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 3czj_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGTES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.062 176.300 -0.397 0.000 0.893 13 R CA 0.000 55.950 56.100 -0.250 0.000 0.921 13 R CB 0.000 30.156 30.300 -0.240 0.000 0.687 14 R N 1.731 121.903 120.500 -0.547 0.000 3.436 14 R HA 0.175 4.522 4.340 0.012 0.000 0.247 14 R C 0.097 175.848 176.300 -0.915 0.000 1.434 14 R CA -0.422 54.991 56.100 -1.145 0.000 1.543 14 R CB 0.378 30.116 30.300 -0.936 0.000 1.289 14 R HN 0.436 nan 8.270 nan 0.000 0.664 15 D N 1.001 121.018 120.400 -0.638 0.000 2.265 15 D HA -0.194 4.453 4.640 0.012 0.000 0.208 15 D C 1.266 177.457 176.300 -0.181 0.000 0.977 15 D CA 1.171 54.908 54.000 -0.437 0.000 0.871 15 D CB 0.137 40.502 40.800 -0.724 0.000 0.925 15 D HN 0.643 nan 8.370 nan 0.000 0.485 16 W N 1.171 122.484 121.300 0.021 0.000 3.180 16 W HA 0.224 4.891 4.660 0.012 0.000 0.254 16 W C 0.578 177.197 176.519 0.167 0.000 1.318 16 W CA -0.253 57.215 57.345 0.205 0.000 1.608 16 W CB -0.236 29.387 29.460 0.272 0.000 1.124 16 W HN -0.188 nan 8.180 nan 0.000 0.694 17 E N 0.939 121.058 120.200 -0.135 0.000 3.105 17 E HA 0.041 4.399 4.350 0.012 0.000 0.198 17 E C -0.632 175.834 176.600 -0.224 0.000 0.976 17 E CA -0.188 56.153 56.400 -0.097 0.000 1.219 17 E CB -0.134 29.509 29.700 -0.094 0.000 1.081 17 E HN 0.009 nan 8.360 nan 0.000 0.464 18 N N 1.407 120.000 118.700 -0.177 0.000 2.577 18 N HA 0.135 4.883 4.740 0.012 0.000 0.275 18 N C -2.213 173.155 175.510 -0.237 0.000 1.091 18 N CA -2.059 50.847 53.050 -0.240 0.000 0.843 18 N CB 1.573 39.931 38.487 -0.216 0.000 1.295 18 N HN -0.156 nan 8.380 nan 0.000 0.530 19 P HA 0.048 nan 4.420 nan 0.000 0.234 19 P C 0.926 177.993 177.300 -0.389 0.000 1.167 19 P CA 0.519 63.283 63.100 -0.559 0.000 0.763 19 P CB 0.181 31.035 31.700 -1.409 0.000 0.835 20 G N -0.307 108.310 108.800 -0.305 0.000 2.777 20 G HA2 0.088 4.055 3.960 0.012 0.000 0.211 20 G HA3 0.088 4.055 3.960 0.012 0.000 0.211 20 G C 0.354 175.181 174.900 -0.123 0.000 1.149 20 G CA 0.142 45.115 45.100 -0.211 0.000 0.785 20 G HN 0.198 nan 8.290 nan 0.000 0.536 21 V N 1.934 121.794 119.914 -0.090 0.000 2.305 21 V HA 0.268 4.395 4.120 0.012 0.000 0.275 21 V C 0.862 177.018 176.094 0.104 0.000 1.020 21 V CA 0.095 62.394 62.300 -0.002 0.000 0.811 21 V CB 0.973 32.777 31.823 -0.032 0.000 1.031 21 V HN 0.316 nan 8.190 nan 0.000 0.439 22 T N 0.406 115.008 114.554 0.081 0.000 3.069 22 T HA 0.373 4.730 4.350 0.012 0.000 0.252 22 T C 0.290 175.022 174.700 0.054 0.000 1.053 22 T CA 0.129 62.277 62.100 0.079 0.000 0.964 22 T CB 0.268 69.143 68.868 0.011 0.000 1.005 22 T HN 0.698 nan 8.240 nan 0.000 0.532 23 Q N 0.221 120.101 119.800 0.133 0.000 2.848 23 Q HA 0.643 4.990 4.340 0.012 0.000 0.288 23 Q C -2.364 173.756 176.000 0.200 0.000 0.907 23 Q CA -1.041 54.829 55.803 0.111 0.000 0.792 23 Q CB 0.644 29.369 28.738 -0.022 0.000 1.534 23 Q HN 0.221 nan 8.270 nan 0.000 0.419 24 L N 1.694 123.054 121.223 0.229 0.000 2.516 24 L HA 0.572 4.919 4.340 0.012 0.000 0.267 24 L C -0.690 176.298 176.870 0.197 0.000 0.957 24 L CA -0.887 54.105 54.840 0.253 0.000 0.860 24 L CB 1.948 44.277 42.059 0.450 0.000 1.265 24 L HN 0.862 nan 8.230 nan 0.000 0.403 25 N N 0.963 119.745 118.700 0.137 0.000 2.741 25 N HA -0.214 4.534 4.740 0.012 0.000 0.251 25 N C 0.203 175.762 175.510 0.081 0.000 1.112 25 N CA 0.867 53.984 53.050 0.111 0.000 0.750 25 N CB -0.777 37.748 38.487 0.063 0.000 1.119 25 N HN 0.669 nan 8.380 nan 0.000 0.561 26 R N 0.963 121.419 120.500 -0.074 0.000 2.390 26 R HA 0.388 4.736 4.340 0.012 0.000 0.291 26 R C 0.518 176.658 176.300 -0.266 0.000 1.070 26 R CA -0.386 55.444 56.100 -0.450 0.000 1.014 26 R CB 0.550 30.585 30.300 -0.442 0.000 1.007 26 R HN 0.125 nan 8.270 nan 0.000 0.466 27 L N 3.070 124.116 121.223 -0.295 0.000 2.464 27 L HA 0.275 4.622 4.340 0.012 0.000 0.264 27 L C 0.683 177.493 176.870 -0.100 0.000 1.199 27 L CA -0.488 54.277 54.840 -0.124 0.000 0.818 27 L CB 0.766 42.789 42.059 -0.060 0.000 1.102 27 L HN 0.784 nan 8.230 nan 0.000 0.473 28 A N 1.509 124.311 122.820 -0.029 0.000 2.483 28 A HA 0.488 4.815 4.320 0.012 0.000 0.238 28 A C 0.311 177.880 177.584 -0.024 0.000 1.070 28 A CA -0.008 52.017 52.037 -0.020 0.000 0.770 28 A CB 0.198 19.210 19.000 0.021 0.000 1.008 28 A HN 0.797 nan 8.150 nan 0.000 0.497 29 A N 1.377 124.143 122.820 -0.090 0.000 2.332 29 A HA 0.666 4.993 4.320 0.012 0.000 0.258 29 A C 0.116 177.598 177.584 -0.170 0.000 1.087 29 A CA 0.490 52.403 52.037 -0.208 0.000 0.802 29 A CB -0.076 18.811 19.000 -0.188 0.000 1.042 29 A HN 1.887 nan 8.150 nan 0.000 0.489 30 H N -2.221 116.698 119.070 -0.252 0.000 2.932 30 H HA 0.651 5.214 4.556 0.012 0.000 0.307 30 H C -3.438 171.602 175.328 -0.480 0.000 1.391 30 H CA -1.908 53.920 56.048 -0.367 0.000 1.130 30 H CB 0.012 29.446 29.762 -0.546 0.000 1.836 30 H HN 0.362 nan 8.280 nan 0.000 0.522 31 P HA 0.208 nan 4.420 nan 0.000 0.272 31 P C -2.583 174.565 177.300 -0.252 0.000 1.240 31 P CA -1.263 61.641 63.100 -0.327 0.000 0.791 31 P CB -0.090 31.315 31.700 -0.492 0.000 0.978 32 P HA -0.007 nan 4.420 nan 0.000 0.260 32 P C -0.860 176.651 177.300 0.351 0.000 1.172 32 P CA 1.141 64.296 63.100 0.093 0.000 0.760 32 P CB -0.082 31.715 31.700 0.162 0.000 0.773 33 F N 1.960 122.020 119.950 0.183 0.000 2.556 33 F HA 0.650 5.185 4.527 0.012 0.000 0.327 33 F C 0.967 176.706 175.800 -0.102 0.000 1.059 33 F CA -1.426 56.617 58.000 0.072 0.000 0.953 33 F CB 1.326 40.316 39.000 -0.016 0.000 1.227 33 F HN 0.301 nan 8.300 nan 0.000 0.478 34 A N -0.054 122.694 122.820 -0.120 0.000 2.644 34 A HA 0.309 4.636 4.320 0.012 0.000 0.193 34 A C 0.588 177.848 177.584 -0.540 0.000 1.464 34 A CA 0.609 52.323 52.037 -0.539 0.000 1.095 34 A CB -0.383 17.791 19.000 -1.375 0.000 1.405 34 A HN 0.856 nan 8.150 nan 0.000 0.558 35 S N 0.598 116.101 115.700 -0.329 0.000 3.447 35 S HA -0.152 4.326 4.470 0.012 0.000 0.371 35 S C -0.041 174.476 174.600 -0.138 0.000 0.951 35 S CA 0.459 58.534 58.200 -0.209 0.000 1.269 35 S CB -1.538 61.547 63.200 -0.191 0.000 0.919 35 S HN 0.458 nan 8.310 nan 0.000 0.516 36 W N 2.079 123.360 121.300 -0.031 0.000 2.181 36 W HA 0.241 4.908 4.660 0.012 0.000 0.335 36 W C 1.312 177.810 176.519 -0.034 0.000 1.310 36 W CA -0.583 56.749 57.345 -0.021 0.000 1.226 36 W CB 0.280 29.728 29.460 -0.020 0.000 1.155 36 W HN 0.354 nan 8.180 nan 0.000 0.565 37 R N 1.979 122.599 120.500 0.200 0.000 2.546 37 R HA 0.084 4.431 4.340 0.012 0.000 0.320 37 R C -0.065 176.290 176.300 0.092 0.000 1.021 37 R CA -0.108 56.053 56.100 0.103 0.000 1.088 37 R CB -0.240 30.091 30.300 0.051 0.000 1.278 37 R HN 0.365 nan 8.270 nan 0.000 0.557 38 N N -0.004 118.768 118.700 0.121 0.000 2.454 38 N HA 0.103 4.851 4.740 0.012 0.000 0.291 38 N C -0.123 175.372 175.510 -0.025 0.000 1.079 38 N CA 0.005 53.080 53.050 0.042 0.000 0.893 38 N CB 1.772 40.282 38.487 0.038 0.000 1.512 38 N HN -0.253 nan 8.380 nan 0.000 0.497 39 S N 2.216 117.879 115.700 -0.062 0.000 2.399 39 S HA -0.156 4.322 4.470 0.012 0.000 0.231 39 S C 1.390 175.836 174.600 -0.257 0.000 1.022 39 S CA 1.083 59.203 58.200 -0.132 0.000 0.983 39 S CB 0.024 63.175 63.200 -0.081 0.000 0.803 39 S HN 0.712 nan 8.310 nan 0.000 0.480 40 E N 1.596 121.661 120.200 -0.225 0.000 2.106 40 E HA -0.113 4.244 4.350 0.012 0.000 0.192 40 E C 1.826 178.224 176.600 -0.337 0.000 0.984 40 E CA 1.053 57.281 56.400 -0.286 0.000 0.806 40 E CB -0.156 29.429 29.700 -0.191 0.000 0.750 40 E HN 0.277 nan 8.360 nan 0.000 0.458 41 E N -0.116 119.900 120.200 -0.306 0.000 2.208 41 E HA -0.054 4.303 4.350 0.012 0.000 0.193 41 E C 1.833 177.866 176.600 -0.946 0.000 0.988 41 E CA 0.954 57.133 56.400 -0.367 0.000 0.828 41 E CB -0.286 29.367 29.700 -0.079 0.000 0.763 41 E HN 0.359 nan 8.360 nan 0.000 0.478 42 A N 1.350 123.484 122.820 -1.143 0.000 1.897 42 A HA -0.131 4.196 4.320 0.012 0.000 0.215 42 A C 2.237 179.247 177.584 -0.957 0.000 1.181 42 A CA 1.345 52.396 52.037 -1.644 0.000 0.620 42 A CB -0.386 18.125 19.000 -0.816 0.000 0.821 42 A HN 0.120 nan 8.150 nan 0.000 0.443 43 R N -0.048 120.064 120.500 -0.646 0.000 2.080 43 R HA -0.149 4.198 4.340 0.012 0.000 0.236 43 R C 2.146 178.190 176.300 -0.428 0.000 1.137 43 R CA 2.278 58.045 56.100 -0.554 0.000 0.943 43 R CB -0.601 29.246 30.300 -0.755 0.000 0.846 43 R HN 0.609 nan 8.270 nan 0.000 0.431 44 T N -2.231 112.087 114.554 -0.393 0.000 3.160 44 T HA -0.037 4.320 4.350 0.012 0.000 0.257 44 T C 0.453 175.047 174.700 -0.177 0.000 1.147 44 T CA 0.817 62.771 62.100 -0.244 0.000 1.064 44 T CB -0.179 68.575 68.868 -0.191 0.000 0.949 44 T HN 0.483 nan 8.240 nan 0.000 0.526 45 D N 0.566 120.797 120.400 -0.282 0.000 2.837 45 D HA -0.178 4.469 4.640 0.012 0.000 0.230 45 D C 0.167 176.548 176.300 0.135 0.000 1.152 45 D CA 0.485 54.435 54.000 -0.083 0.000 0.736 45 D CB -1.122 39.702 40.800 0.040 0.000 1.084 45 D HN 0.591 nan 8.370 nan 0.000 0.429 46 R N -0.186 120.363 120.500 0.082 0.000 2.652 46 R HA 0.467 4.814 4.340 0.012 0.000 0.271 46 R C -2.031 174.504 176.300 0.392 0.000 1.129 46 R CA -1.281 54.927 56.100 0.179 0.000 1.200 46 R CB 0.086 30.442 30.300 0.093 0.000 1.146 46 R HN 0.084 nan 8.270 nan 0.000 0.581 47 P HA -0.057 nan 4.420 nan 0.000 0.269 47 P C -0.913 176.567 177.300 0.299 0.000 1.217 47 P CA 0.336 63.586 63.100 0.250 0.000 0.783 47 P CB 0.657 32.449 31.700 0.154 0.000 0.898 48 S N 0.948 116.705 115.700 0.094 0.000 2.473 48 S HA 0.149 4.626 4.470 0.012 0.000 0.307 48 S C 0.823 175.432 174.600 0.015 0.000 1.094 48 S CA -0.564 57.603 58.200 -0.055 0.000 1.070 48 S CB 0.585 63.400 63.200 -0.642 0.000 1.019 48 S HN 0.195 nan 8.310 nan 0.000 0.480 49 Q N 2.773 122.617 119.800 0.074 0.000 2.364 49 Q HA -0.042 4.305 4.340 0.012 0.000 0.207 49 Q C 0.974 177.089 176.000 0.191 0.000 0.970 49 Q CA 1.229 57.113 55.803 0.134 0.000 0.888 49 Q CB -0.191 28.624 28.738 0.129 0.000 0.951 49 Q HN 0.695 nan 8.270 nan 0.000 0.469 50 Q N -0.324 119.493 119.800 0.029 0.000 2.403 50 Q HA 0.132 4.479 4.340 0.012 0.000 0.203 50 Q C -0.247 175.770 176.000 0.028 0.000 0.932 50 Q CA 0.140 55.893 55.803 -0.083 0.000 0.945 50 Q CB 0.399 29.018 28.738 -0.199 0.000 1.045 50 Q HN 0.068 nan 8.270 nan 0.000 0.511 51 L N 0.744 122.023 121.223 0.094 0.000 2.388 51 L HA 0.425 4.772 4.340 0.012 0.000 0.267 51 L C -1.150 175.814 176.870 0.156 0.000 0.995 51 L CA -0.371 54.533 54.840 0.107 0.000 0.864 51 L CB 0.963 42.996 42.059 -0.042 0.000 1.216 51 L HN -0.114 nan 8.230 nan 0.000 0.430 52 R N 2.173 122.808 120.500 0.226 0.000 2.598 52 R HA 0.640 4.988 4.340 0.012 0.000 0.279 52 R C -0.431 175.896 176.300 0.046 0.000 0.984 52 R CA -0.673 55.494 56.100 0.112 0.000 0.999 52 R CB 1.829 32.152 30.300 0.038 0.000 1.114 52 R HN 0.626 nan 8.270 nan 0.000 0.493 53 S N 1.837 117.550 115.700 0.022 0.000 2.462 53 S HA 0.302 4.779 4.470 0.012 0.000 0.294 53 S C 0.456 175.049 174.600 -0.011 0.000 1.144 53 S CA -0.730 57.473 58.200 0.006 0.000 1.088 53 S CB 0.591 63.808 63.200 0.028 0.000 1.009 53 S HN 0.566 nan 8.310 nan 0.000 0.484 54 L N 3.544 124.755 121.223 -0.021 0.000 2.818 54 L HA 0.309 4.657 4.340 0.012 0.000 0.243 54 L C 0.116 177.109 176.870 0.205 0.000 1.185 54 L CA -0.362 54.474 54.840 -0.006 0.000 0.988 54 L CB -0.338 41.642 42.059 -0.131 0.000 1.292 54 L HN 0.523 nan 8.230 nan 0.000 0.519 55 N N 1.266 120.049 118.700 0.139 0.000 2.479 55 N HA 0.486 5.233 4.740 0.012 0.000 0.257 55 N C 0.638 176.268 175.510 0.201 0.000 1.232 55 N CA 0.947 54.092 53.050 0.159 0.000 0.920 55 N CB 1.343 39.865 38.487 0.058 0.000 1.105 55 N HN 0.302 nan 8.380 nan 0.000 0.444 56 G N 0.472 109.414 108.800 0.237 0.000 2.288 56 G HA2 -0.067 3.900 3.960 0.012 0.000 0.227 56 G HA3 -0.067 3.900 3.960 0.012 0.000 0.227 56 G C -1.596 173.497 174.900 0.322 0.000 1.339 56 G CA -0.786 44.444 45.100 0.216 0.000 1.057 56 G HN 0.460 nan 8.290 nan 0.000 0.470 57 E N 0.037 120.397 120.200 0.267 0.000 2.229 57 E HA 0.460 4.817 4.350 0.012 0.000 0.283 57 E C -0.974 175.865 176.600 0.398 0.000 1.030 57 E CA -0.127 56.441 56.400 0.280 0.000 0.836 57 E CB 1.185 30.977 29.700 0.154 0.000 1.068 57 E HN 0.352 nan 8.360 nan 0.000 0.401 58 W N 1.509 122.887 121.300 0.130 0.000 2.958 58 W HA 0.399 5.066 4.660 0.012 0.000 0.339 58 W C 0.145 176.778 176.519 0.189 0.000 1.174 58 W CA -0.719 56.736 57.345 0.184 0.000 1.064 58 W CB 0.808 30.433 29.460 0.277 0.000 1.471 58 W HN 0.172 nan 8.180 nan 0.000 0.599 59 R N 1.437 122.222 120.500 0.474 0.000 2.460 59 R HA 0.564 4.911 4.340 0.012 0.000 0.303 59 R C -1.555 174.987 176.300 0.403 0.000 0.968 59 R CA -0.912 55.392 56.100 0.341 0.000 0.889 59 R CB 1.284 31.734 30.300 0.249 0.000 1.123 59 R HN 0.441 nan 8.270 nan 0.000 0.455 60 F N 0.632 120.609 119.950 0.046 0.000 2.578 60 F HA 0.666 5.201 4.527 0.012 0.000 0.311 60 F C -1.458 174.177 175.800 -0.274 0.000 1.094 60 F CA -0.672 57.209 58.000 -0.199 0.000 0.923 60 F CB 2.034 40.791 39.000 -0.405 0.000 1.230 60 F HN 0.610 nan 8.300 nan 0.000 0.450 61 A N 4.539 126.562 122.820 -1.329 0.000 2.422 61 A HA 0.565 4.892 4.320 0.012 0.000 0.302 61 A C -2.398 174.252 177.584 -1.557 0.000 1.041 61 A CA -0.505 50.873 52.037 -1.099 0.000 0.708 61 A CB 0.687 19.357 19.000 -0.549 0.000 1.257 61 A HN 0.929 nan 8.150 nan 0.000 0.414 62 W N 2.754 123.195 121.300 -1.433 0.000 2.469 62 W HA 0.748 5.415 4.660 0.012 0.000 0.320 62 W C -1.794 174.094 176.519 -1.051 0.000 1.086 62 W CA -0.324 56.339 57.345 -1.137 0.000 1.211 62 W CB 1.063 30.105 29.460 -0.696 0.000 1.298 62 W HN 0.491 nan 8.180 nan 0.000 0.525 63 F N 6.563 125.775 119.950 -1.231 0.000 2.576 63 F HA 0.353 4.887 4.527 0.012 0.000 0.313 63 F C -1.221 173.661 175.800 -1.529 0.000 1.078 63 F CA -2.206 55.197 58.000 -0.994 0.000 0.921 63 F CB 1.994 40.585 39.000 -0.682 0.000 1.232 63 F HN 0.224 nan 8.300 nan 0.000 0.459 64 P HA 0.077 nan 4.420 nan 0.000 0.229 64 P C -0.277 176.880 177.300 -0.238 0.000 1.160 64 P CA 0.884 63.711 63.100 -0.455 0.000 0.777 64 P CB 0.756 32.467 31.700 0.019 0.000 0.814 65 A N -0.264 122.422 122.820 -0.224 0.000 2.608 65 A HA 0.501 4.829 4.320 0.012 0.000 0.292 65 A C -2.416 175.044 177.584 -0.206 0.000 1.066 65 A CA -1.026 50.923 52.037 -0.146 0.000 0.676 65 A CB 0.530 19.511 19.000 -0.031 0.000 1.277 65 A HN -0.269 nan 8.150 nan 0.000 0.413 66 P HA -0.135 nan 4.420 nan 0.000 0.220 66 P C 0.519 177.712 177.300 -0.178 0.000 1.148 66 P CA 1.481 64.430 63.100 -0.252 0.000 0.803 66 P CB 0.249 31.750 31.700 -0.330 0.000 0.782 67 E N -0.061 120.090 120.200 -0.082 0.000 2.511 67 E HA 0.073 4.430 4.350 0.012 0.000 0.196 67 E C 1.874 178.407 176.600 -0.112 0.000 1.066 67 E CA 0.661 57.029 56.400 -0.053 0.000 0.871 67 E CB -0.533 29.177 29.700 0.017 0.000 0.863 67 E HN 0.262 nan 8.360 nan 0.000 0.520 68 A N 0.328 123.042 122.820 -0.176 0.000 2.308 68 A HA 0.143 4.471 4.320 0.012 0.000 0.217 68 A C 0.607 177.911 177.584 -0.467 0.000 1.216 68 A CA -0.222 51.718 52.037 -0.162 0.000 0.864 68 A CB 0.441 19.440 19.000 -0.002 0.000 0.902 68 A HN 0.053 nan 8.150 nan 0.000 0.499 69 V N 3.619 123.106 119.914 -0.712 0.000 2.455 69 V HA 0.203 4.330 4.120 0.012 0.000 0.273 69 V C -2.020 173.748 176.094 -0.543 0.000 1.045 69 V CA -1.514 60.121 62.300 -1.107 0.000 0.976 69 V CB 0.770 32.004 31.823 -0.982 0.000 0.993 69 V HN 0.370 nan 8.190 nan 0.000 0.475 70 P HA 0.185 nan 4.420 nan 0.000 0.271 70 P C 0.217 177.466 177.300 -0.085 0.000 1.216 70 P CA -0.240 62.764 63.100 -0.159 0.000 0.771 70 P CB 1.467 33.131 31.700 -0.060 0.000 0.864 71 E N 1.540 121.696 120.200 -0.073 0.000 2.265 71 E HA -0.153 4.204 4.350 0.012 0.000 0.196 71 E C 1.968 178.532 176.600 -0.060 0.000 0.996 71 E CA 1.607 57.962 56.400 -0.075 0.000 0.832 71 E CB -0.551 29.110 29.700 -0.065 0.000 0.756 71 E HN 0.568 nan 8.360 nan 0.000 0.491 72 S N -0.727 114.962 115.700 -0.019 0.000 2.419 72 S HA -0.195 4.282 4.470 0.012 0.000 0.233 72 S C 1.859 176.461 174.600 0.003 0.000 1.016 72 S CA 0.772 58.966 58.200 -0.010 0.000 0.974 72 S CB -0.743 62.466 63.200 0.015 0.000 0.786 72 S HN 0.558 nan 8.310 nan 0.000 0.492 73 W N 2.327 123.534 121.300 -0.155 0.000 2.392 73 W HA 0.099 4.766 4.660 0.012 0.000 0.279 73 W C 1.521 177.927 176.519 -0.187 0.000 1.225 73 W CA 0.682 57.934 57.345 -0.155 0.000 1.233 73 W CB -0.337 29.001 29.460 -0.202 0.000 1.122 73 W HN 0.276 nan 8.180 nan 0.000 0.561 74 L N 0.155 121.102 121.223 -0.460 0.000 2.275 74 L HA -0.085 4.263 4.340 0.012 0.000 0.215 74 L C 1.488 178.098 176.870 -0.434 0.000 1.119 74 L CA 1.404 55.825 54.840 -0.700 0.000 0.790 74 L CB -0.450 41.232 42.059 -0.629 0.000 0.919 74 L HN 0.015 nan 8.230 nan 0.000 0.443 75 E N -2.140 117.900 120.200 -0.267 0.000 2.715 75 E HA 0.148 4.505 4.350 0.012 0.000 0.224 75 E C -0.557 175.972 176.600 -0.120 0.000 0.962 75 E CA -0.177 56.127 56.400 -0.159 0.000 1.145 75 E CB 1.183 30.827 29.700 -0.093 0.000 1.083 75 E HN 0.210 nan 8.360 nan 0.000 0.506 76 C N 1.170 120.393 119.300 -0.129 0.000 2.931 76 C HA 0.196 4.663 4.460 0.012 0.000 0.370 76 C C -1.149 173.829 174.990 -0.020 0.000 1.071 76 C CA -0.981 58.001 59.018 -0.060 0.000 1.266 76 C CB 0.863 28.587 27.740 -0.027 0.000 1.691 76 C HN 0.381 nan 8.230 nan 0.000 0.511 77 D N 3.316 123.721 120.400 0.008 0.000 2.488 77 D HA 0.237 4.885 4.640 0.012 0.000 0.238 77 D C -0.207 176.160 176.300 0.111 0.000 1.138 77 D CA 0.431 54.477 54.000 0.077 0.000 0.873 77 D CB 0.681 41.519 40.800 0.063 0.000 1.183 77 D HN 0.588 nan 8.370 nan 0.000 0.458 78 L N 5.860 127.191 121.223 0.180 0.000 2.313 78 L HA 0.221 4.568 4.340 0.012 0.000 0.282 78 L C -1.377 175.544 176.870 0.085 0.000 1.092 78 L CA -1.569 53.355 54.840 0.140 0.000 0.831 78 L CB 1.182 43.343 42.059 0.169 0.000 1.159 78 L HN 0.502 nan 8.230 nan 0.000 0.442 79 P HA -0.205 nan 4.420 nan 0.000 0.216 79 P C 1.146 178.464 177.300 0.031 0.000 1.150 79 P CA 0.993 64.118 63.100 0.041 0.000 0.837 79 P CB 0.136 31.855 31.700 0.032 0.000 0.786 80 E N -0.243 119.969 120.200 0.020 0.000 2.418 80 E HA -0.019 4.338 4.350 0.012 0.000 0.197 80 E C 0.809 177.400 176.600 -0.015 0.000 1.026 80 E CA 0.306 56.703 56.400 -0.004 0.000 0.862 80 E CB -0.850 28.833 29.700 -0.029 0.000 0.799 80 E HN 0.079 nan 8.360 nan 0.000 0.518 81 A N 1.526 124.344 122.820 -0.002 0.000 2.406 81 A HA 0.147 4.474 4.320 0.012 0.000 0.243 81 A C -0.145 177.469 177.584 0.050 0.000 1.082 81 A CA -0.143 51.889 52.037 -0.009 0.000 0.786 81 A CB 0.319 19.338 19.000 0.032 0.000 1.029 81 A HN 0.057 nan 8.150 nan 0.000 0.495 82 D N -0.142 120.313 120.400 0.091 0.000 2.340 82 D HA 0.481 5.128 4.640 0.012 0.000 0.243 82 D C -0.637 175.757 176.300 0.158 0.000 0.988 82 D CA -0.011 54.070 54.000 0.136 0.000 0.959 82 D CB 1.453 42.379 40.800 0.211 0.000 1.226 82 D HN 0.393 nan 8.370 nan 0.000 0.509 83 T N 0.651 115.282 114.554 0.127 0.000 2.728 83 T HA 0.467 4.824 4.350 0.012 0.000 0.296 83 T C 0.195 174.960 174.700 0.109 0.000 0.940 83 T CA -0.548 61.633 62.100 0.135 0.000 1.013 83 T CB 0.483 69.410 68.868 0.098 0.000 0.912 83 T HN 0.258 nan 8.240 nan 0.000 0.484 84 V N 1.424 121.427 119.914 0.148 0.000 3.040 84 V HA 0.791 4.918 4.120 0.012 0.000 0.312 84 V C -0.225 175.945 176.094 0.127 0.000 1.115 84 V CA -1.074 61.256 62.300 0.049 0.000 0.998 84 V CB 1.700 33.528 31.823 0.009 0.000 1.042 84 V HN 0.504 nan 8.190 nan 0.000 0.433 85 V N 2.597 122.552 119.914 0.067 0.000 2.649 85 V HA 0.521 4.649 4.120 0.012 0.000 0.292 85 V C 0.097 176.242 176.094 0.086 0.000 1.055 85 V CA -0.082 62.278 62.300 0.100 0.000 1.023 85 V CB 1.327 33.176 31.823 0.043 0.000 0.992 85 V HN 0.770 nan 8.190 nan 0.000 0.480 86 V N 6.483 126.388 119.914 -0.015 0.000 2.656 86 V HA 0.459 4.586 4.120 0.012 0.000 0.307 86 V C -2.236 173.758 176.094 -0.166 0.000 1.051 86 V CA -1.679 60.482 62.300 -0.231 0.000 0.893 86 V CB 2.462 33.781 31.823 -0.840 0.000 0.999 86 V HN 0.768 nan 8.190 nan 0.000 0.426 87 P HA 0.375 nan 4.420 nan 0.000 0.272 87 P C -0.682 176.546 177.300 -0.120 0.000 1.230 87 P CA 0.062 63.046 63.100 -0.193 0.000 0.788 87 P CB 1.380 32.975 31.700 -0.176 0.000 0.949 88 S N 0.002 115.645 115.700 -0.095 0.000 2.633 88 S HA 0.312 4.789 4.470 0.012 0.000 0.271 88 S C -1.419 173.115 174.600 -0.110 0.000 1.112 88 S CA -1.085 57.045 58.200 -0.117 0.000 0.828 88 S CB -0.009 63.124 63.200 -0.111 0.000 1.086 88 S HN 0.416 nan 8.310 nan 0.000 0.461 89 N N 1.065 119.629 118.700 -0.228 0.000 2.408 89 N HA 0.469 5.216 4.740 0.012 0.000 0.280 89 N C 0.516 175.858 175.510 -0.280 0.000 1.002 89 N CA -0.810 52.073 53.050 -0.277 0.000 0.907 89 N CB 0.643 38.929 38.487 -0.335 0.000 1.161 89 N HN 0.859 nan 8.380 nan 0.000 0.488 90 W N 2.053 123.240 121.300 -0.189 0.000 2.468 90 W HA -0.028 4.640 4.660 0.013 0.000 0.262 90 W C 0.822 177.330 176.519 -0.017 0.000 1.241 90 W CA 0.477 57.732 57.345 -0.150 0.000 1.232 90 W CB -0.356 29.001 29.460 -0.172 0.000 1.124 90 W HN 0.494 nan 8.180 nan 0.000 0.597 91 Q N 0.507 120.291 119.800 -0.026 0.000 2.230 91 Q HA -0.068 4.279 4.340 0.012 0.000 0.202 91 Q C 2.127 178.055 176.000 -0.120 0.000 0.963 91 Q CA 1.490 57.269 55.803 -0.041 0.000 0.866 91 Q CB -0.512 28.089 28.738 -0.229 0.000 0.931 91 Q HN 0.275 nan 8.270 nan 0.000 0.452 92 M N -0.472 119.003 119.600 -0.209 0.000 2.562 92 M HA -0.024 4.464 4.480 0.012 0.000 0.257 92 M C 0.586 176.840 176.300 -0.077 0.000 1.099 92 M CA 1.113 56.289 55.300 -0.207 0.000 1.099 92 M CB -0.257 32.177 32.600 -0.277 0.000 1.427 92 M HN 0.215 nan 8.290 nan 0.000 0.489 93 H N -0.538 118.535 119.070 0.005 0.000 2.586 93 H HA 0.386 4.950 4.556 0.012 0.000 0.273 93 H C 1.535 176.715 175.328 -0.247 0.000 0.997 93 H CA 0.494 56.511 56.048 -0.052 0.000 1.177 93 H CB 0.134 29.956 29.762 0.101 0.000 1.471 93 H HN 0.486 nan 8.280 nan 0.000 0.538 94 G N 0.506 109.271 108.800 -0.058 0.000 2.157 94 G HA2 -0.364 3.603 3.960 0.012 0.000 0.248 94 G HA3 -0.364 3.603 3.960 0.012 0.000 0.248 94 G C 0.707 175.452 174.900 -0.259 0.000 0.979 94 G CA 0.406 45.415 45.100 -0.150 0.000 0.650 94 G HN 0.409 nan 8.290 nan 0.000 0.529 95 Y N 1.661 121.964 120.300 0.005 0.000 2.274 95 Y HA 0.235 4.792 4.550 0.012 0.000 0.290 95 Y C 1.687 177.313 175.900 -0.457 0.000 1.145 95 Y CA 1.756 59.729 58.100 -0.211 0.000 1.203 95 Y CB 0.130 38.541 38.460 -0.081 0.000 0.984 95 Y HN 0.699 nan 8.280 nan 0.000 0.533 96 D N -2.373 118.035 120.400 0.012 0.000 2.665 96 D HA 0.495 5.142 4.640 0.012 0.000 0.287 96 D C -1.222 175.138 176.300 0.100 0.000 1.266 96 D CA -0.788 53.217 54.000 0.008 0.000 0.830 96 D CB 0.707 41.615 40.800 0.180 0.000 1.356 96 D HN -0.040 nan 8.370 nan 0.000 0.437 97 A N 0.165 123.056 122.820 0.118 0.000 2.331 97 A HA 0.679 5.006 4.320 0.012 0.000 0.283 97 A C -2.273 175.343 177.584 0.054 0.000 1.142 97 A CA -1.151 50.947 52.037 0.102 0.000 0.812 97 A CB 0.096 19.212 19.000 0.194 0.000 1.074 97 A HN 0.541 nan 8.150 nan 0.000 0.497 98 P HA 0.427 nan 4.420 nan 0.000 0.278 98 P C -0.918 176.529 177.300 0.244 0.000 1.238 98 P CA 0.023 63.058 63.100 -0.108 0.000 0.794 98 P CB 0.970 32.330 31.700 -0.566 0.000 0.955 99 I N 2.862 123.670 120.570 0.395 0.000 2.404 99 I HA 0.248 4.426 4.170 0.012 0.000 0.293 99 I C -0.454 175.866 176.117 0.338 0.000 0.992 99 I CA -0.994 60.550 61.300 0.406 0.000 1.149 99 I CB 1.501 39.679 38.000 0.296 0.000 1.315 99 I HN 0.308 nan 8.210 nan 0.000 0.446 100 Y N 6.126 126.391 120.300 -0.058 0.000 2.491 100 Y HA 0.502 5.059 4.550 0.012 0.000 0.334 100 Y C -0.331 175.423 175.900 -0.244 0.000 0.969 100 Y CA -0.596 57.193 58.100 -0.518 0.000 1.241 100 Y CB 1.157 38.820 38.460 -1.327 0.000 1.105 100 Y HN 0.537 nan 8.280 nan 0.000 0.503 101 T N 5.337 119.392 114.554 -0.832 0.000 2.886 101 T HA 0.273 4.630 4.350 0.012 0.000 0.292 101 T C 0.219 174.505 174.700 -0.691 0.000 1.012 101 T CA -0.543 61.112 62.100 -0.742 0.000 0.982 101 T CB 1.108 69.773 68.868 -0.339 0.000 1.018 101 T HN 0.911 nan 8.240 nan 0.000 0.451 102 N N 2.624 120.957 118.700 -0.611 0.000 2.174 102 N HA -0.022 4.726 4.740 0.012 0.000 0.191 102 N C 1.485 176.789 175.510 -0.343 0.000 1.059 102 N CA 0.833 53.686 53.050 -0.328 0.000 0.889 102 N CB 0.071 38.415 38.487 -0.239 0.000 1.069 102 N HN 0.373 nan 8.380 nan 0.000 0.461 103 V N 0.621 120.259 119.914 -0.460 0.000 2.374 103 V HA -0.002 4.125 4.120 0.012 0.000 0.241 103 V C 0.662 176.471 176.094 -0.474 0.000 1.034 103 V CA 0.917 62.865 62.300 -0.587 0.000 1.037 103 V CB -0.447 30.910 31.823 -0.776 0.000 0.682 103 V HN 0.408 nan 8.190 nan 0.000 0.463 104 T N 0.908 115.244 114.554 -0.363 0.000 2.908 104 T HA 0.103 4.460 4.350 0.012 0.000 0.301 104 T C -0.363 174.206 174.700 -0.219 0.000 1.019 104 T CA 0.259 62.213 62.100 -0.243 0.000 1.152 104 T CB -0.227 68.534 68.868 -0.179 0.000 0.966 104 T HN 0.169 nan 8.240 nan 0.000 0.540 105 Y N 4.987 125.201 120.300 -0.145 0.000 2.578 105 Y HA 0.111 4.668 4.550 0.012 0.000 0.339 105 Y C -0.672 175.109 175.900 -0.199 0.000 1.231 105 Y CA -1.560 56.443 58.100 -0.161 0.000 1.461 105 Y CB 0.386 38.748 38.460 -0.163 0.000 1.323 105 Y HN 0.511 nan 8.280 nan 0.000 0.590 106 P HA -0.054 nan 4.420 nan 0.000 0.237 106 P C -0.198 176.886 177.300 -0.359 0.000 1.178 106 P CA 1.249 64.249 63.100 -0.166 0.000 0.766 106 P CB 0.287 31.945 31.700 -0.070 0.000 0.876 107 I N -4.112 116.212 120.570 -0.409 0.000 3.042 107 I HA 0.430 4.608 4.170 0.012 0.000 0.310 107 I C -0.621 175.366 176.117 -0.216 0.000 1.117 107 I CA -1.226 59.814 61.300 -0.434 0.000 1.003 107 I CB 0.878 38.444 38.000 -0.725 0.000 1.228 107 I HN -0.425 nan 8.210 nan 0.000 0.443 108 T N 2.988 117.461 114.554 -0.135 0.000 2.934 108 T HA 0.205 4.562 4.350 0.012 0.000 0.306 108 T C 0.481 175.170 174.700 -0.019 0.000 1.042 108 T CA -0.077 61.996 62.100 -0.046 0.000 1.145 108 T CB 0.269 69.132 68.868 -0.008 0.000 0.982 108 T HN 0.416 nan 8.240 nan 0.000 0.544 109 V N 4.936 124.856 119.914 0.009 0.000 2.341 109 V HA 0.178 4.306 4.120 0.012 0.000 0.248 109 V C 0.737 176.879 176.094 0.081 0.000 1.107 109 V CA -0.112 62.215 62.300 0.045 0.000 1.069 109 V CB -0.484 31.351 31.823 0.019 0.000 1.177 109 V HN 0.846 nan 8.190 nan 0.000 0.492 110 N N 5.958 124.762 118.700 0.173 0.000 2.673 110 N HA 0.255 5.003 4.740 0.012 0.000 0.265 110 N C -2.698 172.875 175.510 0.106 0.000 1.709 110 N CA -1.364 51.773 53.050 0.145 0.000 0.792 110 N CB 1.380 39.988 38.487 0.202 0.000 1.286 110 N HN 0.292 nan 8.380 nan 0.000 0.506 111 P HA 0.106 nan 4.420 nan 0.000 0.264 111 P C -2.177 174.933 177.300 -0.316 0.000 1.183 111 P CA -0.529 62.185 63.100 -0.643 0.000 0.763 111 P CB 0.786 32.009 31.700 -0.796 0.000 0.807 112 P HA 0.198 nan 4.420 nan 0.000 0.263 112 P C -0.347 176.863 177.300 -0.149 0.000 1.448 112 P CA -0.267 62.640 63.100 -0.323 0.000 0.983 112 P CB 0.068 31.549 31.700 -0.365 0.000 1.481 113 F N 1.321 121.388 119.950 0.195 0.000 2.382 113 F HA 0.284 4.818 4.527 0.013 0.000 0.331 113 F C 1.355 177.334 175.800 0.297 0.000 1.121 113 F CA -0.655 57.474 58.000 0.216 0.000 1.183 113 F CB 0.532 39.604 39.000 0.119 0.000 1.207 113 F HN -0.199 nan 8.300 nan 0.000 0.555 114 V N -1.009 119.182 119.914 0.462 0.000 3.155 114 V HA 0.714 4.842 4.120 0.012 0.000 0.313 114 V C -2.820 173.426 176.094 0.254 0.000 1.162 114 V CA -3.004 59.476 62.300 0.299 0.000 1.048 114 V CB 1.386 33.434 31.823 0.375 0.000 1.092 114 V HN 0.492 nan 8.190 nan 0.000 0.447 115 P HA 0.179 nan 4.420 nan 0.000 0.266 115 P C 1.122 178.556 177.300 0.222 0.000 1.195 115 P CA 0.647 63.836 63.100 0.148 0.000 0.768 115 P CB 0.661 32.419 31.700 0.096 0.000 0.838 116 T N -0.811 113.848 114.554 0.176 0.000 2.833 116 T HA -0.145 4.212 4.350 0.012 0.000 0.269 116 T C 0.490 175.290 174.700 0.167 0.000 1.054 116 T CA 0.991 63.196 62.100 0.176 0.000 1.135 116 T CB -0.586 68.353 68.868 0.119 0.000 0.869 116 T HN 0.418 nan 8.240 nan 0.000 0.466 117 E N 2.601 122.901 120.200 0.167 0.000 1.861 117 E HA 0.250 4.607 4.350 0.012 0.000 0.263 117 E C -0.707 176.041 176.600 0.247 0.000 1.137 117 E CA -0.413 56.091 56.400 0.173 0.000 0.944 117 E CB 0.036 29.845 29.700 0.180 0.000 1.092 117 E HN 0.270 nan 8.360 nan 0.000 0.420 118 N N 3.832 122.648 118.700 0.193 0.000 2.564 118 N HA 0.212 4.960 4.740 0.012 0.000 0.248 118 N C -2.800 172.732 175.510 0.037 0.000 0.986 118 N CA -2.601 50.593 53.050 0.240 0.000 0.921 118 N CB 0.974 39.576 38.487 0.191 0.000 1.136 118 N HN 0.018 nan 8.380 nan 0.000 0.509 119 P HA -0.034 nan 4.420 nan 0.000 0.257 119 P C -0.892 176.296 177.300 -0.186 0.000 1.162 119 P CA 0.645 63.697 63.100 -0.080 0.000 0.762 119 P CB 0.321 32.282 31.700 0.435 0.000 0.753 120 T N 3.281 117.465 114.554 -0.617 0.000 2.770 120 T HA 0.514 4.872 4.350 0.012 0.000 0.283 120 T C 0.449 174.673 174.700 -0.794 0.000 0.988 120 T CA -0.526 61.285 62.100 -0.483 0.000 0.957 120 T CB 1.302 69.921 68.868 -0.417 0.000 0.930 120 T HN 0.313 nan 8.240 nan 0.000 0.443 121 G N 1.262 109.696 108.800 -0.609 0.000 2.329 121 G HA2 0.449 4.417 3.960 0.012 0.000 0.309 121 G HA3 0.449 4.417 3.960 0.012 0.000 0.309 121 G C -0.191 174.581 174.900 -0.213 0.000 1.110 121 G CA -0.362 44.341 45.100 -0.662 0.000 0.923 121 G HN 0.853 nan 8.290 nan 0.000 0.430 122 C N 3.577 122.496 119.300 -0.636 0.000 2.203 122 C HA 0.446 4.914 4.460 0.012 0.000 0.325 122 C C -0.377 174.627 174.990 0.024 0.000 1.156 122 C CA -0.990 57.758 59.018 -0.450 0.000 1.597 122 C CB -1.802 25.213 27.740 -1.208 0.000 2.148 122 C HN 0.630 nan 8.230 nan 0.000 0.472 123 Y N 1.823 122.431 120.300 0.513 0.000 2.403 123 Y HA 0.646 5.203 4.550 0.012 0.000 0.323 123 Y C 0.858 177.239 175.900 0.802 0.000 1.226 123 Y CA -0.228 58.289 58.100 0.695 0.000 1.235 123 Y CB 1.273 40.117 38.460 0.640 0.000 1.248 123 Y HN 0.654 nan 8.280 nan 0.000 0.489 124 S N 1.587 117.816 115.700 0.880 0.000 2.537 124 S HA 0.705 5.182 4.470 0.012 0.000 0.271 124 S C -2.016 172.664 174.600 0.133 0.000 1.148 124 S CA -0.816 57.660 58.200 0.460 0.000 0.868 124 S CB 1.772 65.163 63.200 0.318 0.000 1.115 124 S HN 0.604 nan 8.310 nan 0.000 0.461 125 L N 1.430 122.531 121.223 -0.204 0.000 2.476 125 L HA 0.694 5.042 4.340 0.012 0.000 0.269 125 L C -0.933 175.883 176.870 -0.090 0.000 0.965 125 L CA 0.158 54.716 54.840 -0.470 0.000 0.845 125 L CB 2.250 43.473 42.059 -1.394 0.000 1.259 125 L HN 0.913 nan 8.230 nan 0.000 0.403 126 T N 5.859 120.394 114.554 -0.032 0.000 2.744 126 T HA 0.698 5.055 4.350 0.012 0.000 0.291 126 T C -0.705 174.056 174.700 0.102 0.000 0.957 126 T CA 0.037 62.156 62.100 0.032 0.000 1.002 126 T CB 0.205 69.059 68.868 -0.024 0.000 0.919 126 T HN 0.424 nan 8.240 nan 0.000 0.468 127 F N 1.058 120.915 119.950 -0.156 0.000 2.664 127 F HA 0.763 5.297 4.527 0.012 0.000 0.317 127 F C -0.840 174.886 175.800 -0.123 0.000 1.108 127 F CA -1.881 56.029 58.000 -0.151 0.000 0.957 127 F CB 1.049 39.938 39.000 -0.185 0.000 1.365 127 F HN 0.353 nan 8.300 nan 0.000 0.475 128 N N -0.279 118.344 118.700 -0.128 0.000 2.466 128 N HA 0.714 5.462 4.740 0.012 0.000 0.294 128 N C -1.989 173.387 175.510 -0.224 0.000 1.129 128 N CA -0.484 52.431 53.050 -0.226 0.000 0.931 128 N CB 1.909 40.319 38.487 -0.129 0.000 1.193 128 N HN 0.633 nan 8.380 nan 0.000 0.500 129 V N 2.148 121.904 119.914 -0.263 0.000 2.612 129 V HA 0.226 4.353 4.120 0.012 0.000 0.301 129 V C -0.662 175.312 176.094 -0.199 0.000 1.059 129 V CA -1.020 61.132 62.300 -0.247 0.000 0.886 129 V CB 1.458 33.184 31.823 -0.161 0.000 1.007 129 V HN 0.771 nan 8.190 nan 0.000 0.426 130 D N 3.316 123.554 120.400 -0.270 0.000 2.382 130 D HA 0.064 4.711 4.640 0.012 0.000 0.245 130 D C 1.315 177.619 176.300 0.006 0.000 1.120 130 D CA 0.071 53.994 54.000 -0.129 0.000 0.890 130 D CB 1.627 42.349 40.800 -0.130 0.000 1.201 130 D HN 0.849 nan 8.370 nan 0.000 0.433 131 E N 1.298 121.514 120.200 0.026 0.000 2.130 131 E HA -0.273 4.084 4.350 0.012 0.000 0.196 131 E C 1.652 178.321 176.600 0.116 0.000 0.998 131 E CA 1.645 58.082 56.400 0.062 0.000 0.806 131 E CB -0.294 29.427 29.700 0.035 0.000 0.738 131 E HN 0.433 nan 8.360 nan 0.000 0.459 132 S N 0.227 116.006 115.700 0.131 0.000 2.402 132 S HA -0.197 4.280 4.470 0.012 0.000 0.233 132 S C 1.524 176.225 174.600 0.168 0.000 1.030 132 S CA 1.035 59.316 58.200 0.135 0.000 1.003 132 S CB -0.778 62.500 63.200 0.131 0.000 0.813 132 S HN 0.490 nan 8.310 nan 0.000 0.477 133 W N 1.469 122.729 121.300 -0.066 0.000 2.467 133 W HA 0.371 5.038 4.660 0.012 0.000 0.275 133 W C 1.971 178.585 176.519 0.159 0.000 1.239 133 W CA -0.041 57.290 57.345 -0.023 0.000 1.266 133 W CB -0.415 29.079 29.460 0.058 0.000 1.112 133 W HN 0.306 nan 8.180 nan 0.000 0.576 134 L N -0.818 120.588 121.223 0.305 0.000 2.463 134 L HA 0.046 4.393 4.340 0.012 0.000 0.219 134 L C 2.013 178.971 176.870 0.147 0.000 1.088 134 L CA 0.434 55.402 54.840 0.213 0.000 0.849 134 L CB -0.570 41.582 42.059 0.155 0.000 1.012 134 L HN -0.095 nan 8.230 nan 0.000 0.468 135 Q N 0.909 120.785 119.800 0.127 0.000 2.364 135 Q HA -0.073 4.274 4.340 0.012 0.000 0.207 135 Q C -0.111 175.939 176.000 0.084 0.000 0.970 135 Q CA 0.719 56.573 55.803 0.085 0.000 0.888 135 Q CB 0.248 29.026 28.738 0.066 0.000 0.951 135 Q HN 0.591 nan 8.270 nan 0.000 0.469 136 E N -2.464 117.809 120.200 0.122 0.000 2.409 136 E HA 0.519 4.876 4.350 0.012 0.000 0.280 136 E C -0.251 176.459 176.600 0.183 0.000 1.079 136 E CA -0.662 55.806 56.400 0.113 0.000 0.840 136 E CB 0.725 30.474 29.700 0.081 0.000 1.309 136 E HN 0.040 nan 8.360 nan 0.000 0.447 137 G N 0.660 109.503 108.800 0.073 0.000 2.642 137 G HA2 -0.241 3.726 3.960 0.012 0.000 0.231 137 G HA3 -0.241 3.726 3.960 0.012 0.000 0.231 137 G C -0.827 173.959 174.900 -0.189 0.000 1.338 137 G CA 0.081 45.129 45.100 -0.087 0.000 0.883 137 G HN 0.763 nan 8.290 nan 0.000 0.570 138 Q N -0.339 119.188 119.800 -0.455 0.000 2.310 138 Q HA 0.614 4.961 4.340 0.012 0.000 0.270 138 Q C -0.967 174.846 176.000 -0.312 0.000 1.025 138 Q CA -0.458 55.187 55.803 -0.264 0.000 0.772 138 Q CB 1.417 30.054 28.738 -0.168 0.000 1.253 138 Q HN 0.617 nan 8.270 nan 0.000 0.450 139 T N 5.131 119.670 114.554 -0.025 0.000 2.756 139 T HA 0.468 4.825 4.350 0.012 0.000 0.290 139 T C -0.529 174.274 174.700 0.171 0.000 0.985 139 T CA -0.570 61.623 62.100 0.155 0.000 0.955 139 T CB 0.451 69.561 68.868 0.403 0.000 0.930 139 T HN 0.631 nan 8.240 nan 0.000 0.451 140 R N 2.973 123.565 120.500 0.154 0.000 2.854 140 R HA 0.779 5.126 4.340 0.012 0.000 0.271 140 R C -1.207 175.190 176.300 0.161 0.000 0.996 140 R CA -0.988 55.206 56.100 0.156 0.000 0.961 140 R CB 1.522 31.889 30.300 0.113 0.000 1.182 140 R HN 0.564 nan 8.270 nan 0.000 0.479 141 I N 2.307 122.973 120.570 0.160 0.000 2.493 141 I HA 0.409 4.587 4.170 0.012 0.000 0.298 141 I C -1.358 174.794 176.117 0.059 0.000 0.998 141 I CA -1.491 59.848 61.300 0.065 0.000 1.137 141 I CB 1.555 39.585 38.000 0.050 0.000 1.310 141 I HN 0.630 nan 8.210 nan 0.000 0.445 142 I N 7.703 128.210 120.570 -0.104 0.000 2.410 142 I HA 0.294 4.472 4.170 0.012 0.000 0.286 142 I C -1.058 174.912 176.117 -0.246 0.000 1.009 142 I CA 0.055 61.310 61.300 -0.075 0.000 1.111 142 I CB 1.244 39.213 38.000 -0.051 0.000 1.262 142 I HN 0.274 nan 8.210 nan 0.000 0.443 143 F N 4.702 124.636 119.950 -0.027 0.000 2.313 143 F HA 0.312 4.846 4.527 0.012 0.000 0.369 143 F C 1.404 177.085 175.800 -0.198 0.000 1.109 143 F CA -0.380 57.530 58.000 -0.150 0.000 1.132 143 F CB 0.742 39.598 39.000 -0.240 0.000 1.291 143 F HN 0.482 nan 8.300 nan 0.000 0.496 144 D N 2.393 122.709 120.400 -0.141 0.000 2.264 144 D HA 0.015 4.662 4.640 0.012 0.000 0.208 144 D C 1.030 177.154 176.300 -0.293 0.000 0.966 144 D CA 0.937 54.806 54.000 -0.218 0.000 0.864 144 D CB 0.376 40.991 40.800 -0.309 0.000 0.933 144 D HN 0.627 nan 8.370 nan 0.000 0.499 145 G N -0.286 108.280 108.800 -0.389 0.000 2.505 145 G HA2 0.425 4.393 3.960 0.012 0.000 0.292 145 G HA3 0.425 4.393 3.960 0.012 0.000 0.292 145 G C -1.394 173.262 174.900 -0.408 0.000 1.332 145 G CA -0.433 44.327 45.100 -0.568 0.000 1.286 145 G HN -0.055 nan 8.290 nan 0.000 0.606 146 V N 2.726 122.583 119.914 -0.095 0.000 2.483 146 V HA 0.514 4.641 4.120 0.012 0.000 0.297 146 V C -0.716 175.453 176.094 0.126 0.000 1.027 146 V CA -1.230 61.012 62.300 -0.097 0.000 0.855 146 V CB 1.866 33.350 31.823 -0.564 0.000 0.995 146 V HN 0.677 nan 8.190 nan 0.000 0.424 147 N N 2.569 121.331 118.700 0.104 0.000 2.444 147 N HA 0.303 5.051 4.740 0.012 0.000 0.262 147 N C 0.623 176.062 175.510 -0.118 0.000 0.974 147 N CA 0.158 53.173 53.050 -0.058 0.000 0.933 147 N CB 2.147 40.425 38.487 -0.349 0.000 1.137 147 N HN 0.729 nan 8.380 nan 0.000 0.498 148 S N 1.771 117.447 115.700 -0.040 0.000 2.578 148 S HA 0.564 5.041 4.470 0.012 0.000 0.228 148 S C 0.233 174.900 174.600 0.113 0.000 1.022 148 S CA -0.115 58.110 58.200 0.042 0.000 0.967 148 S CB 0.394 63.631 63.200 0.062 0.000 0.914 148 S HN 0.630 nan 8.310 nan 0.000 0.515 149 A N 0.950 123.854 122.820 0.140 0.000 2.604 149 A HA 0.756 5.083 4.320 0.012 0.000 0.295 149 A C -1.377 176.337 177.584 0.216 0.000 1.067 149 A CA -0.894 51.205 52.037 0.104 0.000 0.683 149 A CB 0.907 19.988 19.000 0.136 0.000 1.281 149 A HN 1.081 nan 8.150 nan 0.000 0.407 150 F N -0.490 119.320 119.950 -0.234 0.000 2.693 150 F HA 0.757 5.291 4.527 0.012 0.000 0.309 150 F C -1.201 174.546 175.800 -0.088 0.000 1.129 150 F CA -0.793 57.160 58.000 -0.079 0.000 0.948 150 F CB 1.011 39.931 39.000 -0.133 0.000 1.315 150 F HN 0.626 nan 8.300 nan 0.000 0.447 151 H N 1.910 121.099 119.070 0.199 0.000 2.492 151 H HA 0.726 5.290 4.556 0.012 0.000 0.345 151 H C -1.447 173.795 175.328 -0.144 0.000 1.136 151 H CA -0.711 55.330 56.048 -0.012 0.000 1.202 151 H CB 2.506 32.300 29.762 0.053 0.000 1.524 151 H HN 0.806 nan 8.280 nan 0.000 0.506 152 L N 2.952 123.903 121.223 -0.453 0.000 2.365 152 L HA 0.416 4.763 4.340 0.012 0.000 0.273 152 L C -1.586 174.941 176.870 -0.571 0.000 1.000 152 L CA -0.494 54.127 54.840 -0.364 0.000 0.819 152 L CB 1.415 43.127 42.059 -0.578 0.000 1.284 152 L HN 0.499 nan 8.230 nan 0.000 0.418 153 W N 4.406 125.649 121.300 -0.095 0.000 2.819 153 W HA 0.569 5.237 4.660 0.013 0.000 0.337 153 W C -1.222 175.233 176.519 -0.107 0.000 1.077 153 W CA -0.775 56.510 57.345 -0.100 0.000 1.226 153 W CB 2.048 31.476 29.460 -0.053 0.000 1.419 153 W HN 0.580 nan 8.180 nan 0.000 0.502 154 C N 5.278 124.648 119.300 0.117 0.000 2.381 154 C HA 0.302 4.769 4.460 0.012 0.000 0.328 154 C C 0.197 175.308 174.990 0.202 0.000 1.190 154 C CA -0.325 58.765 59.018 0.120 0.000 1.369 154 C CB -0.711 27.037 27.740 0.013 0.000 2.029 154 C HN 0.796 nan 8.230 nan 0.000 0.448 155 N N 3.682 122.458 118.700 0.128 0.000 2.740 155 N HA -0.183 4.564 4.740 0.012 0.000 0.248 155 N C 0.974 176.545 175.510 0.103 0.000 1.062 155 N CA 1.934 55.036 53.050 0.087 0.000 0.704 155 N CB -1.292 37.254 38.487 0.098 0.000 0.968 155 N HN 1.818 nan 8.380 nan 0.000 0.547 156 G N -1.107 107.744 108.800 0.086 0.000 2.205 156 G HA2 -0.378 3.589 3.960 0.012 0.000 0.261 156 G HA3 -0.378 3.589 3.960 0.012 0.000 0.261 156 G C 0.162 175.221 174.900 0.265 0.000 0.980 156 G CA 0.760 45.907 45.100 0.078 0.000 0.632 156 G HN 0.574 nan 8.290 nan 0.000 0.533 157 R N -0.988 119.737 120.500 0.375 0.000 2.407 157 R HA 0.455 4.803 4.340 0.012 0.000 0.303 157 R C -0.172 176.451 176.300 0.538 0.000 0.981 157 R CA -0.866 55.531 56.100 0.496 0.000 0.905 157 R CB 1.035 31.639 30.300 0.507 0.000 1.099 157 R HN 0.215 nan 8.270 nan 0.000 0.459 158 W N 3.615 125.088 121.300 0.289 0.000 2.251 158 W HA 0.079 4.746 4.660 0.012 0.000 0.327 158 W C 0.050 176.470 176.519 -0.165 0.000 1.361 158 W CA 0.038 57.254 57.345 -0.216 0.000 1.234 158 W CB 0.626 29.965 29.460 -0.200 0.000 1.212 158 W HN 0.346 nan 8.180 nan 0.000 0.557 159 V N 5.381 124.556 119.914 -1.232 0.000 2.602 159 V HA 0.538 4.665 4.120 0.012 0.000 0.235 159 V C 1.064 176.189 176.094 -1.614 0.000 1.087 159 V CA 1.116 62.645 62.300 -1.285 0.000 1.117 159 V CB -0.497 30.604 31.823 -1.203 0.000 0.820 159 V HN 0.770 nan 8.190 nan 0.000 0.490 160 G N -1.960 105.735 108.800 -1.842 0.000 2.561 160 G HA2 0.512 4.479 3.960 0.012 0.000 0.310 160 G HA3 0.512 4.479 3.960 0.012 0.000 0.310 160 G C -2.405 172.091 174.900 -0.673 0.000 1.292 160 G CA -0.278 44.061 45.100 -1.268 0.000 0.811 160 G HN 0.036 nan 8.290 nan 0.000 0.482 161 Y N -0.601 119.488 120.300 -0.352 0.000 2.562 161 Y HA 0.692 5.249 4.550 0.012 0.000 0.345 161 Y C -0.157 175.508 175.900 -0.390 0.000 1.045 161 Y CA -0.184 57.624 58.100 -0.487 0.000 1.028 161 Y CB 2.251 40.542 38.460 -0.281 0.000 1.297 161 Y HN 1.156 nan 8.280 nan 0.000 0.463 162 G N 3.852 111.775 108.800 -1.462 0.000 2.733 162 G HA2 0.573 4.540 3.960 0.012 0.000 0.297 162 G HA3 0.573 4.540 3.960 0.012 0.000 0.297 162 G C -2.128 172.336 174.900 -0.727 0.000 1.422 162 G CA -0.841 43.739 45.100 -0.867 0.000 0.942 162 G HN 0.623 nan 8.290 nan 0.000 0.510 163 Q N -0.191 119.423 119.800 -0.309 0.000 2.552 163 Q HA 0.594 4.942 4.340 0.012 0.000 0.289 163 Q C -1.355 174.655 176.000 0.016 0.000 1.097 163 Q CA -0.817 54.922 55.803 -0.107 0.000 0.812 163 Q CB 2.670 31.385 28.738 -0.038 0.000 1.460 163 Q HN 0.665 nan 8.270 nan 0.000 0.452 164 D N -0.246 120.198 120.400 0.073 0.000 4.303 164 D HA -0.096 4.551 4.640 0.012 0.000 0.230 164 D C -0.539 175.828 176.300 0.112 0.000 1.172 164 D CA 0.474 54.531 54.000 0.095 0.000 1.001 164 D CB -0.643 40.196 40.800 0.065 0.000 0.641 164 D HN 0.524 nan 8.370 nan 0.000 0.296 165 S N 3.294 119.071 115.700 0.130 0.000 2.547 165 S HA -0.059 4.418 4.470 0.012 0.000 0.235 165 S C 1.546 176.291 174.600 0.242 0.000 0.980 165 S CA 0.521 58.826 58.200 0.175 0.000 0.941 165 S CB 0.237 63.497 63.200 0.100 0.000 0.763 165 S HN 0.466 nan 8.310 nan 0.000 0.532 166 R N 0.161 120.759 120.500 0.164 0.000 2.508 166 R HA 0.428 4.775 4.340 0.012 0.000 0.300 166 R C -0.347 176.014 176.300 0.102 0.000 0.970 166 R CA 0.054 56.249 56.100 0.158 0.000 1.102 166 R CB 0.152 30.560 30.300 0.181 0.000 1.246 166 R HN 0.328 nan 8.270 nan 0.000 0.539 167 L N 1.847 123.103 121.223 0.055 0.000 2.371 167 L HA 0.503 4.851 4.340 0.012 0.000 0.262 167 L C -2.318 174.532 176.870 -0.032 0.000 1.006 167 L CA -2.268 52.576 54.840 0.007 0.000 0.818 167 L CB 2.998 45.058 42.059 0.001 0.000 1.354 167 L HN -0.200 nan 8.230 nan 0.000 0.415 168 P HA 0.085 nan 4.420 nan 0.000 0.271 168 P C -0.987 176.280 177.300 -0.054 0.000 1.216 168 P CA -0.208 62.847 63.100 -0.075 0.000 0.776 168 P CB 1.207 32.828 31.700 -0.131 0.000 0.881 169 S N 1.880 117.605 115.700 0.042 0.000 2.498 169 S HA 0.309 4.786 4.470 0.012 0.000 0.317 169 S C -0.422 174.172 174.600 -0.010 0.000 1.090 169 S CA -0.549 57.656 58.200 0.008 0.000 1.089 169 S CB 0.915 64.293 63.200 0.295 0.000 0.997 169 S HN 0.384 nan 8.310 nan 0.000 0.470 170 E N 1.894 121.905 120.200 -0.315 0.000 2.212 170 E HA 0.620 4.977 4.350 0.012 0.000 0.268 170 E C -1.382 174.894 176.600 -0.540 0.000 0.902 170 E CA -0.567 55.711 56.400 -0.203 0.000 0.779 170 E CB 1.553 31.210 29.700 -0.071 0.000 1.172 170 E HN 0.414 nan 8.360 nan 0.000 0.409 171 F N 0.454 120.461 119.950 0.095 0.000 2.588 171 F HA 0.221 4.755 4.527 0.013 0.000 0.310 171 F C -0.103 175.722 175.800 0.043 0.000 1.082 171 F CA -1.115 56.904 58.000 0.033 0.000 0.929 171 F CB 1.504 40.488 39.000 -0.028 0.000 1.254 171 F HN 0.258 nan 8.300 nan 0.000 0.455 172 D N 2.567 123.099 120.400 0.219 0.000 2.316 172 D HA 0.268 4.915 4.640 0.012 0.000 0.245 172 D C 0.260 176.698 176.300 0.230 0.000 1.171 172 D CA 0.203 54.314 54.000 0.185 0.000 0.856 172 D CB 0.981 41.873 40.800 0.152 0.000 1.090 172 D HN 0.569 nan 8.370 nan 0.000 0.476 173 L N 2.686 124.049 121.223 0.233 0.000 2.640 173 L HA 0.049 4.396 4.340 0.012 0.000 0.230 173 L C 2.135 179.224 176.870 0.365 0.000 1.123 173 L CA -0.205 54.814 54.840 0.299 0.000 0.900 173 L CB 0.071 42.265 42.059 0.226 0.000 1.146 173 L HN 0.252 nan 8.230 nan 0.000 0.484 174 S N 1.395 117.256 115.700 0.268 0.000 2.389 174 S HA -0.281 4.196 4.470 0.012 0.000 0.231 174 S C 2.047 176.749 174.600 0.171 0.000 1.052 174 S CA 1.907 60.226 58.200 0.198 0.000 1.053 174 S CB -0.114 63.162 63.200 0.126 0.000 0.886 174 S HN 0.584 nan 8.310 nan 0.000 0.456 175 A N -0.597 122.320 122.820 0.162 0.000 2.218 175 A HA 0.348 4.676 4.320 0.012 0.000 0.209 175 A C 1.365 178.869 177.584 -0.133 0.000 1.168 175 A CA 0.215 52.233 52.037 -0.031 0.000 0.804 175 A CB -0.320 18.577 19.000 -0.171 0.000 0.834 175 A HN 0.471 nan 8.150 nan 0.000 0.482 176 F N -0.246 119.743 119.950 0.064 0.000 2.714 176 F HA 0.344 4.878 4.527 0.012 0.000 0.294 176 F C 0.745 176.576 175.800 0.052 0.000 1.120 176 F CA -0.096 57.940 58.000 0.060 0.000 1.398 176 F CB -0.100 38.941 39.000 0.068 0.000 1.120 176 F HN -0.026 nan 8.300 nan 0.000 0.589 177 L N 1.412 122.777 121.223 0.237 0.000 2.439 177 L HA 0.445 4.792 4.340 0.012 0.000 0.261 177 L C 0.320 177.227 176.870 0.062 0.000 1.153 177 L CA -0.626 54.293 54.840 0.132 0.000 0.808 177 L CB 0.927 43.079 42.059 0.155 0.000 1.126 177 L HN 0.060 nan 8.230 nan 0.000 0.460 178 R N 1.266 121.766 120.500 0.000 0.000 2.795 178 R HA 0.792 5.139 4.340 0.012 0.000 0.275 178 R C -1.127 175.146 176.300 -0.046 0.000 0.981 178 R CA -0.902 55.188 56.100 -0.017 0.000 0.917 178 R CB 1.627 31.907 30.300 -0.033 0.000 1.202 178 R HN 0.560 nan 8.270 nan 0.000 0.469 179 A N 1.404 124.206 122.820 -0.029 0.000 2.488 179 A HA 0.539 4.866 4.320 0.012 0.000 0.249 179 A C 0.951 178.489 177.584 -0.076 0.000 1.083 179 A CA 0.960 52.972 52.037 -0.041 0.000 0.768 179 A CB -0.496 18.494 19.000 -0.016 0.000 1.017 179 A HN 1.349 nan 8.150 nan 0.000 0.496 180 G N 1.633 110.367 108.800 -0.109 0.000 2.443 180 G HA2 -0.083 3.884 3.960 0.012 0.000 0.209 180 G HA3 -0.083 3.884 3.960 0.012 0.000 0.209 180 G C -0.503 174.281 174.900 -0.193 0.000 1.176 180 G CA -0.252 44.773 45.100 -0.124 0.000 1.074 180 G HN 0.832 nan 8.290 nan 0.000 0.577 181 E N 2.016 122.111 120.200 -0.176 0.000 2.316 181 E HA 0.384 4.742 4.350 0.012 0.000 0.275 181 E C 0.043 176.470 176.600 -0.289 0.000 1.029 181 E CA -0.012 56.252 56.400 -0.227 0.000 0.871 181 E CB 0.724 30.338 29.700 -0.144 0.000 1.022 181 E HN 0.450 nan 8.360 nan 0.000 0.418 182 N N 2.079 120.489 118.700 -0.482 0.000 2.321 182 N HA 0.408 5.155 4.740 0.012 0.000 0.290 182 N C -0.746 174.554 175.510 -0.350 0.000 1.212 182 N CA -0.639 52.113 53.050 -0.498 0.000 0.767 182 N CB 2.747 40.723 38.487 -0.851 0.000 1.494 182 N HN 0.245 nan 8.380 nan 0.000 0.479 183 R N 1.388 121.826 120.500 -0.102 0.000 2.538 183 R HA 0.481 4.828 4.340 0.012 0.000 0.292 183 R C -1.450 174.921 176.300 0.119 0.000 1.008 183 R CA -0.484 55.635 56.100 0.032 0.000 0.896 183 R CB 1.070 31.346 30.300 -0.039 0.000 1.187 183 R HN 0.477 nan 8.270 nan 0.000 0.440 184 L N 3.365 124.689 121.223 0.169 0.000 2.309 184 L HA 0.716 5.063 4.340 0.012 0.000 0.282 184 L C -0.267 176.675 176.870 0.119 0.000 1.036 184 L CA -0.863 54.076 54.840 0.165 0.000 0.806 184 L CB 1.960 44.117 42.059 0.163 0.000 1.220 184 L HN 0.728 nan 8.230 nan 0.000 0.429 185 A N 3.683 126.571 122.820 0.114 0.000 2.319 185 A HA 0.769 5.096 4.320 0.012 0.000 0.310 185 A C -0.869 176.978 177.584 0.437 0.000 1.152 185 A CA -0.472 51.548 52.037 -0.027 0.000 0.783 185 A CB 1.412 19.934 19.000 -0.796 0.000 1.184 185 A HN 0.401 nan 8.150 nan 0.000 0.474 186 V N 3.701 124.064 119.914 0.749 0.000 2.409 186 V HA 0.391 4.518 4.120 0.012 0.000 0.290 186 V C -0.109 176.533 176.094 0.914 0.000 1.017 186 V CA -0.243 62.509 62.300 0.753 0.000 0.841 186 V CB 1.402 33.514 31.823 0.483 0.000 1.003 186 V HN 0.975 nan 8.190 nan 0.000 0.426 187 M N 6.164 126.326 119.600 0.937 0.000 2.069 187 M HA 0.517 5.005 4.480 0.012 0.000 0.349 187 M C -1.250 175.329 176.300 0.465 0.000 1.194 187 M CA -0.277 55.387 55.300 0.607 0.000 1.081 187 M CB 0.878 33.869 32.600 0.651 0.000 1.500 187 M HN 0.471 nan 8.290 nan 0.000 0.438 188 V N 6.822 126.977 119.914 0.402 0.000 2.394 188 V HA 0.393 4.520 4.120 0.012 0.000 0.282 188 V C -0.025 176.258 176.094 0.314 0.000 1.031 188 V CA -0.663 61.876 62.300 0.398 0.000 0.881 188 V CB 1.372 33.519 31.823 0.539 0.000 0.982 188 V HN 0.789 nan 8.190 nan 0.000 0.451 189 L N 4.782 126.123 121.223 0.197 0.000 2.307 189 L HA 0.533 4.881 4.340 0.012 0.000 0.282 189 L C 1.478 178.380 176.870 0.053 0.000 1.051 189 L CA -0.466 54.412 54.840 0.063 0.000 0.804 189 L CB 1.512 43.514 42.059 -0.094 0.000 1.197 189 L HN 0.643 nan 8.230 nan 0.000 0.431 190 R N 2.471 122.946 120.500 -0.041 0.000 2.073 190 R HA -0.024 4.323 4.340 0.012 0.000 0.229 190 R C -0.407 175.565 176.300 -0.547 0.000 1.120 190 R CA 1.128 56.964 56.100 -0.439 0.000 0.967 190 R CB 0.260 30.155 30.300 -0.674 0.000 0.862 190 R HN 0.567 nan 8.270 nan 0.000 0.436 191 W N 0.099 121.458 121.300 0.098 0.000 2.689 191 W HA 0.435 5.102 4.660 0.012 0.000 0.340 191 W C -0.384 176.232 176.519 0.162 0.000 1.060 191 W CA -0.825 56.580 57.345 0.101 0.000 1.218 191 W CB 1.817 31.337 29.460 0.099 0.000 1.410 191 W HN -0.012 nan 8.180 nan 0.000 0.528 192 S N -1.164 114.817 115.700 0.467 0.000 2.643 192 S HA 0.192 4.669 4.470 0.012 0.000 0.270 192 S C -0.005 174.850 174.600 0.424 0.000 1.166 192 S CA -0.488 57.997 58.200 0.476 0.000 0.815 192 S CB 1.145 64.601 63.200 0.427 0.000 1.139 192 S HN 0.624 nan 8.310 nan 0.000 0.472 193 D N 0.379 121.043 120.400 0.440 0.000 2.309 193 D HA 0.080 4.728 4.640 0.012 0.000 0.212 193 D C 1.727 178.355 176.300 0.547 0.000 0.968 193 D CA 1.144 55.461 54.000 0.527 0.000 0.882 193 D CB -0.648 40.324 40.800 0.285 0.000 0.918 193 D HN 0.707 nan 8.370 nan 0.000 0.503 194 G N 0.095 109.127 108.800 0.387 0.000 2.443 194 G HA2 -0.233 3.734 3.960 0.012 0.000 0.219 194 G HA3 -0.233 3.734 3.960 0.012 0.000 0.219 194 G C 1.686 176.776 174.900 0.316 0.000 1.131 194 G CA 0.603 45.902 45.100 0.332 0.000 0.775 194 G HN 0.304 nan 8.290 nan 0.000 0.547 195 S N 0.067 115.938 115.700 0.284 0.000 2.419 195 S HA -0.104 4.373 4.470 0.012 0.000 0.233 195 S C 1.907 176.611 174.600 0.172 0.000 1.016 195 S CA 0.713 59.048 58.200 0.225 0.000 0.974 195 S CB -0.386 62.956 63.200 0.237 0.000 0.786 195 S HN 0.506 nan 8.310 nan 0.000 0.492 196 Y N 1.219 121.641 120.300 0.204 0.000 2.483 196 Y HA 0.074 4.631 4.550 0.012 0.000 0.291 196 Y C 1.559 177.557 175.900 0.162 0.000 1.143 196 Y CA 0.619 58.753 58.100 0.057 0.000 1.289 196 Y CB -0.288 38.076 38.460 -0.160 0.000 0.983 196 Y HN 0.211 nan 8.280 nan 0.000 0.556 197 L N -0.217 121.197 121.223 0.318 0.000 2.769 197 L HA 0.160 4.508 4.340 0.012 0.000 0.240 197 L C -0.073 176.940 176.870 0.239 0.000 1.163 197 L CA 0.322 55.309 54.840 0.245 0.000 0.962 197 L CB 0.076 42.282 42.059 0.244 0.000 1.258 197 L HN 0.129 nan 8.230 nan 0.000 0.513 198 E N -0.090 120.266 120.200 0.260 0.000 4.052 198 E HA 0.064 4.421 4.350 0.012 0.000 0.219 198 E C -0.631 176.092 176.600 0.205 0.000 1.166 198 E CA -0.063 56.476 56.400 0.232 0.000 1.338 198 E CB 0.577 30.403 29.700 0.210 0.000 1.212 198 E HN 0.011 nan 8.360 nan 0.000 0.432 199 D N 1.373 121.858 120.400 0.142 0.000 2.889 199 D HA 0.038 4.685 4.640 0.012 0.000 0.243 199 D C -0.234 176.074 176.300 0.015 0.000 1.270 199 D CA -0.158 53.819 54.000 -0.039 0.000 0.838 199 D CB 0.165 40.714 40.800 -0.419 0.000 1.040 199 D HN 0.055 nan 8.370 nan 0.000 0.480 200 Q N 0.423 120.319 119.800 0.160 0.000 2.392 200 Q HA 0.133 4.481 4.340 0.012 0.000 0.262 200 Q C -0.173 175.957 176.000 0.217 0.000 1.003 200 Q CA 0.052 56.019 55.803 0.272 0.000 0.888 200 Q CB 0.696 29.740 28.738 0.511 0.000 1.260 200 Q HN 0.091 nan 8.270 nan 0.000 0.435 201 D N 3.147 123.705 120.400 0.262 0.000 2.455 201 D HA 0.195 4.842 4.640 0.012 0.000 0.234 201 D C -0.787 175.674 176.300 0.269 0.000 1.224 201 D CA 0.092 54.226 54.000 0.223 0.000 0.999 201 D CB -0.390 40.545 40.800 0.225 0.000 1.072 201 D HN 0.491 nan 8.370 nan 0.000 0.514 202 M N 0.094 119.807 119.600 0.188 0.000 3.084 202 M HA 0.427 4.915 4.480 0.012 0.000 0.273 202 M C -1.258 175.117 176.300 0.124 0.000 1.242 202 M CA -1.191 54.136 55.300 0.044 0.000 0.819 202 M CB 1.072 33.593 32.600 -0.131 0.000 1.625 202 M HN -0.093 nan 8.290 nan 0.000 0.493 203 W N 1.960 123.319 121.300 0.099 0.000 2.210 203 W HA 0.362 5.029 4.660 0.012 0.000 0.330 203 W C 0.168 176.698 176.519 0.019 0.000 1.334 203 W CA -0.035 57.368 57.345 0.096 0.000 1.227 203 W CB 0.410 29.862 29.460 -0.013 0.000 1.178 203 W HN 0.266 nan 8.180 nan 0.000 0.560 204 R N 4.735 125.406 120.500 0.286 0.000 2.198 204 R HA 0.448 4.795 4.340 0.012 0.000 0.339 204 R C -0.198 176.108 176.300 0.009 0.000 1.020 204 R CA -0.302 55.886 56.100 0.147 0.000 0.864 204 R CB 0.318 30.779 30.300 0.269 0.000 1.105 204 R HN 0.572 nan 8.270 nan 0.000 0.463 205 M N 0.249 119.742 119.600 -0.178 0.000 2.752 205 M HA 0.534 5.021 4.480 0.012 0.000 0.285 205 M C -0.069 175.884 176.300 -0.578 0.000 1.140 205 M CA -0.811 54.265 55.300 -0.373 0.000 0.767 205 M CB 2.229 34.606 32.600 -0.372 0.000 1.736 205 M HN 0.665 nan 8.290 nan 0.000 0.452 206 S N -1.262 113.962 115.700 -0.793 0.000 2.615 206 S HA 0.917 5.394 4.470 0.012 0.000 0.268 206 S C -0.628 173.426 174.600 -0.909 0.000 1.146 206 S CA -0.202 57.454 58.200 -0.906 0.000 0.818 206 S CB 1.552 64.074 63.200 -1.130 0.000 1.111 206 S HN 1.554 nan 8.310 nan 0.000 0.465 207 G N -0.011 108.489 108.800 -0.499 0.000 2.373 207 G HA2 0.144 4.112 3.960 0.012 0.000 0.634 207 G HA3 0.144 4.112 3.960 0.012 0.000 0.634 207 G C -1.194 173.678 174.900 -0.046 0.000 1.267 207 G CA -0.578 44.518 45.100 -0.007 0.000 1.008 207 G HN 1.259 nan 8.290 nan 0.000 0.497 208 I N 2.152 122.553 120.570 -0.282 0.000 2.224 208 I HA 0.219 4.396 4.170 0.012 0.000 0.293 208 I C 1.368 177.360 176.117 -0.208 0.000 1.155 208 I CA -0.227 60.832 61.300 -0.401 0.000 1.297 208 I CB -0.327 37.177 38.000 -0.826 0.000 1.487 208 I HN 0.483 nan 8.210 nan 0.000 0.564 209 F N 3.213 123.004 119.950 -0.264 0.000 2.797 209 F HA 0.375 4.909 4.527 0.012 0.000 0.302 209 F C 0.696 176.408 175.800 -0.146 0.000 1.130 209 F CA -0.456 57.423 58.000 -0.201 0.000 1.387 209 F CB -0.298 38.588 39.000 -0.189 0.000 1.107 209 F HN 0.126 nan 8.300 nan 0.000 0.577 210 R N 0.406 120.505 120.500 -0.668 0.000 2.867 210 R HA 0.219 4.566 4.340 0.012 0.000 0.268 210 R C -0.602 175.489 176.300 -0.349 0.000 1.014 210 R CA -1.122 54.657 56.100 -0.535 0.000 0.946 210 R CB 1.013 30.865 30.300 -0.747 0.000 1.208 210 R HN -0.017 nan 8.270 nan 0.000 0.477 211 D N 0.930 121.176 120.400 -0.257 0.000 2.515 211 D HA 0.037 4.684 4.640 0.012 0.000 0.232 211 D C -0.408 175.758 176.300 -0.223 0.000 1.157 211 D CA 0.676 54.564 54.000 -0.186 0.000 0.871 211 D CB 0.665 41.391 40.800 -0.124 0.000 1.200 211 D HN -0.015 nan 8.370 nan 0.000 0.466 212 V N 1.022 120.819 119.914 -0.195 0.000 2.656 212 V HA 0.589 4.717 4.120 0.012 0.000 0.307 212 V C 0.130 176.108 176.094 -0.193 0.000 1.051 212 V CA -0.527 61.601 62.300 -0.286 0.000 0.893 212 V CB 1.854 33.534 31.823 -0.239 0.000 0.999 212 V HN 0.819 nan 8.190 nan 0.000 0.426 213 S N 4.200 119.758 115.700 -0.236 0.000 2.643 213 S HA 0.808 5.285 4.470 0.012 0.000 0.270 213 S C -1.531 173.013 174.600 -0.092 0.000 1.166 213 S CA -0.935 57.191 58.200 -0.123 0.000 0.815 213 S CB 1.737 64.906 63.200 -0.051 0.000 1.139 213 S HN 0.474 nan 8.310 nan 0.000 0.472 214 L N 1.245 122.484 121.223 0.026 0.000 2.362 214 L HA 0.689 5.036 4.340 0.012 0.000 0.275 214 L C -1.547 175.508 176.870 0.309 0.000 0.998 214 L CA -0.845 54.101 54.840 0.175 0.000 0.820 214 L CB 1.752 43.946 42.059 0.224 0.000 1.270 214 L HN 0.704 nan 8.230 nan 0.000 0.415 215 L N 3.494 124.864 121.223 0.246 0.000 2.356 215 L HA 0.472 4.820 4.340 0.012 0.000 0.277 215 L C -0.708 176.162 176.870 0.000 0.000 0.996 215 L CA -0.117 54.800 54.840 0.127 0.000 0.822 215 L CB 1.383 43.491 42.059 0.081 0.000 1.256 215 L HN 0.475 nan 8.230 nan 0.000 0.413 216 H N 5.441 124.285 119.070 -0.377 0.000 2.488 216 H HA 0.497 5.060 4.556 0.012 0.000 0.322 216 H C -1.259 173.856 175.328 -0.355 0.000 1.078 216 H CA -0.505 55.204 56.048 -0.565 0.000 1.260 216 H CB 1.109 30.052 29.762 -1.366 0.000 1.425 216 H HN 0.548 nan 8.280 nan 0.000 0.471 217 K N 5.433 125.491 120.400 -0.569 0.000 2.385 217 K HA 0.380 4.707 4.320 0.012 0.000 0.248 217 K C -2.735 173.641 176.600 -0.374 0.000 0.955 217 K CA -2.014 54.070 56.287 -0.339 0.000 0.816 217 K CB 2.194 34.553 32.500 -0.235 0.000 1.250 217 K HN 0.463 nan 8.250 nan 0.000 0.434 218 P HA 0.146 nan 4.420 nan 0.000 0.274 218 P C 0.563 177.796 177.300 -0.112 0.000 1.256 218 P CA -0.148 62.889 63.100 -0.106 0.000 0.795 218 P CB 0.528 32.201 31.700 -0.045 0.000 1.038 219 T N -1.103 113.411 114.554 -0.068 0.000 2.674 219 T HA -0.063 4.294 4.350 0.012 0.000 0.265 219 T C 0.619 175.284 174.700 -0.058 0.000 1.039 219 T CA 1.593 63.659 62.100 -0.056 0.000 1.150 219 T CB -0.652 68.200 68.868 -0.026 0.000 0.864 219 T HN 0.426 nan 8.240 nan 0.000 0.427 220 T N 3.609 118.136 114.554 -0.045 0.000 2.749 220 T HA 0.447 4.805 4.350 0.012 0.000 0.295 220 T C -0.178 174.483 174.700 -0.064 0.000 0.936 220 T CA -0.535 61.531 62.100 -0.057 0.000 1.060 220 T CB 0.648 69.501 68.868 -0.025 0.000 0.904 220 T HN 0.476 nan 8.240 nan 0.000 0.500 221 Q N 2.386 122.133 119.800 -0.089 0.000 2.565 221 Q HA 0.618 4.966 4.340 0.012 0.000 0.294 221 Q C -1.247 174.695 176.000 -0.096 0.000 1.005 221 Q CA -1.156 54.585 55.803 -0.103 0.000 0.771 221 Q CB 1.387 30.044 28.738 -0.134 0.000 1.486 221 Q HN 0.471 nan 8.270 nan 0.000 0.422 222 I N 2.533 123.021 120.570 -0.138 0.000 2.337 222 I HA 0.066 4.244 4.170 0.012 0.000 0.291 222 I C 0.678 176.716 176.117 -0.133 0.000 1.046 222 I CA -0.150 61.091 61.300 -0.098 0.000 1.324 222 I CB 1.167 39.069 38.000 -0.162 0.000 1.409 222 I HN 0.886 nan 8.210 nan 0.000 0.494 223 S N 2.683 118.404 115.700 0.035 0.000 2.517 223 S HA 0.173 4.651 4.470 0.012 0.000 0.214 223 S C 0.135 174.929 174.600 0.323 0.000 0.991 223 S CA -0.197 58.087 58.200 0.140 0.000 0.906 223 S CB 0.176 63.413 63.200 0.063 0.000 0.789 223 S HN 0.732 nan 8.310 nan 0.000 0.513 224 D N -0.442 120.153 120.400 0.326 0.000 2.783 224 D HA 0.502 5.149 4.640 0.012 0.000 0.253 224 D C -1.934 174.528 176.300 0.269 0.000 1.206 224 D CA -0.709 53.467 54.000 0.292 0.000 0.740 224 D CB 1.252 42.107 40.800 0.092 0.000 1.313 224 D HN 0.199 nan 8.370 nan 0.000 0.427 225 F N -0.400 119.599 119.950 0.082 0.000 2.654 225 F HA 0.561 5.095 4.527 0.012 0.000 0.314 225 F C -1.723 174.149 175.800 0.121 0.000 1.116 225 F CA -0.722 57.275 58.000 -0.005 0.000 1.017 225 F CB 1.002 40.045 39.000 0.073 0.000 1.285 225 F HN 0.292 nan 8.300 nan 0.000 0.448 226 H N 2.409 121.559 119.070 0.132 0.000 2.489 226 H HA 0.762 5.325 4.556 0.012 0.000 0.343 226 H C -1.155 174.227 175.328 0.090 0.000 1.086 226 H CA -1.524 54.539 56.048 0.025 0.000 1.198 226 H CB 2.568 32.320 29.762 -0.017 0.000 1.490 226 H HN 0.603 nan 8.280 nan 0.000 0.504 227 V N 2.321 122.340 119.914 0.174 0.000 2.459 227 V HA 0.665 4.792 4.120 0.012 0.000 0.295 227 V C -0.158 175.928 176.094 -0.014 0.000 1.029 227 V CA -0.572 61.776 62.300 0.080 0.000 0.874 227 V CB 1.276 33.140 31.823 0.070 0.000 0.985 227 V HN 0.931 nan 8.190 nan 0.000 0.438 228 A N 3.194 125.979 122.820 -0.057 0.000 2.454 228 A HA 0.966 5.294 4.320 0.012 0.000 0.302 228 A C -0.224 177.249 177.584 -0.185 0.000 1.079 228 A CA -0.494 51.488 52.037 -0.093 0.000 0.731 228 A CB 2.161 21.130 19.000 -0.051 0.000 1.299 228 A HN 0.961 nan 8.150 nan 0.000 0.413 229 T N -0.471 113.953 114.554 -0.216 0.000 2.949 229 T HA 0.665 5.022 4.350 0.012 0.000 0.300 229 T C -0.505 173.956 174.700 -0.398 0.000 0.988 229 T CA -0.797 61.074 62.100 -0.382 0.000 0.993 229 T CB 0.762 69.296 68.868 -0.557 0.000 0.984 229 T HN 0.990 nan 8.240 nan 0.000 0.442 230 R N 2.018 122.242 120.500 -0.461 0.000 2.732 230 R HA 0.865 5.212 4.340 0.012 0.000 0.278 230 R C -1.470 174.477 176.300 -0.588 0.000 0.976 230 R CA -0.915 54.990 56.100 -0.325 0.000 0.963 230 R CB 1.157 31.381 30.300 -0.126 0.000 1.150 230 R HN 0.445 nan 8.270 nan 0.000 0.478 231 F N 0.040 119.951 119.950 -0.065 0.000 2.631 231 F HA 0.384 4.918 4.527 0.011 0.000 0.328 231 F C 0.229 175.877 175.800 -0.252 0.000 1.067 231 F CA -1.212 56.691 58.000 -0.163 0.000 0.969 231 F CB 1.005 39.815 39.000 -0.316 0.000 1.332 231 F HN 0.659 nan 8.300 nan 0.000 0.490 232 N N -0.145 118.528 118.700 -0.046 0.000 2.448 232 N HA 0.104 4.851 4.740 0.012 0.000 0.274 232 N C 0.344 175.716 175.510 -0.231 0.000 1.239 232 N CA -0.173 52.818 53.050 -0.098 0.000 0.982 232 N CB 0.197 38.660 38.487 -0.039 0.000 1.199 232 N HN 0.665 nan 8.380 nan 0.000 0.576 233 D N -0.503 119.814 120.400 -0.138 0.000 2.157 233 D HA -0.295 4.352 4.640 0.012 0.000 0.191 233 D C 0.640 176.889 176.300 -0.085 0.000 1.004 233 D CA 2.020 55.950 54.000 -0.117 0.000 0.854 233 D CB -0.614 40.171 40.800 -0.024 0.000 0.936 233 D HN 0.772 nan 8.370 nan 0.000 0.446 234 D N -1.249 119.156 120.400 0.008 0.000 2.368 234 D HA -0.032 4.615 4.640 0.012 0.000 0.218 234 D C 0.129 176.639 176.300 0.351 0.000 1.112 234 D CA -0.695 53.422 54.000 0.195 0.000 0.834 234 D CB -0.743 40.140 40.800 0.139 0.000 0.953 234 D HN 0.275 nan 8.370 nan 0.000 0.505 235 F N 0.582 120.575 119.950 0.072 0.000 3.006 235 F HA -0.294 4.240 4.527 0.012 0.000 0.289 235 F C 1.796 177.667 175.800 0.119 0.000 0.772 235 F CA 0.808 58.866 58.000 0.096 0.000 1.162 235 F CB -2.645 36.300 39.000 -0.092 0.000 1.382 235 F HN 0.189 nan 8.300 nan 0.000 0.406 236 S N -0.877 114.938 115.700 0.192 0.000 2.522 236 S HA 0.153 4.630 4.470 0.012 0.000 0.227 236 S C 0.694 175.353 174.600 0.098 0.000 0.986 236 S CA 0.300 58.578 58.200 0.129 0.000 0.929 236 S CB 0.240 63.491 63.200 0.086 0.000 0.769 236 S HN 0.496 nan 8.310 nan 0.000 0.529 237 R N 0.108 120.674 120.500 0.109 0.000 2.651 237 R HA 0.792 5.140 4.340 0.012 0.000 0.278 237 R C -1.307 175.034 176.300 0.069 0.000 1.010 237 R CA -0.381 55.752 56.100 0.055 0.000 0.896 237 R CB 2.166 32.474 30.300 0.014 0.000 1.211 237 R HN 0.218 nan 8.270 nan 0.000 0.456 238 A N 1.627 124.434 122.820 -0.022 0.000 2.527 238 A HA 0.785 5.112 4.320 0.012 0.000 0.293 238 A C -1.254 176.254 177.584 -0.128 0.000 1.117 238 A CA -0.722 51.222 52.037 -0.155 0.000 0.723 238 A CB 2.125 21.011 19.000 -0.190 0.000 1.313 238 A HN 0.336 nan 8.150 nan 0.000 0.411 239 V N 1.490 121.296 119.914 -0.180 0.000 2.483 239 V HA 0.404 4.531 4.120 0.012 0.000 0.297 239 V C -0.604 175.419 176.094 -0.118 0.000 1.027 239 V CA -0.304 61.930 62.300 -0.110 0.000 0.855 239 V CB 1.403 33.163 31.823 -0.106 0.000 0.995 239 V HN 0.800 nan 8.190 nan 0.000 0.424 240 L N 4.525 125.716 121.223 -0.053 0.000 2.265 240 L HA 0.594 4.941 4.340 0.012 0.000 0.288 240 L C 0.059 176.879 176.870 -0.083 0.000 1.058 240 L CA 0.013 54.793 54.840 -0.100 0.000 0.809 240 L CB 1.012 43.041 42.059 -0.051 0.000 1.179 240 L HN 0.753 nan 8.230 nan 0.000 0.429 241 E N 4.222 124.368 120.200 -0.091 0.000 2.158 241 E HA 0.633 4.990 4.350 0.012 0.000 0.271 241 E C -1.260 175.325 176.600 -0.025 0.000 0.911 241 E CA -0.695 55.673 56.400 -0.053 0.000 0.767 241 E CB 1.629 31.299 29.700 -0.049 0.000 1.120 241 E HN 0.710 nan 8.360 nan 0.000 0.405 242 A N 4.673 127.487 122.820 -0.010 0.000 2.340 242 A HA 0.273 4.601 4.320 0.012 0.000 0.297 242 A C -0.681 176.914 177.584 0.018 0.000 1.195 242 A CA -0.660 51.394 52.037 0.029 0.000 0.769 242 A CB 0.974 19.986 19.000 0.020 0.000 1.163 242 A HN 0.724 nan 8.150 nan 0.000 0.472 243 E N 2.624 122.847 120.200 0.038 0.000 2.200 243 E HA 0.533 4.890 4.350 0.012 0.000 0.283 243 E C -1.273 175.315 176.600 -0.020 0.000 1.015 243 E CA -0.337 56.050 56.400 -0.021 0.000 0.819 243 E CB 1.074 30.739 29.700 -0.058 0.000 1.081 243 E HN 0.372 nan 8.360 nan 0.000 0.397 244 V N 4.636 124.542 119.914 -0.013 0.000 2.604 244 V HA 0.303 4.431 4.120 0.012 0.000 0.305 244 V C -0.367 175.795 176.094 0.113 0.000 1.043 244 V CA -0.822 61.513 62.300 0.058 0.000 0.888 244 V CB 1.712 33.545 31.823 0.017 0.000 0.995 244 V HN 0.761 nan 8.190 nan 0.000 0.429 245 Q N 3.639 123.512 119.800 0.121 0.000 2.348 245 Q HA 0.846 5.194 4.340 0.012 0.000 0.271 245 Q C -0.838 175.233 176.000 0.118 0.000 1.067 245 Q CA -0.883 54.986 55.803 0.109 0.000 0.839 245 Q CB 2.637 31.367 28.738 -0.014 0.000 1.354 245 Q HN 0.818 nan 8.270 nan 0.000 0.447 246 M N -0.951 118.640 119.600 -0.014 0.000 2.658 246 M HA 0.736 5.223 4.480 0.012 0.000 0.295 246 M C -1.515 174.686 176.300 -0.165 0.000 1.248 246 M CA -0.608 54.606 55.300 -0.144 0.000 0.843 246 M CB 1.512 33.837 32.600 -0.459 0.000 1.749 246 M HN 0.513 nan 8.290 nan 0.000 0.464 247 C N 0.716 119.933 119.300 -0.139 0.000 2.707 247 C HA 1.046 5.513 4.460 0.012 0.000 0.313 247 C C 0.571 175.487 174.990 -0.123 0.000 1.209 247 C CA 0.593 59.547 59.018 -0.108 0.000 1.635 247 C CB 1.107 28.812 27.740 -0.058 0.000 2.206 247 C HN 1.455 nan 8.230 nan 0.000 0.485 248 G N 2.057 110.795 108.800 -0.104 0.000 2.362 248 G HA2 0.173 4.140 3.960 0.012 0.000 0.517 248 G HA3 0.173 4.140 3.960 0.012 0.000 0.517 248 G C -1.317 173.520 174.900 -0.106 0.000 1.256 248 G CA -0.616 44.429 45.100 -0.091 0.000 1.027 248 G HN 0.772 nan 8.290 nan 0.000 0.491 249 E N -0.132 120.016 120.200 -0.087 0.000 2.289 249 E HA 0.557 4.914 4.350 0.012 0.000 0.278 249 E C 0.598 177.107 176.600 -0.152 0.000 1.032 249 E CA -0.355 55.990 56.400 -0.090 0.000 0.854 249 E CB 0.650 30.323 29.700 -0.045 0.000 1.046 249 E HN 0.520 nan 8.360 nan 0.000 0.409 250 L N 5.562 126.688 121.223 -0.162 0.000 2.367 250 L HA 0.359 4.706 4.340 0.012 0.000 0.275 250 L C 0.272 177.008 176.870 -0.222 0.000 1.129 250 L CA -0.137 54.576 54.840 -0.211 0.000 0.839 250 L CB 0.301 42.264 42.059 -0.160 0.000 1.133 250 L HN 0.385 nan 8.230 nan 0.000 0.453 251 R N 1.961 122.260 120.500 -0.334 0.000 2.698 251 R HA 0.199 4.546 4.340 0.012 0.000 0.275 251 R C -0.165 175.863 176.300 -0.454 0.000 1.001 251 R CA -0.784 55.021 56.100 -0.492 0.000 0.896 251 R CB 1.507 31.171 30.300 -1.059 0.000 1.218 251 R HN 0.521 nan 8.270 nan 0.000 0.462 252 D N 1.136 121.360 120.400 -0.293 0.000 2.218 252 D HA -0.146 4.502 4.640 0.012 0.000 0.204 252 D C 1.482 177.728 176.300 -0.091 0.000 0.976 252 D CA 1.592 55.514 54.000 -0.131 0.000 0.853 252 D CB 0.172 40.950 40.800 -0.036 0.000 0.939 252 D HN 0.583 nan 8.370 nan 0.000 0.481 253 Y N 0.283 120.601 120.300 0.030 0.000 2.561 253 Y HA 0.217 4.774 4.550 0.012 0.000 0.291 253 Y C 0.961 176.878 175.900 0.028 0.000 1.141 253 Y CA -0.402 57.714 58.100 0.027 0.000 1.303 253 Y CB -0.894 37.581 38.460 0.025 0.000 1.015 253 Y HN -0.184 nan 8.280 nan 0.000 0.547 254 L N 2.801 123.970 121.223 -0.090 0.000 2.461 254 L HA 0.253 4.600 4.340 0.012 0.000 0.272 254 L C 0.206 177.094 176.870 0.030 0.000 1.197 254 L CA 0.103 54.984 54.840 0.069 0.000 0.836 254 L CB 0.449 42.556 42.059 0.078 0.000 1.105 254 L HN 0.215 nan 8.230 nan 0.000 0.477 255 R N 2.080 122.497 120.500 -0.139 0.000 2.739 255 R HA 0.687 5.035 4.340 0.012 0.000 0.271 255 R C -1.600 174.349 176.300 -0.585 0.000 1.010 255 R CA -0.785 55.072 56.100 -0.405 0.000 0.897 255 R CB 2.201 32.197 30.300 -0.507 0.000 1.236 255 R HN 0.269 nan 8.270 nan 0.000 0.466 256 V N 0.846 120.458 119.914 -0.504 0.000 2.638 256 V HA 0.497 4.624 4.120 0.012 0.000 0.306 256 V C -0.554 175.466 176.094 -0.124 0.000 1.052 256 V CA -0.545 61.554 62.300 -0.336 0.000 0.885 256 V CB 2.423 33.989 31.823 -0.429 0.000 0.999 256 V HN 0.743 nan 8.190 nan 0.000 0.424 257 T N 3.942 118.532 114.554 0.060 0.000 2.841 257 T HA 0.575 4.932 4.350 0.012 0.000 0.285 257 T C -0.701 174.015 174.700 0.026 0.000 0.991 257 T CA -0.360 61.800 62.100 0.099 0.000 0.966 257 T CB 1.627 70.617 68.868 0.202 0.000 0.962 257 T HN 0.331 nan 8.240 nan 0.000 0.438 258 V N 4.165 124.074 119.914 -0.009 0.000 2.357 258 V HA 0.608 4.736 4.120 0.012 0.000 0.284 258 V C 0.075 176.170 176.094 0.002 0.000 1.018 258 V CA -0.757 61.532 62.300 -0.018 0.000 0.841 258 V CB 1.468 33.266 31.823 -0.043 0.000 0.991 258 V HN 1.035 nan 8.190 nan 0.000 0.437 259 S N 5.497 121.228 115.700 0.051 0.000 2.503 259 S HA 0.825 5.302 4.470 0.012 0.000 0.301 259 S C -1.008 173.632 174.600 0.066 0.000 1.087 259 S CA -0.760 57.452 58.200 0.020 0.000 1.042 259 S CB 2.101 65.362 63.200 0.102 0.000 1.043 259 S HN 0.503 nan 8.310 nan 0.000 0.489 260 L N 2.813 123.988 121.223 -0.080 0.000 2.296 260 L HA 0.749 5.096 4.340 0.012 0.000 0.286 260 L C -1.842 174.994 176.870 -0.057 0.000 1.023 260 L CA -0.466 54.410 54.840 0.060 0.000 0.812 260 L CB 0.540 42.641 42.059 0.070 0.000 1.223 260 L HN 0.872 nan 8.230 nan 0.000 0.421 261 W N 3.944 125.344 121.300 0.167 0.000 2.666 261 W HA 0.571 5.239 4.660 0.012 0.000 0.334 261 W C -0.371 176.244 176.519 0.159 0.000 1.051 261 W CA -0.458 56.965 57.345 0.131 0.000 1.224 261 W CB 1.311 30.799 29.460 0.047 0.000 1.405 261 W HN 0.410 nan 8.180 nan 0.000 0.513 262 Q N 2.839 122.805 119.800 0.277 0.000 2.523 262 Q HA 0.472 4.819 4.340 0.012 0.000 0.251 262 Q C 0.607 176.650 176.000 0.071 0.000 1.033 262 Q CA 0.466 56.274 55.803 0.009 0.000 0.746 262 Q CB 0.539 29.208 28.738 -0.115 0.000 1.189 262 Q HN 0.813 nan 8.270 nan 0.000 0.508 263 G N 2.775 111.622 108.800 0.079 0.000 2.509 263 G HA2 -0.317 3.650 3.960 0.012 0.000 0.259 263 G HA3 -0.317 3.650 3.960 0.012 0.000 0.259 263 G C 0.153 175.143 174.900 0.150 0.000 1.169 263 G CA 0.143 45.283 45.100 0.067 0.000 0.953 263 G HN 0.668 nan 8.290 nan 0.000 0.563 264 E N 0.799 121.080 120.200 0.135 0.000 2.437 264 E HA 0.219 4.576 4.350 0.012 0.000 0.189 264 E C 0.149 176.986 176.600 0.395 0.000 1.054 264 E CA 0.471 56.986 56.400 0.191 0.000 0.874 264 E CB 0.239 29.988 29.700 0.081 0.000 1.011 264 E HN 0.316 nan 8.360 nan 0.000 0.474 265 T N 1.423 116.181 114.554 0.340 0.000 2.758 265 T HA 0.114 4.471 4.350 0.012 0.000 0.285 265 T C -0.273 174.434 174.700 0.010 0.000 0.981 265 T CA -0.455 61.755 62.100 0.183 0.000 0.965 265 T CB 1.566 70.475 68.868 0.068 0.000 0.927 265 T HN 0.061 nan 8.240 nan 0.000 0.448 266 Q N 3.249 122.756 119.800 -0.489 0.000 2.307 266 Q HA 0.278 4.625 4.340 0.012 0.000 0.259 266 Q C 1.070 176.788 176.000 -0.469 0.000 0.998 266 Q CA -0.499 54.646 55.803 -1.095 0.000 0.923 266 Q CB 0.742 28.574 28.738 -1.509 0.000 1.196 266 Q HN 0.688 nan 8.270 nan 0.000 0.416 267 V N 1.401 121.132 119.914 -0.306 0.000 2.725 267 V HA 0.495 4.623 4.120 0.012 0.000 0.247 267 V C 0.413 176.415 176.094 -0.153 0.000 1.058 267 V CA 0.909 63.128 62.300 -0.135 0.000 1.080 267 V CB -0.124 31.712 31.823 0.022 0.000 0.713 267 V HN 0.671 nan 8.190 nan 0.000 0.465 268 A N -0.901 121.801 122.820 -0.196 0.000 2.610 268 A HA 0.830 5.158 4.320 0.012 0.000 0.291 268 A C -0.634 176.848 177.584 -0.170 0.000 1.086 268 A CA 0.178 52.125 52.037 -0.150 0.000 0.677 268 A CB 1.646 20.589 19.000 -0.095 0.000 1.278 268 A HN 0.749 nan 8.150 nan 0.000 0.414 269 S N -1.100 114.527 115.700 -0.121 0.000 2.543 269 S HA 0.753 5.231 4.470 0.012 0.000 0.274 269 S C -0.666 173.897 174.600 -0.062 0.000 1.149 269 S CA 0.212 58.354 58.200 -0.097 0.000 0.866 269 S CB 1.608 64.739 63.200 -0.114 0.000 1.111 269 S HN 2.291 nan 8.310 nan 0.000 0.457 270 G N 1.683 110.457 108.800 -0.044 0.000 2.701 270 G HA2 0.643 4.610 3.960 0.012 0.000 0.300 270 G HA3 0.643 4.610 3.960 0.012 0.000 0.300 270 G C -1.360 173.524 174.900 -0.026 0.000 1.410 270 G CA -0.398 44.679 45.100 -0.039 0.000 1.014 270 G HN 0.696 nan 8.290 nan 0.000 0.509 271 T N -0.008 114.533 114.554 -0.022 0.000 2.893 271 T HA 0.852 5.209 4.350 0.012 0.000 0.293 271 T C -0.338 174.332 174.700 -0.050 0.000 1.027 271 T CA -0.037 62.057 62.100 -0.010 0.000 0.988 271 T CB 1.806 70.704 68.868 0.050 0.000 1.043 271 T HN 1.562 nan 8.240 nan 0.000 0.461 272 A N 3.679 126.437 122.820 -0.103 0.000 2.605 272 A HA 0.881 5.208 4.320 0.012 0.000 0.294 272 A C -3.118 174.345 177.584 -0.202 0.000 1.062 272 A CA -1.461 50.501 52.037 -0.125 0.000 0.682 272 A CB 1.270 20.195 19.000 -0.124 0.000 1.278 272 A HN 0.532 nan 8.150 nan 0.000 0.410 273 P HA 0.530 nan 4.420 nan 0.000 0.278 273 P C -0.615 176.579 177.300 -0.177 0.000 1.266 273 P CA -0.240 62.779 63.100 -0.136 0.000 0.807 273 P CB 0.440 32.116 31.700 -0.041 0.000 1.094 274 F N -0.107 119.799 119.950 -0.074 0.000 2.450 274 F HA 0.457 4.991 4.527 0.012 0.000 0.339 274 F C 1.471 177.249 175.800 -0.037 0.000 1.146 274 F CA 1.595 59.561 58.000 -0.057 0.000 1.267 274 F CB 0.157 39.115 39.000 -0.069 0.000 1.178 274 F HN 0.602 nan 8.300 nan 0.000 0.585 275 G N 1.611 110.532 108.800 0.201 0.000 2.781 275 G HA2 0.351 4.319 3.960 0.012 0.000 0.468 275 G HA3 0.351 4.319 3.960 0.012 0.000 0.468 275 G C -0.370 174.579 174.900 0.082 0.000 1.186 275 G CA -0.748 44.424 45.100 0.119 0.000 1.220 275 G HN 1.042 nan 8.290 nan 0.000 0.564 276 G N 1.061 109.929 108.800 0.113 0.000 2.621 276 G HA2 0.653 4.620 3.960 0.012 0.000 0.271 276 G HA3 0.653 4.620 3.960 0.012 0.000 0.271 276 G C 0.514 175.452 174.900 0.062 0.000 1.236 276 G CA 0.075 45.230 45.100 0.091 0.000 0.958 276 G HN 1.019 nan 8.290 nan 0.000 0.512 277 E N -0.323 119.907 120.200 0.050 0.000 2.408 277 E HA 0.065 4.422 4.350 0.012 0.000 0.259 277 E C 0.204 176.823 176.600 0.030 0.000 1.110 277 E CA -0.435 55.983 56.400 0.031 0.000 0.929 277 E CB 0.778 30.491 29.700 0.023 0.000 0.971 277 E HN 0.333 nan 8.360 nan 0.000 0.438 278 I N 1.991 122.568 120.570 0.012 0.000 2.683 278 I HA -0.100 4.077 4.170 0.012 0.000 0.286 278 I C 1.268 177.386 176.117 0.003 0.000 1.175 278 I CA 0.317 61.616 61.300 -0.002 0.000 1.429 278 I CB 0.203 38.198 38.000 -0.008 0.000 1.371 278 I HN 0.477 nan 8.210 nan 0.000 0.569 279 I N 3.671 124.234 120.570 -0.012 0.000 3.300 279 I HA 0.036 4.213 4.170 0.012 0.000 0.279 279 I C 0.120 176.228 176.117 -0.015 0.000 1.172 279 I CA 0.397 61.696 61.300 -0.002 0.000 1.431 279 I CB 0.259 38.262 38.000 0.004 0.000 1.240 279 I HN 0.715 nan 8.210 nan 0.000 0.453 280 D N -1.397 118.982 120.400 -0.036 0.000 2.895 280 D HA 0.136 4.784 4.640 0.012 0.000 0.320 280 D C 0.223 176.502 176.300 -0.035 0.000 1.249 280 D CA -0.533 53.448 54.000 -0.031 0.000 0.997 280 D CB 0.393 41.172 40.800 -0.035 0.000 1.430 280 D HN -0.253 nan 8.370 nan 0.000 0.558 281 E N -1.059 119.123 120.200 -0.029 0.000 2.331 281 E HA -0.047 4.310 4.350 0.012 0.000 0.199 281 E C 1.092 177.671 176.600 -0.035 0.000 1.008 281 E CA 0.863 57.247 56.400 -0.027 0.000 0.843 281 E CB -0.021 29.666 29.700 -0.021 0.000 0.761 281 E HN 0.187 nan 8.360 nan 0.000 0.507 282 R N -0.127 120.343 120.500 -0.050 0.000 2.388 282 R HA 0.285 4.633 4.340 0.012 0.000 0.247 282 R C 0.750 177.005 176.300 -0.075 0.000 0.931 282 R CA 0.615 56.679 56.100 -0.060 0.000 1.082 282 R CB 0.294 30.552 30.300 -0.071 0.000 1.135 282 R HN 0.213 nan 8.270 nan 0.000 0.525 283 G N -0.408 108.352 108.800 -0.068 0.000 2.475 283 G HA2 -0.202 3.766 3.960 0.012 0.000 0.223 283 G HA3 -0.202 3.766 3.960 0.012 0.000 0.223 283 G C -0.020 174.824 174.900 -0.094 0.000 1.201 283 G CA -0.556 44.503 45.100 -0.067 0.000 0.962 283 G HN 0.527 nan 8.290 nan 0.000 0.586 284 G N -2.291 106.449 108.800 -0.099 0.000 3.086 284 G HA2 0.634 4.601 3.960 0.012 0.000 0.282 284 G HA3 0.634 4.601 3.960 0.012 0.000 0.282 284 G C -1.549 173.245 174.900 -0.176 0.000 1.343 284 G CA -0.594 44.437 45.100 -0.116 0.000 0.895 284 G HN 0.805 nan 8.290 nan 0.000 0.557 285 Y N 1.217 121.525 120.300 0.014 0.000 2.504 285 Y HA 0.432 4.988 4.550 0.011 0.000 0.351 285 Y C 1.463 177.381 175.900 0.031 0.000 0.988 285 Y CA 0.228 58.339 58.100 0.019 0.000 1.239 285 Y CB 1.523 39.999 38.460 0.027 0.000 1.128 285 Y HN 0.536 nan 8.280 nan 0.000 0.525 286 A N 1.929 124.823 122.820 0.122 0.000 2.066 286 A HA -0.135 4.192 4.320 0.012 0.000 0.218 286 A C 1.491 179.135 177.584 0.101 0.000 1.157 286 A CA 1.379 53.468 52.037 0.087 0.000 0.670 286 A CB -0.257 18.754 19.000 0.019 0.000 0.804 286 A HN 0.770 nan 8.150 nan 0.000 0.453 287 D N -0.716 119.742 120.400 0.097 0.000 2.336 287 D HA 0.107 4.754 4.640 0.012 0.000 0.228 287 D C 0.459 176.838 176.300 0.131 0.000 1.120 287 D CA -0.005 53.976 54.000 -0.032 0.000 0.839 287 D CB -0.098 40.664 40.800 -0.063 0.000 0.932 287 D HN 0.383 nan 8.370 nan 0.000 0.509 288 R N -0.831 119.862 120.500 0.322 0.000 2.808 288 R HA 0.728 5.075 4.340 0.012 0.000 0.272 288 R C -1.654 174.794 176.300 0.246 0.000 0.995 288 R CA -1.131 55.148 56.100 0.298 0.000 0.917 288 R CB 3.090 33.436 30.300 0.077 0.000 1.217 288 R HN -0.020 nan 8.270 nan 0.000 0.471 289 V N 0.621 120.568 119.914 0.054 0.000 2.891 289 V HA 0.459 4.586 4.120 0.012 0.000 0.304 289 V C -1.478 174.559 176.094 -0.095 0.000 1.171 289 V CA -0.280 61.961 62.300 -0.100 0.000 0.943 289 V CB 2.686 34.279 31.823 -0.384 0.000 1.037 289 V HN 0.805 nan 8.190 nan 0.000 0.427 290 T N 7.657 122.168 114.554 -0.071 0.000 2.786 290 T HA 0.592 4.949 4.350 0.012 0.000 0.283 290 T C -0.836 173.824 174.700 -0.066 0.000 0.992 290 T CA -0.398 61.669 62.100 -0.055 0.000 0.954 290 T CB 0.968 69.820 68.868 -0.028 0.000 0.934 290 T HN 0.424 nan 8.240 nan 0.000 0.440 291 L N 3.676 124.859 121.223 -0.066 0.000 2.322 291 L HA 0.593 4.940 4.340 0.012 0.000 0.279 291 L C 0.490 177.331 176.870 -0.049 0.000 1.036 291 L CA -0.429 54.372 54.840 -0.064 0.000 0.807 291 L CB 1.269 43.286 42.059 -0.071 0.000 1.226 291 L HN 0.547 nan 8.230 nan 0.000 0.433 292 R N 3.936 124.408 120.500 -0.047 0.000 2.476 292 R HA 0.679 5.026 4.340 0.012 0.000 0.305 292 R C -1.205 175.068 176.300 -0.045 0.000 0.965 292 R CA -0.686 55.387 56.100 -0.045 0.000 0.867 292 R CB 2.124 32.398 30.300 -0.043 0.000 1.176 292 R HN 0.471 nan 8.270 nan 0.000 0.447 293 L N 2.647 123.844 121.223 -0.043 0.000 2.341 293 L HA 0.454 4.801 4.340 0.012 0.000 0.278 293 L C -0.237 176.608 176.870 -0.040 0.000 1.005 293 L CA -0.877 53.938 54.840 -0.041 0.000 0.818 293 L CB 1.965 44.004 42.059 -0.033 0.000 1.259 293 L HN 0.535 nan 8.230 nan 0.000 0.418 294 N N 1.606 120.277 118.700 -0.049 0.000 2.499 294 N HA 0.454 5.202 4.740 0.012 0.000 0.281 294 N C -1.111 174.358 175.510 -0.070 0.000 1.098 294 N CA -0.423 52.594 53.050 -0.055 0.000 0.979 294 N CB 1.934 40.392 38.487 -0.050 0.000 1.121 294 N HN 0.207 nan 8.380 nan 0.000 0.466 295 V N 1.828 121.687 119.914 -0.092 0.000 2.462 295 V HA 0.180 4.307 4.120 0.012 0.000 0.288 295 V C -0.252 175.761 176.094 -0.136 0.000 1.020 295 V CA -0.738 61.468 62.300 -0.156 0.000 0.857 295 V CB 1.290 32.918 31.823 -0.325 0.000 1.013 295 V HN 0.663 nan 8.190 nan 0.000 0.431 296 E N 3.893 124.039 120.200 -0.089 0.000 2.338 296 E HA 0.246 4.603 4.350 0.012 0.000 0.272 296 E C 0.019 176.594 176.600 -0.042 0.000 1.029 296 E CA -0.266 56.105 56.400 -0.048 0.000 0.872 296 E CB 0.354 30.037 29.700 -0.029 0.000 1.015 296 E HN 0.679 nan 8.360 nan 0.000 0.417 297 N N 2.497 121.196 118.700 -0.002 0.000 2.669 297 N HA -0.126 4.622 4.740 0.012 0.000 0.266 297 N C -2.410 173.100 175.510 -0.000 0.000 1.024 297 N CA 0.330 53.394 53.050 0.022 0.000 0.766 297 N CB -1.106 37.396 38.487 0.025 0.000 0.898 297 N HN 0.402 nan 8.380 nan 0.000 0.548 298 P HA 0.052 nan 4.420 nan 0.000 0.271 298 P C -0.098 177.229 177.300 0.046 0.000 1.218 298 P CA 0.174 63.172 63.100 -0.171 0.000 0.780 298 P CB 0.894 32.294 31.700 -0.501 0.000 0.901 299 K N 2.976 123.494 120.400 0.197 0.000 2.316 299 K HA 0.286 4.613 4.320 0.012 0.000 0.289 299 K C 0.237 176.999 176.600 0.269 0.000 1.070 299 K CA -0.411 55.990 56.287 0.190 0.000 0.928 299 K CB 0.219 32.802 32.500 0.139 0.000 1.039 299 K HN 0.435 nan 8.250 nan 0.000 0.480 300 L N 2.568 123.871 121.223 0.134 0.000 2.371 300 L HA 0.275 4.622 4.340 0.012 0.000 0.272 300 L C 0.039 176.983 176.870 0.123 0.000 1.124 300 L CA -0.756 54.156 54.840 0.120 0.000 0.816 300 L CB 0.304 42.265 42.059 -0.163 0.000 1.129 300 L HN 0.603 nan 8.230 nan 0.000 0.448 301 W N 3.454 124.782 121.300 0.048 0.000 2.376 301 W HA 0.505 5.172 4.660 0.011 0.000 0.322 301 W C 0.015 176.509 176.519 -0.041 0.000 1.160 301 W CA 0.155 57.524 57.345 0.040 0.000 1.218 301 W CB 1.329 30.864 29.460 0.126 0.000 1.205 301 W HN 0.647 nan 8.180 nan 0.000 0.559 302 S N 2.858 118.032 115.700 -0.876 0.000 2.615 302 S HA 0.565 5.042 4.470 0.012 0.000 0.268 302 S C -0.021 173.866 174.600 -1.187 0.000 1.146 302 S CA -0.363 57.405 58.200 -0.719 0.000 0.818 302 S CB 0.932 63.996 63.200 -0.227 0.000 1.111 302 S HN 1.092 nan 8.310 nan 0.000 0.465 303 A N 0.403 122.654 122.820 -0.949 0.000 2.121 303 A HA 0.090 4.417 4.320 0.012 0.000 0.218 303 A C 1.695 178.955 177.584 -0.540 0.000 1.154 303 A CA 1.430 52.893 52.037 -0.957 0.000 0.679 303 A CB -0.867 17.385 19.000 -1.247 0.000 0.795 303 A HN 0.851 nan 8.150 nan 0.000 0.458 304 E N -0.744 119.265 120.200 -0.317 0.000 2.051 304 E HA 0.034 4.391 4.350 0.012 0.000 0.189 304 E C -0.283 176.168 176.600 -0.248 0.000 0.979 304 E CA 0.536 56.801 56.400 -0.225 0.000 0.803 304 E CB 0.106 29.790 29.700 -0.027 0.000 0.761 304 E HN 0.404 nan 8.360 nan 0.000 0.451 305 I N 2.102 122.518 120.570 -0.257 0.000 2.563 305 I HA 0.151 4.328 4.170 0.012 0.000 0.276 305 I C -2.472 173.437 176.117 -0.348 0.000 1.074 305 I CA -2.353 58.816 61.300 -0.220 0.000 1.124 305 I CB 1.270 39.194 38.000 -0.127 0.000 1.225 305 I HN -0.155 nan 8.210 nan 0.000 0.482 306 P HA 0.047 nan 4.420 nan 0.000 0.231 306 P C -0.211 177.076 177.300 -0.023 0.000 1.756 306 P CA -0.189 62.612 63.100 -0.498 0.000 0.990 306 P CB -0.215 31.331 31.700 -0.257 0.000 1.973 307 N N 1.882 120.603 118.700 0.036 0.000 2.468 307 N HA 0.143 4.890 4.740 0.012 0.000 0.265 307 N C 0.116 175.863 175.510 0.394 0.000 1.199 307 N CA 0.409 53.559 53.050 0.167 0.000 0.928 307 N CB 0.788 39.361 38.487 0.143 0.000 1.059 307 N HN 0.340 nan 8.380 nan 0.000 0.467 308 L N 2.461 123.836 121.223 0.255 0.000 2.388 308 L HA 0.476 4.823 4.340 0.012 0.000 0.264 308 L C -0.888 176.096 176.870 0.190 0.000 0.998 308 L CA -0.862 54.168 54.840 0.317 0.000 0.817 308 L CB 1.328 43.537 42.059 0.250 0.000 1.338 308 L HN 0.382 nan 8.230 nan 0.000 0.414 309 Y N 0.404 120.849 120.300 0.243 0.000 2.621 309 Y HA 0.647 5.204 4.550 0.013 0.000 0.334 309 Y C -0.181 175.834 175.900 0.193 0.000 1.074 309 Y CA -0.881 57.363 58.100 0.240 0.000 1.149 309 Y CB 1.676 40.342 38.460 0.342 0.000 1.302 309 Y HN 0.371 nan 8.280 nan 0.000 0.501 310 R N 1.207 121.933 120.500 0.378 0.000 2.393 310 R HA 0.788 5.136 4.340 0.012 0.000 0.315 310 R C -1.544 174.932 176.300 0.294 0.000 0.952 310 R CA -0.563 55.691 56.100 0.255 0.000 0.842 310 R CB 0.878 31.269 30.300 0.152 0.000 1.163 310 R HN 0.737 nan 8.270 nan 0.000 0.450 311 A N 3.991 126.925 122.820 0.191 0.000 2.276 311 A HA 0.608 4.936 4.320 0.012 0.000 0.316 311 A C -1.007 176.618 177.584 0.069 0.000 1.229 311 A CA -0.636 51.488 52.037 0.146 0.000 0.851 311 A CB 1.179 20.232 19.000 0.088 0.000 1.165 311 A HN 0.491 nan 8.150 nan 0.000 0.513 312 V N 3.579 123.543 119.914 0.083 0.000 2.409 312 V HA 0.355 4.482 4.120 0.012 0.000 0.291 312 V C -0.359 175.704 176.094 -0.053 0.000 1.020 312 V CA -0.494 61.801 62.300 -0.009 0.000 0.848 312 V CB 1.611 33.449 31.823 0.026 0.000 0.990 312 V HN 0.611 nan 8.190 nan 0.000 0.430 313 V N 4.952 124.769 119.914 -0.161 0.000 2.311 313 V HA 0.385 4.512 4.120 0.012 0.000 0.275 313 V C 0.040 176.077 176.094 -0.095 0.000 1.022 313 V CA -0.563 61.618 62.300 -0.198 0.000 0.830 313 V CB 1.032 32.570 31.823 -0.474 0.000 1.012 313 V HN 0.913 nan 8.190 nan 0.000 0.452 314 E N 4.070 124.268 120.200 -0.004 0.000 2.134 314 E HA 0.463 4.820 4.350 0.012 0.000 0.278 314 E C -0.887 175.794 176.600 0.136 0.000 0.959 314 E CA -0.834 55.617 56.400 0.085 0.000 0.783 314 E CB 2.335 32.117 29.700 0.138 0.000 1.095 314 E HN 0.456 nan 8.360 nan 0.000 0.399 315 L N 4.843 126.127 121.223 0.100 0.000 2.264 315 L HA 0.374 4.722 4.340 0.012 0.000 0.289 315 L C -0.932 176.026 176.870 0.146 0.000 1.044 315 L CA 0.087 54.973 54.840 0.077 0.000 0.807 315 L CB -0.070 42.033 42.059 0.073 0.000 1.192 315 L HN 0.664 nan 8.230 nan 0.000 0.425 316 H N 0.291 119.409 119.070 0.081 0.000 2.933 316 H HA 0.741 5.304 4.556 0.012 0.000 0.310 316 H C -0.628 174.777 175.328 0.128 0.000 1.351 316 H CA -0.479 55.618 56.048 0.082 0.000 1.137 316 H CB 0.522 30.311 29.762 0.046 0.000 1.853 316 H HN 0.519 nan 8.280 nan 0.000 0.539 317 T N -2.108 112.609 114.554 0.273 0.000 2.847 317 T HA 0.492 4.849 4.350 0.012 0.000 0.279 317 T C 1.559 176.426 174.700 0.280 0.000 0.984 317 T CA -0.299 61.948 62.100 0.245 0.000 0.988 317 T CB 1.256 70.195 68.868 0.118 0.000 1.040 317 T HN 0.957 nan 8.240 nan 0.000 0.528 318 A N 0.495 123.441 122.820 0.210 0.000 1.948 318 A HA -0.111 4.216 4.320 0.012 0.000 0.220 318 A C 1.826 179.502 177.584 0.153 0.000 1.177 318 A CA 2.098 54.237 52.037 0.169 0.000 0.636 318 A CB -1.085 17.996 19.000 0.134 0.000 0.815 318 A HN 0.929 nan 8.150 nan 0.000 0.449 319 D N -2.524 117.944 120.400 0.114 0.000 2.358 319 D HA 0.359 5.006 4.640 0.012 0.000 0.224 319 D C 0.992 177.319 176.300 0.045 0.000 1.123 319 D CA 0.962 55.001 54.000 0.065 0.000 0.833 319 D CB -0.171 40.648 40.800 0.033 0.000 0.946 319 D HN 0.539 nan 8.370 nan 0.000 0.505 320 G N -0.380 108.465 108.800 0.075 0.000 2.179 320 G HA2 -0.230 3.738 3.960 0.012 0.000 0.220 320 G HA3 -0.230 3.738 3.960 0.012 0.000 0.220 320 G C 0.455 175.349 174.900 -0.010 0.000 0.990 320 G CA 0.094 45.173 45.100 -0.036 0.000 0.646 320 G HN 0.332 nan 8.290 nan 0.000 0.517 321 T N 1.740 116.328 114.554 0.056 0.000 2.761 321 T HA 0.493 4.851 4.350 0.012 0.000 0.296 321 T C 0.324 175.081 174.700 0.095 0.000 0.934 321 T CA -0.119 62.008 62.100 0.046 0.000 1.091 321 T CB 1.837 70.720 68.868 0.026 0.000 0.896 321 T HN 0.561 nan 8.240 nan 0.000 0.515 322 L N 4.825 126.086 121.223 0.064 0.000 2.380 322 L HA 0.376 4.724 4.340 0.012 0.000 0.273 322 L C 0.751 177.670 176.870 0.081 0.000 1.138 322 L CA 0.312 55.206 54.840 0.091 0.000 0.832 322 L CB 0.205 42.292 42.059 0.047 0.000 1.124 322 L HN 0.694 nan 8.230 nan 0.000 0.454 323 I N 2.460 123.088 120.570 0.097 0.000 2.729 323 I HA 0.163 4.340 4.170 0.012 0.000 0.256 323 I C 0.323 176.465 176.117 0.041 0.000 1.115 323 I CA 0.399 61.737 61.300 0.064 0.000 1.446 323 I CB 0.202 38.244 38.000 0.071 0.000 1.176 323 I HN 0.816 nan 8.210 nan 0.000 0.446 324 E N 0.323 120.550 120.200 0.045 0.000 2.422 324 E HA 0.682 5.039 4.350 0.012 0.000 0.280 324 E C -1.692 174.934 176.600 0.043 0.000 1.091 324 E CA -1.027 55.391 56.400 0.030 0.000 0.849 324 E CB 1.750 31.433 29.700 -0.028 0.000 1.353 324 E HN -0.028 nan 8.360 nan 0.000 0.449 325 A N 1.212 124.079 122.820 0.078 0.000 2.486 325 A HA 0.701 5.029 4.320 0.012 0.000 0.300 325 A C -1.181 176.514 177.584 0.185 0.000 1.048 325 A CA -0.736 51.353 52.037 0.088 0.000 0.696 325 A CB 1.857 20.906 19.000 0.083 0.000 1.278 325 A HN 0.499 nan 8.150 nan 0.000 0.405 326 E N -0.303 119.940 120.200 0.072 0.000 2.378 326 E HA 0.872 5.229 4.350 0.012 0.000 0.265 326 E C -0.425 176.218 176.600 0.072 0.000 0.932 326 E CA -0.401 56.106 56.400 0.178 0.000 0.795 326 E CB 2.373 32.068 29.700 -0.008 0.000 1.296 326 E HN 1.329 nan 8.360 nan 0.000 0.438 327 A N -0.212 122.758 122.820 0.249 0.000 2.566 327 A HA 0.729 5.057 4.320 0.012 0.000 0.290 327 A C -1.213 176.551 177.584 0.300 0.000 1.071 327 A CA -0.306 51.794 52.037 0.106 0.000 0.658 327 A CB 0.657 19.629 19.000 -0.046 0.000 1.285 327 A HN 0.909 nan 8.150 nan 0.000 0.427 328 C N -0.727 118.702 119.300 0.215 0.000 3.311 328 C HA 0.799 5.266 4.460 0.012 0.000 0.325 328 C C -1.514 173.564 174.990 0.147 0.000 1.352 328 C CA -0.944 58.209 59.018 0.225 0.000 1.308 328 C CB 1.112 29.013 27.740 0.270 0.000 1.619 328 C HN 0.823 nan 8.230 nan 0.000 0.469 329 D N 1.151 121.626 120.400 0.125 0.000 2.256 329 D HA 0.518 5.165 4.640 0.012 0.000 0.250 329 D C -0.412 175.938 176.300 0.084 0.000 1.093 329 D CA 0.163 54.237 54.000 0.123 0.000 0.882 329 D CB 1.946 42.824 40.800 0.130 0.000 1.185 329 D HN 0.531 nan 8.370 nan 0.000 0.437 330 V N 1.302 121.292 119.914 0.126 0.000 2.448 330 V HA 0.597 4.724 4.120 0.012 0.000 0.295 330 V C 0.638 176.803 176.094 0.118 0.000 1.025 330 V CA -0.811 61.516 62.300 0.044 0.000 0.859 330 V CB 1.893 33.715 31.823 -0.002 0.000 0.988 330 V HN 0.616 nan 8.190 nan 0.000 0.431 331 G N 3.461 112.230 108.800 -0.052 0.000 2.437 331 G HA2 0.589 4.556 3.960 0.012 0.000 0.315 331 G HA3 0.589 4.556 3.960 0.012 0.000 0.315 331 G C -0.893 174.085 174.900 0.129 0.000 1.210 331 G CA -0.383 44.758 45.100 0.070 0.000 0.943 331 G HN 0.446 nan 8.290 nan 0.000 0.471 332 F N 4.062 124.195 119.950 0.305 0.000 2.462 332 F HA 0.401 4.935 4.527 0.011 0.000 0.360 332 F C 1.188 177.247 175.800 0.431 0.000 1.134 332 F CA -0.059 58.185 58.000 0.407 0.000 1.148 332 F CB 0.599 39.846 39.000 0.412 0.000 1.147 332 F HN 0.443 nan 8.300 nan 0.000 0.550 333 R N 3.092 123.907 120.500 0.524 0.000 2.629 333 R HA 0.397 4.745 4.340 0.012 0.000 0.266 333 R C -1.842 174.629 176.300 0.285 0.000 1.051 333 R CA -0.782 55.467 56.100 0.248 0.000 0.895 333 R CB 1.646 32.127 30.300 0.301 0.000 1.246 333 R HN 0.591 nan 8.270 nan 0.000 0.459 334 E N 2.510 122.791 120.200 0.135 0.000 2.187 334 E HA 0.453 4.810 4.350 0.012 0.000 0.268 334 E C -1.277 175.409 176.600 0.144 0.000 0.896 334 E CA -0.897 55.653 56.400 0.250 0.000 0.766 334 E CB 2.117 32.041 29.700 0.372 0.000 1.142 334 E HN 0.403 nan 8.360 nan 0.000 0.408 335 V N 5.627 125.614 119.914 0.122 0.000 2.409 335 V HA 0.573 4.701 4.120 0.012 0.000 0.291 335 V C -0.271 175.867 176.094 0.072 0.000 1.020 335 V CA -0.595 61.746 62.300 0.069 0.000 0.848 335 V CB 1.249 33.091 31.823 0.032 0.000 0.990 335 V HN 0.754 nan 8.190 nan 0.000 0.430 336 R N 4.242 124.781 120.500 0.064 0.000 2.692 336 R HA 0.718 5.065 4.340 0.012 0.000 0.269 336 R C -2.078 174.250 176.300 0.047 0.000 1.030 336 R CA -0.930 55.208 56.100 0.063 0.000 0.882 336 R CB 1.805 32.156 30.300 0.084 0.000 1.250 336 R HN 0.492 nan 8.270 nan 0.000 0.465 337 I N 1.338 121.935 120.570 0.044 0.000 2.339 337 I HA 0.358 4.536 4.170 0.012 0.000 0.290 337 I C -0.588 175.551 176.117 0.037 0.000 0.994 337 I CA -0.405 60.915 61.300 0.033 0.000 1.191 337 I CB 1.790 39.811 38.000 0.034 0.000 1.343 337 I HN 0.680 nan 8.210 nan 0.000 0.458 338 E N 6.058 126.276 120.200 0.031 0.000 2.278 338 E HA 0.232 4.590 4.350 0.012 0.000 0.272 338 E C -0.359 176.255 176.600 0.023 0.000 0.890 338 E CA -0.560 55.859 56.400 0.032 0.000 0.770 338 E CB 1.112 30.837 29.700 0.041 0.000 1.212 338 E HN 0.573 nan 8.360 nan 0.000 0.415 339 N N 3.135 121.848 118.700 0.021 0.000 2.725 339 N HA -0.229 4.519 4.740 0.012 0.000 0.249 339 N C 0.417 175.933 175.510 0.010 0.000 1.103 339 N CA 2.074 55.133 53.050 0.015 0.000 0.707 339 N CB -1.171 37.324 38.487 0.014 0.000 1.043 339 N HN 0.967 nan 8.380 nan 0.000 0.553 340 G N -2.229 106.577 108.800 0.010 0.000 2.157 340 G HA2 -0.272 3.695 3.960 0.012 0.000 0.248 340 G HA3 -0.272 3.695 3.960 0.012 0.000 0.248 340 G C -0.127 174.768 174.900 -0.008 0.000 0.979 340 G CA 0.451 45.553 45.100 0.003 0.000 0.650 340 G HN 0.459 nan 8.290 nan 0.000 0.529 341 L N 0.059 121.279 121.223 -0.006 0.000 2.365 341 L HA 0.694 5.042 4.340 0.012 0.000 0.273 341 L C 0.081 176.941 176.870 -0.015 0.000 1.000 341 L CA -1.338 53.491 54.840 -0.018 0.000 0.819 341 L CB 1.881 43.930 42.059 -0.017 0.000 1.284 341 L HN 0.091 nan 8.230 nan 0.000 0.418 342 L N 4.509 125.711 121.223 -0.034 0.000 2.315 342 L HA 0.414 4.762 4.340 0.012 0.000 0.283 342 L C -0.812 176.038 176.870 -0.033 0.000 1.089 342 L CA 0.418 55.239 54.840 -0.032 0.000 0.833 342 L CB 0.291 42.317 42.059 -0.055 0.000 1.170 342 L HN 0.388 nan 8.230 nan 0.000 0.442 343 L N 6.007 127.228 121.223 -0.004 0.000 2.329 343 L HA 0.514 4.861 4.340 0.012 0.000 0.279 343 L C -0.828 176.053 176.870 0.019 0.000 1.014 343 L CA -0.846 54.001 54.840 0.012 0.000 0.814 343 L CB 1.839 43.928 42.059 0.049 0.000 1.257 343 L HN 0.523 nan 8.230 nan 0.000 0.424 344 L N 4.309 125.549 121.223 0.028 0.000 2.319 344 L HA 0.482 4.829 4.340 0.012 0.000 0.281 344 L C -0.078 176.800 176.870 0.014 0.000 1.005 344 L CA 0.091 54.952 54.840 0.036 0.000 0.828 344 L CB 0.792 42.881 42.059 0.050 0.000 1.227 344 L HN 0.572 nan 8.230 nan 0.000 0.415 345 N N 4.214 122.804 118.700 -0.184 0.000 2.721 345 N HA -0.215 4.532 4.740 0.012 0.000 0.249 345 N C 0.956 176.091 175.510 -0.624 0.000 1.072 345 N CA 1.328 53.921 53.050 -0.761 0.000 0.710 345 N CB -1.288 36.642 38.487 -0.928 0.000 0.993 345 N HN 1.197 nan 8.380 nan 0.000 0.547 346 G N -1.966 106.795 108.800 -0.064 0.000 2.184 346 G HA2 -0.349 3.618 3.960 0.012 0.000 0.264 346 G HA3 -0.349 3.618 3.960 0.012 0.000 0.264 346 G C -0.098 174.840 174.900 0.062 0.000 0.975 346 G CA 0.877 46.041 45.100 0.107 0.000 0.642 346 G HN 0.401 nan 8.290 nan 0.000 0.536 347 K N 0.796 121.230 120.400 0.056 0.000 2.270 347 K HA 0.491 4.818 4.320 0.012 0.000 0.255 347 K C -2.712 173.873 176.600 -0.025 0.000 0.936 347 K CA -2.229 54.058 56.287 0.001 0.000 0.809 347 K CB 2.663 35.114 32.500 -0.081 0.000 1.131 347 K HN 0.087 nan 8.250 nan 0.000 0.427 348 P HA 0.136 nan 4.420 nan 0.000 0.276 348 P C -0.079 177.161 177.300 -0.099 0.000 1.264 348 P CA -0.133 62.927 63.100 -0.067 0.000 0.769 348 P CB 0.500 32.162 31.700 -0.063 0.000 0.840 349 L N 3.685 124.844 121.223 -0.106 0.000 2.472 349 L HA 0.251 4.598 4.340 0.012 0.000 0.260 349 L C 0.762 177.548 176.870 -0.140 0.000 1.209 349 L CA -0.476 54.287 54.840 -0.128 0.000 0.817 349 L CB 0.225 42.171 42.059 -0.189 0.000 1.106 349 L HN 0.295 nan 8.230 nan 0.000 0.479 350 L N 2.974 124.126 121.223 -0.117 0.000 2.471 350 L HA 0.436 4.784 4.340 0.012 0.000 0.263 350 L C -0.720 176.087 176.870 -0.105 0.000 0.985 350 L CA -0.263 54.486 54.840 -0.151 0.000 0.868 350 L CB 1.003 43.007 42.059 -0.093 0.000 1.203 350 L HN 0.243 nan 8.230 nan 0.000 0.429 351 I N 4.708 125.146 120.570 -0.220 0.000 2.421 351 I HA 0.211 4.389 4.170 0.012 0.000 0.291 351 I C 0.658 176.709 176.117 -0.111 0.000 1.089 351 I CA 0.552 61.730 61.300 -0.204 0.000 1.354 351 I CB 0.249 38.002 38.000 -0.412 0.000 1.413 351 I HN 0.432 nan 8.210 nan 0.000 0.513 352 R N 5.197 125.727 120.500 0.050 0.000 3.070 352 R HA 0.469 4.817 4.340 0.012 0.000 0.252 352 R C 0.433 176.819 176.300 0.142 0.000 1.370 352 R CA -0.357 55.819 56.100 0.128 0.000 1.482 352 R CB 0.562 30.762 30.300 -0.167 0.000 1.220 352 R HN 0.795 nan 8.270 nan 0.000 0.622 353 G N 0.087 108.908 108.800 0.036 0.000 2.491 353 G HA2 0.582 4.549 3.960 0.012 0.000 0.327 353 G HA3 0.582 4.549 3.960 0.012 0.000 0.327 353 G C -1.242 173.943 174.900 0.475 0.000 1.189 353 G CA -0.453 44.677 45.100 0.050 0.000 0.956 353 G HN 0.216 nan 8.290 nan 0.000 0.491 354 V N 0.021 120.224 119.914 0.481 0.000 3.012 354 V HA 0.461 4.588 4.120 0.012 0.000 0.307 354 V C -1.233 174.995 176.094 0.223 0.000 1.166 354 V CA -1.221 61.260 62.300 0.301 0.000 0.974 354 V CB 2.260 34.004 31.823 -0.132 0.000 1.040 354 V HN 0.751 nan 8.190 nan 0.000 0.428 355 N N 4.146 122.892 118.700 0.077 0.000 2.499 355 N HA 0.440 5.187 4.740 0.012 0.000 0.281 355 N C -0.720 174.587 175.510 -0.338 0.000 1.098 355 N CA -0.253 52.703 53.050 -0.156 0.000 0.979 355 N CB 1.486 39.837 38.487 -0.227 0.000 1.121 355 N HN 0.637 nan 8.380 nan 0.000 0.466 356 R N 2.223 122.500 120.500 -0.372 0.000 2.502 356 R HA 0.215 4.562 4.340 0.012 0.000 0.298 356 R C -0.943 175.114 176.300 -0.404 0.000 1.018 356 R CA -0.558 55.338 56.100 -0.340 0.000 0.899 356 R CB 0.705 30.798 30.300 -0.346 0.000 1.181 356 R HN 0.571 nan 8.270 nan 0.000 0.444 357 H N 2.130 121.031 119.070 -0.283 0.000 2.505 357 H HA 0.149 4.712 4.556 0.013 0.000 0.355 357 H C -0.472 174.832 175.328 -0.039 0.000 1.179 357 H CA 0.055 56.026 56.048 -0.128 0.000 1.343 357 H CB 1.441 31.182 29.762 -0.036 0.000 1.501 357 H HN 0.576 nan 8.280 nan 0.000 0.569 358 E N 1.982 122.361 120.200 0.297 0.000 2.001 358 E HA 0.109 4.466 4.350 0.012 0.000 0.279 358 E C -0.696 176.041 176.600 0.229 0.000 1.045 358 E CA -0.071 56.427 56.400 0.164 0.000 0.833 358 E CB 0.372 30.187 29.700 0.191 0.000 1.077 358 E HN 0.372 nan 8.360 nan 0.000 0.397 359 H N 1.604 120.717 119.070 0.072 0.000 2.771 359 H HA 0.288 4.852 4.556 0.012 0.000 0.361 359 H C -1.618 173.746 175.328 0.060 0.000 1.108 359 H CA -0.659 55.426 56.048 0.061 0.000 1.201 359 H CB 1.176 30.959 29.762 0.034 0.000 1.681 359 H HN 0.387 nan 8.280 nan 0.000 0.534 360 H N 6.199 124.844 119.070 -0.708 0.000 2.782 360 H HA 0.198 4.761 4.556 0.012 0.000 0.347 360 H C -2.274 172.652 175.328 -0.670 0.000 1.038 360 H CA -2.304 53.446 56.048 -0.497 0.000 1.255 360 H CB 2.720 32.325 29.762 -0.262 0.000 1.623 360 H HN 0.547 nan 8.280 nan 0.000 0.525 361 P HA -0.121 nan 4.420 nan 0.000 0.218 361 P C 1.077 178.315 177.300 -0.104 0.000 1.146 361 P CA 0.983 63.954 63.100 -0.214 0.000 0.813 361 P CB 0.877 32.475 31.700 -0.171 0.000 0.778 362 L N -1.914 119.357 121.223 0.080 0.000 2.362 362 L HA 0.127 4.474 4.340 0.012 0.000 0.204 362 L C 2.481 179.377 176.870 0.043 0.000 1.060 362 L CA 0.539 55.391 54.840 0.019 0.000 0.827 362 L CB -0.762 41.281 42.059 -0.027 0.000 1.027 362 L HN -0.006 nan 8.230 nan 0.000 0.474 363 H N -0.306 118.698 119.070 -0.110 0.000 2.539 363 H HA 0.191 4.754 4.556 0.012 0.000 0.267 363 H C 1.528 176.733 175.328 -0.205 0.000 0.982 363 H CA 0.062 55.969 56.048 -0.234 0.000 1.146 363 H CB 0.486 30.001 29.762 -0.411 0.000 1.382 363 H HN 0.446 nan 8.280 nan 0.000 0.577 364 G N 1.670 110.397 108.800 -0.121 0.000 2.609 364 G HA2 -0.378 3.589 3.960 0.012 0.000 0.288 364 G HA3 -0.378 3.589 3.960 0.012 0.000 0.288 364 G C 0.652 175.469 174.900 -0.138 0.000 1.211 364 G CA 0.382 45.355 45.100 -0.211 0.000 0.963 364 G HN 0.471 nan 8.290 nan 0.000 0.541 365 Q N 0.079 119.832 119.800 -0.078 0.000 2.188 365 Q HA 0.482 4.830 4.340 0.012 0.000 0.212 365 Q C 0.165 176.259 176.000 0.157 0.000 0.846 365 Q CA -0.117 55.692 55.803 0.010 0.000 0.989 365 Q CB 1.672 30.332 28.738 -0.130 0.000 1.114 365 Q HN 0.367 nan 8.270 nan 0.000 0.488 366 V N 2.151 122.131 119.914 0.109 0.000 2.488 366 V HA 0.179 4.307 4.120 0.012 0.000 0.277 366 V C 0.166 176.322 176.094 0.103 0.000 1.046 366 V CA 0.159 62.532 62.300 0.122 0.000 0.986 366 V CB 0.983 32.816 31.823 0.016 0.000 0.989 366 V HN 0.333 nan 8.190 nan 0.000 0.475 367 M N 5.518 125.186 119.600 0.114 0.000 2.404 367 M HA 0.488 4.975 4.480 0.012 0.000 0.338 367 M C -0.447 175.839 176.300 -0.023 0.000 1.150 367 M CA -0.556 54.774 55.300 0.050 0.000 1.016 367 M CB 1.793 34.402 32.600 0.015 0.000 1.672 367 M HN 0.840 nan 8.290 nan 0.000 0.448 368 D N 0.667 121.062 120.400 -0.009 0.000 2.490 368 D HA 0.230 4.877 4.640 0.012 0.000 0.232 368 D C 0.150 176.442 176.300 -0.014 0.000 1.053 368 D CA -0.457 53.536 54.000 -0.012 0.000 0.914 368 D CB 1.833 42.665 40.800 0.054 0.000 1.431 368 D HN 0.695 nan 8.370 nan 0.000 0.483 369 E N 0.152 120.350 120.200 -0.002 0.000 2.085 369 E HA -0.242 4.115 4.350 0.012 0.000 0.194 369 E C 1.685 178.327 176.600 0.070 0.000 0.994 369 E CA 1.473 57.895 56.400 0.036 0.000 0.801 369 E CB 0.199 29.935 29.700 0.060 0.000 0.743 369 E HN 0.438 nan 8.360 nan 0.000 0.453 370 Q N -0.372 119.474 119.800 0.076 0.000 2.030 370 Q HA -0.162 4.185 4.340 0.012 0.000 0.204 370 Q C 2.334 178.388 176.000 0.091 0.000 0.986 370 Q CA 2.095 57.949 55.803 0.084 0.000 0.843 370 Q CB -0.257 28.533 28.738 0.087 0.000 0.904 370 Q HN 0.321 nan 8.270 nan 0.000 0.420 371 T N 1.308 115.926 114.554 0.107 0.000 2.684 371 T HA -0.165 4.192 4.350 0.012 0.000 0.267 371 T C 1.908 176.679 174.700 0.119 0.000 1.036 371 T CA 1.393 63.564 62.100 0.118 0.000 1.148 371 T CB -0.189 68.777 68.868 0.164 0.000 0.863 371 T HN 0.228 nan 8.240 nan 0.000 0.436 372 M N 0.460 120.138 119.600 0.130 0.000 2.117 372 M HA -0.095 4.392 4.480 0.012 0.000 0.262 372 M C 2.494 178.891 176.300 0.161 0.000 1.065 372 M CA 1.304 56.748 55.300 0.240 0.000 1.114 372 M CB -0.608 32.167 32.600 0.292 0.000 1.361 372 M HN 0.094 nan 8.290 nan 0.000 0.408 373 V N 0.306 120.260 119.914 0.068 0.000 2.343 373 V HA -0.303 3.824 4.120 0.012 0.000 0.247 373 V C 2.340 178.402 176.094 -0.053 0.000 1.051 373 V CA 2.155 64.429 62.300 -0.044 0.000 1.036 373 V CB -0.854 30.985 31.823 0.026 0.000 0.654 373 V HN 0.571 nan 8.190 nan 0.000 0.451 374 Q N -0.342 119.479 119.800 0.034 0.000 2.084 374 Q HA -0.262 4.085 4.340 0.012 0.000 0.202 374 Q C 1.929 177.983 176.000 0.089 0.000 0.978 374 Q CA 2.126 57.965 55.803 0.061 0.000 0.844 374 Q CB -0.134 28.654 28.738 0.084 0.000 0.898 374 Q HN 0.621 nan 8.270 nan 0.000 0.426 375 D N 0.447 120.916 120.400 0.115 0.000 2.084 375 D HA -0.138 4.509 4.640 0.012 0.000 0.194 375 D C 1.983 178.219 176.300 -0.107 0.000 0.990 375 D CA 1.250 55.321 54.000 0.118 0.000 0.826 375 D CB -0.229 40.634 40.800 0.106 0.000 0.971 375 D HN 0.361 nan 8.370 nan 0.000 0.453 376 I N 0.834 121.327 120.570 -0.128 0.000 2.208 376 I HA -0.263 3.914 4.170 0.012 0.000 0.245 376 I C 2.471 178.436 176.117 -0.254 0.000 1.097 376 I CA 0.764 61.888 61.300 -0.293 0.000 1.363 376 I CB -0.223 37.480 38.000 -0.495 0.000 1.051 376 I HN 0.002 nan 8.210 nan 0.000 0.413 377 L N 0.088 121.199 121.223 -0.187 0.000 2.046 377 L HA -0.226 4.122 4.340 0.012 0.000 0.208 377 L C 2.561 179.487 176.870 0.094 0.000 1.077 377 L CA 1.388 56.214 54.840 -0.024 0.000 0.747 377 L CB -0.568 41.497 42.059 0.009 0.000 0.896 377 L HN 0.286 nan 8.230 nan 0.000 0.432 378 L N -1.051 120.241 121.223 0.116 0.000 2.093 378 L HA -0.222 4.125 4.340 0.012 0.000 0.208 378 L C 2.673 179.677 176.870 0.225 0.000 1.085 378 L CA 1.249 56.241 54.840 0.253 0.000 0.755 378 L CB -0.337 41.981 42.059 0.432 0.000 0.904 378 L HN 0.295 nan 8.230 nan 0.000 0.435 379 M N -0.471 119.069 119.600 -0.100 0.000 2.067 379 M HA -0.229 4.258 4.480 0.012 0.000 0.260 379 M C 2.299 178.649 176.300 0.082 0.000 1.069 379 M CA 1.883 57.030 55.300 -0.255 0.000 1.117 379 M CB -0.335 31.894 32.600 -0.619 0.000 1.334 379 M HN 0.070 nan 8.290 nan 0.000 0.407 380 K N -0.046 120.324 120.400 -0.049 0.000 2.097 380 K HA -0.166 4.161 4.320 0.012 0.000 0.205 380 K C 1.956 178.550 176.600 -0.010 0.000 1.050 380 K CA 1.216 57.388 56.287 -0.192 0.000 0.938 380 K CB -0.189 32.008 32.500 -0.505 0.000 0.718 380 K HN 0.441 nan 8.250 nan 0.000 0.442 381 Q N 0.326 120.296 119.800 0.284 0.000 2.291 381 Q HA -0.036 4.312 4.340 0.012 0.000 0.205 381 Q C 0.693 177.012 176.000 0.532 0.000 0.970 381 Q CA 0.728 56.831 55.803 0.500 0.000 0.876 381 Q CB 0.177 29.170 28.738 0.425 0.000 0.935 381 Q HN 0.255 nan 8.270 nan 0.000 0.455 382 N N 0.731 119.685 118.700 0.423 0.000 2.328 382 N HA 0.062 4.809 4.740 0.012 0.000 0.247 382 N C -0.768 174.876 175.510 0.224 0.000 1.165 382 N CA 0.002 53.296 53.050 0.406 0.000 0.873 382 N CB 0.681 39.485 38.487 0.529 0.000 1.125 382 N HN 0.148 nan 8.380 nan 0.000 0.513 383 N N 0.383 119.207 118.700 0.206 0.000 2.735 383 N HA -0.198 4.550 4.740 0.012 0.000 0.248 383 N C -0.995 174.449 175.510 -0.109 0.000 1.083 383 N CA 0.914 54.029 53.050 0.108 0.000 0.703 383 N CB -1.691 36.774 38.487 -0.036 0.000 1.005 383 N HN 0.272 nan 8.380 nan 0.000 0.550 384 F N 0.854 120.811 119.950 0.012 0.000 2.399 384 F HA 0.331 4.865 4.527 0.012 0.000 0.334 384 F C 1.682 177.462 175.800 -0.034 0.000 1.097 384 F CA -0.765 57.223 58.000 -0.019 0.000 1.076 384 F CB 1.022 39.984 39.000 -0.063 0.000 1.162 384 F HN 0.035 nan 8.300 nan 0.000 0.495 385 N N 0.858 119.659 118.700 0.168 0.000 2.143 385 N HA 0.434 5.181 4.740 0.012 0.000 0.222 385 N C -0.847 174.702 175.510 0.064 0.000 1.264 385 N CA -0.018 53.062 53.050 0.050 0.000 0.897 385 N CB 0.778 39.350 38.487 0.142 0.000 1.092 385 N HN 0.460 nan 8.380 nan 0.000 0.516 386 A N -0.505 122.426 122.820 0.185 0.000 2.594 386 A HA 0.756 5.083 4.320 0.012 0.000 0.295 386 A C -1.742 176.054 177.584 0.353 0.000 1.071 386 A CA -0.699 51.514 52.037 0.293 0.000 0.685 386 A CB 1.853 21.058 19.000 0.341 0.000 1.285 386 A HN 0.178 nan 8.150 nan 0.000 0.405 387 V N 1.172 121.344 119.914 0.432 0.000 2.971 387 V HA 0.813 4.940 4.120 0.012 0.000 0.309 387 V C -0.719 175.529 176.094 0.257 0.000 1.130 387 V CA -0.739 61.773 62.300 0.353 0.000 0.964 387 V CB 1.982 33.949 31.823 0.239 0.000 1.029 387 V HN 1.097 nan 8.190 nan 0.000 0.427 388 R N 4.571 125.086 120.500 0.024 0.000 2.387 388 R HA 0.478 4.825 4.340 0.012 0.000 0.314 388 R C -0.809 175.360 176.300 -0.219 0.000 0.958 388 R CA -0.511 55.435 56.100 -0.257 0.000 0.846 388 R CB 1.211 31.152 30.300 -0.598 0.000 1.147 388 R HN 0.811 nan 8.270 nan 0.000 0.447 389 C N 4.217 123.413 119.300 -0.174 0.000 3.183 389 C HA 0.102 4.570 4.460 0.012 0.000 0.545 389 C C 0.670 175.384 174.990 -0.460 0.000 1.044 389 C CA -0.442 58.415 59.018 -0.268 0.000 1.117 389 C CB -2.131 25.566 27.740 -0.072 0.000 1.393 389 C HN 0.687 nan 8.230 nan 0.000 0.611 390 S N 1.348 116.660 115.700 -0.647 0.000 2.465 390 S HA 0.184 4.662 4.470 0.012 0.000 0.280 390 S C -0.156 173.558 174.600 -1.477 0.000 1.232 390 S CA 0.143 57.721 58.200 -1.038 0.000 1.066 390 S CB 0.068 62.618 63.200 -1.084 0.000 0.929 390 S HN 0.724 nan 8.310 nan 0.000 0.494 391 H N 3.898 122.339 119.070 -1.048 0.000 2.439 391 H HA 0.319 4.882 4.556 0.012 0.000 0.228 391 H C -1.173 174.024 175.328 -0.219 0.000 1.423 391 H CA -0.351 55.475 56.048 -0.371 0.000 1.386 391 H CB -0.068 29.684 29.762 -0.015 0.000 1.641 391 H HN 0.891 nan 8.280 nan 0.000 0.508 392 Y N -2.827 117.580 120.300 0.178 0.000 2.765 392 Y HA 0.369 4.926 4.550 0.013 0.000 0.350 392 Y C -3.387 172.625 175.900 0.187 0.000 1.196 392 Y CA -3.047 55.168 58.100 0.191 0.000 1.119 392 Y CB -0.034 38.546 38.460 0.199 0.000 1.368 392 Y HN -0.067 nan 8.280 nan 0.000 0.463 393 P HA 0.143 nan 4.420 nan 0.000 0.265 393 P C -0.514 177.079 177.300 0.488 0.000 1.193 393 P CA 0.294 63.654 63.100 0.433 0.000 0.765 393 P CB 0.541 32.426 31.700 0.308 0.000 0.823 394 N N 0.677 119.675 118.700 0.497 0.000 2.405 394 N HA 0.073 4.821 4.740 0.012 0.000 0.269 394 N C 0.153 175.899 175.510 0.392 0.000 1.249 394 N CA -0.602 52.644 53.050 0.327 0.000 0.974 394 N CB 0.271 38.729 38.487 -0.048 0.000 1.204 394 N HN 0.597 nan 8.380 nan 0.000 0.565 395 H N 2.396 121.571 119.070 0.174 0.000 3.034 395 H HA 0.004 4.568 4.556 0.012 0.000 0.324 395 H C -1.590 173.906 175.328 0.281 0.000 1.015 395 H CA -0.964 55.176 56.048 0.153 0.000 1.429 395 H CB 0.967 30.787 29.762 0.097 0.000 1.429 395 H HN 0.440 nan 8.280 nan 0.000 0.585 396 P HA -0.231 nan 4.420 nan 0.000 0.217 396 P C 1.748 179.355 177.300 0.512 0.000 1.148 396 P CA 0.792 64.141 63.100 0.415 0.000 0.834 396 P CB 0.278 32.072 31.700 0.157 0.000 0.783 397 L N -0.954 120.647 121.223 0.630 0.000 2.201 397 L HA -0.043 4.304 4.340 0.012 0.000 0.212 397 L C 2.476 179.505 176.870 0.265 0.000 1.105 397 L CA 1.343 56.413 54.840 0.384 0.000 0.775 397 L CB -1.501 40.720 42.059 0.269 0.000 0.913 397 L HN 0.021 nan 8.230 nan 0.000 0.440 398 W N -0.364 120.966 121.300 0.049 0.000 2.318 398 W HA -0.349 4.318 4.660 0.012 0.000 0.313 398 W C 2.119 178.500 176.519 -0.231 0.000 1.221 398 W CA 2.109 59.354 57.345 -0.166 0.000 1.266 398 W CB -0.441 28.814 29.460 -0.341 0.000 1.150 398 W HN 0.274 nan 8.180 nan 0.000 0.496 399 Y N 0.726 120.962 120.300 -0.107 0.000 2.224 399 Y HA -0.210 4.347 4.550 0.012 0.000 0.289 399 Y C 2.853 178.547 175.900 -0.344 0.000 1.146 399 Y CA 2.141 59.989 58.100 -0.420 0.000 1.182 399 Y CB -1.259 36.674 38.460 -0.879 0.000 0.983 399 Y HN -0.208 nan 8.280 nan 0.000 0.524 400 T N 0.594 115.155 114.554 0.013 0.000 2.746 400 T HA -0.141 4.217 4.350 0.012 0.000 0.267 400 T C 1.988 176.728 174.700 0.066 0.000 1.039 400 T CA 1.295 63.477 62.100 0.138 0.000 1.142 400 T CB -0.502 68.495 68.868 0.215 0.000 0.866 400 T HN 0.239 nan 8.240 nan 0.000 0.444 401 L N 0.304 121.520 121.223 -0.011 0.000 2.093 401 L HA -0.085 4.263 4.340 0.012 0.000 0.208 401 L C 2.825 179.675 176.870 -0.033 0.000 1.085 401 L CA 0.858 55.712 54.840 0.023 0.000 0.755 401 L CB -0.664 41.360 42.059 -0.058 0.000 0.904 401 L HN 0.370 nan 8.230 nan 0.000 0.435 402 C N -0.296 118.827 119.300 -0.294 0.000 2.435 402 C HA -0.127 4.340 4.460 0.012 0.000 0.279 402 C C 2.415 177.459 174.990 0.090 0.000 1.321 402 C CA 0.324 59.202 59.018 -0.234 0.000 1.752 402 C CB -0.741 26.747 27.740 -0.420 0.000 1.959 402 C HN 0.535 nan 8.230 nan 0.000 0.500 403 D N 0.580 121.043 120.400 0.106 0.000 2.097 403 D HA -0.098 4.549 4.640 0.012 0.000 0.195 403 D C 2.387 178.906 176.300 0.364 0.000 0.989 403 D CA 1.220 55.360 54.000 0.233 0.000 0.827 403 D CB -0.333 40.554 40.800 0.145 0.000 0.966 403 D HN 0.539 nan 8.370 nan 0.000 0.456 404 R N -0.876 119.730 120.500 0.176 0.000 2.100 404 R HA -0.014 4.333 4.340 0.012 0.000 0.220 404 R C 2.167 178.440 176.300 -0.045 0.000 1.091 404 R CA 0.585 56.720 56.100 0.060 0.000 0.986 404 R CB -0.198 30.066 30.300 -0.059 0.000 0.888 404 R HN 0.255 nan 8.270 nan 0.000 0.444 405 Y N 0.079 120.388 120.300 0.014 0.000 2.420 405 Y HA 0.162 4.720 4.550 0.012 0.000 0.292 405 Y C 1.058 176.880 175.900 -0.130 0.000 1.119 405 Y CA 0.962 59.038 58.100 -0.039 0.000 1.229 405 Y CB 0.466 38.876 38.460 -0.083 0.000 1.026 405 Y HN 0.257 nan 8.280 nan 0.000 0.554 406 G N 1.105 109.925 108.800 0.034 0.000 2.894 406 G HA2 -0.155 3.812 3.960 0.012 0.000 0.263 406 G HA3 -0.155 3.812 3.960 0.012 0.000 0.263 406 G C -1.081 173.637 174.900 -0.304 0.000 1.013 406 G CA -0.446 44.532 45.100 -0.204 0.000 1.226 406 G HN 0.169 nan 8.290 nan 0.000 0.563 407 L N 1.035 122.162 121.223 -0.159 0.000 2.445 407 L HA 0.520 4.867 4.340 0.012 0.000 0.262 407 L C -0.372 176.495 176.870 -0.005 0.000 0.974 407 L CA -1.401 53.313 54.840 -0.209 0.000 0.822 407 L CB 1.887 43.851 42.059 -0.158 0.000 1.339 407 L HN 0.328 nan 8.230 nan 0.000 0.409 408 Y N 1.784 122.208 120.300 0.205 0.000 2.335 408 Y HA 0.397 4.955 4.550 0.014 0.000 0.331 408 Y C 0.250 176.284 175.900 0.223 0.000 1.094 408 Y CA -0.590 57.670 58.100 0.267 0.000 1.253 408 Y CB 1.113 39.708 38.460 0.226 0.000 1.203 408 Y HN 0.095 nan 8.280 nan 0.000 0.508 409 V N 4.120 124.233 119.914 0.331 0.000 2.604 409 V HA 0.399 4.526 4.120 0.012 0.000 0.305 409 V C -0.601 175.577 176.094 0.141 0.000 1.043 409 V CA -1.071 61.362 62.300 0.223 0.000 0.888 409 V CB 1.996 33.921 31.823 0.169 0.000 0.995 409 V HN 0.463 nan 8.190 nan 0.000 0.429 410 V N 3.392 123.360 119.914 0.090 0.000 2.333 410 V HA 0.316 4.443 4.120 0.012 0.000 0.274 410 V C -0.256 175.873 176.094 0.059 0.000 1.028 410 V CA -0.362 61.938 62.300 -0.001 0.000 0.851 410 V CB 1.411 33.123 31.823 -0.185 0.000 1.000 410 V HN 0.875 nan 8.190 nan 0.000 0.456 411 D N 4.290 124.756 120.400 0.110 0.000 2.277 411 D HA 0.282 4.930 4.640 0.012 0.000 0.249 411 D C -0.203 176.283 176.300 0.310 0.000 1.134 411 D CA 0.012 54.176 54.000 0.273 0.000 0.863 411 D CB 1.205 42.198 40.800 0.321 0.000 1.143 411 D HN 0.663 nan 8.370 nan 0.000 0.458 412 E N 1.756 122.111 120.200 0.257 0.000 2.210 412 E HA 0.607 4.964 4.350 0.012 0.000 0.266 412 E C -0.980 175.767 176.600 0.244 0.000 0.883 412 E CA -1.068 55.471 56.400 0.232 0.000 0.761 412 E CB 1.402 31.191 29.700 0.148 0.000 1.156 412 E HN 0.485 nan 8.360 nan 0.000 0.412 413 A N 3.705 126.663 122.820 0.229 0.000 2.483 413 A HA 0.037 4.364 4.320 0.012 0.000 0.238 413 A C 0.342 178.060 177.584 0.223 0.000 1.070 413 A CA -0.197 51.956 52.037 0.193 0.000 0.770 413 A CB 0.129 19.209 19.000 0.132 0.000 1.008 413 A HN 0.685 nan 8.150 nan 0.000 0.497 414 N N 1.412 120.253 118.700 0.235 0.000 2.971 414 N HA 0.231 4.978 4.740 0.012 0.000 0.294 414 N C -0.992 174.654 175.510 0.227 0.000 1.210 414 N CA 0.256 53.477 53.050 0.286 0.000 1.157 414 N CB -0.856 37.799 38.487 0.280 0.000 1.450 414 N HN 0.475 nan 8.380 nan 0.000 0.527 415 I N 1.016 121.713 120.570 0.213 0.000 2.497 415 I HA 0.269 4.447 4.170 0.012 0.000 0.284 415 I C -0.655 175.567 176.117 0.174 0.000 1.060 415 I CA -0.652 60.754 61.300 0.178 0.000 1.071 415 I CB 1.730 39.812 38.000 0.136 0.000 1.216 415 I HN 0.262 nan 8.210 nan 0.000 0.442 416 E N 4.348 124.645 120.200 0.161 0.000 2.287 416 E HA 0.371 4.728 4.350 0.012 0.000 0.274 416 E C -0.668 176.001 176.600 0.115 0.000 0.896 416 E CA -0.524 55.944 56.400 0.112 0.000 0.788 416 E CB 1.655 31.400 29.700 0.076 0.000 1.244 416 E HN 0.580 nan 8.360 nan 0.000 0.408 417 T N 0.677 115.290 114.554 0.100 0.000 3.448 417 T HA 0.170 4.527 4.350 0.012 0.000 0.271 417 T C 0.865 175.619 174.700 0.090 0.000 1.002 417 T CA -0.307 61.874 62.100 0.134 0.000 0.995 417 T CB -0.306 68.623 68.868 0.101 0.000 1.153 417 T HN 0.674 nan 8.240 nan 0.000 0.510 418 H N 1.328 120.329 119.070 -0.114 0.000 2.357 418 H HA -0.082 4.482 4.556 0.013 0.000 0.296 418 H C 2.367 177.586 175.328 -0.182 0.000 1.108 418 H CA 1.428 57.380 56.048 -0.161 0.000 1.273 418 H CB -0.240 29.393 29.762 -0.215 0.000 1.367 418 H HN 0.582 nan 8.280 nan 0.000 0.498 419 G N 0.366 109.039 108.800 -0.211 0.000 2.625 419 G HA2 -0.099 3.868 3.960 0.012 0.000 0.214 419 G HA3 -0.099 3.868 3.960 0.012 0.000 0.214 419 G C 0.535 175.531 174.900 0.161 0.000 1.132 419 G CA -0.007 44.977 45.100 -0.194 0.000 0.782 419 G HN 0.164 nan 8.290 nan 0.000 0.538 420 M N 0.269 120.009 119.600 0.232 0.000 2.226 420 M HA 0.332 4.819 4.480 0.012 0.000 0.324 420 M C -0.405 175.933 176.300 0.064 0.000 1.112 420 M CA -0.284 55.113 55.300 0.162 0.000 1.176 420 M CB 1.409 34.062 32.600 0.089 0.000 1.430 420 M HN -0.199 nan 8.290 nan 0.000 0.462 421 V N 3.958 123.890 119.914 0.029 0.000 2.447 421 V HA 0.352 4.479 4.120 0.012 0.000 0.292 421 V C -1.937 174.153 176.094 -0.007 0.000 1.021 421 V CA -1.248 61.055 62.300 0.006 0.000 0.850 421 V CB 1.678 33.500 31.823 -0.002 0.000 1.005 421 V HN 0.738 nan 8.190 nan 0.000 0.426 422 P HA 0.253 nan 4.420 nan 0.000 0.277 422 P C 0.992 178.298 177.300 0.010 0.000 1.276 422 P CA -0.545 62.555 63.100 -0.001 0.000 0.788 422 P CB 1.178 32.878 31.700 -0.000 0.000 1.114 423 M N 0.446 120.057 119.600 0.019 0.000 2.346 423 M HA -0.157 4.330 4.480 0.012 0.000 0.263 423 M C 1.154 177.480 176.300 0.043 0.000 1.064 423 M CA 1.657 56.977 55.300 0.034 0.000 1.083 423 M CB -0.469 32.142 32.600 0.018 0.000 1.399 423 M HN 0.372 nan 8.290 nan 0.000 0.435 424 N N -0.317 118.406 118.700 0.038 0.000 2.279 424 N HA -0.038 4.709 4.740 0.012 0.000 0.226 424 N C 1.051 176.548 175.510 -0.022 0.000 1.126 424 N CA 0.023 53.098 53.050 0.042 0.000 0.846 424 N CB -0.622 37.910 38.487 0.074 0.000 1.050 424 N HN 0.330 nan 8.380 nan 0.000 0.502 425 R N 0.209 120.681 120.500 -0.047 0.000 2.127 425 R HA 0.060 4.407 4.340 0.012 0.000 0.238 425 R C 1.271 177.477 176.300 -0.157 0.000 1.134 425 R CA 1.136 57.186 56.100 -0.084 0.000 0.975 425 R CB 0.085 30.334 30.300 -0.086 0.000 0.865 425 R HN 0.283 nan 8.270 nan 0.000 0.447 426 L N -1.028 120.045 121.223 -0.250 0.000 2.286 426 L HA 0.022 4.370 4.340 0.012 0.000 0.203 426 L C 2.399 179.131 176.870 -0.229 0.000 1.068 426 L CA 1.109 55.676 54.840 -0.454 0.000 0.811 426 L CB -0.421 41.122 42.059 -0.860 0.000 0.989 426 L HN 0.283 nan 8.230 nan 0.000 0.467 427 T N -4.025 110.429 114.554 -0.167 0.000 3.051 427 T HA -0.185 4.172 4.350 0.012 0.000 0.269 427 T C 1.181 175.797 174.700 -0.140 0.000 1.127 427 T CA 1.428 63.417 62.100 -0.185 0.000 1.107 427 T CB -0.244 68.484 68.868 -0.234 0.000 0.898 427 T HN 0.158 nan 8.240 nan 0.000 0.517 428 D N 0.717 121.070 120.400 -0.078 0.000 2.369 428 D HA 0.094 4.742 4.640 0.012 0.000 0.211 428 D C -0.237 176.047 176.300 -0.027 0.000 1.077 428 D CA -0.276 53.689 54.000 -0.058 0.000 0.842 428 D CB 0.022 40.793 40.800 -0.047 0.000 0.947 428 D HN 0.258 nan 8.370 nan 0.000 0.509 429 D N 0.293 120.693 120.400 0.000 0.000 2.359 429 D HA 0.095 4.742 4.640 0.012 0.000 0.230 429 D C -1.516 174.838 176.300 0.090 0.000 1.118 429 D CA -2.178 51.861 54.000 0.064 0.000 0.844 429 D CB 1.882 42.768 40.800 0.143 0.000 1.059 429 D HN 0.030 nan 8.370 nan 0.000 0.493 430 P HA -0.182 nan 4.420 nan 0.000 0.220 430 P C 1.286 178.592 177.300 0.010 0.000 1.144 430 P CA 0.558 63.668 63.100 0.017 0.000 0.800 430 P CB 0.334 32.033 31.700 -0.002 0.000 0.772 431 R N -0.851 119.665 120.500 0.027 0.000 2.189 431 R HA -0.104 4.243 4.340 0.012 0.000 0.223 431 R C 1.084 177.268 176.300 -0.192 0.000 1.092 431 R CA 1.054 57.104 56.100 -0.083 0.000 0.989 431 R CB -0.375 29.868 30.300 -0.095 0.000 0.876 431 R HN 0.216 nan 8.270 nan 0.000 0.457 432 W N -0.175 121.073 121.300 -0.087 0.000 3.239 432 W HA 0.127 4.794 4.660 0.012 0.000 0.348 432 W C 1.303 177.767 176.519 -0.093 0.000 1.183 432 W CA -0.631 56.662 57.345 -0.085 0.000 1.819 432 W CB 0.155 29.564 29.460 -0.085 0.000 1.091 432 W HN 0.061 nan 8.180 nan 0.000 0.629 433 L N 2.115 123.372 121.223 0.057 0.000 2.046 433 L HA -0.010 4.337 4.340 0.012 0.000 0.208 433 L C -0.706 176.134 176.870 -0.050 0.000 1.077 433 L CA 2.191 57.023 54.840 -0.012 0.000 0.747 433 L CB -1.564 40.475 42.059 -0.033 0.000 0.896 433 L HN -0.226 nan 8.230 nan 0.000 0.432 434 P HA -0.139 nan 4.420 nan 0.000 0.214 434 P C 1.626 178.880 177.300 -0.076 0.000 1.163 434 P CA 2.106 65.150 63.100 -0.093 0.000 0.883 434 P CB -0.188 31.445 31.700 -0.112 0.000 0.788 435 A N -1.025 121.768 122.820 -0.046 0.000 1.877 435 A HA -0.215 4.113 4.320 0.012 0.000 0.216 435 A C 2.240 179.845 177.584 0.034 0.000 1.186 435 A CA 2.027 54.072 52.037 0.014 0.000 0.620 435 A CB -1.525 17.531 19.000 0.093 0.000 0.822 435 A HN 0.096 nan 8.150 nan 0.000 0.443 436 M N 0.361 119.988 119.600 0.045 0.000 2.117 436 M HA -0.165 4.323 4.480 0.012 0.000 0.262 436 M C 2.557 178.807 176.300 -0.083 0.000 1.065 436 M CA 1.874 57.173 55.300 -0.001 0.000 1.114 436 M CB -0.419 32.161 32.600 -0.034 0.000 1.361 436 M HN 0.669 nan 8.290 nan 0.000 0.408 437 S N 0.234 115.855 115.700 -0.132 0.000 2.383 437 S HA -0.176 4.301 4.470 0.012 0.000 0.229 437 S C 1.600 176.031 174.600 -0.282 0.000 1.030 437 S CA 1.402 59.453 58.200 -0.247 0.000 1.002 437 S CB -0.691 62.344 63.200 -0.275 0.000 0.829 437 S HN 0.522 nan 8.310 nan 0.000 0.467 438 E N 1.221 121.308 120.200 -0.187 0.000 2.150 438 E HA -0.068 4.289 4.350 0.012 0.000 0.193 438 E C 2.383 178.904 176.600 -0.133 0.000 0.985 438 E CA 0.813 57.112 56.400 -0.168 0.000 0.814 438 E CB -0.157 29.480 29.700 -0.106 0.000 0.752 438 E HN 0.598 nan 8.360 nan 0.000 0.466 439 R N 0.241 120.693 120.500 -0.080 0.000 2.148 439 R HA -0.037 4.310 4.340 0.012 0.000 0.223 439 R C 2.287 178.555 176.300 -0.052 0.000 1.088 439 R CA 0.548 56.633 56.100 -0.026 0.000 0.985 439 R CB 0.078 30.402 30.300 0.039 0.000 0.880 439 R HN 0.005 nan 8.270 nan 0.000 0.451 440 V N 0.287 120.125 119.914 -0.126 0.000 2.374 440 V HA -0.179 3.948 4.120 0.012 0.000 0.241 440 V C 2.550 178.480 176.094 -0.274 0.000 1.034 440 V CA 2.165 64.372 62.300 -0.156 0.000 1.037 440 V CB -0.326 31.399 31.823 -0.163 0.000 0.682 440 V HN 0.493 nan 8.190 nan 0.000 0.463 441 T N -0.646 113.613 114.554 -0.493 0.000 2.746 441 T HA -0.239 4.119 4.350 0.012 0.000 0.267 441 T C 1.920 176.465 174.700 -0.258 0.000 1.039 441 T CA 1.402 63.117 62.100 -0.640 0.000 1.142 441 T CB -0.425 67.849 68.868 -0.990 0.000 0.866 441 T HN 0.395 nan 8.240 nan 0.000 0.444 442 R N 0.171 120.544 120.500 -0.211 0.000 2.189 442 R HA 0.231 4.578 4.340 0.012 0.000 0.218 442 R C 2.570 178.799 176.300 -0.117 0.000 1.074 442 R CA 1.168 57.182 56.100 -0.143 0.000 0.991 442 R CB -0.401 29.822 30.300 -0.127 0.000 0.883 442 R HN 0.512 nan 8.270 nan 0.000 0.457 443 M N 0.371 119.908 119.600 -0.106 0.000 2.160 443 M HA -0.101 4.386 4.480 0.012 0.000 0.264 443 M C 1.825 178.060 176.300 -0.108 0.000 1.073 443 M CA 1.525 56.795 55.300 -0.050 0.000 1.142 443 M CB 0.161 32.774 32.600 0.022 0.000 1.358 443 M HN -0.045 nan 8.290 nan 0.000 0.422 444 V N 1.257 120.991 119.914 -0.300 0.000 2.343 444 V HA -0.291 3.836 4.120 0.012 0.000 0.247 444 V C 2.255 178.240 176.094 -0.182 0.000 1.051 444 V CA 2.002 63.986 62.300 -0.527 0.000 1.036 444 V CB -0.935 30.543 31.823 -0.575 0.000 0.654 444 V HN 0.594 nan 8.190 nan 0.000 0.451 445 Q N -0.747 118.987 119.800 -0.110 0.000 2.226 445 Q HA -0.206 4.141 4.340 0.012 0.000 0.204 445 Q C 2.430 178.355 176.000 -0.125 0.000 0.975 445 Q CA 1.338 57.089 55.803 -0.087 0.000 0.866 445 Q CB -0.144 28.564 28.738 -0.049 0.000 0.915 445 Q HN 0.538 nan 8.270 nan 0.000 0.440 446 R N 0.304 120.728 120.500 -0.126 0.000 2.090 446 R HA -0.066 4.282 4.340 0.012 0.000 0.219 446 R C 0.395 176.637 176.300 -0.097 0.000 1.100 446 R CA 1.143 57.149 56.100 -0.156 0.000 0.991 446 R CB 0.522 30.729 30.300 -0.156 0.000 0.893 446 R HN 0.155 nan 8.270 nan 0.000 0.443 447 D N -0.002 120.400 120.400 0.002 0.000 2.395 447 D HA 0.004 4.651 4.640 0.012 0.000 0.213 447 D C 1.175 177.587 176.300 0.187 0.000 1.110 447 D CA 0.032 54.081 54.000 0.082 0.000 0.835 447 D CB 0.302 41.047 40.800 -0.091 0.000 0.965 447 D HN 0.361 nan 8.370 nan 0.000 0.505 448 R N 0.685 121.301 120.500 0.193 0.000 2.293 448 R HA 0.007 4.354 4.340 0.012 0.000 0.219 448 R C 0.706 177.008 176.300 0.002 0.000 1.091 448 R CA 0.867 57.086 56.100 0.200 0.000 1.004 448 R CB -0.281 30.060 30.300 0.069 0.000 0.865 448 R HN -0.078 nan 8.270 nan 0.000 0.469 449 N N 0.198 118.829 118.700 -0.114 0.000 2.280 449 N HA 0.004 4.752 4.740 0.012 0.000 0.192 449 N C -0.504 174.874 175.510 -0.220 0.000 1.109 449 N CA 0.186 53.139 53.050 -0.162 0.000 0.855 449 N CB 0.153 38.534 38.487 -0.176 0.000 0.974 449 N HN 0.280 nan 8.380 nan 0.000 0.482 450 H N 1.756 120.772 119.070 -0.090 0.000 2.800 450 H HA 0.097 4.661 4.556 0.012 0.000 0.291 450 H C -1.166 174.019 175.328 -0.238 0.000 1.076 450 H CA -1.185 54.791 56.048 -0.120 0.000 1.452 450 H CB 1.451 31.177 29.762 -0.059 0.000 1.461 450 H HN 0.078 nan 8.280 nan 0.000 0.488 451 P HA -0.154 nan 4.420 nan 0.000 0.220 451 P C 1.402 178.212 177.300 -0.817 0.000 1.148 451 P CA 1.069 63.804 63.100 -0.607 0.000 0.803 451 P CB 0.335 31.477 31.700 -0.931 0.000 0.782 452 S N -0.542 114.789 115.700 -0.615 0.000 2.399 452 S HA -0.046 4.431 4.470 0.012 0.000 0.231 452 S C 1.172 175.772 174.600 -0.001 0.000 1.022 452 S CA 0.406 58.462 58.200 -0.239 0.000 0.983 452 S CB -1.550 61.670 63.200 0.032 0.000 0.803 452 S HN -0.053 nan 8.310 nan 0.000 0.480 453 V N 3.852 123.729 119.914 -0.061 0.000 2.446 453 V HA 0.207 4.335 4.120 0.012 0.000 0.276 453 V C 1.097 177.066 176.094 -0.208 0.000 1.030 453 V CA 0.128 62.357 62.300 -0.119 0.000 1.033 453 V CB 0.248 31.916 31.823 -0.258 0.000 0.993 453 V HN 0.644 nan 8.190 nan 0.000 0.477 454 I N 2.582 123.078 120.570 -0.123 0.000 4.288 454 I HA 0.516 4.693 4.170 0.012 0.000 0.331 454 I C 0.329 176.339 176.117 -0.178 0.000 1.322 454 I CA 0.437 61.671 61.300 -0.110 0.000 1.149 454 I CB 0.517 38.531 38.000 0.023 0.000 1.112 454 I HN 0.324 nan 8.210 nan 0.000 0.403 455 I N 0.352 120.784 120.570 -0.229 0.000 2.692 455 I HA 0.350 4.527 4.170 0.012 0.000 0.293 455 I C -1.585 174.415 176.117 -0.196 0.000 1.200 455 I CA -0.396 60.805 61.300 -0.166 0.000 1.036 455 I CB 2.067 40.064 38.000 -0.005 0.000 1.258 455 I HN 0.024 nan 8.210 nan 0.000 0.421 456 W N 4.052 125.402 121.300 0.085 0.000 2.438 456 W HA 0.618 5.284 4.660 0.010 0.000 0.324 456 W C 0.432 177.017 176.519 0.111 0.000 1.119 456 W CA -0.602 56.800 57.345 0.095 0.000 1.221 456 W CB 1.662 31.175 29.460 0.089 0.000 1.253 456 W HN 0.304 nan 8.180 nan 0.000 0.555 457 S N 2.745 118.677 115.700 0.386 0.000 2.500 457 S HA 0.421 4.898 4.470 0.012 0.000 0.301 457 S C 0.235 175.007 174.600 0.286 0.000 1.092 457 S CA -0.713 57.660 58.200 0.289 0.000 1.030 457 S CB 0.801 64.123 63.200 0.203 0.000 1.031 457 S HN 0.576 nan 8.310 nan 0.000 0.483 458 L N 4.074 125.461 121.223 0.274 0.000 2.599 458 L HA 0.359 4.706 4.340 0.012 0.000 0.230 458 L C 1.366 178.323 176.870 0.145 0.000 1.141 458 L CA 0.426 55.357 54.840 0.152 0.000 0.877 458 L CB -1.129 40.925 42.059 -0.009 0.000 1.009 458 L HN 0.994 nan 8.230 nan 0.000 0.447 459 G N -0.703 108.260 108.800 0.271 0.000 2.306 459 G HA2 -0.053 3.914 3.960 0.012 0.000 0.262 459 G HA3 -0.053 3.914 3.960 0.012 0.000 0.262 459 G C -0.740 174.360 174.900 0.334 0.000 1.263 459 G CA -0.214 45.047 45.100 0.267 0.000 1.088 459 G HN -0.018 nan 8.290 nan 0.000 0.489 460 T N -0.275 114.411 114.554 0.219 0.000 2.853 460 T HA 0.537 4.894 4.350 0.012 0.000 0.311 460 T C -0.631 174.032 174.700 -0.062 0.000 1.307 460 T CA 0.634 62.727 62.100 -0.012 0.000 1.019 460 T CB 1.174 69.800 68.868 -0.403 0.000 1.264 460 T HN 1.393 nan 8.240 nan 0.000 0.497 461 E N 1.327 121.388 120.200 -0.231 0.000 2.106 461 E HA -0.145 4.212 4.350 0.012 0.000 0.175 461 E C -0.416 176.119 176.600 -0.108 0.000 1.448 461 E CA 0.642 56.846 56.400 -0.328 0.000 0.672 461 E CB -1.317 27.970 29.700 -0.688 0.000 1.057 461 E HN 0.391 nan 8.360 nan 0.000 0.321 462 S N -0.066 115.699 115.700 0.107 0.000 3.021 462 S HA 0.391 4.868 4.470 0.012 0.000 0.252 462 S C 0.638 175.407 174.600 0.283 0.000 0.996 462 S CA -0.186 58.142 58.200 0.212 0.000 1.084 462 S CB 1.401 64.797 63.200 0.326 0.000 1.021 462 S HN 0.863 nan 8.310 nan 0.000 0.566 463 G N 1.997 110.897 108.800 0.166 0.000 2.633 463 G HA2 -0.271 3.697 3.960 0.012 0.000 0.263 463 G HA3 -0.271 3.697 3.960 0.012 0.000 0.263 463 G C -0.522 174.584 174.900 0.344 0.000 1.310 463 G CA -0.112 45.091 45.100 0.171 0.000 0.914 463 G HN 0.644 nan 8.290 nan 0.000 0.569 464 H N 0.431 119.618 119.070 0.194 0.000 2.800 464 H HA 0.571 5.134 4.556 0.012 0.000 0.322 464 H C 0.367 175.843 175.328 0.246 0.000 0.979 464 H CA -0.135 56.064 56.048 0.251 0.000 1.277 464 H CB 0.618 30.469 29.762 0.149 0.000 1.484 464 H HN 1.000 nan 8.280 nan 0.000 0.512 465 G N 1.572 110.465 108.800 0.155 0.000 2.630 465 G HA2 0.439 4.406 3.960 0.012 0.000 0.296 465 G HA3 0.439 4.406 3.960 0.012 0.000 0.296 465 G C 0.604 175.403 174.900 -0.168 0.000 1.285 465 G CA -0.152 44.890 45.100 -0.096 0.000 0.958 465 G HN 0.682 nan 8.290 nan 0.000 0.479 466 A N 0.469 123.202 122.820 -0.145 0.000 1.986 466 A HA -0.136 4.192 4.320 0.012 0.000 0.220 466 A C 2.150 179.708 177.584 -0.044 0.000 1.171 466 A CA 2.076 54.064 52.037 -0.082 0.000 0.640 466 A CB -0.453 18.517 19.000 -0.050 0.000 0.811 466 A HN 0.544 nan 8.150 nan 0.000 0.451 467 N N -0.415 118.226 118.700 -0.099 0.000 2.166 467 N HA -0.136 4.611 4.740 0.012 0.000 0.186 467 N C 1.409 176.850 175.510 -0.115 0.000 1.019 467 N CA 1.728 54.702 53.050 -0.126 0.000 0.856 467 N CB -0.672 37.697 38.487 -0.197 0.000 0.993 467 N HN 0.792 nan 8.380 nan 0.000 0.426 468 H N 0.282 119.338 119.070 -0.023 0.000 2.357 468 H HA -0.017 4.546 4.556 0.012 0.000 0.301 468 H C 1.260 176.654 175.328 0.110 0.000 1.082 468 H CA 1.239 57.279 56.048 -0.013 0.000 1.342 468 H CB 0.147 29.895 29.762 -0.022 0.000 1.389 468 H HN 0.183 nan 8.280 nan 0.000 0.511 469 D N 0.371 120.922 120.400 0.252 0.000 2.117 469 D HA -0.133 4.514 4.640 0.012 0.000 0.197 469 D C 2.303 178.750 176.300 0.246 0.000 0.987 469 D CA 1.178 55.325 54.000 0.245 0.000 0.829 469 D CB -0.361 40.547 40.800 0.179 0.000 0.961 469 D HN 0.429 nan 8.370 nan 0.000 0.460 470 A N 0.926 123.839 122.820 0.157 0.000 1.877 470 A HA -0.120 4.208 4.320 0.012 0.000 0.216 470 A C 2.428 180.117 177.584 0.176 0.000 1.186 470 A CA 0.951 53.071 52.037 0.138 0.000 0.620 470 A CB -0.805 18.235 19.000 0.066 0.000 0.822 470 A HN 0.198 nan 8.150 nan 0.000 0.443 471 L N -1.944 119.365 121.223 0.143 0.000 2.141 471 L HA -0.155 4.192 4.340 0.012 0.000 0.209 471 L C 2.588 179.603 176.870 0.243 0.000 1.094 471 L CA 1.561 56.491 54.840 0.149 0.000 0.763 471 L CB -0.679 41.402 42.059 0.038 0.000 0.908 471 L HN 0.642 nan 8.230 nan 0.000 0.437 472 Y N 1.274 121.660 120.300 0.142 0.000 2.145 472 Y HA -0.312 4.243 4.550 0.009 0.000 0.286 472 Y C 2.812 178.794 175.900 0.136 0.000 1.145 472 Y CA 1.717 59.903 58.100 0.143 0.000 1.148 472 Y CB -0.167 38.378 38.460 0.141 0.000 0.981 472 Y HN -0.050 nan 8.280 nan 0.000 0.507 473 R N -0.112 120.482 120.500 0.156 0.000 2.096 473 R HA -0.202 4.146 4.340 0.012 0.000 0.235 473 R C 2.032 178.324 176.300 -0.013 0.000 1.127 473 R CA 1.911 58.025 56.100 0.023 0.000 0.968 473 R CB -1.410 28.986 30.300 0.160 0.000 0.861 473 R HN 0.660 nan 8.270 nan 0.000 0.440 474 W N 0.432 121.686 121.300 -0.076 0.000 2.335 474 W HA -0.143 4.525 4.660 0.013 0.000 0.311 474 W C 1.584 178.012 176.519 -0.152 0.000 1.213 474 W CA 1.926 59.215 57.345 -0.094 0.000 1.274 474 W CB -0.228 29.183 29.460 -0.083 0.000 1.148 474 W HN 0.080 nan 8.180 nan 0.000 0.498 475 I N 0.770 121.325 120.570 -0.024 0.000 2.202 475 I HA -0.329 3.848 4.170 0.012 0.000 0.242 475 I C 2.426 178.335 176.117 -0.346 0.000 1.091 475 I CA 1.270 62.406 61.300 -0.273 0.000 1.368 475 I CB -0.716 37.202 38.000 -0.137 0.000 1.058 475 I HN -0.133 nan 8.210 nan 0.000 0.410 476 K N 0.321 120.527 120.400 -0.322 0.000 2.152 476 K HA -0.163 4.164 4.320 0.012 0.000 0.206 476 K C 2.273 178.729 176.600 -0.240 0.000 1.048 476 K CA 1.454 57.571 56.287 -0.284 0.000 0.933 476 K CB -0.551 31.726 32.500 -0.372 0.000 0.721 476 K HN 0.241 nan 8.250 nan 0.000 0.447 477 S N 0.370 115.893 115.700 -0.295 0.000 2.377 477 S HA -0.045 4.433 4.470 0.012 0.000 0.223 477 S C 1.998 176.381 174.600 -0.360 0.000 1.030 477 S CA 0.677 58.710 58.200 -0.279 0.000 0.970 477 S CB 0.058 63.101 63.200 -0.263 0.000 0.830 477 S HN 0.029 nan 8.310 nan 0.000 0.473 478 V N 1.024 120.576 119.914 -0.602 0.000 2.591 478 V HA 0.097 4.225 4.120 0.012 0.000 0.249 478 V C 0.450 176.300 176.094 -0.407 0.000 1.053 478 V CA 1.421 63.338 62.300 -0.638 0.000 1.068 478 V CB -0.249 30.841 31.823 -1.222 0.000 0.689 478 V HN 0.530 nan 8.190 nan 0.000 0.462 479 D N -1.242 118.968 120.400 -0.316 0.000 2.364 479 D HA 0.275 4.923 4.640 0.012 0.000 0.251 479 D C -2.358 173.921 176.300 -0.034 0.000 1.282 479 D CA -1.559 52.367 54.000 -0.123 0.000 0.927 479 D CB 1.733 42.533 40.800 -0.000 0.000 1.267 479 D HN 0.067 nan 8.370 nan 0.000 0.531 480 P HA -0.004 nan 4.420 nan 0.000 0.242 480 P C 1.133 178.447 177.300 0.024 0.000 1.197 480 P CA 0.422 63.510 63.100 -0.019 0.000 0.765 480 P CB 0.270 31.951 31.700 -0.031 0.000 0.936 481 S N -1.284 114.440 115.700 0.040 0.000 2.522 481 S HA 0.060 4.537 4.470 0.012 0.000 0.227 481 S C 0.859 175.487 174.600 0.048 0.000 0.986 481 S CA 0.025 58.255 58.200 0.049 0.000 0.929 481 S CB -0.352 62.871 63.200 0.039 0.000 0.769 481 S HN 0.052 nan 8.310 nan 0.000 0.529 482 R N 1.097 121.641 120.500 0.072 0.000 2.628 482 R HA 0.561 4.909 4.340 0.012 0.000 0.288 482 R C -3.223 173.131 176.300 0.091 0.000 0.980 482 R CA -2.282 53.834 56.100 0.027 0.000 0.891 482 R CB 1.443 31.653 30.300 -0.150 0.000 1.188 482 R HN 0.147 nan 8.270 nan 0.000 0.450 483 P HA 0.115 nan 4.420 nan 0.000 0.272 483 P C -0.871 176.531 177.300 0.170 0.000 1.230 483 P CA -0.410 62.752 63.100 0.103 0.000 0.788 483 P CB 0.740 32.484 31.700 0.073 0.000 0.949 484 V N 2.463 122.510 119.914 0.222 0.000 2.495 484 V HA 0.420 4.547 4.120 0.012 0.000 0.298 484 V C 0.120 176.399 176.094 0.308 0.000 1.031 484 V CA -0.310 62.173 62.300 0.304 0.000 0.871 484 V CB 1.225 33.217 31.823 0.283 0.000 0.988 484 V HN 0.609 nan 8.190 nan 0.000 0.432 485 Q N 3.795 123.753 119.800 0.264 0.000 2.458 485 Q HA 0.825 5.172 4.340 0.012 0.000 0.282 485 Q C -1.831 174.321 176.000 0.254 0.000 1.106 485 Q CA -0.964 54.957 55.803 0.197 0.000 0.814 485 Q CB 3.036 31.835 28.738 0.101 0.000 1.425 485 Q HN 0.630 nan 8.270 nan 0.000 0.437 486 Y N 0.067 120.368 120.300 0.003 0.000 2.337 486 Y HA 0.127 4.684 4.550 0.011 0.000 0.318 486 Y C -0.608 175.226 175.900 -0.110 0.000 1.258 486 Y CA -0.719 57.351 58.100 -0.051 0.000 1.132 486 Y CB 1.883 40.298 38.460 -0.075 0.000 1.307 486 Y HN 0.950 nan 8.280 nan 0.000 0.428 487 E N 3.429 123.179 120.200 -0.750 0.000 2.318 487 E HA 0.127 4.484 4.350 0.012 0.000 0.193 487 E C 0.675 176.850 176.600 -0.709 0.000 0.998 487 E CA 0.775 56.822 56.400 -0.588 0.000 0.859 487 E CB 0.236 29.715 29.700 -0.369 0.000 0.812 487 E HN 0.882 nan 8.360 nan 0.000 0.492 488 G N -0.170 107.819 108.800 -1.352 0.000 2.484 488 G HA2 0.239 4.207 3.960 0.012 0.000 0.235 488 G HA3 0.239 4.207 3.960 0.012 0.000 0.235 488 G C 0.807 175.555 174.900 -0.253 0.000 1.282 488 G CA 0.287 44.969 45.100 -0.697 0.000 0.857 488 G HN 0.338 nan 8.290 nan 0.000 0.571 489 G N -0.302 108.456 108.800 -0.070 0.000 2.143 489 G HA2 0.231 4.198 3.960 0.012 0.000 0.248 489 G HA3 0.231 4.198 3.960 0.012 0.000 0.248 489 G C 1.227 176.138 174.900 0.019 0.000 0.991 489 G CA 0.967 46.091 45.100 0.040 0.000 0.689 489 G HN 2.609 nan 8.290 nan 0.000 0.522 490 G N -1.533 107.270 108.800 0.006 0.000 2.205 490 G HA2 0.448 4.415 3.960 0.012 0.000 0.180 490 G HA3 0.448 4.415 3.960 0.012 0.000 0.180 490 G C 1.071 176.099 174.900 0.213 0.000 1.004 490 G CA 1.296 46.467 45.100 0.118 0.000 0.670 490 G HN 2.317 nan 8.290 nan 0.000 0.496 491 A N -0.124 122.698 122.820 0.004 0.000 3.413 491 A HA -0.144 4.183 4.320 0.012 0.000 0.268 491 A C 1.115 178.627 177.584 -0.120 0.000 1.128 491 A CA 2.682 54.659 52.037 -0.100 0.000 1.062 491 A CB -1.756 17.172 19.000 -0.120 0.000 1.121 491 A HN 2.109 nan 8.150 nan 0.000 0.895 492 D N -0.900 119.515 120.400 0.025 0.000 2.760 492 D HA 0.312 4.959 4.640 0.012 0.000 0.314 492 D C 0.389 176.684 176.300 -0.007 0.000 1.464 492 D CA 0.828 54.842 54.000 0.024 0.000 0.797 492 D CB -1.132 39.810 40.800 0.236 0.000 1.149 492 D HN 0.800 nan 8.370 nan 0.000 0.455 493 T N -2.479 112.003 114.554 -0.119 0.000 2.689 493 T HA 0.213 4.570 4.350 0.012 0.000 0.308 493 T C 1.576 176.145 174.700 -0.217 0.000 1.021 493 T CA 0.465 62.429 62.100 -0.227 0.000 0.973 493 T CB 0.728 69.215 68.868 -0.634 0.000 1.113 493 T HN 0.079 nan 8.240 nan 0.000 0.522 494 T N -2.736 111.687 114.554 -0.218 0.000 3.160 494 T HA 0.269 4.627 4.350 0.012 0.000 0.257 494 T C 1.458 175.898 174.700 -0.434 0.000 1.147 494 T CA 0.190 62.173 62.100 -0.195 0.000 1.064 494 T CB -0.449 68.390 68.868 -0.048 0.000 0.949 494 T HN 0.820 nan 8.240 nan 0.000 0.526 495 A N 0.487 123.058 122.820 -0.415 0.000 2.460 495 A HA 0.531 4.858 4.320 0.012 0.000 0.258 495 A C 0.752 178.147 177.584 -0.316 0.000 1.300 495 A CA -0.342 51.406 52.037 -0.483 0.000 0.913 495 A CB 0.057 19.036 19.000 -0.034 0.000 1.031 495 A HN 0.419 nan 8.150 nan 0.000 0.512 496 T N -1.263 113.121 114.554 -0.283 0.000 3.032 496 T HA 0.341 4.698 4.350 0.012 0.000 0.312 496 T C -0.683 174.026 174.700 0.014 0.000 1.078 496 T CA -0.461 61.625 62.100 -0.024 0.000 1.028 496 T CB 1.162 70.011 68.868 -0.033 0.000 1.091 496 T HN 0.112 nan 8.240 nan 0.000 0.457 497 D N 3.051 123.537 120.400 0.144 0.000 2.348 497 D HA 0.243 4.891 4.640 0.012 0.000 0.211 497 D C 0.416 176.741 176.300 0.042 0.000 0.998 497 D CA 0.690 54.764 54.000 0.124 0.000 0.873 497 D CB 0.528 41.433 40.800 0.175 0.000 0.925 497 D HN 0.537 nan 8.370 nan 0.000 0.524 498 I N 0.945 121.521 120.570 0.010 0.000 2.582 498 I HA 0.250 4.428 4.170 0.012 0.000 0.292 498 I C -0.177 175.867 176.117 -0.120 0.000 1.066 498 I CA -0.895 60.377 61.300 -0.047 0.000 1.053 498 I CB 2.886 40.870 38.000 -0.027 0.000 1.241 498 I HN -0.358 nan 8.210 nan 0.000 0.421 499 I N 5.658 126.108 120.570 -0.199 0.000 2.421 499 I HA 0.047 4.224 4.170 0.012 0.000 0.291 499 I C 0.169 176.068 176.117 -0.363 0.000 1.089 499 I CA -0.019 61.059 61.300 -0.370 0.000 1.354 499 I CB 0.051 37.721 38.000 -0.549 0.000 1.413 499 I HN 0.664 nan 8.210 nan 0.000 0.513 500 C N 6.041 125.149 119.300 -0.319 0.000 3.075 500 C HA 0.476 4.943 4.460 0.012 0.000 0.262 500 C C -1.952 172.899 174.990 -0.232 0.000 1.371 500 C CA -2.367 56.514 59.018 -0.228 0.000 1.594 500 C CB -0.897 26.765 27.740 -0.130 0.000 1.849 500 C HN 0.439 nan 8.230 nan 0.000 0.475 501 P HA 0.246 nan 4.420 nan 0.000 0.272 501 P C -0.608 176.657 177.300 -0.059 0.000 1.240 501 P CA 0.385 63.403 63.100 -0.137 0.000 0.791 501 P CB 0.866 32.507 31.700 -0.098 0.000 0.978 502 M N 1.552 121.152 119.600 0.001 0.000 2.125 502 M HA 0.244 4.732 4.480 0.012 0.000 0.321 502 M C -0.528 175.796 176.300 0.039 0.000 0.983 502 M CA -0.462 54.749 55.300 -0.148 0.000 0.934 502 M CB 0.829 33.378 32.600 -0.084 0.000 1.542 502 M HN 0.335 nan 8.290 nan 0.000 0.424 503 Y N -0.494 119.982 120.300 0.294 0.000 4.177 503 Y HA -0.228 4.330 4.550 0.013 0.000 0.227 503 Y C 0.597 176.682 175.900 0.309 0.000 1.154 503 Y CA 0.370 58.651 58.100 0.301 0.000 1.887 503 Y CB -2.475 36.139 38.460 0.258 0.000 1.594 503 Y HN 0.799 nan 8.280 nan 0.000 0.668 504 A N 0.934 123.983 122.820 0.382 0.000 2.425 504 A HA 0.596 4.923 4.320 0.012 0.000 0.249 504 A C 0.790 178.607 177.584 0.389 0.000 1.084 504 A CA -0.496 51.770 52.037 0.382 0.000 0.781 504 A CB 0.433 19.709 19.000 0.460 0.000 1.019 504 A HN 0.397 nan 8.150 nan 0.000 0.490 505 R N 1.419 122.075 120.500 0.260 0.000 2.546 505 R HA 0.341 4.688 4.340 0.012 0.000 0.266 505 R C 0.999 177.285 176.300 -0.024 0.000 1.086 505 R CA -0.744 55.438 56.100 0.136 0.000 1.160 505 R CB 0.620 30.961 30.300 0.068 0.000 1.138 505 R HN 0.483 nan 8.270 nan 0.000 0.567 506 V N 0.734 120.465 119.914 -0.306 0.000 2.270 506 V HA -0.216 3.911 4.120 0.012 0.000 0.245 506 V C 1.031 177.015 176.094 -0.184 0.000 1.043 506 V CA 1.901 63.990 62.300 -0.352 0.000 1.014 506 V CB -0.274 31.214 31.823 -0.558 0.000 0.645 506 V HN 0.764 nan 8.190 nan 0.000 0.447 507 D N -1.318 119.002 120.400 -0.135 0.000 2.454 507 D HA 0.088 4.735 4.640 0.012 0.000 0.219 507 D C 0.925 177.208 176.300 -0.029 0.000 1.081 507 D CA 0.043 53.999 54.000 -0.073 0.000 0.867 507 D CB 0.667 41.428 40.800 -0.066 0.000 1.054 507 D HN 0.522 nan 8.370 nan 0.000 0.500 508 E N 2.122 122.307 120.200 -0.024 0.000 2.167 508 E HA 0.101 4.459 4.350 0.012 0.000 0.284 508 E C -0.777 175.819 176.600 -0.007 0.000 1.016 508 E CA -0.593 55.800 56.400 -0.011 0.000 0.817 508 E CB 0.905 30.598 29.700 -0.011 0.000 1.080 508 E HN -0.187 nan 8.360 nan 0.000 0.397 509 D N 3.927 124.323 120.400 -0.007 0.000 2.313 509 D HA 0.106 4.754 4.640 0.012 0.000 0.247 509 D C -0.480 175.702 176.300 -0.196 0.000 1.094 509 D CA 0.176 54.157 54.000 -0.033 0.000 0.925 509 D CB 1.225 42.078 40.800 0.089 0.000 1.188 509 D HN 0.473 nan 8.370 nan 0.000 0.430 510 Q N 1.293 120.856 119.800 -0.396 0.000 2.932 510 Q HA 0.216 4.563 4.340 0.012 0.000 0.248 510 Q C -2.182 173.206 176.000 -1.020 0.000 0.982 510 Q CA -1.469 53.902 55.803 -0.719 0.000 0.730 510 Q CB 2.154 30.454 28.738 -0.730 0.000 1.249 510 Q HN 0.193 nan 8.270 nan 0.000 0.476 511 P HA -0.072 nan 4.420 nan 0.000 0.246 511 P C -0.652 176.340 177.300 -0.512 0.000 1.675 511 P CA 0.078 62.758 63.100 -0.701 0.000 0.908 511 P CB -0.531 30.954 31.700 -0.359 0.000 1.890 512 F N 2.884 122.651 119.950 -0.306 0.000 2.553 512 F HA 0.136 4.670 4.527 0.012 0.000 0.356 512 F C -0.964 174.726 175.800 -0.184 0.000 1.142 512 F CA -2.251 55.634 58.000 -0.193 0.000 1.322 512 F CB -0.933 37.974 39.000 -0.155 0.000 1.126 512 F HN 0.135 nan 8.300 nan 0.000 0.599 513 P HA 0.203 nan 4.420 nan 0.000 0.275 513 P C 0.197 177.511 177.300 0.023 0.000 1.228 513 P CA 0.858 63.972 63.100 0.024 0.000 0.786 513 P CB 1.448 33.163 31.700 0.025 0.000 0.927 514 A N 2.771 125.599 122.820 0.013 0.000 2.617 514 A HA -0.256 4.071 4.320 0.012 0.000 0.236 514 A C 0.805 178.400 177.584 0.019 0.000 0.514 514 A CA 2.126 54.178 52.037 0.024 0.000 1.126 514 A CB -2.793 16.222 19.000 0.025 0.000 1.393 514 A HN 0.707 nan 8.150 nan 0.000 0.693 515 V N -2.744 117.174 119.914 0.007 0.000 2.454 515 V HA 0.574 4.702 4.120 0.012 0.000 0.255 515 V C -2.224 173.855 176.094 -0.024 0.000 1.009 515 V CA -1.238 61.066 62.300 0.006 0.000 1.149 515 V CB 0.633 32.464 31.823 0.014 0.000 1.418 515 V HN 0.554 nan 8.190 nan 0.000 0.567 516 P HA 0.285 nan 4.420 nan 0.000 0.272 516 P C -0.681 176.175 177.300 -0.740 0.000 1.223 516 P CA 0.003 62.724 63.100 -0.632 0.000 0.784 516 P CB 1.180 32.093 31.700 -1.311 0.000 0.923 517 K N 2.588 122.638 120.400 -0.584 0.000 2.419 517 K HA 0.212 4.539 4.320 0.012 0.000 0.244 517 K C -0.421 175.897 176.600 -0.470 0.000 1.045 517 K CA -0.291 55.816 56.287 -0.301 0.000 1.004 517 K CB 0.407 32.996 32.500 0.149 0.000 1.376 517 K HN 0.469 nan 8.250 nan 0.000 0.460 518 W N 1.454 122.407 121.300 -0.578 0.000 2.126 518 W HA 0.043 4.711 4.660 0.014 0.000 0.346 518 W C 1.300 177.804 176.519 -0.026 0.000 1.279 518 W CA -0.509 56.602 57.345 -0.390 0.000 1.259 518 W CB 0.492 29.548 29.460 -0.674 0.000 1.133 518 W HN 0.388 nan 8.180 nan 0.000 0.592 519 S N 3.381 119.228 115.700 0.245 0.000 2.552 519 S HA -0.061 4.417 4.470 0.012 0.000 0.289 519 S C 1.151 175.895 174.600 0.239 0.000 1.304 519 S CA -0.231 58.065 58.200 0.159 0.000 1.063 519 S CB 0.183 63.424 63.200 0.068 0.000 0.848 519 S HN 0.531 nan 8.310 nan 0.000 0.499 520 I N 1.611 122.298 120.570 0.197 0.000 2.335 520 I HA -0.151 4.026 4.170 0.012 0.000 0.251 520 I C 1.990 178.147 176.117 0.067 0.000 1.129 520 I CA 1.300 62.722 61.300 0.203 0.000 1.402 520 I CB -0.410 37.655 38.000 0.109 0.000 1.069 520 I HN 0.585 nan 8.210 nan 0.000 0.424 521 K N 1.479 121.820 120.400 -0.097 0.000 2.103 521 K HA -0.121 4.206 4.320 0.012 0.000 0.204 521 K C 2.279 178.884 176.600 0.009 0.000 1.052 521 K CA 1.417 57.567 56.287 -0.229 0.000 0.945 521 K CB -0.152 32.099 32.500 -0.416 0.000 0.722 521 K HN 0.370 nan 8.250 nan 0.000 0.443 522 K N 0.010 120.437 120.400 0.045 0.000 2.103 522 K HA -0.160 4.168 4.320 0.012 0.000 0.204 522 K C 1.828 178.459 176.600 0.052 0.000 1.052 522 K CA 0.849 57.149 56.287 0.021 0.000 0.945 522 K CB -0.070 32.415 32.500 -0.025 0.000 0.722 522 K HN 0.196 nan 8.250 nan 0.000 0.443 523 W N 2.136 123.428 121.300 -0.014 0.000 2.321 523 W HA -0.194 4.471 4.660 0.009 0.000 0.306 523 W C 1.626 178.131 176.519 -0.023 0.000 1.217 523 W CA 1.160 58.507 57.345 0.004 0.000 1.257 523 W CB -0.600 28.935 29.460 0.125 0.000 1.145 523 W HN 0.102 nan 8.180 nan 0.000 0.509 524 L N 0.646 122.020 121.223 0.252 0.000 2.079 524 L HA -0.239 4.108 4.340 0.012 0.000 0.210 524 L C 2.195 179.127 176.870 0.105 0.000 1.081 524 L CA 1.995 56.919 54.840 0.140 0.000 0.752 524 L CB -1.023 41.109 42.059 0.121 0.000 0.896 524 L HN -0.037 nan 8.230 nan 0.000 0.433 525 S N -1.265 114.483 115.700 0.081 0.000 2.582 525 S HA 0.262 4.740 4.470 0.012 0.000 0.234 525 S C 0.519 175.110 174.600 -0.014 0.000 0.961 525 S CA -0.515 57.705 58.200 0.034 0.000 0.953 525 S CB -0.469 62.750 63.200 0.032 0.000 0.800 525 S HN 0.145 nan 8.310 nan 0.000 0.471 526 L N 3.091 124.299 121.223 -0.025 0.000 2.514 526 L HA 0.211 4.558 4.340 0.012 0.000 0.280 526 L C -1.918 174.922 176.870 -0.050 0.000 1.223 526 L CA -1.631 53.146 54.840 -0.105 0.000 0.864 526 L CB -0.110 41.864 42.059 -0.143 0.000 1.118 526 L HN 0.090 nan 8.230 nan 0.000 0.494 527 P HA -0.071 nan 4.420 nan 0.000 0.260 527 P C 0.780 178.073 177.300 -0.011 0.000 1.172 527 P CA 1.018 64.096 63.100 -0.036 0.000 0.760 527 P CB 0.614 32.287 31.700 -0.046 0.000 0.773 528 G N 1.966 110.767 108.800 0.001 0.000 2.253 528 G HA2 -0.258 3.710 3.960 0.012 0.000 0.251 528 G HA3 -0.258 3.710 3.960 0.012 0.000 0.251 528 G C 0.189 175.105 174.900 0.026 0.000 0.998 528 G CA 0.263 45.371 45.100 0.014 0.000 0.621 528 G HN 0.667 nan 8.290 nan 0.000 0.524 529 E N 1.075 121.296 120.200 0.034 0.000 2.313 529 E HA 0.612 4.970 4.350 0.012 0.000 0.276 529 E C 1.326 177.948 176.600 0.037 0.000 1.031 529 E CA 0.710 57.141 56.400 0.051 0.000 0.857 529 E CB 0.879 30.634 29.700 0.091 0.000 1.040 529 E HN 0.563 nan 8.360 nan 0.000 0.408 530 T N 0.422 114.993 114.554 0.029 0.000 3.080 530 T HA 0.310 4.667 4.350 0.012 0.000 0.280 530 T C 0.526 175.232 174.700 0.011 0.000 0.926 530 T CA -0.470 61.643 62.100 0.021 0.000 0.883 530 T CB 0.048 68.927 68.868 0.020 0.000 1.194 530 T HN 0.264 nan 8.240 nan 0.000 0.541 531 R N 2.650 123.152 120.500 0.004 0.000 2.679 531 R HA 0.409 4.757 4.340 0.012 0.000 0.269 531 R C -2.433 173.844 176.300 -0.038 0.000 1.076 531 R CA -1.612 54.479 56.100 -0.015 0.000 1.160 531 R CB 0.069 30.353 30.300 -0.028 0.000 1.054 531 R HN 0.280 nan 8.270 nan 0.000 0.507 532 P HA 0.088 nan 4.420 nan 0.000 0.276 532 P C -1.091 176.138 177.300 -0.117 0.000 1.244 532 P CA -0.176 62.883 63.100 -0.069 0.000 0.801 532 P CB 0.835 32.497 31.700 -0.063 0.000 1.006 533 L N 2.861 123.997 121.223 -0.144 0.000 2.349 533 L HA 0.574 4.922 4.340 0.012 0.000 0.278 533 L C -0.900 175.834 176.870 -0.227 0.000 0.996 533 L CA -0.704 54.012 54.840 -0.206 0.000 0.825 533 L CB 0.600 42.534 42.059 -0.209 0.000 1.243 533 L HN 0.247 nan 8.230 nan 0.000 0.412 534 I N 5.898 126.338 120.570 -0.218 0.000 2.497 534 I HA 0.242 4.419 4.170 0.012 0.000 0.284 534 I C -0.803 175.226 176.117 -0.147 0.000 1.060 534 I CA -0.581 60.583 61.300 -0.226 0.000 1.071 534 I CB 1.952 39.877 38.000 -0.124 0.000 1.216 534 I HN 0.480 nan 8.210 nan 0.000 0.442 535 L N 5.561 126.666 121.223 -0.196 0.000 2.462 535 L HA 0.024 4.372 4.340 0.012 0.000 0.272 535 L C 1.466 178.407 176.870 0.119 0.000 1.166 535 L CA -0.131 54.654 54.840 -0.091 0.000 0.880 535 L CB 0.549 42.516 42.059 -0.153 0.000 1.142 535 L HN 0.847 nan 8.230 nan 0.000 0.473 536 C N 0.147 119.500 119.300 0.088 0.000 2.500 536 C HA 0.204 4.671 4.460 0.012 0.000 0.273 536 C C 0.601 175.721 174.990 0.217 0.000 1.428 536 C CA -0.323 58.783 59.018 0.147 0.000 1.766 536 C CB -1.160 26.573 27.740 -0.012 0.000 1.817 536 C HN 0.828 nan 8.230 nan 0.000 0.543 537 E N -0.609 119.660 120.200 0.114 0.000 2.347 537 E HA 0.567 4.924 4.350 0.012 0.000 0.285 537 E C -1.463 175.043 176.600 -0.157 0.000 0.925 537 E CA -0.355 56.070 56.400 0.041 0.000 0.779 537 E CB 2.106 31.686 29.700 -0.201 0.000 1.233 537 E HN 0.554 nan 8.360 nan 0.000 0.414 538 Y N -0.690 119.544 120.300 -0.109 0.000 2.713 538 Y HA 0.594 5.152 4.550 0.013 0.000 0.335 538 Y C -0.842 175.220 175.900 0.271 0.000 1.222 538 Y CA -0.798 57.279 58.100 -0.038 0.000 1.061 538 Y CB 0.485 38.783 38.460 -0.271 0.000 1.314 538 Y HN 0.670 nan 8.280 nan 0.000 0.453 539 A N 1.985 124.868 122.820 0.106 0.000 2.303 539 A HA -0.251 4.077 4.320 0.012 0.000 0.286 539 A C -0.198 177.516 177.584 0.217 0.000 1.429 539 A CA 1.052 53.151 52.037 0.104 0.000 0.738 539 A CB -2.546 16.408 19.000 -0.077 0.000 1.149 539 A HN 1.254 nan 8.150 nan 0.000 0.364 540 H N 0.668 119.897 119.070 0.265 0.000 3.226 540 H HA 0.245 4.808 4.556 0.012 0.000 0.260 540 H C 1.114 176.497 175.328 0.092 0.000 0.967 540 H CA 0.835 57.032 56.048 0.247 0.000 1.435 540 H CB 0.365 30.138 29.762 0.019 0.000 1.533 540 H HN 0.809 nan 8.280 nan 0.000 0.525 541 A N 6.728 129.473 122.820 -0.126 0.000 2.840 541 A HA 0.060 4.387 4.320 0.012 0.000 0.269 541 A C 0.903 178.350 177.584 -0.228 0.000 1.439 541 A CA -0.414 51.520 52.037 -0.171 0.000 1.083 541 A CB -0.659 18.224 19.000 -0.194 0.000 1.019 541 A HN 0.809 nan 8.150 nan 0.000 0.607 542 M N 1.477 120.931 119.600 -0.244 0.000 2.156 542 M HA 0.445 4.933 4.480 0.012 0.000 0.345 542 M C 0.945 177.139 176.300 -0.177 0.000 1.398 542 M CA 1.259 56.444 55.300 -0.192 0.000 1.148 542 M CB -0.272 32.292 32.600 -0.060 0.000 1.663 542 M HN 0.839 nan 8.290 nan 0.000 0.464 543 G N 4.420 113.086 108.800 -0.224 0.000 2.550 543 G HA2 -0.347 3.620 3.960 0.012 0.000 0.277 543 G HA3 -0.347 3.620 3.960 0.012 0.000 0.277 543 G C -0.213 174.179 174.900 -0.847 0.000 1.190 543 G CA 0.122 44.905 45.100 -0.529 0.000 0.971 543 G HN 0.867 nan 8.290 nan 0.000 0.559 544 N N 1.332 119.369 118.700 -1.105 0.000 2.434 544 N HA 0.475 5.222 4.740 0.012 0.000 0.273 544 N C 0.061 175.323 175.510 -0.413 0.000 1.210 544 N CA 1.152 53.726 53.050 -0.794 0.000 0.992 544 N CB 0.341 38.425 38.487 -0.672 0.000 1.355 544 N HN 0.814 nan 8.380 nan 0.000 0.495 545 S N 2.037 117.577 115.700 -0.266 0.000 2.998 545 S HA 0.611 5.088 4.470 0.012 0.000 0.321 545 S C -0.152 174.387 174.600 -0.102 0.000 1.171 545 S CA -0.382 57.721 58.200 -0.163 0.000 0.882 545 S CB 0.158 63.288 63.200 -0.117 0.000 1.301 545 S HN 0.371 nan 8.310 nan 0.000 0.629 546 L N 0.155 121.352 121.223 -0.043 0.000 4.447 546 L HA -0.047 4.300 4.340 0.012 0.000 0.400 546 L C 0.427 177.343 176.870 0.077 0.000 1.110 546 L CA 0.920 55.763 54.840 0.006 0.000 1.010 546 L CB -1.727 40.249 42.059 -0.138 0.000 2.154 546 L HN 0.722 nan 8.230 nan 0.000 0.685 547 G N -0.893 107.921 108.800 0.023 0.000 2.406 547 G HA2 0.494 4.461 3.960 0.012 0.000 0.251 547 G HA3 0.494 4.461 3.960 0.012 0.000 0.251 547 G C 1.216 176.160 174.900 0.073 0.000 1.271 547 G CA 0.121 45.210 45.100 -0.018 0.000 0.859 547 G HN 1.419 nan 8.290 nan 0.000 0.540 548 G N 1.400 110.236 108.800 0.060 0.000 2.176 548 G HA2 -0.319 3.648 3.960 0.012 0.000 0.253 548 G HA3 -0.319 3.648 3.960 0.012 0.000 0.253 548 G C 1.014 176.094 174.900 0.300 0.000 0.979 548 G CA 0.766 45.956 45.100 0.149 0.000 0.641 548 G HN 0.781 nan 8.290 nan 0.000 0.530 549 F N 1.815 121.887 119.950 0.204 0.000 2.161 549 F HA 0.144 4.679 4.527 0.013 0.000 0.300 549 F C 2.650 178.663 175.800 0.355 0.000 1.089 549 F CA 2.438 60.634 58.000 0.326 0.000 1.282 549 F CB -0.369 38.762 39.000 0.219 0.000 1.010 549 F HN 0.342 nan 8.300 nan 0.000 0.485 550 A N -0.408 122.590 122.820 0.297 0.000 2.019 550 A HA -0.220 4.107 4.320 0.012 0.000 0.219 550 A C 2.273 179.888 177.584 0.052 0.000 1.164 550 A CA 1.672 53.816 52.037 0.177 0.000 0.644 550 A CB -0.761 18.345 19.000 0.176 0.000 0.805 550 A HN 0.450 nan 8.150 nan 0.000 0.449 551 K N -1.675 118.731 120.400 0.010 0.000 2.097 551 K HA -0.163 4.165 4.320 0.012 0.000 0.205 551 K C 1.690 178.073 176.600 -0.362 0.000 1.050 551 K CA 1.480 57.685 56.287 -0.137 0.000 0.938 551 K CB -0.307 32.104 32.500 -0.147 0.000 0.718 551 K HN 0.510 nan 8.250 nan 0.000 0.442 552 Y N -0.685 119.356 120.300 -0.431 0.000 2.145 552 Y HA -0.224 4.332 4.550 0.011 0.000 0.286 552 Y C 1.908 176.853 175.900 -1.592 0.000 1.145 552 Y CA 1.666 59.161 58.100 -1.008 0.000 1.148 552 Y CB -0.432 37.471 38.460 -0.927 0.000 0.981 552 Y HN 0.177 nan 8.280 nan 0.000 0.507 553 W N -0.130 120.755 121.300 -0.693 0.000 2.425 553 W HA -0.153 4.515 4.660 0.014 0.000 0.277 553 W C 2.563 178.920 176.519 -0.270 0.000 1.231 553 W CA 1.304 58.373 57.345 -0.460 0.000 1.248 553 W CB -0.467 28.823 29.460 -0.283 0.000 1.117 553 W HN 0.046 nan 8.180 nan 0.000 0.568 554 Q N 0.783 120.505 119.800 -0.130 0.000 2.119 554 Q HA -0.142 4.206 4.340 0.012 0.000 0.201 554 Q C 2.167 178.111 176.000 -0.093 0.000 0.972 554 Q CA 1.955 57.721 55.803 -0.061 0.000 0.847 554 Q CB -0.501 28.212 28.738 -0.042 0.000 0.903 554 Q HN 0.269 nan 8.270 nan 0.000 0.433 555 A N 0.139 122.807 122.820 -0.252 0.000 1.897 555 A HA -0.118 4.210 4.320 0.012 0.000 0.215 555 A C 1.827 179.370 177.584 -0.069 0.000 1.181 555 A CA 1.091 52.999 52.037 -0.215 0.000 0.620 555 A CB -0.788 17.956 19.000 -0.426 0.000 0.821 555 A HN 0.353 nan 8.150 nan 0.000 0.443 556 F N 0.313 120.092 119.950 -0.286 0.000 2.126 556 F HA -0.144 4.390 4.527 0.012 0.000 0.299 556 F C 2.524 178.226 175.800 -0.162 0.000 1.096 556 F CA 1.340 59.135 58.000 -0.341 0.000 1.255 556 F CB -0.860 37.714 39.000 -0.710 0.000 0.997 556 F HN 0.183 nan 8.300 nan 0.000 0.479 557 R N -0.289 120.269 120.500 0.096 0.000 2.115 557 R HA -0.139 4.208 4.340 0.012 0.000 0.226 557 R C 2.154 178.492 176.300 0.064 0.000 1.100 557 R CA 1.127 57.268 56.100 0.068 0.000 0.980 557 R CB -0.434 29.902 30.300 0.060 0.000 0.875 557 R HN 0.394 nan 8.270 nan 0.000 0.445 558 Q N -0.189 119.679 119.800 0.113 0.000 2.137 558 Q HA -0.063 4.284 4.340 0.012 0.000 0.198 558 Q C -0.425 175.626 176.000 0.085 0.000 0.960 558 Q CA 0.942 56.810 55.803 0.108 0.000 0.847 558 Q CB 0.329 29.167 28.738 0.167 0.000 0.915 558 Q HN 0.171 nan 8.270 nan 0.000 0.448 559 Y N 0.362 120.646 120.300 -0.026 0.000 2.367 559 Y HA 0.263 4.820 4.550 0.011 0.000 0.342 559 Y C -1.782 174.095 175.900 -0.038 0.000 0.979 559 Y CA -2.884 55.201 58.100 -0.026 0.000 1.161 559 Y CB 1.257 39.707 38.460 -0.017 0.000 1.155 559 Y HN 0.139 nan 8.280 nan 0.000 0.503 560 P HA -0.180 nan 4.420 nan 0.000 0.214 560 P C 1.168 178.469 177.300 0.003 0.000 1.163 560 P CA 1.957 65.060 63.100 0.005 0.000 0.889 560 P CB 0.297 31.985 31.700 -0.020 0.000 0.790 561 R N -1.110 119.409 120.500 0.031 0.000 2.316 561 R HA 0.062 4.409 4.340 0.012 0.000 0.202 561 R C 0.432 176.714 176.300 -0.030 0.000 1.029 561 R CA 0.217 56.318 56.100 0.002 0.000 1.018 561 R CB -0.560 29.753 30.300 0.020 0.000 0.888 561 R HN 0.250 nan 8.270 nan 0.000 0.471 562 L N 1.930 123.153 121.223 0.000 0.000 2.302 562 L HA 0.134 4.481 4.340 0.012 0.000 0.285 562 L C 0.408 177.146 176.870 -0.220 0.000 1.090 562 L CA 0.141 54.939 54.840 -0.071 0.000 0.866 562 L CB 1.116 43.202 42.059 0.045 0.000 1.244 562 L HN 0.072 nan 8.230 nan 0.000 0.435 563 Q N 2.896 122.488 119.800 -0.346 0.000 2.237 563 Q HA 0.330 4.678 4.340 0.012 0.000 0.252 563 Q C 0.795 176.364 176.000 -0.718 0.000 0.877 563 Q CA 0.014 55.562 55.803 -0.425 0.000 1.011 563 Q CB 1.012 29.594 28.738 -0.261 0.000 1.118 563 Q HN 0.937 nan 8.270 nan 0.000 0.458 564 G N -0.418 107.539 108.800 -1.406 0.000 2.451 564 G HA2 0.102 4.069 3.960 0.012 0.000 0.208 564 G HA3 0.102 4.069 3.960 0.012 0.000 0.208 564 G C -0.273 173.790 174.900 -1.394 0.000 1.248 564 G CA -0.747 43.203 45.100 -1.916 0.000 0.989 564 G HN 0.617 nan 8.290 nan 0.000 0.559 565 G N -2.322 105.929 108.800 -0.915 0.000 2.349 565 G HA2 0.642 4.609 3.960 0.012 0.000 0.294 565 G HA3 0.642 4.609 3.960 0.012 0.000 0.294 565 G C -1.794 173.007 174.900 -0.165 0.000 1.380 565 G CA -0.235 44.564 45.100 -0.501 0.000 0.811 565 G HN 1.194 nan 8.290 nan 0.000 0.519 566 F N 0.588 120.741 119.950 0.338 0.000 2.427 566 F HA 0.541 5.075 4.527 0.011 0.000 0.348 566 F C 0.758 176.851 175.800 0.489 0.000 1.125 566 F CA -0.822 57.428 58.000 0.416 0.000 0.989 566 F CB 2.008 41.151 39.000 0.237 0.000 1.165 566 F HN 0.256 nan 8.300 nan 0.000 0.442 567 V N 3.318 123.546 119.914 0.524 0.000 2.872 567 V HA -0.119 4.009 4.120 0.012 0.000 0.307 567 V C -0.326 175.916 176.094 0.247 0.000 1.072 567 V CA -0.219 62.190 62.300 0.183 0.000 1.148 567 V CB 0.779 32.712 31.823 0.183 0.000 0.954 567 V HN 0.774 nan 8.190 nan 0.000 0.490 568 W N 6.513 127.882 121.300 0.115 0.000 2.336 568 W HA 0.466 5.133 4.660 0.012 0.000 0.315 568 W C -0.912 175.586 176.519 -0.035 0.000 1.016 568 W CA -0.704 56.724 57.345 0.138 0.000 1.318 568 W CB 1.369 31.053 29.460 0.373 0.000 1.247 568 W HN 0.920 nan 8.180 nan 0.000 0.414 569 D N 2.524 122.612 120.400 -0.520 0.000 3.009 569 D HA 0.102 4.749 4.640 0.012 0.000 0.318 569 D C 0.707 176.766 176.300 -0.400 0.000 1.273 569 D CA -0.502 53.075 54.000 -0.706 0.000 1.001 569 D CB 0.218 40.010 40.800 -1.680 0.000 1.411 569 D HN 0.383 nan 8.370 nan 0.000 0.577 570 W N 0.335 121.305 121.300 -0.549 0.000 2.413 570 W HA 0.159 4.826 4.660 0.012 0.000 0.315 570 W C -0.029 176.249 176.519 -0.403 0.000 1.186 570 W CA 1.180 58.259 57.345 -0.444 0.000 1.326 570 W CB 0.354 29.580 29.460 -0.390 0.000 1.153 570 W HN 0.142 nan 8.180 nan 0.000 0.489 571 V N 2.592 122.225 119.914 -0.468 0.000 2.656 571 V HA 0.249 4.376 4.120 0.012 0.000 0.307 571 V C -0.844 175.034 176.094 -0.360 0.000 1.051 571 V CA -0.820 61.172 62.300 -0.512 0.000 0.893 571 V CB 1.534 33.168 31.823 -0.314 0.000 0.999 571 V HN -0.096 nan 8.190 nan 0.000 0.426 572 D N 4.091 124.285 120.400 -0.343 0.000 2.488 572 D HA 0.096 4.743 4.640 0.012 0.000 0.238 572 D C 0.308 176.467 176.300 -0.234 0.000 1.138 572 D CA 0.630 54.496 54.000 -0.224 0.000 0.873 572 D CB 0.943 41.707 40.800 -0.061 0.000 1.183 572 D HN 0.620 nan 8.370 nan 0.000 0.458 573 Q N 0.999 120.586 119.800 -0.354 0.000 2.894 573 Q HA 0.110 4.457 4.340 0.012 0.000 0.358 573 Q C -0.032 175.922 176.000 -0.076 0.000 1.155 573 Q CA -0.314 55.060 55.803 -0.714 0.000 0.960 573 Q CB 0.094 28.485 28.738 -0.578 0.000 1.428 573 Q HN 0.367 nan 8.270 nan 0.000 0.437 574 S N -0.306 115.473 115.700 0.132 0.000 2.616 574 S HA 0.628 5.105 4.470 0.012 0.000 0.277 574 S C -0.130 174.646 174.600 0.293 0.000 1.234 574 S CA -0.733 57.648 58.200 0.301 0.000 1.028 574 S CB 1.344 64.699 63.200 0.258 0.000 0.988 574 S HN 0.301 nan 8.310 nan 0.000 0.522 575 L N 1.440 122.761 121.223 0.165 0.000 2.354 575 L HA 0.547 4.894 4.340 0.012 0.000 0.269 575 L C -0.930 175.857 176.870 -0.138 0.000 1.005 575 L CA -1.170 53.656 54.840 -0.023 0.000 0.819 575 L CB 1.574 43.517 42.059 -0.195 0.000 1.311 575 L HN 0.552 nan 8.230 nan 0.000 0.423 576 I N 2.559 122.994 120.570 -0.225 0.000 2.416 576 I HA 0.221 4.399 4.170 0.012 0.000 0.288 576 I C 0.100 175.839 176.117 -0.629 0.000 1.051 576 I CA 0.340 61.367 61.300 -0.455 0.000 1.375 576 I CB 0.595 38.343 38.000 -0.419 0.000 1.407 576 I HN 0.437 nan 8.210 nan 0.000 0.516 577 K N 5.240 124.979 120.400 -1.103 0.000 2.395 577 K HA 0.601 4.928 4.320 0.012 0.000 0.247 577 K C -1.583 174.306 176.600 -1.185 0.000 0.973 577 K CA -0.814 54.807 56.287 -1.110 0.000 0.828 577 K CB 2.144 33.689 32.500 -1.591 0.000 1.272 577 K HN 0.244 nan 8.250 nan 0.000 0.439 578 Y N 0.697 120.812 120.300 -0.308 0.000 2.429 578 Y HA 0.150 4.707 4.550 0.012 0.000 0.342 578 Y C 0.150 176.196 175.900 0.244 0.000 1.004 578 Y CA -1.139 56.961 58.100 0.000 0.000 1.075 578 Y CB 1.192 39.645 38.460 -0.013 0.000 1.214 578 Y HN 0.678 nan 8.280 nan 0.000 0.455 579 D N -0.417 120.263 120.400 0.467 0.000 2.414 579 D HA 0.036 4.684 4.640 0.012 0.000 0.259 579 D C 0.898 177.306 176.300 0.181 0.000 1.269 579 D CA -0.420 53.758 54.000 0.297 0.000 1.028 579 D CB 0.446 41.340 40.800 0.156 0.000 1.093 579 D HN 0.742 nan 8.370 nan 0.000 0.545 580 E N -0.790 119.472 120.200 0.104 0.000 2.267 580 E HA -0.248 4.110 4.350 0.012 0.000 0.197 580 E C 0.567 177.203 176.600 0.059 0.000 0.998 580 E CA 0.884 57.322 56.400 0.065 0.000 0.830 580 E CB -0.471 29.249 29.700 0.033 0.000 0.751 580 E HN 0.315 nan 8.360 nan 0.000 0.491 581 N N 0.324 119.069 118.700 0.075 0.000 2.280 581 N HA 0.063 4.810 4.740 0.012 0.000 0.192 581 N C 0.890 176.450 175.510 0.083 0.000 1.109 581 N CA 0.794 53.883 53.050 0.064 0.000 0.855 581 N CB 1.251 39.773 38.487 0.058 0.000 0.974 581 N HN 0.436 nan 8.380 nan 0.000 0.482 582 G N 1.076 109.947 108.800 0.120 0.000 2.148 582 G HA2 -0.245 3.723 3.960 0.012 0.000 0.254 582 G HA3 -0.245 3.723 3.960 0.012 0.000 0.254 582 G C -0.165 174.888 174.900 0.256 0.000 0.981 582 G CA -0.293 44.887 45.100 0.133 0.000 0.670 582 G HN 0.279 nan 8.290 nan 0.000 0.528 583 N N 1.824 120.677 118.700 0.255 0.000 2.455 583 N HA 0.430 5.177 4.740 0.012 0.000 0.280 583 N C -2.430 173.239 175.510 0.265 0.000 1.055 583 N CA -1.129 52.070 53.050 0.248 0.000 0.961 583 N CB 1.957 40.542 38.487 0.162 0.000 1.121 583 N HN 0.209 nan 8.380 nan 0.000 0.476 584 P HA 0.229 nan 4.420 nan 0.000 0.275 584 P C -0.572 176.681 177.300 -0.078 0.000 1.227 584 P CA -0.253 62.662 63.100 -0.309 0.000 0.781 584 P CB 0.704 32.172 31.700 -0.385 0.000 0.906 585 W N -0.168 120.894 121.300 -0.397 0.000 3.083 585 W HA 0.437 5.104 4.660 0.012 0.000 0.333 585 W C -1.435 174.910 176.519 -0.290 0.000 1.217 585 W CA -1.124 56.007 57.345 -0.356 0.000 1.170 585 W CB 0.378 29.420 29.460 -0.696 0.000 1.437 585 W HN 0.126 nan 8.180 nan 0.000 0.557 586 S N 1.463 117.212 115.700 0.081 0.000 2.489 586 S HA 0.611 5.088 4.470 0.012 0.000 0.277 586 S C 0.135 174.856 174.600 0.202 0.000 1.230 586 S CA -0.278 57.959 58.200 0.063 0.000 1.053 586 S CB 0.953 64.255 63.200 0.170 0.000 0.955 586 S HN 0.614 nan 8.310 nan 0.000 0.488 587 A N 2.867 125.679 122.820 -0.012 0.000 2.330 587 A HA 0.912 5.239 4.320 0.012 0.000 0.329 587 A C -0.765 177.059 177.584 0.400 0.000 1.135 587 A CA -0.734 51.349 52.037 0.076 0.000 0.817 587 A CB 0.727 19.460 19.000 -0.444 0.000 1.269 587 A HN 0.853 nan 8.150 nan 0.000 0.469 588 Y N -1.059 119.552 120.300 0.517 0.000 3.068 588 Y HA 0.755 5.312 4.550 0.012 0.000 0.302 588 Y C 0.674 176.948 175.900 0.624 0.000 1.610 588 Y CA -1.370 57.051 58.100 0.536 0.000 1.078 588 Y CB -0.104 38.495 38.460 0.232 0.000 1.418 588 Y HN 0.986 nan 8.280 nan 0.000 0.525 589 G N 0.099 109.322 108.800 0.706 0.000 2.138 589 G HA2 0.345 4.313 3.960 0.012 0.000 0.244 589 G HA3 0.345 4.313 3.960 0.012 0.000 0.244 589 G C 1.017 176.253 174.900 0.560 0.000 1.166 589 G CA 0.633 46.084 45.100 0.585 0.000 0.902 589 G HN 2.023 nan 8.290 nan 0.000 0.460 590 G N 2.291 111.394 108.800 0.504 0.000 2.225 590 G HA2 -0.286 3.681 3.960 0.012 0.000 0.254 590 G HA3 -0.286 3.681 3.960 0.012 0.000 0.254 590 G C 0.891 175.988 174.900 0.328 0.000 0.988 590 G CA 0.672 45.997 45.100 0.375 0.000 0.625 590 G HN 0.663 nan 8.290 nan 0.000 0.527 591 D N -0.244 120.360 120.400 0.340 0.000 2.378 591 D HA 0.132 4.779 4.640 0.012 0.000 0.227 591 D C 1.230 177.399 176.300 -0.218 0.000 1.012 591 D CA 0.532 54.560 54.000 0.045 0.000 0.905 591 D CB -0.184 40.570 40.800 -0.077 0.000 0.895 591 D HN 0.489 nan 8.370 nan 0.000 0.532 592 F N -0.952 119.109 119.950 0.185 0.000 2.683 592 F HA 0.314 4.849 4.527 0.012 0.000 0.306 592 F C 1.846 177.723 175.800 0.128 0.000 1.102 592 F CA -0.173 57.898 58.000 0.118 0.000 1.244 592 F CB 0.833 39.888 39.000 0.093 0.000 1.029 592 F HN -0.036 nan 8.300 nan 0.000 0.545 593 G N 0.147 109.104 108.800 0.262 0.000 2.225 593 G HA2 -0.283 3.684 3.960 0.012 0.000 0.254 593 G HA3 -0.283 3.684 3.960 0.012 0.000 0.254 593 G C -0.064 174.970 174.900 0.223 0.000 0.988 593 G CA 0.058 45.278 45.100 0.200 0.000 0.625 593 G HN 0.407 nan 8.290 nan 0.000 0.527 594 D N 0.759 121.342 120.400 0.304 0.000 2.487 594 D HA 0.429 5.077 4.640 0.012 0.000 0.243 594 D C 0.074 176.498 176.300 0.206 0.000 1.154 594 D CA 1.330 55.497 54.000 0.278 0.000 0.876 594 D CB 1.281 42.305 40.800 0.374 0.000 1.161 594 D HN 0.440 nan 8.370 nan 0.000 0.478 595 T N 1.473 116.118 114.554 0.151 0.000 3.097 595 T HA 0.417 4.774 4.350 0.012 0.000 0.332 595 T C -2.751 171.989 174.700 0.067 0.000 1.269 595 T CA -1.173 60.986 62.100 0.099 0.000 1.076 595 T CB 1.048 69.973 68.868 0.095 0.000 1.209 595 T HN 0.218 nan 8.240 nan 0.000 0.474 596 P HA 0.483 nan 4.420 nan 0.000 0.271 596 P C -0.960 176.330 177.300 -0.016 0.000 1.233 596 P CA -0.249 62.850 63.100 -0.003 0.000 0.789 596 P CB 0.352 32.026 31.700 -0.042 0.000 0.951 597 N N -1.663 117.018 118.700 -0.033 0.000 2.708 597 N HA 0.268 5.015 4.740 0.012 0.000 0.257 597 N C -1.318 174.124 175.510 -0.114 0.000 1.373 597 N CA -0.759 52.249 53.050 -0.070 0.000 0.843 597 N CB 0.939 39.482 38.487 0.093 0.000 1.503 597 N HN 0.080 nan 8.380 nan 0.000 0.504 598 D N 0.386 120.648 120.400 -0.230 0.000 2.755 598 D HA 0.202 4.849 4.640 0.012 0.000 0.257 598 D C 0.219 176.645 176.300 0.210 0.000 1.291 598 D CA -0.242 53.684 54.000 -0.123 0.000 0.836 598 D CB 0.141 40.739 40.800 -0.337 0.000 1.059 598 D HN 0.393 nan 8.370 nan 0.000 0.486 599 R N 1.126 121.789 120.500 0.271 0.000 3.657 599 R HA -0.256 4.091 4.340 0.012 0.000 0.533 599 R C 1.606 177.962 176.300 0.094 0.000 0.241 599 R CA 1.381 57.667 56.100 0.309 0.000 1.659 599 R CB -1.610 28.756 30.300 0.110 0.000 0.920 599 R HN 0.333 nan 8.270 nan 0.000 0.599 600 Q N 1.540 121.034 119.800 -0.511 0.000 2.515 600 Q HA -0.045 4.302 4.340 0.012 0.000 0.212 600 Q C 1.800 177.653 176.000 -0.245 0.000 0.970 600 Q CA 1.329 56.692 55.803 -0.734 0.000 0.941 600 Q CB -0.364 27.773 28.738 -1.001 0.000 0.998 600 Q HN 0.595 nan 8.270 nan 0.000 0.518 601 F N 1.855 121.722 119.950 -0.138 0.000 2.583 601 F HA -0.142 4.392 4.527 0.012 0.000 0.297 601 F C 1.824 177.600 175.800 -0.041 0.000 1.131 601 F CA 0.916 58.921 58.000 0.008 0.000 1.467 601 F CB 0.222 39.294 39.000 0.118 0.000 1.097 601 F HN 0.400 nan 8.300 nan 0.000 0.586 602 C N -0.821 118.190 119.300 -0.481 0.000 2.626 602 C HA 0.292 4.759 4.460 0.012 0.000 0.266 602 C C 0.818 175.558 174.990 -0.416 0.000 1.317 602 C CA -0.575 57.980 59.018 -0.772 0.000 1.716 602 C CB -1.718 25.024 27.740 -1.663 0.000 1.819 602 C HN 0.225 nan 8.230 nan 0.000 0.578 603 M N 2.591 122.010 119.600 -0.301 0.000 2.060 603 M HA 0.293 4.780 4.480 0.012 0.000 0.342 603 M C -0.495 175.675 176.300 -0.217 0.000 1.031 603 M CA 0.317 55.496 55.300 -0.202 0.000 0.981 603 M CB 0.043 32.590 32.600 -0.089 0.000 1.376 603 M HN 0.341 nan 8.290 nan 0.000 0.397 604 N N 0.709 119.252 118.700 -0.263 0.000 2.240 604 N HA 0.196 4.944 4.740 0.012 0.000 0.240 604 N C 0.451 175.732 175.510 -0.381 0.000 1.277 604 N CA -0.541 52.307 53.050 -0.336 0.000 0.873 604 N CB 1.193 39.494 38.487 -0.311 0.000 1.222 604 N HN 0.653 nan 8.380 nan 0.000 0.507 605 G N 0.034 108.584 108.800 -0.416 0.000 2.537 605 G HA2 0.329 4.297 3.960 0.012 0.000 0.273 605 G HA3 0.329 4.297 3.960 0.012 0.000 0.273 605 G C 0.671 175.126 174.900 -0.743 0.000 1.189 605 G CA -0.521 44.232 45.100 -0.579 0.000 0.881 605 G HN 0.109 nan 8.290 nan 0.000 0.535 606 L N -0.206 120.559 121.223 -0.763 0.000 2.418 606 L HA 0.148 4.495 4.340 0.012 0.000 0.218 606 L C 0.811 177.073 176.870 -1.012 0.000 1.125 606 L CA 0.298 54.714 54.840 -0.706 0.000 0.835 606 L CB -0.166 41.598 42.059 -0.492 0.000 0.953 606 L HN 0.391 nan 8.230 nan 0.000 0.454 607 V N -5.031 114.133 119.914 -1.249 0.000 2.962 607 V HA 0.489 4.616 4.120 0.012 0.000 0.313 607 V C -0.238 175.312 176.094 -0.908 0.000 1.099 607 V CA -1.224 60.457 62.300 -1.032 0.000 0.971 607 V CB 1.655 32.929 31.823 -0.916 0.000 1.028 607 V HN -0.156 nan 8.190 nan 0.000 0.430 608 F N 1.870 121.615 119.950 -0.343 0.000 2.480 608 F HA 0.562 5.097 4.527 0.013 0.000 0.319 608 F C 1.941 177.641 175.800 -0.168 0.000 1.230 608 F CA 0.698 58.643 58.000 -0.091 0.000 1.285 608 F CB 0.718 39.734 39.000 0.026 0.000 1.208 608 F HN 0.799 nan 8.300 nan 0.000 0.579 609 A N 0.706 123.608 122.820 0.136 0.000 1.986 609 A HA -0.229 4.098 4.320 0.012 0.000 0.220 609 A C 1.604 179.154 177.584 -0.055 0.000 1.171 609 A CA 1.933 53.995 52.037 0.042 0.000 0.640 609 A CB -1.051 18.014 19.000 0.108 0.000 0.811 609 A HN 0.788 nan 8.150 nan 0.000 0.451 610 D N -3.182 117.206 120.400 -0.020 0.000 2.328 610 D HA 0.139 4.787 4.640 0.012 0.000 0.226 610 D C 0.686 176.958 176.300 -0.046 0.000 1.066 610 D CA 0.008 53.963 54.000 -0.076 0.000 0.861 610 D CB -0.073 40.690 40.800 -0.063 0.000 0.912 610 D HN 0.184 nan 8.370 nan 0.000 0.521 611 R N -1.781 118.692 120.500 -0.045 0.000 3.892 611 R HA -0.121 4.226 4.340 0.012 0.000 0.441 611 R C -0.414 175.874 176.300 -0.021 0.000 1.052 611 R CA 1.025 57.086 56.100 -0.066 0.000 1.190 611 R CB -3.230 27.066 30.300 -0.007 0.000 1.808 611 R HN 0.261 nan 8.270 nan 0.000 0.538 612 T N 2.359 116.957 114.554 0.074 0.000 2.870 612 T HA 0.337 4.694 4.350 0.012 0.000 0.300 612 T C -2.317 172.485 174.700 0.171 0.000 0.989 612 T CA -0.767 61.416 62.100 0.139 0.000 1.139 612 T CB 1.049 70.018 68.868 0.169 0.000 0.920 612 T HN -0.083 nan 8.240 nan 0.000 0.537 613 P HA 0.169 nan 4.420 nan 0.000 0.271 613 P C -0.126 177.208 177.300 0.056 0.000 1.218 613 P CA -0.213 62.871 63.100 -0.026 0.000 0.780 613 P CB 0.432 32.129 31.700 -0.006 0.000 0.901 614 H N 2.785 121.679 119.070 -0.293 0.000 2.508 614 H HA 0.124 4.687 4.556 0.012 0.000 0.358 614 H C -1.333 173.897 175.328 -0.164 0.000 1.212 614 H CA -1.961 53.889 56.048 -0.330 0.000 1.356 614 H CB 0.545 30.069 29.762 -0.397 0.000 1.525 614 H HN 0.344 nan 8.280 nan 0.000 0.578 615 P HA -0.184 nan 4.420 nan 0.000 0.218 615 P C 1.144 178.445 177.300 0.003 0.000 1.148 615 P CA 1.603 64.696 63.100 -0.012 0.000 0.822 615 P CB 0.074 31.768 31.700 -0.010 0.000 0.784 616 A N -0.507 122.316 122.820 0.006 0.000 1.978 616 A HA -0.209 4.119 4.320 0.012 0.000 0.220 616 A C 2.076 179.608 177.584 -0.088 0.000 1.170 616 A CA 1.399 53.402 52.037 -0.057 0.000 0.636 616 A CB -1.654 17.290 19.000 -0.093 0.000 0.810 616 A HN 0.160 nan 8.150 nan 0.000 0.448 617 L N -0.392 120.796 121.223 -0.059 0.000 2.043 617 L HA -0.163 4.185 4.340 0.012 0.000 0.212 617 L C 2.523 179.433 176.870 0.067 0.000 1.075 617 L CA 2.826 57.666 54.840 -0.001 0.000 0.752 617 L CB -1.131 40.921 42.059 -0.011 0.000 0.891 617 L HN 0.404 nan 8.230 nan 0.000 0.432 618 T N -1.800 112.799 114.554 0.075 0.000 2.867 618 T HA -0.183 4.174 4.350 0.012 0.000 0.268 618 T C 1.801 176.603 174.700 0.170 0.000 1.057 618 T CA 1.351 63.551 62.100 0.167 0.000 1.136 618 T CB -0.114 68.840 68.868 0.142 0.000 0.874 618 T HN 0.500 nan 8.240 nan 0.000 0.466 619 E N 0.751 120.990 120.200 0.065 0.000 2.106 619 E HA 0.066 4.423 4.350 0.012 0.000 0.192 619 E C 2.149 178.738 176.600 -0.018 0.000 0.984 619 E CA 1.335 57.772 56.400 0.060 0.000 0.806 619 E CB -0.573 29.132 29.700 0.008 0.000 0.750 619 E HN 0.532 nan 8.360 nan 0.000 0.458 620 A N 0.977 123.673 122.820 -0.206 0.000 1.898 620 A HA -0.196 4.131 4.320 0.012 0.000 0.216 620 A C 2.159 179.612 177.584 -0.218 0.000 1.181 620 A CA 1.805 53.659 52.037 -0.305 0.000 0.620 620 A CB -0.599 18.211 19.000 -0.316 0.000 0.819 620 A HN 0.263 nan 8.150 nan 0.000 0.442 621 K N -1.146 119.207 120.400 -0.077 0.000 2.032 621 K HA -0.290 4.038 4.320 0.012 0.000 0.209 621 K C 2.065 178.547 176.600 -0.196 0.000 1.048 621 K CA 2.024 58.277 56.287 -0.057 0.000 0.927 621 K CB -0.363 32.255 32.500 0.197 0.000 0.712 621 K HN 0.628 nan 8.250 nan 0.000 0.441 622 H N 0.353 119.222 119.070 -0.336 0.000 2.321 622 H HA -0.035 4.529 4.556 0.013 0.000 0.300 622 H C 1.931 176.983 175.328 -0.459 0.000 1.087 622 H CA 1.828 57.488 56.048 -0.646 0.000 1.319 622 H CB 0.101 29.501 29.762 -0.603 0.000 1.379 622 H HN 0.245 nan 8.280 nan 0.000 0.501 623 Q N 0.142 119.693 119.800 -0.414 0.000 2.297 623 Q HA -0.063 4.285 4.340 0.012 0.000 0.204 623 Q C 1.438 176.912 176.000 -0.876 0.000 0.962 623 Q CA 1.055 56.550 55.803 -0.514 0.000 0.879 623 Q CB 0.127 28.736 28.738 -0.216 0.000 0.947 623 Q HN 0.700 nan 8.270 nan 0.000 0.462 624 Q N 0.147 119.383 119.800 -0.941 0.000 2.280 624 Q HA 0.090 4.437 4.340 0.012 0.000 0.202 624 Q C -0.182 175.266 176.000 -0.919 0.000 0.903 624 Q CA -0.211 54.878 55.803 -1.190 0.000 0.948 624 Q CB 0.415 28.477 28.738 -1.127 0.000 1.058 624 Q HN 0.370 nan 8.270 nan 0.000 0.493 625 Q N -0.408 119.002 119.800 -0.650 0.000 2.386 625 Q HA -0.039 4.308 4.340 0.012 0.000 0.282 625 Q C -0.143 175.514 176.000 -0.572 0.000 1.050 625 Q CA 0.417 55.970 55.803 -0.416 0.000 0.918 625 Q CB 0.444 29.022 28.738 -0.266 0.000 1.266 625 Q HN 0.307 nan 8.270 nan 0.000 0.423 626 F N 0.321 120.035 119.950 -0.394 0.000 2.727 626 F HA 0.216 4.750 4.527 0.012 0.000 0.302 626 F C -0.199 175.068 175.800 -0.889 0.000 1.097 626 F CA -0.016 57.519 58.000 -0.774 0.000 1.330 626 F CB 0.537 38.714 39.000 -1.373 0.000 1.084 626 F HN 0.311 nan 8.300 nan 0.000 0.578 627 F N 0.473 120.342 119.950 -0.136 0.000 2.518 627 F HA 0.476 5.010 4.527 0.013 0.000 0.323 627 F C -0.070 175.407 175.800 -0.539 0.000 1.129 627 F CA -1.166 56.655 58.000 -0.298 0.000 0.920 627 F CB 1.258 40.120 39.000 -0.231 0.000 1.160 627 F HN -0.301 nan 8.300 nan 0.000 0.440 628 Q N 3.002 122.564 119.800 -0.397 0.000 2.257 628 Q HA 0.609 4.956 4.340 0.012 0.000 0.262 628 Q C -1.295 174.415 176.000 -0.485 0.000 0.997 628 Q CA -0.609 55.003 55.803 -0.318 0.000 0.873 628 Q CB 2.681 31.346 28.738 -0.122 0.000 1.312 628 Q HN 0.526 nan 8.270 nan 0.000 0.450 629 F N 0.136 120.219 119.950 0.221 0.000 2.576 629 F HA 0.598 5.133 4.527 0.013 0.000 0.313 629 F C 0.305 176.361 175.800 0.427 0.000 1.078 629 F CA -0.918 57.296 58.000 0.356 0.000 0.921 629 F CB 1.840 41.186 39.000 0.578 0.000 1.232 629 F HN 0.088 nan 8.300 nan 0.000 0.459 630 R N 1.750 122.563 120.500 0.522 0.000 2.673 630 R HA 0.665 5.012 4.340 0.012 0.000 0.281 630 R C -2.037 174.288 176.300 0.043 0.000 0.991 630 R CA -1.139 55.163 56.100 0.336 0.000 0.896 630 R CB 3.051 33.456 30.300 0.175 0.000 1.201 630 R HN 0.618 nan 8.270 nan 0.000 0.457 631 L N 0.757 121.878 121.223 -0.170 0.000 2.341 631 L HA 0.551 4.898 4.340 0.012 0.000 0.278 631 L C -0.886 175.825 176.870 -0.266 0.000 1.005 631 L CA -0.019 54.509 54.840 -0.520 0.000 0.818 631 L CB 2.043 43.339 42.059 -1.272 0.000 1.259 631 L HN 0.610 nan 8.230 nan 0.000 0.418 632 S N 3.859 119.426 115.700 -0.222 0.000 2.776 632 S HA 0.699 5.176 4.470 0.012 0.000 0.284 632 S C 0.221 174.732 174.600 -0.147 0.000 1.160 632 S CA 0.262 58.378 58.200 -0.140 0.000 1.051 632 S CB 0.306 63.455 63.200 -0.084 0.000 1.037 632 S HN 1.641 nan 8.310 nan 0.000 0.485 633 G N 4.587 113.304 108.800 -0.138 0.000 2.565 633 G HA2 -0.288 3.680 3.960 0.012 0.000 0.295 633 G HA3 -0.288 3.680 3.960 0.012 0.000 0.295 633 G C 0.273 175.072 174.900 -0.168 0.000 1.165 633 G CA 0.660 45.683 45.100 -0.128 0.000 0.977 633 G HN 0.725 nan 8.290 nan 0.000 0.546 634 Q N 0.693 120.396 119.800 -0.162 0.000 2.188 634 Q HA 0.280 4.627 4.340 0.012 0.000 0.212 634 Q C -0.083 175.786 176.000 -0.218 0.000 0.846 634 Q CA 0.335 56.017 55.803 -0.202 0.000 0.989 634 Q CB 0.843 29.475 28.738 -0.176 0.000 1.114 634 Q HN 0.409 nan 8.270 nan 0.000 0.488 635 T N 1.147 115.587 114.554 -0.191 0.000 2.758 635 T HA 0.429 4.787 4.350 0.012 0.000 0.285 635 T C -0.446 174.140 174.700 -0.189 0.000 0.981 635 T CA -0.375 61.628 62.100 -0.163 0.000 0.965 635 T CB 0.844 69.648 68.868 -0.107 0.000 0.927 635 T HN -0.047 nan 8.240 nan 0.000 0.448 636 I N 2.958 123.429 120.570 -0.165 0.000 2.336 636 I HA 0.280 4.458 4.170 0.012 0.000 0.292 636 I C 0.479 176.603 176.117 0.011 0.000 0.991 636 I CA -0.544 60.678 61.300 -0.129 0.000 1.227 636 I CB 1.354 39.292 38.000 -0.103 0.000 1.366 636 I HN 0.579 nan 8.210 nan 0.000 0.466 637 E N 6.202 126.438 120.200 0.060 0.000 2.115 637 E HA 0.457 4.815 4.350 0.012 0.000 0.282 637 E C -1.463 175.233 176.600 0.159 0.000 0.987 637 E CA -0.501 55.953 56.400 0.091 0.000 0.797 637 E CB 1.130 30.867 29.700 0.062 0.000 1.086 637 E HN 0.389 nan 8.360 nan 0.000 0.397 638 V N 4.495 124.488 119.914 0.133 0.000 2.370 638 V HA 0.282 4.410 4.120 0.012 0.000 0.279 638 V C 0.009 176.129 176.094 0.042 0.000 1.029 638 V CA -0.494 61.849 62.300 0.071 0.000 0.870 638 V CB 1.633 33.532 31.823 0.125 0.000 0.984 638 V HN 0.696 nan 8.190 nan 0.000 0.451 639 T N 3.442 117.981 114.554 -0.026 0.000 2.797 639 T HA 0.355 4.712 4.350 0.012 0.000 0.279 639 T C -0.045 174.664 174.700 0.015 0.000 0.991 639 T CA -0.280 61.822 62.100 0.004 0.000 0.979 639 T CB 1.570 70.421 68.868 -0.029 0.000 0.943 639 T HN 0.668 nan 8.240 nan 0.000 0.444 640 S N 1.730 117.451 115.700 0.034 0.000 2.499 640 S HA 0.236 4.714 4.470 0.012 0.000 0.279 640 S C 0.758 175.247 174.600 -0.184 0.000 1.219 640 S CA -0.593 57.558 58.200 -0.082 0.000 1.062 640 S CB 0.629 63.862 63.200 0.055 0.000 0.978 640 S HN 0.719 nan 8.310 nan 0.000 0.489 641 E N 2.850 122.847 120.200 -0.339 0.000 2.481 641 E HA 0.080 4.437 4.350 0.012 0.000 0.198 641 E C -0.750 175.699 176.600 -0.251 0.000 1.027 641 E CA -0.085 56.150 56.400 -0.274 0.000 0.900 641 E CB 0.250 29.766 29.700 -0.307 0.000 0.993 641 E HN 0.661 nan 8.360 nan 0.000 0.482 642 Y N 0.636 120.819 120.300 -0.194 0.000 2.497 642 Y HA -0.027 4.530 4.550 0.012 0.000 0.334 642 Y C 1.390 177.103 175.900 -0.311 0.000 1.199 642 Y CA 0.413 58.380 58.100 -0.222 0.000 1.425 642 Y CB 0.569 38.867 38.460 -0.270 0.000 1.291 642 Y HN -0.040 nan 8.280 nan 0.000 0.562 643 L N 1.430 122.461 121.223 -0.320 0.000 2.463 643 L HA 0.036 4.383 4.340 0.012 0.000 0.219 643 L C 0.623 176.968 176.870 -0.876 0.000 1.088 643 L CA 0.562 54.957 54.840 -0.741 0.000 0.849 643 L CB -0.020 41.312 42.059 -1.212 0.000 1.012 643 L HN 0.549 nan 8.230 nan 0.000 0.468 644 F N -0.677 119.251 119.950 -0.036 0.000 2.658 644 F HA 0.213 4.747 4.527 0.011 0.000 0.293 644 F C 1.252 176.987 175.800 -0.107 0.000 0.986 644 F CA -0.817 57.134 58.000 -0.081 0.000 1.182 644 F CB -0.005 38.943 39.000 -0.088 0.000 0.965 644 F HN -0.144 nan 8.300 nan 0.000 0.659 645 R N 0.673 121.167 120.500 -0.010 0.000 2.500 645 R HA 0.365 4.712 4.340 0.012 0.000 0.277 645 R C -0.510 175.705 176.300 -0.142 0.000 1.026 645 R CA -0.496 55.547 56.100 -0.094 0.000 1.058 645 R CB 0.598 30.751 30.300 -0.245 0.000 1.078 645 R HN 0.097 nan 8.270 nan 0.000 0.509 646 H N 0.560 119.609 119.070 -0.034 0.000 2.508 646 H HA 0.072 4.636 4.556 0.012 0.000 0.358 646 H C 0.163 175.511 175.328 0.035 0.000 1.212 646 H CA -0.004 56.061 56.048 0.028 0.000 1.356 646 H CB 1.758 31.542 29.762 0.037 0.000 1.525 646 H HN 0.788 nan 8.280 nan 0.000 0.578 647 S N 0.606 116.463 115.700 0.261 0.000 4.069 647 S HA -0.044 4.434 4.470 0.012 0.000 0.192 647 S C 0.336 175.042 174.600 0.176 0.000 1.441 647 S CA -0.586 57.778 58.200 0.274 0.000 0.994 647 S CB -0.928 62.493 63.200 0.369 0.000 1.456 647 S HN 0.560 nan 8.310 nan 0.000 0.458 648 D N 0.472 120.947 120.400 0.126 0.000 2.336 648 D HA 0.017 4.665 4.640 0.012 0.000 0.229 648 D C 0.482 176.821 176.300 0.066 0.000 1.061 648 D CA 0.001 54.050 54.000 0.081 0.000 0.875 648 D CB -0.233 40.599 40.800 0.054 0.000 0.904 648 D HN 0.498 nan 8.370 nan 0.000 0.525 649 N N -0.105 118.647 118.700 0.086 0.000 2.646 649 N HA 0.171 4.919 4.740 0.012 0.000 0.296 649 N C -1.577 174.000 175.510 0.112 0.000 1.886 649 N CA -0.273 52.823 53.050 0.077 0.000 0.855 649 N CB 0.323 38.844 38.487 0.058 0.000 1.336 649 N HN -0.027 nan 8.380 nan 0.000 0.496 650 E N -0.251 120.011 120.200 0.103 0.000 2.343 650 E HA 0.550 4.907 4.350 0.012 0.000 0.278 650 E C -1.544 175.091 176.600 0.059 0.000 0.910 650 E CA -0.793 55.662 56.400 0.092 0.000 0.757 650 E CB 2.026 31.768 29.700 0.071 0.000 1.218 650 E HN 0.238 nan 8.360 nan 0.000 0.435 651 L N -0.250 121.013 121.223 0.066 0.000 2.422 651 L HA 0.709 5.056 4.340 0.012 0.000 0.264 651 L C -1.640 175.292 176.870 0.103 0.000 0.984 651 L CA -1.024 53.862 54.840 0.077 0.000 0.819 651 L CB 1.120 43.228 42.059 0.083 0.000 1.330 651 L HN 0.482 nan 8.230 nan 0.000 0.410 652 L N 3.370 124.667 121.223 0.125 0.000 2.257 652 L HA 0.510 4.857 4.340 0.012 0.000 0.290 652 L C -0.639 176.365 176.870 0.224 0.000 1.044 652 L CA 0.207 55.157 54.840 0.183 0.000 0.810 652 L CB 0.304 42.484 42.059 0.202 0.000 1.193 652 L HN 0.825 nan 8.230 nan 0.000 0.425 653 H N 6.273 125.424 119.070 0.136 0.000 2.459 653 H HA 0.365 4.928 4.556 0.012 0.000 0.332 653 H C -1.513 173.909 175.328 0.156 0.000 1.094 653 H CA -0.551 55.541 56.048 0.074 0.000 1.224 653 H CB 0.893 30.656 29.762 0.002 0.000 1.449 653 H HN 0.748 nan 8.280 nan 0.000 0.484 654 W N 5.102 126.294 121.300 -0.180 0.000 2.781 654 W HA 0.580 5.247 4.660 0.012 0.000 0.345 654 W C -1.784 174.730 176.519 -0.007 0.000 1.085 654 W CA -1.334 56.019 57.345 0.013 0.000 1.198 654 W CB 1.325 30.780 29.460 -0.008 0.000 1.423 654 W HN 0.532 nan 8.180 nan 0.000 0.532 655 M N 2.974 122.792 119.600 0.363 0.000 2.322 655 M HA 0.537 5.024 4.480 0.012 0.000 0.285 655 M C -2.499 174.004 176.300 0.338 0.000 1.119 655 M CA -0.499 54.925 55.300 0.206 0.000 0.953 655 M CB 1.908 34.606 32.600 0.164 0.000 1.701 655 M HN 0.215 nan 8.290 nan 0.000 0.479 656 V N 3.890 123.991 119.914 0.312 0.000 2.495 656 V HA 1.029 5.156 4.120 0.012 0.000 0.298 656 V C -0.364 175.845 176.094 0.193 0.000 1.031 656 V CA -0.208 62.264 62.300 0.287 0.000 0.871 656 V CB 1.280 33.283 31.823 0.299 0.000 0.988 656 V HN 1.067 nan 8.190 nan 0.000 0.432 657 A N 4.186 127.128 122.820 0.204 0.000 2.475 657 A HA 0.861 5.188 4.320 0.012 0.000 0.301 657 A C -1.464 176.240 177.584 0.201 0.000 1.059 657 A CA -0.621 51.504 52.037 0.148 0.000 0.710 657 A CB 1.722 20.769 19.000 0.078 0.000 1.288 657 A HN 0.830 nan 8.150 nan 0.000 0.408 658 L N 1.793 123.102 121.223 0.143 0.000 2.272 658 L HA 0.458 4.805 4.340 0.012 0.000 0.284 658 L C -0.500 176.468 176.870 0.163 0.000 1.045 658 L CA 0.264 55.202 54.840 0.163 0.000 0.842 658 L CB -0.218 41.903 42.059 0.103 0.000 1.224 658 L HN 0.734 nan 8.230 nan 0.000 0.430 659 D N 4.738 125.308 120.400 0.284 0.000 2.697 659 D HA -0.211 4.436 4.640 0.012 0.000 0.238 659 D C 1.129 177.437 176.300 0.013 0.000 1.152 659 D CA 1.342 55.489 54.000 0.246 0.000 0.666 659 D CB -0.973 39.947 40.800 0.200 0.000 1.037 659 D HN 1.155 nan 8.370 nan 0.000 0.423 660 G N -0.365 108.397 108.800 -0.064 0.000 2.199 660 G HA2 -0.364 3.604 3.960 0.012 0.000 0.254 660 G HA3 -0.364 3.604 3.960 0.012 0.000 0.254 660 G C 0.263 175.072 174.900 -0.152 0.000 0.982 660 G CA 0.559 45.521 45.100 -0.229 0.000 0.632 660 G HN 0.469 nan 8.290 nan 0.000 0.529 661 K N 1.650 122.016 120.400 -0.056 0.000 2.268 661 K HA 0.436 4.763 4.320 0.012 0.000 0.276 661 K C -2.631 173.961 176.600 -0.013 0.000 1.080 661 K CA -1.919 54.344 56.287 -0.040 0.000 0.910 661 K CB 1.450 33.944 32.500 -0.012 0.000 1.163 661 K HN 0.030 nan 8.250 nan 0.000 0.465 662 P HA -0.127 nan 4.420 nan 0.000 0.258 662 P C -0.167 177.139 177.300 0.011 0.000 1.172 662 P CA 0.174 63.265 63.100 -0.014 0.000 0.762 662 P CB 0.497 32.171 31.700 -0.042 0.000 0.764 663 L N 4.503 125.752 121.223 0.043 0.000 2.347 663 L HA 0.525 4.873 4.340 0.012 0.000 0.196 663 L C 0.530 177.434 176.870 0.057 0.000 1.072 663 L CA 1.183 56.057 54.840 0.057 0.000 0.817 663 L CB -0.181 41.931 42.059 0.090 0.000 1.029 663 L HN 0.398 nan 8.230 nan 0.000 0.478 664 A N -1.759 121.107 122.820 0.076 0.000 2.612 664 A HA 0.758 5.085 4.320 0.012 0.000 0.293 664 A C -1.089 176.407 177.584 -0.147 0.000 1.075 664 A CA 0.142 52.203 52.037 0.040 0.000 0.680 664 A CB 1.118 20.238 19.000 0.200 0.000 1.279 664 A HN 0.235 nan 8.150 nan 0.000 0.411 665 S N -0.711 114.669 115.700 -0.533 0.000 2.588 665 S HA 0.953 5.430 4.470 0.012 0.000 0.269 665 S C -0.265 173.438 174.600 -1.495 0.000 1.157 665 S CA -0.068 57.430 58.200 -1.169 0.000 0.824 665 S CB 1.183 64.066 63.200 -0.528 0.000 1.126 665 S HN 2.573 nan 8.310 nan 0.000 0.464 666 G N -0.044 107.501 108.800 -2.092 0.000 2.548 666 G HA2 0.653 4.621 3.960 0.012 0.000 0.301 666 G HA3 0.653 4.621 3.960 0.012 0.000 0.301 666 G C -2.272 172.049 174.900 -0.964 0.000 1.349 666 G CA -0.818 43.587 45.100 -1.158 0.000 0.792 666 G HN 0.791 nan 8.290 nan 0.000 0.481 667 E N -1.397 118.637 120.200 -0.277 0.000 2.356 667 E HA 0.622 4.980 4.350 0.012 0.000 0.275 667 E C -1.565 175.098 176.600 0.104 0.000 0.904 667 E CA -0.877 55.479 56.400 -0.073 0.000 0.757 667 E CB 3.268 32.944 29.700 -0.039 0.000 1.232 667 E HN 0.324 nan 8.360 nan 0.000 0.442 668 V N 2.259 122.257 119.914 0.139 0.000 2.711 668 V HA 0.304 4.431 4.120 0.012 0.000 0.304 668 V C -2.565 173.590 176.094 0.101 0.000 1.097 668 V CA -1.902 60.474 62.300 0.127 0.000 0.906 668 V CB 1.997 33.909 31.823 0.148 0.000 1.015 668 V HN 0.552 nan 8.190 nan 0.000 0.427 669 P HA 0.240 nan 4.420 nan 0.000 0.268 669 P C -0.661 176.679 177.300 0.067 0.000 1.205 669 P CA 0.004 63.145 63.100 0.067 0.000 0.771 669 P CB 0.549 32.283 31.700 0.056 0.000 0.858 670 L N 3.243 124.500 121.223 0.058 0.000 2.292 670 L HA 0.333 4.681 4.340 0.012 0.000 0.284 670 L C 0.403 177.323 176.870 0.084 0.000 1.065 670 L CA 0.153 55.023 54.840 0.051 0.000 0.806 670 L CB 0.859 42.901 42.059 -0.029 0.000 1.175 670 L HN 0.354 nan 8.230 nan 0.000 0.431 671 D N 3.016 123.478 120.400 0.104 0.000 2.552 671 D HA 0.306 4.953 4.640 0.012 0.000 0.285 671 D C -1.256 175.144 176.300 0.166 0.000 1.206 671 D CA -0.163 53.913 54.000 0.128 0.000 0.826 671 D CB 0.883 41.737 40.800 0.090 0.000 1.179 671 D HN 0.032 nan 8.370 nan 0.000 0.508 672 V N 1.451 121.494 119.914 0.215 0.000 2.459 672 V HA 0.834 4.961 4.120 0.012 0.000 0.295 672 V C 0.913 177.129 176.094 0.203 0.000 1.029 672 V CA -1.085 61.343 62.300 0.213 0.000 0.874 672 V CB 1.266 33.240 31.823 0.253 0.000 0.985 672 V HN 0.531 nan 8.190 nan 0.000 0.438 673 A N 7.048 129.940 122.820 0.119 0.000 2.346 673 A HA 0.637 4.964 4.320 0.012 0.000 0.252 673 A C -2.207 175.252 177.584 -0.208 0.000 1.089 673 A CA -1.405 50.519 52.037 -0.187 0.000 0.797 673 A CB -0.155 18.830 19.000 -0.025 0.000 1.047 673 A HN 0.686 nan 8.150 nan 0.000 0.494 674 P HA 0.030 nan 4.420 nan 0.000 0.263 674 P C -0.554 176.671 177.300 -0.126 0.000 1.195 674 P CA 0.621 63.610 63.100 -0.185 0.000 0.762 674 P CB 0.595 32.166 31.700 -0.216 0.000 0.799 675 Q N -0.474 119.270 119.800 -0.094 0.000 2.416 675 Q HA -0.168 4.180 4.340 0.012 0.000 0.235 675 Q C 0.788 176.763 176.000 -0.042 0.000 0.773 675 Q CA 1.162 56.916 55.803 -0.080 0.000 1.286 675 Q CB -2.012 26.669 28.738 -0.096 0.000 1.556 675 Q HN 0.782 nan 8.270 nan 0.000 0.650 676 G N 0.275 109.064 108.800 -0.018 0.000 2.537 676 G HA2 0.595 4.562 3.960 0.012 0.000 0.297 676 G HA3 0.595 4.562 3.960 0.012 0.000 0.297 676 G C -0.381 174.543 174.900 0.040 0.000 1.310 676 G CA -0.525 44.584 45.100 0.015 0.000 1.027 676 G HN -0.008 nan 8.290 nan 0.000 0.505 677 K N -0.759 119.671 120.400 0.050 0.000 2.443 677 K HA 0.506 4.833 4.320 0.012 0.000 0.251 677 K C -1.085 175.556 176.600 0.069 0.000 0.972 677 K CA -0.667 55.654 56.287 0.056 0.000 0.833 677 K CB 2.624 35.146 32.500 0.038 0.000 1.317 677 K HN 0.497 nan 8.250 nan 0.000 0.441 678 Q N 2.398 122.242 119.800 0.074 0.000 2.271 678 Q HA 0.355 4.702 4.340 0.012 0.000 0.268 678 Q C -1.726 174.311 176.000 0.061 0.000 1.021 678 Q CA -0.584 55.262 55.803 0.072 0.000 0.802 678 Q CB 1.499 30.291 28.738 0.090 0.000 1.282 678 Q HN 0.542 nan 8.270 nan 0.000 0.431 679 L N 5.258 126.505 121.223 0.041 0.000 2.275 679 L HA 0.543 4.890 4.340 0.012 0.000 0.288 679 L C -0.436 176.441 176.870 0.011 0.000 1.046 679 L CA -0.559 54.294 54.840 0.021 0.000 0.805 679 L CB 1.161 43.223 42.059 0.005 0.000 1.193 679 L HN 0.570 nan 8.230 nan 0.000 0.426 680 I N 2.914 123.482 120.570 -0.004 0.000 2.382 680 I HA 0.200 4.377 4.170 0.012 0.000 0.285 680 I C -0.199 175.861 176.117 -0.095 0.000 1.007 680 I CA -0.560 60.723 61.300 -0.028 0.000 1.142 680 I CB 1.936 39.935 38.000 -0.002 0.000 1.289 680 I HN 0.525 nan 8.210 nan 0.000 0.453 681 E N 7.364 127.507 120.200 -0.095 0.000 2.089 681 E HA 0.355 4.712 4.350 0.012 0.000 0.284 681 E C -0.921 175.561 176.600 -0.197 0.000 1.023 681 E CA -0.266 56.055 56.400 -0.132 0.000 0.819 681 E CB 0.665 30.313 29.700 -0.087 0.000 1.076 681 E HN 0.452 nan 8.360 nan 0.000 0.396 682 L N 6.895 127.932 121.223 -0.311 0.000 2.439 682 L HA 0.339 4.686 4.340 0.012 0.000 0.269 682 L C -1.529 175.157 176.870 -0.307 0.000 1.179 682 L CA -1.785 52.763 54.840 -0.486 0.000 0.828 682 L CB 0.443 42.065 42.059 -0.728 0.000 1.106 682 L HN 0.565 nan 8.230 nan 0.000 0.467 683 P HA -0.034 nan 4.420 nan 0.000 0.282 683 P C -0.741 176.501 177.300 -0.096 0.000 1.286 683 P CA -0.493 62.550 63.100 -0.096 0.000 0.777 683 P CB 0.425 32.137 31.700 0.020 0.000 1.184 684 E N 0.236 120.413 120.200 -0.038 0.000 2.328 684 E HA 0.105 4.462 4.350 0.012 0.000 0.265 684 E C -0.547 176.050 176.600 -0.005 0.000 1.057 684 E CA -0.207 56.175 56.400 -0.030 0.000 0.916 684 E CB -0.287 29.405 29.700 -0.013 0.000 0.993 684 E HN 0.284 nan 8.360 nan 0.000 0.446 685 L N 8.301 129.513 121.223 -0.020 0.000 2.295 685 L HA 0.287 4.634 4.340 0.012 0.000 0.288 685 L C -1.629 175.253 176.870 0.021 0.000 1.079 685 L CA -1.924 52.927 54.840 0.018 0.000 0.830 685 L CB 0.454 42.514 42.059 0.000 0.000 1.200 685 L HN 0.498 nan 8.230 nan 0.000 0.438 686 P HA 0.023 nan 4.420 nan 0.000 0.268 686 P C -0.669 176.647 177.300 0.027 0.000 1.204 686 P CA -0.268 62.848 63.100 0.028 0.000 0.768 686 P CB 0.693 32.413 31.700 0.033 0.000 0.842 687 Q N 3.487 123.298 119.800 0.017 0.000 2.349 687 Q HA 0.096 4.443 4.340 0.012 0.000 0.287 687 Q C -1.517 174.497 176.000 0.024 0.000 1.044 687 Q CA -1.014 54.799 55.803 0.017 0.000 0.918 687 Q CB -0.228 28.516 28.738 0.010 0.000 1.242 687 Q HN 0.459 nan 8.270 nan 0.000 0.405 688 P HA -0.029 nan 4.420 nan 0.000 0.272 688 P C -0.708 176.608 177.300 0.026 0.000 1.230 688 P CA 0.113 63.233 63.100 0.033 0.000 0.788 688 P CB 0.636 32.360 31.700 0.040 0.000 0.949 689 E N -0.217 119.998 120.200 0.026 0.000 2.437 689 E HA 0.100 4.458 4.350 0.012 0.000 0.189 689 E C 0.461 177.075 176.600 0.024 0.000 1.054 689 E CA -0.025 56.389 56.400 0.022 0.000 0.874 689 E CB 0.155 29.866 29.700 0.019 0.000 1.011 689 E HN 0.530 nan 8.360 nan 0.000 0.474 690 S N -0.923 114.794 115.700 0.028 0.000 2.672 690 S HA 0.667 5.144 4.470 0.012 0.000 0.271 690 S C -0.528 174.094 174.600 0.036 0.000 1.171 690 S CA -0.925 57.294 58.200 0.031 0.000 0.817 690 S CB 1.282 64.502 63.200 0.033 0.000 1.150 690 S HN 0.049 nan 8.310 nan 0.000 0.478 691 A N -0.112 122.731 122.820 0.038 0.000 2.313 691 A HA 0.923 5.250 4.320 0.012 0.000 0.261 691 A C 0.942 178.560 177.584 0.057 0.000 1.090 691 A CA 0.217 52.279 52.037 0.042 0.000 0.807 691 A CB -0.446 18.579 19.000 0.041 0.000 1.055 691 A HN 2.611 nan 8.150 nan 0.000 0.492 692 G N -1.005 107.831 108.800 0.060 0.000 2.353 692 G HA2 0.422 4.389 3.960 0.012 0.000 0.424 692 G HA3 0.422 4.389 3.960 0.012 0.000 0.424 692 G C -1.068 173.878 174.900 0.078 0.000 1.320 692 G CA -0.141 45.012 45.100 0.088 0.000 0.995 692 G HN 1.176 nan 8.290 nan 0.000 0.580 693 Q N -0.280 119.593 119.800 0.122 0.000 2.290 693 Q HA 0.723 5.071 4.340 0.012 0.000 0.259 693 Q C -0.256 175.814 176.000 0.118 0.000 0.941 693 Q CA -0.553 55.281 55.803 0.052 0.000 0.912 693 Q CB 1.232 29.979 28.738 0.015 0.000 1.244 693 Q HN 0.585 nan 8.270 nan 0.000 0.441 694 L N 4.504 125.723 121.223 -0.007 0.000 2.305 694 L HA 0.427 4.774 4.340 0.012 0.000 0.281 694 L C -0.817 176.041 176.870 -0.020 0.000 1.085 694 L CA -0.355 54.527 54.840 0.069 0.000 0.813 694 L CB 0.626 42.706 42.059 0.034 0.000 1.157 694 L HN 0.684 nan 8.230 nan 0.000 0.436 695 W N 4.539 125.908 121.300 0.115 0.000 2.702 695 W HA 0.505 5.172 4.660 0.012 0.000 0.331 695 W C -0.729 175.899 176.519 0.181 0.000 1.049 695 W CA -0.535 56.900 57.345 0.150 0.000 1.230 695 W CB 1.654 31.227 29.460 0.188 0.000 1.408 695 W HN 0.131 nan 8.180 nan 0.000 0.492 696 L N 3.495 124.986 121.223 0.447 0.000 2.296 696 L HA 0.750 5.097 4.340 0.012 0.000 0.286 696 L C -0.381 176.789 176.870 0.500 0.000 1.023 696 L CA 0.144 55.238 54.840 0.423 0.000 0.812 696 L CB 1.272 43.537 42.059 0.343 0.000 1.223 696 L HN 0.313 nan 8.230 nan 0.000 0.421 697 T N 5.105 119.909 114.554 0.416 0.000 2.848 697 T HA 0.671 5.028 4.350 0.012 0.000 0.285 697 T C -0.807 174.099 174.700 0.343 0.000 0.995 697 T CA -0.434 61.871 62.100 0.342 0.000 0.970 697 T CB 1.555 70.566 68.868 0.238 0.000 0.976 697 T HN 0.600 nan 8.240 nan 0.000 0.441 698 V N 1.394 121.475 119.914 0.279 0.000 2.769 698 V HA 0.856 4.983 4.120 0.012 0.000 0.312 698 V C -0.908 175.279 176.094 0.156 0.000 1.061 698 V CA -1.071 61.364 62.300 0.226 0.000 0.931 698 V CB 2.094 33.991 31.823 0.124 0.000 1.010 698 V HN 0.766 nan 8.190 nan 0.000 0.433 699 R N 2.418 123.042 120.500 0.206 0.000 2.621 699 R HA 0.651 4.999 4.340 0.012 0.000 0.284 699 R C -1.639 174.800 176.300 0.232 0.000 0.998 699 R CA -0.718 55.521 56.100 0.231 0.000 0.895 699 R CB 2.476 32.871 30.300 0.159 0.000 1.195 699 R HN 0.672 nan 8.270 nan 0.000 0.450 700 V N 3.524 123.604 119.914 0.276 0.000 2.406 700 V HA 0.278 4.405 4.120 0.012 0.000 0.272 700 V C 0.099 176.312 176.094 0.199 0.000 1.043 700 V CA -0.504 61.929 62.300 0.221 0.000 0.915 700 V CB 1.575 33.534 31.823 0.226 0.000 0.988 700 V HN 0.402 nan 8.190 nan 0.000 0.466 701 V N 5.458 125.463 119.914 0.151 0.000 2.581 701 V HA 0.419 4.546 4.120 0.012 0.000 0.303 701 V C -0.215 175.959 176.094 0.133 0.000 1.041 701 V CA -0.798 61.577 62.300 0.125 0.000 0.907 701 V CB 1.986 33.861 31.823 0.086 0.000 0.994 701 V HN 0.874 nan 8.190 nan 0.000 0.442 702 Q N 4.655 124.543 119.800 0.146 0.000 2.398 702 Q HA 0.269 4.616 4.340 0.012 0.000 0.251 702 Q C -1.957 174.084 176.000 0.068 0.000 0.999 702 Q CA -1.736 54.142 55.803 0.125 0.000 0.874 702 Q CB 1.799 30.626 28.738 0.149 0.000 1.215 702 Q HN 0.456 nan 8.270 nan 0.000 0.470 703 P HA -0.228 nan 4.420 nan 0.000 0.214 703 P C -0.460 176.845 177.300 0.007 0.000 1.163 703 P CA 1.367 64.485 63.100 0.030 0.000 0.889 703 P CB 0.287 32.006 31.700 0.031 0.000 0.790 704 N N -0.720 117.977 118.700 -0.005 0.000 2.524 704 N HA 0.403 5.150 4.740 0.012 0.000 0.283 704 N C -0.298 175.164 175.510 -0.080 0.000 1.142 704 N CA -0.746 52.284 53.050 -0.033 0.000 0.984 704 N CB 0.728 39.197 38.487 -0.030 0.000 1.155 704 N HN -0.015 nan 8.380 nan 0.000 0.467 705 A N 0.765 123.530 122.820 -0.093 0.000 2.332 705 A HA 0.461 4.788 4.320 0.012 0.000 0.258 705 A C 0.538 177.999 177.584 -0.206 0.000 1.087 705 A CA -0.170 51.775 52.037 -0.153 0.000 0.802 705 A CB 0.254 19.191 19.000 -0.105 0.000 1.042 705 A HN 0.706 nan 8.150 nan 0.000 0.489 706 T N -3.015 111.332 114.554 -0.345 0.000 2.773 706 T HA 0.624 4.982 4.350 0.012 0.000 0.278 706 T C 0.982 175.523 174.700 -0.266 0.000 1.011 706 T CA 0.065 61.947 62.100 -0.363 0.000 1.014 706 T CB 1.061 69.506 68.868 -0.705 0.000 1.293 706 T HN 1.324 nan 8.240 nan 0.000 0.554 707 A N -0.149 122.602 122.820 -0.115 0.000 2.067 707 A HA 0.110 4.437 4.320 0.012 0.000 0.219 707 A C 1.684 179.418 177.584 0.250 0.000 1.158 707 A CA 1.107 53.187 52.037 0.073 0.000 0.661 707 A CB -0.893 18.161 19.000 0.089 0.000 0.801 707 A HN 0.913 nan 8.150 nan 0.000 0.452 708 W N -0.834 120.534 121.300 0.113 0.000 2.870 708 W HA 0.394 5.061 4.660 0.013 0.000 0.358 708 W C -0.133 176.360 176.519 -0.044 0.000 1.043 708 W CA 0.548 57.932 57.345 0.064 0.000 1.692 708 W CB -0.925 28.562 29.460 0.045 0.000 1.100 708 W HN 0.406 nan 8.180 nan 0.000 0.557 709 S N 0.967 116.239 115.700 -0.714 0.000 2.579 709 S HA 0.428 4.906 4.470 0.012 0.000 0.272 709 S C -0.571 173.790 174.600 -0.399 0.000 1.141 709 S CA -0.799 57.000 58.200 -0.669 0.000 0.843 709 S CB 2.585 64.956 63.200 -1.383 0.000 1.122 709 S HN 0.216 nan 8.310 nan 0.000 0.468 710 E N 1.210 121.292 120.200 -0.196 0.000 2.280 710 E HA 0.620 4.977 4.350 0.012 0.000 0.264 710 E C 0.093 176.658 176.600 -0.058 0.000 1.064 710 E CA -1.166 55.178 56.400 -0.094 0.000 0.900 710 E CB 1.049 30.735 29.700 -0.023 0.000 1.123 710 E HN 0.877 nan 8.360 nan 0.000 0.418 711 A N 0.518 123.314 122.820 -0.040 0.000 2.540 711 A HA 0.379 4.706 4.320 0.012 0.000 0.239 711 A C 1.241 178.836 177.584 0.018 0.000 1.061 711 A CA 0.731 52.758 52.037 -0.016 0.000 0.758 711 A CB -0.836 18.155 19.000 -0.015 0.000 0.991 711 A HN 1.184 nan 8.150 nan 0.000 0.502 712 G N 0.593 109.414 108.800 0.035 0.000 2.157 712 G HA2 -0.241 3.726 3.960 0.012 0.000 0.248 712 G HA3 -0.241 3.726 3.960 0.012 0.000 0.248 712 G C 0.304 175.247 174.900 0.071 0.000 0.979 712 G CA 0.432 45.556 45.100 0.040 0.000 0.650 712 G HN 1.489 nan 8.290 nan 0.000 0.529 713 H N 1.026 120.102 119.070 0.008 0.000 2.964 713 H HA 0.264 4.828 4.556 0.012 0.000 0.328 713 H C 0.137 175.537 175.328 0.120 0.000 1.030 713 H CA 0.074 56.152 56.048 0.050 0.000 1.445 713 H CB 0.278 30.045 29.762 0.007 0.000 1.449 713 H HN 0.102 nan 8.280 nan 0.000 0.581 714 I N 5.549 125.873 120.570 -0.412 0.000 2.325 714 I HA -0.083 4.094 4.170 0.012 0.000 0.291 714 I C 1.495 177.479 176.117 -0.221 0.000 1.019 714 I CA 0.071 61.267 61.300 -0.173 0.000 1.302 714 I CB 1.120 39.080 38.000 -0.066 0.000 1.401 714 I HN 0.625 nan 8.210 nan 0.000 0.485 715 S N 4.147 119.950 115.700 0.172 0.000 2.505 715 S HA 0.558 5.035 4.470 0.012 0.000 0.216 715 S C 0.557 175.427 174.600 0.451 0.000 1.018 715 S CA 0.088 58.531 58.200 0.404 0.000 0.911 715 S CB 0.705 64.265 63.200 0.599 0.000 0.818 715 S HN 0.759 nan 8.310 nan 0.000 0.497 716 A N 0.449 123.564 122.820 0.492 0.000 2.605 716 A HA 0.650 4.977 4.320 0.012 0.000 0.294 716 A C -1.767 176.163 177.584 0.577 0.000 1.062 716 A CA -0.858 51.447 52.037 0.447 0.000 0.682 716 A CB 0.376 19.690 19.000 0.523 0.000 1.278 716 A HN 0.927 nan 8.150 nan 0.000 0.410 717 W N 0.015 121.496 121.300 0.301 0.000 3.005 717 W HA 0.826 5.494 4.660 0.013 0.000 0.343 717 W C -1.177 175.398 176.519 0.094 0.000 1.243 717 W CA -0.636 56.775 57.345 0.110 0.000 1.186 717 W CB 1.175 30.668 29.460 0.054 0.000 1.453 717 W HN 1.041 nan 8.180 nan 0.000 0.575 718 Q N 0.947 120.803 119.800 0.095 0.000 2.594 718 Q HA 0.398 4.746 4.340 0.012 0.000 0.278 718 Q C -1.626 174.230 176.000 -0.239 0.000 0.961 718 Q CA -0.442 55.257 55.803 -0.173 0.000 0.844 718 Q CB 2.302 30.744 28.738 -0.493 0.000 1.475 718 Q HN 0.621 nan 8.270 nan 0.000 0.389 719 Q N 1.301 120.905 119.800 -0.327 0.000 2.433 719 Q HA 0.663 5.011 4.340 0.012 0.000 0.279 719 Q C -1.228 174.645 176.000 -0.213 0.000 1.105 719 Q CA -0.727 55.058 55.803 -0.030 0.000 0.815 719 Q CB 2.319 31.219 28.738 0.270 0.000 1.403 719 Q HN 0.603 nan 8.270 nan 0.000 0.435 720 W N 0.889 122.348 121.300 0.265 0.000 3.217 720 W HA 0.401 5.068 4.660 0.012 0.000 0.323 720 W C -0.557 175.895 176.519 -0.111 0.000 1.216 720 W CA -0.610 56.788 57.345 0.088 0.000 1.194 720 W CB 1.696 31.180 29.460 0.040 0.000 1.397 720 W HN 0.443 nan 8.180 nan 0.000 0.537 721 R N 1.986 122.378 120.500 -0.179 0.000 2.340 721 R HA 0.503 4.851 4.340 0.012 0.000 0.300 721 R C 0.429 176.575 176.300 -0.256 0.000 1.069 721 R CA -0.165 55.551 56.100 -0.640 0.000 0.984 721 R CB 1.239 31.095 30.300 -0.740 0.000 1.003 721 R HN 0.317 nan 8.270 nan 0.000 0.459 722 L N 1.290 122.369 121.223 -0.240 0.000 2.783 722 L HA 0.528 4.876 4.340 0.012 0.000 0.205 722 L C 0.545 177.333 176.870 -0.136 0.000 1.985 722 L CA -1.005 53.760 54.840 -0.124 0.000 2.546 722 L CB -0.077 41.946 42.059 -0.058 0.000 2.829 722 L HN 0.583 nan 8.230 nan 0.000 0.614 723 A N 0.455 123.222 122.820 -0.088 0.000 2.483 723 A HA 0.210 4.538 4.320 0.012 0.000 0.238 723 A C -0.300 177.237 177.584 -0.078 0.000 1.070 723 A CA 0.258 52.252 52.037 -0.072 0.000 0.770 723 A CB 0.082 19.056 19.000 -0.043 0.000 1.008 723 A HN 0.600 nan 8.150 nan 0.000 0.497 724 E N 1.472 121.632 120.200 -0.068 0.000 2.234 724 E HA 0.310 4.667 4.350 0.012 0.000 0.266 724 E C -1.448 175.139 176.600 -0.022 0.000 0.877 724 E CA -0.697 55.671 56.400 -0.054 0.000 0.758 724 E CB 0.937 30.591 29.700 -0.078 0.000 1.170 724 E HN 0.694 nan 8.360 nan 0.000 0.415 725 N N 5.283 123.982 118.700 -0.002 0.000 2.564 725 N HA 0.259 5.006 4.740 0.012 0.000 0.248 725 N C -0.603 174.918 175.510 0.019 0.000 0.986 725 N CA -0.355 52.700 53.050 0.008 0.000 0.921 725 N CB 1.215 39.711 38.487 0.014 0.000 1.136 725 N HN 0.496 nan 8.380 nan 0.000 0.509 726 L N 1.038 122.271 121.223 0.017 0.000 2.455 726 L HA 0.066 4.413 4.340 0.012 0.000 0.272 726 L C 1.357 178.246 176.870 0.030 0.000 1.174 726 L CA 0.152 55.008 54.840 0.026 0.000 0.869 726 L CB 0.441 42.514 42.059 0.022 0.000 1.130 726 L HN 0.370 nan 8.230 nan 0.000 0.474 727 S N 2.153 117.876 115.700 0.039 0.000 2.533 727 S HA 0.200 4.678 4.470 0.012 0.000 0.282 727 S C 0.632 175.253 174.600 0.035 0.000 1.304 727 S CA -0.680 57.544 58.200 0.039 0.000 1.063 727 S CB 0.734 63.963 63.200 0.047 0.000 0.881 727 S HN 0.481 nan 8.310 nan 0.000 0.493 728 V N 2.035 121.966 119.914 0.030 0.000 3.346 728 V HA 0.354 4.481 4.120 0.012 0.000 0.309 728 V C 0.526 176.635 176.094 0.025 0.000 1.457 728 V CA 0.120 62.436 62.300 0.026 0.000 1.069 728 V CB -0.471 31.365 31.823 0.021 0.000 0.944 728 V HN 0.860 nan 8.190 nan 0.000 0.449 729 T N 0.690 115.261 114.554 0.028 0.000 2.743 729 T HA 0.684 5.041 4.350 0.012 0.000 0.293 729 T C -0.197 174.521 174.700 0.030 0.000 0.945 729 T CA -0.401 61.715 62.100 0.027 0.000 1.030 729 T CB 1.278 70.163 68.868 0.027 0.000 0.912 729 T HN 0.293 nan 8.240 nan 0.000 0.483 730 L N 4.980 126.219 121.223 0.027 0.000 2.439 730 L HA 0.364 4.712 4.340 0.012 0.000 0.269 730 L C -1.006 175.882 176.870 0.030 0.000 1.179 730 L CA -1.872 52.985 54.840 0.028 0.000 0.828 730 L CB 0.075 42.148 42.059 0.022 0.000 1.106 730 L HN 0.599 nan 8.230 nan 0.000 0.467 731 P HA 0.089 nan 4.420 nan 0.000 0.270 731 P C -0.775 176.546 177.300 0.036 0.000 1.223 731 P CA -0.543 62.580 63.100 0.038 0.000 0.785 731 P CB 0.626 32.352 31.700 0.043 0.000 0.923 732 A N 1.990 124.834 122.820 0.041 0.000 2.548 732 A HA 0.390 4.717 4.320 0.012 0.000 0.247 732 A C 0.900 178.512 177.584 0.048 0.000 1.067 732 A CA 0.076 52.141 52.037 0.046 0.000 0.757 732 A CB -0.731 18.302 19.000 0.055 0.000 0.996 732 A HN 0.745 nan 8.150 nan 0.000 0.504 733 A N 3.452 126.292 122.820 0.032 0.000 2.565 733 A HA 0.459 4.786 4.320 0.012 0.000 0.237 733 A C 0.965 178.571 177.584 0.036 0.000 1.053 733 A CA 0.569 52.608 52.037 0.003 0.000 0.755 733 A CB -0.330 18.639 19.000 -0.051 0.000 0.980 733 A HN 1.916 nan 8.150 nan 0.000 0.506 734 S N 1.304 117.022 115.700 0.030 0.000 2.565 734 S HA 0.541 5.019 4.470 0.012 0.000 0.290 734 S C 0.190 174.823 174.600 0.056 0.000 1.150 734 S CA -0.524 57.743 58.200 0.112 0.000 1.058 734 S CB 0.928 64.182 63.200 0.091 0.000 1.032 734 S HN 0.670 nan 8.310 nan 0.000 0.510 735 H N 0.939 120.024 119.070 0.026 0.000 2.582 735 H HA 0.498 5.061 4.556 0.012 0.000 0.269 735 H C 1.085 176.430 175.328 0.028 0.000 0.962 735 H CA 0.674 56.736 56.048 0.023 0.000 1.230 735 H CB -0.186 29.588 29.762 0.020 0.000 1.445 735 H HN 0.849 nan 8.280 nan 0.000 0.528 736 A N 1.173 124.089 122.820 0.160 0.000 2.351 736 A HA 0.519 4.847 4.320 0.012 0.000 0.257 736 A C -0.305 177.331 177.584 0.086 0.000 1.087 736 A CA -0.209 51.894 52.037 0.110 0.000 0.798 736 A CB 0.154 19.216 19.000 0.104 0.000 1.033 736 A HN 0.285 nan 8.150 nan 0.000 0.488 737 I N 2.073 122.692 120.570 0.083 0.000 2.478 737 I HA 0.280 4.458 4.170 0.012 0.000 0.287 737 I C -2.458 173.717 176.117 0.098 0.000 1.042 737 I CA -1.926 59.417 61.300 0.072 0.000 1.067 737 I CB 2.195 40.231 38.000 0.059 0.000 1.233 737 I HN 0.424 nan 8.210 nan 0.000 0.431 738 P HA 0.005 nan 4.420 nan 0.000 0.266 738 P C -0.976 176.408 177.300 0.139 0.000 1.195 738 P CA 0.203 63.379 63.100 0.127 0.000 0.768 738 P CB 0.266 32.004 31.700 0.063 0.000 0.838 739 H N 2.461 121.583 119.070 0.087 0.000 2.488 739 H HA 0.487 5.050 4.556 0.012 0.000 0.322 739 H C -1.034 174.345 175.328 0.084 0.000 1.078 739 H CA -0.803 55.286 56.048 0.069 0.000 1.260 739 H CB 0.436 30.236 29.762 0.063 0.000 1.425 739 H HN 0.180 nan 8.280 nan 0.000 0.471 740 L N 4.998 125.917 121.223 -0.506 0.000 2.276 740 L HA 0.433 4.781 4.340 0.012 0.000 0.286 740 L C -0.739 175.882 176.870 -0.416 0.000 1.061 740 L CA 0.161 54.811 54.840 -0.317 0.000 0.807 740 L CB 1.253 43.185 42.059 -0.212 0.000 1.177 740 L HN 0.738 nan 8.230 nan 0.000 0.429 741 T N 3.447 117.944 114.554 -0.095 0.000 2.807 741 T HA 0.586 4.944 4.350 0.012 0.000 0.279 741 T C -0.484 174.291 174.700 0.125 0.000 0.993 741 T CA -0.419 61.695 62.100 0.024 0.000 0.970 741 T CB 1.324 70.261 68.868 0.115 0.000 0.950 741 T HN 0.678 nan 8.240 nan 0.000 0.441 742 T N 2.576 117.204 114.554 0.123 0.000 2.829 742 T HA 0.738 5.095 4.350 0.012 0.000 0.280 742 T C -0.138 174.595 174.700 0.056 0.000 0.999 742 T CA -0.808 61.387 62.100 0.158 0.000 0.983 742 T CB 1.441 70.442 68.868 0.221 0.000 0.968 742 T HN 0.706 nan 8.240 nan 0.000 0.446 743 S N 1.084 116.774 115.700 -0.017 0.000 2.697 743 S HA 0.533 5.010 4.470 0.012 0.000 0.289 743 S C 0.855 175.388 174.600 -0.112 0.000 1.149 743 S CA -0.757 57.419 58.200 -0.040 0.000 0.850 743 S CB 1.884 65.073 63.200 -0.018 0.000 1.151 743 S HN 0.564 nan 8.310 nan 0.000 0.491 744 E N 0.367 120.518 120.200 -0.081 0.000 2.110 744 E HA -0.013 4.344 4.350 0.012 0.000 0.193 744 E C 1.388 177.907 176.600 -0.135 0.000 0.988 744 E CA 1.826 58.167 56.400 -0.098 0.000 0.804 744 E CB -0.279 29.388 29.700 -0.055 0.000 0.745 744 E HN 0.725 nan 8.360 nan 0.000 0.458 745 M N -0.267 119.268 119.600 -0.108 0.000 2.333 745 M HA 0.241 4.728 4.480 0.012 0.000 0.257 745 M C -0.650 175.585 176.300 -0.108 0.000 1.078 745 M CA 0.027 55.270 55.300 -0.096 0.000 1.005 745 M CB 0.590 33.168 32.600 -0.037 0.000 1.444 745 M HN -0.131 nan 8.290 nan 0.000 0.496 746 D N -0.941 119.371 120.400 -0.146 0.000 2.602 746 D HA 0.431 5.078 4.640 0.012 0.000 0.236 746 D C -1.490 174.747 176.300 -0.106 0.000 1.209 746 D CA -0.316 53.637 54.000 -0.077 0.000 0.831 746 D CB 1.835 42.672 40.800 0.062 0.000 1.478 746 D HN -0.186 nan 8.370 nan 0.000 0.438 747 F N 1.235 121.271 119.950 0.144 0.000 2.434 747 F HA 0.388 4.923 4.527 0.012 0.000 0.367 747 F C -0.521 175.416 175.800 0.229 0.000 1.093 747 F CA -1.118 56.959 58.000 0.128 0.000 1.085 747 F CB 0.835 39.876 39.000 0.069 0.000 1.322 747 F HN 0.289 nan 8.300 nan 0.000 0.452 748 C N 4.637 124.154 119.300 0.362 0.000 2.366 748 C HA 0.747 5.214 4.460 0.012 0.000 0.345 748 C C 0.314 175.480 174.990 0.292 0.000 1.209 748 C CA -0.903 58.316 59.018 0.335 0.000 2.050 748 C CB 0.685 28.569 27.740 0.240 0.000 2.359 748 C HN 0.596 nan 8.230 nan 0.000 0.527 749 I N 3.262 124.058 120.570 0.377 0.000 2.545 749 I HA 0.457 4.634 4.170 0.012 0.000 0.292 749 I C -0.547 175.844 176.117 0.457 0.000 1.040 749 I CA -0.208 61.304 61.300 0.354 0.000 1.068 749 I CB 1.769 39.977 38.000 0.346 0.000 1.251 749 I HN 0.677 nan 8.210 nan 0.000 0.424 750 E N 6.767 127.182 120.200 0.359 0.000 2.272 750 E HA 0.609 4.966 4.350 0.012 0.000 0.269 750 E C -1.779 175.007 176.600 0.311 0.000 0.877 750 E CA -0.973 55.614 56.400 0.312 0.000 0.755 750 E CB 3.210 33.021 29.700 0.185 0.000 1.192 750 E HN 0.431 nan 8.360 nan 0.000 0.422 751 L N 2.114 123.518 121.223 0.302 0.000 2.541 751 L HA 0.525 4.872 4.340 0.012 0.000 0.266 751 L C 0.436 177.392 176.870 0.144 0.000 0.966 751 L CA 1.034 56.026 54.840 0.253 0.000 0.871 751 L CB 1.374 43.657 42.059 0.374 0.000 1.232 751 L HN 0.975 nan 8.230 nan 0.000 0.408 752 G N 4.571 113.425 108.800 0.090 0.000 2.611 752 G HA2 -0.422 3.545 3.960 0.012 0.000 0.301 752 G HA3 -0.422 3.545 3.960 0.012 0.000 0.301 752 G C 0.520 175.424 174.900 0.008 0.000 1.233 752 G CA 0.583 45.709 45.100 0.043 0.000 0.993 752 G HN 1.287 nan 8.290 nan 0.000 0.553 753 N N 1.513 120.204 118.700 -0.014 0.000 2.362 753 N HA 0.116 4.863 4.740 0.012 0.000 0.204 753 N C 0.223 175.682 175.510 -0.085 0.000 1.166 753 N CA 0.718 53.741 53.050 -0.045 0.000 0.831 753 N CB 0.170 38.632 38.487 -0.041 0.000 1.008 753 N HN 0.737 nan 8.380 nan 0.000 0.472 754 K N 0.300 120.631 120.400 -0.115 0.000 2.259 754 K HA 0.466 4.793 4.320 0.012 0.000 0.252 754 K C -0.720 175.657 176.600 -0.371 0.000 0.936 754 K CA -0.743 55.352 56.287 -0.320 0.000 0.810 754 K CB 2.612 34.843 32.500 -0.448 0.000 1.143 754 K HN 0.030 nan 8.250 nan 0.000 0.427 755 R N 2.087 122.293 120.500 -0.490 0.000 2.626 755 R HA 0.382 4.730 4.340 0.012 0.000 0.274 755 R C -1.632 174.531 176.300 -0.228 0.000 1.031 755 R CA -0.614 55.396 56.100 -0.150 0.000 0.898 755 R CB 1.383 31.741 30.300 0.096 0.000 1.222 755 R HN 0.616 nan 8.270 nan 0.000 0.455 756 W N 3.238 124.654 121.300 0.193 0.000 2.702 756 W HA 0.341 5.008 4.660 0.012 0.000 0.331 756 W C -0.717 175.862 176.519 0.100 0.000 1.049 756 W CA -0.670 56.696 57.345 0.035 0.000 1.230 756 W CB 2.171 31.646 29.460 0.024 0.000 1.408 756 W HN 0.512 nan 8.180 nan 0.000 0.492 757 Q N 2.660 122.507 119.800 0.078 0.000 2.310 757 Q HA 0.428 4.775 4.340 0.012 0.000 0.270 757 Q C -1.944 173.960 176.000 -0.160 0.000 1.025 757 Q CA -0.476 55.401 55.803 0.123 0.000 0.772 757 Q CB 1.360 30.241 28.738 0.238 0.000 1.253 757 Q HN 0.341 nan 8.270 nan 0.000 0.450 758 F N 2.910 122.937 119.950 0.129 0.000 2.388 758 F HA 0.301 4.836 4.527 0.012 0.000 0.358 758 F C 0.566 176.414 175.800 0.080 0.000 1.122 758 F CA -0.921 57.130 58.000 0.085 0.000 1.056 758 F CB 1.183 40.236 39.000 0.089 0.000 1.155 758 F HN 0.507 nan 8.300 nan 0.000 0.461 759 N N 3.763 122.572 118.700 0.182 0.000 2.438 759 N HA 0.030 4.777 4.740 0.012 0.000 0.267 759 N C 1.004 176.562 175.510 0.079 0.000 1.222 759 N CA 0.199 53.314 53.050 0.109 0.000 0.930 759 N CB 0.595 39.148 38.487 0.110 0.000 1.083 759 N HN 0.670 nan 8.380 nan 0.000 0.476 760 R N 2.465 122.946 120.500 -0.031 0.000 2.280 760 R HA -0.083 4.265 4.340 0.012 0.000 0.207 760 R C 0.950 177.212 176.300 -0.063 0.000 1.043 760 R CA 0.891 56.926 56.100 -0.108 0.000 1.006 760 R CB 0.291 30.396 30.300 -0.324 0.000 0.885 760 R HN 0.576 nan 8.270 nan 0.000 0.467 761 Q N -0.461 119.325 119.800 -0.024 0.000 2.165 761 Q HA -0.020 4.328 4.340 0.012 0.000 0.197 761 Q C 2.150 178.157 176.000 0.011 0.000 0.952 761 Q CA 1.716 57.513 55.803 -0.011 0.000 0.848 761 Q CB 0.263 29.006 28.738 0.008 0.000 0.931 761 Q HN 0.276 nan 8.270 nan 0.000 0.470 762 S N -1.814 113.922 115.700 0.059 0.000 2.439 762 S HA 0.210 4.687 4.470 0.012 0.000 0.224 762 S C 1.599 176.183 174.600 -0.028 0.000 1.029 762 S CA 0.530 58.795 58.200 0.107 0.000 0.946 762 S CB 0.159 63.529 63.200 0.283 0.000 0.797 762 S HN 0.453 nan 8.310 nan 0.000 0.504 763 G N 0.437 109.233 108.800 -0.007 0.000 2.141 763 G HA2 -0.192 3.775 3.960 0.012 0.000 0.242 763 G HA3 -0.192 3.775 3.960 0.012 0.000 0.242 763 G C -0.175 174.722 174.900 -0.006 0.000 0.982 763 G CA 0.257 45.336 45.100 -0.035 0.000 0.662 763 G HN 0.471 nan 8.290 nan 0.000 0.527 764 F N -1.073 119.060 119.950 0.306 0.000 2.575 764 F HA 0.728 5.263 4.527 0.012 0.000 0.330 764 F C 0.421 176.263 175.800 0.070 0.000 1.056 764 F CA -1.710 56.425 58.000 0.225 0.000 0.964 764 F CB 1.263 40.345 39.000 0.136 0.000 1.258 764 F HN 0.013 nan 8.300 nan 0.000 0.484 765 L N 1.805 123.093 121.223 0.107 0.000 2.485 765 L HA 0.210 4.557 4.340 0.012 0.000 0.279 765 L C 1.001 177.754 176.870 -0.196 0.000 1.124 765 L CA 0.412 54.990 54.840 -0.436 0.000 0.888 765 L CB 0.130 41.870 42.059 -0.533 0.000 1.217 765 L HN 0.692 nan 8.230 nan 0.000 0.464 766 S N 2.592 118.178 115.700 -0.190 0.000 2.501 766 S HA 0.209 4.686 4.470 0.012 0.000 0.220 766 S C 0.615 175.062 174.600 -0.254 0.000 0.997 766 S CA 0.036 58.159 58.200 -0.127 0.000 0.919 766 S CB 0.030 63.209 63.200 -0.037 0.000 0.778 766 S HN 0.692 nan 8.310 nan 0.000 0.523 767 Q N -0.426 119.132 119.800 -0.403 0.000 2.594 767 Q HA 0.641 4.988 4.340 0.012 0.000 0.278 767 Q C -2.050 173.465 176.000 -0.809 0.000 0.961 767 Q CA -0.264 55.141 55.803 -0.664 0.000 0.844 767 Q CB 1.529 29.737 28.738 -0.883 0.000 1.475 767 Q HN 0.401 nan 8.270 nan 0.000 0.389 768 M N 1.580 120.613 119.600 -0.946 0.000 2.433 768 M HA 0.574 5.062 4.480 0.012 0.000 0.290 768 M C -1.524 174.290 176.300 -0.810 0.000 1.173 768 M CA -0.469 54.356 55.300 -0.790 0.000 0.905 768 M CB 2.174 34.377 32.600 -0.661 0.000 1.692 768 M HN 0.496 nan 8.290 nan 0.000 0.462 769 W N 3.632 124.698 121.300 -0.390 0.000 2.739 769 W HA 0.524 5.192 4.660 0.012 0.000 0.331 769 W C -1.240 175.090 176.519 -0.315 0.000 1.049 769 W CA -0.692 56.484 57.345 -0.282 0.000 1.234 769 W CB 1.777 31.105 29.460 -0.220 0.000 1.404 769 W HN 0.380 nan 8.180 nan 0.000 0.477 770 I N 3.382 123.943 120.570 -0.015 0.000 2.354 770 I HA 0.331 4.509 4.170 0.012 0.000 0.286 770 I C 0.996 177.100 176.117 -0.022 0.000 1.007 770 I CA 0.308 61.562 61.300 -0.076 0.000 1.167 770 I CB 0.495 38.434 38.000 -0.102 0.000 1.320 770 I HN 0.814 nan 8.210 nan 0.000 0.458 771 G N 7.055 115.832 108.800 -0.038 0.000 2.950 771 G HA2 -0.308 3.659 3.960 0.012 0.000 0.299 771 G HA3 -0.308 3.659 3.960 0.012 0.000 0.299 771 G C 0.177 175.062 174.900 -0.025 0.000 1.310 771 G CA 0.609 45.688 45.100 -0.034 0.000 0.994 771 G HN 0.511 nan 8.290 nan 0.000 0.575 772 D N -0.198 120.209 120.400 0.012 0.000 2.704 772 D HA 0.346 4.993 4.640 0.012 0.000 0.291 772 D C -0.131 176.283 176.300 0.189 0.000 1.610 772 D CA -0.090 53.910 54.000 0.000 0.000 0.807 772 D CB 0.781 41.511 40.800 -0.116 0.000 1.233 772 D HN 0.421 nan 8.370 nan 0.000 0.445 773 K N 1.674 122.191 120.400 0.195 0.000 2.211 773 K HA 0.304 4.631 4.320 0.012 0.000 0.275 773 K C -0.364 176.329 176.600 0.155 0.000 1.024 773 K CA -0.488 55.889 56.287 0.149 0.000 0.887 773 K CB 0.614 33.138 32.500 0.040 0.000 1.084 773 K HN -0.218 nan 8.250 nan 0.000 0.463 774 K N 3.566 124.011 120.400 0.076 0.000 2.401 774 K HA 0.025 4.352 4.320 0.012 0.000 0.278 774 K C 0.431 176.912 176.600 -0.198 0.000 1.018 774 K CA -0.334 55.810 56.287 -0.239 0.000 0.981 774 K CB 0.717 33.111 32.500 -0.178 0.000 0.933 774 K HN 0.592 nan 8.250 nan 0.000 0.477 775 Q N 1.226 120.851 119.800 -0.291 0.000 2.392 775 Q HA 0.174 4.522 4.340 0.012 0.000 0.219 775 Q C 0.413 176.355 176.000 -0.097 0.000 0.895 775 Q CA 0.589 56.331 55.803 -0.102 0.000 0.929 775 Q CB 0.377 29.094 28.738 -0.034 0.000 1.077 775 Q HN 0.516 nan 8.270 nan 0.000 0.532 776 L N 0.273 121.362 121.223 -0.222 0.000 2.333 776 L HA 0.396 4.743 4.340 0.012 0.000 0.269 776 L C 0.965 177.715 176.870 -0.199 0.000 1.010 776 L CA -0.411 54.311 54.840 -0.197 0.000 0.818 776 L CB 1.563 43.487 42.059 -0.226 0.000 1.306 776 L HN -0.092 nan 8.230 nan 0.000 0.430 777 L N -0.016 121.079 121.223 -0.215 0.000 2.609 777 L HA 0.254 4.601 4.340 0.012 0.000 0.230 777 L C 0.041 176.796 176.870 -0.191 0.000 1.064 777 L CA 0.599 55.321 54.840 -0.197 0.000 0.873 777 L CB 0.811 42.729 42.059 -0.234 0.000 1.139 777 L HN 0.624 nan 8.230 nan 0.000 0.490 778 T N 0.109 114.515 114.554 -0.248 0.000 2.912 778 T HA 0.405 4.763 4.350 0.012 0.000 0.299 778 T C -2.571 172.045 174.700 -0.139 0.000 1.052 778 T CA -1.161 60.834 62.100 -0.174 0.000 0.996 778 T CB 2.526 71.254 68.868 -0.233 0.000 1.070 778 T HN -0.273 nan 8.240 nan 0.000 0.465 779 P HA 0.169 nan 4.420 nan 0.000 0.270 779 P C -0.691 176.569 177.300 -0.067 0.000 1.223 779 P CA -0.715 62.347 63.100 -0.063 0.000 0.785 779 P CB 0.429 32.126 31.700 -0.004 0.000 0.923 780 L N 3.636 124.849 121.223 -0.017 0.000 2.342 780 L HA 0.241 4.588 4.340 0.012 0.000 0.285 780 L C 0.064 176.885 176.870 -0.083 0.000 1.095 780 L CA 0.651 55.516 54.840 0.041 0.000 0.843 780 L CB -0.734 41.445 42.059 0.200 0.000 1.201 780 L HN 0.289 nan 8.230 nan 0.000 0.445 781 R N 2.703 123.052 120.500 -0.252 0.000 2.888 781 R HA 0.504 4.852 4.340 0.012 0.000 0.266 781 R C -0.967 175.147 176.300 -0.310 0.000 1.020 781 R CA -1.043 54.686 56.100 -0.618 0.000 0.963 781 R CB 1.158 30.965 30.300 -0.822 0.000 1.197 781 R HN 0.503 nan 8.270 nan 0.000 0.481 782 D N 1.066 121.321 120.400 -0.242 0.000 2.372 782 D HA 0.091 4.738 4.640 0.012 0.000 0.243 782 D C -0.539 175.355 176.300 -0.676 0.000 1.121 782 D CA 0.266 54.013 54.000 -0.422 0.000 0.898 782 D CB 0.758 41.258 40.800 -0.499 0.000 1.202 782 D HN 0.199 nan 8.370 nan 0.000 0.428 783 Q N 1.176 120.401 119.800 -0.958 0.000 2.289 783 Q HA 0.335 4.682 4.340 0.012 0.000 0.270 783 Q C -1.279 174.036 176.000 -1.141 0.000 1.038 783 Q CA -0.580 54.729 55.803 -0.823 0.000 0.812 783 Q CB 0.835 29.299 28.738 -0.457 0.000 1.300 783 Q HN 0.494 nan 8.270 nan 0.000 0.427 784 F N 0.531 120.094 119.950 -0.645 0.000 2.729 784 F HA 0.198 4.732 4.527 0.012 0.000 0.315 784 F C 0.545 175.904 175.800 -0.734 0.000 1.102 784 F CA -0.086 57.423 58.000 -0.819 0.000 1.204 784 F CB 1.370 39.558 39.000 -1.354 0.000 1.052 784 F HN 0.422 nan 8.300 nan 0.000 0.551 785 T N -0.769 113.491 114.554 -0.491 0.000 2.907 785 T HA 0.821 5.178 4.350 0.012 0.000 0.290 785 T C -0.538 173.928 174.700 -0.390 0.000 1.066 785 T CA -0.978 60.767 62.100 -0.593 0.000 1.012 785 T CB 2.841 71.326 68.868 -0.639 0.000 1.184 785 T HN 0.249 nan 8.240 nan 0.000 0.522 786 R N -0.255 120.060 120.500 -0.309 0.000 2.740 786 R HA 0.748 5.096 4.340 0.012 0.000 0.273 786 R C -0.864 175.476 176.300 0.067 0.000 0.998 786 R CA -1.208 54.827 56.100 -0.108 0.000 0.900 786 R CB 1.467 31.703 30.300 -0.107 0.000 1.223 786 R HN 0.851 nan 8.270 nan 0.000 0.466 787 A N 3.942 126.788 122.820 0.044 0.000 2.515 787 A HA 0.239 4.566 4.320 0.012 0.000 0.263 787 A C -1.865 175.779 177.584 0.100 0.000 1.096 787 A CA -1.123 50.940 52.037 0.043 0.000 0.769 787 A CB -0.488 18.487 19.000 -0.042 0.000 1.040 787 A HN 0.595 nan 8.150 nan 0.000 0.505 788 P HA 0.021 nan 4.420 nan 0.000 0.260 788 P C -0.245 177.177 177.300 0.203 0.000 1.172 788 P CA 0.585 63.850 63.100 0.274 0.000 0.760 788 P CB 0.347 32.239 31.700 0.319 0.000 0.773 789 L N 2.855 124.175 121.223 0.161 0.000 2.475 789 L HA 0.156 4.503 4.340 0.012 0.000 0.253 789 L C 1.921 178.866 176.870 0.124 0.000 1.198 789 L CA -0.461 54.420 54.840 0.068 0.000 0.814 789 L CB -0.048 41.982 42.059 -0.049 0.000 1.134 789 L HN 0.299 nan 8.230 nan 0.000 0.478 790 D N 0.224 120.670 120.400 0.076 0.000 2.178 790 D HA -0.143 4.504 4.640 0.012 0.000 0.201 790 D C 1.577 177.904 176.300 0.045 0.000 0.980 790 D CA 1.243 55.271 54.000 0.047 0.000 0.842 790 D CB 0.041 40.836 40.800 -0.008 0.000 0.948 790 D HN 0.473 nan 8.370 nan 0.000 0.472 791 N N 1.110 119.823 118.700 0.021 0.000 2.244 791 N HA -0.109 4.638 4.740 0.012 0.000 0.183 791 N C 1.226 176.775 175.510 0.065 0.000 1.016 791 N CA 0.724 53.788 53.050 0.024 0.000 0.866 791 N CB -0.187 38.292 38.487 -0.014 0.000 0.980 791 N HN 0.232 nan 8.380 nan 0.000 0.430 792 D N 0.607 121.063 120.400 0.094 0.000 2.144 792 D HA -0.005 4.642 4.640 0.012 0.000 0.200 792 D C 2.040 178.403 176.300 0.106 0.000 0.978 792 D CA 0.493 54.575 54.000 0.136 0.000 0.833 792 D CB -0.019 40.942 40.800 0.268 0.000 0.961 792 D HN 0.315 nan 8.370 nan 0.000 0.470 793 I N 0.393 121.022 120.570 0.099 0.000 2.333 793 I HA 0.002 4.179 4.170 0.012 0.000 0.246 793 I C 1.805 177.931 176.117 0.016 0.000 1.106 793 I CA 0.730 62.065 61.300 0.059 0.000 1.411 793 I CB -0.475 37.551 38.000 0.044 0.000 1.082 793 I HN 0.076 nan 8.210 nan 0.000 0.420 794 G N 1.119 109.936 108.800 0.028 0.000 2.547 794 G HA2 -0.320 3.647 3.960 0.012 0.000 0.271 794 G HA3 -0.320 3.647 3.960 0.012 0.000 0.271 794 G C 0.460 175.360 174.900 -0.001 0.000 1.209 794 G CA 0.437 45.555 45.100 0.031 0.000 0.959 794 G HN 0.596 nan 8.290 nan 0.000 0.563 795 V N -2.129 117.765 119.914 -0.034 0.000 3.110 795 V HA 0.672 4.799 4.120 0.012 0.000 0.368 795 V C 0.920 176.949 176.094 -0.108 0.000 1.332 795 V CA 0.943 63.167 62.300 -0.125 0.000 1.287 795 V CB 0.197 31.902 31.823 -0.196 0.000 1.277 795 V HN 1.417 nan 8.190 nan 0.000 0.502 796 S N 1.699 117.356 115.700 -0.071 0.000 2.474 796 S HA 0.378 4.856 4.470 0.012 0.000 0.276 796 S C 0.026 174.594 174.600 -0.053 0.000 1.227 796 S CA -0.308 57.857 58.200 -0.058 0.000 1.050 796 S CB 0.191 63.367 63.200 -0.039 0.000 0.939 796 S HN 0.806 nan 8.310 nan 0.000 0.490 797 E N 2.743 122.911 120.200 -0.053 0.000 2.235 797 E HA 0.555 4.912 4.350 0.012 0.000 0.265 797 E C 0.870 177.458 176.600 -0.019 0.000 0.940 797 E CA -0.787 55.589 56.400 -0.039 0.000 0.819 797 E CB 1.225 30.894 29.700 -0.051 0.000 1.206 797 E HN 0.600 nan 8.360 nan 0.000 0.409 798 A N 1.004 123.822 122.820 -0.003 0.000 1.933 798 A HA -0.175 4.153 4.320 0.012 0.000 0.218 798 A C 2.046 179.630 177.584 -0.000 0.000 1.175 798 A CA 2.249 54.289 52.037 0.006 0.000 0.628 798 A CB -0.886 18.126 19.000 0.019 0.000 0.814 798 A HN 0.699 nan 8.150 nan 0.000 0.444 799 T N -4.301 110.250 114.554 -0.005 0.000 3.065 799 T HA 0.221 4.578 4.350 0.012 0.000 0.252 799 T C 0.917 175.604 174.700 -0.022 0.000 1.099 799 T CA 0.493 62.587 62.100 -0.010 0.000 1.063 799 T CB -0.008 68.856 68.868 -0.007 0.000 0.948 799 T HN 0.319 nan 8.240 nan 0.000 0.506 800 R N 1.225 121.706 120.500 -0.032 0.000 2.644 800 R HA 0.354 4.701 4.340 0.012 0.000 0.271 800 R C -0.948 175.323 176.300 -0.048 0.000 1.687 800 R CA -0.605 55.468 56.100 -0.046 0.000 1.655 800 R CB 0.140 30.402 30.300 -0.063 0.000 1.285 800 R HN 0.211 nan 8.270 nan 0.000 0.643 801 I N 1.862 122.410 120.570 -0.037 0.000 2.618 801 I HA -0.018 4.159 4.170 0.012 0.000 0.284 801 I C 0.351 176.438 176.117 -0.050 0.000 1.146 801 I CA 0.373 61.651 61.300 -0.037 0.000 1.425 801 I CB 0.750 38.735 38.000 -0.025 0.000 1.383 801 I HN 0.458 nan 8.210 nan 0.000 0.562 802 D N 9.393 129.759 120.400 -0.058 0.000 2.472 802 D HA 0.280 4.927 4.640 0.012 0.000 0.234 802 D C -1.451 174.800 176.300 -0.083 0.000 1.088 802 D CA -2.169 51.789 54.000 -0.070 0.000 0.882 802 D CB 1.428 42.184 40.800 -0.073 0.000 1.037 802 D HN 0.213 nan 8.370 nan 0.000 0.520 803 P HA -0.188 nan 4.420 nan 0.000 0.220 803 P C 0.893 178.100 177.300 -0.155 0.000 1.144 803 P CA 0.798 63.837 63.100 -0.101 0.000 0.800 803 P CB 0.462 32.112 31.700 -0.084 0.000 0.772 804 N N 0.204 118.806 118.700 -0.163 0.000 2.354 804 N HA 0.014 4.761 4.740 0.012 0.000 0.179 804 N C 0.598 175.916 175.510 -0.321 0.000 1.021 804 N CA 0.325 53.236 53.050 -0.232 0.000 0.887 804 N CB -0.601 37.779 38.487 -0.179 0.000 0.974 804 N HN 0.008 nan 8.380 nan 0.000 0.437 805 A N -0.459 122.219 122.820 -0.236 0.000 2.520 805 A HA 0.019 4.346 4.320 0.012 0.000 0.235 805 A C 0.730 178.106 177.584 -0.346 0.000 1.065 805 A CA -0.205 51.692 52.037 -0.233 0.000 0.764 805 A CB -0.243 18.691 19.000 -0.110 0.000 1.002 805 A HN 0.545 nan 8.150 nan 0.000 0.502 806 W N 1.622 122.667 121.300 -0.425 0.000 2.335 806 W HA -0.174 4.493 4.660 0.012 0.000 0.311 806 W C 2.250 178.177 176.519 -0.987 0.000 1.213 806 W CA 1.721 58.541 57.345 -0.876 0.000 1.274 806 W CB -0.392 28.420 29.460 -1.079 0.000 1.148 806 W HN 0.570 nan 8.180 nan 0.000 0.498 807 V N 0.854 120.648 119.914 -0.199 0.000 2.392 807 V HA -0.274 3.853 4.120 0.012 0.000 0.249 807 V C 2.162 178.359 176.094 0.172 0.000 1.059 807 V CA 2.165 64.591 62.300 0.210 0.000 1.051 807 V CB -0.345 31.629 31.823 0.252 0.000 0.658 807 V HN 0.079 nan 8.190 nan 0.000 0.455 808 E N 0.019 120.217 120.200 -0.003 0.000 2.072 808 E HA -0.173 4.185 4.350 0.012 0.000 0.191 808 E C 2.351 178.926 176.600 -0.041 0.000 0.985 808 E CA 1.192 57.586 56.400 -0.009 0.000 0.801 808 E CB -0.355 29.308 29.700 -0.062 0.000 0.750 808 E HN 0.617 nan 8.360 nan 0.000 0.452 809 R N -0.197 120.200 120.500 -0.172 0.000 2.081 809 R HA -0.123 4.224 4.340 0.012 0.000 0.235 809 R C 2.308 178.550 176.300 -0.096 0.000 1.131 809 R CA 1.322 57.297 56.100 -0.207 0.000 0.960 809 R CB -0.181 29.881 30.300 -0.396 0.000 0.856 809 R HN 0.253 nan 8.270 nan 0.000 0.436 810 W N 1.371 122.637 121.300 -0.057 0.000 2.355 810 W HA -0.077 4.591 4.660 0.012 0.000 0.309 810 W C 1.941 178.416 176.519 -0.073 0.000 1.206 810 W CA 0.731 57.953 57.345 -0.205 0.000 1.284 810 W CB -0.667 28.783 29.460 -0.017 0.000 1.145 810 W HN 0.100 nan 8.180 nan 0.000 0.502 811 K N 0.161 120.785 120.400 0.373 0.000 2.026 811 K HA -0.100 4.228 4.320 0.012 0.000 0.208 811 K C 2.291 178.949 176.600 0.097 0.000 1.048 811 K CA 1.840 58.304 56.287 0.295 0.000 0.929 811 K CB -0.630 32.004 32.500 0.224 0.000 0.713 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.143 123.989 122.820 0.044 0.000 1.972 812 A HA -0.103 4.224 4.320 0.012 0.000 0.219 812 A C 2.199 179.762 177.584 -0.036 0.000 1.169 812 A CA 1.847 53.888 52.037 0.008 0.000 0.635 812 A CB -0.544 18.450 19.000 -0.010 0.000 0.810 812 A HN 0.350 nan 8.150 nan 0.000 0.446 813 A N -1.994 120.772 122.820 -0.090 0.000 2.208 813 A HA 0.410 4.737 4.320 0.012 0.000 0.209 813 A C 1.801 179.245 177.584 -0.234 0.000 1.161 813 A CA 1.200 53.174 52.037 -0.104 0.000 0.782 813 A CB -0.810 18.095 19.000 -0.157 0.000 0.816 813 A HN 1.879 nan 8.150 nan 0.000 0.477 814 G N -1.346 107.232 108.800 -0.370 0.000 2.136 814 G HA2 -0.308 3.660 3.960 0.012 0.000 0.242 814 G HA3 -0.308 3.660 3.960 0.012 0.000 0.242 814 G C 0.559 175.453 174.900 -0.010 0.000 0.989 814 G CA 0.675 45.409 45.100 -0.611 0.000 0.682 814 G HN 0.753 nan 8.290 nan 0.000 0.522 815 H N -1.627 117.414 119.070 -0.049 0.000 2.422 815 H HA -0.100 4.464 4.556 0.012 0.000 0.298 815 H C 2.091 177.378 175.328 -0.070 0.000 1.098 815 H CA 1.595 57.626 56.048 -0.030 0.000 1.315 815 H CB 0.101 29.774 29.762 -0.149 0.000 1.382 815 H HN 0.606 nan 8.280 nan 0.000 0.523 816 Y N 0.190 120.613 120.300 0.204 0.000 2.544 816 Y HA -0.049 4.508 4.550 0.012 0.000 0.286 816 Y C 1.941 177.929 175.900 0.147 0.000 1.141 816 Y CA 0.321 58.504 58.100 0.138 0.000 1.299 816 Y CB 0.450 38.976 38.460 0.110 0.000 1.030 816 Y HN 0.187 nan 8.280 nan 0.000 0.543 817 Q N -0.276 119.697 119.800 0.290 0.000 2.317 817 Q HA 0.323 4.670 4.340 0.012 0.000 0.220 817 Q C 0.879 177.073 176.000 0.323 0.000 0.873 817 Q CA 0.264 56.236 55.803 0.281 0.000 0.936 817 Q CB 0.015 28.927 28.738 0.290 0.000 1.105 817 Q HN 0.256 nan 8.270 nan 0.000 0.520 818 A N 2.325 125.353 122.820 0.347 0.000 2.584 818 A HA -0.010 4.317 4.320 0.012 0.000 0.239 818 A C -0.094 177.779 177.584 0.481 0.000 1.043 818 A CA 0.494 52.794 52.037 0.439 0.000 0.756 818 A CB -0.025 19.289 19.000 0.523 0.000 0.963 818 A HN 0.132 nan 8.150 nan 0.000 0.511 819 E N 1.410 121.810 120.200 0.335 0.000 2.166 819 E HA 0.496 4.853 4.350 0.012 0.000 0.275 819 E C -0.095 176.480 176.600 -0.040 0.000 0.941 819 E CA -0.596 55.925 56.400 0.201 0.000 0.784 819 E CB 1.752 31.533 29.700 0.135 0.000 1.115 819 E HN 0.779 nan 8.360 nan 0.000 0.399 820 A N 2.346 125.047 122.820 -0.199 0.000 2.454 820 A HA 0.491 4.818 4.320 0.012 0.000 0.260 820 A C -0.182 177.251 177.584 -0.252 0.000 1.106 820 A CA -0.199 51.428 52.037 -0.683 0.000 0.780 820 A CB 0.309 19.093 19.000 -0.361 0.000 1.044 820 A HN 0.609 nan 8.150 nan 0.000 0.498 821 A N 2.941 125.593 122.820 -0.280 0.000 2.291 821 A HA 0.568 4.895 4.320 0.012 0.000 0.311 821 A C -0.418 177.071 177.584 -0.159 0.000 1.224 821 A CA -0.570 51.389 52.037 -0.130 0.000 0.821 821 A CB 0.444 19.389 19.000 -0.092 0.000 1.172 821 A HN 1.227 nan 8.150 nan 0.000 0.494 822 L N 3.212 124.330 121.223 -0.174 0.000 2.462 822 L HA 0.274 4.621 4.340 0.012 0.000 0.272 822 L C 0.419 177.138 176.870 -0.251 0.000 1.166 822 L CA 0.492 55.113 54.840 -0.366 0.000 0.880 822 L CB 0.208 42.091 42.059 -0.294 0.000 1.142 822 L HN 0.776 nan 8.230 nan 0.000 0.473 823 L N 3.255 124.312 121.223 -0.278 0.000 2.500 823 L HA 0.348 4.696 4.340 0.012 0.000 0.219 823 L C 0.501 177.298 176.870 -0.122 0.000 1.057 823 L CA 0.018 54.771 54.840 -0.144 0.000 0.854 823 L CB 0.104 42.110 42.059 -0.088 0.000 1.078 823 L HN 0.695 nan 8.230 nan 0.000 0.480 824 Q N -0.559 119.141 119.800 -0.167 0.000 2.472 824 Q HA 0.384 4.731 4.340 0.012 0.000 0.281 824 Q C -2.026 173.915 176.000 -0.099 0.000 0.997 824 Q CA -0.506 55.240 55.803 -0.096 0.000 0.828 824 Q CB 3.276 31.984 28.738 -0.050 0.000 1.443 824 Q HN 0.060 nan 8.270 nan 0.000 0.390 825 C N 2.879 122.169 119.300 -0.016 0.000 3.146 825 C HA 0.563 5.030 4.460 0.012 0.000 0.382 825 C C -0.827 174.265 174.990 0.169 0.000 1.060 825 C CA 0.288 59.343 59.018 0.061 0.000 1.304 825 C CB 0.071 27.855 27.740 0.073 0.000 1.699 825 C HN 0.830 nan 8.230 nan 0.000 0.532 826 T N 1.860 116.428 114.554 0.022 0.000 2.926 826 T HA 0.929 5.286 4.350 0.012 0.000 0.289 826 T C -0.411 174.016 174.700 -0.456 0.000 1.054 826 T CA -0.223 61.821 62.100 -0.093 0.000 1.015 826 T CB 2.052 70.874 68.868 -0.076 0.000 1.167 826 T HN 1.799 nan 8.240 nan 0.000 0.526 827 A N 1.343 123.765 122.820 -0.665 0.000 2.408 827 A HA 0.706 5.033 4.320 0.012 0.000 0.295 827 A C -1.541 175.790 177.584 -0.421 0.000 1.040 827 A CA -0.829 50.745 52.037 -0.771 0.000 0.707 827 A CB 1.075 19.191 19.000 -1.473 0.000 1.235 827 A HN 0.870 nan 8.150 nan 0.000 0.418 828 D N 0.734 120.957 120.400 -0.295 0.000 2.457 828 D HA 0.601 5.248 4.640 0.012 0.000 0.240 828 D C -0.610 175.594 176.300 -0.160 0.000 1.041 828 D CA -0.132 53.757 54.000 -0.185 0.000 0.861 828 D CB 1.869 42.589 40.800 -0.132 0.000 1.394 828 D HN 0.306 nan 8.370 nan 0.000 0.473 829 T N 1.905 116.389 114.554 -0.117 0.000 2.744 829 T HA 0.436 4.793 4.350 0.012 0.000 0.291 829 T C 0.041 174.703 174.700 -0.063 0.000 0.957 829 T CA -0.492 61.553 62.100 -0.090 0.000 1.002 829 T CB 0.260 69.086 68.868 -0.071 0.000 0.919 829 T HN 0.107 nan 8.240 nan 0.000 0.468 830 L N 1.692 122.880 121.223 -0.058 0.000 2.397 830 L HA 0.577 4.924 4.340 0.012 0.000 0.266 830 L C 2.042 178.896 176.870 -0.027 0.000 1.040 830 L CA -1.112 53.703 54.840 -0.042 0.000 0.800 830 L CB 0.228 42.260 42.059 -0.045 0.000 1.324 830 L HN 0.669 nan 8.230 nan 0.000 0.469 831 A N 0.699 123.506 122.820 -0.021 0.000 1.873 831 A HA -0.198 4.129 4.320 0.012 0.000 0.218 831 A C 1.138 178.717 177.584 -0.009 0.000 1.193 831 A CA 2.282 54.311 52.037 -0.013 0.000 0.629 831 A CB -0.509 18.483 19.000 -0.014 0.000 0.826 831 A HN 0.915 nan 8.150 nan 0.000 0.447 832 D N -2.360 118.033 120.400 -0.012 0.000 2.720 832 D HA 0.557 5.204 4.640 0.012 0.000 0.285 832 D C -0.157 176.136 176.300 -0.011 0.000 1.359 832 D CA 0.656 54.653 54.000 -0.005 0.000 0.818 832 D CB -0.063 40.734 40.800 -0.006 0.000 1.108 832 D HN 0.558 nan 8.370 nan 0.000 0.474 833 A N -0.563 122.241 122.820 -0.026 0.000 2.566 833 A HA 0.573 4.901 4.320 0.012 0.000 0.290 833 A C -1.820 175.721 177.584 -0.072 0.000 1.071 833 A CA -0.689 51.319 52.037 -0.050 0.000 0.658 833 A CB 1.545 20.512 19.000 -0.056 0.000 1.285 833 A HN 0.021 nan 8.150 nan 0.000 0.427 834 V N 0.796 120.645 119.914 -0.107 0.000 2.448 834 V HA 0.601 4.728 4.120 0.012 0.000 0.295 834 V C -0.900 175.094 176.094 -0.168 0.000 1.025 834 V CA -0.402 61.814 62.300 -0.140 0.000 0.859 834 V CB 1.315 33.052 31.823 -0.145 0.000 0.988 834 V HN 0.843 nan 8.190 nan 0.000 0.431 835 L N 6.886 128.002 121.223 -0.178 0.000 2.298 835 L HA 0.694 5.041 4.340 0.012 0.000 0.284 835 L C -0.833 175.887 176.870 -0.251 0.000 1.013 835 L CA 0.117 54.855 54.840 -0.170 0.000 0.824 835 L CB 1.146 43.133 42.059 -0.119 0.000 1.221 835 L HN 0.509 nan 8.230 nan 0.000 0.418 836 I N 4.189 124.594 120.570 -0.276 0.000 2.354 836 I HA 0.506 4.684 4.170 0.012 0.000 0.292 836 I C 0.145 176.188 176.117 -0.122 0.000 0.989 836 I CA 0.057 61.122 61.300 -0.391 0.000 1.188 836 I CB 1.849 39.317 38.000 -0.886 0.000 1.342 836 I HN 0.532 nan 8.210 nan 0.000 0.457 837 T N 4.509 118.996 114.554 -0.112 0.000 2.807 837 T HA 0.717 5.074 4.350 0.012 0.000 0.279 837 T C -0.041 174.678 174.700 0.031 0.000 0.993 837 T CA -0.698 61.398 62.100 -0.006 0.000 0.970 837 T CB 1.351 70.200 68.868 -0.033 0.000 0.950 837 T HN 0.761 nan 8.240 nan 0.000 0.441 838 T N -0.590 114.031 114.554 0.111 0.000 2.887 838 T HA 0.892 5.249 4.350 0.012 0.000 0.292 838 T C -1.249 173.504 174.700 0.088 0.000 1.087 838 T CA -1.123 61.034 62.100 0.095 0.000 1.009 838 T CB 2.055 71.062 68.868 0.232 0.000 1.203 838 T HN 0.829 nan 8.240 nan 0.000 0.518 839 A N 1.348 124.145 122.820 -0.038 0.000 2.480 839 A HA 0.696 5.023 4.320 0.012 0.000 0.289 839 A C -1.507 175.970 177.584 -0.179 0.000 1.044 839 A CA -0.777 51.272 52.037 0.021 0.000 0.761 839 A CB 0.653 19.662 19.000 0.015 0.000 1.289 839 A HN 0.991 nan 8.150 nan 0.000 0.401 840 H N 0.288 119.399 119.070 0.069 0.000 2.797 840 H HA 0.851 5.414 4.556 0.012 0.000 0.372 840 H C -0.004 175.329 175.328 0.008 0.000 1.168 840 H CA 0.203 56.193 56.048 -0.098 0.000 1.163 840 H CB 2.159 31.718 29.762 -0.339 0.000 1.778 840 H HN 1.049 nan 8.280 nan 0.000 0.551 841 A N 1.500 124.307 122.820 -0.021 0.000 2.359 841 A HA 0.380 4.708 4.320 0.012 0.000 0.303 841 A C -1.482 176.103 177.584 0.001 0.000 1.066 841 A CA -0.724 51.390 52.037 0.128 0.000 0.730 841 A CB 1.138 20.187 19.000 0.081 0.000 1.211 841 A HN 0.582 nan 8.150 nan 0.000 0.439 842 W N 2.567 123.981 121.300 0.191 0.000 2.316 842 W HA 0.382 5.049 4.660 0.012 0.000 0.308 842 W C -0.275 176.270 176.519 0.043 0.000 1.106 842 W CA -0.105 57.347 57.345 0.179 0.000 1.262 842 W CB 1.364 31.004 29.460 0.299 0.000 1.233 842 W HN 0.745 nan 8.180 nan 0.000 0.447 843 Q N 1.506 121.422 119.800 0.193 0.000 2.351 843 Q HA 0.400 4.747 4.340 0.012 0.000 0.273 843 Q C -0.658 175.462 176.000 0.200 0.000 1.077 843 Q CA -0.797 55.086 55.803 0.134 0.000 0.843 843 Q CB 3.314 32.095 28.738 0.072 0.000 1.367 843 Q HN 0.351 nan 8.270 nan 0.000 0.449 844 H N 1.631 120.737 119.070 0.060 0.000 3.240 844 H HA 0.088 4.651 4.556 0.012 0.000 0.326 844 H C -0.992 174.368 175.328 0.053 0.000 1.015 844 H CA -0.094 55.999 56.048 0.075 0.000 1.504 844 H CB 0.834 30.652 29.762 0.095 0.000 1.754 844 H HN 0.842 nan 8.280 nan 0.000 0.505 845 Q N 3.358 122.970 119.800 -0.313 0.000 2.463 845 Q HA -0.225 4.122 4.340 0.012 0.000 0.299 845 Q C 0.927 176.880 176.000 -0.078 0.000 1.353 845 Q CA 1.027 56.694 55.803 -0.227 0.000 0.828 845 Q CB -1.459 27.090 28.738 -0.314 0.000 1.157 845 Q HN 1.186 nan 8.270 nan 0.000 0.436 846 G N -0.410 108.368 108.800 -0.036 0.000 2.205 846 G HA2 -0.367 3.600 3.960 0.012 0.000 0.261 846 G HA3 -0.367 3.600 3.960 0.012 0.000 0.261 846 G C 0.046 174.953 174.900 0.011 0.000 0.980 846 G CA 0.559 45.655 45.100 -0.007 0.000 0.632 846 G HN 0.308 nan 8.290 nan 0.000 0.533 847 K N 1.903 122.320 120.400 0.027 0.000 2.253 847 K HA 0.604 4.931 4.320 0.012 0.000 0.277 847 K C 0.152 176.769 176.600 0.029 0.000 1.053 847 K CA -0.179 56.130 56.287 0.036 0.000 0.892 847 K CB 0.595 33.132 32.500 0.061 0.000 1.102 847 K HN -0.003 nan 8.250 nan 0.000 0.469 848 T N 6.718 121.278 114.554 0.010 0.000 2.743 848 T HA 0.148 4.505 4.350 0.012 0.000 0.290 848 T C 1.249 175.895 174.700 -0.091 0.000 0.908 848 T CA -0.192 61.909 62.100 0.001 0.000 1.092 848 T CB 0.059 68.943 68.868 0.027 0.000 0.882 848 T HN 0.524 nan 8.240 nan 0.000 0.531 849 L N 2.573 123.657 121.223 -0.231 0.000 2.049 849 L HA 0.226 4.573 4.340 0.012 0.000 0.203 849 L C 0.031 176.359 176.870 -0.904 0.000 1.074 849 L CA 1.086 55.496 54.840 -0.717 0.000 0.749 849 L CB -0.069 41.275 42.059 -1.192 0.000 0.907 849 L HN 0.478 nan 8.230 nan 0.000 0.439 850 F N -1.369 118.550 119.950 -0.052 0.000 2.613 850 F HA 0.598 5.133 4.527 0.012 0.000 0.314 850 F C -0.396 175.524 175.800 0.201 0.000 1.075 850 F CA -1.039 56.877 58.000 -0.140 0.000 0.945 850 F CB 1.568 40.066 39.000 -0.836 0.000 1.310 850 F HN -0.318 nan 8.300 nan 0.000 0.467 851 I N 1.295 122.105 120.570 0.400 0.000 2.478 851 I HA 0.362 4.539 4.170 0.012 0.000 0.287 851 I C -0.919 175.480 176.117 0.470 0.000 1.042 851 I CA -0.496 61.059 61.300 0.425 0.000 1.067 851 I CB 2.167 40.320 38.000 0.255 0.000 1.233 851 I HN 0.557 nan 8.210 nan 0.000 0.431 852 S N 6.949 123.032 115.700 0.638 0.000 2.498 852 S HA 0.584 5.061 4.470 0.012 0.000 0.317 852 S C -0.705 174.146 174.600 0.419 0.000 1.090 852 S CA -0.662 57.877 58.200 0.565 0.000 1.089 852 S CB 0.759 64.428 63.200 0.781 0.000 0.997 852 S HN 0.558 nan 8.310 nan 0.000 0.470 853 R N 3.646 124.314 120.500 0.281 0.000 2.393 853 R HA 0.524 4.871 4.340 0.012 0.000 0.315 853 R C -0.768 175.613 176.300 0.135 0.000 0.952 853 R CA -0.734 55.483 56.100 0.196 0.000 0.842 853 R CB 1.803 32.189 30.300 0.144 0.000 1.163 853 R HN 0.566 nan 8.270 nan 0.000 0.450 854 K N 0.896 121.369 120.400 0.121 0.000 2.444 854 K HA 0.510 4.837 4.320 0.012 0.000 0.252 854 K C -0.678 175.905 176.600 -0.028 0.000 0.993 854 K CA -0.958 55.321 56.287 -0.012 0.000 0.847 854 K CB 2.500 34.953 32.500 -0.079 0.000 1.340 854 K HN 0.589 nan 8.250 nan 0.000 0.446 855 T N -1.390 113.069 114.554 -0.159 0.000 2.916 855 T HA 0.505 4.862 4.350 0.012 0.000 0.298 855 T C -1.325 173.265 174.700 -0.184 0.000 1.031 855 T CA -0.773 61.282 62.100 -0.076 0.000 0.993 855 T CB 0.410 69.253 68.868 -0.041 0.000 1.045 855 T HN 0.401 nan 8.240 nan 0.000 0.454 856 Y N 1.234 121.492 120.300 -0.069 0.000 2.328 856 Y HA 0.609 5.166 4.550 0.012 0.000 0.333 856 Y C 0.520 176.344 175.900 -0.126 0.000 0.958 856 Y CA -1.112 56.959 58.100 -0.048 0.000 1.167 856 Y CB 1.734 40.192 38.460 -0.003 0.000 1.151 856 Y HN 0.664 nan 8.280 nan 0.000 0.470 857 R N 4.593 125.107 120.500 0.024 0.000 2.288 857 R HA 0.616 4.964 4.340 0.012 0.000 0.326 857 R C -1.536 174.702 176.300 -0.104 0.000 0.959 857 R CA -0.371 55.699 56.100 -0.050 0.000 0.834 857 R CB 0.461 30.741 30.300 -0.033 0.000 1.157 857 R HN 0.772 nan 8.270 nan 0.000 0.470 858 I N 5.314 125.764 120.570 -0.199 0.000 2.328 858 I HA 0.184 4.361 4.170 0.012 0.000 0.287 858 I C -0.234 175.763 176.117 -0.200 0.000 1.012 858 I CA -0.800 60.296 61.300 -0.340 0.000 1.195 858 I CB 1.343 38.927 38.000 -0.693 0.000 1.350 858 I HN 0.693 nan 8.210 nan 0.000 0.464 859 D N 4.227 124.556 120.400 -0.118 0.000 2.529 859 D HA 0.250 4.897 4.640 0.012 0.000 0.273 859 D C 1.359 177.661 176.300 0.003 0.000 1.197 859 D CA -0.677 53.297 54.000 -0.042 0.000 1.070 859 D CB 0.722 41.516 40.800 -0.010 0.000 1.134 859 D HN 0.446 nan 8.370 nan 0.000 0.590 860 G N -1.410 107.409 108.800 0.032 0.000 2.559 860 G HA2 -0.169 3.798 3.960 0.012 0.000 0.216 860 G HA3 -0.169 3.798 3.960 0.012 0.000 0.216 860 G C 1.185 176.140 174.900 0.091 0.000 1.126 860 G CA 0.896 46.038 45.100 0.069 0.000 0.778 860 G HN 0.530 nan 8.290 nan 0.000 0.543 861 S N -0.970 114.778 115.700 0.081 0.000 2.562 861 S HA 0.362 4.839 4.470 0.012 0.000 0.221 861 S C 1.858 176.535 174.600 0.128 0.000 0.975 861 S CA 0.938 59.195 58.200 0.094 0.000 0.918 861 S CB 0.023 63.270 63.200 0.078 0.000 0.772 861 S HN 1.411 nan 8.310 nan 0.000 0.531 862 G N 0.439 109.335 108.800 0.159 0.000 2.175 862 G HA2 -0.230 3.737 3.960 0.012 0.000 0.244 862 G HA3 -0.230 3.737 3.960 0.012 0.000 0.244 862 G C -0.177 174.884 174.900 0.267 0.000 0.982 862 G CA -0.016 45.258 45.100 0.290 0.000 0.641 862 G HN 0.592 nan 8.290 nan 0.000 0.527 863 Q N -0.171 119.710 119.800 0.134 0.000 2.261 863 Q HA 0.599 4.946 4.340 0.012 0.000 0.252 863 Q C 0.242 176.259 176.000 0.028 0.000 0.915 863 Q CA -0.121 55.755 55.803 0.122 0.000 0.915 863 Q CB 1.402 30.201 28.738 0.102 0.000 1.204 863 Q HN 0.477 nan 8.270 nan 0.000 0.421 864 M N 2.187 121.834 119.600 0.078 0.000 2.072 864 M HA 0.487 4.975 4.480 0.012 0.000 0.331 864 M C -1.335 175.040 176.300 0.125 0.000 1.004 864 M CA -0.458 54.846 55.300 0.008 0.000 0.952 864 M CB 0.910 33.506 32.600 -0.007 0.000 1.511 864 M HN 0.659 nan 8.290 nan 0.000 0.422 865 A N 7.105 129.968 122.820 0.072 0.000 2.252 865 A HA 0.641 4.968 4.320 0.012 0.000 0.309 865 A C -0.714 176.895 177.584 0.043 0.000 1.285 865 A CA -0.620 51.464 52.037 0.078 0.000 0.900 865 A CB 0.024 19.054 19.000 0.050 0.000 1.157 865 A HN 0.929 nan 8.150 nan 0.000 0.536 866 I N 2.657 123.246 120.570 0.030 0.000 2.339 866 I HA 0.293 4.470 4.170 0.012 0.000 0.290 866 I C -0.129 175.883 176.117 -0.176 0.000 0.994 866 I CA -0.143 61.078 61.300 -0.131 0.000 1.191 866 I CB 1.882 39.831 38.000 -0.085 0.000 1.343 866 I HN 0.482 nan 8.210 nan 0.000 0.458 867 T N 5.963 120.382 114.554 -0.226 0.000 2.779 867 T HA 0.525 4.883 4.350 0.012 0.000 0.280 867 T C -0.220 174.317 174.700 -0.272 0.000 0.987 867 T CA -0.467 61.518 62.100 -0.192 0.000 0.966 867 T CB 1.698 70.549 68.868 -0.028 0.000 0.933 867 T HN 0.209 nan 8.240 nan 0.000 0.442 868 V N 3.710 123.352 119.914 -0.453 0.000 2.540 868 V HA 0.513 4.640 4.120 0.012 0.000 0.302 868 V C -0.637 175.353 176.094 -0.172 0.000 1.035 868 V CA -0.907 61.142 62.300 -0.419 0.000 0.873 868 V CB 2.033 33.314 31.823 -0.904 0.000 0.992 868 V HN 0.854 nan 8.190 nan 0.000 0.428 869 D N 3.213 123.653 120.400 0.066 0.000 2.620 869 D HA 0.506 5.153 4.640 0.012 0.000 0.252 869 D C -1.105 175.333 176.300 0.231 0.000 1.207 869 D CA -0.130 53.995 54.000 0.208 0.000 0.884 869 D CB 2.834 43.762 40.800 0.213 0.000 1.262 869 D HN 0.264 nan 8.370 nan 0.000 0.552 870 V N 2.189 122.274 119.914 0.285 0.000 2.581 870 V HA 0.306 4.434 4.120 0.012 0.000 0.303 870 V C 0.104 176.349 176.094 0.253 0.000 1.041 870 V CA -0.688 61.790 62.300 0.296 0.000 0.907 870 V CB 2.432 34.459 31.823 0.341 0.000 0.994 870 V HN 0.376 nan 8.190 nan 0.000 0.442 871 E N 2.358 122.694 120.200 0.227 0.000 2.171 871 E HA 0.615 4.972 4.350 0.012 0.000 0.271 871 E C -1.525 175.194 176.600 0.199 0.000 0.916 871 E CA -0.551 55.961 56.400 0.187 0.000 0.774 871 E CB 2.479 32.273 29.700 0.156 0.000 1.128 871 E HN 0.419 nan 8.360 nan 0.000 0.403 872 V N 2.366 122.400 119.914 0.200 0.000 2.407 872 V HA 0.332 4.459 4.120 0.012 0.000 0.291 872 V C 0.042 176.232 176.094 0.160 0.000 1.018 872 V CA -0.932 61.506 62.300 0.230 0.000 0.842 872 V CB 1.439 33.425 31.823 0.271 0.000 0.996 872 V HN 0.839 nan 8.190 nan 0.000 0.426 873 A N 3.717 126.586 122.820 0.082 0.000 2.561 873 A HA 0.206 4.533 4.320 0.012 0.000 0.251 873 A C 1.689 179.339 177.584 0.110 0.000 1.062 873 A CA 0.691 52.763 52.037 0.058 0.000 0.761 873 A CB 0.136 19.129 19.000 -0.011 0.000 0.986 873 A HN 1.381 nan 8.150 nan 0.000 0.510 874 S N 1.666 117.431 115.700 0.109 0.000 2.419 874 S HA -0.185 4.293 4.470 0.012 0.000 0.235 874 S C 0.994 175.665 174.600 0.118 0.000 1.019 874 S CA 1.419 59.701 58.200 0.137 0.000 0.982 874 S CB -0.278 62.984 63.200 0.102 0.000 0.789 874 S HN 0.835 nan 8.310 nan 0.000 0.490 875 D N 0.147 120.592 120.400 0.073 0.000 2.349 875 D HA 0.106 4.753 4.640 0.012 0.000 0.214 875 D C 0.561 176.882 176.300 0.035 0.000 1.063 875 D CA 0.083 54.108 54.000 0.041 0.000 0.847 875 D CB -0.384 40.431 40.800 0.025 0.000 0.933 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 1.975 116.574 114.554 0.076 0.000 2.909 876 T HA 0.336 4.694 4.350 0.012 0.000 0.286 876 T C -2.579 172.217 174.700 0.161 0.000 1.002 876 T CA -1.856 60.314 62.100 0.116 0.000 1.074 876 T CB 1.378 70.334 68.868 0.147 0.000 0.984 876 T HN -0.105 nan 8.240 nan 0.000 0.495 877 P HA 0.043 nan 4.420 nan 0.000 0.265 877 P C -0.609 177.012 177.300 0.535 0.000 1.193 877 P CA 0.045 63.249 63.100 0.173 0.000 0.765 877 P CB -0.021 31.733 31.700 0.091 0.000 0.823 878 H N 4.173 123.599 119.070 0.594 0.000 3.125 878 H HA 0.024 4.587 4.556 0.012 0.000 0.310 878 H C -1.414 174.260 175.328 0.577 0.000 0.980 878 H CA -1.124 55.226 56.048 0.503 0.000 1.422 878 H CB -0.430 29.584 29.762 0.421 0.000 1.432 878 H HN 0.392 nan 8.280 nan 0.000 0.577 879 P HA -0.037 nan 4.420 nan 0.000 0.271 879 P C 0.126 177.341 177.300 -0.141 0.000 1.218 879 P CA -0.156 62.999 63.100 0.093 0.000 0.780 879 P CB 1.100 32.683 31.700 -0.195 0.000 0.901 880 A N 3.753 126.260 122.820 -0.522 0.000 2.015 880 A HA -0.087 4.241 4.320 0.012 0.000 0.219 880 A C 1.051 178.263 177.584 -0.619 0.000 1.163 880 A CA 1.257 52.935 52.037 -0.599 0.000 0.646 880 A CB -0.523 17.866 19.000 -1.019 0.000 0.806 880 A HN 0.772 nan 8.150 nan 0.000 0.448 881 R N -2.942 117.232 120.500 -0.544 0.000 2.728 881 R HA 0.680 5.028 4.340 0.012 0.000 0.274 881 R C -1.681 174.386 176.300 -0.389 0.000 1.032 881 R CA -0.755 55.048 56.100 -0.494 0.000 0.866 881 R CB 0.580 30.556 30.300 -0.541 0.000 1.263 881 R HN -0.014 nan 8.270 nan 0.000 0.475 882 I N 1.360 121.738 120.570 -0.318 0.000 2.542 882 I HA 0.668 4.845 4.170 0.012 0.000 0.278 882 I C -0.346 175.559 176.117 -0.354 0.000 1.069 882 I CA -0.363 60.770 61.300 -0.279 0.000 1.100 882 I CB 1.727 39.623 38.000 -0.173 0.000 1.204 882 I HN 0.972 nan 8.210 nan 0.000 0.470 883 G N 5.874 114.412 108.800 -0.437 0.000 2.753 883 G HA2 0.770 4.737 3.960 0.012 0.000 0.303 883 G HA3 0.770 4.737 3.960 0.012 0.000 0.303 883 G C -1.614 173.122 174.900 -0.273 0.000 1.242 883 G CA -0.546 44.333 45.100 -0.369 0.000 0.810 883 G HN 0.264 nan 8.290 nan 0.000 0.515 884 L N 0.836 121.941 121.223 -0.196 0.000 2.350 884 L HA 0.648 4.995 4.340 0.012 0.000 0.260 884 L C -0.928 175.838 176.870 -0.173 0.000 1.015 884 L CA -1.143 53.606 54.840 -0.150 0.000 0.821 884 L CB 2.578 44.631 42.059 -0.009 0.000 1.370 884 L HN 0.815 nan 8.230 nan 0.000 0.416 885 N N 0.591 119.218 118.700 -0.123 0.000 2.591 885 N HA 0.705 5.452 4.740 0.012 0.000 0.263 885 N C -1.328 174.194 175.510 0.020 0.000 1.308 885 N CA -0.529 52.487 53.050 -0.056 0.000 0.837 885 N CB 2.445 40.923 38.487 -0.015 0.000 1.548 885 N HN 0.859 nan 8.380 nan 0.000 0.493 886 C N -1.285 118.041 119.300 0.043 0.000 3.303 886 C HA 0.532 4.999 4.460 0.012 0.000 0.340 886 C C -1.058 173.720 174.990 -0.354 0.000 1.274 886 C CA -0.886 58.087 59.018 -0.075 0.000 1.234 886 C CB 0.997 28.725 27.740 -0.021 0.000 1.532 886 C HN 0.865 nan 8.230 nan 0.000 0.483 887 Q N 1.719 121.049 119.800 -0.782 0.000 2.398 887 Q HA 0.636 4.983 4.340 0.012 0.000 0.251 887 Q C -0.903 174.786 176.000 -0.518 0.000 0.999 887 Q CA -0.417 54.700 55.803 -1.142 0.000 0.874 887 Q CB 0.688 28.341 28.738 -1.808 0.000 1.215 887 Q HN 0.773 nan 8.270 nan 0.000 0.470 888 L N 2.675 123.715 121.223 -0.306 0.000 2.417 888 L HA 0.242 4.590 4.340 0.012 0.000 0.268 888 L C 1.177 177.999 176.870 -0.080 0.000 1.158 888 L CA -0.180 54.613 54.840 -0.077 0.000 0.819 888 L CB 0.756 42.883 42.059 0.114 0.000 1.112 888 L HN 0.800 nan 8.230 nan 0.000 0.458 889 A N 1.786 124.590 122.820 -0.027 0.000 2.016 889 A HA -0.074 4.253 4.320 0.012 0.000 0.217 889 A C 1.106 178.699 177.584 0.016 0.000 1.162 889 A CA 0.432 52.448 52.037 -0.036 0.000 0.662 889 A CB -0.216 18.758 19.000 -0.043 0.000 0.812 889 A HN 0.755 nan 8.150 nan 0.000 0.450 890 Q N 0.011 119.865 119.800 0.089 0.000 2.364 890 Q HA 0.385 4.732 4.340 0.012 0.000 0.267 890 Q C -1.081 174.994 176.000 0.125 0.000 0.999 890 Q CA 0.580 56.432 55.803 0.081 0.000 0.886 890 Q CB 0.776 29.581 28.738 0.112 0.000 1.243 890 Q HN 0.130 nan 8.270 nan 0.000 0.415 891 V N 3.849 123.781 119.914 0.030 0.000 2.443 891 V HA 0.675 4.802 4.120 0.012 0.000 0.272 891 V C -0.528 175.546 176.094 -0.033 0.000 1.002 891 V CA -0.369 61.979 62.300 0.080 0.000 0.840 891 V CB 0.796 32.641 31.823 0.037 0.000 1.042 891 V HN 0.887 nan 8.190 nan 0.000 0.446 892 A N 2.841 125.558 122.820 -0.172 0.000 2.269 892 A HA 0.725 5.053 4.320 0.012 0.000 0.319 892 A C 0.841 178.422 177.584 -0.005 0.000 1.110 892 A CA -0.428 51.457 52.037 -0.252 0.000 0.847 892 A CB 0.904 19.509 19.000 -0.659 0.000 1.161 892 A HN 0.768 nan 8.150 nan 0.000 0.497 893 E N 0.041 120.236 120.200 -0.008 0.000 2.158 893 E HA -0.032 4.326 4.350 0.012 0.000 0.191 893 E C 0.137 176.800 176.600 0.105 0.000 0.982 893 E CA 0.663 57.093 56.400 0.050 0.000 0.823 893 E CB 0.101 29.814 29.700 0.022 0.000 0.766 893 E HN 0.431 nan 8.360 nan 0.000 0.468 894 R N 0.406 120.975 120.500 0.115 0.000 2.892 894 R HA 0.553 4.900 4.340 0.012 0.000 0.265 894 R C -0.829 175.647 176.300 0.293 0.000 1.025 894 R CA -0.884 55.319 56.100 0.173 0.000 0.982 894 R CB 1.865 32.235 30.300 0.116 0.000 1.185 894 R HN -0.163 nan 8.270 nan 0.000 0.484 895 V N 1.889 121.996 119.914 0.322 0.000 2.525 895 V HA 0.342 4.469 4.120 0.012 0.000 0.299 895 V C -0.417 175.948 176.094 0.452 0.000 1.034 895 V CA -0.918 61.623 62.300 0.402 0.000 0.863 895 V CB 1.913 33.933 31.823 0.329 0.000 0.999 895 V HN 0.637 nan 8.190 nan 0.000 0.423 896 N N 4.628 123.565 118.700 0.395 0.000 2.354 896 N HA 0.521 5.268 4.740 0.012 0.000 0.287 896 N C -1.385 174.360 175.510 0.391 0.000 1.016 896 N CA -0.414 52.824 53.050 0.314 0.000 0.871 896 N CB 2.446 41.018 38.487 0.142 0.000 1.299 896 N HN 0.801 nan 8.380 nan 0.000 0.482 897 W N 3.515 124.851 121.300 0.060 0.000 3.167 897 W HA 0.561 5.228 4.660 0.012 0.000 0.324 897 W C -2.004 174.476 176.519 -0.064 0.000 1.230 897 W CA -1.134 56.217 57.345 0.011 0.000 1.184 897 W CB 0.635 30.126 29.460 0.052 0.000 1.414 897 W HN 0.210 nan 8.180 nan 0.000 0.551 898 L N 4.717 125.900 121.223 -0.067 0.000 2.283 898 L HA 0.892 5.239 4.340 0.012 0.000 0.281 898 L C 0.016 176.699 176.870 -0.311 0.000 1.033 898 L CA 0.360 54.972 54.840 -0.380 0.000 0.848 898 L CB 0.363 42.276 42.059 -0.244 0.000 1.226 898 L HN 0.964 nan 8.230 nan 0.000 0.429 899 G N 3.796 112.310 108.800 -0.476 0.000 2.364 899 G HA2 0.235 4.202 3.960 0.012 0.000 0.286 899 G HA3 0.235 4.202 3.960 0.012 0.000 0.286 899 G C -1.564 173.399 174.900 0.106 0.000 1.241 899 G CA -0.995 44.058 45.100 -0.078 0.000 0.887 899 G HN 0.383 nan 8.290 nan 0.000 0.484 900 L N 1.206 122.628 121.223 0.331 0.000 2.331 900 L HA 0.626 4.973 4.340 0.012 0.000 0.278 900 L C 1.015 178.023 176.870 0.230 0.000 1.106 900 L CA 0.600 55.593 54.840 0.255 0.000 0.824 900 L CB 0.630 42.777 42.059 0.146 0.000 1.142 900 L HN 1.114 nan 8.230 nan 0.000 0.443 901 G N 2.914 111.651 108.800 -0.105 0.000 2.435 901 G HA2 0.231 4.198 3.960 0.012 0.000 0.296 901 G HA3 0.231 4.198 3.960 0.012 0.000 0.296 901 G C -2.690 171.438 174.900 -1.287 0.000 1.240 901 G CA -0.207 44.481 45.100 -0.688 0.000 0.872 901 G HN 0.327 nan 8.290 nan 0.000 0.480 902 P HA 0.043 nan 4.420 nan 0.000 0.227 902 P C 0.451 177.552 177.300 -0.331 0.000 1.161 902 P CA 0.705 63.118 63.100 -1.145 0.000 0.788 902 P CB 0.445 31.578 31.700 -0.945 0.000 0.822 903 Q N 0.516 120.115 119.800 -0.335 0.000 2.396 903 Q HA 0.137 4.484 4.340 0.012 0.000 0.221 903 Q C 0.418 176.309 176.000 -0.183 0.000 1.025 903 Q CA -0.558 55.127 55.803 -0.197 0.000 0.946 903 Q CB 0.601 29.242 28.738 -0.162 0.000 1.224 903 Q HN 0.132 nan 8.270 nan 0.000 0.539 904 E N 1.398 121.497 120.200 -0.169 0.000 2.529 904 E HA -0.111 4.246 4.350 0.012 0.000 0.259 904 E C -1.154 175.376 176.600 -0.116 0.000 0.966 904 E CA 0.270 56.564 56.400 -0.178 0.000 0.937 904 E CB 0.200 29.853 29.700 -0.079 0.000 0.923 904 E HN 0.576 nan 8.360 nan 0.000 0.468 905 N N 2.870 121.437 118.700 -0.222 0.000 2.308 905 N HA 0.293 5.040 4.740 0.012 0.000 0.283 905 N C -1.864 173.458 175.510 -0.314 0.000 1.105 905 N CA -0.669 52.306 53.050 -0.126 0.000 0.840 905 N CB 0.691 39.117 38.487 -0.102 0.000 1.633 905 N HN 0.198 nan 8.380 nan 0.000 0.476 906 Y N 0.199 120.418 120.300 -0.135 0.000 2.587 906 Y HA 0.538 5.095 4.550 0.012 0.000 0.337 906 Y C -1.476 174.361 175.900 -0.105 0.000 1.065 906 Y CA -2.030 55.983 58.100 -0.145 0.000 1.126 906 Y CB 1.555 39.931 38.460 -0.140 0.000 1.279 906 Y HN 0.428 nan 8.280 nan 0.000 0.489 907 P HA -0.219 nan 4.420 nan 0.000 0.216 907 P C 0.363 177.556 177.300 -0.179 0.000 1.154 907 P CA 2.253 65.402 63.100 0.083 0.000 0.865 907 P CB 0.182 32.038 31.700 0.259 0.000 0.789 908 D N -2.077 117.983 120.400 -0.568 0.000 2.342 908 D HA -0.008 4.639 4.640 0.012 0.000 0.221 908 D C 0.873 177.009 176.300 -0.274 0.000 1.101 908 D CA 0.002 53.442 54.000 -0.933 0.000 0.837 908 D CB -0.253 39.758 40.800 -1.315 0.000 0.938 908 D HN 0.164 nan 8.370 nan 0.000 0.508 909 R N 1.004 121.452 120.500 -0.086 0.000 2.627 909 R HA 0.190 4.537 4.340 0.012 0.000 0.251 909 R C -0.604 175.730 176.300 0.057 0.000 1.524 909 R CA -0.157 55.958 56.100 0.025 0.000 1.606 909 R CB 0.078 30.399 30.300 0.035 0.000 1.396 909 R HN 0.098 nan 8.270 nan 0.000 0.724 910 L N -1.863 119.399 121.223 0.066 0.000 3.410 910 L HA 0.336 4.683 4.340 0.012 0.000 0.309 910 L C 1.322 178.252 176.870 0.099 0.000 1.254 910 L CA 0.061 54.941 54.840 0.066 0.000 1.048 910 L CB 0.135 42.224 42.059 0.050 0.000 1.442 910 L HN 0.073 nan 8.230 nan 0.000 0.615 911 T N -2.564 112.073 114.554 0.140 0.000 2.833 911 T HA -0.019 4.338 4.350 0.012 0.000 0.269 911 T C 1.820 176.573 174.700 0.089 0.000 1.054 911 T CA 1.379 63.586 62.100 0.179 0.000 1.135 911 T CB -0.353 68.675 68.868 0.266 0.000 0.869 911 T HN 0.387 nan 8.240 nan 0.000 0.466 912 A N 1.888 124.762 122.820 0.090 0.000 2.014 912 A HA 0.607 4.934 4.320 0.012 0.000 0.218 912 A C 1.700 179.372 177.584 0.147 0.000 1.163 912 A CA 0.635 52.693 52.037 0.034 0.000 0.652 912 A CB -1.066 18.078 19.000 0.241 0.000 0.808 912 A HN 0.862 nan 8.150 nan 0.000 0.449 913 A N -1.064 121.791 122.820 0.057 0.000 2.445 913 A HA 0.419 4.747 4.320 0.012 0.000 0.242 913 A C 0.073 177.687 177.584 0.050 0.000 1.075 913 A CA 0.028 52.061 52.037 -0.006 0.000 0.777 913 A CB -0.212 18.775 19.000 -0.022 0.000 1.013 913 A HN 0.508 nan 8.150 nan 0.000 0.493 914 C N 0.843 120.171 119.300 0.048 0.000 2.493 914 C HA 0.557 5.025 4.460 0.012 0.000 0.326 914 C C -0.093 175.021 174.990 0.206 0.000 1.200 914 C CA -0.489 58.615 59.018 0.142 0.000 1.739 914 C CB 0.754 28.590 27.740 0.159 0.000 2.300 914 C HN 0.786 nan 8.230 nan 0.000 0.500 915 F N 3.632 123.440 119.950 -0.237 0.000 2.438 915 F HA 0.508 5.042 4.527 0.012 0.000 0.356 915 F C 0.389 175.857 175.800 -0.554 0.000 1.099 915 F CA 1.175 58.871 58.000 -0.507 0.000 1.185 915 F CB 0.059 38.230 39.000 -1.381 0.000 1.115 915 F HN 0.635 nan 8.300 nan 0.000 0.526 916 D N 3.001 122.742 120.400 -1.099 0.000 2.827 916 D HA 0.114 4.761 4.640 0.012 0.000 0.336 916 D C -1.720 173.680 176.300 -1.501 0.000 1.374 916 D CA -0.736 52.528 54.000 -1.226 0.000 0.794 916 D CB 1.244 41.281 40.800 -1.273 0.000 1.364 916 D HN 0.452 nan 8.370 nan 0.000 0.464 917 R N 0.944 120.690 120.500 -1.258 0.000 2.210 917 R HA 0.464 4.811 4.340 0.012 0.000 0.338 917 R C -1.352 174.238 176.300 -1.183 0.000 1.062 917 R CA -0.071 55.438 56.100 -0.985 0.000 0.902 917 R CB -0.050 29.902 30.300 -0.579 0.000 1.050 917 R HN 0.259 nan 8.270 nan 0.000 0.461 918 W N 2.864 123.648 121.300 -0.861 0.000 2.627 918 W HA 0.416 5.083 4.660 0.012 0.000 0.339 918 W C -0.318 175.814 176.519 -0.645 0.000 1.058 918 W CA -0.705 56.076 57.345 -0.941 0.000 1.223 918 W CB 1.646 30.080 29.460 -1.710 0.000 1.389 918 W HN 0.379 nan 8.180 nan 0.000 0.541 919 D N 2.989 123.344 120.400 -0.075 0.000 2.736 919 D HA 0.484 5.132 4.640 0.012 0.000 0.243 919 D C -1.473 174.918 176.300 0.152 0.000 1.304 919 D CA -0.178 53.865 54.000 0.072 0.000 0.934 919 D CB 1.163 41.973 40.800 0.015 0.000 1.382 919 D HN 0.389 nan 8.370 nan 0.000 0.571 920 L N 3.307 124.691 121.223 0.270 0.000 2.376 920 L HA 0.566 4.913 4.340 0.012 0.000 0.258 920 L C -2.342 174.645 176.870 0.196 0.000 1.013 920 L CA -2.018 52.957 54.840 0.224 0.000 0.822 920 L CB 2.888 45.117 42.059 0.284 0.000 1.388 920 L HN 0.180 nan 8.230 nan 0.000 0.413 921 P HA 0.033 nan 4.420 nan 0.000 0.274 921 P C 0.589 177.966 177.300 0.129 0.000 1.231 921 P CA -0.438 62.733 63.100 0.119 0.000 0.790 921 P CB 1.354 33.102 31.700 0.081 0.000 0.951 922 L N 3.521 124.826 121.223 0.137 0.000 2.089 922 L HA -0.265 4.083 4.340 0.012 0.000 0.213 922 L C 2.475 179.388 176.870 0.072 0.000 1.079 922 L CA 2.840 57.749 54.840 0.114 0.000 0.758 922 L CB -1.564 40.575 42.059 0.132 0.000 0.891 922 L HN 0.505 nan 8.230 nan 0.000 0.433 923 S N -1.678 114.066 115.700 0.074 0.000 2.400 923 S HA -0.204 4.274 4.470 0.012 0.000 0.232 923 S C 1.621 176.286 174.600 0.109 0.000 1.025 923 S CA 1.292 59.548 58.200 0.093 0.000 0.993 923 S CB -0.820 62.428 63.200 0.081 0.000 0.808 923 S HN 0.553 nan 8.310 nan 0.000 0.478 924 D N 1.005 121.448 120.400 0.072 0.000 2.371 924 D HA 0.096 4.743 4.640 0.012 0.000 0.221 924 D C 1.039 177.340 176.300 0.002 0.000 0.986 924 D CA 0.528 54.550 54.000 0.035 0.000 0.899 924 D CB -0.104 40.723 40.800 0.045 0.000 0.902 924 D HN 0.394 nan 8.370 nan 0.000 0.530 925 M N -0.327 119.282 119.600 0.015 0.000 2.505 925 M HA 0.064 4.551 4.480 0.012 0.000 0.230 925 M C -0.161 176.131 176.300 -0.014 0.000 1.153 925 M CA -0.122 55.137 55.300 -0.068 0.000 0.997 925 M CB -0.826 31.723 32.600 -0.086 0.000 1.606 925 M HN -0.054 nan 8.290 nan 0.000 0.481 926 Y N -0.147 120.101 120.300 -0.087 0.000 2.361 926 Y HA 0.482 5.039 4.550 0.012 0.000 0.337 926 Y C -0.779 175.065 175.900 -0.093 0.000 0.965 926 Y CA -0.989 57.080 58.100 -0.052 0.000 1.091 926 Y CB 1.268 39.757 38.460 0.047 0.000 1.182 926 Y HN -0.120 nan 8.280 nan 0.000 0.450 927 T N 9.307 123.399 114.554 -0.770 0.000 2.738 927 T HA 0.255 4.612 4.350 0.012 0.000 0.298 927 T C -2.572 171.339 174.700 -1.314 0.000 0.962 927 T CA -1.425 60.132 62.100 -0.905 0.000 0.972 927 T CB 0.895 69.284 68.868 -0.799 0.000 0.928 927 T HN 0.468 nan 8.240 nan 0.000 0.474 928 P HA 0.057 nan 4.420 nan 0.000 0.232 928 P C -0.701 176.454 177.300 -0.242 0.000 1.738 928 P CA -0.400 62.296 63.100 -0.674 0.000 0.948 928 P CB -0.580 30.869 31.700 -0.417 0.000 1.943 929 Y N -0.030 120.213 120.300 -0.096 0.000 2.620 929 Y HA -0.091 4.466 4.550 0.012 0.000 0.330 929 Y C 2.248 178.211 175.900 0.105 0.000 1.186 929 Y CA -0.026 58.081 58.100 0.012 0.000 1.467 929 Y CB 0.125 38.524 38.460 -0.101 0.000 1.262 929 Y HN -0.073 nan 8.280 nan 0.000 0.550 930 V N 3.518 123.666 119.914 0.390 0.000 2.324 930 V HA -0.308 3.820 4.120 0.012 0.000 0.250 930 V C 0.653 176.943 176.094 0.327 0.000 1.060 930 V CA 1.504 64.013 62.300 0.348 0.000 1.042 930 V CB -0.670 31.391 31.823 0.397 0.000 0.650 930 V HN 0.594 nan 8.190 nan 0.000 0.450 931 F N 2.794 122.821 119.950 0.128 0.000 2.361 931 F HA 0.526 5.060 4.527 0.012 0.000 0.364 931 F C -2.500 173.340 175.800 0.067 0.000 1.120 931 F CA -3.733 54.295 58.000 0.046 0.000 1.102 931 F CB 0.780 39.722 39.000 -0.097 0.000 1.183 931 F HN -0.019 nan 8.300 nan 0.000 0.476 932 P HA 0.216 nan 4.420 nan 0.000 0.266 932 P C -1.004 175.989 177.300 -0.512 0.000 1.195 932 P CA 0.271 63.145 63.100 -0.376 0.000 0.768 932 P CB 0.997 32.504 31.700 -0.321 0.000 0.838 933 S N 0.334 115.921 115.700 -0.189 0.000 2.683 933 S HA 0.434 4.912 4.470 0.012 0.000 0.269 933 S C -0.880 173.715 174.600 -0.008 0.000 1.165 933 S CA -0.977 57.152 58.200 -0.117 0.000 0.840 933 S CB 0.432 63.587 63.200 -0.075 0.000 1.169 933 S HN 0.313 nan 8.310 nan 0.000 0.490 934 E N 1.272 121.480 120.200 0.014 0.000 2.502 934 E HA 0.382 4.739 4.350 0.012 0.000 0.261 934 E C -0.196 176.471 176.600 0.111 0.000 0.974 934 E CA 0.826 57.264 56.400 0.063 0.000 0.936 934 E CB -0.269 29.494 29.700 0.104 0.000 0.926 934 E HN 0.799 nan 8.360 nan 0.000 0.459 935 N N 1.440 120.230 118.700 0.150 0.000 3.046 935 N HA 0.488 5.236 4.740 0.012 0.000 0.243 935 N C 0.190 175.742 175.510 0.069 0.000 1.452 935 N CA -0.543 52.627 53.050 0.199 0.000 0.882 935 N CB 0.842 39.439 38.487 0.184 0.000 1.425 935 N HN 0.696 nan 8.380 nan 0.000 0.517 936 G N -1.293 107.506 108.800 -0.001 0.000 2.168 936 G HA2 -0.273 3.694 3.960 0.012 0.000 0.263 936 G HA3 -0.273 3.694 3.960 0.012 0.000 0.263 936 G C -0.206 174.431 174.900 -0.439 0.000 0.977 936 G CA 0.484 45.468 45.100 -0.194 0.000 0.659 936 G HN 0.729 nan 8.290 nan 0.000 0.533 937 L N -0.001 120.893 121.223 -0.549 0.000 2.483 937 L HA 0.668 5.015 4.340 0.012 0.000 0.276 937 L C 0.639 176.938 176.870 -0.951 0.000 1.213 937 L CA 0.376 54.654 54.840 -0.937 0.000 0.843 937 L CB 0.560 41.752 42.059 -1.444 0.000 1.107 937 L HN 0.247 nan 8.230 nan 0.000 0.487 938 R N 2.550 122.419 120.500 -1.051 0.000 2.575 938 R HA 0.521 4.868 4.340 0.012 0.000 0.293 938 R C -1.053 174.929 176.300 -0.529 0.000 0.983 938 R CA -0.276 55.342 56.100 -0.805 0.000 0.887 938 R CB 1.439 31.070 30.300 -1.114 0.000 1.184 938 R HN 0.727 nan 8.270 nan 0.000 0.445 939 C N 0.249 119.382 119.300 -0.279 0.000 2.380 939 C HA 0.717 5.185 4.460 0.012 0.000 0.393 939 C C 1.187 176.176 174.990 -0.001 0.000 1.284 939 C CA -0.166 58.766 59.018 -0.144 0.000 2.033 939 C CB 1.351 29.020 27.740 -0.117 0.000 2.165 939 C HN 1.017 nan 8.230 nan 0.000 0.540 940 G N 1.806 110.612 108.800 0.009 0.000 2.390 940 G HA2 -0.183 3.784 3.960 0.012 0.000 0.299 940 G HA3 -0.183 3.784 3.960 0.012 0.000 0.299 940 G C -0.068 174.907 174.900 0.125 0.000 1.002 940 G CA 0.615 45.763 45.100 0.080 0.000 0.979 940 G HN 0.803 nan 8.290 nan 0.000 0.513 941 T N 0.154 114.655 114.554 -0.088 0.000 2.767 941 T HA 0.502 4.859 4.350 0.012 0.000 0.288 941 T C 1.316 175.708 174.700 -0.515 0.000 0.963 941 T CA -0.701 61.282 62.100 -0.196 0.000 1.019 941 T CB 1.365 70.099 68.868 -0.224 0.000 0.923 941 T HN 0.244 nan 8.240 nan 0.000 0.468 942 R N 1.639 122.056 120.500 -0.137 0.000 2.282 942 R HA 0.280 4.627 4.340 0.012 0.000 0.195 942 R C 0.511 176.825 176.300 0.023 0.000 0.909 942 R CA 0.179 56.252 56.100 -0.046 0.000 1.039 942 R CB 0.399 30.800 30.300 0.169 0.000 1.015 942 R HN 0.684 nan 8.270 nan 0.000 0.513 943 E N 0.591 120.808 120.200 0.028 0.000 2.321 943 E HA 0.303 4.660 4.350 0.012 0.000 0.281 943 E C -1.865 174.850 176.600 0.192 0.000 0.910 943 E CA -0.624 55.870 56.400 0.157 0.000 0.770 943 E CB 1.430 31.194 29.700 0.107 0.000 1.225 943 E HN -0.090 nan 8.360 nan 0.000 0.417 944 L N 4.123 125.518 121.223 0.287 0.000 2.386 944 L HA 0.615 4.962 4.340 0.012 0.000 0.271 944 L C -1.796 175.245 176.870 0.284 0.000 0.993 944 L CA -0.422 54.536 54.840 0.196 0.000 0.819 944 L CB 1.795 43.834 42.059 -0.033 0.000 1.294 944 L HN 0.476 nan 8.230 nan 0.000 0.414 945 N N 4.411 123.264 118.700 0.255 0.000 2.399 945 N HA 0.360 5.107 4.740 0.012 0.000 0.284 945 N C -2.021 173.702 175.510 0.356 0.000 1.025 945 N CA -0.249 52.944 53.050 0.238 0.000 0.885 945 N CB 2.112 40.683 38.487 0.140 0.000 1.339 945 N HN 0.584 nan 8.380 nan 0.000 0.487 946 Y N 1.413 121.845 120.300 0.220 0.000 2.332 946 Y HA 0.427 4.984 4.550 0.012 0.000 0.325 946 Y C 0.727 176.722 175.900 0.158 0.000 1.054 946 Y CA 0.121 58.356 58.100 0.226 0.000 1.119 946 Y CB 0.715 39.382 38.460 0.345 0.000 1.168 946 Y HN 0.850 nan 8.280 nan 0.000 0.439 947 G N 6.672 115.291 108.800 -0.302 0.000 2.583 947 G HA2 -0.296 3.671 3.960 0.012 0.000 0.292 947 G HA3 -0.296 3.671 3.960 0.012 0.000 0.292 947 G C -1.747 173.034 174.900 -0.199 0.000 1.203 947 G CA 0.145 45.064 45.100 -0.302 0.000 0.987 947 G HN 0.587 nan 8.290 nan 0.000 0.554 948 P HA 0.151 nan 4.420 nan 0.000 0.255 948 P C 0.106 177.226 177.300 -0.300 0.000 1.248 948 P CA 0.515 63.443 63.100 -0.287 0.000 0.807 948 P CB 0.053 31.556 31.700 -0.329 0.000 1.150 949 H N 0.656 119.653 119.070 -0.122 0.000 2.511 949 H HA 0.437 5.000 4.556 0.012 0.000 0.346 949 H C 0.003 175.019 175.328 -0.520 0.000 1.128 949 H CA 0.215 56.047 56.048 -0.360 0.000 1.342 949 H CB 1.399 30.784 29.762 -0.630 0.000 1.470 949 H HN 0.123 nan 8.280 nan 0.000 0.546 950 Q N 2.484 121.952 119.800 -0.553 0.000 2.271 950 Q HA 0.213 4.560 4.340 0.012 0.000 0.268 950 Q C -1.617 174.058 176.000 -0.543 0.000 1.021 950 Q CA -0.670 54.916 55.803 -0.362 0.000 0.802 950 Q CB 2.008 30.693 28.738 -0.088 0.000 1.282 950 Q HN 0.580 nan 8.270 nan 0.000 0.431 951 W N 4.075 125.312 121.300 -0.105 0.000 2.587 951 W HA 0.561 5.228 4.660 0.012 0.000 0.324 951 W C -0.168 176.427 176.519 0.125 0.000 1.040 951 W CA -0.643 56.612 57.345 -0.150 0.000 1.222 951 W CB 1.848 31.012 29.460 -0.493 0.000 1.381 951 W HN 0.500 nan 8.180 nan 0.000 0.483 952 R N 0.843 121.560 120.500 0.361 0.000 2.750 952 R HA 0.794 5.141 4.340 0.012 0.000 0.281 952 R C 0.239 176.790 176.300 0.418 0.000 0.972 952 R CA -0.455 55.869 56.100 0.373 0.000 0.912 952 R CB 2.392 32.825 30.300 0.222 0.000 1.187 952 R HN 0.740 nan 8.270 nan 0.000 0.464 953 G N 0.779 109.805 108.800 0.377 0.000 2.534 953 G HA2 -0.029 3.939 3.960 0.012 0.000 0.142 953 G HA3 -0.029 3.939 3.960 0.012 0.000 0.142 953 G C -1.781 173.226 174.900 0.178 0.000 1.178 953 G CA -0.436 44.858 45.100 0.323 0.000 1.037 953 G HN 0.499 nan 8.290 nan 0.000 0.474 954 D N 0.119 120.624 120.400 0.175 0.000 2.381 954 D HA 0.603 5.250 4.640 0.012 0.000 0.245 954 D C -0.638 175.661 176.300 -0.002 0.000 1.297 954 D CA -0.458 53.538 54.000 -0.006 0.000 0.931 954 D CB 0.189 41.014 40.800 0.041 0.000 1.334 954 D HN 0.576 nan 8.370 nan 0.000 0.535 955 F N 0.004 119.946 119.950 -0.012 0.000 2.706 955 F HA 0.816 5.350 4.527 0.012 0.000 0.328 955 F C -0.859 174.905 175.800 -0.060 0.000 1.123 955 F CA -1.094 56.844 58.000 -0.103 0.000 0.978 955 F CB 0.861 39.798 39.000 -0.106 0.000 1.404 955 F HN -0.172 nan 8.300 nan 0.000 0.497 956 Q N 1.003 120.914 119.800 0.186 0.000 2.306 956 Q HA 0.707 5.055 4.340 0.012 0.000 0.265 956 Q C -1.327 174.765 176.000 0.153 0.000 1.022 956 Q CA -0.538 55.277 55.803 0.021 0.000 0.853 956 Q CB 2.260 30.901 28.738 -0.161 0.000 1.327 956 Q HN 0.679 nan 8.270 nan 0.000 0.449 957 F N -0.572 119.268 119.950 -0.183 0.000 2.693 957 F HA 0.799 5.333 4.527 0.012 0.000 0.309 957 F C -1.597 173.980 175.800 -0.372 0.000 1.129 957 F CA -1.148 56.694 58.000 -0.263 0.000 0.948 957 F CB 1.361 40.236 39.000 -0.209 0.000 1.315 957 F HN 0.546 nan 8.300 nan 0.000 0.447 958 N N 1.971 120.433 118.700 -0.397 0.000 2.277 958 N HA 0.706 5.453 4.740 0.012 0.000 0.286 958 N C -2.195 173.206 175.510 -0.182 0.000 1.140 958 N CA -0.701 52.089 53.050 -0.434 0.000 0.799 958 N CB 2.539 40.820 38.487 -0.344 0.000 1.596 958 N HN 1.125 nan 8.380 nan 0.000 0.473 959 I N 0.701 121.169 120.570 -0.170 0.000 2.607 959 I HA 0.722 4.899 4.170 0.012 0.000 0.290 959 I C -1.315 174.709 176.117 -0.155 0.000 1.129 959 I CA -0.025 61.168 61.300 -0.179 0.000 1.042 959 I CB 1.432 39.275 38.000 -0.261 0.000 1.242 959 I HN 1.043 nan 8.210 nan 0.000 0.421 960 S N 6.252 121.872 115.700 -0.133 0.000 2.683 960 S HA 0.517 4.994 4.470 0.012 0.000 0.269 960 S C -0.230 174.251 174.600 -0.199 0.000 1.165 960 S CA -0.961 57.144 58.200 -0.158 0.000 0.840 960 S CB 1.653 64.806 63.200 -0.078 0.000 1.169 960 S HN 0.619 nan 8.310 nan 0.000 0.490 961 R N -0.180 120.037 120.500 -0.472 0.000 2.356 961 R HA 0.260 4.607 4.340 0.012 0.000 0.234 961 R C -0.978 175.019 176.300 -0.505 0.000 0.929 961 R CA 0.301 56.113 56.100 -0.480 0.000 1.084 961 R CB -0.997 28.925 30.300 -0.629 0.000 1.105 961 R HN 0.621 nan 8.270 nan 0.000 0.515 962 Y N 0.037 120.289 120.300 -0.081 0.000 2.350 962 Y HA 0.252 4.809 4.550 0.012 0.000 0.338 962 Y C 0.689 176.408 175.900 -0.301 0.000 0.961 962 Y CA -1.576 56.405 58.100 -0.199 0.000 1.100 962 Y CB 1.347 39.638 38.460 -0.282 0.000 1.179 962 Y HN -0.104 nan 8.280 nan 0.000 0.454 963 S N 1.847 117.274 115.700 -0.455 0.000 2.603 963 S HA 0.109 4.586 4.470 0.012 0.000 0.268 963 S C 0.901 175.178 174.600 -0.538 0.000 1.317 963 S CA -0.751 56.815 58.200 -1.057 0.000 1.012 963 S CB 1.216 63.500 63.200 -1.527 0.000 0.926 963 S HN 0.683 nan 8.310 nan 0.000 0.539 964 Q N 0.798 120.290 119.800 -0.512 0.000 2.135 964 Q HA -0.201 4.146 4.340 0.012 0.000 0.204 964 Q C 2.151 178.008 176.000 -0.238 0.000 0.981 964 Q CA 1.770 57.406 55.803 -0.279 0.000 0.856 964 Q CB -0.544 28.059 28.738 -0.226 0.000 0.902 964 Q HN 0.941 nan 8.270 nan 0.000 0.425 965 Q N 0.549 120.169 119.800 -0.300 0.000 2.050 965 Q HA -0.227 4.120 4.340 0.012 0.000 0.202 965 Q C 2.157 178.056 176.000 -0.168 0.000 0.980 965 Q CA 1.679 57.363 55.803 -0.198 0.000 0.840 965 Q CB 0.015 28.637 28.738 -0.193 0.000 0.898 965 Q HN 0.426 nan 8.270 nan 0.000 0.424 966 Q N 0.030 119.709 119.800 -0.200 0.000 2.084 966 Q HA -0.174 4.173 4.340 0.012 0.000 0.202 966 Q C 2.175 178.074 176.000 -0.170 0.000 0.978 966 Q CA 1.254 56.965 55.803 -0.154 0.000 0.844 966 Q CB -0.096 28.537 28.738 -0.176 0.000 0.898 966 Q HN 0.457 nan 8.270 nan 0.000 0.426 967 L N 0.512 121.619 121.223 -0.193 0.000 2.042 967 L HA -0.221 4.126 4.340 0.012 0.000 0.210 967 L C 2.718 179.463 176.870 -0.209 0.000 1.076 967 L CA 1.653 56.371 54.840 -0.203 0.000 0.749 967 L CB -0.537 41.428 42.059 -0.157 0.000 0.893 967 L HN 0.492 nan 8.230 nan 0.000 0.432 968 M N -1.859 117.646 119.600 -0.158 0.000 2.492 968 M HA -0.042 4.446 4.480 0.012 0.000 0.262 968 M C 1.386 177.625 176.300 -0.101 0.000 1.090 968 M CA 1.479 56.700 55.300 -0.132 0.000 1.110 968 M CB -0.264 32.270 32.600 -0.111 0.000 1.407 968 M HN 0.112 nan 8.290 nan 0.000 0.470 969 E N 0.939 121.081 120.200 -0.096 0.000 2.447 969 E HA 0.100 4.458 4.350 0.012 0.000 0.195 969 E C -0.196 176.381 176.600 -0.038 0.000 1.028 969 E CA 0.239 56.608 56.400 -0.052 0.000 0.876 969 E CB 0.462 30.136 29.700 -0.043 0.000 0.885 969 E HN 0.412 nan 8.360 nan 0.000 0.500 970 T N 0.545 115.047 114.554 -0.086 0.000 2.795 970 T HA 0.108 4.465 4.350 0.012 0.000 0.282 970 T C 1.138 175.803 174.700 -0.059 0.000 0.980 970 T CA -0.373 61.683 62.100 -0.073 0.000 1.012 970 T CB 1.680 70.470 68.868 -0.130 0.000 0.936 970 T HN 0.044 nan 8.240 nan 0.000 0.457 971 S N 1.892 117.662 115.700 0.118 0.000 2.470 971 S HA 0.078 4.555 4.470 0.012 0.000 0.222 971 S C 0.281 175.058 174.600 0.294 0.000 1.024 971 S CA 0.215 58.610 58.200 0.325 0.000 0.931 971 S CB -0.200 63.307 63.200 0.513 0.000 0.791 971 S HN 0.727 nan 8.310 nan 0.000 0.513 972 H N 0.856 119.997 119.070 0.118 0.000 2.600 972 H HA 0.542 5.105 4.556 0.012 0.000 0.357 972 H C 1.013 176.358 175.328 0.027 0.000 1.106 972 H CA -0.749 55.410 56.048 0.186 0.000 1.193 972 H CB 1.502 31.392 29.762 0.214 0.000 1.594 972 H HN 0.190 nan 8.280 nan 0.000 0.526 973 R N 1.750 122.383 120.500 0.221 0.000 2.120 973 R HA -0.157 4.191 4.340 0.012 0.000 0.234 973 R C 1.079 177.412 176.300 0.056 0.000 1.123 973 R CA 1.764 57.921 56.100 0.095 0.000 0.975 973 R CB -0.395 29.995 30.300 0.149 0.000 0.866 973 R HN 0.767 nan 8.270 nan 0.000 0.446 974 H N 0.757 119.855 119.070 0.047 0.000 2.559 974 H HA 0.074 4.637 4.556 0.012 0.000 0.273 974 H C 1.341 176.609 175.328 -0.101 0.000 1.000 974 H CA 0.553 56.588 56.048 -0.022 0.000 1.195 974 H CB -0.017 29.731 29.762 -0.022 0.000 1.368 974 H HN 0.319 nan 8.280 nan 0.000 0.592 975 L N 0.741 121.616 121.223 -0.580 0.000 2.585 975 L HA 0.223 4.571 4.340 0.012 0.000 0.226 975 L C 0.714 177.466 176.870 -0.197 0.000 1.113 975 L CA -0.137 54.417 54.840 -0.476 0.000 0.876 975 L CB 0.233 41.998 42.059 -0.489 0.000 1.072 975 L HN 0.058 nan 8.230 nan 0.000 0.468 976 L N 0.969 122.076 121.223 -0.194 0.000 2.439 976 L HA 0.110 4.457 4.340 0.012 0.000 0.269 976 L C 0.060 176.937 176.870 0.011 0.000 1.179 976 L CA -0.029 54.686 54.840 -0.207 0.000 0.828 976 L CB 0.290 41.979 42.059 -0.617 0.000 1.106 976 L HN 0.194 nan 8.230 nan 0.000 0.467 977 H N 1.526 120.622 119.070 0.044 0.000 2.667 977 H HA 0.541 5.104 4.556 0.012 0.000 0.353 977 H C -0.799 174.652 175.328 0.205 0.000 1.072 977 H CA -1.239 54.874 56.048 0.109 0.000 1.214 977 H CB 1.173 30.952 29.762 0.028 0.000 1.600 977 H HN 0.673 nan 8.280 nan 0.000 0.527 978 A N 3.825 126.706 122.820 0.102 0.000 2.548 978 A HA 0.079 4.407 4.320 0.012 0.000 0.247 978 A C 0.399 177.952 177.584 -0.050 0.000 1.067 978 A CA -0.010 51.949 52.037 -0.130 0.000 0.757 978 A CB -0.175 18.741 19.000 -0.139 0.000 0.996 978 A HN 0.838 nan 8.150 nan 0.000 0.504 979 E N 1.077 121.225 120.200 -0.086 0.000 2.322 979 E HA 0.212 4.569 4.350 0.012 0.000 0.257 979 E C 0.001 176.614 176.600 0.021 0.000 1.155 979 E CA -0.633 55.792 56.400 0.042 0.000 0.936 979 E CB 0.712 30.507 29.700 0.158 0.000 1.130 979 E HN 0.798 nan 8.360 nan 0.000 0.465 980 E N 0.236 120.458 120.200 0.036 0.000 2.384 980 E HA 0.195 4.553 4.350 0.012 0.000 0.266 980 E C 0.310 176.862 176.600 -0.080 0.000 1.012 980 E CA 0.595 56.987 56.400 -0.014 0.000 0.901 980 E CB 0.342 30.037 29.700 -0.009 0.000 0.967 980 E HN 0.667 nan 8.360 nan 0.000 0.435 981 G N 3.012 111.769 108.800 -0.072 0.000 2.598 981 G HA2 -0.236 3.731 3.960 0.012 0.000 0.244 981 G HA3 -0.236 3.731 3.960 0.012 0.000 0.244 981 G C -0.601 174.237 174.900 -0.104 0.000 1.302 981 G CA -0.143 44.901 45.100 -0.092 0.000 0.903 981 G HN 0.615 nan 8.290 nan 0.000 0.575 982 T N 0.202 114.680 114.554 -0.127 0.000 2.881 982 T HA 0.493 4.850 4.350 0.012 0.000 0.291 982 T C -0.695 173.866 174.700 -0.232 0.000 0.990 982 T CA -0.170 61.854 62.100 -0.127 0.000 0.976 982 T CB 1.320 70.160 68.868 -0.047 0.000 0.970 982 T HN 0.563 nan 8.240 nan 0.000 0.438 983 W N 3.224 124.422 121.300 -0.170 0.000 2.311 983 W HA 0.561 5.229 4.660 0.012 0.000 0.310 983 W C -0.186 176.193 176.519 -0.233 0.000 1.274 983 W CA -0.607 56.636 57.345 -0.170 0.000 1.215 983 W CB 0.612 29.985 29.460 -0.146 0.000 1.227 983 W HN 0.378 nan 8.180 nan 0.000 0.523 984 L N 5.648 126.847 121.223 -0.039 0.000 2.341 984 L HA 0.508 4.855 4.340 0.012 0.000 0.278 984 L C -0.951 175.807 176.870 -0.186 0.000 1.005 984 L CA -0.490 54.210 54.840 -0.233 0.000 0.818 984 L CB 0.970 42.733 42.059 -0.494 0.000 1.259 984 L HN 0.314 nan 8.230 nan 0.000 0.418 985 N N 6.867 125.442 118.700 -0.209 0.000 2.483 985 N HA 0.422 5.169 4.740 0.012 0.000 0.267 985 N C -1.313 174.039 175.510 -0.264 0.000 0.998 985 N CA -0.377 52.552 53.050 -0.201 0.000 0.918 985 N CB 2.134 40.532 38.487 -0.148 0.000 1.215 985 N HN 0.445 nan 8.380 nan 0.000 0.500 986 I N 2.193 122.556 120.570 -0.344 0.000 2.328 986 I HA 0.282 4.460 4.170 0.012 0.000 0.287 986 I C -0.203 175.723 176.117 -0.317 0.000 1.012 986 I CA -0.448 60.605 61.300 -0.412 0.000 1.195 986 I CB 1.142 38.726 38.000 -0.692 0.000 1.350 986 I HN 0.200 nan 8.210 nan 0.000 0.464 987 D N 4.470 124.725 120.400 -0.243 0.000 2.185 987 D HA 0.357 5.004 4.640 0.012 0.000 0.247 987 D C 1.114 177.141 176.300 -0.456 0.000 1.027 987 D CA -0.309 53.499 54.000 -0.319 0.000 0.861 987 D CB 2.595 43.304 40.800 -0.151 0.000 1.202 987 D HN 0.662 nan 8.370 nan 0.000 0.453 988 G N 0.719 108.981 108.800 -0.898 0.000 2.426 988 G HA2 0.046 4.014 3.960 0.012 0.000 0.214 988 G HA3 0.046 4.014 3.960 0.012 0.000 0.214 988 G C 0.036 174.284 174.900 -1.086 0.000 1.156 988 G CA 0.412 44.829 45.100 -1.138 0.000 0.802 988 G HN 0.355 nan 8.290 nan 0.000 0.534 989 F N -1.915 117.853 119.950 -0.303 0.000 2.601 989 F HA 0.615 5.149 4.527 0.012 0.000 0.309 989 F C -0.637 175.082 175.800 -0.135 0.000 1.089 989 F CA -1.225 56.684 58.000 -0.151 0.000 0.940 989 F CB 2.137 41.019 39.000 -0.198 0.000 1.273 989 F HN 0.017 nan 8.300 nan 0.000 0.450 990 H N 1.819 120.905 119.070 0.027 0.000 2.856 990 H HA 0.488 5.051 4.556 0.012 0.000 0.355 990 H C -0.743 174.614 175.328 0.048 0.000 1.079 990 H CA -0.798 55.238 56.048 -0.020 0.000 1.240 990 H CB 1.737 31.468 29.762 -0.052 0.000 1.701 990 H HN 0.780 nan 8.280 nan 0.000 0.527 991 M N 3.420 122.942 119.600 -0.130 0.000 2.250 991 M HA 0.256 4.744 4.480 0.012 0.000 0.325 991 M C 0.471 176.850 176.300 0.133 0.000 1.084 991 M CA 0.452 55.745 55.300 -0.013 0.000 1.161 991 M CB 0.313 32.814 32.600 -0.165 0.000 1.481 991 M HN 0.843 nan 8.290 nan 0.000 0.449 992 G N 2.698 111.569 108.800 0.117 0.000 2.636 992 G HA2 0.322 4.290 3.960 0.012 0.000 0.246 992 G HA3 0.322 4.290 3.960 0.012 0.000 0.246 992 G C 0.576 175.452 174.900 -0.039 0.000 1.216 992 G CA -0.453 44.665 45.100 0.030 0.000 0.854 992 G HN 0.973 nan 8.290 nan 0.000 0.572 993 I N -1.397 119.106 120.570 -0.111 0.000 3.645 993 I HA 0.392 4.570 4.170 0.012 0.000 0.300 993 I C 1.267 177.319 176.117 -0.108 0.000 1.260 993 I CA 0.398 61.597 61.300 -0.170 0.000 1.365 993 I CB -0.558 37.237 38.000 -0.342 0.000 1.077 993 I HN 0.896 nan 8.210 nan 0.000 0.439 994 G N 1.739 110.497 108.800 -0.070 0.000 2.601 994 G HA2 -0.019 3.948 3.960 0.012 0.000 0.261 994 G HA3 -0.019 3.948 3.960 0.012 0.000 0.261 994 G C 0.615 175.517 174.900 0.002 0.000 1.289 994 G CA 0.299 45.396 45.100 -0.005 0.000 0.920 994 G HN 1.388 nan 8.290 nan 0.000 0.571 995 G N -2.563 106.253 108.800 0.027 0.000 2.559 995 G HA2 0.016 3.983 3.960 0.012 0.000 0.202 995 G HA3 0.016 3.983 3.960 0.012 0.000 0.202 995 G C 0.642 175.596 174.900 0.090 0.000 0.992 995 G CA 0.937 46.062 45.100 0.040 0.000 0.764 995 G HN 0.939 nan 8.290 nan 0.000 0.525 996 D N 1.257 121.733 120.400 0.126 0.000 2.239 996 D HA 0.097 4.744 4.640 0.012 0.000 0.202 996 D C 0.948 177.287 176.300 0.064 0.000 0.993 996 D CA 2.142 56.281 54.000 0.232 0.000 0.874 996 D CB 0.118 41.058 40.800 0.232 0.000 0.922 996 D HN 0.839 nan 8.370 nan 0.000 0.464 997 D N -3.752 116.470 120.400 -0.297 0.000 2.653 997 D HA 0.258 4.905 4.640 0.012 0.000 0.258 997 D C -0.854 174.908 176.300 -0.896 0.000 1.252 997 D CA -0.725 52.639 54.000 -1.059 0.000 0.777 997 D CB 0.724 40.503 40.800 -1.702 0.000 1.339 997 D HN -0.295 nan 8.370 nan 0.000 0.422 998 S N -0.242 114.778 115.700 -1.132 0.000 2.651 998 S HA 0.248 4.725 4.470 0.012 0.000 0.246 998 S C -0.569 174.016 174.600 -0.027 0.000 1.039 998 S CA -0.662 57.373 58.200 -0.275 0.000 1.013 998 S CB -0.536 62.774 63.200 0.183 0.000 0.861 998 S HN 0.595 nan 8.310 nan 0.000 0.485 999 W N 1.205 122.434 121.300 -0.118 0.000 2.190 999 W HA 0.596 5.263 4.660 0.011 0.000 0.337 999 W C -0.098 176.359 176.519 -0.104 0.000 0.911 999 W CA -0.665 56.598 57.345 -0.137 0.000 1.925 999 W CB -0.572 28.757 29.460 -0.217 0.000 1.134 999 W HN 0.162 nan 8.180 nan 0.000 0.536 1000 S N -1.424 114.176 115.700 -0.168 0.000 2.565 1000 S HA 0.518 4.995 4.470 0.012 0.000 0.274 1000 S C -3.187 171.349 174.600 -0.106 0.000 1.144 1000 S CA -1.445 56.691 58.200 -0.107 0.000 0.849 1000 S CB 1.434 64.590 63.200 -0.073 0.000 1.103 1000 S HN -0.197 nan 8.310 nan 0.000 0.455 1001 P HA 0.142 nan 4.420 nan 0.000 0.260 1001 P C 0.448 177.787 177.300 0.064 0.000 1.185 1001 P CA 0.170 63.271 63.100 0.001 0.000 0.763 1001 P CB 0.477 32.058 31.700 -0.199 0.000 0.776 1002 S N 0.903 116.679 115.700 0.127 0.000 2.701 1002 S HA 0.151 4.628 4.470 0.012 0.000 0.242 1002 S C 0.234 174.918 174.600 0.139 0.000 1.025 1002 S CA -0.337 57.912 58.200 0.083 0.000 1.016 1002 S CB -0.209 62.988 63.200 -0.005 0.000 0.977 1002 S HN 0.114 nan 8.310 nan 0.000 0.546 1003 V N 2.757 122.805 119.914 0.223 0.000 2.455 1003 V HA 0.386 4.513 4.120 0.012 0.000 0.273 1003 V C 0.730 176.977 176.094 0.255 0.000 1.045 1003 V CA -0.321 62.099 62.300 0.199 0.000 0.976 1003 V CB 1.097 32.989 31.823 0.115 0.000 0.993 1003 V HN 0.504 nan 8.190 nan 0.000 0.475 1004 S N 3.976 119.836 115.700 0.267 0.000 2.562 1004 S HA 0.328 4.806 4.470 0.012 0.000 0.281 1004 S C 1.545 176.284 174.600 0.231 0.000 1.333 1004 S CA 0.043 58.391 58.200 0.247 0.000 1.052 1004 S CB 1.168 64.536 63.200 0.279 0.000 0.884 1004 S HN 0.998 nan 8.310 nan 0.000 0.506 1005 A N 3.936 126.850 122.820 0.156 0.000 1.940 1005 A HA -0.197 4.130 4.320 0.012 0.000 0.221 1005 A C 2.035 179.644 177.584 0.042 0.000 1.190 1005 A CA 2.085 54.196 52.037 0.123 0.000 0.647 1005 A CB -0.781 18.269 19.000 0.084 0.000 0.821 1005 A HN 0.977 nan 8.150 nan 0.000 0.457 1006 E N -1.204 118.958 120.200 -0.064 0.000 2.401 1006 E HA -0.150 4.208 4.350 0.012 0.000 0.199 1006 E C 0.629 176.985 176.600 -0.406 0.000 1.023 1006 E CA 0.914 57.154 56.400 -0.268 0.000 0.859 1006 E CB -0.380 29.061 29.700 -0.432 0.000 0.780 1006 E HN 0.637 nan 8.360 nan 0.000 0.523 1007 F N 1.180 121.176 119.950 0.077 0.000 2.654 1007 F HA 0.314 4.848 4.527 0.012 0.000 0.303 1007 F C 0.701 176.531 175.800 0.050 0.000 1.099 1007 F CA -0.372 57.673 58.000 0.076 0.000 1.270 1007 F CB 0.468 39.514 39.000 0.077 0.000 1.024 1007 F HN -0.174 nan 8.300 nan 0.000 0.548 1008 Q N 0.894 120.788 119.800 0.157 0.000 2.230 1008 Q HA 0.445 4.792 4.340 0.012 0.000 0.253 1008 Q C -0.225 175.784 176.000 0.015 0.000 0.919 1008 Q CA -0.550 55.313 55.803 0.099 0.000 0.908 1008 Q CB 1.949 30.815 28.738 0.214 0.000 1.245 1008 Q HN 0.205 nan 8.270 nan 0.000 0.437 1009 L N 2.505 123.719 121.223 -0.015 0.000 2.384 1009 L HA 0.109 4.456 4.340 0.012 0.000 0.258 1009 L C 0.621 177.441 176.870 -0.084 0.000 1.266 1009 L CA -0.034 54.789 54.840 -0.028 0.000 1.162 1009 L CB -0.366 41.560 42.059 -0.222 0.000 1.375 1009 L HN 0.681 nan 8.230 nan 0.000 0.420 1010 S N -1.011 114.569 115.700 -0.199 0.000 2.578 1010 S HA 0.155 4.632 4.470 0.012 0.000 0.231 1010 S C 1.649 176.211 174.600 -0.063 0.000 0.994 1010 S CA 0.163 58.121 58.200 -0.403 0.000 0.956 1010 S CB 0.756 63.526 63.200 -0.717 0.000 0.870 1010 S HN 0.516 nan 8.310 nan 0.000 0.494 1011 A N 1.574 124.391 122.820 -0.006 0.000 2.125 1011 A HA 0.402 4.729 4.320 0.012 0.000 0.219 1011 A C 2.153 179.637 177.584 -0.166 0.000 1.156 1011 A CA 1.357 53.255 52.037 -0.230 0.000 0.671 1011 A CB -1.339 17.235 19.000 -0.710 0.000 0.794 1011 A HN 1.504 nan 8.150 nan 0.000 0.459 1012 G N -1.384 107.438 108.800 0.037 0.000 2.550 1012 G HA2 -0.310 3.657 3.960 0.012 0.000 0.233 1012 G HA3 -0.310 3.657 3.960 0.012 0.000 0.233 1012 G C 0.478 175.424 174.900 0.076 0.000 1.170 1012 G CA 0.511 45.662 45.100 0.084 0.000 0.693 1012 G HN 0.701 nan 8.290 nan 0.000 0.512 1013 R N -0.452 119.982 120.500 -0.111 0.000 2.561 1013 R HA 0.668 5.015 4.340 0.012 0.000 0.297 1013 R C -1.527 174.580 176.300 -0.322 0.000 0.969 1013 R CA -0.599 55.462 56.100 -0.065 0.000 0.879 1013 R CB 1.507 31.779 30.300 -0.046 0.000 1.178 1013 R HN 0.237 nan 8.270 nan 0.000 0.445 1014 Y N 0.351 120.637 120.300 -0.024 0.000 2.499 1014 Y HA 0.368 4.925 4.550 0.012 0.000 0.347 1014 Y C -0.328 175.708 175.900 0.226 0.000 0.987 1014 Y CA -0.816 57.231 58.100 -0.089 0.000 1.044 1014 Y CB 2.114 40.365 38.460 -0.349 0.000 1.245 1014 Y HN 0.576 nan 8.280 nan 0.000 0.461 1015 H N 2.364 121.688 119.070 0.423 0.000 2.771 1015 H HA 0.614 5.178 4.556 0.012 0.000 0.361 1015 H C -1.866 173.856 175.328 0.657 0.000 1.108 1015 H CA -0.978 55.324 56.048 0.424 0.000 1.201 1015 H CB 1.235 31.135 29.762 0.230 0.000 1.681 1015 H HN 0.538 nan 8.280 nan 0.000 0.534 1016 Y N 1.845 121.902 120.300 -0.405 0.000 2.558 1016 Y HA 0.392 4.949 4.550 0.012 0.000 0.333 1016 Y C -2.075 173.616 175.900 -0.349 0.000 1.125 1016 Y CA -1.103 56.835 58.100 -0.271 0.000 1.039 1016 Y CB 1.135 39.569 38.460 -0.043 0.000 1.331 1016 Y HN 0.752 nan 8.280 nan 0.000 0.456 1017 Q N 3.587 123.331 119.800 -0.094 0.000 2.372 1017 Q HA 0.849 5.196 4.340 0.012 0.000 0.273 1017 Q C -1.988 174.077 176.000 0.108 0.000 1.078 1017 Q CA -1.105 54.655 55.803 -0.071 0.000 0.806 1017 Q CB 3.332 32.067 28.738 -0.004 0.000 1.332 1017 Q HN 0.853 nan 8.270 nan 0.000 0.435 1018 L N 1.098 122.379 121.223 0.097 0.000 2.409 1018 L HA 0.696 5.044 4.340 0.012 0.000 0.262 1018 L C -0.954 176.029 176.870 0.188 0.000 0.992 1018 L CA -1.263 53.682 54.840 0.175 0.000 0.817 1018 L CB 2.612 44.761 42.059 0.149 0.000 1.350 1018 L HN 0.456 nan 8.230 nan 0.000 0.411 1019 V N 0.861 120.909 119.914 0.223 0.000 2.409 1019 V HA 0.390 4.517 4.120 0.012 0.000 0.291 1019 V C -1.170 175.085 176.094 0.269 0.000 1.020 1019 V CA -0.416 62.018 62.300 0.223 0.000 0.848 1019 V CB 1.922 33.850 31.823 0.175 0.000 0.990 1019 V HN 0.606 nan 8.190 nan 0.000 0.430 1020 W N 6.986 128.338 121.300 0.087 0.000 2.475 1020 W HA 0.723 5.390 4.660 0.012 0.000 0.317 1020 W C -0.225 176.297 176.519 0.005 0.000 1.046 1020 W CA -1.081 56.246 57.345 -0.031 0.000 1.215 1020 W CB 1.471 30.975 29.460 0.074 0.000 1.335 1020 W HN 0.888 nan 8.180 nan 0.000 0.471 1021 C N 3.500 123.045 119.300 0.410 0.000 3.336 1021 C HA 0.704 5.172 4.460 0.012 0.000 0.339 1021 C C -0.733 174.374 174.990 0.195 0.000 1.468 1021 C CA -0.892 58.294 59.018 0.280 0.000 1.287 1021 C CB 1.644 29.488 27.740 0.174 0.000 1.682 1021 C HN 0.703 nan 8.230 nan 0.000 0.451 1022 Q N 1.258 121.128 119.800 0.116 0.000 2.274 1022 Q HA 0.672 5.020 4.340 0.012 0.000 0.260 1022 Q C -0.551 175.452 176.000 0.005 0.000 0.974 1022 Q CA -0.335 55.484 55.803 0.026 0.000 0.876 1022 Q CB 1.476 30.208 28.738 -0.010 0.000 1.297 1022 Q HN 0.851 nan 8.270 nan 0.000 0.446 1023 K N 0.000 120.381 120.400 -0.031 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 1023 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543