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 1jz1_1_J DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.027 0.000 1.214 4 T N -1.958 112.628 114.554 0.053 0.000 3.100 4 T HA 0.205 4.555 4.350 0.000 0.000 0.253 4 T C 0.792 175.529 174.700 0.062 0.000 1.118 4 T CA 0.999 63.117 62.100 0.031 0.000 1.058 4 T CB -0.466 68.417 68.868 0.026 0.000 0.953 4 T HN 0.313 nan 8.240 nan 0.000 0.515 5 D N 2.304 122.798 120.400 0.156 0.000 2.340 5 D HA 0.088 4.728 4.640 0.000 0.000 0.220 5 D C 0.976 177.474 176.300 0.330 0.000 1.039 5 D CA 0.122 54.324 54.000 0.337 0.000 0.866 5 D CB -0.001 41.050 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.312 116.096 115.700 0.139 0.000 2.549 6 S HA 0.045 4.515 4.470 0.000 0.000 0.283 6 S C 1.374 176.021 174.600 0.080 0.000 1.320 6 S CA -0.648 57.595 58.200 0.073 0.000 1.058 6 S CB 1.068 64.283 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.147 125.400 121.223 0.051 0.000 1.997 7 L HA -0.128 4.212 4.340 0.000 0.000 0.216 7 L C 3.017 179.904 176.870 0.030 0.000 1.074 7 L CA 2.600 57.477 54.840 0.061 0.000 0.763 7 L CB -1.792 40.262 42.059 -0.009 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.380 121.446 122.820 0.010 0.000 1.940 8 A HA -0.237 4.083 4.320 0.000 0.000 0.221 8 A C 2.490 180.070 177.584 -0.006 0.000 1.190 8 A CA 2.433 54.473 52.037 0.005 0.000 0.647 8 A CB -1.062 17.938 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.911 118.990 119.914 -0.022 0.000 2.273 9 V HA -0.164 3.956 4.120 0.000 0.000 0.242 9 V C 2.572 178.596 176.094 -0.117 0.000 1.035 9 V CA 1.720 63.985 62.300 -0.058 0.000 1.013 9 V CB -0.392 31.401 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.686 120.501 119.914 -0.165 0.000 2.231 10 V HA -0.306 3.814 4.120 0.000 0.000 0.250 10 V C 2.188 178.169 176.094 -0.188 0.000 1.058 10 V CA 2.342 64.434 62.300 -0.347 0.000 1.022 10 V CB -0.757 30.800 31.823 -0.444 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.350 121.566 121.223 -0.012 0.000 2.633 11 L HA -0.124 4.216 4.340 0.000 0.000 0.235 11 L C 2.385 179.335 176.870 0.133 0.000 1.163 11 L CA 0.815 55.791 54.840 0.226 0.000 0.859 11 L CB -0.799 41.431 42.059 0.286 0.000 0.973 11 L HN 0.432 nan 8.230 nan 0.000 0.451 12 Q N 1.044 120.844 119.800 -0.000 0.000 2.079 12 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 12 Q C 2.312 178.253 176.000 -0.098 0.000 0.974 12 Q CA 1.494 57.276 55.803 -0.035 0.000 0.840 12 Q CB -0.045 28.661 28.738 -0.054 0.000 0.898 12 Q HN 0.223 nan 8.270 nan 0.000 0.430 13 R N 0.370 120.788 120.500 -0.136 0.000 2.105 13 R HA -0.006 4.334 4.340 0.000 0.000 0.239 13 R C 0.340 176.444 176.300 -0.327 0.000 1.135 13 R CA 1.157 57.141 56.100 -0.193 0.000 0.967 13 R CB -0.264 29.922 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.750 120.944 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 0.000 0.000 0.257 14 R C -0.051 175.693 176.300 -0.926 0.000 1.014 14 R CA 0.412 55.734 56.100 -1.296 0.000 0.681 14 R CB -1.206 28.543 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.278 119.802 120.400 -0.533 0.000 2.182 15 D HA -0.191 4.449 4.640 0.000 0.000 0.201 15 D C 1.606 177.850 176.300 -0.092 0.000 0.986 15 D CA 1.841 55.629 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.232 40.800 -0.692 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.592 122.931 121.300 0.064 0.000 3.204 16 W HA 0.134 4.794 4.660 0.000 0.000 0.249 16 W C 0.458 177.092 176.519 0.191 0.000 1.322 16 W CA -0.116 57.367 57.345 0.229 0.000 1.593 16 W CB -0.244 29.380 29.460 0.275 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.944 120.974 120.200 -0.284 0.000 2.995 17 E HA 0.058 4.408 4.350 0.000 0.000 0.203 17 E C -0.773 175.719 176.600 -0.179 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.179 29.474 29.700 -0.078 0.000 1.088 17 E HN 0.094 nan 8.360 nan 0.000 0.463 18 N N 1.225 119.838 118.700 -0.144 0.000 2.594 18 N HA 0.136 4.876 4.740 0.000 0.000 0.280 18 N C -2.243 173.149 175.510 -0.197 0.000 1.156 18 N CA -1.950 50.980 53.050 -0.199 0.000 0.831 18 N CB 1.480 39.853 38.487 -0.190 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.047 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.247 177.300 -0.380 0.000 1.144 19 P CA 1.059 63.834 63.100 -0.541 0.000 0.800 19 P CB 0.131 31.064 31.700 -1.278 0.000 0.772 20 G N -0.595 108.020 108.800 -0.309 0.000 2.484 20 G HA2 0.001 3.961 3.960 0.000 0.000 0.218 20 G HA3 0.001 3.961 3.960 0.000 0.000 0.218 20 G C 0.355 175.184 174.900 -0.118 0.000 1.130 20 G CA 0.208 45.182 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.222 121.088 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 0.000 0.000 0.285 21 V C 0.854 177.016 176.094 0.114 0.000 1.014 21 V CA 0.183 62.492 62.300 0.014 0.000 0.831 21 V CB 1.310 33.137 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.753 115.362 114.554 0.091 0.000 3.003 22 T HA 0.355 4.705 4.350 0.000 0.000 0.261 22 T C 0.235 174.962 174.700 0.044 0.000 1.003 22 T CA 0.234 62.382 62.100 0.080 0.000 0.917 22 T CB 0.401 69.274 68.868 0.009 0.000 1.084 22 T HN 0.704 nan 8.240 nan 0.000 0.522 23 Q N 0.395 120.268 119.800 0.121 0.000 2.687 23 Q HA 0.702 5.042 4.340 0.000 0.000 0.295 23 Q C -2.252 173.877 176.000 0.214 0.000 0.920 23 Q CA -1.064 54.799 55.803 0.100 0.000 0.766 23 Q CB 0.980 29.701 28.738 -0.030 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.730 123.101 121.223 0.247 0.000 2.528 24 L HA 0.560 4.900 4.340 0.000 0.000 0.267 24 L C -0.747 176.267 176.870 0.239 0.000 0.961 24 L CA -0.842 54.160 54.840 0.270 0.000 0.866 24 L CB 1.921 44.244 42.059 0.440 0.000 1.248 24 L HN 0.859 nan 8.230 nan 0.000 0.404 25 N N 0.886 119.685 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 0.000 0.000 0.251 25 N C 0.180 175.768 175.510 0.131 0.000 1.112 25 N CA 0.816 53.962 53.050 0.160 0.000 0.750 25 N CB -0.767 37.808 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.163 121.614 120.500 -0.081 0.000 2.390 26 R HA 0.401 4.741 4.340 0.000 0.000 0.291 26 R C 0.773 176.901 176.300 -0.286 0.000 1.070 26 R CA -0.443 55.339 56.100 -0.529 0.000 1.014 26 R CB 0.611 30.602 30.300 -0.516 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.573 123.614 121.223 -0.303 0.000 2.456 27 L HA 0.280 4.620 4.340 0.000 0.000 0.246 27 L C 0.751 177.577 176.870 -0.073 0.000 1.238 27 L CA -0.508 54.266 54.840 -0.111 0.000 0.826 27 L CB 0.227 42.262 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.241 123.067 122.820 0.010 0.000 2.322 28 A HA 0.615 4.935 4.320 0.000 0.000 0.269 28 A C 0.105 177.752 177.584 0.105 0.000 1.094 28 A CA -0.175 51.886 52.037 0.039 0.000 0.807 28 A CB 0.547 19.587 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.825 123.661 122.820 0.027 0.000 2.332 29 A HA 0.692 5.012 4.320 0.000 0.000 0.258 29 A C 0.065 177.644 177.584 -0.008 0.000 1.087 29 A CA 0.565 52.559 52.037 -0.071 0.000 0.802 29 A CB -0.112 18.817 19.000 -0.118 0.000 1.042 29 A HN 2.036 nan 8.150 nan 0.000 0.489 30 H N -2.453 116.531 119.070 -0.144 0.000 2.921 30 H HA 0.545 5.101 4.556 0.000 0.000 0.287 30 H C -3.418 171.683 175.328 -0.378 0.000 1.434 30 H CA -1.510 54.409 56.048 -0.216 0.000 1.178 30 H CB 0.065 29.705 29.762 -0.204 0.000 1.836 30 H HN 0.428 nan 8.280 nan 0.000 0.495 31 P HA 0.208 nan 4.420 nan 0.000 0.272 31 P C -2.609 174.402 177.300 -0.482 0.000 1.240 31 P CA -1.525 61.347 63.100 -0.380 0.000 0.791 31 P CB -0.407 31.055 31.700 -0.396 0.000 0.978 32 P HA 0.072 nan 4.420 nan 0.000 0.261 32 P C -0.769 176.539 177.300 0.013 0.000 1.183 32 P CA 1.007 64.016 63.100 -0.153 0.000 0.761 32 P CB -0.182 31.514 31.700 -0.006 0.000 0.785 33 F N 1.237 121.317 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 0.000 0.000 0.325 33 F C 1.138 176.917 175.800 -0.036 0.000 1.066 33 F CA -0.963 57.111 58.000 0.123 0.000 0.946 33 F CB 1.997 41.031 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.254 123.093 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 0.000 0.000 0.199 34 A C 0.879 178.250 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.402 52.037 -0.410 0.000 1.018 34 A CB -0.064 18.118 19.000 -1.364 0.000 1.117 34 A HN 0.821 nan 8.150 nan 0.000 0.480 35 S N -0.599 115.004 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 0.000 0.000 0.329 35 S C 0.018 174.596 174.600 -0.036 0.000 1.104 35 S CA 0.389 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.850 61.252 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.123 122.427 121.300 0.007 0.000 2.226 36 W HA 0.115 4.775 4.660 0.000 0.000 0.352 36 W C 1.584 178.102 176.519 -0.002 0.000 1.277 36 W CA -0.007 57.347 57.345 0.014 0.000 1.305 36 W CB 0.104 29.571 29.460 0.013 0.000 1.193 36 W HN 0.354 nan 8.180 nan 0.000 0.596 37 R N 1.221 121.890 120.500 0.282 0.000 2.535 37 R HA 0.084 4.424 4.340 0.000 0.000 0.323 37 R C 0.036 176.419 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.161 0.000 1.120 37 R CB 0.359 30.723 30.300 0.107 0.000 1.306 37 R HN 0.407 nan 8.270 nan 0.000 0.540 38 N N 0.897 119.699 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 0.000 0.000 0.291 38 N C 0.584 176.081 175.510 -0.021 0.000 1.079 38 N CA 0.168 53.262 53.050 0.073 0.000 0.893 38 N CB 2.112 40.636 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.251 118.918 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 0.000 0.000 0.225 39 S C 1.297 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.339 59.461 58.200 -0.131 0.000 1.074 39 S CB -0.332 62.824 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.249 121.332 120.200 -0.196 0.000 2.086 40 E HA -0.178 4.172 4.350 0.000 0.000 0.200 40 E C 2.223 178.649 176.600 -0.290 0.000 1.012 40 E CA 1.687 57.941 56.400 -0.243 0.000 0.812 40 E CB -0.621 28.986 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.211 120.272 120.200 -0.233 0.000 2.038 41 E HA -0.193 4.157 4.350 0.000 0.000 0.195 41 E C 2.055 178.235 176.600 -0.700 0.000 1.000 41 E CA 1.167 57.440 56.400 -0.213 0.000 0.803 41 E CB -0.157 29.602 29.700 0.099 0.000 0.750 41 E HN 0.232 nan 8.360 nan 0.000 0.448 42 A N 1.580 123.585 122.820 -1.358 0.000 1.877 42 A HA -0.236 4.084 4.320 0.000 0.000 0.216 42 A C 2.121 179.064 177.584 -1.068 0.000 1.186 42 A CA 1.803 52.488 52.037 -2.254 0.000 0.620 42 A CB -0.582 17.532 19.000 -1.476 0.000 0.822 42 A HN 0.136 nan 8.150 nan 0.000 0.443 43 R N -0.108 119.990 120.500 -0.670 0.000 2.127 43 R HA -0.136 4.204 4.340 0.000 0.000 0.238 43 R C 1.452 177.510 176.300 -0.403 0.000 1.134 43 R CA 2.072 57.865 56.100 -0.512 0.000 0.975 43 R CB -0.419 29.522 30.300 -0.598 0.000 0.865 43 R HN 0.593 nan 8.270 nan 0.000 0.447 44 T N -2.783 111.561 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 0.000 0.000 0.260 44 T C -0.005 174.637 174.700 -0.096 0.000 1.027 44 T CA 0.121 62.102 62.100 -0.198 0.000 0.913 44 T CB 0.265 69.041 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.477 121.798 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 0.000 0.000 0.236 45 D C 0.340 176.790 176.300 0.251 0.000 1.138 45 D CA 0.394 54.464 54.000 0.116 0.000 0.676 45 D CB -0.619 40.262 40.800 0.136 0.000 1.069 45 D HN 0.504 nan 8.370 nan 0.000 0.430 46 R N -0.365 120.300 120.500 0.275 0.000 2.745 46 R HA 0.559 4.899 4.340 0.000 0.000 0.251 46 R C -2.083 174.484 176.300 0.445 0.000 1.257 46 R CA -0.940 55.345 56.100 0.308 0.000 1.102 46 R CB -0.375 30.059 30.300 0.224 0.000 1.151 46 R HN 0.136 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.985 176.360 177.300 0.074 0.000 1.337 47 P CA -0.420 62.772 63.100 0.155 0.000 0.889 47 P CB 1.681 33.443 31.700 0.102 0.000 1.050 48 S N 1.846 117.448 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 0.000 0.000 0.284 48 S C 1.048 175.610 174.600 -0.064 0.000 1.192 48 S CA -0.453 57.597 58.200 -0.249 0.000 1.070 48 S CB 0.592 63.356 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.348 122.165 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.288 4.340 0.000 0.000 0.206 49 Q C 0.928 177.072 176.000 0.240 0.000 0.963 49 Q CA 0.521 56.401 55.803 0.128 0.000 0.894 49 Q CB -0.163 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.783 nan 8.270 nan 0.000 0.475 50 Q N 0.529 120.399 119.800 0.116 0.000 2.444 50 Q HA 0.115 4.455 4.340 0.000 0.000 0.206 50 Q C 0.150 176.201 176.000 0.085 0.000 0.948 50 Q CA 0.226 56.076 55.803 0.078 0.000 0.946 50 Q CB -0.056 28.624 28.738 -0.096 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.006 122.298 121.223 0.115 0.000 2.343 51 L HA 0.481 4.821 4.340 0.000 0.000 0.278 51 L C -1.171 175.783 176.870 0.140 0.000 0.996 51 L CA -0.390 54.505 54.840 0.093 0.000 0.831 51 L CB 1.533 43.567 42.059 -0.042 0.000 1.232 51 L HN -0.111 nan 8.230 nan 0.000 0.413 52 R N 2.729 123.334 120.500 0.175 0.000 2.575 52 R HA 0.469 4.809 4.340 0.000 0.000 0.293 52 R C -1.045 175.288 176.300 0.055 0.000 0.983 52 R CA -0.544 55.625 56.100 0.116 0.000 0.887 52 R CB 2.269 32.653 30.300 0.140 0.000 1.184 52 R HN 0.707 nan 8.270 nan 0.000 0.445 53 S N 3.146 118.866 115.700 0.034 0.000 2.562 53 S HA 0.308 4.778 4.470 0.000 0.000 0.275 53 S C 0.858 175.472 174.600 0.023 0.000 1.281 53 S CA -0.528 57.686 58.200 0.023 0.000 1.045 53 S CB 0.565 63.786 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.492 124.739 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 0.000 0.000 0.252 54 L C 0.081 177.154 176.870 0.338 0.000 1.195 54 L CA -0.316 54.588 54.840 0.107 0.000 1.003 54 L CB -0.507 41.589 42.059 0.062 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.694 120.510 118.700 0.194 0.000 2.513 55 N HA 0.481 5.221 4.740 0.000 0.000 0.268 55 N C 0.641 176.296 175.510 0.243 0.000 1.180 55 N CA 0.756 53.919 53.050 0.188 0.000 0.948 55 N CB 1.791 40.320 38.487 0.069 0.000 1.083 55 N HN 0.337 nan 8.380 nan 0.000 0.455 56 G N 0.924 109.908 108.800 0.307 0.000 2.403 56 G HA2 -0.050 3.910 3.960 0.000 0.000 0.223 56 G HA3 -0.050 3.910 3.960 0.000 0.000 0.223 56 G C -1.377 173.777 174.900 0.424 0.000 1.287 56 G CA -0.766 44.504 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.411 119.980 120.200 0.320 0.000 2.338 57 E HA 0.516 4.866 4.350 0.000 0.000 0.272 57 E C -1.060 175.792 176.600 0.420 0.000 1.029 57 E CA 0.040 56.628 56.400 0.314 0.000 0.872 57 E CB 0.773 30.573 29.700 0.167 0.000 1.015 57 E HN 0.389 nan 8.360 nan 0.000 0.417 58 W N 1.398 122.773 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 -0.000 0.000 0.347 58 W C -0.570 176.050 176.519 0.169 0.000 1.219 58 W CA -0.689 56.759 57.345 0.171 0.000 1.142 58 W CB 1.004 30.614 29.460 0.249 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.603 122.361 120.500 0.430 0.000 2.460 59 R HA 0.643 4.983 4.340 0.000 0.000 0.303 59 R C -1.520 174.970 176.300 0.317 0.000 0.968 59 R CA -0.835 55.448 56.100 0.304 0.000 0.889 59 R CB 1.991 32.412 30.300 0.201 0.000 1.123 59 R HN 0.369 nan 8.270 nan 0.000 0.455 60 F N 1.123 121.072 119.950 -0.002 0.000 2.563 60 F HA 0.698 5.225 4.527 0.000 0.000 0.316 60 F C -1.386 174.264 175.800 -0.250 0.000 1.076 60 F CA -0.682 57.174 58.000 -0.240 0.000 0.921 60 F CB 2.088 40.803 39.000 -0.476 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.473 126.336 122.820 -1.595 0.000 2.517 61 A HA 0.522 4.842 4.320 0.000 0.000 0.297 61 A C -2.421 174.282 177.584 -1.468 0.000 1.050 61 A CA -0.519 50.784 52.037 -1.224 0.000 0.694 61 A CB 0.525 19.220 19.000 -0.509 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.645 123.169 121.300 -1.295 0.000 2.551 62 W HA 0.779 5.439 4.660 0.000 0.000 0.330 62 W C -1.900 174.141 176.519 -0.796 0.000 1.063 62 W CA -0.438 56.365 57.345 -0.903 0.000 1.222 62 W CB 1.205 30.320 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.787 125.092 119.950 -1.075 0.000 2.578 63 F HA 0.335 4.862 4.527 0.000 0.000 0.311 63 F C -1.389 173.538 175.800 -1.454 0.000 1.094 63 F CA -2.670 54.816 58.000 -0.857 0.000 0.923 63 F CB 1.478 40.156 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.027 nan 4.420 nan 0.000 0.225 64 P C -0.185 177.015 177.300 -0.167 0.000 1.148 64 P CA 1.117 64.034 63.100 -0.304 0.000 0.779 64 P CB 0.548 32.317 31.700 0.115 0.000 0.780 65 A N -1.239 121.484 122.820 -0.162 0.000 2.599 65 A HA 0.503 4.823 4.320 0.000 0.000 0.294 65 A C -2.411 175.071 177.584 -0.170 0.000 1.055 65 A CA -1.003 50.969 52.037 -0.107 0.000 0.683 65 A CB 0.490 19.489 19.000 -0.001 0.000 1.278 65 A HN -0.289 nan 8.150 nan 0.000 0.412 66 P HA -0.145 nan 4.420 nan 0.000 0.215 66 P C 0.891 178.079 177.300 -0.185 0.000 1.153 66 P CA 1.773 64.724 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.724 31.700 -0.291 0.000 0.788 67 E N 0.712 120.868 120.200 -0.073 0.000 2.070 67 E HA -0.166 4.184 4.350 0.000 0.000 0.197 67 E C 2.271 178.830 176.600 -0.068 0.000 1.004 67 E CA 1.758 58.140 56.400 -0.031 0.000 0.805 67 E CB -1.285 28.433 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.114 123.900 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 0.000 0.000 0.221 68 A C 0.995 178.466 177.584 -0.188 0.000 1.159 68 A CA 0.561 52.594 52.037 -0.006 0.000 0.662 68 A CB -0.600 18.492 19.000 0.154 0.000 0.796 68 A HN 0.078 nan 8.150 nan 0.000 0.463 69 V N 1.968 121.597 119.914 -0.475 0.000 2.655 69 V HA 0.209 4.329 4.120 0.000 0.000 0.300 69 V C -2.068 173.845 176.094 -0.302 0.000 1.044 69 V CA -1.197 60.654 62.300 -0.747 0.000 1.095 69 V CB 0.635 31.898 31.823 -0.934 0.000 0.952 69 V HN 0.352 nan 8.190 nan 0.000 0.485 70 P HA 0.337 nan 4.420 nan 0.000 0.296 70 P C 0.390 177.681 177.300 -0.016 0.000 1.306 70 P CA -0.547 62.523 63.100 -0.050 0.000 0.818 70 P CB 1.641 33.357 31.700 0.027 0.000 0.969 71 E N 1.872 122.055 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 0.000 0.000 0.202 71 E C 1.633 178.201 176.600 -0.053 0.000 1.016 71 E CA 2.415 58.786 56.400 -0.047 0.000 0.817 71 E CB -0.273 29.399 29.700 -0.046 0.000 0.736 71 E HN 0.453 nan 8.360 nan 0.000 0.462 72 S N -0.232 115.460 115.700 -0.013 0.000 2.400 72 S HA -0.224 4.246 4.470 0.000 0.000 0.232 72 S C 1.441 176.025 174.600 -0.027 0.000 1.025 72 S CA 1.046 59.236 58.200 -0.016 0.000 0.993 72 S CB -0.734 62.481 63.200 0.024 0.000 0.808 72 S HN 0.545 nan 8.310 nan 0.000 0.478 73 W N 2.730 123.941 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 0.000 0.000 0.301 73 W C 1.594 177.995 176.519 -0.196 0.000 1.220 73 W CA 1.044 58.290 57.345 -0.165 0.000 1.240 73 W CB -0.667 28.663 29.460 -0.217 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.046 120.962 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.126 4.340 0.000 0.000 0.209 74 L C 2.620 179.205 176.870 -0.474 0.000 1.083 74 L CA 1.521 55.938 54.840 -0.704 0.000 0.752 74 L CB -0.748 40.972 42.059 -0.565 0.000 0.899 74 L HN -0.066 nan 8.230 nan 0.000 0.433 75 E N -1.095 118.928 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 0.000 0.000 0.190 75 E C 0.346 176.853 176.600 -0.155 0.000 0.969 75 E CA 0.512 56.803 56.400 -0.181 0.000 0.812 75 E CB 0.111 29.745 29.700 -0.111 0.000 0.777 75 E HN 0.336 nan 8.360 nan 0.000 0.455 76 C N 1.545 120.770 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 0.000 0.000 0.308 76 C C -0.077 174.906 174.990 -0.012 0.000 1.201 76 C CA -1.327 57.653 59.018 -0.063 0.000 1.554 76 C CB 1.681 29.408 27.740 -0.022 0.000 2.117 76 C HN 0.232 nan 8.230 nan 0.000 0.480 77 D N 1.194 121.606 120.400 0.021 0.000 2.378 77 D HA 0.238 4.878 4.640 0.000 0.000 0.238 77 D C -0.048 176.329 176.300 0.128 0.000 1.180 77 D CA 0.421 54.486 54.000 0.108 0.000 0.895 77 D CB 0.607 41.458 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.228 123.551 121.223 0.168 0.000 2.439 78 L HA 0.203 4.543 4.340 0.000 0.000 0.259 78 L C -1.108 175.802 176.870 0.065 0.000 1.129 78 L CA -1.567 53.342 54.840 0.115 0.000 0.803 78 L CB 0.585 42.713 42.059 0.115 0.000 1.161 78 L HN 0.236 nan 8.230 nan 0.000 0.462 79 P HA -0.087 nan 4.420 nan 0.000 0.215 79 P C 0.574 177.884 177.300 0.018 0.000 1.157 79 P CA 1.058 64.175 63.100 0.027 0.000 0.856 79 P CB 0.160 31.872 31.700 0.020 0.000 0.786 80 E N 0.037 120.240 120.200 0.005 0.000 2.485 80 E HA 0.275 4.625 4.350 0.000 0.000 0.194 80 E C 0.707 177.292 176.600 -0.026 0.000 1.098 80 E CA -0.127 56.262 56.400 -0.018 0.000 0.878 80 E CB -0.681 28.992 29.700 -0.045 0.000 0.939 80 E HN 0.207 nan 8.360 nan 0.000 0.503 81 A N 1.131 123.951 122.820 -0.001 0.000 2.351 81 A HA 0.207 4.527 4.320 0.000 0.000 0.257 81 A C -0.094 177.514 177.584 0.040 0.000 1.087 81 A CA -0.426 51.611 52.037 -0.001 0.000 0.798 81 A CB 0.490 19.518 19.000 0.046 0.000 1.033 81 A HN 0.061 nan 8.150 nan 0.000 0.488 82 D N 0.003 120.448 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 0.000 0.000 0.243 82 D C -0.746 175.640 176.300 0.143 0.000 0.982 82 D CA -0.098 53.977 54.000 0.125 0.000 0.924 82 D CB 1.741 42.669 40.800 0.214 0.000 1.238 82 D HN 0.419 nan 8.370 nan 0.000 0.484 83 T N 0.874 115.498 114.554 0.118 0.000 2.799 83 T HA 0.473 4.823 4.350 0.000 0.000 0.286 83 T C -0.124 174.644 174.700 0.114 0.000 0.973 83 T CA -0.389 61.788 62.100 0.128 0.000 1.035 83 T CB 1.051 69.977 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.249 123.258 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 0.000 0.000 0.311 84 V C -0.383 175.809 176.094 0.164 0.000 1.138 84 V CA -0.954 61.404 62.300 0.098 0.000 1.007 84 V CB 2.440 34.314 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.383 122.361 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 0.000 0.000 0.284 85 V C -0.204 175.941 176.094 0.085 0.000 1.047 85 V CA -0.379 61.994 62.300 0.122 0.000 0.952 85 V CB 1.552 33.422 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.043 126.952 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 0.000 0.000 0.302 86 V C -2.245 173.758 176.094 -0.152 0.000 1.035 86 V CA -1.571 60.603 62.300 -0.210 0.000 0.873 86 V CB 2.656 34.024 31.823 -0.759 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.656 nan 4.420 nan 0.000 0.281 87 P C -0.989 176.268 177.300 -0.072 0.000 1.264 87 P CA -0.371 62.636 63.100 -0.154 0.000 0.824 87 P CB 1.845 33.455 31.700 -0.150 0.000 1.092 88 S N -0.557 115.125 115.700 -0.030 0.000 2.656 88 S HA 0.386 4.856 4.470 0.000 0.000 0.265 88 S C -1.522 173.065 174.600 -0.021 0.000 1.110 88 S CA -0.995 57.185 58.200 -0.032 0.000 0.821 88 S CB 0.006 63.212 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.980 119.589 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 0.000 0.000 0.283 89 N C 0.387 175.769 175.510 -0.215 0.000 1.003 89 N CA -0.733 52.192 53.050 -0.207 0.000 0.892 89 N CB 0.795 39.102 38.487 -0.300 0.000 1.193 89 N HN 0.827 nan 8.380 nan 0.000 0.487 90 W N 2.741 123.925 121.300 -0.194 0.000 2.392 90 W HA -0.061 4.599 4.660 0.000 0.000 0.279 90 W C 0.864 177.370 176.519 -0.023 0.000 1.225 90 W CA 0.905 58.147 57.345 -0.170 0.000 1.233 90 W CB -0.369 28.905 29.460 -0.310 0.000 1.122 90 W HN 0.485 nan 8.180 nan 0.000 0.561 91 Q N 0.418 120.217 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 4.340 0.000 0.000 0.206 91 Q C 1.981 177.957 176.000 -0.039 0.000 0.976 91 Q CA 1.519 57.343 55.803 0.035 0.000 0.875 91 Q CB -0.686 27.950 28.738 -0.171 0.000 0.927 91 Q HN 0.212 nan 8.270 nan 0.000 0.450 92 M N -0.780 118.717 119.600 -0.172 0.000 2.630 92 M HA -0.043 4.437 4.480 0.000 0.000 0.254 92 M C 0.326 176.558 176.300 -0.113 0.000 1.092 92 M CA 1.229 56.393 55.300 -0.227 0.000 1.087 92 M CB -0.540 31.846 32.600 -0.357 0.000 1.453 92 M HN 0.329 nan 8.290 nan 0.000 0.509 93 H N -1.754 117.376 119.070 0.101 0.000 2.581 93 H HA 0.381 4.937 4.556 0.000 0.000 0.275 93 H C 1.275 176.510 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.180 56.048 0.054 0.000 1.097 93 H CB 0.540 30.465 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.581 109.402 108.800 0.036 0.000 2.199 94 G HA2 -0.425 3.535 3.960 0.000 0.000 0.254 94 G HA3 -0.425 3.535 3.960 0.000 0.000 0.254 94 G C 0.632 175.433 174.900 -0.165 0.000 0.982 94 G CA 0.627 45.664 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.999 122.320 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.710 4.550 0.000 0.000 0.284 95 Y C 1.760 177.451 175.900 -0.349 0.000 1.166 95 Y CA 1.749 59.735 58.100 -0.190 0.000 1.163 95 Y CB -0.188 38.157 38.460 -0.191 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.581 117.940 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 0.000 0.000 0.327 96 D C -1.183 175.236 176.300 0.198 0.000 1.302 96 D CA -0.700 53.418 54.000 0.196 0.000 0.897 96 D CB 0.651 41.717 40.800 0.444 0.000 1.420 96 D HN 0.031 nan 8.370 nan 0.000 0.494 97 A N -0.294 122.644 122.820 0.196 0.000 2.327 97 A HA 0.685 5.005 4.320 0.000 0.000 0.283 97 A C -2.401 175.231 177.584 0.081 0.000 1.127 97 A CA -1.058 51.072 52.037 0.154 0.000 0.810 97 A CB 0.015 19.151 19.000 0.227 0.000 1.066 97 A HN 0.479 nan 8.150 nan 0.000 0.492 98 P HA 0.569 nan 4.420 nan 0.000 0.286 98 P C -1.049 176.381 177.300 0.216 0.000 1.261 98 P CA -0.200 62.842 63.100 -0.097 0.000 0.821 98 P CB 0.968 32.345 31.700 -0.538 0.000 1.013 99 I N 2.381 123.173 120.570 0.369 0.000 2.474 99 I HA 0.320 4.490 4.170 0.000 0.000 0.294 99 I C -0.443 175.891 176.117 0.361 0.000 1.005 99 I CA -0.809 60.723 61.300 0.387 0.000 1.113 99 I CB 1.471 39.619 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.390 125.683 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 0.000 0.000 0.328 100 Y C -0.343 175.417 175.900 -0.234 0.000 0.995 100 Y CA -0.291 57.515 58.100 -0.490 0.000 1.283 100 Y CB 0.904 38.414 38.460 -1.584 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.178 118.213 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 0.000 0.000 0.288 101 T C 0.371 174.588 174.700 -0.805 0.000 1.021 101 T CA -0.541 61.094 62.100 -0.775 0.000 1.000 101 T CB 1.415 70.059 68.868 -0.373 0.000 1.034 101 T HN 0.870 nan 8.240 nan 0.000 0.467 102 N N 2.029 120.332 118.700 -0.660 0.000 2.324 102 N HA 0.021 4.761 4.740 0.000 0.000 0.192 102 N C 1.359 176.618 175.510 -0.419 0.000 1.046 102 N CA 0.559 53.361 53.050 -0.414 0.000 0.898 102 N CB 0.261 38.528 38.487 -0.366 0.000 1.079 102 N HN 0.350 nan 8.380 nan 0.000 0.456 103 V N 0.396 119.988 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 0.000 0.000 0.239 103 V C 0.550 176.308 176.094 -0.560 0.000 1.077 103 V CA 0.661 62.541 62.300 -0.700 0.000 1.103 103 V CB -0.019 31.353 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.340 115.643 114.554 -0.418 0.000 2.867 104 T HA 0.129 4.479 4.350 0.000 0.000 0.297 104 T C -0.409 174.139 174.700 -0.253 0.000 0.989 104 T CA 0.359 62.287 62.100 -0.287 0.000 1.159 104 T CB -0.337 68.405 68.868 -0.211 0.000 0.928 104 T HN 0.189 nan 8.240 nan 0.000 0.538 105 Y N 4.791 124.989 120.300 -0.170 0.000 2.610 105 Y HA 0.109 4.659 4.550 0.000 0.000 0.332 105 Y C -0.999 174.770 175.900 -0.219 0.000 1.201 105 Y CA -1.862 56.125 58.100 -0.188 0.000 1.465 105 Y CB 0.397 38.747 38.460 -0.183 0.000 1.283 105 Y HN 0.560 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.186 177.301 177.300 -0.307 0.000 1.149 106 P CA 1.347 64.335 63.100 -0.187 0.000 0.817 106 P CB 0.174 31.738 31.700 -0.226 0.000 0.785 107 I N -4.525 115.780 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 0.000 0.000 0.310 107 I C -0.445 175.534 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.040 61.300 -0.447 0.000 1.023 107 I CB 1.280 38.839 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.348 116.810 114.554 -0.154 0.000 2.907 108 T HA 0.246 4.596 4.350 0.000 0.000 0.298 108 T C 0.123 174.813 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.656 62.100 -0.052 0.000 1.118 108 T CB 1.063 69.927 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.345 124.272 119.914 0.022 0.000 2.352 109 V HA 0.268 4.388 4.120 0.000 0.000 0.253 109 V C 0.652 176.810 176.094 0.105 0.000 1.083 109 V CA -0.268 62.075 62.300 0.072 0.000 0.993 109 V CB -0.615 31.238 31.823 0.050 0.000 1.111 109 V HN 0.863 nan 8.190 nan 0.000 0.490 110 N N 5.317 124.141 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 0.000 0.000 0.240 110 N C -2.975 172.620 175.510 0.142 0.000 1.537 110 N CA -1.183 51.975 53.050 0.180 0.000 0.793 110 N CB 1.463 40.106 38.487 0.261 0.000 1.391 110 N HN 0.284 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.348 174.653 177.300 -0.498 0.000 1.195 111 P CA -0.739 61.916 63.100 -0.741 0.000 0.768 111 P CB 0.371 31.375 31.700 -1.159 0.000 0.838 112 P HA 0.262 nan 4.420 nan 0.000 0.248 112 P C -0.744 176.419 177.300 -0.228 0.000 1.708 112 P CA -0.276 62.575 63.100 -0.415 0.000 1.062 112 P CB -0.285 31.184 31.700 -0.385 0.000 1.562 113 F N -0.365 119.720 119.950 0.225 0.000 2.404 113 F HA 0.292 4.819 4.527 0.000 0.000 0.345 113 F C 1.054 177.030 175.800 0.294 0.000 1.110 113 F CA -1.173 56.964 58.000 0.229 0.000 1.130 113 F CB 1.301 40.377 39.000 0.128 0.000 1.129 113 F HN -0.292 nan 8.300 nan 0.000 0.500 114 V N 4.213 124.424 119.914 0.496 0.000 2.863 114 V HA 0.344 4.464 4.120 0.000 0.000 0.307 114 V C -1.855 174.424 176.094 0.310 0.000 1.061 114 V CA -1.795 60.722 62.300 0.361 0.000 1.024 114 V CB 1.515 33.648 31.823 0.516 0.000 1.049 114 V HN 0.542 nan 8.190 nan 0.000 0.471 115 P HA 0.096 nan 4.420 nan 0.000 0.274 115 P C 0.802 178.256 177.300 0.257 0.000 1.231 115 P CA 0.049 63.258 63.100 0.181 0.000 0.790 115 P CB 0.604 32.370 31.700 0.109 0.000 0.951 116 T N -0.259 114.410 114.554 0.192 0.000 2.759 116 T HA -0.168 4.182 4.350 0.000 0.000 0.269 116 T C 0.314 175.128 174.700 0.190 0.000 1.042 116 T CA 1.259 63.472 62.100 0.188 0.000 1.140 116 T CB -0.638 68.306 68.868 0.126 0.000 0.864 116 T HN 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.820 123.136 120.200 0.194 0.000 1.963 117 E HA 0.428 4.778 4.350 0.000 0.000 0.274 117 E C -0.672 176.084 176.600 0.259 0.000 1.061 117 E CA -0.314 56.201 56.400 0.192 0.000 0.847 117 E CB 0.441 30.259 29.700 0.197 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.346 122.152 118.700 0.177 0.000 2.540 118 N HA 0.295 5.035 4.740 0.000 0.000 0.275 118 N C -2.818 172.667 175.510 -0.043 0.000 1.053 118 N CA -2.683 50.472 53.050 0.174 0.000 0.876 118 N CB 1.205 39.853 38.487 0.268 0.000 1.284 118 N HN -0.028 nan 8.380 nan 0.000 0.518 119 P HA -0.009 nan 4.420 nan 0.000 0.253 119 P C -0.722 176.456 177.300 -0.204 0.000 1.170 119 P CA 0.587 63.584 63.100 -0.172 0.000 0.806 119 P CB -0.042 31.842 31.700 0.307 0.000 0.775 120 T N 2.761 116.992 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.931 4.350 0.000 0.000 0.282 120 T C 0.598 174.883 174.700 -0.691 0.000 0.990 120 T CA -0.469 61.375 62.100 -0.426 0.000 1.028 120 T CB 1.530 70.155 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.975 109.515 108.800 -0.433 0.000 2.605 121 G HA2 0.487 4.447 3.960 0.000 0.000 0.304 121 G HA3 0.487 4.447 3.960 0.000 0.000 0.304 121 G C -0.379 174.461 174.900 -0.100 0.000 1.333 121 G CA -0.486 44.356 45.100 -0.429 0.000 0.973 121 G HN 0.904 nan 8.290 nan 0.000 0.507 122 C N 3.072 122.028 119.300 -0.575 0.000 2.246 122 C HA 0.513 4.973 4.460 0.000 0.000 0.329 122 C C -0.576 174.361 174.990 -0.089 0.000 1.221 122 C CA -1.139 57.528 59.018 -0.584 0.000 1.697 122 C CB -1.698 25.034 27.740 -1.680 0.000 2.312 122 C HN 0.595 nan 8.230 nan 0.000 0.509 123 Y N 1.697 122.211 120.300 0.356 0.000 2.387 123 Y HA 0.628 5.178 4.550 0.000 0.000 0.336 123 Y C 0.726 177.099 175.900 0.789 0.000 1.067 123 Y CA -0.513 57.955 58.100 0.613 0.000 1.114 123 Y CB 1.383 40.199 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.081 119.276 115.700 0.825 0.000 2.546 124 S HA 0.832 5.302 4.470 0.000 0.000 0.274 124 S C -1.557 173.124 174.600 0.135 0.000 1.121 124 S CA -0.884 57.604 58.200 0.481 0.000 0.887 124 S CB 2.341 65.779 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.831 121.986 121.223 -0.113 0.000 2.565 125 L HA 0.663 5.003 4.340 0.000 0.000 0.261 125 L C -1.534 175.304 176.870 -0.052 0.000 0.932 125 L CA 0.004 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.398 42.059 -1.422 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.301 119.843 114.554 -0.020 0.000 2.771 126 T HA 0.780 5.130 4.350 0.000 0.000 0.281 126 T C -0.883 173.909 174.700 0.154 0.000 0.982 126 T CA -0.080 62.055 62.100 0.058 0.000 0.978 126 T CB 0.616 69.463 68.868 -0.034 0.000 0.930 126 T HN 0.488 nan 8.240 nan 0.000 0.447 127 F N 0.677 120.546 119.950 -0.135 0.000 2.741 127 F HA 0.693 5.220 4.527 0.000 0.000 0.313 127 F C -1.043 174.699 175.800 -0.096 0.000 1.153 127 F CA -1.509 56.417 58.000 -0.122 0.000 0.931 127 F CB 1.260 40.177 39.000 -0.139 0.000 1.335 127 F HN 0.272 nan 8.300 nan 0.000 0.460 128 N N -0.129 118.522 118.700 -0.081 0.000 2.466 128 N HA 0.750 5.490 4.740 0.000 0.000 0.294 128 N C -1.739 173.720 175.510 -0.085 0.000 1.129 128 N CA -0.620 52.339 53.050 -0.153 0.000 0.931 128 N CB 2.213 40.639 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.958 120.779 119.914 -0.155 0.000 2.577 129 V HA 0.260 4.380 4.120 0.000 0.000 0.303 129 V C -0.586 175.381 176.094 -0.211 0.000 1.042 129 V CA -1.031 61.170 62.300 -0.166 0.000 0.872 129 V CB 1.542 33.323 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.404 123.578 120.400 -0.376 0.000 2.455 130 D HA -0.012 4.628 4.640 0.000 0.000 0.241 130 D C 1.274 177.491 176.300 -0.139 0.000 1.138 130 D CA 0.180 54.009 54.000 -0.285 0.000 0.877 130 D CB 1.301 41.881 40.800 -0.367 0.000 1.187 130 D HN 0.821 nan 8.370 nan 0.000 0.451 131 E N 2.592 122.758 120.200 -0.057 0.000 2.274 131 E HA -0.204 4.146 4.350 0.000 0.000 0.194 131 E C 1.399 178.038 176.600 0.066 0.000 0.996 131 E CA 0.917 57.325 56.400 0.014 0.000 0.840 131 E CB -0.172 29.533 29.700 0.008 0.000 0.772 131 E HN 0.435 nan 8.360 nan 0.000 0.491 132 S N 0.336 116.069 115.700 0.055 0.000 2.380 132 S HA -0.205 4.265 4.470 0.000 0.000 0.229 132 S C 1.557 176.260 174.600 0.172 0.000 1.043 132 S CA 1.489 59.755 58.200 0.109 0.000 1.038 132 S CB -0.746 62.525 63.200 0.119 0.000 0.872 132 S HN 0.539 nan 8.310 nan 0.000 0.456 133 W N 1.213 122.381 121.300 -0.220 0.000 2.402 133 W HA 0.240 4.900 4.660 0.000 0.000 0.286 133 W C 2.274 178.750 176.519 -0.072 0.000 1.221 133 W CA 0.133 57.219 57.345 -0.431 0.000 1.257 133 W CB -0.962 28.268 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.274 121.090 121.223 0.235 0.000 2.291 134 L HA -0.188 4.152 4.340 0.000 0.000 0.214 134 L C 2.246 179.197 176.870 0.135 0.000 1.120 134 L CA 0.987 55.932 54.840 0.176 0.000 0.799 134 L CB -0.357 41.772 42.059 0.116 0.000 0.925 134 L HN 0.026 nan 8.230 nan 0.000 0.446 135 Q N -0.323 119.550 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 0.000 0.000 0.219 135 Q C 0.898 176.960 176.000 0.103 0.000 0.975 135 Q CA 0.965 56.824 55.803 0.093 0.000 0.862 135 Q CB -0.114 28.671 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.673 120.945 120.200 0.120 0.000 2.292 136 E HA 0.399 4.749 4.350 0.000 0.000 0.258 136 E C 0.489 177.187 176.600 0.164 0.000 1.115 136 E CA 0.135 56.602 56.400 0.111 0.000 0.929 136 E CB 0.477 30.227 29.700 0.084 0.000 1.161 136 E HN 0.411 nan 8.360 nan 0.000 0.453 137 G N 0.597 109.419 108.800 0.036 0.000 2.645 137 G HA2 -0.228 3.732 3.960 0.000 0.000 0.239 137 G HA3 -0.228 3.732 3.960 0.000 0.000 0.239 137 G C -0.830 173.974 174.900 -0.160 0.000 1.331 137 G CA 0.242 45.250 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.573 118.972 119.800 -0.425 0.000 2.347 138 Q HA 0.644 4.984 4.340 0.000 0.000 0.271 138 Q C -1.323 174.533 176.000 -0.241 0.000 1.064 138 Q CA -0.454 55.213 55.803 -0.227 0.000 0.800 138 Q CB 1.981 30.637 28.738 -0.136 0.000 1.304 138 Q HN 0.651 nan 8.270 nan 0.000 0.438 139 T N 4.730 119.294 114.554 0.018 0.000 2.815 139 T HA 0.518 4.868 4.350 0.000 0.000 0.289 139 T C -0.750 174.029 174.700 0.133 0.000 1.000 139 T CA -0.643 61.526 62.100 0.115 0.000 0.958 139 T CB 0.680 69.746 68.868 0.330 0.000 0.944 139 T HN 0.640 nan 8.240 nan 0.000 0.442 140 R N 3.320 123.877 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 0.000 0.000 0.271 140 R C -1.258 175.107 176.300 0.109 0.000 0.994 140 R CA -0.974 55.197 56.100 0.118 0.000 0.945 140 R CB 1.673 32.028 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.657 123.296 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 0.000 0.000 0.301 141 I C -1.077 175.037 176.117 -0.006 0.000 0.992 141 I CA -1.466 59.844 61.300 0.018 0.000 1.162 141 I CB 1.600 39.599 38.000 -0.001 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.458 126.901 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 0.000 0.000 0.287 142 I C -1.360 174.491 176.117 -0.443 0.000 1.069 142 I CA -0.403 60.782 61.300 -0.193 0.000 1.056 142 I CB 1.862 39.804 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.333 124.282 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 0.000 0.000 0.367 143 F C 1.326 177.022 175.800 -0.173 0.000 1.115 143 F CA -0.431 57.496 58.000 -0.122 0.000 1.116 143 F CB 0.736 39.640 39.000 -0.159 0.000 1.230 143 F HN 0.469 nan 8.300 nan 0.000 0.484 144 D N 2.361 122.703 120.400 -0.097 0.000 2.264 144 D HA 0.056 4.696 4.640 0.000 0.000 0.208 144 D C 0.952 177.097 176.300 -0.258 0.000 0.966 144 D CA 0.906 54.801 54.000 -0.176 0.000 0.864 144 D CB 0.366 41.025 40.800 -0.236 0.000 0.933 144 D HN 0.663 nan 8.370 nan 0.000 0.499 145 G N -0.705 107.870 108.800 -0.376 0.000 2.617 145 G HA2 0.408 4.368 3.960 0.000 0.000 0.305 145 G HA3 0.408 4.368 3.960 0.000 0.000 0.305 145 G C -1.588 172.849 174.900 -0.772 0.000 1.436 145 G CA -0.526 44.179 45.100 -0.657 0.000 1.036 145 G HN -0.059 nan 8.290 nan 0.000 0.589 146 V N 2.430 122.126 119.914 -0.363 0.000 2.567 146 V HA 0.541 4.661 4.120 0.000 0.000 0.298 146 V C -0.803 175.341 176.094 0.084 0.000 1.047 146 V CA -1.167 60.992 62.300 -0.236 0.000 0.880 146 V CB 1.836 33.259 31.823 -0.666 0.000 1.009 146 V HN 0.782 nan 8.190 nan 0.000 0.429 147 N N 2.558 121.371 118.700 0.188 0.000 2.392 147 N HA 0.378 5.118 4.740 0.000 0.000 0.283 147 N C 0.709 176.179 175.510 -0.068 0.000 1.003 147 N CA 0.170 53.262 53.050 0.070 0.000 0.892 147 N CB 2.407 40.857 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.240 117.923 115.700 -0.028 0.000 2.514 148 S HA 0.509 4.979 4.470 0.000 0.000 0.223 148 S C 0.484 175.148 174.600 0.107 0.000 1.046 148 S CA 0.281 58.515 58.200 0.057 0.000 0.914 148 S CB 0.163 63.415 63.200 0.087 0.000 0.807 148 S HN 0.706 nan 8.310 nan 0.000 0.497 149 A N 0.716 123.611 122.820 0.123 0.000 2.566 149 A HA 0.849 5.169 4.320 0.000 0.000 0.292 149 A C -1.168 176.560 177.584 0.240 0.000 1.112 149 A CA -0.968 51.133 52.037 0.106 0.000 0.707 149 A CB 1.079 20.162 19.000 0.138 0.000 1.302 149 A HN 1.218 nan 8.150 nan 0.000 0.409 150 F N -0.987 118.829 119.950 -0.224 0.000 2.746 150 F HA 0.624 5.151 4.527 0.000 0.000 0.311 150 F C -1.463 174.324 175.800 -0.022 0.000 1.135 150 F CA -0.812 57.149 58.000 -0.065 0.000 0.954 150 F CB 0.874 39.811 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.941 121.186 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 0.000 0.000 0.343 151 H C -1.351 174.059 175.328 0.135 0.000 1.160 151 H CA -0.678 55.488 56.048 0.196 0.000 1.218 151 H CB 2.326 32.273 29.762 0.309 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.904 123.033 121.223 -0.157 0.000 2.455 152 L HA 0.408 4.748 4.340 0.000 0.000 0.264 152 L C -1.871 174.715 176.870 -0.474 0.000 0.968 152 L CA -0.507 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.871 43.789 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.031 125.303 121.300 -0.047 0.000 2.864 153 W HA 0.649 5.309 4.660 0.000 0.000 0.343 153 W C -1.163 175.288 176.519 -0.114 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.113 31.547 29.460 -0.044 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.735 124.117 119.300 0.137 0.000 2.446 154 C HA 0.294 4.754 4.460 0.000 0.000 0.329 154 C C 0.014 175.113 174.990 0.181 0.000 1.166 154 C CA -0.429 58.644 59.018 0.093 0.000 1.341 154 C CB -0.612 27.097 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.868 122.639 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 0.000 0.000 0.251 155 N C 1.010 176.581 175.510 0.103 0.000 1.031 155 N CA 2.013 55.110 53.050 0.078 0.000 0.720 155 N CB -1.287 37.246 38.487 0.077 0.000 0.930 155 N HN 1.895 nan 8.380 nan 0.000 0.543 156 G N -1.206 107.640 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 0.000 0.000 0.260 156 G C 0.232 175.309 174.900 0.296 0.000 0.987 156 G CA 0.662 45.801 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.729 120.013 120.500 0.402 0.000 2.297 157 R HA 0.432 4.772 4.340 0.000 0.000 0.308 157 R C -0.051 176.569 176.300 0.534 0.000 1.029 157 R CA -0.873 55.543 56.100 0.525 0.000 0.929 157 R CB 0.608 31.235 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.103 125.551 121.300 0.247 0.000 2.251 158 W HA 0.070 4.730 4.660 0.000 0.000 0.327 158 W C -0.067 176.287 176.519 -0.276 0.000 1.361 158 W CA 0.055 57.121 57.345 -0.465 0.000 1.234 158 W CB 0.626 29.838 29.460 -0.413 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.953 123.939 119.914 -1.547 0.000 2.840 159 V HA 0.585 4.705 4.120 0.000 0.000 0.234 159 V C 0.970 176.014 176.094 -1.750 0.000 1.159 159 V CA 0.848 62.339 62.300 -1.349 0.000 1.194 159 V CB -0.332 30.791 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.699 105.905 108.800 -1.994 0.000 2.489 160 G HA2 0.507 4.467 3.960 0.000 0.000 0.305 160 G HA3 0.507 4.467 3.960 0.000 0.000 0.305 160 G C -2.455 172.172 174.900 -0.455 0.000 1.311 160 G CA -0.263 44.119 45.100 -1.197 0.000 0.813 160 G HN 0.033 nan 8.290 nan 0.000 0.480 161 Y N -0.684 119.501 120.300 -0.192 0.000 2.588 161 Y HA 0.725 5.275 4.550 0.000 0.000 0.343 161 Y C -0.075 175.663 175.900 -0.269 0.000 1.065 161 Y CA -0.087 57.810 58.100 -0.339 0.000 1.038 161 Y CB 2.261 40.636 38.460 -0.142 0.000 1.297 161 Y HN 1.259 nan 8.280 nan 0.000 0.467 162 G N 3.092 111.113 108.800 -1.298 0.000 2.720 162 G HA2 0.575 4.535 3.960 0.000 0.000 0.295 162 G HA3 0.575 4.535 3.960 0.000 0.000 0.295 162 G C -2.229 172.215 174.900 -0.760 0.000 1.437 162 G CA -0.938 43.678 45.100 -0.807 0.000 0.886 162 G HN 0.620 nan 8.290 nan 0.000 0.509 163 Q N -0.216 119.386 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 0.000 0.000 0.293 163 Q C -1.401 174.595 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.797 31.503 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.122 120.312 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 0.000 0.000 0.238 164 D C -0.330 176.029 176.300 0.099 0.000 1.104 164 D CA 0.667 54.717 54.000 0.084 0.000 1.101 164 D CB -0.685 40.153 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.451 119.227 115.700 0.127 0.000 2.469 165 S HA -0.136 4.335 4.470 0.000 0.000 0.238 165 S C 1.635 176.353 174.600 0.196 0.000 0.998 165 S CA 0.690 58.994 58.200 0.172 0.000 0.957 165 S CB 0.157 63.458 63.200 0.169 0.000 0.764 165 S HN 0.559 nan 8.310 nan 0.000 0.514 166 R N 0.027 120.613 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 0.000 0.000 0.212 166 R C 0.042 176.397 176.300 0.092 0.000 0.897 166 R CA 0.095 56.278 56.100 0.139 0.000 1.056 166 R CB -0.066 30.337 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.337 122.593 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 0.000 0.000 0.266 167 L C -2.296 174.561 176.870 -0.022 0.000 1.011 167 L CA -2.412 52.433 54.840 0.009 0.000 0.818 167 L CB 1.841 43.899 42.059 -0.003 0.000 1.326 167 L HN -0.239 nan 8.230 nan 0.000 0.435 168 P HA 0.118 nan 4.420 nan 0.000 0.269 168 P C -1.119 176.167 177.300 -0.025 0.000 1.209 168 P CA -0.179 62.890 63.100 -0.052 0.000 0.776 168 P CB 0.876 32.508 31.700 -0.113 0.000 0.876 169 S N 1.416 117.159 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 0.000 0.000 0.304 169 S C -0.637 173.986 174.600 0.038 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.047 64.400 63.200 0.255 0.000 1.019 169 S HN 0.347 nan 8.310 nan 0.000 0.481 170 E N 1.912 121.932 120.200 -0.300 0.000 2.266 170 E HA 0.648 4.998 4.350 0.000 0.000 0.268 170 E C -1.515 174.772 176.600 -0.521 0.000 0.879 170 E CA -0.669 55.616 56.400 -0.192 0.000 0.762 170 E CB 1.691 31.374 29.700 -0.028 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.062 120.064 119.950 0.086 0.000 2.588 171 F HA 0.265 4.792 4.527 0.000 0.000 0.310 171 F C -0.207 175.616 175.800 0.039 0.000 1.082 171 F CA -1.304 56.721 58.000 0.041 0.000 0.929 171 F CB 1.195 40.187 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.176 122.730 120.400 0.258 0.000 2.336 172 D HA 0.238 4.878 4.640 0.000 0.000 0.249 172 D C 0.520 176.951 176.300 0.218 0.000 1.213 172 D CA 0.347 54.464 54.000 0.194 0.000 0.870 172 D CB 0.965 41.865 40.800 0.166 0.000 1.076 172 D HN 0.594 nan 8.370 nan 0.000 0.483 173 L N 2.531 123.880 121.223 0.211 0.000 2.477 173 L HA -0.052 4.288 4.340 0.000 0.000 0.220 173 L C 2.209 179.318 176.870 0.400 0.000 1.106 173 L CA -0.046 54.942 54.840 0.246 0.000 0.851 173 L CB -0.076 42.103 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.125 116.998 115.700 0.287 0.000 2.461 174 S HA -0.366 4.104 4.470 0.000 0.000 0.266 174 S C 1.789 176.514 174.600 0.208 0.000 1.138 174 S CA 2.128 60.462 58.200 0.224 0.000 1.146 174 S CB -0.316 62.973 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.002 121.950 122.820 0.220 0.000 2.278 175 A HA 0.419 4.739 4.320 0.000 0.000 0.212 175 A C 0.961 178.445 177.584 -0.166 0.000 1.213 175 A CA 0.147 52.161 52.037 -0.038 0.000 0.840 175 A CB -0.267 18.568 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.055 118.934 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 0.000 0.000 0.323 176 F C 0.468 176.300 175.800 0.053 0.000 1.091 176 F CA -0.678 57.356 58.000 0.058 0.000 1.192 176 F CB -0.034 39.004 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.819 123.208 121.223 0.278 0.000 2.417 177 L HA 0.422 4.762 4.340 0.000 0.000 0.268 177 L C 0.260 177.182 176.870 0.088 0.000 1.158 177 L CA -0.205 54.736 54.840 0.167 0.000 0.819 177 L CB 0.787 42.963 42.059 0.196 0.000 1.112 177 L HN 0.021 nan 8.230 nan 0.000 0.458 178 R N 1.256 121.769 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 0.000 0.000 0.271 178 R C -0.687 175.592 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.842 32.121 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.906 123.708 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 0.000 0.000 0.248 179 A C 0.943 178.477 177.584 -0.084 0.000 1.082 179 A CA 0.841 52.849 52.037 -0.047 0.000 0.785 179 A CB -0.119 18.863 19.000 -0.030 0.000 1.020 179 A HN 0.897 nan 8.150 nan 0.000 0.489 180 G N 0.807 109.543 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 0.000 0.000 0.277 180 G C 0.137 174.916 174.900 -0.202 0.000 1.155 180 G CA 0.363 45.385 45.100 -0.129 0.000 0.960 180 G HN 1.005 nan 8.290 nan 0.000 0.544 181 E N 2.408 122.494 120.200 -0.189 0.000 2.265 181 E HA 0.267 4.617 4.350 0.000 0.000 0.272 181 E C -0.064 176.335 176.600 -0.335 0.000 1.067 181 E CA -0.031 56.219 56.400 -0.249 0.000 0.900 181 E CB 0.010 29.612 29.700 -0.164 0.000 1.017 181 E HN 0.387 nan 8.360 nan 0.000 0.431 182 N N 3.085 121.414 118.700 -0.619 0.000 2.328 182 N HA 0.415 5.155 4.740 0.000 0.000 0.299 182 N C -0.759 174.430 175.510 -0.534 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.208 40.153 38.487 -0.903 0.000 1.366 182 N HN 0.287 nan 8.380 nan 0.000 0.493 183 R N 1.612 121.997 120.500 -0.191 0.000 2.538 183 R HA 0.422 4.762 4.340 0.000 0.000 0.292 183 R C -1.317 175.054 176.300 0.118 0.000 1.008 183 R CA -0.477 55.623 56.100 0.000 0.000 0.896 183 R CB 1.067 31.329 30.300 -0.064 0.000 1.187 183 R HN 0.509 nan 8.270 nan 0.000 0.440 184 L N 2.939 124.295 121.223 0.222 0.000 2.325 184 L HA 0.727 5.067 4.340 0.000 0.000 0.279 184 L C -0.075 176.883 176.870 0.147 0.000 1.054 184 L CA -0.916 54.048 54.840 0.207 0.000 0.804 184 L CB 1.813 44.020 42.059 0.247 0.000 1.200 184 L HN 0.665 nan 8.230 nan 0.000 0.436 185 A N 3.222 126.134 122.820 0.153 0.000 2.375 185 A HA 0.687 5.007 4.320 0.000 0.000 0.291 185 A C -0.870 177.025 177.584 0.519 0.000 1.160 185 A CA -0.441 51.627 52.037 0.053 0.000 0.747 185 A CB 1.335 19.758 19.000 -0.961 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.428 123.816 119.914 0.789 0.000 2.357 186 V HA 0.486 4.606 4.120 0.000 0.000 0.284 186 V C 0.113 176.708 176.094 0.834 0.000 1.018 186 V CA -0.313 62.432 62.300 0.740 0.000 0.841 186 V CB 1.344 33.425 31.823 0.430 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.119 126.211 119.600 0.821 0.000 2.088 187 M HA 0.601 5.081 4.480 0.000 0.000 0.346 187 M C -1.437 175.118 176.300 0.424 0.000 1.111 187 M CA -0.331 55.286 55.300 0.529 0.000 1.017 187 M CB 1.289 34.242 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.734 126.839 119.914 0.317 0.000 2.483 188 V HA 0.502 4.622 4.120 0.000 0.000 0.295 188 V C -0.207 176.038 176.094 0.251 0.000 1.035 188 V CA -0.775 61.704 62.300 0.298 0.000 0.896 188 V CB 1.569 33.590 31.823 0.330 0.000 0.986 188 V HN 0.816 nan 8.190 nan 0.000 0.447 189 L N 3.088 124.403 121.223 0.153 0.000 2.334 189 L HA 0.664 5.004 4.340 0.000 0.000 0.276 189 L C 1.193 178.026 176.870 -0.062 0.000 1.014 189 L CA -0.782 54.077 54.840 0.031 0.000 0.815 189 L CB 1.569 43.543 42.059 -0.142 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.604 121.966 120.500 -0.230 0.000 2.075 190 R HA -0.006 4.334 4.340 0.000 0.000 0.230 190 R C -0.279 175.637 176.300 -0.640 0.000 1.140 190 R CA 1.751 57.419 56.100 -0.720 0.000 0.928 190 R CB 0.064 29.590 30.300 -1.290 0.000 0.834 190 R HN 0.628 nan 8.270 nan 0.000 0.429 191 W N 0.295 121.649 121.300 0.091 0.000 2.449 191 W HA 0.320 4.980 4.660 -0.000 0.000 0.331 191 W C 0.061 176.689 176.519 0.182 0.000 1.119 191 W CA -0.788 56.621 57.345 0.106 0.000 1.240 191 W CB 1.312 30.837 29.460 0.108 0.000 1.251 191 W HN 0.083 nan 8.180 nan 0.000 0.576 192 S N -1.010 114.974 115.700 0.474 0.000 2.643 192 S HA 0.204 4.674 4.470 0.000 0.000 0.270 192 S C 0.063 174.915 174.600 0.420 0.000 1.166 192 S CA -0.511 57.975 58.200 0.477 0.000 0.815 192 S CB 1.232 64.671 63.200 0.398 0.000 1.139 192 S HN 0.614 nan 8.310 nan 0.000 0.472 193 D N 0.566 121.214 120.400 0.414 0.000 2.218 193 D HA 0.062 4.702 4.640 0.000 0.000 0.204 193 D C 1.840 178.434 176.300 0.490 0.000 0.976 193 D CA 1.196 55.473 54.000 0.461 0.000 0.853 193 D CB -0.799 40.160 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.099 109.111 108.800 0.352 0.000 2.462 194 G HA2 -0.302 3.658 3.960 0.000 0.000 0.220 194 G HA3 -0.302 3.658 3.960 0.000 0.000 0.220 194 G C 1.742 176.818 174.900 0.293 0.000 1.121 194 G CA 0.875 46.155 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.108 115.756 115.700 0.273 0.000 2.383 195 S HA -0.119 4.351 4.470 0.000 0.000 0.229 195 S C 1.955 176.654 174.600 0.166 0.000 1.030 195 S CA 0.940 59.265 58.200 0.208 0.000 1.002 195 S CB -0.424 62.897 63.200 0.202 0.000 0.829 195 S HN 0.562 nan 8.310 nan 0.000 0.467 196 Y N 1.132 121.527 120.300 0.159 0.000 2.483 196 Y HA 0.026 4.576 4.550 0.000 0.000 0.291 196 Y C 1.537 177.534 175.900 0.162 0.000 1.143 196 Y CA 0.619 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.218 38.155 38.460 -0.145 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.010 121.403 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 0.000 0.000 0.234 197 L C -0.004 177.009 176.870 0.237 0.000 1.156 197 L CA 0.370 55.355 54.840 0.241 0.000 0.946 197 L CB -0.006 42.190 42.059 0.228 0.000 1.216 197 L HN 0.204 nan 8.230 nan 0.000 0.493 198 E N -0.472 119.887 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 0.000 0.000 0.211 198 E C -0.444 176.279 176.600 0.204 0.000 1.034 198 E CA -0.095 56.446 56.400 0.235 0.000 1.341 198 E CB 0.470 30.300 29.700 0.217 0.000 1.202 198 E HN 0.019 nan 8.360 nan 0.000 0.447 199 D N 1.382 121.870 120.400 0.145 0.000 2.519 199 D HA 0.006 4.646 4.640 0.000 0.000 0.238 199 D C -0.221 176.083 176.300 0.007 0.000 1.192 199 D CA -0.010 53.964 54.000 -0.044 0.000 0.835 199 D CB 0.066 40.604 40.800 -0.437 0.000 0.975 199 D HN 0.083 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.399 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.410 4.340 0.000 0.000 0.276 200 Q C -0.037 176.085 176.000 0.202 0.000 1.022 200 Q CA 0.169 56.124 55.803 0.252 0.000 0.898 200 Q CB 0.556 29.578 28.738 0.473 0.000 1.246 200 Q HN 0.052 nan 8.270 nan 0.000 0.410 201 D N 3.393 123.943 120.400 0.251 0.000 2.489 201 D HA 0.137 4.777 4.640 0.000 0.000 0.237 201 D C -0.788 175.695 176.300 0.305 0.000 1.212 201 D CA 0.222 54.355 54.000 0.223 0.000 1.058 201 D CB -0.415 40.546 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.083 119.805 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 0.000 0.000 0.271 202 M C -1.204 175.202 176.300 0.177 0.000 1.265 202 M CA -1.212 54.158 55.300 0.118 0.000 0.817 202 M CB 1.145 33.719 32.600 -0.043 0.000 1.638 202 M HN -0.103 nan 8.290 nan 0.000 0.479 203 W N 1.969 123.356 121.300 0.145 0.000 2.216 203 W HA 0.392 5.052 4.660 0.000 0.000 0.326 203 W C 0.127 176.655 176.519 0.016 0.000 1.319 203 W CA -0.278 57.134 57.345 0.111 0.000 1.213 203 W CB 0.550 30.020 29.460 0.016 0.000 1.171 203 W HN 0.255 nan 8.180 nan 0.000 0.557 204 R N 4.998 125.683 120.500 0.307 0.000 2.204 204 R HA 0.401 4.741 4.340 0.000 0.000 0.341 204 R C -0.168 176.157 176.300 0.042 0.000 1.035 204 R CA -0.193 56.007 56.100 0.167 0.000 0.887 204 R CB 0.248 30.690 30.300 0.237 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.369 119.892 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 0.000 0.000 0.271 205 M C -0.136 175.852 176.300 -0.520 0.000 1.013 205 M CA -0.727 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.995 34.389 32.600 -0.343 0.000 1.585 205 M HN 0.659 nan 8.290 nan 0.000 0.569 206 S N -1.352 113.921 115.700 -0.711 0.000 2.611 206 S HA 0.849 5.319 4.470 0.000 0.000 0.270 206 S C -0.629 173.547 174.600 -0.707 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.840 0.000 0.826 206 S CB 1.445 63.956 63.200 -1.148 0.000 1.095 206 S HN 1.427 nan 8.310 nan 0.000 0.461 207 G N 0.243 108.837 108.800 -0.343 0.000 2.318 207 G HA2 0.156 4.117 3.960 0.000 0.000 0.367 207 G HA3 0.156 4.117 3.960 0.000 0.000 0.367 207 G C -1.508 173.385 174.900 -0.012 0.000 1.260 207 G CA -0.543 44.582 45.100 0.041 0.000 1.055 207 G HN 1.234 nan 8.290 nan 0.000 0.484 208 I N 2.162 122.614 120.570 -0.196 0.000 2.316 208 I HA 0.307 4.477 4.170 0.000 0.000 0.286 208 I C 1.013 177.010 176.117 -0.200 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.031 37.546 38.000 -0.705 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.984 123.803 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 0.000 0.000 0.302 209 F C 0.697 176.433 175.800 -0.107 0.000 1.097 209 F CA -0.526 57.378 58.000 -0.160 0.000 1.330 209 F CB 0.070 38.974 39.000 -0.161 0.000 1.084 209 F HN 0.120 nan 8.300 nan 0.000 0.578 210 R N 0.683 120.784 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 0.000 0.000 0.262 210 R C -1.002 175.135 176.300 -0.271 0.000 1.057 210 R CA -1.158 54.702 56.100 -0.401 0.000 0.981 210 R CB 0.561 30.610 30.300 -0.418 0.000 1.201 210 R HN -0.032 nan 8.270 nan 0.000 0.484 211 D N 0.779 121.081 120.400 -0.162 0.000 2.474 211 D HA 0.091 4.731 4.640 0.000 0.000 0.232 211 D C -0.274 175.922 176.300 -0.173 0.000 1.177 211 D CA 0.433 54.356 54.000 -0.129 0.000 0.876 211 D CB 0.403 41.164 40.800 -0.066 0.000 1.208 211 D HN 0.064 nan 8.370 nan 0.000 0.464 212 V N 0.925 120.745 119.914 -0.157 0.000 2.540 212 V HA 0.652 4.772 4.120 0.000 0.000 0.302 212 V C -0.143 175.858 176.094 -0.156 0.000 1.035 212 V CA -0.592 61.570 62.300 -0.231 0.000 0.873 212 V CB 1.608 33.307 31.823 -0.207 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.488 120.057 115.700 -0.219 0.000 2.625 213 S HA 0.827 5.297 4.470 0.000 0.000 0.271 213 S C -1.247 173.305 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.184 58.200 -0.106 0.000 0.820 213 S CB 1.923 65.090 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.300 122.541 121.223 0.030 0.000 2.386 214 L HA 0.697 5.037 4.340 0.000 0.000 0.271 214 L C -1.589 175.390 176.870 0.183 0.000 0.993 214 L CA -0.790 54.133 54.840 0.138 0.000 0.819 214 L CB 1.868 44.097 42.059 0.283 0.000 1.294 214 L HN 0.673 nan 8.230 nan 0.000 0.414 215 L N 2.394 123.684 121.223 0.112 0.000 2.409 215 L HA 0.489 4.829 4.340 0.000 0.000 0.272 215 L C -1.059 175.716 176.870 -0.159 0.000 0.980 215 L CA -0.287 54.551 54.840 -0.003 0.000 0.826 215 L CB 1.662 43.725 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.033 122.774 119.070 -0.548 0.000 2.556 216 H HA 0.582 5.138 4.556 0.000 0.000 0.310 216 H C -1.159 173.882 175.328 -0.478 0.000 1.057 216 H CA -0.143 55.416 56.048 -0.816 0.000 1.264 216 H CB 0.964 29.637 29.762 -1.815 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.426 125.332 120.400 -0.824 0.000 2.435 217 K HA 0.418 4.738 4.320 0.000 0.000 0.251 217 K C -2.741 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.461 53.490 56.287 -0.561 0.000 0.820 217 K CB 1.809 34.090 32.500 -0.365 0.000 1.292 217 K HN 0.415 nan 8.250 nan 0.000 0.436 218 P HA -0.011 nan 4.420 nan 0.000 0.271 218 P C 0.148 177.317 177.300 -0.219 0.000 1.233 218 P CA -0.099 62.851 63.100 -0.250 0.000 0.789 218 P CB 0.443 32.050 31.700 -0.156 0.000 0.951 219 T N -2.982 111.481 114.554 -0.152 0.000 2.942 219 T HA -0.019 4.331 4.350 0.000 0.000 0.265 219 T C 0.686 175.311 174.700 -0.125 0.000 1.062 219 T CA 1.181 63.207 62.100 -0.123 0.000 1.139 219 T CB -0.695 68.126 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.404 117.884 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 0.000 0.000 0.317 220 T C -0.339 174.269 174.700 -0.154 0.000 1.059 220 T CA -0.786 61.230 62.100 -0.140 0.000 0.954 220 T CB 0.713 69.505 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.780 122.472 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 0.000 0.000 0.302 221 Q C -1.031 174.849 176.000 -0.200 0.000 1.042 221 Q CA -1.172 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.400 29.987 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.756 123.183 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 0.000 0.000 0.289 222 I C 0.985 176.903 176.117 -0.332 0.000 1.083 222 I CA 0.111 61.278 61.300 -0.221 0.000 1.372 222 I CB 1.028 38.862 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.128 118.748 115.700 -0.134 0.000 2.503 223 S HA 0.128 4.598 4.470 0.000 0.000 0.217 223 S C 0.265 174.998 174.600 0.223 0.000 0.999 223 S CA -0.104 58.062 58.200 -0.058 0.000 0.914 223 S CB 0.239 63.425 63.200 -0.023 0.000 0.782 223 S HN 0.735 nan 8.310 nan 0.000 0.520 224 D N -0.610 119.965 120.400 0.292 0.000 2.766 224 D HA 0.440 5.080 4.640 0.000 0.000 0.244 224 D C -1.768 174.756 176.300 0.372 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.126 42.058 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.432 119.562 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 0.000 0.000 0.308 225 F C -1.538 174.289 175.800 0.044 0.000 1.118 225 F CA -0.785 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.409 40.418 39.000 0.016 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.002 120.075 119.070 0.004 0.000 2.768 226 H HA 0.788 5.344 4.556 0.000 0.000 0.371 226 H C -1.366 173.950 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.456 56.048 -0.119 0.000 1.165 226 H CB 2.687 32.400 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.166 121.127 119.914 0.078 0.000 2.815 227 V HA 0.827 4.947 4.120 0.000 0.000 0.314 227 V C -0.495 175.578 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.728 62.300 0.021 0.000 0.952 227 V CB 1.680 33.494 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.972 124.750 122.820 -0.069 0.000 2.547 228 A HA 0.831 5.151 4.320 0.000 0.000 0.297 228 A C -0.481 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.392 51.592 52.037 -0.089 0.000 0.688 228 A CB 2.034 21.006 19.000 -0.047 0.000 1.282 228 A HN 0.933 nan 8.150 nan 0.000 0.400 229 T N 0.037 114.493 114.554 -0.163 0.000 2.807 229 T HA 0.795 5.145 4.350 0.000 0.000 0.279 229 T C -0.377 174.156 174.700 -0.279 0.000 0.993 229 T CA -0.694 61.241 62.100 -0.275 0.000 0.970 229 T CB 1.263 69.927 68.868 -0.340 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.644 121.878 120.500 -0.444 0.000 2.740 230 R HA 0.768 5.108 4.340 0.000 0.000 0.282 230 R C -1.249 174.676 176.300 -0.625 0.000 0.969 230 R CA -0.747 55.162 56.100 -0.317 0.000 0.918 230 R CB 1.607 31.826 30.300 -0.134 0.000 1.175 230 R HN 0.555 nan 8.270 nan 0.000 0.464 231 F N 0.062 120.003 119.950 -0.014 0.000 2.640 231 F HA 0.360 4.887 4.527 0.000 0.000 0.324 231 F C 0.362 176.042 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.669 58.000 -0.101 0.000 0.965 231 F CB 0.849 39.709 39.000 -0.233 0.000 1.351 231 F HN 0.506 nan 8.300 nan 0.000 0.487 232 N N -0.209 118.488 118.700 -0.004 0.000 2.327 232 N HA 0.085 4.825 4.740 0.000 0.000 0.257 232 N C 0.487 175.849 175.510 -0.246 0.000 1.281 232 N CA -0.215 52.783 53.050 -0.086 0.000 0.942 232 N CB 0.079 38.537 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.558 118.741 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.414 4.640 0.000 0.000 0.208 233 D C 0.110 176.278 176.300 -0.221 0.000 0.977 233 D CA 1.347 55.237 54.000 -0.183 0.000 0.871 233 D CB -0.421 40.340 40.800 -0.066 0.000 0.925 233 D HN 0.752 nan 8.370 nan 0.000 0.485 234 D N -1.495 118.809 120.400 -0.161 0.000 2.513 234 D HA -0.002 4.638 4.640 0.000 0.000 0.222 234 D C 0.245 176.665 176.300 0.200 0.000 1.210 234 D CA -0.857 53.172 54.000 0.049 0.000 0.825 234 D CB -1.070 39.783 40.800 0.088 0.000 1.037 234 D HN 0.161 nan 8.370 nan 0.000 0.506 235 F N 0.713 120.722 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 0.000 0.000 0.289 235 F C 1.787 177.669 175.800 0.136 0.000 0.772 235 F CA 0.801 58.881 58.000 0.133 0.000 1.162 235 F CB -2.477 36.503 39.000 -0.033 0.000 1.382 235 F HN 0.210 nan 8.300 nan 0.000 0.406 236 S N -0.413 115.397 115.700 0.183 0.000 2.522 236 S HA 0.120 4.590 4.470 0.000 0.000 0.227 236 S C 0.701 175.357 174.600 0.092 0.000 0.986 236 S CA 0.755 59.030 58.200 0.124 0.000 0.929 236 S CB 0.356 63.602 63.200 0.077 0.000 0.769 236 S HN 0.587 nan 8.310 nan 0.000 0.529 237 R N -0.401 120.165 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 0.000 0.000 0.265 237 R C -1.707 174.616 176.300 0.039 0.000 1.070 237 R CA -0.042 56.086 56.100 0.046 0.000 0.909 237 R CB 1.372 31.676 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.490 125.271 122.820 -0.065 0.000 2.479 238 A HA 0.786 5.106 4.320 0.000 0.000 0.296 238 A C -1.451 176.040 177.584 -0.156 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.206 0.000 0.743 238 A CB 2.227 21.074 19.000 -0.255 0.000 1.323 238 A HN 0.362 nan 8.150 nan 0.000 0.415 239 V N 1.390 121.184 119.914 -0.200 0.000 2.483 239 V HA 0.426 4.546 4.120 0.000 0.000 0.297 239 V C -1.032 175.005 176.094 -0.096 0.000 1.027 239 V CA -0.468 61.762 62.300 -0.117 0.000 0.855 239 V CB 1.355 33.112 31.823 -0.111 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 5.229 126.431 121.223 -0.034 0.000 2.275 240 L HA 0.630 4.970 4.340 0.000 0.000 0.288 240 L C -0.121 176.711 176.870 -0.063 0.000 1.046 240 L CA 0.180 54.984 54.840 -0.060 0.000 0.805 240 L CB 1.197 43.243 42.059 -0.022 0.000 1.193 240 L HN 0.857 nan 8.230 nan 0.000 0.426 241 E N 4.825 124.982 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 0.000 0.000 0.263 241 E C -1.792 174.796 176.600 -0.021 0.000 0.879 241 E CA -0.832 55.541 56.400 -0.046 0.000 0.762 241 E CB 1.566 31.238 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.385 127.199 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 0.000 0.000 0.320 242 A C -0.846 176.736 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.458 20.484 19.000 0.044 0.000 1.206 242 A HN 0.735 nan 8.150 nan 0.000 0.470 243 E N 2.328 122.528 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 4.350 0.000 0.000 0.267 243 E C -1.650 174.889 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.600 31.235 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.269 124.133 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 0.000 0.000 0.305 244 V C -0.500 175.621 176.094 0.046 0.000 1.043 244 V CA -0.809 61.480 62.300 -0.019 0.000 0.888 244 V CB 1.772 33.557 31.823 -0.063 0.000 0.995 244 V HN 0.694 nan 8.190 nan 0.000 0.429 245 Q N 4.131 123.985 119.800 0.090 0.000 2.377 245 Q HA 0.824 5.164 4.340 0.000 0.000 0.271 245 Q C -0.848 175.230 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.846 31.595 28.738 0.018 0.000 1.347 245 Q HN 0.847 nan 8.270 nan 0.000 0.444 246 M N -0.877 118.756 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 0.000 0.000 0.314 246 M C -1.302 174.891 176.300 -0.177 0.000 1.200 246 M CA -0.428 54.790 55.300 -0.136 0.000 0.916 246 M CB 2.040 34.363 32.600 -0.461 0.000 1.717 246 M HN 0.560 nan 8.290 nan 0.000 0.470 247 C N 1.430 120.623 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 0.000 0.000 0.320 247 C C 0.588 175.474 174.990 -0.174 0.000 1.200 247 C CA 0.893 59.822 59.018 -0.149 0.000 1.700 247 C CB 1.032 28.704 27.740 -0.114 0.000 2.275 247 C HN 1.354 nan 8.230 nan 0.000 0.492 248 G N 3.390 112.103 108.800 -0.145 0.000 2.396 248 G HA2 0.121 4.081 3.960 0.000 0.000 0.254 248 G HA3 0.121 4.081 3.960 0.000 0.000 0.254 248 G C -1.505 173.308 174.900 -0.144 0.000 1.248 248 G CA -0.292 44.725 45.100 -0.138 0.000 1.033 248 G HN 0.853 nan 8.290 nan 0.000 0.502 249 E N -0.337 119.785 120.200 -0.130 0.000 2.166 249 E HA 0.712 5.062 4.350 0.000 0.000 0.275 249 E C 0.020 176.515 176.600 -0.176 0.000 0.941 249 E CA -0.957 55.365 56.400 -0.130 0.000 0.784 249 E CB 2.002 31.654 29.700 -0.079 0.000 1.115 249 E HN 0.631 nan 8.360 nan 0.000 0.399 250 L N 3.492 124.599 121.223 -0.193 0.000 2.455 250 L HA 0.257 4.597 4.340 0.000 0.000 0.272 250 L C -0.068 176.678 176.870 -0.206 0.000 1.174 250 L CA 0.148 54.844 54.840 -0.241 0.000 0.869 250 L CB 0.228 42.165 42.059 -0.203 0.000 1.130 250 L HN 0.477 nan 8.230 nan 0.000 0.474 251 R N 2.683 123.000 120.500 -0.305 0.000 2.548 251 R HA 0.115 4.455 4.340 0.000 0.000 0.280 251 R C 0.062 176.137 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.280 56.100 -0.339 0.000 0.915 251 R CB 1.588 31.479 30.300 -0.681 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.781 122.104 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 0.000 0.000 0.220 252 D C 0.886 177.192 176.300 0.010 0.000 0.974 252 D CA 1.459 55.444 54.000 -0.025 0.000 0.931 252 D CB -0.051 40.785 40.800 0.061 0.000 0.889 252 D HN 0.714 nan 8.370 nan 0.000 0.512 253 Y N -0.689 119.615 120.300 0.007 0.000 2.457 253 Y HA 0.393 4.943 4.550 0.000 0.000 0.263 253 Y C 0.958 176.858 175.900 -0.001 0.000 1.164 253 Y CA -0.936 57.168 58.100 0.008 0.000 1.274 253 Y CB -0.321 38.145 38.460 0.010 0.000 1.097 253 Y HN -0.222 nan 8.280 nan 0.000 0.523 254 L N 2.946 123.984 121.223 -0.308 0.000 2.397 254 L HA 0.362 4.702 4.340 0.000 0.000 0.271 254 L C 0.204 177.017 176.870 -0.095 0.000 1.148 254 L CA -0.098 54.625 54.840 -0.195 0.000 0.825 254 L CB 0.608 42.560 42.059 -0.178 0.000 1.117 254 L HN 0.252 nan 8.230 nan 0.000 0.456 255 R N 2.077 122.428 120.500 -0.248 0.000 2.799 255 R HA 0.750 5.090 4.340 0.000 0.000 0.270 255 R C -1.543 174.434 176.300 -0.538 0.000 1.010 255 R CA -0.833 55.026 56.100 -0.403 0.000 0.916 255 R CB 2.389 32.416 30.300 -0.454 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.788 120.480 119.914 -0.371 0.000 2.686 256 V HA 0.490 4.610 4.120 0.000 0.000 0.306 256 V C -0.617 175.455 176.094 -0.037 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.234 0.000 0.894 256 V CB 2.421 34.033 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.575 118.184 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 0.000 0.000 0.287 257 T C -0.855 173.851 174.700 0.011 0.000 1.003 257 T CA -0.536 61.615 62.100 0.084 0.000 0.977 257 T CB 1.923 70.876 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.062 122.966 119.914 -0.015 0.000 2.577 258 V HA 0.694 4.814 4.120 0.000 0.000 0.303 258 V C -0.440 175.638 176.094 -0.027 0.000 1.042 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.872 258 V CB 1.870 33.670 31.823 -0.040 0.000 0.998 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.038 120.738 115.700 0.001 0.000 2.526 259 S HA 0.862 5.332 4.470 0.000 0.000 0.293 259 S C -1.139 173.435 174.600 -0.044 0.000 1.092 259 S CA -0.770 57.387 58.200 -0.070 0.000 0.980 259 S CB 2.385 65.578 63.200 -0.011 0.000 1.048 259 S HN 0.474 nan 8.310 nan 0.000 0.483 260 L N 2.106 123.194 121.223 -0.225 0.000 2.322 260 L HA 0.731 5.071 4.340 0.000 0.000 0.281 260 L C -1.839 174.864 176.870 -0.278 0.000 1.014 260 L CA -0.459 54.328 54.840 -0.089 0.000 0.815 260 L CB 0.797 42.829 42.059 -0.045 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.271 124.666 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 0.000 0.000 0.335 261 W C -0.488 176.159 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.620 31.122 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.665 122.714 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 0.000 0.000 0.245 262 Q C 0.682 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.597 56.499 55.803 0.164 0.000 0.860 262 Q CB 0.345 29.133 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.326 111.208 108.800 0.135 0.000 2.595 263 G HA2 -0.366 3.594 3.960 0.000 0.000 0.297 263 G HA3 -0.366 3.594 3.960 0.000 0.000 0.297 263 G C 0.667 175.638 174.900 0.119 0.000 1.181 263 G CA 0.324 45.470 45.100 0.077 0.000 0.963 263 G HN 0.516 nan 8.290 nan 0.000 0.541 264 E N 1.560 121.833 120.200 0.122 0.000 2.385 264 E HA 0.196 4.546 4.350 0.000 0.000 0.194 264 E C 1.260 178.081 176.600 0.368 0.000 1.013 264 E CA 0.923 57.407 56.400 0.140 0.000 0.866 264 E CB -0.122 29.626 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.359 116.127 114.554 0.357 0.000 2.806 265 T HA 0.177 4.527 4.350 0.000 0.000 0.290 265 T C 0.088 174.925 174.700 0.228 0.000 0.966 265 T CA -0.348 61.932 62.100 0.300 0.000 1.060 265 T CB 1.588 70.535 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.861 122.512 119.800 -0.250 0.000 2.296 266 Q HA 0.287 4.627 4.340 0.000 0.000 0.257 266 Q C 0.315 176.040 176.000 -0.459 0.000 0.942 266 Q CA -0.397 54.780 55.803 -1.044 0.000 0.939 266 Q CB 0.929 28.756 28.738 -1.519 0.000 1.198 266 Q HN 0.583 nan 8.270 nan 0.000 0.429 267 V N 2.306 121.993 119.914 -0.379 0.000 2.685 267 V HA 0.334 4.454 4.120 0.000 0.000 0.244 267 V C 0.418 176.401 176.094 -0.184 0.000 1.054 267 V CA 0.962 63.163 62.300 -0.164 0.000 1.076 267 V CB 0.099 31.917 31.823 -0.009 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.203 121.464 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 0.000 0.000 0.294 268 A C -0.820 176.634 177.584 -0.216 0.000 1.055 268 A CA -0.048 51.872 52.037 -0.194 0.000 0.683 268 A CB 1.737 20.659 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.076 114.529 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 0.000 0.000 0.272 269 S C -0.492 174.059 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.271 58.200 -0.125 0.000 0.843 269 S CB 1.964 65.086 63.200 -0.130 0.000 1.122 269 S HN 2.313 nan 8.310 nan 0.000 0.468 270 G N 1.217 109.981 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.556 3.960 0.000 0.000 0.297 270 G HA3 0.596 4.556 3.960 0.000 0.000 0.297 270 G C -1.518 173.363 174.900 -0.033 0.000 1.434 270 G CA -0.381 44.690 45.100 -0.049 0.000 0.980 270 G HN 0.685 nan 8.290 nan 0.000 0.531 271 T N -0.202 114.337 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 0.000 0.000 0.295 271 T C -0.170 174.505 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.187 62.100 -0.007 0.000 0.995 271 T CB 1.869 70.768 68.868 0.050 0.000 1.072 271 T HN 1.781 nan 8.240 nan 0.000 0.473 272 A N 2.917 125.688 122.820 -0.083 0.000 2.566 272 A HA 0.914 5.234 4.320 0.000 0.000 0.290 272 A C -3.246 174.227 177.584 -0.184 0.000 1.071 272 A CA -1.416 50.552 52.037 -0.116 0.000 0.658 272 A CB 1.149 20.070 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.656 nan 4.420 nan 0.000 0.292 273 P C -0.771 176.442 177.300 -0.145 0.000 1.300 273 P CA -0.482 62.552 63.100 -0.110 0.000 0.900 273 P CB 0.590 32.276 31.700 -0.024 0.000 1.139 274 F N 0.827 120.727 119.950 -0.083 0.000 2.535 274 F HA 0.413 4.940 4.527 0.000 0.000 0.332 274 F C 1.622 177.400 175.800 -0.036 0.000 1.208 274 F CA 1.926 59.888 58.000 -0.062 0.000 1.330 274 F CB -0.190 38.766 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.952 109.878 108.800 0.209 0.000 3.438 275 G HA2 0.374 4.334 3.960 0.000 0.000 0.684 275 G HA3 0.374 4.334 3.960 0.000 0.000 0.684 275 G C -0.482 174.462 174.900 0.073 0.000 1.192 275 G CA -0.792 44.384 45.100 0.126 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.633 109.493 108.800 0.101 0.000 2.537 276 G HA2 0.755 4.715 3.960 0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 0.000 0.000 0.297 276 G C 0.061 174.994 174.900 0.055 0.000 1.310 276 G CA -0.323 44.827 45.100 0.084 0.000 1.027 276 G HN 0.895 nan 8.290 nan 0.000 0.505 277 E N -0.816 119.413 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 0.000 0.000 0.262 277 E C -0.318 176.299 176.600 0.029 0.000 1.088 277 E CA -0.659 55.758 56.400 0.029 0.000 0.899 277 E CB 0.796 30.509 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.693 122.270 120.570 0.011 0.000 2.710 278 I HA -0.059 4.111 4.170 0.000 0.000 0.286 278 I C 1.004 177.125 176.117 0.007 0.000 1.181 278 I CA 0.580 61.879 61.300 -0.001 0.000 1.430 278 I CB 0.145 38.141 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.173 121.739 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 0.000 0.000 0.311 279 I C 0.005 176.119 176.117 -0.005 0.000 1.259 279 I CA 0.469 61.776 61.300 0.011 0.000 1.315 279 I CB 0.134 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.546 119.838 120.400 -0.027 0.000 2.946 280 D HA 0.208 4.848 4.640 0.000 0.000 0.337 280 D C 0.483 176.765 176.300 -0.029 0.000 1.332 280 D CA -0.432 53.554 54.000 -0.024 0.000 0.935 280 D CB 0.250 41.036 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.825 119.360 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 0.000 0.000 0.196 281 E C 1.590 178.171 176.600 -0.032 0.000 0.993 281 E CA 1.173 57.558 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.657 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.467 120.005 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 0.000 0.000 0.196 282 R C 0.880 177.138 176.300 -0.071 0.000 0.961 282 R CA 0.699 56.764 56.100 -0.057 0.000 1.024 282 R CB 0.727 30.987 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.500 108.256 108.800 -0.073 0.000 2.295 283 G HA2 -0.078 3.882 3.960 0.000 0.000 0.195 283 G HA3 -0.078 3.882 3.960 0.000 0.000 0.195 283 G C -0.347 174.490 174.900 -0.104 0.000 1.269 283 G CA -0.640 44.416 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.813 106.921 108.800 -0.110 0.000 3.209 284 G HA2 0.635 4.595 3.960 0.000 0.000 0.236 284 G HA3 0.635 4.595 3.960 0.000 0.000 0.236 284 G C -1.523 173.230 174.900 -0.246 0.000 1.329 284 G CA -0.767 44.259 45.100 -0.124 0.000 1.015 284 G HN 0.721 nan 8.290 nan 0.000 0.571 285 Y N 0.768 121.081 120.300 0.022 0.000 2.404 285 Y HA 0.449 4.999 4.550 0.000 0.000 0.344 285 Y C 1.373 177.300 175.900 0.046 0.000 0.970 285 Y CA 0.018 58.136 58.100 0.031 0.000 1.180 285 Y CB 1.875 40.360 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.849 124.750 122.820 0.135 0.000 1.968 286 A HA -0.138 4.182 4.320 0.000 0.000 0.217 286 A C 1.277 178.949 177.584 0.146 0.000 1.169 286 A CA 1.493 53.591 52.037 0.102 0.000 0.638 286 A CB -0.236 18.781 19.000 0.029 0.000 0.812 286 A HN 0.787 nan 8.150 nan 0.000 0.446 287 D N -0.523 119.963 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 0.000 0.000 0.228 287 D C 0.331 176.809 176.300 0.295 0.000 1.183 287 D CA -0.131 53.894 54.000 0.041 0.000 0.827 287 D CB -0.111 40.658 40.800 -0.052 0.000 0.989 287 D HN 0.424 nan 8.370 nan 0.000 0.494 288 R N -0.951 119.820 120.500 0.452 0.000 2.799 288 R HA 0.766 5.106 4.340 0.000 0.000 0.270 288 R C -1.557 174.848 176.300 0.174 0.000 1.010 288 R CA -1.228 55.069 56.100 0.328 0.000 0.916 288 R CB 2.819 33.169 30.300 0.083 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.159 120.032 119.914 -0.068 0.000 3.000 289 V HA 0.500 4.620 4.120 0.000 0.000 0.300 289 V C -1.611 174.392 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.715 34.259 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.312 121.803 114.554 -0.105 0.000 2.812 290 T HA 0.750 5.100 4.350 0.000 0.000 0.282 290 T C -0.971 173.682 174.700 -0.078 0.000 0.990 290 T CA -0.268 61.784 62.100 -0.078 0.000 0.960 290 T CB 1.186 70.028 68.868 -0.043 0.000 0.948 290 T HN 0.492 nan 8.240 nan 0.000 0.438 291 L N 2.925 124.104 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 0.000 0.000 0.271 291 L C 0.405 177.244 176.870 -0.051 0.000 1.013 291 L CA -0.683 54.117 54.840 -0.067 0.000 0.816 291 L CB 1.232 43.246 42.059 -0.074 0.000 1.287 291 L HN 0.414 nan 8.230 nan 0.000 0.435 292 R N 2.835 123.304 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 0.000 0.000 0.307 292 R C -1.499 174.771 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.454 56.100 -0.048 0.000 0.865 292 R CB 1.464 31.736 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.617 123.810 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 0.000 0.000 0.284 293 L C 0.055 176.893 176.870 -0.053 0.000 1.023 293 L CA -0.944 53.865 54.840 -0.051 0.000 0.810 293 L CB 1.494 43.523 42.059 -0.051 0.000 1.231 293 L HN 0.467 nan 8.230 nan 0.000 0.423 294 N N 1.922 120.585 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.211 4.740 0.000 0.000 0.287 294 N C -1.004 174.453 175.510 -0.087 0.000 1.097 294 N CA -0.314 52.695 53.050 -0.068 0.000 0.973 294 N CB 2.849 41.300 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.021 121.868 119.914 -0.112 0.000 2.569 295 V HA 0.192 4.313 4.120 0.000 0.000 0.301 295 V C -0.134 175.875 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.060 33.690 31.823 -0.323 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.704 123.845 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 0.000 0.000 0.275 296 E C -0.091 176.479 176.600 -0.050 0.000 1.030 296 E CA -0.392 55.973 56.400 -0.057 0.000 0.852 296 E CB 0.662 30.341 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.344 120.037 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 0.000 0.000 0.263 297 N C -2.385 173.120 175.510 -0.008 0.000 0.987 297 N CA 0.359 53.418 53.050 0.015 0.000 0.782 297 N CB -1.364 37.136 38.487 0.022 0.000 0.903 297 N HN 0.318 nan 8.380 nan 0.000 0.547 298 P HA 0.130 nan 4.420 nan 0.000 0.272 298 P C 0.100 177.415 177.300 0.026 0.000 1.230 298 P CA 0.164 63.154 63.100 -0.185 0.000 0.788 298 P CB 0.854 32.192 31.700 -0.604 0.000 0.949 299 K N 1.342 121.839 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 0.000 0.000 0.277 299 K C -0.156 176.611 176.600 0.278 0.000 1.038 299 K CA -0.540 55.853 56.287 0.178 0.000 0.888 299 K CB 0.493 33.065 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.378 123.688 121.223 0.145 0.000 2.395 300 L HA 0.338 4.678 4.340 0.000 0.000 0.269 300 L C -0.113 176.842 176.870 0.142 0.000 1.133 300 L CA -0.795 54.140 54.840 0.158 0.000 0.812 300 L CB 0.417 42.427 42.059 -0.082 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.888 124.225 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 0.000 0.000 0.322 301 W C -0.299 176.172 176.519 -0.079 0.000 1.160 301 W CA 0.128 57.487 57.345 0.024 0.000 1.218 301 W CB 1.268 30.790 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.791 117.848 115.700 -1.071 0.000 2.588 302 S HA 0.611 5.081 4.470 0.000 0.000 0.269 302 S C 0.027 173.812 174.600 -1.359 0.000 1.157 302 S CA -0.439 57.240 58.200 -0.869 0.000 0.824 302 S CB 1.261 64.202 63.200 -0.433 0.000 1.126 302 S HN 0.814 nan 8.310 nan 0.000 0.464 303 A N 0.340 122.569 122.820 -0.985 0.000 2.066 303 A HA 0.044 4.364 4.320 0.000 0.000 0.218 303 A C 1.685 178.925 177.584 -0.574 0.000 1.157 303 A CA 1.266 52.690 52.037 -1.022 0.000 0.670 303 A CB -0.777 17.384 19.000 -1.397 0.000 0.804 303 A HN 0.863 nan 8.150 nan 0.000 0.453 304 E N -0.806 119.200 120.200 -0.324 0.000 2.106 304 E HA 0.030 4.380 4.350 0.000 0.000 0.192 304 E C -0.280 176.168 176.600 -0.254 0.000 0.984 304 E CA 0.777 57.060 56.400 -0.195 0.000 0.806 304 E CB 0.021 29.746 29.700 0.042 0.000 0.750 304 E HN 0.604 nan 8.360 nan 0.000 0.458 305 I N 0.948 121.310 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 0.000 0.000 0.278 305 I C -2.624 173.223 176.117 -0.451 0.000 1.144 305 I CA -1.852 59.269 61.300 -0.299 0.000 1.074 305 I CB 2.153 40.037 38.000 -0.192 0.000 1.235 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.064 nan 4.420 nan 0.000 0.231 306 P C -0.496 176.795 177.300 -0.015 0.000 1.756 306 P CA -0.097 62.680 63.100 -0.539 0.000 0.990 306 P CB -0.372 31.232 31.700 -0.161 0.000 1.973 307 N N 1.781 120.491 118.700 0.018 0.000 2.468 307 N HA 0.128 4.868 4.740 0.000 0.000 0.265 307 N C 0.078 175.805 175.510 0.363 0.000 1.199 307 N CA 0.372 53.506 53.050 0.141 0.000 0.928 307 N CB 0.618 39.171 38.487 0.109 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.369 123.715 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 0.000 0.000 0.267 308 L C -0.804 176.142 176.870 0.127 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.164 43.345 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.028 120.401 120.300 0.215 0.000 2.576 309 Y HA 0.566 5.116 4.550 0.000 0.000 0.346 309 Y C -0.338 175.670 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.224 0.000 1.050 309 Y CB 2.095 40.741 38.460 0.311 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.244 121.981 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 0.000 0.000 0.308 310 R C -1.499 174.994 176.300 0.321 0.000 0.961 310 R CA -0.666 55.601 56.100 0.278 0.000 0.862 310 R CB 1.110 31.499 30.300 0.149 0.000 1.144 310 R HN 0.804 nan 8.270 nan 0.000 0.447 311 A N 3.804 126.755 122.820 0.218 0.000 2.331 311 A HA 0.588 4.908 4.320 0.000 0.000 0.320 311 A C -1.112 176.547 177.584 0.124 0.000 1.138 311 A CA -0.657 51.495 52.037 0.192 0.000 0.790 311 A CB 1.508 20.598 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.173 122.164 119.914 0.129 0.000 2.448 312 V HA 0.526 4.646 4.120 0.000 0.000 0.295 312 V C -0.374 175.706 176.094 -0.024 0.000 1.025 312 V CA -0.692 61.628 62.300 0.034 0.000 0.859 312 V CB 1.397 33.246 31.823 0.044 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.010 124.852 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 0.000 0.000 0.281 313 V C -0.036 176.001 176.094 -0.096 0.000 1.016 313 V CA -0.479 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.148 32.723 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.059 125.251 120.200 -0.013 0.000 2.176 314 E HA 0.576 4.926 4.350 0.000 0.000 0.267 314 E C -1.112 175.576 176.600 0.147 0.000 0.893 314 E CA -1.070 55.372 56.400 0.069 0.000 0.761 314 E CB 2.791 32.547 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.313 126.592 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 0.000 0.000 0.289 315 L C -0.686 176.248 176.870 0.106 0.000 1.046 315 L CA 0.068 54.936 54.840 0.047 0.000 0.816 315 L CB -0.096 41.968 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.206 120.295 119.070 0.032 0.000 2.942 316 H HA 0.618 5.174 4.556 0.000 0.000 0.316 316 H C -0.967 174.403 175.328 0.071 0.000 1.323 316 H CA -0.342 55.733 56.048 0.044 0.000 1.144 316 H CB 0.989 30.771 29.762 0.035 0.000 1.866 316 H HN 0.474 nan 8.280 nan 0.000 0.545 317 T N -2.824 111.866 114.554 0.227 0.000 2.927 317 T HA 0.526 4.876 4.350 0.000 0.000 0.281 317 T C 1.439 176.316 174.700 0.295 0.000 0.998 317 T CA -0.196 62.048 62.100 0.240 0.000 1.019 317 T CB 1.390 70.448 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.005 123.969 122.820 0.240 0.000 2.024 318 A HA -0.086 4.234 4.320 0.000 0.000 0.220 318 A C 1.817 179.500 177.584 0.165 0.000 1.164 318 A CA 1.978 54.131 52.037 0.194 0.000 0.643 318 A CB -1.283 17.813 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.969 117.516 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 0.000 0.000 0.208 319 D C 1.255 177.603 176.300 0.081 0.000 0.963 319 D CA 1.360 55.410 54.000 0.084 0.000 0.864 319 D CB -0.146 40.682 40.800 0.047 0.000 0.936 319 D HN 0.669 nan 8.370 nan 0.000 0.505 320 G N -1.270 107.605 108.800 0.125 0.000 2.367 320 G HA2 -0.199 3.761 3.960 0.000 0.000 0.181 320 G HA3 -0.199 3.761 3.960 0.000 0.000 0.181 320 G C 0.329 175.261 174.900 0.054 0.000 1.000 320 G CA -0.042 45.090 45.100 0.052 0.000 0.693 320 G HN 0.329 nan 8.290 nan 0.000 0.480 321 T N 2.139 116.754 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 0.000 0.000 0.295 321 T C 0.506 175.289 174.700 0.138 0.000 0.958 321 T CA 0.155 62.312 62.100 0.094 0.000 1.157 321 T CB 1.068 69.989 68.868 0.088 0.000 0.898 321 T HN 0.483 nan 8.240 nan 0.000 0.536 322 L N 4.859 126.140 121.223 0.097 0.000 2.331 322 L HA 0.256 4.596 4.340 0.000 0.000 0.278 322 L C 0.618 177.548 176.870 0.099 0.000 1.106 322 L CA -0.465 54.446 54.840 0.118 0.000 0.824 322 L CB 0.465 42.563 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.316 123.946 120.570 0.099 0.000 2.494 323 I HA 0.104 4.274 4.170 0.000 0.000 0.250 323 I C 0.602 176.734 176.117 0.025 0.000 1.112 323 I CA 0.802 62.132 61.300 0.049 0.000 1.438 323 I CB -0.176 37.837 38.000 0.022 0.000 1.111 323 I HN 0.801 nan 8.210 nan 0.000 0.431 324 E N -0.595 119.624 120.200 0.032 0.000 2.421 324 E HA 0.674 5.024 4.350 0.000 0.000 0.278 324 E C -1.674 174.950 176.600 0.040 0.000 1.141 324 E CA -1.034 55.382 56.400 0.027 0.000 0.880 324 E CB 0.979 30.660 29.700 -0.032 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.926 123.796 122.820 0.084 0.000 2.539 325 A HA 0.738 5.058 4.320 0.000 0.000 0.296 325 A C -1.255 176.453 177.584 0.207 0.000 1.073 325 A CA -0.687 51.406 52.037 0.094 0.000 0.700 325 A CB 1.910 20.954 19.000 0.072 0.000 1.296 325 A HN 0.515 nan 8.150 nan 0.000 0.405 326 E N -0.450 119.804 120.200 0.090 0.000 2.393 326 E HA 0.766 5.116 4.350 0.000 0.000 0.273 326 E C -0.630 175.993 176.600 0.039 0.000 0.918 326 E CA -0.622 55.901 56.400 0.204 0.000 0.773 326 E CB 2.510 32.278 29.700 0.113 0.000 1.275 326 E HN 1.162 nan 8.360 nan 0.000 0.451 327 A N 0.179 123.135 122.820 0.227 0.000 2.588 327 A HA 0.858 5.178 4.320 0.000 0.000 0.290 327 A C -1.116 176.648 177.584 0.300 0.000 1.136 327 A CA -0.393 51.711 52.037 0.112 0.000 0.681 327 A CB 1.193 20.131 19.000 -0.105 0.000 1.282 327 A HN 0.935 nan 8.150 nan 0.000 0.421 328 C N -0.816 118.619 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 0.000 0.000 0.338 328 C C -1.543 173.533 174.990 0.144 0.000 1.323 328 C CA -0.988 58.157 59.018 0.211 0.000 1.232 328 C CB 0.887 28.766 27.740 0.232 0.000 1.517 328 C HN 0.829 nan 8.230 nan 0.000 0.470 329 D N 0.829 121.292 120.400 0.105 0.000 2.264 329 D HA 0.572 5.212 4.640 0.000 0.000 0.249 329 D C -0.507 175.830 176.300 0.061 0.000 1.070 329 D CA 0.155 54.217 54.000 0.104 0.000 0.912 329 D CB 2.080 42.941 40.800 0.101 0.000 1.193 329 D HN 0.528 nan 8.370 nan 0.000 0.427 330 V N 0.698 120.676 119.914 0.108 0.000 2.656 330 V HA 0.645 4.765 4.120 0.000 0.000 0.307 330 V C 0.370 176.504 176.094 0.066 0.000 1.051 330 V CA -0.732 61.577 62.300 0.015 0.000 0.893 330 V CB 2.195 34.016 31.823 -0.003 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.766 111.492 108.800 -0.124 0.000 2.544 331 G HA2 0.642 4.602 3.960 0.000 0.000 0.313 331 G HA3 0.642 4.602 3.960 0.000 0.000 0.313 331 G C -1.239 173.647 174.900 -0.022 0.000 1.316 331 G CA -0.399 44.701 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.259 122.391 119.950 0.303 0.000 2.404 332 F HA 0.560 5.087 4.527 0.000 0.000 0.359 332 F C 0.920 176.960 175.800 0.400 0.000 1.134 332 F CA -0.298 57.935 58.000 0.388 0.000 1.160 332 F CB 1.104 40.351 39.000 0.412 0.000 1.186 332 F HN 0.552 nan 8.300 nan 0.000 0.526 333 R N 1.214 122.015 120.500 0.502 0.000 2.634 333 R HA 0.461 4.801 4.340 0.000 0.000 0.263 333 R C -1.762 174.685 176.300 0.244 0.000 1.060 333 R CA -1.073 55.172 56.100 0.242 0.000 0.898 333 R CB 1.423 31.885 30.300 0.270 0.000 1.253 333 R HN 0.458 nan 8.270 nan 0.000 0.461 334 E N 2.098 122.343 120.200 0.074 0.000 2.199 334 E HA 0.475 4.825 4.350 0.000 0.000 0.265 334 E C -1.289 175.366 176.600 0.093 0.000 0.882 334 E CA -1.019 55.478 56.400 0.162 0.000 0.759 334 E CB 2.022 31.853 29.700 0.218 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.487 125.455 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 0.000 0.000 0.291 335 V C -0.182 175.944 176.094 0.054 0.000 1.024 335 V CA -0.557 61.770 62.300 0.045 0.000 0.861 335 V CB 1.260 33.090 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.461 124.989 120.500 0.046 0.000 2.692 336 R HA 0.689 5.029 4.340 0.000 0.000 0.269 336 R C -2.104 174.217 176.300 0.034 0.000 1.030 336 R CA -0.864 55.266 56.100 0.050 0.000 0.882 336 R CB 1.742 32.085 30.300 0.072 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.833 122.424 120.570 0.035 0.000 2.330 337 I HA 0.328 4.498 4.170 0.000 0.000 0.289 337 I C -0.558 175.577 176.117 0.031 0.000 1.001 337 I CA -0.357 60.959 61.300 0.027 0.000 1.193 337 I CB 1.698 39.716 38.000 0.029 0.000 1.345 337 I HN 0.668 nan 8.210 nan 0.000 0.461 338 E N 6.262 126.477 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 0.000 0.000 0.268 338 E C -0.385 176.226 176.600 0.018 0.000 0.884 338 E CA -0.626 55.789 56.400 0.026 0.000 0.766 338 E CB 1.049 30.769 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.440 122.150 118.700 0.018 0.000 2.725 339 N HA -0.233 4.507 4.740 0.000 0.000 0.251 339 N C 0.427 175.941 175.510 0.007 0.000 1.031 339 N CA 1.961 55.019 53.050 0.013 0.000 0.720 339 N CB -1.236 37.258 38.487 0.011 0.000 0.930 339 N HN 0.972 nan 8.380 nan 0.000 0.543 340 G N -1.988 106.816 108.800 0.008 0.000 2.179 340 G HA2 -0.283 3.677 3.960 0.000 0.000 0.260 340 G HA3 -0.283 3.677 3.960 0.000 0.000 0.260 340 G C -0.029 174.865 174.900 -0.010 0.000 0.977 340 G CA 0.621 45.721 45.100 0.001 0.000 0.641 340 G HN 0.519 nan 8.290 nan 0.000 0.533 341 L N -0.164 121.055 121.223 -0.008 0.000 2.354 341 L HA 0.748 5.088 4.340 0.000 0.000 0.269 341 L C -0.103 176.756 176.870 -0.018 0.000 1.005 341 L CA -1.361 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.898 43.944 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.738 124.938 121.223 -0.038 0.000 2.260 342 L HA 0.515 4.855 4.340 0.000 0.000 0.289 342 L C -0.863 175.981 176.870 -0.043 0.000 1.057 342 L CA 0.295 55.112 54.840 -0.039 0.000 0.811 342 L CB 0.483 42.505 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.672 126.885 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 0.000 0.000 0.269 343 L C -0.870 176.001 176.870 0.001 0.000 1.010 343 L CA -0.842 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.993 44.071 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.697 123.931 121.223 0.019 0.000 2.376 344 L HA 0.496 4.836 4.340 0.000 0.000 0.275 344 L C -0.475 176.426 176.870 0.052 0.000 0.987 344 L CA -0.233 54.629 54.840 0.036 0.000 0.828 344 L CB 1.097 43.174 42.059 0.031 0.000 1.249 344 L HN 0.648 nan 8.230 nan 0.000 0.409 345 N N 4.115 122.741 118.700 -0.123 0.000 2.716 345 N HA -0.226 4.514 4.740 0.000 0.000 0.250 345 N C 0.894 176.163 175.510 -0.402 0.000 1.033 345 N CA 1.412 54.134 53.050 -0.546 0.000 0.727 345 N CB -1.162 36.889 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.991 106.795 108.800 -0.024 0.000 2.225 346 G HA2 -0.346 3.614 3.960 0.000 0.000 0.254 346 G HA3 -0.346 3.614 3.960 0.000 0.000 0.254 346 G C -0.057 174.881 174.900 0.063 0.000 0.988 346 G CA 0.843 46.008 45.100 0.109 0.000 0.625 346 G HN 0.502 nan 8.290 nan 0.000 0.527 347 K N 0.994 121.423 120.400 0.050 0.000 2.208 347 K HA 0.548 4.868 4.320 0.000 0.000 0.247 347 K C -3.020 173.561 176.600 -0.032 0.000 0.953 347 K CA -2.111 54.163 56.287 -0.021 0.000 0.837 347 K CB 2.675 35.085 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.217 nan 4.420 nan 0.000 0.282 348 P C -0.251 176.989 177.300 -0.101 0.000 1.274 348 P CA -0.176 62.880 63.100 -0.072 0.000 0.770 348 P CB 0.553 32.212 31.700 -0.069 0.000 0.867 349 L N 3.410 124.567 121.223 -0.109 0.000 2.456 349 L HA 0.421 4.761 4.340 0.000 0.000 0.257 349 L C 0.431 177.218 176.870 -0.139 0.000 1.162 349 L CA -0.805 53.959 54.840 -0.128 0.000 0.808 349 L CB 0.568 42.519 42.059 -0.181 0.000 1.136 349 L HN 0.235 nan 8.230 nan 0.000 0.466 350 L N 2.777 123.930 121.223 -0.117 0.000 2.471 350 L HA 0.414 4.754 4.340 0.000 0.000 0.263 350 L C -0.707 176.103 176.870 -0.099 0.000 0.985 350 L CA -0.198 54.557 54.840 -0.141 0.000 0.868 350 L CB 0.999 43.002 42.059 -0.094 0.000 1.203 350 L HN 0.217 nan 8.230 nan 0.000 0.429 351 I N 4.521 124.969 120.570 -0.203 0.000 2.436 351 I HA 0.214 4.384 4.170 0.000 0.000 0.289 351 I C 0.565 176.608 176.117 -0.122 0.000 1.083 351 I CA 0.126 61.313 61.300 -0.189 0.000 1.372 351 I CB 0.526 38.291 38.000 -0.393 0.000 1.408 351 I HN 0.553 nan 8.210 nan 0.000 0.516 352 R N 4.745 125.250 120.500 0.010 0.000 3.070 352 R HA 0.448 4.788 4.340 0.000 0.000 0.252 352 R C 0.545 176.918 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.050 0.000 1.482 352 R CB 0.751 30.947 30.300 -0.172 0.000 1.220 352 R HN 0.773 nan 8.270 nan 0.000 0.622 353 G N 0.076 108.898 108.800 0.036 0.000 2.509 353 G HA2 0.591 4.551 3.960 0.000 0.000 0.328 353 G HA3 0.591 4.551 3.960 0.000 0.000 0.328 353 G C -1.263 173.926 174.900 0.482 0.000 1.194 353 G CA -0.481 44.648 45.100 0.047 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.228 120.464 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 0.000 0.000 0.307 354 V C -1.167 175.071 176.094 0.240 0.000 1.166 354 V CA -1.197 61.293 62.300 0.316 0.000 0.974 354 V CB 2.242 33.970 31.823 -0.159 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.275 123.023 118.700 0.081 0.000 2.518 355 N HA 0.518 5.258 4.740 0.000 0.000 0.283 355 N C -0.799 174.500 175.510 -0.352 0.000 1.119 355 N CA -0.423 52.532 53.050 -0.159 0.000 0.983 355 N CB 1.756 40.134 38.487 -0.181 0.000 1.139 355 N HN 0.669 nan 8.380 nan 0.000 0.465 356 R N 1.690 121.945 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 0.000 0.000 0.288 356 R C -1.190 174.861 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.316 56.100 -0.377 0.000 0.909 356 R CB 1.090 31.175 30.300 -0.357 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.003 120.919 119.070 -0.257 0.000 2.495 357 H HA 0.171 4.727 4.556 0.000 0.000 0.350 357 H C -0.549 174.761 175.328 -0.030 0.000 1.202 357 H CA -0.212 55.772 56.048 -0.106 0.000 1.322 357 H CB 1.666 31.422 29.762 -0.011 0.000 1.544 357 H HN 0.565 nan 8.280 nan 0.000 0.565 358 E N 1.656 122.037 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 0.000 0.000 0.274 358 E C -0.766 175.958 176.600 0.207 0.000 1.061 358 E CA 0.007 56.497 56.400 0.151 0.000 0.847 358 E CB 0.149 29.945 29.700 0.160 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.603 120.711 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 0.000 0.000 0.354 359 H C -1.647 173.706 175.328 0.043 0.000 1.085 359 H CA -0.695 55.384 56.048 0.052 0.000 1.253 359 H CB 1.026 30.809 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.535 125.282 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 0.000 0.000 0.339 360 H C -2.215 172.700 175.328 -0.689 0.000 1.004 360 H CA -2.442 53.337 56.048 -0.448 0.000 1.257 360 H CB 2.437 32.055 29.762 -0.240 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.154 nan 4.420 nan 0.000 0.216 361 P C 1.392 178.580 177.300 -0.188 0.000 1.150 361 P CA 1.021 63.932 63.100 -0.314 0.000 0.843 361 P CB 0.797 32.339 31.700 -0.263 0.000 0.787 362 L N -2.013 119.230 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 0.000 0.000 0.197 362 L C 2.445 179.227 176.870 -0.146 0.000 1.073 362 L CA 0.845 55.632 54.840 -0.087 0.000 0.800 362 L CB -0.767 41.126 42.059 -0.277 0.000 0.987 362 L HN 0.013 nan 8.230 nan 0.000 0.470 363 H N -0.483 118.512 119.070 -0.125 0.000 2.547 363 H HA 0.161 4.717 4.556 0.000 0.000 0.266 363 H C 1.450 176.644 175.328 -0.223 0.000 0.988 363 H CA 0.078 55.958 56.048 -0.280 0.000 1.147 363 H CB 0.239 29.711 29.762 -0.483 0.000 1.365 363 H HN 0.471 nan 8.280 nan 0.000 0.589 364 G N 1.552 110.255 108.800 -0.162 0.000 2.543 364 G HA2 -0.403 3.557 3.960 0.000 0.000 0.286 364 G HA3 -0.403 3.557 3.960 0.000 0.000 0.286 364 G C 0.581 175.371 174.900 -0.183 0.000 1.153 364 G CA 0.352 45.292 45.100 -0.267 0.000 0.968 364 G HN 0.478 nan 8.290 nan 0.000 0.544 365 Q N 0.080 119.785 119.800 -0.158 0.000 2.247 365 Q HA 0.445 4.785 4.340 0.000 0.000 0.205 365 Q C 0.301 176.322 176.000 0.034 0.000 0.896 365 Q CA -0.038 55.701 55.803 -0.107 0.000 0.950 365 Q CB 0.770 29.336 28.738 -0.287 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.864 121.806 119.914 0.046 0.000 2.432 366 V HA 0.212 4.332 4.120 0.000 0.000 0.275 366 V C 0.126 176.259 176.094 0.064 0.000 1.043 366 V CA -0.257 62.095 62.300 0.087 0.000 0.925 366 V CB 1.001 32.827 31.823 0.006 0.000 0.985 366 V HN 0.323 nan 8.190 nan 0.000 0.466 367 M N 4.441 124.079 119.600 0.064 0.000 2.444 367 M HA 0.562 5.042 4.480 0.000 0.000 0.319 367 M C -0.446 175.811 176.300 -0.072 0.000 1.183 367 M CA -0.600 54.696 55.300 -0.005 0.000 1.032 367 M CB 1.453 34.007 32.600 -0.077 0.000 1.569 367 M HN 0.973 nan 8.290 nan 0.000 0.468 368 D N -2.280 118.083 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 0.000 0.000 0.229 368 D C 0.195 176.491 176.300 -0.008 0.000 1.229 368 D CA -0.692 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.294 42.100 40.800 0.010 0.000 1.514 368 D HN 0.665 nan 8.370 nan 0.000 0.444 369 E N 0.119 120.323 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 0.000 0.000 0.205 369 E C 1.628 178.282 176.600 0.091 0.000 1.027 369 E CA 1.845 58.283 56.400 0.064 0.000 0.830 369 E CB 0.063 29.814 29.700 0.085 0.000 0.751 369 E HN 0.571 nan 8.360 nan 0.000 0.456 370 Q N -0.330 119.522 119.800 0.087 0.000 2.062 370 Q HA -0.200 4.140 4.340 0.000 0.000 0.209 370 Q C 2.217 178.280 176.000 0.106 0.000 0.996 370 Q CA 2.509 58.370 55.803 0.097 0.000 0.859 370 Q CB -0.335 28.460 28.738 0.095 0.000 0.920 370 Q HN 0.375 nan 8.270 nan 0.000 0.415 371 T N 1.163 115.788 114.554 0.118 0.000 2.674 371 T HA -0.153 4.197 4.350 0.000 0.000 0.265 371 T C 2.010 176.788 174.700 0.131 0.000 1.039 371 T CA 1.637 63.815 62.100 0.130 0.000 1.150 371 T CB -0.247 68.714 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.712 120.393 119.600 0.134 0.000 2.113 372 M HA -0.182 4.298 4.480 0.000 0.000 0.255 372 M C 2.450 178.879 176.300 0.215 0.000 1.073 372 M CA 1.682 57.125 55.300 0.238 0.000 1.091 372 M CB -0.924 31.844 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.135 119.852 119.914 0.122 0.000 2.332 373 V HA -0.305 3.815 4.120 0.000 0.000 0.248 373 V C 2.289 178.378 176.094 -0.008 0.000 1.055 373 V CA 2.053 64.358 62.300 0.009 0.000 1.038 373 V CB -0.966 30.884 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.192 119.649 119.800 0.068 0.000 2.045 374 Q HA -0.288 4.052 4.340 0.000 0.000 0.206 374 Q C 2.115 178.192 176.000 0.128 0.000 0.991 374 Q CA 2.280 58.137 55.803 0.090 0.000 0.851 374 Q CB -0.178 28.627 28.738 0.112 0.000 0.911 374 Q HN 0.625 nan 8.270 nan 0.000 0.418 375 D N 0.247 120.750 120.400 0.172 0.000 2.116 375 D HA -0.189 4.451 4.640 0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.010 0.000 0.998 375 D CA 1.220 55.343 54.000 0.206 0.000 0.836 375 D CB -0.313 40.581 40.800 0.158 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.642 121.181 120.570 -0.052 0.000 2.163 376 I HA -0.263 3.907 4.170 0.000 0.000 0.243 376 I C 2.467 178.475 176.117 -0.182 0.000 1.085 376 I CA 0.712 61.886 61.300 -0.211 0.000 1.347 376 I CB -0.209 37.571 38.000 -0.367 0.000 1.044 376 I HN 0.062 nan 8.210 nan 0.000 0.408 377 L N 0.211 121.361 121.223 -0.122 0.000 2.012 377 L HA -0.262 4.078 4.340 0.000 0.000 0.210 377 L C 2.643 179.583 176.870 0.117 0.000 1.073 377 L CA 1.730 56.572 54.840 0.003 0.000 0.748 377 L CB -0.821 41.254 42.059 0.025 0.000 0.891 377 L HN 0.341 nan 8.230 nan 0.000 0.431 378 L N -0.860 120.460 121.223 0.162 0.000 1.989 378 L HA -0.299 4.041 4.340 0.000 0.000 0.211 378 L C 2.808 179.852 176.870 0.289 0.000 1.071 378 L CA 1.574 56.588 54.840 0.289 0.000 0.749 378 L CB -0.409 41.946 42.059 0.493 0.000 0.890 378 L HN 0.313 nan 8.230 nan 0.000 0.431 379 M N -0.621 119.015 119.600 0.060 0.000 2.073 379 M HA -0.280 4.200 4.480 0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.876 57.130 55.300 -0.078 0.000 1.103 379 M CB -0.504 31.829 32.600 -0.445 0.000 1.321 379 M HN 0.135 nan 8.290 nan 0.000 0.405 380 K N 0.201 120.576 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 0.000 0.000 0.208 380 K C 1.903 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.599 57.753 56.287 -0.222 0.000 0.928 380 K CB -0.328 31.852 32.500 -0.532 0.000 0.713 380 K HN 0.557 nan 8.250 nan 0.000 0.442 381 Q N 0.114 120.050 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 0.000 0.000 0.205 381 Q C 0.991 177.269 176.000 0.463 0.000 0.970 381 Q CA 0.627 56.683 55.803 0.423 0.000 0.876 381 Q CB 0.069 29.038 28.738 0.384 0.000 0.935 381 Q HN 0.287 nan 8.270 nan 0.000 0.455 382 N N 0.681 119.623 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 0.000 0.000 0.217 382 N C -0.536 175.109 175.510 0.224 0.000 1.124 382 N CA 0.072 53.362 53.050 0.399 0.000 0.843 382 N CB 0.647 39.443 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.134 118.688 118.700 0.202 0.000 2.882 383 N HA -0.168 4.572 4.740 0.000 0.000 0.249 383 N C -0.768 174.654 175.510 -0.147 0.000 1.079 383 N CA 0.630 53.718 53.050 0.063 0.000 0.800 383 N CB -1.798 36.627 38.487 -0.104 0.000 1.124 383 N HN 0.213 nan 8.380 nan 0.000 0.557 384 F N 1.343 121.304 119.950 0.018 0.000 2.371 384 F HA 0.337 4.864 4.527 0.000 0.000 0.329 384 F C 1.833 177.619 175.800 -0.024 0.000 1.107 384 F CA -0.308 57.685 58.000 -0.011 0.000 1.137 384 F CB 0.775 39.742 39.000 -0.054 0.000 1.214 384 F HN 0.067 nan 8.300 nan 0.000 0.536 385 N N 0.422 119.241 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 0.000 0.000 0.226 385 N C -0.870 174.703 175.510 0.106 0.000 1.305 385 N CA 0.064 53.164 53.050 0.084 0.000 0.890 385 N CB 0.704 39.282 38.487 0.151 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.348 122.599 122.820 0.211 0.000 2.606 386 A HA 0.769 5.089 4.320 0.000 0.000 0.293 386 A C -1.706 176.099 177.584 0.369 0.000 1.082 386 A CA -0.607 51.613 52.037 0.304 0.000 0.685 386 A CB 1.790 21.017 19.000 0.380 0.000 1.284 386 A HN 0.364 nan 8.150 nan 0.000 0.408 387 V N 0.964 121.119 119.914 0.401 0.000 2.971 387 V HA 0.831 4.951 4.120 0.000 0.000 0.309 387 V C -0.827 175.353 176.094 0.143 0.000 1.130 387 V CA -0.741 61.744 62.300 0.308 0.000 0.964 387 V CB 1.946 33.840 31.823 0.119 0.000 1.029 387 V HN 1.172 nan 8.190 nan 0.000 0.427 388 R N 4.714 125.130 120.500 -0.141 0.000 2.387 388 R HA 0.496 4.836 4.340 0.000 0.000 0.314 388 R C -0.762 175.372 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.387 56.100 -0.395 0.000 0.846 388 R CB 1.157 30.942 30.300 -0.857 0.000 1.147 388 R HN 0.856 nan 8.270 nan 0.000 0.447 389 C N 4.342 123.518 119.300 -0.206 0.000 3.329 389 C HA 0.099 4.559 4.460 0.000 0.000 0.537 389 C C 0.516 175.210 174.990 -0.493 0.000 1.034 389 C CA -0.451 58.399 59.018 -0.280 0.000 1.086 389 C CB -2.181 25.504 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.471 116.757 115.700 -0.689 0.000 2.465 390 S HA 0.167 4.637 4.470 0.000 0.000 0.280 390 S C -0.124 173.614 174.600 -1.438 0.000 1.232 390 S CA 0.153 57.669 58.200 -1.140 0.000 1.066 390 S CB 0.067 62.496 63.200 -1.284 0.000 0.929 390 S HN 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.490 121.935 119.070 -1.042 0.000 2.597 391 H HA 0.302 4.858 4.556 0.000 0.000 0.225 391 H C -1.180 173.997 175.328 -0.253 0.000 1.422 391 H CA -0.364 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.054 29.682 29.762 -0.042 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.669 117.742 120.300 0.184 0.000 2.841 392 Y HA 0.377 4.927 4.550 0.000 0.000 0.373 392 Y C -3.328 172.681 175.900 0.181 0.000 1.170 392 Y CA -2.899 55.315 58.100 0.189 0.000 1.196 392 Y CB -0.064 38.513 38.460 0.194 0.000 1.433 392 Y HN -0.081 nan 8.280 nan 0.000 0.479 393 P HA 0.187 nan 4.420 nan 0.000 0.271 393 P C -0.688 176.922 177.300 0.517 0.000 1.216 393 P CA 0.131 63.501 63.100 0.449 0.000 0.776 393 P CB 0.648 32.541 31.700 0.320 0.000 0.881 394 N N 0.296 119.313 118.700 0.528 0.000 2.478 394 N HA 0.104 4.844 4.740 0.000 0.000 0.275 394 N C 0.046 175.816 175.510 0.434 0.000 1.221 394 N CA -0.609 52.658 53.050 0.363 0.000 0.979 394 N CB 0.416 38.885 38.487 -0.030 0.000 1.202 394 N HN 0.595 nan 8.380 nan 0.000 0.564 395 H N 1.965 121.152 119.070 0.195 0.000 3.034 395 H HA 0.007 4.563 4.556 0.000 0.000 0.324 395 H C -1.747 173.792 175.328 0.351 0.000 1.015 395 H CA -0.823 55.344 56.048 0.198 0.000 1.429 395 H CB 0.986 30.815 29.762 0.112 0.000 1.429 395 H HN 0.411 nan 8.280 nan 0.000 0.585 396 P HA -0.227 nan 4.420 nan 0.000 0.217 396 P C 1.846 179.488 177.300 0.570 0.000 1.151 396 P CA 0.844 64.186 63.100 0.405 0.000 0.849 396 P CB 0.166 31.897 31.700 0.052 0.000 0.787 397 L N -1.220 120.427 121.223 0.707 0.000 2.131 397 L HA -0.080 4.260 4.340 0.000 0.000 0.210 397 L C 2.316 179.427 176.870 0.400 0.000 1.092 397 L CA 1.478 56.623 54.840 0.509 0.000 0.759 397 L CB -1.417 40.930 42.059 0.480 0.000 0.903 397 L HN 0.060 nan 8.230 nan 0.000 0.435 398 W N -0.264 121.136 121.300 0.167 0.000 2.302 398 W HA -0.395 4.265 4.660 0.000 0.000 0.320 398 W C 2.210 178.637 176.519 -0.153 0.000 1.241 398 W CA 2.206 59.498 57.345 -0.089 0.000 1.264 398 W CB -0.490 28.785 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.633 120.891 120.300 -0.071 0.000 2.207 399 Y HA -0.243 4.307 4.550 0.000 0.000 0.287 399 Y C 2.848 178.531 175.900 -0.361 0.000 1.156 399 Y CA 2.141 59.964 58.100 -0.462 0.000 1.182 399 Y CB -1.427 36.463 38.460 -0.949 0.000 0.979 399 Y HN -0.173 nan 8.280 nan 0.000 0.521 400 T N 0.582 115.174 114.554 0.064 0.000 2.777 400 T HA -0.134 4.216 4.350 0.000 0.000 0.266 400 T C 2.047 176.786 174.700 0.065 0.000 1.040 400 T CA 1.272 63.464 62.100 0.153 0.000 1.141 400 T CB -0.548 68.459 68.868 0.232 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.506 121.744 121.223 0.024 0.000 2.012 401 L HA -0.160 4.180 4.340 0.000 0.000 0.210 401 L C 2.906 179.779 176.870 0.006 0.000 1.073 401 L CA 1.136 56.014 54.840 0.063 0.000 0.748 401 L CB -0.801 41.258 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.361 118.768 119.300 -0.285 0.000 2.425 402 C HA -0.155 4.305 4.460 0.000 0.000 0.277 402 C C 2.426 177.436 174.990 0.033 0.000 1.280 402 C CA 0.392 59.259 59.018 -0.252 0.000 1.744 402 C CB -0.867 26.596 27.740 -0.462 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.492 120.911 120.400 0.033 0.000 2.117 403 D HA -0.099 4.541 4.640 0.000 0.000 0.197 403 D C 2.409 178.874 176.300 0.275 0.000 0.987 403 D CA 1.160 55.243 54.000 0.138 0.000 0.829 403 D CB -0.339 40.511 40.800 0.084 0.000 0.961 403 D HN 0.575 nan 8.370 nan 0.000 0.460 404 R N -0.749 119.819 120.500 0.114 0.000 2.075 404 R HA -0.023 4.317 4.340 0.000 0.000 0.226 404 R C 2.267 178.496 176.300 -0.119 0.000 1.114 404 R CA 0.594 56.689 56.100 -0.008 0.000 0.972 404 R CB -0.366 29.847 30.300 -0.144 0.000 0.869 404 R HN 0.305 nan 8.270 nan 0.000 0.437 405 Y N 0.409 120.724 120.300 0.025 0.000 2.337 405 Y HA 0.093 4.643 4.550 0.000 0.000 0.293 405 Y C 1.077 176.907 175.900 -0.117 0.000 1.123 405 Y CA 0.918 59.001 58.100 -0.029 0.000 1.201 405 Y CB 0.473 38.885 38.460 -0.079 0.000 1.011 405 Y HN 0.309 nan 8.280 nan 0.000 0.545 406 G N 1.111 109.939 108.800 0.047 0.000 2.858 406 G HA2 -0.133 3.827 3.960 0.000 0.000 0.272 406 G HA3 -0.133 3.827 3.960 0.000 0.000 0.272 406 G C -1.172 173.559 174.900 -0.281 0.000 1.003 406 G CA -0.592 44.397 45.100 -0.185 0.000 1.241 406 G HN 0.147 nan 8.290 nan 0.000 0.569 407 L N 1.035 122.163 121.223 -0.158 0.000 2.464 407 L HA 0.465 4.805 4.340 0.000 0.000 0.266 407 L C 0.010 176.836 176.870 -0.073 0.000 0.965 407 L CA -1.266 53.432 54.840 -0.237 0.000 0.833 407 L CB 1.994 43.940 42.059 -0.188 0.000 1.296 407 L HN 0.457 nan 8.230 nan 0.000 0.405 408 Y N 2.080 122.476 120.300 0.159 0.000 2.411 408 Y HA 0.372 4.922 4.550 0.000 0.000 0.333 408 Y C 0.275 176.265 175.900 0.150 0.000 1.186 408 Y CA -0.584 57.637 58.100 0.202 0.000 1.381 408 Y CB 1.133 39.702 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.627 123.702 119.914 0.268 0.000 2.735 409 V HA 0.374 4.494 4.120 0.000 0.000 0.310 409 V C -0.712 175.440 176.094 0.096 0.000 1.061 409 V CA -1.052 61.343 62.300 0.157 0.000 0.913 409 V CB 2.023 33.895 31.823 0.082 0.000 1.005 409 V HN 0.455 nan 8.190 nan 0.000 0.428 410 V N 2.595 122.545 119.914 0.060 0.000 2.328 410 V HA 0.358 4.478 4.120 0.000 0.000 0.278 410 V C -0.388 175.732 176.094 0.044 0.000 1.021 410 V CA -0.409 61.888 62.300 -0.004 0.000 0.838 410 V CB 1.426 33.173 31.823 -0.126 0.000 0.999 410 V HN 0.878 nan 8.190 nan 0.000 0.447 411 D N 4.021 124.478 120.400 0.095 0.000 2.264 411 D HA 0.315 4.955 4.640 0.000 0.000 0.250 411 D C -0.216 176.256 176.300 0.286 0.000 1.113 411 D CA 0.038 54.190 54.000 0.253 0.000 0.871 411 D CB 1.293 42.290 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.713 122.058 120.200 0.242 0.000 2.248 412 E HA 0.616 4.966 4.350 0.000 0.000 0.267 412 E C -1.131 175.608 176.600 0.231 0.000 0.877 412 E CA -1.074 55.456 56.400 0.218 0.000 0.759 412 E CB 1.418 31.197 29.700 0.132 0.000 1.182 412 E HN 0.451 nan 8.360 nan 0.000 0.418 413 A N 3.646 126.598 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 0.000 0.000 0.242 413 A C 0.337 178.048 177.584 0.212 0.000 1.075 413 A CA -0.274 51.876 52.037 0.188 0.000 0.777 413 A CB 0.173 19.251 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.470 120.304 118.700 0.223 0.000 2.892 414 N HA 0.194 4.934 4.740 0.000 0.000 0.300 414 N C -0.921 174.717 175.510 0.214 0.000 1.211 414 N CA 0.277 53.489 53.050 0.269 0.000 1.158 414 N CB -0.900 37.754 38.487 0.278 0.000 1.455 414 N HN 0.469 nan 8.380 nan 0.000 0.524 415 I N 0.673 121.362 120.570 0.199 0.000 2.534 415 I HA 0.271 4.441 4.170 0.000 0.000 0.286 415 I C -0.620 175.591 176.117 0.156 0.000 1.094 415 I CA -0.689 60.709 61.300 0.163 0.000 1.055 415 I CB 1.973 40.044 38.000 0.119 0.000 1.225 415 I HN 0.215 nan 8.210 nan 0.000 0.435 416 E N 4.190 124.480 120.200 0.149 0.000 2.278 416 E HA 0.414 4.764 4.350 0.000 0.000 0.272 416 E C -0.529 176.143 176.600 0.120 0.000 0.890 416 E CA -0.439 56.024 56.400 0.105 0.000 0.770 416 E CB 1.862 31.599 29.700 0.063 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.535 115.153 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 0.000 0.000 0.289 417 T C 0.972 175.736 174.700 0.106 0.000 1.012 417 T CA -0.286 61.902 62.100 0.147 0.000 0.944 417 T CB -0.329 68.595 68.868 0.093 0.000 1.172 417 T HN 0.679 nan 8.240 nan 0.000 0.502 418 H N 1.190 120.191 119.070 -0.116 0.000 2.362 418 H HA -0.133 4.423 4.556 0.000 0.000 0.294 418 H C 2.265 177.470 175.328 -0.205 0.000 1.113 418 H CA 1.441 57.386 56.048 -0.171 0.000 1.253 418 H CB -0.234 29.399 29.762 -0.215 0.000 1.363 418 H HN 0.576 nan 8.280 nan 0.000 0.494 419 G N 0.230 108.868 108.800 -0.270 0.000 2.650 419 G HA2 -0.042 3.918 3.960 0.000 0.000 0.214 419 G HA3 -0.042 3.918 3.960 0.000 0.000 0.214 419 G C 0.644 175.625 174.900 0.135 0.000 1.136 419 G CA -0.141 44.820 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.149 119.881 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 0.000 0.000 0.283 420 M C -0.314 176.021 176.300 0.058 0.000 1.225 420 M CA 0.143 55.536 55.300 0.154 0.000 1.153 420 M CB 1.082 33.728 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.157 122.084 119.914 0.021 0.000 2.653 421 V HA 0.296 4.416 4.120 0.000 0.000 0.298 421 V C -2.113 173.972 176.094 -0.014 0.000 1.097 421 V CA -1.310 60.991 62.300 0.000 0.000 0.908 421 V CB 1.937 33.757 31.823 -0.004 0.000 1.024 421 V HN 0.748 nan 8.190 nan 0.000 0.435 422 P HA 0.215 nan 4.420 nan 0.000 0.273 422 P C 1.135 178.435 177.300 0.001 0.000 1.250 422 P CA -0.457 62.639 63.100 -0.007 0.000 0.793 422 P CB 0.857 32.555 31.700 -0.004 0.000 1.011 423 M N 0.887 120.494 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 0.000 0.000 0.259 423 M C 1.088 177.405 176.300 0.029 0.000 1.071 423 M CA 2.164 57.481 55.300 0.029 0.000 1.074 423 M CB -0.420 32.195 32.600 0.025 0.000 1.384 423 M HN 0.399 nan 8.290 nan 0.000 0.415 424 N N -0.263 118.450 118.700 0.023 0.000 2.251 424 N HA -0.040 4.700 4.740 0.000 0.000 0.217 424 N C 1.053 176.529 175.510 -0.057 0.000 1.124 424 N CA 0.073 53.131 53.050 0.013 0.000 0.843 424 N CB -0.593 37.924 38.487 0.050 0.000 1.024 424 N HN 0.349 nan 8.380 nan 0.000 0.501 425 R N 0.616 121.072 120.500 -0.073 0.000 2.134 425 R HA -0.090 4.250 4.340 0.000 0.000 0.248 425 R C 1.546 177.726 176.300 -0.201 0.000 1.143 425 R CA 1.891 57.921 56.100 -0.115 0.000 0.957 425 R CB -0.160 30.070 30.300 -0.117 0.000 0.867 425 R HN 0.327 nan 8.270 nan 0.000 0.441 426 L N -0.995 120.041 121.223 -0.311 0.000 2.168 426 L HA 0.005 4.345 4.340 0.000 0.000 0.203 426 L C 2.475 179.163 176.870 -0.304 0.000 1.078 426 L CA 1.281 55.807 54.840 -0.523 0.000 0.780 426 L CB -0.767 40.701 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.664 110.749 114.554 -0.234 0.000 2.929 427 T HA -0.209 4.141 4.350 0.000 0.000 0.271 427 T C 1.242 175.819 174.700 -0.204 0.000 1.085 427 T CA 1.437 63.379 62.100 -0.263 0.000 1.125 427 T CB -0.351 68.328 68.868 -0.315 0.000 0.874 427 T HN 0.132 nan 8.240 nan 0.000 0.494 428 D N 1.308 121.629 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.778 4.640 0.000 0.000 0.221 428 D C -0.492 175.778 176.300 -0.051 0.000 1.101 428 D CA -0.224 53.720 54.000 -0.094 0.000 0.837 428 D CB -0.031 40.726 40.800 -0.072 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.594 119.790 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 0.000 0.000 0.246 429 D C -1.829 174.537 176.300 0.109 0.000 1.109 429 D CA -2.320 51.715 54.000 0.057 0.000 0.845 429 D CB 2.236 43.108 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.185 nan 4.420 nan 0.000 0.216 430 P C 1.105 178.415 177.300 0.016 0.000 1.154 430 P CA 1.249 64.362 63.100 0.021 0.000 0.865 430 P CB 0.170 31.871 31.700 0.001 0.000 0.789 431 R N -1.802 118.713 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 0.000 0.000 0.240 431 R C 1.771 177.927 176.300 -0.240 0.000 1.144 431 R CA 1.457 57.491 56.100 -0.110 0.000 0.992 431 R CB -0.830 29.377 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.043 121.198 121.300 -0.098 0.000 3.278 432 W HA 0.146 4.806 4.660 -0.000 0.000 0.308 432 W C 1.586 178.043 176.519 -0.103 0.000 1.253 432 W CA -0.602 56.684 57.345 -0.098 0.000 1.759 432 W CB -0.034 29.363 29.460 -0.105 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.381 123.650 121.223 0.077 0.000 2.042 433 L HA -0.078 4.262 4.340 0.000 0.000 0.210 433 L C -0.749 176.093 176.870 -0.047 0.000 1.076 433 L CA 2.306 57.144 54.840 -0.002 0.000 0.749 433 L CB -1.690 40.353 42.059 -0.025 0.000 0.893 433 L HN -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.105 nan 4.420 nan 0.000 0.215 434 P C 1.663 178.915 177.300 -0.080 0.000 1.157 434 P CA 2.076 65.121 63.100 -0.092 0.000 0.863 434 P CB -0.252 31.384 31.700 -0.105 0.000 0.787 435 A N -0.343 122.444 122.820 -0.055 0.000 1.873 435 A HA -0.240 4.080 4.320 0.000 0.000 0.218 435 A C 2.297 179.891 177.584 0.017 0.000 1.193 435 A CA 2.311 54.347 52.037 -0.002 0.000 0.629 435 A CB -1.641 17.406 19.000 0.078 0.000 0.826 435 A HN 0.075 nan 8.150 nan 0.000 0.447 436 M N -0.171 119.451 119.600 0.036 0.000 2.108 436 M HA -0.184 4.296 4.480 0.000 0.000 0.261 436 M C 2.601 178.851 176.300 -0.084 0.000 1.066 436 M CA 1.917 57.212 55.300 -0.009 0.000 1.107 436 M CB -0.565 32.010 32.600 -0.043 0.000 1.356 436 M HN 0.689 nan 8.290 nan 0.000 0.406 437 S N 0.532 116.158 115.700 -0.124 0.000 2.365 437 S HA -0.221 4.249 4.470 0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.262 0.000 1.039 437 S CA 1.714 59.779 58.200 -0.227 0.000 1.033 437 S CB -0.416 62.642 63.200 -0.237 0.000 0.887 437 S HN 0.488 nan 8.310 nan 0.000 0.447 438 E N 0.649 120.743 120.200 -0.176 0.000 2.110 438 E HA -0.136 4.214 4.350 0.000 0.000 0.193 438 E C 2.454 178.975 176.600 -0.131 0.000 0.988 438 E CA 1.012 57.318 56.400 -0.157 0.000 0.804 438 E CB -0.224 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.582 nan 8.360 nan 0.000 0.458 439 R N 0.172 120.622 120.500 -0.083 0.000 2.120 439 R HA -0.106 4.234 4.340 0.000 0.000 0.234 439 R C 2.348 178.608 176.300 -0.067 0.000 1.123 439 R CA 0.916 56.995 56.100 -0.036 0.000 0.975 439 R CB -0.015 30.298 30.300 0.022 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N -0.000 119.827 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 0.000 0.000 0.242 440 V C 2.357 178.298 176.094 -0.255 0.000 1.036 440 V CA 2.009 64.210 62.300 -0.165 0.000 1.044 440 V CB -0.395 31.316 31.823 -0.188 0.000 0.688 440 V HN 0.513 nan 8.190 nan 0.000 0.462 441 T N -0.214 114.069 114.554 -0.451 0.000 2.665 441 T HA -0.310 4.040 4.350 0.000 0.000 0.268 441 T C 1.945 176.516 174.700 -0.215 0.000 1.035 441 T CA 1.772 63.546 62.100 -0.544 0.000 1.151 441 T CB -0.487 67.953 68.868 -0.715 0.000 0.862 441 T HN 0.403 nan 8.240 nan 0.000 0.438 442 R N 0.463 120.853 120.500 -0.184 0.000 2.081 442 R HA 0.075 4.415 4.340 0.000 0.000 0.235 442 R C 2.718 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.635 57.661 56.100 -0.124 0.000 0.960 442 R CB -0.544 29.692 30.300 -0.108 0.000 0.856 442 R HN 0.488 nan 8.270 nan 0.000 0.436 443 M N 0.813 120.359 119.600 -0.090 0.000 2.080 443 M HA -0.182 4.298 4.480 0.000 0.000 0.260 443 M C 2.008 178.252 176.300 -0.094 0.000 1.068 443 M CA 1.746 57.020 55.300 -0.044 0.000 1.109 443 M CB -0.033 32.581 32.600 0.022 0.000 1.342 443 M HN -0.019 nan 8.290 nan 0.000 0.405 444 V N 0.741 120.505 119.914 -0.250 0.000 2.332 444 V HA -0.316 3.804 4.120 0.000 0.000 0.248 444 V C 2.318 178.302 176.094 -0.184 0.000 1.055 444 V CA 2.183 64.208 62.300 -0.459 0.000 1.038 444 V CB -0.964 30.571 31.823 -0.480 0.000 0.651 444 V HN 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.753 118.977 119.800 -0.116 0.000 2.135 445 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 445 Q C 2.513 178.439 176.000 -0.123 0.000 0.981 445 Q CA 1.784 57.533 55.803 -0.089 0.000 0.856 445 Q CB -0.160 28.547 28.738 -0.051 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.100 120.520 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 0.000 0.000 0.226 446 R C 0.584 176.804 176.300 -0.133 0.000 1.114 446 R CA 1.402 57.396 56.100 -0.177 0.000 0.972 446 R CB 0.367 30.562 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.182 120.205 120.400 -0.022 0.000 2.369 447 D HA -0.010 4.630 4.640 0.000 0.000 0.211 447 D C 1.407 177.808 176.300 0.167 0.000 1.077 447 D CA 0.178 54.214 54.000 0.060 0.000 0.842 447 D CB 0.295 41.104 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.812 121.423 120.500 0.185 0.000 2.303 448 R HA -0.003 4.337 4.340 0.000 0.000 0.225 448 R C 0.994 177.283 176.300 -0.019 0.000 1.114 448 R CA 1.096 57.318 56.100 0.204 0.000 1.007 448 R CB -0.421 29.966 30.300 0.145 0.000 0.861 448 R HN -0.029 nan 8.270 nan 0.000 0.471 449 N N 0.284 118.887 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 0.000 0.000 0.184 449 N C -0.407 174.956 175.510 -0.245 0.000 1.101 449 N CA 0.254 53.163 53.050 -0.235 0.000 0.881 449 N CB 0.060 38.356 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.574 120.559 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 0.000 0.000 0.302 450 H C -1.201 173.962 175.328 -0.274 0.000 1.069 450 H CA -1.204 54.741 56.048 -0.171 0.000 1.446 450 H CB 1.541 31.238 29.762 -0.108 0.000 1.462 450 H HN 0.030 nan 8.280 nan 0.000 0.499 451 P HA -0.154 nan 4.420 nan 0.000 0.218 451 P C 1.385 178.266 177.300 -0.698 0.000 1.148 451 P CA 1.169 63.925 63.100 -0.574 0.000 0.822 451 P CB 0.212 31.317 31.700 -0.991 0.000 0.784 452 S N -1.310 114.050 115.700 -0.566 0.000 2.447 452 S HA -0.013 4.457 4.470 0.000 0.000 0.233 452 S C 1.052 175.616 174.600 -0.061 0.000 1.006 452 S CA 0.171 58.214 58.200 -0.262 0.000 0.957 452 S CB -1.312 61.853 63.200 -0.058 0.000 0.773 452 S HN -0.069 nan 8.310 nan 0.000 0.507 453 V N 3.477 123.315 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.382 4.120 0.000 0.000 0.276 453 V C 0.985 176.930 176.094 -0.249 0.000 1.040 453 V CA -0.078 62.114 62.300 -0.181 0.000 1.008 453 V CB 0.614 32.235 31.823 -0.337 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.663 123.129 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 0.000 0.000 0.331 454 I C 0.241 176.231 176.117 -0.211 0.000 1.348 454 I CA 0.337 61.543 61.300 -0.157 0.000 1.152 454 I CB 0.495 38.481 38.000 -0.023 0.000 1.151 454 I HN 0.312 nan 8.210 nan 0.000 0.410 455 I N 0.246 120.663 120.570 -0.254 0.000 2.752 455 I HA 0.369 4.539 4.170 0.000 0.000 0.295 455 I C -1.626 174.371 176.117 -0.199 0.000 1.219 455 I CA -0.433 60.761 61.300 -0.177 0.000 1.030 455 I CB 2.166 40.160 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.548 124.893 121.300 0.075 0.000 2.496 456 W HA 0.637 5.297 4.660 0.000 0.000 0.327 456 W C 0.311 176.893 176.519 0.105 0.000 1.086 456 W CA -0.703 56.692 57.345 0.085 0.000 1.222 456 W CB 1.726 31.230 29.460 0.074 0.000 1.304 456 W HN 0.310 nan 8.180 nan 0.000 0.547 457 S N 2.892 118.822 115.700 0.383 0.000 2.532 457 S HA 0.390 4.860 4.470 0.000 0.000 0.299 457 S C 0.250 175.020 174.600 0.283 0.000 1.105 457 S CA -0.710 57.665 58.200 0.291 0.000 1.018 457 S CB 0.815 64.140 63.200 0.208 0.000 1.021 457 S HN 0.595 nan 8.310 nan 0.000 0.483 458 L N 4.097 125.485 121.223 0.275 0.000 2.610 458 L HA 0.317 4.657 4.340 0.000 0.000 0.232 458 L C 1.425 178.390 176.870 0.158 0.000 1.149 458 L CA 0.578 55.517 54.840 0.165 0.000 0.872 458 L CB -1.218 40.845 42.059 0.006 0.000 0.992 458 L HN 0.998 nan 8.230 nan 0.000 0.447 459 G N -0.005 108.960 108.800 0.274 0.000 2.250 459 G HA2 -0.099 3.861 3.960 0.000 0.000 0.252 459 G HA3 -0.099 3.861 3.960 0.000 0.000 0.252 459 G C -1.662 173.430 174.900 0.320 0.000 1.325 459 G CA -0.528 44.729 45.100 0.262 0.000 1.091 459 G HN 0.183 nan 8.290 nan 0.000 0.476 460 N N 0.185 119.026 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 0.000 0.000 0.268 460 N C -0.532 174.942 175.510 -0.059 0.000 1.184 460 N CA 0.150 53.196 53.050 -0.007 0.000 0.875 460 N CB 1.397 39.619 38.487 -0.440 0.000 1.630 460 N HN 0.948 nan 8.380 nan 0.000 0.486 461 E N 0.720 120.791 120.200 -0.216 0.000 2.131 461 E HA -0.198 4.152 4.350 0.000 0.000 0.166 461 E C -0.840 175.691 176.600 -0.115 0.000 1.514 461 E CA 0.792 56.994 56.400 -0.330 0.000 0.646 461 E CB -1.563 27.644 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.056 115.833 115.700 0.128 0.000 2.941 462 S HA 0.415 4.885 4.470 0.000 0.000 0.251 462 S C 0.762 175.534 174.600 0.287 0.000 1.029 462 S CA -0.177 58.148 58.200 0.208 0.000 1.062 462 S CB 1.405 64.776 63.200 0.285 0.000 0.977 462 S HN 0.903 nan 8.310 nan 0.000 0.552 463 G N 2.060 110.974 108.800 0.190 0.000 2.575 463 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 463 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 463 G C -0.501 174.619 174.900 0.367 0.000 1.264 463 G CA 0.020 45.234 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.499 119.698 119.070 0.215 0.000 2.840 464 H HA 0.582 5.138 4.556 0.000 0.000 0.340 464 H C 0.157 175.663 175.328 0.297 0.000 1.004 464 H CA 0.090 56.292 56.048 0.257 0.000 1.288 464 H CB 0.934 30.775 29.762 0.132 0.000 1.607 464 H HN 1.219 nan 8.280 nan 0.000 0.522 465 G N 1.399 110.203 108.800 0.005 0.000 2.680 465 G HA2 0.458 4.418 3.960 0.000 0.000 0.290 465 G HA3 0.458 4.418 3.960 0.000 0.000 0.290 465 G C 0.502 175.232 174.900 -0.284 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.237 0.000 0.903 465 G HN 0.656 nan 8.290 nan 0.000 0.474 466 A N 0.367 123.068 122.820 -0.197 0.000 1.986 466 A HA -0.120 4.200 4.320 0.000 0.000 0.220 466 A C 2.117 179.664 177.584 -0.061 0.000 1.171 466 A CA 2.048 54.026 52.037 -0.098 0.000 0.640 466 A CB -0.461 18.508 19.000 -0.052 0.000 0.811 466 A HN 0.549 nan 8.150 nan 0.000 0.451 467 N N -0.296 118.325 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 0.000 0.000 0.186 467 N C 1.372 176.819 175.510 -0.106 0.000 1.015 467 N CA 1.728 54.693 53.050 -0.141 0.000 0.862 467 N CB -0.705 37.667 38.487 -0.192 0.000 0.986 467 N HN 0.801 nan 8.380 nan 0.000 0.429 468 H N 0.488 119.512 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 0.000 0.000 0.300 468 H C 1.276 176.655 175.328 0.086 0.000 1.087 468 H CA 1.330 57.349 56.048 -0.048 0.000 1.319 468 H CB 0.129 29.855 29.762 -0.061 0.000 1.379 468 H HN 0.164 nan 8.280 nan 0.000 0.501 469 D N 0.496 121.041 120.400 0.242 0.000 2.104 469 D HA -0.159 4.481 4.640 0.000 0.000 0.194 469 D C 2.301 178.750 176.300 0.248 0.000 0.994 469 D CA 1.246 55.387 54.000 0.236 0.000 0.830 469 D CB -0.562 40.347 40.800 0.181 0.000 0.959 469 D HN 0.431 nan 8.370 nan 0.000 0.452 470 A N 0.700 123.616 122.820 0.160 0.000 1.908 470 A HA -0.137 4.183 4.320 0.000 0.000 0.218 470 A C 2.408 180.102 177.584 0.184 0.000 1.181 470 A CA 1.019 53.143 52.037 0.145 0.000 0.627 470 A CB -0.741 18.302 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.316 119.004 121.223 0.162 0.000 2.109 471 L HA -0.131 4.209 4.340 0.000 0.000 0.207 471 L C 2.561 179.580 176.870 0.249 0.000 1.086 471 L CA 1.475 56.411 54.840 0.161 0.000 0.760 471 L CB -0.682 41.406 42.059 0.048 0.000 0.910 471 L HN 0.599 nan 8.230 nan 0.000 0.437 472 Y N 0.910 121.295 120.300 0.143 0.000 2.081 472 Y HA -0.309 4.241 4.550 0.000 0.000 0.280 472 Y C 2.899 178.881 175.900 0.137 0.000 1.163 472 Y CA 1.599 59.784 58.100 0.142 0.000 1.135 472 Y CB -0.206 38.337 38.460 0.139 0.000 0.970 472 Y HN -0.058 nan 8.280 nan 0.000 0.498 473 R N 0.053 120.681 120.500 0.213 0.000 2.083 473 R HA -0.253 4.087 4.340 0.000 0.000 0.237 473 R C 2.116 178.418 176.300 0.005 0.000 1.137 473 R CA 2.049 58.201 56.100 0.086 0.000 0.951 473 R CB -1.735 28.686 30.300 0.202 0.000 0.851 473 R HN 0.681 nan 8.270 nan 0.000 0.434 474 W N 1.244 122.504 121.300 -0.065 0.000 2.318 474 W HA -0.197 4.463 4.660 0.000 0.000 0.313 474 W C 1.964 178.392 176.519 -0.152 0.000 1.221 474 W CA 1.953 59.244 57.345 -0.090 0.000 1.266 474 W CB -0.442 28.969 29.460 -0.081 0.000 1.150 474 W HN 0.035 nan 8.180 nan 0.000 0.496 475 I N 0.649 121.204 120.570 -0.025 0.000 2.226 475 I HA -0.335 3.835 4.170 0.000 0.000 0.245 475 I C 2.405 178.288 176.117 -0.391 0.000 1.100 475 I CA 1.338 62.451 61.300 -0.311 0.000 1.374 475 I CB -0.912 36.987 38.000 -0.169 0.000 1.057 475 I HN -0.092 nan 8.210 nan 0.000 0.413 476 K N 1.104 121.303 120.400 -0.335 0.000 2.113 476 K HA -0.140 4.180 4.320 0.000 0.000 0.208 476 K C 2.221 178.670 176.600 -0.252 0.000 1.047 476 K CA 1.663 57.779 56.287 -0.285 0.000 0.928 476 K CB -0.590 31.729 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.403 115.913 115.700 -0.317 0.000 2.395 477 S HA -0.037 4.433 4.470 0.000 0.000 0.225 477 S C 2.230 176.605 174.600 -0.375 0.000 1.027 477 S CA 0.800 58.821 58.200 -0.298 0.000 0.965 477 S CB -0.172 62.865 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.378 120.928 119.914 -0.607 0.000 2.488 478 V HA 0.057 4.177 4.120 0.000 0.000 0.246 478 V C 0.380 176.237 176.094 -0.395 0.000 1.046 478 V CA 1.251 63.181 62.300 -0.616 0.000 1.053 478 V CB -0.258 30.876 31.823 -1.148 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.882 119.322 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 0.000 0.000 0.248 479 D C -2.240 174.041 176.300 -0.032 0.000 1.326 479 D CA -1.655 52.270 54.000 -0.125 0.000 0.973 479 D CB 1.903 42.711 40.800 0.013 0.000 1.255 479 D HN 0.070 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.245 480 P C 1.201 178.517 177.300 0.028 0.000 1.206 480 P CA 0.285 63.374 63.100 -0.019 0.000 0.781 480 P CB 0.288 31.968 31.700 -0.034 0.000 0.994 481 S N -0.603 115.125 115.700 0.047 0.000 2.481 481 S HA -0.004 4.466 4.470 0.000 0.000 0.231 481 S C 0.890 175.520 174.600 0.049 0.000 0.996 481 S CA 0.101 58.333 58.200 0.053 0.000 0.942 481 S CB -0.434 62.792 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.826 121.375 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 0.000 0.000 0.277 482 R C -3.210 173.156 176.300 0.109 0.000 0.987 482 R CA -2.322 53.799 56.100 0.036 0.000 0.901 482 R CB 1.438 31.651 30.300 -0.145 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.219 nan 4.420 nan 0.000 0.276 483 P C -0.820 176.582 177.300 0.170 0.000 1.244 483 P CA -0.525 62.638 63.100 0.105 0.000 0.801 483 P CB 0.866 32.611 31.700 0.075 0.000 1.006 484 V N 2.141 122.180 119.914 0.207 0.000 2.555 484 V HA 0.451 4.571 4.120 0.000 0.000 0.302 484 V C 0.170 176.442 176.094 0.297 0.000 1.038 484 V CA -0.387 62.082 62.300 0.282 0.000 0.887 484 V CB 1.373 33.348 31.823 0.253 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.435 123.396 119.800 0.268 0.000 2.451 485 Q HA 0.820 5.160 4.340 0.000 0.000 0.281 485 Q C -1.798 174.365 176.000 0.271 0.000 1.099 485 Q CA -0.980 54.952 55.803 0.215 0.000 0.806 485 Q CB 2.954 31.765 28.738 0.121 0.000 1.419 485 Q HN 0.651 nan 8.270 nan 0.000 0.427 486 Y N 0.128 120.447 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 0.000 0.000 0.319 486 Y C -0.445 175.408 175.900 -0.080 0.000 1.225 486 Y CA -0.633 57.455 58.100 -0.020 0.000 1.095 486 Y CB 2.017 40.459 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.554 123.281 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 0.000 0.000 0.192 487 E C 0.748 176.918 176.600 -0.718 0.000 0.986 487 E CA 0.799 56.838 56.400 -0.602 0.000 0.849 487 E CB 0.188 29.649 29.700 -0.397 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.005 107.978 108.800 -1.379 0.000 2.464 488 G HA2 0.173 4.133 3.960 0.000 0.000 0.231 488 G HA3 0.173 4.133 3.960 0.000 0.000 0.231 488 G C 0.790 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.372 45.062 45.100 -0.684 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.358 108.406 108.800 -0.060 0.000 2.221 489 G HA2 0.233 4.193 3.960 0.000 0.000 0.265 489 G HA3 0.233 4.193 3.960 0.000 0.000 0.265 489 G C 1.291 176.189 174.900 -0.004 0.000 1.041 489 G CA 1.003 46.122 45.100 0.033 0.000 0.807 489 G HN 2.636 nan 8.290 nan 0.000 0.502 490 G N -1.665 107.130 108.800 -0.010 0.000 2.229 490 G HA2 0.410 4.370 3.960 0.000 0.000 0.189 490 G HA3 0.410 4.370 3.960 0.000 0.000 0.189 490 G C 1.103 176.102 174.900 0.164 0.000 1.000 490 G CA 1.306 46.456 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.221 122.591 122.820 -0.013 0.000 3.413 491 A HA -0.108 4.212 4.320 0.000 0.000 0.268 491 A C 1.104 178.649 177.584 -0.065 0.000 1.128 491 A CA 2.658 54.640 52.037 -0.091 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.148 0.000 1.121 491 A HN 2.109 nan 8.150 nan 0.000 0.895 492 D N -1.161 119.267 120.400 0.047 0.000 2.636 492 D HA 0.294 4.934 4.640 0.000 0.000 0.270 492 D C 0.461 176.756 176.300 -0.008 0.000 1.430 492 D CA 0.825 54.862 54.000 0.063 0.000 0.796 492 D CB -1.158 39.821 40.800 0.298 0.000 1.117 492 D HN 0.839 nan 8.370 nan 0.000 0.480 493 T N -2.660 111.824 114.554 -0.118 0.000 2.698 493 T HA 0.128 4.478 4.350 0.000 0.000 0.295 493 T C 1.624 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.564 62.522 62.100 -0.236 0.000 0.980 493 T CB 1.093 69.609 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.571 112.843 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 0.000 0.000 0.270 494 T C 1.713 176.148 174.700 -0.442 0.000 1.107 494 T CA 0.880 62.851 62.100 -0.215 0.000 1.118 494 T CB -0.893 67.920 68.868 -0.093 0.000 0.889 494 T HN 0.845 nan 8.240 nan 0.000 0.506 495 A N 0.110 122.702 122.820 -0.381 0.000 2.337 495 A HA 0.451 4.771 4.320 0.000 0.000 0.227 495 A C 1.009 178.404 177.584 -0.315 0.000 1.259 495 A CA 0.115 51.872 52.037 -0.467 0.000 0.870 495 A CB -0.221 18.776 19.000 -0.005 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.690 112.720 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 0.000 0.000 0.299 496 T C -0.545 174.184 174.700 0.050 0.000 1.052 496 T CA -0.468 61.638 62.100 0.011 0.000 0.996 496 T CB 1.350 70.225 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.537 123.045 120.400 0.179 0.000 2.348 497 D HA 0.306 4.946 4.640 0.000 0.000 0.211 497 D C 0.276 176.613 176.300 0.062 0.000 0.998 497 D CA 0.671 54.761 54.000 0.150 0.000 0.873 497 D CB 0.397 41.313 40.800 0.193 0.000 0.925 497 D HN 0.524 nan 8.370 nan 0.000 0.524 498 I N 0.602 121.190 120.570 0.030 0.000 2.686 498 I HA 0.262 4.432 4.170 0.000 0.000 0.295 498 I C -0.381 175.681 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.336 61.300 -0.029 0.000 1.038 498 I CB 2.977 40.967 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.160 125.632 120.570 -0.163 0.000 2.436 499 I HA 0.096 4.266 4.170 0.000 0.000 0.289 499 I C -0.000 175.926 176.117 -0.319 0.000 1.083 499 I CA -0.054 61.065 61.300 -0.302 0.000 1.372 499 I CB 0.162 37.887 38.000 -0.459 0.000 1.408 499 I HN 0.633 nan 8.210 nan 0.000 0.516 500 C N 5.494 124.621 119.300 -0.288 0.000 3.414 500 C HA 0.486 4.946 4.460 0.000 0.000 0.208 500 C C -2.223 172.628 174.990 -0.231 0.000 1.422 500 C CA -2.273 56.615 59.018 -0.215 0.000 1.437 500 C CB -0.925 26.747 27.740 -0.114 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.372 nan 4.420 nan 0.000 0.274 501 P C -0.464 176.761 177.300 -0.124 0.000 1.256 501 P CA 0.073 63.049 63.100 -0.206 0.000 0.795 501 P CB 0.726 32.281 31.700 -0.243 0.000 1.038 502 M N -0.164 119.391 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 0.000 0.000 0.323 502 M C -0.942 175.333 176.300 -0.042 0.000 1.004 502 M CA -0.598 54.576 55.300 -0.210 0.000 0.941 502 M CB 1.277 33.727 32.600 -0.249 0.000 1.579 502 M HN 0.348 nan 8.290 nan 0.000 0.427 503 Y N -0.115 120.324 120.300 0.232 0.000 4.490 503 Y HA -0.214 4.336 4.550 0.000 0.000 0.233 503 Y C 0.479 176.526 175.900 0.245 0.000 1.101 503 Y CA 0.427 58.668 58.100 0.235 0.000 2.010 503 Y CB -2.256 36.312 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.273 124.290 122.820 0.329 0.000 2.425 504 A HA 0.579 4.899 4.320 0.000 0.000 0.249 504 A C 0.707 178.485 177.584 0.324 0.000 1.084 504 A CA -0.475 51.758 52.037 0.326 0.000 0.781 504 A CB 0.393 19.612 19.000 0.364 0.000 1.019 504 A HN 0.398 nan 8.150 nan 0.000 0.490 505 R N 1.568 122.196 120.500 0.212 0.000 2.577 505 R HA 0.299 4.639 4.340 0.000 0.000 0.269 505 R C 0.981 177.252 176.300 -0.048 0.000 1.084 505 R CA -0.731 55.429 56.100 0.101 0.000 1.163 505 R CB 0.576 30.911 30.300 0.058 0.000 1.100 505 R HN 0.480 nan 8.270 nan 0.000 0.547 506 V N 0.862 120.596 119.914 -0.300 0.000 2.261 506 V HA -0.228 3.892 4.120 0.000 0.000 0.246 506 V C 1.028 177.002 176.094 -0.201 0.000 1.047 506 V CA 1.934 64.004 62.300 -0.384 0.000 1.015 506 V CB -0.244 31.238 31.823 -0.568 0.000 0.642 506 V HN 0.780 nan 8.190 nan 0.000 0.446 507 D N -0.970 119.346 120.400 -0.141 0.000 2.474 507 D HA 0.107 4.747 4.640 0.000 0.000 0.213 507 D C 0.625 176.906 176.300 -0.032 0.000 1.120 507 D CA 0.070 54.022 54.000 -0.080 0.000 0.836 507 D CB 0.595 41.352 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.186 121.374 120.200 -0.019 0.000 2.191 508 E HA 0.367 4.717 4.350 0.000 0.000 0.274 508 E C -0.855 175.750 176.600 0.009 0.000 0.948 508 E CA -0.773 55.625 56.400 -0.005 0.000 0.802 508 E CB 1.616 31.311 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.342 122.743 120.400 0.003 0.000 2.225 509 D HA 0.149 4.789 4.640 0.000 0.000 0.249 509 D C -0.607 175.590 176.300 -0.171 0.000 1.052 509 D CA -0.218 53.773 54.000 -0.014 0.000 0.909 509 D CB 1.357 42.215 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.574 121.159 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 0.000 0.000 0.252 510 Q C -2.287 173.038 176.000 -1.125 0.000 1.015 510 Q CA -1.594 53.787 55.803 -0.702 0.000 0.720 510 Q CB 2.453 30.816 28.738 -0.624 0.000 1.215 510 Q HN 0.133 nan 8.270 nan 0.000 0.500 511 P HA 0.067 nan 4.420 nan 0.000 0.214 511 P C -0.782 176.169 177.300 -0.581 0.000 1.826 511 P CA -0.153 62.509 63.100 -0.730 0.000 0.977 511 P CB -0.544 30.933 31.700 -0.372 0.000 1.930 512 F N 2.297 122.099 119.950 -0.247 0.000 2.459 512 F HA 0.241 4.768 4.527 0.000 0.000 0.346 512 F C -1.188 174.506 175.800 -0.176 0.000 1.128 512 F CA -2.605 55.294 58.000 -0.168 0.000 1.268 512 F CB -0.446 38.472 39.000 -0.136 0.000 1.161 512 F HN 0.045 nan 8.300 nan 0.000 0.583 513 P HA 0.063 nan 4.420 nan 0.000 0.268 513 P C 0.338 177.656 177.300 0.029 0.000 1.204 513 P CA 0.913 64.032 63.100 0.031 0.000 0.768 513 P CB 1.153 32.872 31.700 0.032 0.000 0.842 514 A N 3.018 125.841 122.820 0.005 0.000 3.292 514 A HA -0.247 4.073 4.320 0.000 0.000 0.241 514 A C 0.687 178.271 177.584 -0.000 0.000 0.569 514 A CA 2.061 54.104 52.037 0.010 0.000 1.149 514 A CB -2.638 16.372 19.000 0.016 0.000 1.321 514 A HN 0.736 nan 8.150 nan 0.000 0.679 515 V N -3.721 116.193 119.914 0.001 0.000 2.703 515 V HA 0.543 4.663 4.120 0.000 0.000 0.290 515 V C -2.642 173.455 176.094 0.004 0.000 1.035 515 V CA -1.103 61.196 62.300 -0.002 0.000 1.185 515 V CB 0.826 32.663 31.823 0.022 0.000 1.178 515 V HN 0.445 nan 8.190 nan 0.000 0.562 516 P HA 0.343 nan 4.420 nan 0.000 0.272 516 P C -0.713 176.117 177.300 -0.785 0.000 1.230 516 P CA 0.089 62.808 63.100 -0.636 0.000 0.788 516 P CB 0.991 31.919 31.700 -1.287 0.000 0.949 517 K N 1.916 121.875 120.400 -0.736 0.000 2.464 517 K HA 0.235 4.555 4.320 0.000 0.000 0.252 517 K C -0.518 175.789 176.600 -0.489 0.000 1.000 517 K CA -0.263 55.785 56.287 -0.399 0.000 0.951 517 K CB 0.699 33.255 32.500 0.094 0.000 1.183 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.584 122.624 121.300 -0.434 0.000 2.126 518 W HA 0.046 4.706 4.660 0.000 0.000 0.346 518 W C 1.346 177.892 176.519 0.045 0.000 1.279 518 W CA -0.673 56.505 57.345 -0.278 0.000 1.259 518 W CB 0.533 29.670 29.460 -0.539 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.205 119.074 115.700 0.282 0.000 2.558 519 S HA -0.076 4.394 4.470 0.000 0.000 0.288 519 S C 1.082 175.832 174.600 0.249 0.000 1.318 519 S CA -0.210 58.093 58.200 0.172 0.000 1.056 519 S CB 0.286 63.519 63.200 0.055 0.000 0.853 519 S HN 0.555 nan 8.310 nan 0.000 0.505 520 I N 1.106 121.778 120.570 0.171 0.000 2.454 520 I HA -0.160 4.010 4.170 0.000 0.000 0.254 520 I C 1.856 177.989 176.117 0.027 0.000 1.156 520 I CA 1.113 62.513 61.300 0.166 0.000 1.433 520 I CB -0.574 37.456 38.000 0.051 0.000 1.082 520 I HN 0.664 nan 8.210 nan 0.000 0.432 521 K N 2.135 122.456 120.400 -0.132 0.000 2.097 521 K HA -0.173 4.147 4.320 0.000 0.000 0.205 521 K C 2.152 178.729 176.600 -0.039 0.000 1.050 521 K CA 1.609 57.741 56.287 -0.258 0.000 0.938 521 K CB -0.339 31.896 32.500 -0.442 0.000 0.718 521 K HN 0.441 nan 8.250 nan 0.000 0.442 522 K N 0.697 121.101 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 0.000 0.000 0.204 522 K C 1.924 178.525 176.600 0.002 0.000 1.052 522 K CA 0.675 56.948 56.287 -0.023 0.000 0.945 522 K CB -0.091 32.366 32.500 -0.073 0.000 0.722 522 K HN 0.195 nan 8.250 nan 0.000 0.443 523 W N 2.040 123.299 121.300 -0.068 0.000 2.321 523 W HA -0.208 4.452 4.660 0.000 0.000 0.306 523 W C 1.550 178.028 176.519 -0.068 0.000 1.217 523 W CA 1.296 58.610 57.345 -0.051 0.000 1.257 523 W CB -0.575 28.955 29.460 0.117 0.000 1.145 523 W HN 0.120 nan 8.180 nan 0.000 0.509 524 L N 0.852 122.217 121.223 0.237 0.000 2.127 524 L HA -0.254 4.086 4.340 0.000 0.000 0.211 524 L C 2.564 179.486 176.870 0.087 0.000 1.089 524 L CA 1.910 56.830 54.840 0.133 0.000 0.757 524 L CB -0.989 41.127 42.059 0.095 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.957 114.771 115.700 0.047 0.000 2.558 525 S HA 0.109 4.579 4.470 0.000 0.000 0.217 525 S C 0.824 175.395 174.600 -0.048 0.000 0.975 525 S CA -0.408 57.792 58.200 0.001 0.000 0.912 525 S CB -0.461 62.734 63.200 -0.008 0.000 0.776 525 S HN 0.205 nan 8.310 nan 0.000 0.526 526 L N 2.522 123.700 121.223 -0.076 0.000 2.543 526 L HA 0.195 4.535 4.340 0.000 0.000 0.285 526 L C -2.227 174.605 176.870 -0.062 0.000 1.236 526 L CA -1.542 53.218 54.840 -0.134 0.000 0.871 526 L CB -0.418 41.526 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.841 178.129 177.300 -0.019 0.000 1.185 527 P CA 0.928 64.002 63.100 -0.043 0.000 0.763 527 P CB 0.628 32.297 31.700 -0.051 0.000 0.776 528 G N 2.068 110.864 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.074 45.179 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.240 121.458 120.200 0.030 0.000 2.344 529 E HA 0.556 4.906 4.350 0.000 0.000 0.270 529 E C 1.420 178.043 176.600 0.038 0.000 1.021 529 E CA 0.833 57.265 56.400 0.053 0.000 0.887 529 E CB 0.769 30.529 29.700 0.101 0.000 0.997 529 E HN 0.577 nan 8.360 nan 0.000 0.429 530 T N 0.748 115.321 114.554 0.033 0.000 3.009 530 T HA 0.311 4.661 4.350 0.000 0.000 0.267 530 T C 0.625 175.333 174.700 0.014 0.000 0.942 530 T CA -0.429 61.684 62.100 0.022 0.000 0.883 530 T CB 0.091 68.971 68.868 0.020 0.000 1.192 530 T HN 0.265 nan 8.240 nan 0.000 0.524 531 R N 2.270 122.776 120.500 0.009 0.000 2.707 531 R HA 0.436 4.776 4.340 0.000 0.000 0.270 531 R C -2.523 173.759 176.300 -0.031 0.000 1.083 531 R CA -1.591 54.504 56.100 -0.009 0.000 1.182 531 R CB -0.001 30.289 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.167 nan 4.420 nan 0.000 0.278 532 P C -1.151 176.080 177.300 -0.115 0.000 1.258 532 P CA -0.278 62.780 63.100 -0.069 0.000 0.811 532 P CB 0.736 32.395 31.700 -0.068 0.000 1.063 533 L N 1.978 123.112 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 0.000 0.000 0.274 533 L C -1.235 175.496 176.870 -0.230 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.854 42.773 42.059 -0.234 0.000 1.263 533 L HN 0.228 nan 8.230 nan 0.000 0.410 534 I N 5.332 125.769 120.570 -0.222 0.000 2.512 534 I HA 0.280 4.450 4.170 0.000 0.000 0.287 534 I C -0.907 175.110 176.117 -0.167 0.000 1.069 534 I CA -0.538 60.621 61.300 -0.235 0.000 1.056 534 I CB 2.098 40.006 38.000 -0.153 0.000 1.229 534 I HN 0.463 nan 8.210 nan 0.000 0.429 535 L N 5.560 126.656 121.223 -0.211 0.000 2.367 535 L HA 0.117 4.457 4.340 0.000 0.000 0.275 535 L C 1.382 178.315 176.870 0.105 0.000 1.129 535 L CA -0.214 54.566 54.840 -0.100 0.000 0.839 535 L CB 0.765 42.745 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.021 119.363 119.300 0.070 0.000 2.464 536 C HA 0.175 4.635 4.460 0.000 0.000 0.278 536 C C 0.679 175.783 174.990 0.191 0.000 1.375 536 C CA -0.147 58.956 59.018 0.141 0.000 1.761 536 C CB -0.965 26.775 27.740 -0.000 0.000 1.944 536 C HN 0.843 nan 8.230 nan 0.000 0.509 537 E N -0.899 119.334 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 0.000 0.000 0.277 537 E C -1.271 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.398 55.999 56.400 -0.006 0.000 0.764 537 E CB 2.034 31.485 29.700 -0.415 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.388 119.871 120.300 -0.069 0.000 2.656 538 Y HA 0.630 5.180 4.550 0.000 0.000 0.334 538 Y C -0.733 175.324 175.900 0.262 0.000 1.179 538 Y CA -0.892 57.204 58.100 -0.007 0.000 1.050 538 Y CB 0.977 39.311 38.460 -0.211 0.000 1.308 538 Y HN 0.660 nan 8.280 nan 0.000 0.456 539 A N 2.227 125.102 122.820 0.092 0.000 2.303 539 A HA -0.273 4.047 4.320 0.000 0.000 0.286 539 A C -0.247 177.453 177.584 0.194 0.000 1.429 539 A CA 1.075 53.154 52.037 0.070 0.000 0.738 539 A CB -2.498 16.421 19.000 -0.135 0.000 1.149 539 A HN 1.114 nan 8.150 nan 0.000 0.364 540 H N 0.552 119.765 119.070 0.238 0.000 3.257 540 H HA 0.159 4.715 4.556 0.000 0.000 0.256 540 H C 1.267 176.638 175.328 0.071 0.000 0.885 540 H CA 0.801 56.982 56.048 0.223 0.000 1.406 540 H CB 0.386 30.155 29.762 0.012 0.000 1.506 540 H HN 0.840 nan 8.280 nan 0.000 0.527 541 A N 6.453 129.144 122.820 -0.214 0.000 2.416 541 A HA 0.030 4.350 4.320 0.000 0.000 0.252 541 A C 0.982 178.387 177.584 -0.299 0.000 1.353 541 A CA -0.342 51.550 52.037 -0.242 0.000 0.996 541 A CB -0.536 18.316 19.000 -0.246 0.000 0.961 541 A HN 0.790 nan 8.150 nan 0.000 0.523 542 M N 1.312 120.701 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 0.000 0.000 0.343 542 M C 0.982 177.141 176.300 -0.234 0.000 1.470 542 M CA 1.240 56.368 55.300 -0.286 0.000 1.161 542 M CB -0.374 32.089 32.600 -0.229 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.507 113.158 108.800 -0.248 0.000 2.550 543 G HA2 -0.339 3.621 3.960 0.000 0.000 0.277 543 G HA3 -0.339 3.621 3.960 0.000 0.000 0.277 543 G C -0.186 174.284 174.900 -0.715 0.000 1.190 543 G CA 0.069 44.887 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.499 119.603 118.700 -0.992 0.000 2.466 544 N HA 0.507 5.247 4.740 0.000 0.000 0.263 544 N C 0.022 175.283 175.510 -0.415 0.000 1.178 544 N CA 1.111 53.698 53.050 -0.770 0.000 0.983 544 N CB 0.420 38.460 38.487 -0.745 0.000 1.331 544 N HN 0.747 nan 8.380 nan 0.000 0.500 545 S N 1.698 117.234 115.700 -0.275 0.000 3.144 545 S HA 0.581 5.051 4.470 0.000 0.000 0.325 545 S C -0.110 174.414 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.166 63.276 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.207 121.383 121.223 -0.078 0.000 4.613 546 L HA -0.070 4.270 4.340 0.000 0.000 0.409 546 L C 0.451 177.349 176.870 0.046 0.000 1.100 546 L CA 0.915 55.731 54.840 -0.040 0.000 1.029 546 L CB -1.729 40.225 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.757 108.043 108.800 -0.000 0.000 2.343 547 G HA2 0.486 4.446 3.960 0.000 0.000 0.254 547 G HA3 0.486 4.446 3.960 0.000 0.000 0.254 547 G C 1.214 176.157 174.900 0.070 0.000 1.277 547 G CA 0.192 45.277 45.100 -0.025 0.000 0.909 547 G HN 1.382 nan 8.290 nan 0.000 0.502 548 G N 1.876 110.730 108.800 0.091 0.000 2.179 548 G HA2 -0.293 3.667 3.960 0.000 0.000 0.220 548 G HA3 -0.293 3.667 3.960 0.000 0.000 0.220 548 G C 1.025 176.127 174.900 0.336 0.000 0.990 548 G CA 0.642 45.847 45.100 0.176 0.000 0.646 548 G HN 0.736 nan 8.290 nan 0.000 0.517 549 F N 2.069 122.148 119.950 0.216 0.000 2.087 549 F HA 0.015 4.542 4.527 0.000 0.000 0.299 549 F C 2.739 178.772 175.800 0.387 0.000 1.100 549 F CA 2.852 61.049 58.000 0.328 0.000 1.226 549 F CB -0.532 38.588 39.000 0.199 0.000 0.983 549 F HN 0.382 nan 8.300 nan 0.000 0.479 550 A N -0.194 122.786 122.820 0.266 0.000 1.978 550 A HA -0.225 4.095 4.320 0.000 0.000 0.220 550 A C 2.312 179.909 177.584 0.021 0.000 1.170 550 A CA 1.718 53.840 52.037 0.141 0.000 0.636 550 A CB -0.692 18.398 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.388 119.008 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 0.000 0.000 0.210 551 K C 1.844 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.048 58.238 56.287 -0.162 0.000 0.927 551 K CB -0.434 31.948 32.500 -0.196 0.000 0.713 551 K HN 0.665 nan 8.250 nan 0.000 0.443 552 Y N -0.517 119.493 120.300 -0.482 0.000 2.097 552 Y HA -0.278 4.272 4.550 0.000 0.000 0.282 552 Y C 2.296 177.185 175.900 -1.685 0.000 1.152 552 Y CA 1.542 58.978 58.100 -1.106 0.000 1.136 552 Y CB -0.577 37.244 38.460 -1.066 0.000 0.975 552 Y HN 0.183 nan 8.280 nan 0.000 0.498 553 W N 0.366 121.227 121.300 -0.731 0.000 2.338 553 W HA -0.254 4.406 4.660 0.000 0.000 0.304 553 W C 2.714 179.044 176.519 -0.314 0.000 1.212 553 W CA 2.042 59.091 57.345 -0.495 0.000 1.264 553 W CB -0.742 28.514 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.204 119.895 119.800 -0.181 0.000 2.079 554 Q HA -0.187 4.153 4.340 0.000 0.000 0.200 554 Q C 2.276 178.197 176.000 -0.130 0.000 0.974 554 Q CA 1.933 57.676 55.803 -0.100 0.000 0.840 554 Q CB -0.398 28.298 28.738 -0.070 0.000 0.898 554 Q HN 0.228 nan 8.270 nan 0.000 0.430 555 A N 0.360 123.003 122.820 -0.294 0.000 1.902 555 A HA -0.136 4.184 4.320 0.000 0.000 0.217 555 A C 1.865 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.128 53.036 52.037 -0.214 0.000 0.623 555 A CB -1.072 17.674 19.000 -0.422 0.000 0.818 555 A HN 0.536 nan 8.150 nan 0.000 0.443 556 F N -0.297 119.468 119.950 -0.308 0.000 2.120 556 F HA -0.242 4.285 4.527 0.000 0.000 0.300 556 F C 2.757 178.451 175.800 -0.175 0.000 1.095 556 F CA 1.228 59.016 58.000 -0.353 0.000 1.249 556 F CB -0.190 38.395 39.000 -0.691 0.000 0.995 556 F HN 0.158 nan 8.300 nan 0.000 0.480 557 R N 0.036 120.589 120.500 0.089 0.000 2.148 557 R HA -0.182 4.158 4.340 0.000 0.000 0.227 557 R C 2.067 178.399 176.300 0.054 0.000 1.103 557 R CA 1.282 57.420 56.100 0.064 0.000 0.983 557 R CB -0.382 29.951 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.417 119.444 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 0.000 0.000 0.206 558 Q C -0.583 175.440 176.000 0.040 0.000 0.921 558 Q CA 0.532 56.380 55.803 0.074 0.000 0.911 558 Q CB 0.535 29.332 28.738 0.100 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.335 120.611 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 0.000 0.000 0.336 559 Y C -1.806 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.916 55.161 58.100 -0.039 0.000 1.164 559 Y CB 1.505 39.944 38.460 -0.034 0.000 1.155 559 Y HN 0.072 nan 8.280 nan 0.000 0.478 560 P HA -0.222 nan 4.420 nan 0.000 0.215 560 P C 1.264 178.563 177.300 -0.001 0.000 1.163 560 P CA 1.886 64.989 63.100 0.004 0.000 0.894 560 P CB 0.335 32.022 31.700 -0.021 0.000 0.791 561 R N -1.097 119.420 120.500 0.028 0.000 2.316 561 R HA 0.065 4.405 4.340 0.000 0.000 0.202 561 R C 0.542 176.818 176.300 -0.039 0.000 1.029 561 R CA 0.240 56.338 56.100 -0.003 0.000 1.018 561 R CB -0.554 29.755 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.038 123.253 121.223 -0.014 0.000 2.282 562 L HA 0.131 4.471 4.340 0.000 0.000 0.287 562 L C 0.682 177.413 176.870 -0.232 0.000 1.075 562 L CA 0.107 54.893 54.840 -0.090 0.000 0.839 562 L CB 1.184 43.259 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.880 122.475 119.800 -0.342 0.000 2.201 563 Q HA 0.332 4.672 4.340 0.000 0.000 0.217 563 Q C 0.844 176.439 176.000 -0.675 0.000 0.860 563 Q CA 0.100 55.658 55.803 -0.409 0.000 0.984 563 Q CB 0.980 29.565 28.738 -0.254 0.000 1.095 563 Q HN 0.941 nan 8.270 nan 0.000 0.477 564 G N -0.289 107.753 108.800 -1.263 0.000 2.416 564 G HA2 0.142 4.102 3.960 0.000 0.000 0.203 564 G HA3 0.142 4.102 3.960 0.000 0.000 0.203 564 G C -0.337 173.805 174.900 -1.263 0.000 1.227 564 G CA -0.741 43.301 45.100 -1.764 0.000 1.041 564 G HN 0.583 nan 8.290 nan 0.000 0.546 565 G N -2.233 106.049 108.800 -0.863 0.000 2.342 565 G HA2 0.655 4.615 3.960 0.000 0.000 0.297 565 G HA3 0.655 4.615 3.960 0.000 0.000 0.297 565 G C -1.872 172.899 174.900 -0.214 0.000 1.313 565 G CA -0.324 44.478 45.100 -0.496 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.491 120.667 119.950 0.376 0.000 2.449 566 F HA 0.542 5.069 4.527 0.000 0.000 0.342 566 F C 0.676 176.751 175.800 0.459 0.000 1.127 566 F CA -0.774 57.471 58.000 0.408 0.000 0.975 566 F CB 2.236 41.373 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.173 123.381 119.914 0.490 0.000 2.811 567 V HA -0.051 4.069 4.120 0.000 0.000 0.302 567 V C -0.402 175.840 176.094 0.247 0.000 1.063 567 V CA -0.439 61.961 62.300 0.165 0.000 1.088 567 V CB 1.009 32.903 31.823 0.119 0.000 0.982 567 V HN 0.765 nan 8.190 nan 0.000 0.485 568 W N 6.473 127.831 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 -0.000 0.000 0.315 568 W C -0.927 175.586 176.519 -0.010 0.000 1.016 568 W CA -0.627 56.800 57.345 0.136 0.000 1.318 568 W CB 1.381 31.055 29.460 0.357 0.000 1.247 568 W HN 0.901 nan 8.180 nan 0.000 0.414 569 D N 3.056 123.120 120.400 -0.560 0.000 2.752 569 D HA 0.071 4.711 4.640 0.000 0.000 0.313 569 D C 0.664 176.727 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.749 0.000 0.976 569 D CB 0.307 40.034 40.800 -1.788 0.000 1.443 569 D HN 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.727 121.696 121.300 -0.551 0.000 2.322 570 W HA -0.007 4.653 4.660 0.000 0.000 0.326 570 W C -0.026 176.242 176.519 -0.419 0.000 1.224 570 W CA 1.512 58.589 57.345 -0.448 0.000 1.257 570 W CB 0.135 29.366 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.918 120.626 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 0.000 0.000 0.312 571 V C -0.499 175.384 176.094 -0.351 0.000 1.061 571 V CA -1.174 60.852 62.300 -0.457 0.000 0.931 571 V CB 1.385 33.059 31.823 -0.248 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.051 122.260 120.400 -0.319 0.000 2.443 572 D HA 0.103 4.743 4.640 0.000 0.000 0.239 572 D C 0.092 176.223 176.300 -0.280 0.000 1.136 572 D CA 0.366 54.227 54.000 -0.233 0.000 0.879 572 D CB 1.119 41.880 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.980 120.562 119.800 -0.365 0.000 3.207 573 Q HA 0.151 4.491 4.340 0.000 0.000 0.335 573 Q C -0.369 175.626 176.000 -0.010 0.000 1.374 573 Q CA -0.326 55.088 55.803 -0.649 0.000 1.023 573 Q CB 0.190 28.612 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.010 115.793 115.700 0.172 0.000 2.549 574 S HA 0.689 5.159 4.470 0.000 0.000 0.297 574 S C -0.246 174.549 174.600 0.325 0.000 1.115 574 S CA -0.834 57.574 58.200 0.347 0.000 1.059 574 S CB 1.645 65.009 63.200 0.273 0.000 1.046 574 S HN 0.312 nan 8.310 nan 0.000 0.506 575 L N 1.715 123.049 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 0.000 0.000 0.271 575 L C -0.425 176.364 176.870 -0.136 0.000 1.013 575 L CA -1.098 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.435 43.335 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.726 122.155 120.570 -0.236 0.000 2.472 576 I HA 0.254 4.424 4.170 0.000 0.000 0.290 576 I C 0.055 175.791 176.117 -0.635 0.000 1.016 576 I CA 0.157 61.193 61.300 -0.441 0.000 1.348 576 I CB 0.890 38.650 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.304 124.022 120.400 -1.137 0.000 2.466 577 K HA 0.585 4.905 4.320 0.000 0.000 0.260 577 K C -1.779 174.049 176.600 -1.288 0.000 1.011 577 K CA -0.871 54.698 56.287 -1.195 0.000 0.871 577 K CB 2.316 33.816 32.500 -1.666 0.000 1.404 577 K HN 0.245 nan 8.250 nan 0.000 0.450 578 Y N 0.338 120.431 120.300 -0.345 0.000 2.499 578 Y HA 0.198 4.748 4.550 0.000 0.000 0.347 578 Y C -0.026 176.016 175.900 0.237 0.000 0.987 578 Y CA -1.229 56.862 58.100 -0.015 0.000 1.044 578 Y CB 1.225 39.677 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.376 120.304 120.400 0.466 0.000 2.432 579 D HA 0.157 4.797 4.640 0.000 0.000 0.258 579 D C 0.470 176.889 176.300 0.199 0.000 1.146 579 D CA -0.566 53.617 54.000 0.305 0.000 1.015 579 D CB 0.755 41.671 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.023 120.248 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 0.000 0.000 0.196 580 E C 0.784 177.422 176.600 0.063 0.000 0.998 580 E CA 1.366 57.807 56.400 0.069 0.000 0.806 580 E CB -0.666 29.057 29.700 0.039 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.529 119.276 118.700 0.078 0.000 2.434 581 N HA 0.114 4.854 4.740 0.000 0.000 0.196 581 N C 0.637 176.201 175.510 0.090 0.000 1.183 581 N CA 0.828 53.918 53.050 0.068 0.000 0.849 581 N CB 0.306 38.828 38.487 0.058 0.000 0.992 581 N HN 0.316 nan 8.380 nan 0.000 0.460 582 G N 0.724 109.594 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 582 G C -0.468 174.613 174.900 0.302 0.000 1.047 582 G CA -0.261 44.917 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.025 119.922 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 0.000 0.000 0.285 583 N C -2.463 173.223 175.510 0.294 0.000 1.027 583 N CA -1.484 51.745 53.050 0.298 0.000 0.918 583 N CB 2.114 40.719 38.487 0.196 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.298 nan 4.420 nan 0.000 0.279 584 P C -0.558 176.659 177.300 -0.139 0.000 1.239 584 P CA -0.314 62.506 63.100 -0.467 0.000 0.789 584 P CB 0.629 32.115 31.700 -0.356 0.000 0.933 585 W N -0.162 120.866 121.300 -0.454 0.000 3.213 585 W HA 0.382 5.042 4.660 0.000 0.000 0.318 585 W C -1.492 174.841 176.519 -0.310 0.000 1.248 585 W CA -1.013 56.103 57.345 -0.381 0.000 1.187 585 W CB 0.263 29.362 29.460 -0.602 0.000 1.403 585 W HN 0.148 nan 8.180 nan 0.000 0.556 586 S N 1.890 117.659 115.700 0.114 0.000 2.481 586 S HA 0.557 5.027 4.470 0.000 0.000 0.276 586 S C 0.198 174.980 174.600 0.303 0.000 1.247 586 S CA -0.245 58.025 58.200 0.117 0.000 1.053 586 S CB 0.976 64.281 63.200 0.175 0.000 0.925 586 S HN 0.664 nan 8.310 nan 0.000 0.491 587 A N 2.833 125.692 122.820 0.065 0.000 2.337 587 A HA 0.878 5.198 4.320 0.000 0.000 0.331 587 A C -0.631 177.254 177.584 0.501 0.000 1.137 587 A CA -0.822 51.317 52.037 0.170 0.000 0.807 587 A CB 0.704 19.541 19.000 -0.271 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.760 119.896 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 0.000 0.000 0.310 588 Y C 0.620 176.900 175.900 0.633 0.000 1.480 588 Y CA -1.364 57.070 58.100 0.557 0.000 1.094 588 Y CB -0.019 38.591 38.460 0.250 0.000 1.377 588 Y HN 0.959 nan 8.280 nan 0.000 0.514 589 G N 0.015 109.213 108.800 0.665 0.000 2.224 589 G HA2 0.355 4.315 3.960 0.000 0.000 0.239 589 G HA3 0.355 4.315 3.960 0.000 0.000 0.239 589 G C 1.002 176.243 174.900 0.568 0.000 1.240 589 G CA 0.504 45.930 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.280 111.385 108.800 0.508 0.000 2.234 590 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 590 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 590 G C 0.881 175.996 174.900 0.357 0.000 0.987 590 G CA 0.716 46.048 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.359 120.289 120.400 0.413 0.000 2.392 591 D HA 0.145 4.785 4.640 0.000 0.000 0.228 591 D C 1.250 177.408 176.300 -0.236 0.000 1.003 591 D CA 0.557 54.629 54.000 0.120 0.000 0.917 591 D CB -0.200 40.634 40.800 0.056 0.000 0.890 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -1.065 118.999 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 0.000 0.000 0.308 592 F C 1.739 177.622 175.800 0.137 0.000 1.112 592 F CA -0.295 57.781 58.000 0.127 0.000 1.235 592 F CB 0.600 39.669 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.744 109.704 108.800 0.267 0.000 2.155 593 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 593 G HA3 -0.297 3.663 3.960 0.000 0.000 0.257 593 G C -0.140 174.903 174.900 0.238 0.000 0.983 593 G CA 0.305 45.529 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.448 121.044 120.400 0.327 0.000 2.425 594 D HA 0.429 5.069 4.640 0.000 0.000 0.247 594 D C 0.009 176.441 176.300 0.219 0.000 1.147 594 D CA 0.535 54.715 54.000 0.299 0.000 0.879 594 D CB 1.187 42.222 40.800 0.392 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.334 116.987 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 0.000 0.000 0.305 595 T C -2.360 172.384 174.700 0.073 0.000 1.064 595 T CA -0.949 61.215 62.100 0.107 0.000 1.008 595 T CB 1.975 70.900 68.868 0.095 0.000 1.078 595 T HN 0.382 nan 8.240 nan 0.000 0.459 596 P HA 0.531 nan 4.420 nan 0.000 0.281 596 P C -1.150 176.139 177.300 -0.018 0.000 1.281 596 P CA -0.725 62.376 63.100 0.001 0.000 0.811 596 P CB 0.789 32.462 31.700 -0.044 0.000 1.154 597 N N -1.165 117.524 118.700 -0.019 0.000 2.610 597 N HA 0.172 4.912 4.740 0.000 0.000 0.264 597 N C -1.063 174.409 175.510 -0.064 0.000 1.348 597 N CA -0.533 52.492 53.050 -0.042 0.000 0.819 597 N CB 1.533 40.094 38.487 0.124 0.000 1.521 597 N HN 0.202 nan 8.380 nan 0.000 0.497 598 D N 0.010 120.349 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 0.000 0.000 0.221 598 D C 0.373 176.852 176.300 0.298 0.000 1.173 598 D CA -0.197 53.807 54.000 0.006 0.000 0.831 598 D CB 0.943 41.613 40.800 -0.215 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.119 120.828 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 0.000 0.000 0.440 599 R C 1.388 177.720 176.300 0.053 0.000 0.241 599 R CA 1.824 58.128 56.100 0.339 0.000 1.395 599 R CB -1.334 29.096 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.268 119.802 119.800 -0.444 0.000 2.291 600 Q HA -0.027 4.313 4.340 0.000 0.000 0.206 600 Q C 1.717 177.536 176.000 -0.302 0.000 0.976 600 Q CA 1.656 57.072 55.803 -0.646 0.000 0.875 600 Q CB -0.258 28.044 28.738 -0.727 0.000 0.927 600 Q HN 0.423 nan 8.270 nan 0.000 0.450 601 F N 1.092 120.916 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 0.000 0.000 0.302 601 F C 1.692 177.398 175.800 -0.156 0.000 1.063 601 F CA 1.230 59.188 58.000 -0.069 0.000 1.319 601 F CB -0.233 38.814 39.000 0.078 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.348 117.577 119.300 -0.623 0.000 2.576 602 C HA 0.223 4.683 4.460 0.000 0.000 0.267 602 C C 0.973 175.702 174.990 -0.436 0.000 1.364 602 C CA -0.522 58.025 59.018 -0.786 0.000 1.723 602 C CB -1.935 24.887 27.740 -1.529 0.000 1.778 602 C HN 0.201 nan 8.230 nan 0.000 0.572 603 M N 2.965 122.351 119.600 -0.356 0.000 2.036 603 M HA 0.341 4.821 4.480 0.000 0.000 0.337 603 M C -0.474 175.657 176.300 -0.281 0.000 1.012 603 M CA 0.244 55.392 55.300 -0.253 0.000 0.962 603 M CB 0.512 33.022 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.576 120.093 118.700 -0.305 0.000 2.232 604 N HA 0.163 4.903 4.740 0.000 0.000 0.240 604 N C 0.210 175.473 175.510 -0.411 0.000 1.307 604 N CA -0.097 52.724 53.050 -0.380 0.000 0.859 604 N CB 1.349 39.651 38.487 -0.308 0.000 1.260 604 N HN 0.712 nan 8.380 nan 0.000 0.501 605 G N -0.010 108.532 108.800 -0.430 0.000 2.504 605 G HA2 0.449 4.409 3.960 0.000 0.000 0.288 605 G HA3 0.449 4.409 3.960 0.000 0.000 0.288 605 G C 0.890 175.330 174.900 -0.767 0.000 1.182 605 G CA -0.473 44.285 45.100 -0.569 0.000 0.894 605 G HN 0.108 nan 8.290 nan 0.000 0.521 606 L N -0.241 120.525 121.223 -0.762 0.000 2.418 606 L HA 0.155 4.495 4.340 0.000 0.000 0.218 606 L C 0.715 176.909 176.870 -1.127 0.000 1.125 606 L CA 0.275 54.657 54.840 -0.763 0.000 0.835 606 L CB -0.091 41.678 42.059 -0.483 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.283 113.870 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 0.000 0.000 0.312 607 V C -0.434 175.171 176.094 -0.815 0.000 1.115 607 V CA -1.243 60.433 62.300 -1.040 0.000 0.998 607 V CB 1.682 32.967 31.823 -0.896 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.469 121.267 119.950 -0.254 0.000 2.450 608 F HA 0.544 5.071 4.527 0.000 0.000 0.339 608 F C 1.957 177.664 175.800 -0.155 0.000 1.146 608 F CA 0.414 58.385 58.000 -0.047 0.000 1.267 608 F CB 1.391 40.395 39.000 0.007 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.270 124.170 122.820 0.133 0.000 1.997 609 A HA -0.295 4.025 4.320 0.000 0.000 0.221 609 A C 1.537 179.085 177.584 -0.059 0.000 1.172 609 A CA 2.186 54.239 52.037 0.028 0.000 0.645 609 A CB -1.112 17.943 19.000 0.091 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.093 117.293 120.400 -0.024 0.000 2.336 610 D HA 0.200 4.840 4.640 0.000 0.000 0.229 610 D C 0.528 176.803 176.300 -0.042 0.000 1.061 610 D CA 0.013 53.974 54.000 -0.065 0.000 0.875 610 D CB -0.070 40.698 40.800 -0.054 0.000 0.904 610 D HN 0.185 nan 8.370 nan 0.000 0.525 611 R N -0.795 119.673 120.500 -0.053 0.000 3.527 611 R HA -0.118 4.222 4.340 0.000 0.000 0.288 611 R C -0.621 175.656 176.300 -0.039 0.000 1.146 611 R CA 1.025 57.069 56.100 -0.093 0.000 0.778 611 R CB -3.267 27.014 30.300 -0.032 0.000 1.289 611 R HN 0.562 nan 8.270 nan 0.000 0.454 612 T N -2.345 112.247 114.554 0.064 0.000 2.797 612 T HA 0.729 5.079 4.350 0.000 0.000 0.279 612 T C -2.514 172.333 174.700 0.245 0.000 0.991 612 T CA -2.453 59.737 62.100 0.150 0.000 0.979 612 T CB 2.608 71.551 68.868 0.125 0.000 0.943 612 T HN -0.180 nan 8.240 nan 0.000 0.444 613 P HA 0.145 nan 4.420 nan 0.000 0.268 613 P C -0.143 177.200 177.300 0.073 0.000 1.205 613 P CA -0.081 62.998 63.100 -0.035 0.000 0.771 613 P CB 0.237 31.928 31.700 -0.016 0.000 0.858 614 H N 2.945 121.802 119.070 -0.356 0.000 2.495 614 H HA 0.159 4.715 4.556 0.000 0.000 0.350 614 H C -1.260 173.957 175.328 -0.184 0.000 1.202 614 H CA -2.085 53.745 56.048 -0.363 0.000 1.322 614 H CB 0.586 30.104 29.762 -0.406 0.000 1.544 614 H HN 0.300 nan 8.280 nan 0.000 0.565 615 P HA -0.120 nan 4.420 nan 0.000 0.219 615 P C 1.243 178.538 177.300 -0.007 0.000 1.150 615 P CA 1.273 64.361 63.100 -0.020 0.000 0.814 615 P CB -0.035 31.649 31.700 -0.026 0.000 0.787 616 A N 0.043 122.859 122.820 -0.006 0.000 1.986 616 A HA -0.216 4.104 4.320 0.000 0.000 0.220 616 A C 2.119 179.645 177.584 -0.096 0.000 1.171 616 A CA 1.538 53.536 52.037 -0.065 0.000 0.640 616 A CB -1.743 17.196 19.000 -0.101 0.000 0.811 616 A HN 0.168 nan 8.150 nan 0.000 0.451 617 L N -0.039 121.141 121.223 -0.071 0.000 2.137 617 L HA -0.189 4.151 4.340 0.000 0.000 0.213 617 L C 2.437 179.333 176.870 0.043 0.000 1.085 617 L CA 2.742 57.567 54.840 -0.024 0.000 0.760 617 L CB -0.807 41.233 42.059 -0.031 0.000 0.893 617 L HN 0.433 nan 8.230 nan 0.000 0.434 618 T N -1.520 113.066 114.554 0.054 0.000 2.812 618 T HA -0.162 4.188 4.350 0.000 0.000 0.264 618 T C 1.698 176.491 174.700 0.155 0.000 1.042 618 T CA 1.202 63.388 62.100 0.142 0.000 1.140 618 T CB -0.159 68.776 68.868 0.113 0.000 0.870 618 T HN 0.335 nan 8.240 nan 0.000 0.445 619 E N 1.709 121.948 120.200 0.065 0.000 2.085 619 E HA -0.100 4.250 4.350 0.000 0.000 0.194 619 E C 2.230 178.836 176.600 0.011 0.000 0.994 619 E CA 1.403 57.848 56.400 0.074 0.000 0.801 619 E CB -0.535 29.175 29.700 0.018 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.909 123.625 122.820 -0.174 0.000 1.877 620 A HA -0.250 4.070 4.320 0.000 0.000 0.216 620 A C 2.179 179.661 177.584 -0.169 0.000 1.186 620 A CA 2.046 53.932 52.037 -0.252 0.000 0.620 620 A CB -0.700 18.132 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.248 119.127 120.400 -0.042 0.000 2.074 621 K HA -0.303 4.017 4.320 0.000 0.000 0.209 621 K C 2.060 178.573 176.600 -0.146 0.000 1.048 621 K CA 2.124 58.400 56.287 -0.019 0.000 0.926 621 K CB -0.352 32.272 32.500 0.206 0.000 0.713 621 K HN 0.660 nan 8.250 nan 0.000 0.444 622 H N 0.307 119.215 119.070 -0.271 0.000 2.326 622 H HA -0.019 4.537 4.556 0.000 0.000 0.301 622 H C 1.918 176.973 175.328 -0.456 0.000 1.081 622 H CA 1.816 57.516 56.048 -0.580 0.000 1.334 622 H CB 0.012 29.440 29.762 -0.557 0.000 1.385 622 H HN 0.236 nan 8.280 nan 0.000 0.504 623 Q N 0.235 119.760 119.800 -0.459 0.000 2.291 623 Q HA -0.105 4.235 4.340 0.000 0.000 0.206 623 Q C 1.654 177.115 176.000 -0.898 0.000 0.976 623 Q CA 1.239 56.681 55.803 -0.601 0.000 0.875 623 Q CB 0.016 28.513 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.754 120.020 119.800 -0.890 0.000 2.360 624 Q HA 0.027 4.367 4.340 0.000 0.000 0.202 624 Q C 0.121 175.572 176.000 -0.915 0.000 0.915 624 Q CA -0.243 54.905 55.803 -1.092 0.000 0.943 624 Q CB 0.230 28.354 28.738 -1.025 0.000 1.064 624 Q HN 0.456 nan 8.270 nan 0.000 0.511 625 Q N -0.412 118.992 119.800 -0.660 0.000 2.428 625 Q HA -0.037 4.303 4.340 0.000 0.000 0.276 625 Q C -0.268 175.332 176.000 -0.667 0.000 1.059 625 Q CA 0.321 55.842 55.803 -0.470 0.000 0.923 625 Q CB 0.322 28.933 28.738 -0.212 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.071 119.624 119.950 -0.425 0.000 2.797 626 F HA 0.260 4.787 4.527 0.000 0.000 0.302 626 F C -0.106 175.122 175.800 -0.953 0.000 1.130 626 F CA 0.001 57.516 58.000 -0.809 0.000 1.387 626 F CB 0.387 38.570 39.000 -1.361 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.208 120.066 119.950 -0.153 0.000 2.495 627 F HA 0.488 5.015 4.527 0.000 0.000 0.327 627 F C -0.086 175.375 175.800 -0.565 0.000 1.103 627 F CA -1.037 56.778 58.000 -0.308 0.000 0.949 627 F CB 1.275 40.110 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.132 122.660 119.800 -0.453 0.000 2.365 628 Q HA 0.525 4.865 4.340 0.000 0.000 0.269 628 Q C -1.432 174.223 176.000 -0.575 0.000 1.061 628 Q CA -0.662 54.875 55.803 -0.443 0.000 0.816 628 Q CB 3.047 31.676 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.345 120.413 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 0.000 0.000 0.324 629 F C 0.495 176.520 175.800 0.374 0.000 1.077 629 F CA -0.852 57.338 58.000 0.316 0.000 0.944 629 F CB 1.989 41.287 39.000 0.497 0.000 1.175 629 F HN 0.101 nan 8.300 nan 0.000 0.468 630 R N 1.840 122.654 120.500 0.523 0.000 2.628 630 R HA 0.622 4.962 4.340 0.000 0.000 0.288 630 R C -1.986 174.397 176.300 0.139 0.000 0.980 630 R CA -1.161 55.145 56.100 0.345 0.000 0.891 630 R CB 2.652 33.059 30.300 0.179 0.000 1.188 630 R HN 0.610 nan 8.270 nan 0.000 0.450 631 L N 1.505 122.702 121.223 -0.044 0.000 2.313 631 L HA 0.476 4.816 4.340 0.000 0.000 0.283 631 L C -0.980 175.741 176.870 -0.249 0.000 1.013 631 L CA 0.152 54.731 54.840 -0.435 0.000 0.816 631 L CB 1.949 43.279 42.059 -1.216 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.903 119.480 115.700 -0.205 0.000 2.774 632 S HA 0.696 5.166 4.470 0.000 0.000 0.297 632 S C 0.374 174.889 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.344 58.200 -0.135 0.000 1.090 632 S CB 0.223 63.379 63.200 -0.073 0.000 1.019 632 S HN 1.475 nan 8.310 nan 0.000 0.482 633 G N 4.247 112.962 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 0.000 0.000 0.301 633 G C 0.381 175.181 174.900 -0.168 0.000 1.166 633 G CA 0.587 45.609 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.241 120.949 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 0.000 0.000 0.209 634 Q C -0.067 175.815 176.000 -0.197 0.000 0.848 634 Q CA 0.608 56.302 55.803 -0.182 0.000 0.974 634 Q CB 0.708 29.357 28.738 -0.149 0.000 1.115 634 Q HN 0.548 nan 8.270 nan 0.000 0.494 635 T N 0.747 115.195 114.554 -0.177 0.000 2.797 635 T HA 0.522 4.872 4.350 0.000 0.000 0.279 635 T C 0.022 174.623 174.700 -0.165 0.000 0.991 635 T CA -0.400 61.611 62.100 -0.147 0.000 0.979 635 T CB 1.573 70.386 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.401 122.896 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 0.000 0.000 0.294 636 I C 0.446 176.595 176.117 0.053 0.000 0.987 636 I CA -0.716 60.547 61.300 -0.062 0.000 1.225 636 I CB 1.541 39.532 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.381 126.643 120.200 0.103 0.000 2.134 637 E HA 0.476 4.826 4.350 0.000 0.000 0.278 637 E C -1.554 175.157 176.600 0.185 0.000 0.959 637 E CA -0.579 55.892 56.400 0.117 0.000 0.783 637 E CB 1.617 31.365 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.804 123.804 119.914 0.143 0.000 2.513 638 V HA 0.410 4.530 4.120 0.000 0.000 0.299 638 V C -0.116 176.002 176.094 0.041 0.000 1.035 638 V CA -0.621 61.733 62.300 0.090 0.000 0.889 638 V CB 1.928 33.831 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.680 117.214 114.554 -0.033 0.000 2.848 639 T HA 0.373 4.723 4.350 0.000 0.000 0.285 639 T C -0.312 174.380 174.700 -0.013 0.000 0.995 639 T CA -0.348 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.645 70.485 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.595 117.295 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 0.000 0.000 0.286 640 S C 0.619 175.109 174.600 -0.184 0.000 1.180 640 S CA -0.586 57.558 58.200 -0.093 0.000 1.075 640 S CB 0.580 63.800 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.214 123.205 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 0.000 0.000 0.194 641 E C -0.905 175.531 176.600 -0.273 0.000 1.027 641 E CA -0.075 56.152 56.400 -0.287 0.000 0.914 641 E CB 0.354 29.859 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.448 120.650 120.300 -0.163 0.000 2.319 642 Y HA 0.092 4.642 4.550 0.000 0.000 0.328 642 Y C 1.396 177.143 175.900 -0.254 0.000 1.133 642 Y CA -0.253 57.730 58.100 -0.196 0.000 1.265 642 Y CB 0.977 39.301 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.705 122.785 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 0.000 0.000 0.209 643 L C 0.669 177.087 176.870 -0.753 0.000 1.084 643 L CA 0.931 55.360 54.840 -0.684 0.000 0.816 643 L CB 0.005 41.209 42.059 -1.426 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.605 119.365 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 0.000 0.000 0.305 644 F C 1.265 177.045 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.196 58.000 -0.018 0.000 1.230 644 F CB 0.362 39.328 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.220 120.314 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 0.000 0.000 0.266 645 R C -1.113 175.172 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.345 56.100 -0.048 0.000 1.062 645 R CB 0.773 30.941 30.300 -0.220 0.000 1.142 645 R HN 0.045 nan 8.270 nan 0.000 0.517 646 H N -0.158 118.879 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 0.000 0.000 0.338 646 H C -0.167 175.169 175.328 0.014 0.000 1.152 646 H CA -0.320 55.733 56.048 0.009 0.000 1.264 646 H CB 1.413 31.189 29.762 0.024 0.000 1.510 646 H HN 0.747 nan 8.280 nan 0.000 0.530 647 S N 2.171 117.737 115.700 -0.223 0.000 4.053 647 S HA -0.052 4.418 4.470 0.000 0.000 0.184 647 S C 0.204 174.919 174.600 0.192 0.000 1.324 647 S CA -0.105 58.146 58.200 0.084 0.000 0.956 647 S CB -0.865 62.388 63.200 0.087 0.000 1.503 647 S HN 0.732 nan 8.310 nan 0.000 0.440 648 D N 0.557 121.075 120.400 0.197 0.000 2.328 648 D HA 0.011 4.651 4.640 0.000 0.000 0.226 648 D C 0.433 176.792 176.300 0.099 0.000 1.066 648 D CA -0.118 53.983 54.000 0.167 0.000 0.861 648 D CB -0.252 40.627 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.007 118.766 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 0.000 0.000 0.293 649 N C -1.580 173.986 175.510 0.094 0.000 1.788 649 N CA -0.247 52.851 53.050 0.079 0.000 0.860 649 N CB 0.275 38.796 38.487 0.057 0.000 1.388 649 N HN -0.069 nan 8.380 nan 0.000 0.496 650 E N 0.090 120.342 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 0.000 0.000 0.266 650 E C -1.575 175.054 176.600 0.048 0.000 0.880 650 E CA -0.597 55.837 56.400 0.057 0.000 0.762 650 E CB 1.955 31.657 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.428 124.680 121.223 0.049 0.000 2.341 651 L HA 0.541 4.881 4.340 0.000 0.000 0.278 651 L C -1.512 175.421 176.870 0.106 0.000 1.005 651 L CA -0.923 53.973 54.840 0.092 0.000 0.818 651 L CB 1.544 43.672 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.125 126.455 121.223 0.178 0.000 2.262 652 L HA 0.446 4.786 4.340 0.000 0.000 0.288 652 L C -0.667 176.420 176.870 0.360 0.000 1.035 652 L CA 0.076 55.051 54.840 0.224 0.000 0.820 652 L CB 0.382 42.568 42.059 0.212 0.000 1.204 652 L HN 0.569 nan 8.230 nan 0.000 0.424 653 H N 5.753 124.883 119.070 0.100 0.000 2.467 653 H HA 0.380 4.936 4.556 0.000 0.000 0.326 653 H C -1.097 174.305 175.328 0.124 0.000 1.094 653 H CA -0.704 55.364 56.048 0.033 0.000 1.253 653 H CB 0.966 30.712 29.762 -0.025 0.000 1.439 653 H HN 0.706 nan 8.280 nan 0.000 0.479 654 W N 3.435 124.803 121.300 0.113 0.000 2.929 654 W HA 0.588 5.248 4.660 0.000 0.000 0.345 654 W C -1.405 175.153 176.519 0.064 0.000 1.151 654 W CA -1.439 55.963 57.345 0.094 0.000 1.111 654 W CB 1.576 31.083 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.191 121.146 119.600 0.590 0.000 2.569 655 M HA 0.529 5.009 4.480 0.000 0.000 0.287 655 M C -2.643 173.903 176.300 0.410 0.000 1.130 655 M CA -0.520 54.989 55.300 0.348 0.000 0.885 655 M CB 1.768 34.374 32.600 0.009 0.000 1.759 655 M HN 0.134 nan 8.290 nan 0.000 0.515 656 V N 2.487 122.619 119.914 0.362 0.000 2.495 656 V HA 1.039 5.159 4.120 0.000 0.000 0.298 656 V C -0.189 176.021 176.094 0.193 0.000 1.031 656 V CA 0.021 62.496 62.300 0.291 0.000 0.871 656 V CB 1.174 33.172 31.823 0.293 0.000 0.988 656 V HN 1.136 nan 8.190 nan 0.000 0.432 657 A N 4.169 127.114 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 0.000 0.000 0.296 657 A C -1.650 176.067 177.584 0.221 0.000 1.073 657 A CA -0.613 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.878 19.000 0.077 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.250 122.569 121.223 0.159 0.000 2.294 658 L HA 0.581 4.921 4.340 0.000 0.000 0.283 658 L C -0.459 176.517 176.870 0.177 0.000 1.015 658 L CA 0.284 55.233 54.840 0.181 0.000 0.831 658 L CB 0.507 42.635 42.059 0.115 0.000 1.217 658 L HN 0.770 nan 8.230 nan 0.000 0.420 659 D N 4.660 125.236 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 0.000 0.000 0.232 659 D C 1.171 177.503 176.300 0.053 0.000 1.161 659 D CA 1.657 55.809 54.000 0.252 0.000 0.653 659 D CB -0.991 39.923 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.380 107.413 108.800 -0.011 0.000 2.254 660 G HA2 -0.344 3.616 3.960 0.000 0.000 0.225 660 G HA3 -0.344 3.616 3.960 0.000 0.000 0.225 660 G C 0.201 175.030 174.900 -0.117 0.000 1.003 660 G CA 0.239 45.230 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.434 122.814 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 0.000 0.000 0.286 661 K C -2.555 174.045 176.600 0.001 0.000 1.072 661 K CA -1.890 54.382 56.287 -0.026 0.000 0.913 661 K CB 1.564 34.061 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.218 177.088 177.300 0.010 0.000 1.243 662 P CA -0.073 63.021 63.100 -0.010 0.000 0.768 662 P CB 0.759 32.428 31.700 -0.051 0.000 0.856 663 L N 1.447 122.696 121.223 0.045 0.000 2.642 663 L HA 0.524 4.864 4.340 0.000 0.000 0.233 663 L C 0.863 177.770 176.870 0.062 0.000 1.077 663 L CA 0.210 55.082 54.840 0.053 0.000 0.879 663 L CB 0.210 42.317 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.162 123.030 122.820 0.081 0.000 2.594 664 A HA 0.619 4.939 4.320 0.000 0.000 0.296 664 A C -0.803 176.734 177.584 -0.078 0.000 1.056 664 A CA -0.120 51.966 52.037 0.081 0.000 0.693 664 A CB 1.553 20.725 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.262 115.683 115.700 -0.465 0.000 2.588 665 S HA 0.968 5.438 4.470 0.000 0.000 0.275 665 S C -0.160 173.466 174.600 -1.623 0.000 1.130 665 S CA -0.013 57.548 58.200 -1.064 0.000 0.855 665 S CB 1.612 64.481 63.200 -0.552 0.000 1.116 665 S HN 2.461 nan 8.310 nan 0.000 0.472 666 G N -0.156 107.251 108.800 -2.322 0.000 2.687 666 G HA2 0.671 4.631 3.960 0.000 0.000 0.291 666 G HA3 0.671 4.631 3.960 0.000 0.000 0.291 666 G C -2.020 172.346 174.900 -0.890 0.000 1.420 666 G CA -0.705 43.524 45.100 -1.451 0.000 0.796 666 G HN 0.813 nan 8.290 nan 0.000 0.485 667 E N -1.163 118.888 120.200 -0.248 0.000 2.304 667 E HA 0.571 4.921 4.350 0.000 0.000 0.277 667 E C -1.631 175.040 176.600 0.119 0.000 0.898 667 E CA -0.506 55.836 56.400 -0.096 0.000 0.764 667 E CB 2.903 32.482 29.700 -0.201 0.000 1.216 667 E HN 0.355 nan 8.360 nan 0.000 0.419 668 V N 4.769 124.799 119.914 0.194 0.000 2.777 668 V HA 0.463 4.583 4.120 0.000 0.000 0.306 668 V C -2.486 173.700 176.094 0.153 0.000 1.112 668 V CA -1.682 60.723 62.300 0.174 0.000 0.917 668 V CB 2.170 34.112 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.337 nan 4.420 nan 0.000 0.280 669 P C -0.838 176.520 177.300 0.097 0.000 1.244 669 P CA -0.187 62.975 63.100 0.103 0.000 0.784 669 P CB 1.047 32.801 31.700 0.091 0.000 0.913 670 L N 2.832 124.101 121.223 0.077 0.000 2.350 670 L HA 0.352 4.692 4.340 0.000 0.000 0.275 670 L C 0.475 177.405 176.870 0.099 0.000 1.099 670 L CA 0.199 55.074 54.840 0.059 0.000 0.808 670 L CB 0.626 42.667 42.059 -0.029 0.000 1.149 670 L HN 0.361 nan 8.230 nan 0.000 0.442 671 D N 2.309 122.774 120.400 0.108 0.000 2.586 671 D HA 0.383 5.023 4.640 0.000 0.000 0.254 671 D C -1.336 175.007 176.300 0.072 0.000 1.248 671 D CA -0.119 54.004 54.000 0.205 0.000 0.843 671 D CB 0.943 41.880 40.800 0.228 0.000 1.332 671 D HN 0.100 nan 8.370 nan 0.000 0.523 672 V N 0.521 120.303 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 0.000 0.000 0.307 672 V C 0.589 176.379 176.094 -0.507 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.456 33.296 31.823 0.027 0.000 0.999 672 V HN 0.455 nan 8.190 nan 0.000 0.426 673 A N 4.971 127.696 122.820 -0.160 0.000 2.322 673 A HA 0.812 5.132 4.320 0.000 0.000 0.269 673 A C -2.402 175.177 177.584 -0.008 0.000 1.094 673 A CA -1.723 50.296 52.037 -0.030 0.000 0.807 673 A CB -0.040 19.033 19.000 0.121 0.000 1.047 673 A HN 0.725 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.428 176.865 177.300 -0.012 0.000 1.173 674 P CA 0.732 63.843 63.100 0.020 0.000 0.760 674 P CB 0.211 31.909 31.700 -0.004 0.000 0.783 675 Q N -1.225 118.554 119.800 -0.035 0.000 2.406 675 Q HA -0.185 4.155 4.340 0.000 0.000 0.236 675 Q C 0.695 176.684 176.000 -0.018 0.000 0.799 675 Q CA 1.491 57.266 55.803 -0.047 0.000 1.286 675 Q CB -2.473 26.229 28.738 -0.060 0.000 1.615 675 Q HN 0.757 nan 8.270 nan 0.000 0.621 676 G N 0.231 109.033 108.800 0.003 0.000 2.552 676 G HA2 0.594 4.554 3.960 0.000 0.000 0.318 676 G HA3 0.594 4.554 3.960 0.000 0.000 0.318 676 G C -0.514 174.403 174.900 0.028 0.000 1.240 676 G CA -0.688 44.423 45.100 0.019 0.000 1.002 676 G HN -0.027 nan 8.290 nan 0.000 0.493 677 K N -0.407 120.014 120.400 0.035 0.000 2.267 677 K HA 0.467 4.787 4.320 0.000 0.000 0.246 677 K C -0.868 175.766 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.372 34.893 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.174 123.015 119.800 0.068 0.000 2.305 678 Q HA 0.354 4.694 4.340 0.000 0.000 0.271 678 Q C -1.596 174.448 176.000 0.073 0.000 1.046 678 Q CA -0.639 55.208 55.803 0.072 0.000 0.798 678 Q CB 1.353 30.140 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.057 126.314 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 0.000 0.000 0.285 679 L C -0.337 176.555 176.870 0.036 0.000 1.049 679 L CA -0.761 54.104 54.840 0.041 0.000 0.804 679 L CB 1.184 43.257 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.812 123.395 120.570 0.022 0.000 2.439 680 I HA 0.248 4.418 4.170 0.000 0.000 0.285 680 I C -0.252 175.831 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.105 40.121 38.000 0.027 0.000 1.242 680 I HN 0.492 nan 8.210 nan 0.000 0.439 681 E N 6.510 126.679 120.200 -0.051 0.000 2.223 681 E HA 0.411 4.761 4.350 0.000 0.000 0.282 681 E C -0.663 175.860 176.600 -0.128 0.000 1.046 681 E CA -0.314 56.039 56.400 -0.078 0.000 0.857 681 E CB 1.424 31.098 29.700 -0.043 0.000 1.055 681 E HN 0.474 nan 8.360 nan 0.000 0.409 682 L N 6.009 127.121 121.223 -0.184 0.000 2.325 682 L HA 0.362 4.702 4.340 0.000 0.000 0.279 682 L C -1.916 174.846 176.870 -0.180 0.000 1.054 682 L CA -1.946 52.732 54.840 -0.271 0.000 0.804 682 L CB 1.331 43.147 42.059 -0.405 0.000 1.200 682 L HN 0.239 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.476 176.774 177.300 -0.083 0.000 1.223 683 P CA -0.433 62.625 63.100 -0.071 0.000 0.784 683 P CB 0.509 32.214 31.700 0.008 0.000 0.923 684 E N 1.428 121.602 120.200 -0.043 0.000 2.652 684 E HA -0.043 4.307 4.350 0.000 0.000 0.255 684 E C -0.158 176.425 176.600 -0.027 0.000 0.952 684 E CA 0.618 56.995 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.800 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.298 127.494 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 0.000 0.000 0.273 685 L C -1.909 174.962 176.870 0.002 0.000 1.080 685 L CA -2.136 52.690 54.840 -0.023 0.000 0.803 685 L CB 0.682 42.709 42.059 -0.055 0.000 1.174 685 L HN 0.324 nan 8.230 nan 0.000 0.443 686 P HA 0.044 nan 4.420 nan 0.000 0.268 686 P C -0.887 176.426 177.300 0.022 0.000 1.204 686 P CA -0.218 62.902 63.100 0.034 0.000 0.768 686 P CB 0.610 32.344 31.700 0.056 0.000 0.842 687 Q N 2.483 122.293 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 0.000 0.000 0.400 687 Q C -2.034 173.975 176.000 0.015 0.000 0.959 687 Q CA -1.708 54.102 55.803 0.010 0.000 1.079 687 Q CB -0.439 28.300 28.738 0.001 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.158 nan 4.420 nan 0.000 0.268 688 P C 0.102 177.415 177.300 0.022 0.000 1.171 688 P CA 0.413 63.529 63.100 0.027 0.000 0.761 688 P CB 1.163 32.885 31.700 0.037 0.000 0.786 689 E N 0.541 120.754 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 0.000 0.000 0.191 689 E C 0.612 177.226 176.600 0.023 0.000 0.964 689 E CA 0.480 56.892 56.400 0.019 0.000 0.832 689 E CB -0.444 29.267 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.286 117.003 115.700 0.028 0.000 2.537 690 S HA 0.156 4.626 4.470 0.000 0.000 0.280 690 S C 0.404 175.027 174.600 0.039 0.000 1.335 690 S CA 0.162 58.382 58.200 0.034 0.000 1.025 690 S CB 0.518 63.740 63.200 0.037 0.000 0.836 690 S HN 0.292 nan 8.310 nan 0.000 0.523 691 A N 1.002 123.848 122.820 0.044 0.000 2.302 691 A HA 0.819 5.139 4.320 0.000 0.000 0.285 691 A C 0.810 178.433 177.584 0.065 0.000 1.105 691 A CA 0.176 52.242 52.037 0.048 0.000 0.816 691 A CB 0.225 19.254 19.000 0.049 0.000 1.067 691 A HN 1.773 nan 8.150 nan 0.000 0.489 692 G N -0.038 108.802 108.800 0.068 0.000 2.357 692 G HA2 0.323 4.283 3.960 0.000 0.000 0.289 692 G HA3 0.323 4.283 3.960 0.000 0.000 0.289 692 G C -1.380 173.569 174.900 0.083 0.000 1.302 692 G CA -0.881 44.278 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.574 119.312 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 0.000 0.000 0.261 693 Q C -0.919 175.180 176.000 0.165 0.000 0.960 693 Q CA -0.761 55.092 55.803 0.083 0.000 0.882 693 Q CB 2.401 31.240 28.738 0.168 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.628 124.824 121.223 -0.046 0.000 2.272 694 L HA 0.484 4.824 4.340 0.000 0.000 0.289 694 L C -1.790 175.029 176.870 -0.084 0.000 1.032 694 L CA 0.014 54.876 54.840 0.036 0.000 0.810 694 L CB 0.451 42.507 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.423 126.794 121.300 0.117 0.000 2.819 695 W HA 0.568 5.228 4.660 0.000 0.000 0.337 695 W C -1.053 175.576 176.519 0.185 0.000 1.077 695 W CA -0.704 56.735 57.345 0.155 0.000 1.226 695 W CB 1.702 31.282 29.460 0.199 0.000 1.419 695 W HN 0.279 nan 8.180 nan 0.000 0.502 696 L N 3.042 124.565 121.223 0.501 0.000 2.295 696 L HA 0.818 5.158 4.340 0.000 0.000 0.285 696 L C -0.366 176.819 176.870 0.525 0.000 1.035 696 L CA 0.143 55.253 54.840 0.449 0.000 0.806 696 L CB 1.316 43.578 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.791 119.596 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 0.000 0.000 0.292 697 T C -0.878 174.008 174.700 0.311 0.000 1.012 697 T CA -0.479 61.818 62.100 0.328 0.000 0.982 697 T CB 1.641 70.635 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.260 121.310 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 0.000 0.000 0.309 698 V C -0.772 175.387 176.094 0.108 0.000 1.052 698 V CA -1.118 61.278 62.300 0.159 0.000 0.908 698 V CB 1.903 33.744 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.200 122.787 120.500 0.144 0.000 2.771 699 R HA 0.835 5.175 4.340 0.000 0.000 0.274 699 R C -1.716 174.662 176.300 0.131 0.000 0.987 699 R CA -0.835 55.360 56.100 0.158 0.000 0.908 699 R CB 2.759 33.103 30.300 0.074 0.000 1.213 699 R HN 0.657 nan 8.270 nan 0.000 0.468 700 V N 2.868 122.884 119.914 0.169 0.000 2.384 700 V HA 0.433 4.553 4.120 0.000 0.000 0.287 700 V C -0.457 175.670 176.094 0.056 0.000 1.020 700 V CA -0.659 61.710 62.300 0.115 0.000 0.850 700 V CB 1.738 33.646 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.468 124.365 119.914 -0.029 0.000 2.680 701 V HA 0.479 4.599 4.120 0.000 0.000 0.309 701 V C -0.400 175.707 176.094 0.022 0.000 1.052 701 V CA -0.848 61.421 62.300 -0.053 0.000 0.908 701 V CB 1.987 33.677 31.823 -0.222 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.134 123.974 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 0.000 0.000 0.237 702 Q C -1.837 174.184 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.040 55.803 0.079 0.000 0.874 702 Q CB 1.899 30.712 28.738 0.125 0.000 1.207 702 Q HN 0.493 nan 8.270 nan 0.000 0.508 703 P HA -0.211 nan 4.420 nan 0.000 0.214 703 P C -0.514 176.789 177.300 0.005 0.000 1.163 703 P CA 1.394 64.507 63.100 0.022 0.000 0.889 703 P CB 0.285 32.006 31.700 0.034 0.000 0.790 704 N N -0.853 117.844 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 0.000 0.000 0.289 704 N C -0.273 175.194 175.510 -0.072 0.000 1.133 704 N CA -0.645 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.677 39.151 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.412 123.179 122.820 -0.088 0.000 2.346 705 A HA 0.548 4.868 4.320 0.000 0.000 0.252 705 A C 0.554 178.010 177.584 -0.213 0.000 1.089 705 A CA -0.143 51.800 52.037 -0.157 0.000 0.797 705 A CB 0.008 18.934 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.522 110.807 114.554 -0.375 0.000 2.773 706 T HA 0.619 4.969 4.350 0.000 0.000 0.278 706 T C 0.898 175.384 174.700 -0.356 0.000 1.011 706 T CA 0.056 61.900 62.100 -0.427 0.000 1.014 706 T CB 1.117 69.447 68.868 -0.897 0.000 1.293 706 T HN 1.365 nan 8.240 nan 0.000 0.554 707 A N -0.165 122.538 122.820 -0.195 0.000 2.121 707 A HA 0.137 4.457 4.320 0.000 0.000 0.218 707 A C 1.485 179.167 177.584 0.163 0.000 1.154 707 A CA 0.890 52.964 52.037 0.062 0.000 0.679 707 A CB -0.827 18.316 19.000 0.239 0.000 0.795 707 A HN 0.906 nan 8.150 nan 0.000 0.458 708 W N -0.973 120.373 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 0.000 0.000 0.352 708 W C -0.186 176.293 176.519 -0.068 0.000 0.952 708 W CA 0.405 57.757 57.345 0.012 0.000 1.624 708 W CB -1.170 28.284 29.460 -0.011 0.000 1.135 708 W HN 0.404 nan 8.180 nan 0.000 0.540 709 S N 0.232 115.436 115.700 -0.827 0.000 2.556 709 S HA 0.449 4.919 4.470 0.000 0.000 0.271 709 S C -0.559 173.774 174.600 -0.444 0.000 1.135 709 S CA -0.616 57.134 58.200 -0.751 0.000 0.858 709 S CB 2.814 65.174 63.200 -1.400 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.873 120.930 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 0.000 0.000 0.257 710 E C 0.398 176.951 176.600 -0.079 0.000 1.150 710 E CA -0.560 55.773 56.400 -0.111 0.000 0.926 710 E CB 1.134 30.820 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.122 122.670 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 0.000 0.000 0.248 711 A C 1.006 178.598 177.584 0.012 0.000 1.082 711 A CA 0.555 52.578 52.037 -0.024 0.000 0.785 711 A CB -0.153 18.836 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.328 109.141 108.800 0.021 0.000 2.160 712 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 712 G C 0.066 174.996 174.900 0.050 0.000 1.022 712 G CA 0.714 45.823 45.100 0.016 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.088 119.147 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 0.000 0.000 0.349 713 H C 0.442 175.814 175.328 0.073 0.000 1.099 713 H CA -0.684 55.379 56.048 0.026 0.000 1.417 713 H CB 0.371 30.139 29.762 0.009 0.000 1.457 713 H HN 0.047 nan 8.280 nan 0.000 0.568 714 I N 4.586 124.851 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 0.000 0.000 0.291 714 I C 1.072 177.037 176.117 -0.254 0.000 1.019 714 I CA -0.028 61.118 61.300 -0.256 0.000 1.302 714 I CB 0.779 38.703 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.797 119.565 115.700 0.114 0.000 2.526 715 S HA 0.664 5.134 4.470 0.000 0.000 0.220 715 S C 0.489 175.343 174.600 0.424 0.000 1.017 715 S CA 0.117 58.514 58.200 0.329 0.000 0.930 715 S CB 0.635 64.140 63.200 0.507 0.000 0.856 715 S HN 0.753 nan 8.310 nan 0.000 0.497 716 A N 0.610 123.717 122.820 0.477 0.000 2.605 716 A HA 0.675 4.995 4.320 0.000 0.000 0.294 716 A C -1.731 176.216 177.584 0.605 0.000 1.062 716 A CA -0.903 51.405 52.037 0.452 0.000 0.682 716 A CB 0.441 19.757 19.000 0.526 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N -0.008 121.463 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 0.000 0.000 0.343 717 W C -1.184 175.375 176.519 0.067 0.000 1.243 717 W CA -0.643 56.757 57.345 0.091 0.000 1.186 717 W CB 1.202 30.659 29.460 -0.005 0.000 1.453 717 W HN 1.105 nan 8.180 nan 0.000 0.575 718 Q N 1.710 121.567 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 0.000 0.000 0.265 718 Q C -1.562 174.233 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.102 55.803 -0.210 0.000 0.923 718 Q CB 1.975 30.425 28.738 -0.479 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.608 122.181 119.800 -0.378 0.000 2.458 719 Q HA 0.758 5.098 4.340 0.000 0.000 0.282 719 Q C -1.223 174.673 176.000 -0.174 0.000 1.106 719 Q CA -0.664 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.027 30.877 28.738 0.186 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.200 122.703 121.300 0.339 0.000 3.127 720 W HA 0.437 5.097 4.660 0.000 0.000 0.330 720 W C -0.609 175.926 176.519 0.027 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.215 31.723 29.460 0.081 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.599 122.999 120.500 -0.167 0.000 2.202 721 R HA 0.291 4.631 4.340 0.000 0.000 0.334 721 R C 0.763 176.839 176.300 -0.374 0.000 1.036 721 R CA -0.141 55.451 56.100 -0.846 0.000 0.878 721 R CB 0.612 30.043 30.300 -1.448 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.770 123.824 121.223 -0.282 0.000 2.049 722 L HA 0.178 4.518 4.340 0.000 0.000 0.203 722 L C 0.896 177.666 176.870 -0.168 0.000 1.074 722 L CA 1.020 55.766 54.840 -0.156 0.000 0.749 722 L CB -0.163 41.847 42.059 -0.082 0.000 0.907 722 L HN 0.665 nan 8.230 nan 0.000 0.439 723 A N -0.808 121.896 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 0.000 0.000 0.290 723 A C -1.420 176.075 177.584 -0.149 0.000 1.136 723 A CA -0.437 51.514 52.037 -0.142 0.000 0.681 723 A CB 1.855 20.807 19.000 -0.081 0.000 1.282 723 A HN 0.057 nan 8.150 nan 0.000 0.421 724 E N 0.409 120.552 120.200 -0.095 0.000 2.275 724 E HA 0.425 4.775 4.350 0.000 0.000 0.270 724 E C -1.675 174.909 176.600 -0.026 0.000 0.882 724 E CA -0.640 55.721 56.400 -0.064 0.000 0.758 724 E CB 1.272 30.932 29.700 -0.068 0.000 1.195 724 E HN 0.544 nan 8.360 nan 0.000 0.419 725 N N 4.598 123.296 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 0.000 0.000 0.248 725 N C -0.657 174.866 175.510 0.021 0.000 0.986 725 N CA -0.316 52.739 53.050 0.010 0.000 0.921 725 N CB 1.042 39.540 38.487 0.018 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.675 121.909 121.223 0.018 0.000 2.456 726 L HA 0.130 4.470 4.340 0.000 0.000 0.272 726 L C 1.200 178.089 176.870 0.033 0.000 1.189 726 L CA 0.113 54.970 54.840 0.028 0.000 0.846 726 L CB 0.542 42.616 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.399 117.124 115.700 0.042 0.000 2.465 727 S HA 0.278 4.748 4.470 0.000 0.000 0.279 727 S C 0.557 175.180 174.600 0.038 0.000 1.201 727 S CA -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.810 64.041 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.573 122.506 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 0.000 0.000 0.313 728 V C 0.869 176.980 176.094 0.028 0.000 1.393 728 V CA -0.015 62.301 62.300 0.028 0.000 1.125 728 V CB -1.061 30.776 31.823 0.023 0.000 1.037 728 V HN 0.838 nan 8.190 nan 0.000 0.440 729 T N 0.112 114.684 114.554 0.031 0.000 2.902 729 T HA 0.755 5.105 4.350 0.000 0.000 0.280 729 T C -0.515 174.203 174.700 0.029 0.000 0.992 729 T CA -0.496 61.621 62.100 0.029 0.000 1.015 729 T CB 1.906 70.790 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.807 123.045 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 0.000 0.000 0.273 730 L C -1.970 174.911 176.870 0.019 0.000 1.013 730 L CA -2.125 52.728 54.840 0.022 0.000 0.816 730 L CB 0.531 42.600 42.059 0.017 0.000 1.278 730 L HN 0.593 nan 8.230 nan 0.000 0.431 731 P HA 0.336 nan 4.420 nan 0.000 0.271 731 P C -0.718 176.581 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.965 32.671 31.700 0.011 0.000 0.864 732 A N 2.646 125.462 122.820 -0.006 0.000 2.332 732 A HA 0.555 4.875 4.320 0.000 0.000 0.258 732 A C 0.572 178.123 177.584 -0.055 0.000 1.087 732 A CA -0.195 51.831 52.037 -0.019 0.000 0.802 732 A CB -0.155 18.839 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.176 123.955 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.807 4.320 0.000 0.000 0.235 733 A C 0.788 178.204 177.584 -0.280 0.000 1.065 733 A CA 0.476 52.441 52.037 -0.119 0.000 0.764 733 A CB -0.424 18.531 19.000 -0.076 0.000 1.002 733 A HN 1.512 nan 8.150 nan 0.000 0.502 734 S N 0.716 116.257 115.700 -0.265 0.000 2.608 734 S HA 0.494 4.964 4.470 0.000 0.000 0.291 734 S C 0.232 174.593 174.600 -0.397 0.000 1.146 734 S CA -0.727 57.267 58.200 -0.343 0.000 1.043 734 S CB 0.832 63.950 63.200 -0.136 0.000 1.037 734 S HN 0.668 nan 8.310 nan 0.000 0.520 735 H N 0.202 119.283 119.070 0.017 0.000 2.539 735 H HA 0.557 5.113 4.556 0.000 0.000 0.269 735 H C 0.586 175.922 175.328 0.013 0.000 0.980 735 H CA 0.554 56.610 56.048 0.013 0.000 1.152 735 H CB -0.091 29.677 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.951 123.804 122.820 0.054 0.000 2.599 736 A HA 0.619 4.939 4.320 0.000 0.000 0.290 736 A C -1.063 176.538 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.471 20.512 19.000 0.068 0.000 1.277 736 A HN 0.215 nan 8.150 nan 0.000 0.419 737 I N -1.553 119.039 120.570 0.036 0.000 2.865 737 I HA 0.789 4.959 4.170 0.000 0.000 0.302 737 I C -2.875 173.279 176.117 0.062 0.000 1.140 737 I CA -2.581 58.738 61.300 0.032 0.000 1.021 737 I CB 2.403 40.410 38.000 0.013 0.000 1.233 737 I HN 0.392 nan 8.210 nan 0.000 0.427 738 P HA 0.014 nan 4.420 nan 0.000 0.269 738 P C -1.327 176.062 177.300 0.147 0.000 1.211 738 P CA 0.382 63.540 63.100 0.096 0.000 0.781 738 P CB 0.191 31.905 31.700 0.024 0.000 0.877 739 H N 1.895 120.994 119.070 0.049 0.000 2.587 739 H HA 0.370 4.926 4.556 0.000 0.000 0.325 739 H C -1.015 174.340 175.328 0.045 0.000 1.012 739 H CA -1.110 54.960 56.048 0.036 0.000 1.213 739 H CB 0.955 30.739 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.069 126.168 121.223 -0.206 0.000 2.326 740 L HA 0.316 4.656 4.340 0.000 0.000 0.278 740 L C -0.737 175.925 176.870 -0.346 0.000 1.092 740 L CA 0.276 54.971 54.840 -0.242 0.000 0.810 740 L CB 1.390 43.373 42.059 -0.127 0.000 1.153 740 L HN 0.644 nan 8.230 nan 0.000 0.439 741 T N 3.022 117.464 114.554 -0.187 0.000 2.921 741 T HA 0.428 4.778 4.350 0.000 0.000 0.297 741 T C -0.635 174.113 174.700 0.081 0.000 1.013 741 T CA -0.459 61.586 62.100 -0.091 0.000 0.990 741 T CB 1.390 70.187 68.868 -0.118 0.000 1.023 741 T HN 0.610 nan 8.240 nan 0.000 0.447 742 T N 2.591 117.212 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 0.000 0.000 0.307 742 T C 0.605 175.367 174.700 0.104 0.000 1.034 742 T CA -0.478 61.746 62.100 0.208 0.000 0.953 742 T CB 1.031 70.050 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.161 117.896 115.700 0.059 0.000 2.598 743 S HA 0.251 4.721 4.470 0.000 0.000 0.267 743 S C 1.292 175.870 174.600 -0.036 0.000 1.189 743 S CA -0.332 57.872 58.200 0.006 0.000 1.010 743 S CB 0.994 64.191 63.200 -0.004 0.000 1.084 743 S HN 0.779 nan 8.310 nan 0.000 0.541 744 E N -0.989 119.182 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 0.000 0.000 0.196 744 E C 1.398 177.930 176.600 -0.114 0.000 0.990 744 E CA 0.123 56.483 56.400 -0.067 0.000 0.886 744 E CB -0.015 29.663 29.700 -0.037 0.000 0.866 744 E HN 0.578 nan 8.360 nan 0.000 0.493 745 M N 1.253 120.792 119.600 -0.101 0.000 2.501 745 M HA 0.161 4.641 4.480 0.000 0.000 0.261 745 M C -0.318 175.892 176.300 -0.150 0.000 1.129 745 M CA 0.789 56.030 55.300 -0.098 0.000 1.126 745 M CB -0.255 32.320 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.093 118.185 120.400 -0.204 0.000 2.879 746 D HA 0.389 5.029 4.640 0.000 0.000 0.346 746 D C -0.976 175.177 176.300 -0.246 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.262 0.000 0.838 746 D CB 0.635 41.418 40.800 -0.029 0.000 1.416 746 D HN -0.040 nan 8.370 nan 0.000 0.493 750 E N 4.342 124.686 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 0.000 0.000 0.266 750 E C -1.680 175.092 176.600 0.288 0.000 0.901 750 E CA -0.834 55.713 56.400 0.245 0.000 0.782 750 E CB 2.924 32.702 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.800 125.181 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 0.000 0.000 0.246 751 L C -0.148 176.803 176.870 0.136 0.000 0.960 751 L CA 0.720 55.696 54.840 0.226 0.000 1.056 751 L CB 0.800 43.045 42.059 0.310 0.000 1.437 751 L HN 0.757 nan 8.230 nan 0.000 0.514 752 G N 3.804 112.654 108.800 0.082 0.000 2.527 752 G HA2 -0.385 3.575 3.960 0.000 0.000 0.268 752 G HA3 -0.385 3.575 3.960 0.000 0.000 0.268 752 G C 0.565 175.465 174.900 0.000 0.000 1.175 752 G CA 0.474 45.596 45.100 0.038 0.000 0.962 752 G HN 1.058 nan 8.290 nan 0.000 0.560 753 N N 1.010 119.695 118.700 -0.025 0.000 2.396 753 N HA 0.006 4.746 4.740 0.000 0.000 0.180 753 N C 0.834 176.282 175.510 -0.103 0.000 1.028 753 N CA 1.449 54.465 53.050 -0.057 0.000 0.893 753 N CB -0.156 38.300 38.487 -0.052 0.000 0.967 753 N HN 0.778 nan 8.380 nan 0.000 0.440 754 K N 0.386 120.705 120.400 -0.135 0.000 2.270 754 K HA 0.315 4.635 4.320 0.000 0.000 0.276 754 K C -0.135 176.248 176.600 -0.362 0.000 1.023 754 K CA -0.074 56.007 56.287 -0.343 0.000 0.955 754 K CB 1.000 33.232 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.665 121.827 120.500 -0.564 0.000 2.604 755 R HA 0.356 4.696 4.340 0.000 0.000 0.270 755 R C -1.699 174.470 176.300 -0.219 0.000 1.052 755 R CA -0.648 55.330 56.100 -0.203 0.000 0.902 755 R CB 1.349 31.597 30.300 -0.087 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.035 124.441 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 0.000 0.000 0.335 756 W C -0.747 175.852 176.519 0.132 0.000 1.083 756 W CA -0.554 56.851 57.345 0.101 0.000 1.233 756 W CB 2.259 31.749 29.460 0.051 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.650 122.584 119.800 0.223 0.000 2.337 757 Q HA 0.481 4.821 4.340 0.000 0.000 0.270 757 Q C -2.021 173.905 176.000 -0.125 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.186 0.000 0.794 757 Q CB 1.807 30.722 28.738 0.294 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.783 122.826 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 0.000 0.000 0.348 758 F C 0.624 176.444 175.800 0.034 0.000 1.124 758 F CA -0.813 57.245 58.000 0.096 0.000 1.008 758 F CB 1.380 40.455 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.478 122.276 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 0.000 0.000 0.268 759 N C 0.885 176.395 175.510 0.001 0.000 1.171 759 N CA 0.048 53.140 53.050 0.069 0.000 0.948 759 N CB 0.794 39.332 38.487 0.085 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.361 121.783 120.500 -0.130 0.000 2.236 760 R HA -0.029 4.311 4.340 0.000 0.000 0.208 760 R C 1.458 177.682 176.300 -0.127 0.000 1.036 760 R CA 0.963 56.928 56.100 -0.225 0.000 1.001 760 R CB 0.242 30.292 30.300 -0.416 0.000 0.896 760 R HN 0.698 nan 8.270 nan 0.000 0.464 761 Q N -0.479 119.281 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 0.000 0.000 0.210 761 Q C 1.741 177.725 176.000 -0.028 0.000 0.913 761 Q CA 1.213 56.988 55.803 -0.048 0.000 0.911 761 Q CB 0.240 28.965 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.297 116.006 115.700 0.015 0.000 2.439 762 S HA 0.227 4.697 4.470 0.000 0.000 0.224 762 S C 1.599 176.114 174.600 -0.141 0.000 1.029 762 S CA 0.792 59.030 58.200 0.064 0.000 0.946 762 S CB -0.079 63.284 63.200 0.270 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.432 109.164 108.800 -0.113 0.000 2.143 763 G HA2 -0.223 3.737 3.960 0.000 0.000 0.248 763 G HA3 -0.223 3.737 3.960 0.000 0.000 0.248 763 G C -0.106 174.653 174.900 -0.236 0.000 0.991 763 G CA 0.365 45.363 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.364 118.771 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 -0.000 0.000 0.330 764 F C 0.464 176.337 175.800 0.123 0.000 1.056 764 F CA -1.470 56.690 58.000 0.265 0.000 0.964 764 F CB 1.382 40.483 39.000 0.168 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.554 122.904 121.223 0.212 0.000 2.456 765 L HA 0.210 4.550 4.340 0.000 0.000 0.277 765 L C 0.558 177.346 176.870 -0.136 0.000 1.124 765 L CA 0.785 55.365 54.840 -0.434 0.000 0.880 765 L CB 0.246 42.064 42.059 -0.401 0.000 1.192 765 L HN 0.635 nan 8.230 nan 0.000 0.463 766 S N 2.659 118.264 115.700 -0.158 0.000 2.456 766 S HA 0.145 4.615 4.470 0.000 0.000 0.224 766 S C 0.342 174.848 174.600 -0.156 0.000 1.035 766 S CA 0.329 58.488 58.200 -0.068 0.000 0.940 766 S CB 0.040 63.241 63.200 0.001 0.000 0.799 766 S HN 0.741 nan 8.310 nan 0.000 0.508 767 Q N -0.150 119.504 119.800 -0.243 0.000 2.633 767 Q HA 0.626 4.966 4.340 0.000 0.000 0.289 767 Q C -1.656 174.037 176.000 -0.512 0.000 0.940 767 Q CA -0.606 54.932 55.803 -0.441 0.000 0.785 767 Q CB 1.349 29.711 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.324 119.480 119.600 -0.739 0.000 2.465 768 M HA 0.782 5.262 4.480 0.000 0.000 0.284 768 M C -1.964 173.918 176.300 -0.696 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.588 0.000 0.910 768 M CB 1.998 34.286 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.276 124.351 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 -0.000 0.000 0.340 769 W C -1.524 174.788 176.519 -0.345 0.000 1.093 769 W CA -0.897 56.278 57.345 -0.283 0.000 1.212 769 W CB 2.003 31.331 29.460 -0.219 0.000 1.422 769 W HN 0.578 nan 8.180 nan 0.000 0.515 770 I N 2.138 122.714 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 0.000 0.000 0.287 770 I C 0.829 176.945 176.117 -0.002 0.000 1.008 770 I CA 0.250 61.507 61.300 -0.071 0.000 1.104 770 I CB 1.271 39.201 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.594 114.381 108.800 -0.022 0.000 2.583 771 G HA2 -0.302 3.658 3.960 0.000 0.000 0.292 771 G HA3 -0.302 3.658 3.960 0.000 0.000 0.292 771 G C 0.322 175.244 174.900 0.036 0.000 1.203 771 G CA 0.518 45.611 45.100 -0.011 0.000 0.987 771 G HN 0.787 nan 8.290 nan 0.000 0.554 772 D N 0.745 121.180 120.400 0.058 0.000 2.402 772 D HA 0.231 4.871 4.640 0.000 0.000 0.216 772 D C 0.585 177.024 176.300 0.233 0.000 1.128 772 D CA 0.133 54.201 54.000 0.114 0.000 0.833 772 D CB 0.376 41.199 40.800 0.037 0.000 0.971 772 D HN 0.440 nan 8.370 nan 0.000 0.503 773 K N 0.995 121.502 120.400 0.178 0.000 2.211 773 K HA 0.295 4.615 4.320 0.000 0.000 0.275 773 K C -0.069 176.504 176.600 -0.045 0.000 1.024 773 K CA -0.505 55.826 56.287 0.073 0.000 0.887 773 K CB 1.850 34.349 32.500 -0.001 0.000 1.084 773 K HN -0.155 nan 8.250 nan 0.000 0.463 774 K N 1.812 122.090 120.400 -0.202 0.000 2.258 774 K HA 0.048 4.368 4.320 0.000 0.000 0.264 774 K C 0.758 177.149 176.600 -0.347 0.000 1.007 774 K CA -0.157 55.793 56.287 -0.563 0.000 0.941 774 K CB 0.725 32.944 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.986 120.554 119.800 -0.387 0.000 2.316 775 Q HA 0.214 4.554 4.340 0.000 0.000 0.235 775 Q C -0.137 175.779 176.000 -0.140 0.000 0.863 775 Q CA 0.414 56.113 55.803 -0.174 0.000 0.939 775 Q CB 0.589 29.280 28.738 -0.080 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.749 121.837 121.223 -0.224 0.000 2.362 776 L HA 0.426 4.766 4.340 0.000 0.000 0.271 776 L C 0.839 177.585 176.870 -0.208 0.000 1.002 776 L CA -0.462 54.268 54.840 -0.183 0.000 0.818 776 L CB 1.680 43.636 42.059 -0.170 0.000 1.298 776 L HN -0.119 nan 8.230 nan 0.000 0.420 777 L N -0.543 120.548 121.223 -0.220 0.000 2.513 777 L HA 0.275 4.615 4.340 0.000 0.000 0.222 777 L C 0.429 177.186 176.870 -0.188 0.000 1.096 777 L CA 0.562 55.277 54.840 -0.208 0.000 0.857 777 L CB 0.052 41.974 42.059 -0.229 0.000 1.026 777 L HN 0.577 nan 8.230 nan 0.000 0.469 778 T N 0.602 115.031 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.778 4.350 0.000 0.000 0.299 778 T C -2.655 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.166 60.853 62.100 -0.135 0.000 0.996 778 T CB 2.631 71.396 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.229 nan 4.420 nan 0.000 0.272 779 P C -0.670 176.604 177.300 -0.043 0.000 1.223 779 P CA -0.734 62.348 63.100 -0.031 0.000 0.784 779 P CB 0.445 32.153 31.700 0.013 0.000 0.923 780 L N 3.922 125.157 121.223 0.020 0.000 2.361 780 L HA 0.292 4.632 4.340 0.000 0.000 0.278 780 L C 0.577 177.389 176.870 -0.096 0.000 1.113 780 L CA 0.584 55.457 54.840 0.055 0.000 0.849 780 L CB -0.540 41.662 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.097 122.485 120.500 -0.187 0.000 2.734 781 R HA 0.488 4.828 4.340 0.000 0.000 0.271 781 R C -1.215 174.963 176.300 -0.203 0.000 1.021 781 R CA -0.969 54.902 56.100 -0.382 0.000 0.893 781 R CB 0.410 30.132 30.300 -0.963 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.985 121.309 120.400 -0.126 0.000 2.423 782 D HA 0.094 4.734 4.640 0.000 0.000 0.238 782 D C -0.443 175.495 176.300 -0.604 0.000 1.142 782 D CA 0.453 54.239 54.000 -0.357 0.000 0.884 782 D CB 0.636 41.189 40.800 -0.412 0.000 1.199 782 D HN 0.353 nan 8.370 nan 0.000 0.438 783 Q N 1.132 120.354 119.800 -0.964 0.000 2.271 783 Q HA 0.320 4.660 4.340 0.000 0.000 0.268 783 Q C -1.224 174.047 176.000 -1.214 0.000 1.021 783 Q CA -0.580 54.706 55.803 -0.861 0.000 0.802 783 Q CB 0.793 29.252 28.738 -0.466 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.737 120.345 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 0.000 0.000 0.313 784 F C 0.774 176.190 175.800 -0.641 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.424 39.757 39.000 -1.111 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.982 113.313 114.554 -0.431 0.000 2.858 785 T HA 0.764 5.114 4.350 0.000 0.000 0.285 785 T C -0.586 173.888 174.700 -0.377 0.000 1.052 785 T CA -0.983 60.787 62.100 -0.550 0.000 1.009 785 T CB 2.757 71.255 68.868 -0.617 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.413 119.901 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 0.000 0.000 0.272 786 R C -1.093 175.272 176.300 0.109 0.000 1.000 786 R CA -1.176 54.871 56.100 -0.089 0.000 0.906 786 R CB 1.502 31.756 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.253 126.119 122.820 0.077 0.000 2.444 787 A HA 0.329 4.649 4.320 0.000 0.000 0.287 787 A C -2.061 175.599 177.584 0.125 0.000 1.195 787 A CA -1.460 50.624 52.037 0.079 0.000 0.858 787 A CB -0.455 18.546 19.000 0.000 0.000 1.117 787 A HN 0.519 nan 8.150 nan 0.000 0.521 788 P HA 0.017 nan 4.420 nan 0.000 0.263 788 P C -0.276 177.143 177.300 0.198 0.000 1.168 788 P CA 0.586 63.846 63.100 0.267 0.000 0.759 788 P CB 0.295 32.173 31.700 0.297 0.000 0.782 789 L N 2.395 123.706 121.223 0.147 0.000 2.416 789 L HA 0.226 4.566 4.340 0.000 0.000 0.262 789 L C 1.755 178.649 176.870 0.040 0.000 1.093 789 L CA -0.624 54.243 54.840 0.044 0.000 0.801 789 L CB 0.253 42.272 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.582 120.954 120.400 -0.046 0.000 2.116 790 D HA -0.183 4.457 4.640 0.000 0.000 0.193 790 D C 1.587 177.870 176.300 -0.028 0.000 0.998 790 D CA 1.584 55.520 54.000 -0.106 0.000 0.836 790 D CB 0.059 40.754 40.800 -0.176 0.000 0.951 790 D HN 0.503 nan 8.370 nan 0.000 0.449 791 N N 1.186 119.868 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 0.000 0.000 0.188 791 N C 1.230 176.771 175.510 0.051 0.000 1.019 791 N CA 0.868 53.919 53.050 0.002 0.000 0.857 791 N CB -0.329 38.136 38.487 -0.035 0.000 0.997 791 N HN 0.286 nan 8.380 nan 0.000 0.426 792 D N 0.310 120.756 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 0.000 0.000 0.205 792 D C 2.002 178.369 176.300 0.112 0.000 0.965 792 D CA 0.380 54.465 54.000 0.141 0.000 0.852 792 D CB 0.022 40.979 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.475 121.094 120.570 0.082 0.000 2.400 793 I HA -0.007 4.163 4.170 0.000 0.000 0.248 793 I C 1.108 177.238 176.117 0.022 0.000 1.109 793 I CA 0.452 61.782 61.300 0.050 0.000 1.425 793 I CB -0.278 37.732 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.830 111.652 108.800 0.037 0.000 2.247 794 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 794 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 794 G C -0.146 174.790 174.900 0.060 0.000 0.852 794 G CA 0.580 45.719 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.041 118.905 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 0.000 0.000 0.310 795 V C 0.628 176.613 176.094 -0.182 0.000 1.090 795 V CA 0.194 62.463 62.300 -0.051 0.000 0.930 795 V CB 1.743 33.508 31.823 -0.096 0.000 1.014 795 V HN 1.098 nan 8.190 nan 0.000 0.425 796 S N 1.370 116.780 115.700 -0.484 0.000 2.506 796 S HA 0.363 4.833 4.470 0.000 0.000 0.219 796 S C 0.281 174.189 174.600 -1.152 0.000 1.031 796 S CA -0.116 57.302 58.200 -1.304 0.000 0.911 796 S CB -0.079 62.254 63.200 -1.445 0.000 0.812 796 S HN 0.858 nan 8.310 nan 0.000 0.497 797 E N 0.785 120.612 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 0.000 0.000 0.263 797 E C 0.356 176.789 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.852 56.400 -0.439 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.819 125.514 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 0.000 0.000 0.222 798 A C 2.003 179.530 177.584 -0.096 0.000 1.182 798 A CA 2.612 54.581 52.037 -0.114 0.000 0.649 798 A CB -0.800 18.163 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.166 114.317 114.554 -0.118 0.000 2.708 799 T HA -0.066 4.284 4.350 0.000 0.000 0.266 799 T C 0.961 175.603 174.700 -0.097 0.000 1.037 799 T CA 1.269 63.309 62.100 -0.100 0.000 1.146 799 T CB -0.191 68.604 68.868 -0.122 0.000 0.865 799 T HN 0.593 nan 8.240 nan 0.000 0.435 800 R N 1.953 122.377 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 0.000 0.000 0.334 800 R C -0.664 175.574 176.300 -0.102 0.000 1.013 800 R CA -0.600 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.513 30.729 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.287 119.238 120.570 -0.075 0.000 2.385 801 I HA 0.349 4.519 4.170 0.000 0.000 0.294 801 I C -0.480 175.599 176.117 -0.063 0.000 0.988 801 I CA -0.457 60.806 61.300 -0.062 0.000 1.265 801 I CB 1.465 39.439 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.681 128.042 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 0.000 0.000 0.226 802 D C -1.820 174.421 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.540 54.000 -0.078 0.000 0.849 802 D CB 1.714 42.469 40.800 -0.075 0.000 1.052 802 D HN 0.373 nan 8.370 nan 0.000 0.515 803 P HA -0.103 nan 4.420 nan 0.000 0.223 803 P C 0.568 177.768 177.300 -0.166 0.000 1.144 803 P CA 0.733 63.769 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.056 31.700 -0.089 0.000 0.771 804 N N -0.511 118.075 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.826 4.740 0.000 0.000 0.185 804 N C 0.755 176.028 175.510 -0.395 0.000 1.098 804 N CA 0.087 52.965 53.050 -0.287 0.000 0.872 804 N CB -0.055 38.285 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.071 122.722 122.820 -0.281 0.000 2.498 805 A HA 0.029 4.349 4.320 0.000 0.000 0.239 805 A C 0.833 178.169 177.584 -0.412 0.000 1.068 805 A CA -0.328 51.543 52.037 -0.276 0.000 0.766 805 A CB 0.028 18.953 19.000 -0.125 0.000 1.003 805 A HN 0.329 nan 8.150 nan 0.000 0.497 806 W N 1.771 122.789 121.300 -0.470 0.000 2.302 806 W HA -0.225 4.435 4.660 -0.000 0.000 0.320 806 W C 2.254 178.172 176.519 -1.001 0.000 1.241 806 W CA 1.926 58.689 57.345 -0.971 0.000 1.264 806 W CB -0.459 28.299 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.625 120.425 119.914 -0.191 0.000 2.332 807 V HA -0.294 3.826 4.120 0.000 0.000 0.248 807 V C 2.303 178.477 176.094 0.133 0.000 1.055 807 V CA 2.209 64.622 62.300 0.188 0.000 1.038 807 V CB -0.466 31.506 31.823 0.249 0.000 0.651 807 V HN 0.072 nan 8.190 nan 0.000 0.450 808 E N 0.187 120.369 120.200 -0.030 0.000 2.058 808 E HA -0.189 4.161 4.350 0.000 0.000 0.194 808 E C 2.379 178.944 176.600 -0.058 0.000 0.997 808 E CA 1.442 57.819 56.400 -0.037 0.000 0.801 808 E CB -0.370 29.272 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.446 119.938 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 0.000 0.000 0.232 809 R C 2.315 178.560 176.300 -0.091 0.000 1.126 809 R CA 1.114 57.084 56.100 -0.217 0.000 0.963 809 R CB -0.434 29.613 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.982 123.238 121.300 -0.073 0.000 2.358 810 W HA -0.032 4.628 4.660 0.000 0.000 0.303 810 W C 2.062 178.547 176.519 -0.057 0.000 1.208 810 W CA 0.386 57.594 57.345 -0.228 0.000 1.274 810 W CB -0.575 28.869 29.460 -0.026 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N -0.000 120.630 120.400 0.383 0.000 1.985 811 K HA -0.119 4.201 4.320 0.000 0.000 0.210 811 K C 2.200 178.886 176.600 0.144 0.000 1.047 811 K CA 1.738 58.218 56.287 0.322 0.000 0.932 811 K CB -0.650 31.982 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.200 124.069 122.820 0.082 0.000 2.024 812 A HA -0.140 4.180 4.320 0.000 0.000 0.220 812 A C 2.186 179.781 177.584 0.018 0.000 1.164 812 A CA 1.931 53.993 52.037 0.043 0.000 0.643 812 A CB -0.493 18.514 19.000 0.010 0.000 0.806 812 A HN 0.392 nan 8.150 nan 0.000 0.451 813 A N -2.130 120.684 122.820 -0.011 0.000 2.123 813 A HA 0.396 4.716 4.320 0.000 0.000 0.214 813 A C 1.891 179.408 177.584 -0.112 0.000 1.152 813 A CA 1.305 53.336 52.037 -0.011 0.000 0.728 813 A CB -0.716 18.260 19.000 -0.039 0.000 0.814 813 A HN 1.888 nan 8.150 nan 0.000 0.464 814 G N -1.821 106.856 108.800 -0.204 0.000 2.141 814 G HA2 -0.280 3.680 3.960 0.000 0.000 0.231 814 G HA3 -0.280 3.680 3.960 0.000 0.000 0.231 814 G C 0.611 175.479 174.900 -0.054 0.000 0.984 814 G CA 0.611 45.386 45.100 -0.543 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.301 117.722 119.070 -0.078 0.000 2.387 815 H HA -0.113 4.443 4.556 0.000 0.000 0.299 815 H C 2.178 177.458 175.328 -0.079 0.000 1.099 815 H CA 1.651 57.655 56.048 -0.074 0.000 1.315 815 H CB 0.091 29.732 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.737 121.155 120.300 0.196 0.000 2.509 816 Y HA -0.103 4.447 4.550 0.000 0.000 0.293 816 Y C 1.801 177.781 175.900 0.133 0.000 1.133 816 Y CA 0.670 58.850 58.100 0.133 0.000 1.283 816 Y CB 0.414 38.941 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.648 119.311 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 0.000 0.000 0.273 817 Q C -0.290 175.889 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.581 55.803 0.259 0.000 1.118 817 Q CB 0.417 29.300 28.738 0.242 0.000 1.240 817 Q HN 0.127 nan 8.270 nan 0.000 0.445 818 A N 1.154 124.160 122.820 0.309 0.000 2.351 818 A HA 0.376 4.696 4.320 0.000 0.000 0.257 818 A C -0.095 177.753 177.584 0.439 0.000 1.087 818 A CA -0.217 52.049 52.037 0.383 0.000 0.798 818 A CB 0.539 19.763 19.000 0.373 0.000 1.033 818 A HN 0.313 nan 8.150 nan 0.000 0.488 819 E N 0.700 121.096 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 0.000 0.000 0.279 819 E C -0.095 176.485 176.600 -0.033 0.000 0.965 819 E CA -0.233 56.276 56.400 0.180 0.000 0.789 819 E CB 1.771 31.543 29.700 0.120 0.000 1.098 819 E HN 0.725 nan 8.360 nan 0.000 0.397 820 A N 2.338 125.005 122.820 -0.256 0.000 2.371 820 A HA 0.604 4.924 4.320 0.000 0.000 0.257 820 A C -0.256 177.154 177.584 -0.291 0.000 1.089 820 A CA -0.121 51.462 52.037 -0.757 0.000 0.794 820 A CB 0.572 19.064 19.000 -0.846 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.891 124.543 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 0.000 0.000 0.295 821 A C -0.786 176.710 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.409 52.037 -0.128 0.000 0.722 821 A CB 0.755 19.707 19.000 -0.080 0.000 1.206 821 A HN 1.170 nan 8.150 nan 0.000 0.435 822 L N 3.375 124.493 121.223 -0.174 0.000 2.418 822 L HA 0.284 4.624 4.340 0.000 0.000 0.274 822 L C 0.568 177.302 176.870 -0.227 0.000 1.135 822 L CA 0.029 54.661 54.840 -0.348 0.000 0.870 822 L CB 0.089 41.958 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.655 124.735 121.223 -0.237 0.000 2.357 823 L HA 0.226 4.566 4.340 0.000 0.000 0.211 823 L C 0.472 177.275 176.870 -0.112 0.000 1.075 823 L CA 0.184 54.952 54.840 -0.120 0.000 0.830 823 L CB 0.084 42.107 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.653 119.047 119.800 -0.166 0.000 2.617 824 Q HA 0.295 4.635 4.340 0.000 0.000 0.270 824 Q C -1.935 173.999 176.000 -0.111 0.000 0.967 824 Q CA -0.762 54.979 55.803 -0.104 0.000 0.887 824 Q CB 2.282 30.990 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.768 122.043 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 0.000 0.000 0.369 825 C C -1.097 173.957 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.846 28.596 27.740 0.017 0.000 1.764 825 C HN 0.905 nan 8.230 nan 0.000 0.469 826 T N 2.791 117.374 114.554 0.048 0.000 2.883 826 T HA 0.891 5.241 4.350 0.000 0.000 0.301 826 T C -0.593 173.954 174.700 -0.256 0.000 1.158 826 T CA -0.062 62.023 62.100 -0.026 0.000 1.007 826 T CB 1.805 70.651 68.868 -0.037 0.000 1.186 826 T HN 1.987 nan 8.240 nan 0.000 0.499 827 A N 1.660 124.205 122.820 -0.459 0.000 2.401 827 A HA 0.841 5.161 4.320 0.000 0.000 0.310 827 A C -1.236 176.126 177.584 -0.370 0.000 1.075 827 A CA -0.645 51.012 52.037 -0.633 0.000 0.746 827 A CB 1.450 19.654 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.290 120.519 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 0.000 0.000 0.223 828 D C -1.312 174.903 176.300 -0.142 0.000 1.231 828 D CA -0.011 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.437 43.164 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.511 116.007 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 0.000 0.000 0.285 829 T C 0.121 174.791 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.475 62.100 -0.069 0.000 0.965 829 T CB 1.093 69.935 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.674 122.869 121.223 -0.047 0.000 2.376 830 L HA 0.679 5.020 4.340 0.000 0.000 0.267 830 L C 1.807 178.663 176.870 -0.024 0.000 1.035 830 L CA -0.501 54.318 54.840 -0.034 0.000 0.800 830 L CB 0.111 42.148 42.059 -0.036 0.000 1.290 830 L HN 0.722 nan 8.230 nan 0.000 0.462 831 A N -0.171 122.638 122.820 -0.018 0.000 1.933 831 A HA -0.148 4.172 4.320 0.000 0.000 0.218 831 A C 0.948 178.525 177.584 -0.012 0.000 1.175 831 A CA 2.036 54.066 52.037 -0.012 0.000 0.628 831 A CB -0.707 18.287 19.000 -0.009 0.000 0.814 831 A HN 0.862 nan 8.150 nan 0.000 0.444 832 D N -2.474 117.915 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.204 4.640 0.000 0.000 0.217 832 D C 0.236 176.520 176.300 -0.026 0.000 1.159 832 D CA 0.660 54.648 54.000 -0.019 0.000 0.828 832 D CB 0.500 41.289 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.412 122.388 122.820 -0.033 0.000 2.511 833 A HA 0.619 4.939 4.320 0.000 0.000 0.293 833 A C -1.749 175.795 177.584 -0.066 0.000 1.098 833 A CA -0.787 51.219 52.037 -0.051 0.000 0.643 833 A CB 0.763 19.731 19.000 -0.054 0.000 1.302 833 A HN -0.015 nan 8.150 nan 0.000 0.446 834 V N 0.309 120.165 119.914 -0.097 0.000 2.547 834 V HA 0.690 4.810 4.120 0.000 0.000 0.299 834 V C -0.874 175.135 176.094 -0.142 0.000 1.040 834 V CA -0.476 61.748 62.300 -0.127 0.000 0.913 834 V CB 1.358 33.091 31.823 -0.150 0.000 0.992 834 V HN 0.825 nan 8.190 nan 0.000 0.449 835 L N 5.778 126.907 121.223 -0.156 0.000 2.376 835 L HA 0.655 4.995 4.340 0.000 0.000 0.275 835 L C -0.913 175.837 176.870 -0.200 0.000 0.987 835 L CA -0.069 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.416 43.417 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.685 124.147 120.570 -0.179 0.000 2.441 836 I HA 0.531 4.701 4.170 0.000 0.000 0.295 836 I C -0.045 176.060 176.117 -0.019 0.000 0.994 836 I CA -0.381 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.722 39.364 38.000 -0.596 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.521 119.050 114.554 -0.041 0.000 2.879 837 T HA 0.631 4.981 4.350 0.000 0.000 0.290 837 T C -0.002 174.738 174.700 0.067 0.000 0.993 837 T CA -0.533 61.593 62.100 0.042 0.000 0.975 837 T CB 1.758 70.626 68.868 -0.002 0.000 0.981 837 T HN 0.806 nan 8.240 nan 0.000 0.439 838 T N -0.223 114.415 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 0.000 0.000 0.293 838 T C -1.138 173.629 174.700 0.112 0.000 1.084 838 T CA -1.110 61.056 62.100 0.109 0.000 1.008 838 T CB 2.099 71.118 68.868 0.251 0.000 1.170 838 T HN 0.790 nan 8.240 nan 0.000 0.509 839 A N 1.431 124.241 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.033 4.320 0.000 0.000 0.292 839 A C -1.492 176.029 177.584 -0.104 0.000 1.041 839 A CA -0.790 51.286 52.037 0.066 0.000 0.718 839 A CB 0.723 19.749 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.258 119.393 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 0.000 0.000 0.372 840 H C 0.028 175.410 175.328 0.090 0.000 1.168 840 H CA 0.157 56.190 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.729 29.762 -0.234 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.332 124.198 122.820 0.076 0.000 2.371 841 A HA 0.468 4.788 4.320 0.000 0.000 0.311 841 A C -1.414 176.239 177.584 0.114 0.000 1.068 841 A CA -0.721 51.437 52.037 0.202 0.000 0.744 841 A CB 1.209 20.280 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.222 123.613 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 0.000 0.000 0.314 842 W C -0.316 176.189 176.519 -0.023 0.000 1.062 842 W CA -0.298 57.118 57.345 0.117 0.000 1.211 842 W CB 1.697 31.270 29.460 0.187 0.000 1.305 842 W HN 0.774 nan 8.180 nan 0.000 0.476 843 Q N 1.855 121.784 119.800 0.214 0.000 2.496 843 Q HA 0.480 4.820 4.340 0.000 0.000 0.286 843 Q C -1.027 175.099 176.000 0.210 0.000 1.103 843 Q CA -0.971 54.913 55.803 0.135 0.000 0.813 843 Q CB 3.500 32.285 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.796 119.890 119.070 0.039 0.000 3.240 844 H HA 0.051 4.607 4.556 0.000 0.000 0.329 844 H C -0.968 174.385 175.328 0.042 0.000 1.024 844 H CA 0.029 56.111 56.048 0.056 0.000 1.487 844 H CB 0.961 30.764 29.762 0.068 0.000 1.909 844 H HN 0.864 nan 8.280 nan 0.000 0.465 845 Q N 3.217 122.802 119.800 -0.358 0.000 2.453 845 Q HA -0.236 4.104 4.340 0.000 0.000 0.294 845 Q C 0.945 176.900 176.000 -0.074 0.000 1.295 845 Q CA 1.138 56.796 55.803 -0.241 0.000 0.853 845 Q CB -1.463 27.096 28.738 -0.298 0.000 1.193 845 Q HN 1.171 nan 8.270 nan 0.000 0.461 846 G N -0.190 108.587 108.800 -0.037 0.000 2.205 846 G HA2 -0.378 3.582 3.960 0.000 0.000 0.261 846 G HA3 -0.378 3.582 3.960 0.000 0.000 0.261 846 G C 0.069 174.977 174.900 0.014 0.000 0.980 846 G CA 0.676 45.772 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.226 121.644 120.400 0.030 0.000 2.156 847 K HA 0.619 4.940 4.320 0.000 0.000 0.271 847 K C -0.132 176.481 176.600 0.021 0.000 0.995 847 K CA -0.123 56.183 56.287 0.032 0.000 0.890 847 K CB 0.859 33.386 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.736 120.292 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 0.000 0.000 0.296 848 T C 1.095 175.729 174.700 -0.110 0.000 0.940 848 T CA -0.565 61.528 62.100 -0.012 0.000 1.013 848 T CB 0.536 69.419 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.997 123.037 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 0.000 0.000 0.203 849 L C -0.070 176.311 176.870 -0.814 0.000 1.078 849 L CA 0.862 55.251 54.840 -0.752 0.000 0.780 849 L CB -0.037 41.103 42.059 -1.532 0.000 0.939 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.085 118.816 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 0.000 0.000 0.311 850 F C -0.518 175.377 175.800 0.159 0.000 1.088 850 F CA -0.865 57.053 58.000 -0.137 0.000 0.949 850 F CB 1.981 40.565 39.000 -0.694 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.421 122.228 120.570 0.394 0.000 2.466 851 I HA 0.405 4.575 4.170 0.000 0.000 0.289 851 I C -0.887 175.494 176.117 0.440 0.000 1.026 851 I CA -0.574 60.979 61.300 0.421 0.000 1.078 851 I CB 2.228 40.390 38.000 0.271 0.000 1.249 851 I HN 0.569 nan 8.210 nan 0.000 0.429 852 S N 6.713 122.769 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 0.000 0.000 0.314 852 S C -0.769 174.083 174.600 0.420 0.000 1.099 852 S CA -0.671 57.848 58.200 0.532 0.000 1.070 852 S CB 0.792 64.423 63.200 0.719 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.433 124.102 120.500 0.282 0.000 2.480 853 R HA 0.556 4.896 4.340 0.000 0.000 0.306 853 R C -0.756 175.622 176.300 0.130 0.000 0.958 853 R CA -0.776 55.448 56.100 0.206 0.000 0.861 853 R CB 1.931 32.325 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.670 121.143 120.400 0.122 0.000 2.433 854 K HA 0.558 4.878 4.320 0.000 0.000 0.252 854 K C -0.728 175.858 176.600 -0.024 0.000 1.015 854 K CA -0.970 55.307 56.287 -0.016 0.000 0.860 854 K CB 2.444 34.888 32.500 -0.094 0.000 1.359 854 K HN 0.623 nan 8.250 nan 0.000 0.452 855 T N -1.415 113.036 114.554 -0.171 0.000 2.952 855 T HA 0.534 4.884 4.350 0.000 0.000 0.305 855 T C -1.456 173.117 174.700 -0.211 0.000 1.064 855 T CA -0.786 61.265 62.100 -0.082 0.000 1.008 855 T CB 0.430 69.281 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.249 121.530 120.300 -0.032 0.000 2.350 856 Y HA 0.704 5.254 4.550 0.000 0.000 0.338 856 Y C 0.391 176.238 175.900 -0.088 0.000 0.961 856 Y CA -1.100 56.989 58.100 -0.019 0.000 1.100 856 Y CB 2.015 40.480 38.460 0.009 0.000 1.179 856 Y HN 0.807 nan 8.280 nan 0.000 0.454 857 R N 4.906 125.454 120.500 0.079 0.000 2.483 857 R HA 0.633 4.973 4.340 0.000 0.000 0.303 857 R C -1.999 174.262 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.835 31.128 30.300 -0.013 0.000 1.177 857 R HN 0.819 nan 8.270 nan 0.000 0.451 858 I N 4.590 125.067 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 0.000 0.000 0.289 858 I C -0.384 175.633 176.117 -0.167 0.000 0.994 858 I CA -0.945 60.202 61.300 -0.254 0.000 1.158 858 I CB 1.612 39.297 38.000 -0.526 0.000 1.315 858 I HN 0.709 nan 8.210 nan 0.000 0.451 859 D N 4.027 124.359 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 0.000 0.000 0.254 859 D C 1.232 177.513 176.300 -0.032 0.000 1.089 859 D CA -0.692 53.272 54.000 -0.059 0.000 1.050 859 D CB 0.959 41.740 40.800 -0.032 0.000 1.221 859 D HN 0.501 nan 8.370 nan 0.000 0.589 860 G N -1.218 107.570 108.800 -0.019 0.000 2.498 860 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 860 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 860 G C 1.172 176.076 174.900 0.008 0.000 1.119 860 G CA 1.080 46.178 45.100 -0.004 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.552 861 S N -0.862 114.842 115.700 0.007 0.000 2.593 861 S HA 0.371 4.841 4.470 0.000 0.000 0.217 861 S C 1.699 176.339 174.600 0.066 0.000 0.966 861 S CA 0.892 59.106 58.200 0.024 0.000 0.914 861 S CB -0.007 63.203 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.853 109.705 108.800 0.087 0.000 2.160 862 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 862 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 862 G C -0.356 174.647 174.900 0.171 0.000 1.022 862 G CA -0.004 45.211 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.785 119.058 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 0.000 0.000 0.260 863 Q C 0.059 176.070 176.000 0.020 0.000 0.974 863 Q CA -0.608 55.245 55.803 0.082 0.000 0.876 863 Q CB 1.995 30.782 28.738 0.081 0.000 1.297 863 Q HN 0.391 nan 8.270 nan 0.000 0.446 864 M N 2.017 121.665 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 0.000 0.000 0.332 864 M C -1.514 174.886 176.300 0.167 0.000 1.014 864 M CA -0.512 54.826 55.300 0.064 0.000 0.956 864 M CB 1.104 33.738 32.600 0.056 0.000 1.551 864 M HN 0.756 nan 8.290 nan 0.000 0.427 865 A N 6.973 129.860 122.820 0.111 0.000 2.288 865 A HA 0.772 5.092 4.320 0.000 0.000 0.320 865 A C -0.893 176.731 177.584 0.066 0.000 1.217 865 A CA -0.695 51.405 52.037 0.106 0.000 0.840 865 A CB 0.553 19.595 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.455 122.048 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 0.000 0.000 0.294 866 I C -0.179 175.834 176.117 -0.174 0.000 1.005 866 I CA -0.383 60.846 61.300 -0.119 0.000 1.113 866 I CB 2.380 40.325 38.000 -0.090 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.032 119.428 114.554 -0.262 0.000 2.841 867 T HA 0.550 4.900 4.350 0.000 0.000 0.285 867 T C -0.612 173.883 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.867 70.677 68.868 -0.096 0.000 0.962 867 T HN 0.251 nan 8.240 nan 0.000 0.438 868 V N 3.965 123.549 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.713 4.120 0.000 0.000 0.302 868 V C -0.784 175.140 176.094 -0.284 0.000 1.035 868 V CA -0.913 61.088 62.300 -0.497 0.000 0.873 868 V CB 2.114 33.383 31.823 -0.922 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.062 123.465 120.400 0.004 0.000 2.686 869 D HA 0.512 5.152 4.640 0.000 0.000 0.249 869 D C -1.122 175.307 176.300 0.216 0.000 1.260 869 D CA -0.120 53.984 54.000 0.173 0.000 0.910 869 D CB 2.787 43.719 40.800 0.221 0.000 1.323 869 D HN 0.275 nan 8.370 nan 0.000 0.561 870 V N 1.889 121.968 119.914 0.275 0.000 2.628 870 V HA 0.368 4.488 4.120 0.000 0.000 0.306 870 V C 0.049 176.292 176.094 0.248 0.000 1.045 870 V CA -0.704 61.766 62.300 0.283 0.000 0.905 870 V CB 2.530 34.545 31.823 0.320 0.000 0.997 870 V HN 0.384 nan 8.190 nan 0.000 0.436 871 E N 1.929 122.263 120.200 0.222 0.000 2.187 871 E HA 0.677 5.027 4.350 0.000 0.000 0.268 871 E C -1.591 175.134 176.600 0.209 0.000 0.896 871 E CA -0.488 56.023 56.400 0.185 0.000 0.766 871 E CB 2.386 32.180 29.700 0.157 0.000 1.142 871 E HN 0.471 nan 8.360 nan 0.000 0.408 872 V N 2.287 122.323 119.914 0.204 0.000 2.487 872 V HA 0.455 4.575 4.120 0.000 0.000 0.298 872 V C -0.061 176.134 176.094 0.167 0.000 1.028 872 V CA -1.010 61.435 62.300 0.241 0.000 0.860 872 V CB 1.602 33.590 31.823 0.275 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.222 126.110 122.820 0.114 0.000 2.548 873 A HA 0.294 4.614 4.320 0.000 0.000 0.247 873 A C 1.676 179.338 177.584 0.129 0.000 1.067 873 A CA 0.639 52.726 52.037 0.083 0.000 0.757 873 A CB 0.248 19.264 19.000 0.026 0.000 0.996 873 A HN 1.398 nan 8.150 nan 0.000 0.504 874 S N 1.626 117.394 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 0.000 0.000 0.232 874 S C 0.984 175.670 174.600 0.142 0.000 1.025 874 S CA 1.598 59.879 58.200 0.135 0.000 0.993 874 S CB -0.342 62.914 63.200 0.093 0.000 0.808 874 S HN 0.825 nan 8.310 nan 0.000 0.478 875 D N 0.277 120.737 120.400 0.101 0.000 2.325 875 D HA 0.153 4.793 4.640 0.000 0.000 0.225 875 D C 0.506 176.857 176.300 0.084 0.000 1.096 875 D CA 0.017 54.063 54.000 0.078 0.000 0.844 875 D CB -0.329 40.500 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.756 115.390 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 0.000 0.000 0.284 876 T C -2.673 172.160 174.700 0.223 0.000 1.015 876 T CA -2.026 60.179 62.100 0.176 0.000 1.042 876 T CB 1.394 70.380 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.192 nan 4.420 nan 0.000 0.271 877 P C -0.639 176.971 177.300 0.518 0.000 1.216 877 P CA -0.234 62.976 63.100 0.183 0.000 0.776 877 P CB 0.149 31.936 31.700 0.146 0.000 0.881 878 H N 2.943 122.358 119.070 0.574 0.000 2.964 878 H HA 0.092 4.648 4.556 0.000 0.000 0.328 878 H C -1.870 173.805 175.328 0.578 0.000 1.030 878 H CA -1.738 54.597 56.048 0.478 0.000 1.445 878 H CB -0.951 29.027 29.762 0.361 0.000 1.449 878 H HN 0.312 nan 8.280 nan 0.000 0.581 879 P HA 0.089 nan 4.420 nan 0.000 0.274 879 P C 0.387 177.609 177.300 -0.130 0.000 1.231 879 P CA -0.335 62.836 63.100 0.118 0.000 0.790 879 P CB 0.838 32.471 31.700 -0.112 0.000 0.951 880 A N 3.088 125.598 122.820 -0.517 0.000 1.969 880 A HA -0.087 4.233 4.320 0.000 0.000 0.218 880 A C 1.069 178.282 177.584 -0.618 0.000 1.169 880 A CA 1.468 53.149 52.037 -0.592 0.000 0.635 880 A CB -0.558 17.897 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.938 117.236 120.500 -0.543 0.000 2.752 881 R HA 0.704 5.044 4.340 0.000 0.000 0.277 881 R C -1.888 174.174 176.300 -0.397 0.000 1.024 881 R CA -0.819 54.973 56.100 -0.513 0.000 0.866 881 R CB 0.585 30.516 30.300 -0.614 0.000 1.278 881 R HN 0.026 nan 8.270 nan 0.000 0.473 882 I N 1.058 121.428 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 0.000 0.000 0.280 882 I C -0.475 175.415 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.316 0.000 1.080 882 I CB 1.790 39.679 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.770 114.303 108.800 -0.445 0.000 2.578 883 G HA2 0.733 4.693 3.960 0.000 0.000 0.302 883 G HA3 0.733 4.693 3.960 0.000 0.000 0.302 883 G C -1.765 172.963 174.900 -0.288 0.000 1.243 883 G CA -0.535 44.355 45.100 -0.351 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.550 121.653 121.223 -0.201 0.000 2.303 884 L HA 0.707 5.047 4.340 0.000 0.000 0.256 884 L C -0.706 176.061 176.870 -0.171 0.000 1.034 884 L CA -1.123 53.618 54.840 -0.166 0.000 0.832 884 L CB 2.604 44.632 42.059 -0.053 0.000 1.403 884 L HN 0.868 nan 8.230 nan 0.000 0.419 885 N N 0.099 118.727 118.700 -0.120 0.000 2.823 885 N HA 0.671 5.411 4.740 0.000 0.000 0.251 885 N C -1.342 174.181 175.510 0.022 0.000 1.392 885 N CA -0.535 52.480 53.050 -0.058 0.000 0.864 885 N CB 2.158 40.623 38.487 -0.037 0.000 1.481 885 N HN 0.898 nan 8.380 nan 0.000 0.508 886 C N -1.637 117.718 119.300 0.092 0.000 3.253 886 C HA 0.579 5.039 4.460 0.000 0.000 0.342 886 C C -1.381 173.536 174.990 -0.123 0.000 1.306 886 C CA -0.833 58.213 59.018 0.047 0.000 1.207 886 C CB 0.939 28.687 27.740 0.013 0.000 1.479 886 C HN 0.883 nan 8.230 nan 0.000 0.469 887 Q N 1.308 120.820 119.800 -0.481 0.000 2.347 887 Q HA 0.685 5.025 4.340 0.000 0.000 0.262 887 Q C -1.046 174.676 176.000 -0.463 0.000 0.980 887 Q CA -0.443 54.804 55.803 -0.927 0.000 0.867 887 Q CB 0.902 28.713 28.738 -1.545 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.612 123.642 121.223 -0.322 0.000 2.375 888 L HA 0.355 4.696 4.340 0.000 0.000 0.271 888 L C 1.183 177.960 176.870 -0.155 0.000 1.107 888 L CA -0.342 54.413 54.840 -0.142 0.000 0.806 888 L CB 0.973 43.044 42.059 0.020 0.000 1.146 888 L HN 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.116 124.870 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 0.000 0.000 0.217 889 A C 1.164 178.712 177.584 -0.059 0.000 1.175 889 A CA 0.877 52.850 52.037 -0.107 0.000 0.627 889 A CB -0.318 18.619 19.000 -0.106 0.000 0.815 889 A HN 0.818 nan 8.150 nan 0.000 0.443 890 Q N -0.526 119.270 119.800 -0.008 0.000 2.368 890 Q HA 0.463 4.803 4.340 0.000 0.000 0.237 890 Q C -1.141 174.877 176.000 0.030 0.000 0.987 890 Q CA 0.098 55.898 55.803 -0.003 0.000 0.896 890 Q CB 0.965 29.711 28.738 0.013 0.000 1.241 890 Q HN 0.151 nan 8.270 nan 0.000 0.485 891 V N 2.316 122.214 119.914 -0.026 0.000 2.612 891 V HA 0.790 4.910 4.120 0.000 0.000 0.301 891 V C -0.832 175.211 176.094 -0.084 0.000 1.059 891 V CA -0.144 62.172 62.300 0.026 0.000 0.886 891 V CB 1.149 32.985 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.237 125.971 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 0.000 0.000 0.293 892 A C 0.526 178.144 177.584 0.055 0.000 1.186 892 A CA -0.338 51.588 52.037 -0.185 0.000 0.828 892 A CB 1.644 20.329 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.234 119.989 120.200 0.038 0.000 2.060 893 E HA 0.071 4.421 4.350 0.000 0.000 0.189 893 E C 0.615 177.300 176.600 0.142 0.000 0.974 893 E CA 0.990 57.440 56.400 0.083 0.000 0.808 893 E CB 0.142 29.869 29.700 0.045 0.000 0.768 893 E HN 0.538 nan 8.360 nan 0.000 0.453 894 R N -0.533 120.059 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 0.000 0.000 0.258 894 R C -1.042 175.445 176.300 0.312 0.000 1.066 894 R CA -0.900 55.319 56.100 0.198 0.000 1.045 894 R CB 2.071 32.456 30.300 0.142 0.000 1.178 894 R HN -0.142 nan 8.270 nan 0.000 0.499 895 V N 1.445 121.549 119.914 0.317 0.000 2.623 895 V HA 0.325 4.445 4.120 0.000 0.000 0.304 895 V C -0.711 175.654 176.094 0.452 0.000 1.054 895 V CA -0.968 61.562 62.300 0.382 0.000 0.882 895 V CB 1.921 33.928 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.967 122.924 118.700 0.428 0.000 2.295 896 N HA 0.571 5.311 4.740 0.000 0.000 0.293 896 N C -1.454 174.334 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.025 41.621 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.009 124.371 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 0.000 0.000 0.332 897 W C -2.167 174.362 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.726 30.266 29.460 0.133 0.000 1.445 897 W HN 0.247 nan 8.180 nan 0.000 0.573 898 L N 3.768 125.017 121.223 0.043 0.000 2.324 898 L HA 0.910 5.250 4.340 0.000 0.000 0.274 898 L C -0.050 176.796 176.870 -0.040 0.000 1.012 898 L CA 0.376 55.077 54.840 -0.233 0.000 0.859 898 L CB 0.773 42.742 42.059 -0.149 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.664 112.358 108.800 -0.175 0.000 2.393 899 G HA2 0.220 4.180 3.960 0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 0.000 0.000 0.264 899 G C -1.632 173.432 174.900 0.274 0.000 1.221 899 G CA -0.994 44.219 45.100 0.190 0.000 0.912 899 G HN 0.375 nan 8.290 nan 0.000 0.483 900 L N 1.267 122.723 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 0.000 0.000 0.278 900 L C 0.964 177.888 176.870 0.090 0.000 1.106 900 L CA 0.450 55.433 54.840 0.238 0.000 0.824 900 L CB 0.670 42.797 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.157 111.732 108.800 -0.374 0.000 2.554 901 G HA2 0.400 4.360 3.960 0.000 0.000 0.306 901 G HA3 0.400 4.360 3.960 0.000 0.000 0.306 901 G C -2.768 171.276 174.900 -1.427 0.000 1.320 901 G CA -0.304 44.157 45.100 -1.065 0.000 0.800 901 G HN 0.320 nan 8.290 nan 0.000 0.481 902 P HA 0.148 nan 4.420 nan 0.000 0.259 902 P C 0.403 177.486 177.300 -0.362 0.000 1.233 902 P CA 0.311 62.791 63.100 -1.034 0.000 0.827 902 P CB 0.782 32.043 31.700 -0.732 0.000 1.154 903 Q N 0.622 120.221 119.800 -0.335 0.000 2.318 903 Q HA 0.142 4.482 4.340 0.000 0.000 0.222 903 Q C 0.381 176.258 176.000 -0.206 0.000 1.003 903 Q CA -0.551 55.130 55.803 -0.204 0.000 0.936 903 Q CB 0.695 29.342 28.738 -0.151 0.000 1.204 903 Q HN 0.109 nan 8.270 nan 0.000 0.524 904 E N 1.321 121.414 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 0.000 0.000 0.259 904 E C -1.179 175.340 176.600 -0.135 0.000 0.951 904 E CA 0.293 56.582 56.400 -0.185 0.000 0.945 904 E CB 0.211 29.873 29.700 -0.063 0.000 0.916 904 E HN 0.568 nan 8.360 nan 0.000 0.477 905 N N 2.803 121.344 118.700 -0.266 0.000 2.308 905 N HA 0.317 5.057 4.740 0.000 0.000 0.283 905 N C -1.882 173.388 175.510 -0.400 0.000 1.105 905 N CA -0.685 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.722 39.119 38.487 -0.150 0.000 1.633 905 N HN 0.238 nan 8.380 nan 0.000 0.476 906 Y N 0.077 120.285 120.300 -0.152 0.000 2.598 906 Y HA 0.513 5.063 4.550 0.000 0.000 0.340 906 Y C -1.610 174.221 175.900 -0.116 0.000 1.038 906 Y CA -2.076 55.923 58.100 -0.167 0.000 1.100 906 Y CB 1.722 40.078 38.460 -0.174 0.000 1.281 906 Y HN 0.435 nan 8.280 nan 0.000 0.488 907 P HA -0.187 nan 4.420 nan 0.000 0.216 907 P C 0.414 177.665 177.300 -0.082 0.000 1.154 907 P CA 2.152 65.295 63.100 0.072 0.000 0.865 907 P CB 0.189 32.012 31.700 0.206 0.000 0.789 908 D N -2.146 118.019 120.400 -0.391 0.000 2.358 908 D HA 0.015 4.655 4.640 0.000 0.000 0.224 908 D C 0.568 176.734 176.300 -0.223 0.000 1.123 908 D CA -0.016 53.550 54.000 -0.724 0.000 0.833 908 D CB -0.228 39.773 40.800 -1.331 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.008 121.473 120.500 -0.059 0.000 2.837 909 R HA 0.208 4.548 4.340 0.000 0.000 0.245 909 R C -0.808 175.526 176.300 0.056 0.000 1.712 909 R CA -0.209 55.909 56.100 0.030 0.000 1.539 909 R CB 0.076 30.395 30.300 0.032 0.000 1.490 909 R HN 0.111 nan 8.270 nan 0.000 0.667 910 L N -1.054 120.211 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 0.000 0.000 0.338 910 L C 1.174 178.104 176.870 0.101 0.000 1.275 910 L CA 0.058 54.936 54.840 0.063 0.000 1.092 910 L CB 0.185 42.264 42.059 0.034 0.000 1.465 910 L HN 0.140 nan 8.230 nan 0.000 0.625 911 T N -2.582 112.059 114.554 0.146 0.000 2.915 911 T HA 0.060 4.410 4.350 0.000 0.000 0.269 911 T C 1.698 176.492 174.700 0.157 0.000 1.071 911 T CA 1.273 63.488 62.100 0.191 0.000 1.132 911 T CB -0.192 68.827 68.868 0.252 0.000 0.878 911 T HN 0.403 nan 8.240 nan 0.000 0.479 912 A N 1.280 124.196 122.820 0.159 0.000 2.119 912 A HA 0.681 5.001 4.320 0.000 0.000 0.216 912 A C 1.658 179.338 177.584 0.160 0.000 1.152 912 A CA 0.496 52.587 52.037 0.091 0.000 0.708 912 A CB -0.878 18.290 19.000 0.280 0.000 0.805 912 A HN 0.820 nan 8.150 nan 0.000 0.460 916 D N 3.072 122.863 120.400 -1.016 0.000 3.145 916 D HA 0.310 4.950 4.640 0.000 0.000 0.345 916 D C -1.540 173.834 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.465 54.000 -1.303 0.000 0.930 916 D CB 2.274 42.255 40.800 -1.366 0.000 1.451 916 D HN 0.622 nan 8.370 nan 0.000 0.555 917 R N 0.563 120.198 120.500 -1.442 0.000 2.255 917 R HA 0.466 4.806 4.340 0.000 0.000 0.326 917 R C -1.373 174.096 176.300 -1.385 0.000 0.986 917 R CA -0.433 54.974 56.100 -1.155 0.000 0.847 917 R CB 0.577 30.480 30.300 -0.661 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.623 123.360 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 0.000 0.000 0.340 918 W C -0.514 175.620 176.519 -0.642 0.000 1.060 918 W CA -0.665 56.086 57.345 -0.990 0.000 1.218 918 W CB 1.544 29.927 29.460 -1.795 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.613 122.961 120.400 -0.086 0.000 2.736 919 D HA 0.522 5.162 4.640 0.000 0.000 0.243 919 D C -1.286 175.111 176.300 0.160 0.000 1.304 919 D CA -0.130 53.919 54.000 0.080 0.000 0.934 919 D CB 1.217 42.030 40.800 0.021 0.000 1.382 919 D HN 0.401 nan 8.370 nan 0.000 0.571 920 L N 2.530 123.916 121.223 0.272 0.000 2.397 920 L HA 0.570 4.910 4.340 0.000 0.000 0.251 920 L C -2.521 174.472 176.870 0.206 0.000 1.064 920 L CA -2.175 52.801 54.840 0.227 0.000 0.859 920 L CB 2.682 44.907 42.059 0.277 0.000 1.468 920 L HN 0.149 nan 8.230 nan 0.000 0.411 921 P HA 0.143 nan 4.420 nan 0.000 0.284 921 P C 0.491 177.875 177.300 0.140 0.000 1.253 921 P CA -0.476 62.705 63.100 0.135 0.000 0.800 921 P CB 1.205 32.964 31.700 0.098 0.000 0.961 922 L N 3.687 124.999 121.223 0.148 0.000 2.064 922 L HA -0.310 4.030 4.340 0.000 0.000 0.216 922 L C 2.224 179.153 176.870 0.098 0.000 1.077 922 L CA 2.826 57.742 54.840 0.126 0.000 0.766 922 L CB -1.518 40.629 42.059 0.146 0.000 0.890 922 L HN 0.456 nan 8.230 nan 0.000 0.435 923 S N -1.523 114.236 115.700 0.097 0.000 2.374 923 S HA -0.225 4.245 4.470 0.000 0.000 0.227 923 S C 1.653 176.329 174.600 0.127 0.000 1.037 923 S CA 1.350 59.615 58.200 0.110 0.000 1.024 923 S CB -0.928 62.327 63.200 0.090 0.000 0.861 923 S HN 0.543 nan 8.310 nan 0.000 0.456 924 D N 1.260 121.716 120.400 0.093 0.000 2.350 924 D HA 0.061 4.701 4.640 0.000 0.000 0.216 924 D C 1.246 177.568 176.300 0.037 0.000 0.968 924 D CA 0.632 54.670 54.000 0.063 0.000 0.894 924 D CB -0.230 40.610 40.800 0.066 0.000 0.909 924 D HN 0.390 nan 8.370 nan 0.000 0.520 925 M N -0.376 119.257 119.600 0.055 0.000 2.568 925 M HA 0.065 4.545 4.480 0.000 0.000 0.226 925 M C -0.114 176.216 176.300 0.049 0.000 1.148 925 M CA 0.027 55.321 55.300 -0.010 0.000 1.007 925 M CB -0.983 31.602 32.600 -0.024 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.442 119.824 120.300 -0.056 0.000 2.425 926 Y HA 0.476 5.026 4.550 0.000 0.000 0.344 926 Y C -0.854 174.986 175.900 -0.100 0.000 0.969 926 Y CA -0.849 57.224 58.100 -0.044 0.000 1.052 926 Y CB 1.443 39.932 38.460 0.047 0.000 1.215 926 Y HN -0.111 nan 8.280 nan 0.000 0.451 927 T N 8.752 122.800 114.554 -0.842 0.000 2.801 927 T HA 0.273 4.623 4.350 0.000 0.000 0.306 927 T C -2.650 171.225 174.700 -1.374 0.000 1.020 927 T CA -1.512 59.995 62.100 -0.989 0.000 0.948 927 T CB 0.985 69.365 68.868 -0.812 0.000 0.962 927 T HN 0.447 nan 8.240 nan 0.000 0.465 928 P HA 0.082 nan 4.420 nan 0.000 0.238 928 P C -0.583 176.555 177.300 -0.270 0.000 1.714 928 P CA -0.380 62.299 63.100 -0.700 0.000 0.908 928 P CB -0.838 30.600 31.700 -0.436 0.000 1.893 929 Y N -0.401 119.804 120.300 -0.158 0.000 2.717 929 Y HA -0.098 4.452 4.550 0.000 0.000 0.330 929 Y C 2.278 178.218 175.900 0.067 0.000 1.217 929 Y CA -0.402 57.682 58.100 -0.027 0.000 1.506 929 Y CB 0.458 38.858 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.045 124.166 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 0.000 0.000 0.251 930 V C 0.629 176.888 176.094 0.274 0.000 1.062 930 V CA 1.608 64.092 62.300 0.306 0.000 1.038 930 V CB -0.534 31.505 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.481 123.483 119.950 0.088 0.000 2.391 931 F HA 0.496 5.023 4.527 0.000 0.000 0.359 931 F C -2.325 173.492 175.800 0.029 0.000 1.122 931 F CA -3.150 54.855 58.000 0.007 0.000 1.120 931 F CB 0.944 39.853 39.000 -0.151 0.000 1.142 931 F HN 0.002 nan 8.300 nan 0.000 0.483 932 P HA 0.349 nan 4.420 nan 0.000 0.278 932 P C -1.225 175.854 177.300 -0.368 0.000 1.238 932 P CA -0.192 62.716 63.100 -0.320 0.000 0.794 932 P CB 1.695 33.226 31.700 -0.281 0.000 0.955 933 S N -0.230 115.419 115.700 -0.085 0.000 2.683 933 S HA 0.379 4.849 4.470 0.000 0.000 0.269 933 S C -0.837 173.780 174.600 0.028 0.000 1.165 933 S CA -0.913 57.276 58.200 -0.018 0.000 0.840 933 S CB 0.227 63.457 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.303 121.524 120.200 0.034 0.000 2.652 934 E HA 0.322 4.672 4.350 0.000 0.000 0.255 934 E C -0.085 176.572 176.600 0.096 0.000 0.952 934 E CA 1.094 57.532 56.400 0.063 0.000 0.947 934 E CB -0.494 29.262 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.588 120.376 118.700 0.148 0.000 3.106 935 N HA 0.523 5.263 4.740 0.000 0.000 0.253 935 N C 0.385 175.960 175.510 0.108 0.000 1.506 935 N CA -0.659 52.520 53.050 0.215 0.000 0.876 935 N CB 0.591 39.206 38.487 0.212 0.000 1.452 935 N HN 0.647 nan 8.380 nan 0.000 0.542 936 G N -1.366 107.458 108.800 0.040 0.000 2.189 936 G HA2 -0.290 3.670 3.960 0.000 0.000 0.267 936 G HA3 -0.290 3.670 3.960 0.000 0.000 0.267 936 G C -0.108 174.559 174.900 -0.389 0.000 0.975 936 G CA 0.559 45.569 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.206 122.136 121.223 -0.488 0.000 2.529 937 L HA 0.436 4.776 4.340 0.000 0.000 0.287 937 L C 0.832 177.138 176.870 -0.939 0.000 1.241 937 L CA 0.526 54.833 54.840 -0.888 0.000 0.857 937 L CB 0.366 41.587 42.059 -1.395 0.000 1.113 937 L HN 0.352 nan 8.230 nan 0.000 0.504 938 R N 3.879 123.734 120.500 -1.076 0.000 2.575 938 R HA 0.488 4.829 4.340 0.000 0.000 0.293 938 R C -1.155 174.767 176.300 -0.631 0.000 0.983 938 R CA -0.685 54.898 56.100 -0.861 0.000 0.887 938 R CB 0.776 30.539 30.300 -0.896 0.000 1.184 938 R HN 0.569 nan 8.270 nan 0.000 0.445 939 C N -0.226 118.855 119.300 -0.364 0.000 2.354 939 C HA 0.687 5.147 4.460 0.000 0.000 0.381 939 C C 1.314 176.272 174.990 -0.054 0.000 1.240 939 C CA 0.224 59.118 59.018 -0.207 0.000 2.089 939 C CB 1.099 28.744 27.740 -0.158 0.000 2.234 939 C HN 1.065 nan 8.230 nan 0.000 0.544 940 G N 2.013 110.793 108.800 -0.033 0.000 2.366 940 G HA2 -0.169 3.791 3.960 0.000 0.000 0.299 940 G HA3 -0.169 3.791 3.960 0.000 0.000 0.299 940 G C -0.133 174.822 174.900 0.091 0.000 1.020 940 G CA 0.483 45.612 45.100 0.048 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.295 114.181 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 0.000 0.000 0.282 941 T C 1.430 175.807 174.700 -0.539 0.000 0.990 941 T CA -0.603 61.363 62.100 -0.222 0.000 1.028 941 T CB 1.543 70.251 68.868 -0.267 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.156 121.565 120.500 -0.151 0.000 2.316 942 R HA 0.267 4.607 4.340 0.000 0.000 0.201 942 R C 0.438 176.797 176.300 0.099 0.000 0.888 942 R CA 0.144 56.226 56.100 -0.029 0.000 1.041 942 R CB 0.910 31.314 30.300 0.173 0.000 1.115 942 R HN 0.614 nan 8.270 nan 0.000 0.559 943 E N 1.017 121.292 120.200 0.125 0.000 2.321 943 E HA 0.282 4.632 4.350 0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.281 0.000 0.910 943 E CA -0.592 55.958 56.400 0.249 0.000 0.770 943 E CB 1.797 31.607 29.700 0.183 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.067 125.510 121.223 0.367 0.000 2.410 944 L HA 0.608 4.948 4.340 0.000 0.000 0.270 944 L C -1.925 175.180 176.870 0.391 0.000 0.983 944 L CA -0.414 54.593 54.840 0.279 0.000 0.822 944 L CB 1.876 43.942 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.265 123.159 118.700 0.325 0.000 2.399 945 N HA 0.424 5.164 4.740 0.000 0.000 0.284 945 N C -2.036 173.725 175.510 0.419 0.000 1.025 945 N CA -0.206 53.039 53.050 0.325 0.000 0.885 945 N CB 2.023 40.639 38.487 0.214 0.000 1.339 945 N HN 0.619 nan 8.380 nan 0.000 0.487 946 Y N 1.389 121.860 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 0.000 0.000 0.322 946 Y C 0.563 176.602 175.900 0.232 0.000 1.133 946 Y CA 0.177 58.429 58.100 0.253 0.000 1.093 946 Y CB 0.600 39.240 38.460 0.299 0.000 1.203 946 Y HN 0.825 nan 8.280 nan 0.000 0.427 947 G N 6.337 115.048 108.800 -0.148 0.000 2.527 947 G HA2 -0.279 3.681 3.960 0.000 0.000 0.268 947 G HA3 -0.279 3.681 3.960 0.000 0.000 0.268 947 G C -1.884 172.955 174.900 -0.101 0.000 1.175 947 G CA -0.031 44.960 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.144 nan 4.420 nan 0.000 0.241 948 P C 0.457 177.513 177.300 -0.408 0.000 1.191 948 P CA 0.966 63.887 63.100 -0.298 0.000 0.771 948 P CB -0.057 31.388 31.700 -0.424 0.000 0.929 949 H N -0.272 118.750 119.070 -0.080 0.000 2.505 949 H HA 0.527 5.083 4.556 0.000 0.000 0.351 949 H C 0.315 175.422 175.328 -0.368 0.000 1.151 949 H CA -0.124 55.761 56.048 -0.272 0.000 1.339 949 H CB 0.828 30.242 29.762 -0.581 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.159 121.706 119.800 -0.422 0.000 2.284 950 Q HA 0.258 4.598 4.340 0.000 0.000 0.269 950 Q C -1.954 173.804 176.000 -0.403 0.000 1.026 950 Q CA -0.753 54.901 55.803 -0.248 0.000 0.831 950 Q CB 1.754 30.483 28.738 -0.015 0.000 1.322 950 Q HN 0.625 nan 8.270 nan 0.000 0.419 951 W N 3.672 124.977 121.300 0.009 0.000 2.819 951 W HA 0.621 5.281 4.660 -0.000 0.000 0.337 951 W C -0.559 176.059 176.519 0.164 0.000 1.077 951 W CA -0.799 56.518 57.345 -0.045 0.000 1.226 951 W CB 2.202 31.448 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.975 121.733 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 0.000 0.000 0.277 952 R C 0.079 176.665 176.300 0.475 0.000 0.987 952 R CA -0.685 55.682 56.100 0.446 0.000 0.901 952 R CB 2.298 32.770 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.629 109.743 108.800 0.524 0.000 2.534 953 G HA2 0.041 4.001 3.960 0.000 0.000 0.142 953 G HA3 0.041 4.001 3.960 0.000 0.000 0.142 953 G C -1.703 173.379 174.900 0.304 0.000 1.178 953 G CA -0.398 44.964 45.100 0.436 0.000 1.037 953 G HN 0.512 nan 8.290 nan 0.000 0.474 954 D N 0.486 121.087 120.400 0.335 0.000 2.330 954 D HA 0.586 5.226 4.640 0.000 0.000 0.249 954 D C -0.892 175.452 176.300 0.074 0.000 1.306 954 D CA -0.263 53.781 54.000 0.075 0.000 0.956 954 D CB 0.681 41.530 40.800 0.081 0.000 1.261 954 D HN 0.440 nan 8.370 nan 0.000 0.544 955 F N 0.020 119.968 119.950 -0.003 0.000 2.950 955 F HA 0.619 5.146 4.527 0.000 0.000 0.327 955 F C -1.084 174.683 175.800 -0.055 0.000 1.197 955 F CA -1.012 56.926 58.000 -0.103 0.000 0.954 955 F CB 0.707 39.633 39.000 -0.124 0.000 1.442 955 F HN -0.154 nan 8.300 nan 0.000 0.509 956 Q N 1.351 121.236 119.800 0.141 0.000 2.413 956 Q HA 0.677 5.017 4.340 0.000 0.000 0.276 956 Q C -1.409 174.679 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.004 0.000 0.814 956 Q CB 2.916 31.523 28.738 -0.219 0.000 1.379 956 Q HN 0.923 nan 8.270 nan 0.000 0.436 957 F N -1.147 118.683 119.950 -0.200 0.000 2.779 957 F HA 0.781 5.308 4.527 0.000 0.000 0.316 957 F C -1.804 173.788 175.800 -0.347 0.000 1.164 957 F CA -1.007 56.842 58.000 -0.252 0.000 0.924 957 F CB 1.520 40.390 39.000 -0.215 0.000 1.348 957 F HN 0.629 nan 8.300 nan 0.000 0.467 958 N N 1.064 119.634 118.700 -0.216 0.000 2.494 958 N HA 0.723 5.463 4.740 0.000 0.000 0.270 958 N C -2.165 173.329 175.510 -0.026 0.000 1.285 958 N CA -0.704 52.184 53.050 -0.271 0.000 0.812 958 N CB 2.496 40.813 38.487 -0.283 0.000 1.557 958 N HN 1.156 nan 8.380 nan 0.000 0.487 959 I N 0.251 120.787 120.570 -0.057 0.000 2.685 959 I HA 0.628 4.798 4.170 0.000 0.000 0.289 959 I C -1.379 174.696 176.117 -0.070 0.000 1.292 959 I CA 0.089 61.335 61.300 -0.090 0.000 1.050 959 I CB 1.340 39.228 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.424 122.099 115.700 -0.042 0.000 2.714 960 S HA 0.532 5.002 4.470 0.000 0.000 0.280 960 S C -0.438 174.106 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.225 58.200 -0.044 0.000 0.900 960 S CB 1.601 64.845 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.036 120.307 120.500 -0.381 0.000 2.466 961 R HA 0.301 4.641 4.340 0.000 0.000 0.279 961 R C -1.072 174.880 176.300 -0.579 0.000 0.976 961 R CA 0.165 55.969 56.100 -0.494 0.000 1.081 961 R CB -0.626 29.225 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.158 120.461 120.300 0.005 0.000 2.391 962 Y HA 0.237 4.787 4.550 0.000 0.000 0.341 962 Y C 0.737 176.404 175.900 -0.390 0.000 0.965 962 Y CA -1.178 56.833 58.100 -0.149 0.000 1.067 962 Y CB 1.499 39.814 38.460 -0.241 0.000 1.199 962 Y HN -0.082 nan 8.280 nan 0.000 0.450 963 S N 1.606 117.000 115.700 -0.509 0.000 2.593 963 S HA 0.066 4.536 4.470 0.000 0.000 0.269 963 S C 0.850 175.147 174.600 -0.505 0.000 1.334 963 S CA -0.657 56.902 58.200 -1.069 0.000 1.015 963 S CB 1.145 63.762 63.200 -0.972 0.000 0.912 963 S HN 0.767 nan 8.310 nan 0.000 0.541 964 Q N 0.570 120.068 119.800 -0.503 0.000 2.124 964 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 964 Q C 2.177 178.058 176.000 -0.198 0.000 0.977 964 Q CA 1.638 57.285 55.803 -0.259 0.000 0.850 964 Q CB -0.439 28.182 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.718 120.376 119.800 -0.236 0.000 2.084 965 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 965 Q C 2.063 177.986 176.000 -0.127 0.000 0.978 965 Q CA 1.300 57.016 55.803 -0.146 0.000 0.844 965 Q CB 0.036 28.706 28.738 -0.114 0.000 0.898 965 Q HN 0.415 nan 8.270 nan 0.000 0.426 966 Q N 0.111 119.820 119.800 -0.151 0.000 2.030 966 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 966 Q C 2.359 178.273 176.000 -0.144 0.000 0.986 966 Q CA 1.488 57.218 55.803 -0.121 0.000 0.843 966 Q CB -0.132 28.530 28.738 -0.126 0.000 0.904 966 Q HN 0.459 nan 8.270 nan 0.000 0.420 967 L N 0.083 121.209 121.223 -0.162 0.000 2.042 967 L HA -0.239 4.101 4.340 0.000 0.000 0.210 967 L C 2.708 179.471 176.870 -0.178 0.000 1.076 967 L CA 1.339 56.072 54.840 -0.178 0.000 0.749 967 L CB -0.412 41.568 42.059 -0.133 0.000 0.893 967 L HN 0.415 nan 8.230 nan 0.000 0.432 968 M N -0.461 119.059 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 0.000 0.000 0.265 968 M C 1.681 177.916 176.300 -0.108 0.000 1.064 968 M CA 1.680 56.913 55.300 -0.110 0.000 1.109 968 M CB 0.091 32.632 32.600 -0.098 0.000 1.396 968 M HN 0.199 nan 8.290 nan 0.000 0.430 969 E N -0.766 119.373 120.200 -0.102 0.000 2.447 969 E HA 0.053 4.403 4.350 0.000 0.000 0.195 969 E C -0.220 176.337 176.600 -0.070 0.000 1.028 969 E CA 0.153 56.512 56.400 -0.069 0.000 0.876 969 E CB 0.469 30.142 29.700 -0.045 0.000 0.885 969 E HN 0.337 nan 8.360 nan 0.000 0.500 970 T N 0.555 115.037 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 0.000 0.000 0.286 970 T C 1.127 175.725 174.700 -0.171 0.000 0.973 970 T CA -0.359 61.668 62.100 -0.122 0.000 1.035 970 T CB 1.618 70.394 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.871 117.554 115.700 -0.027 0.000 2.501 971 S HA 0.072 4.542 4.470 0.000 0.000 0.220 971 S C 0.274 174.907 174.600 0.054 0.000 0.997 971 S CA 0.251 58.480 58.200 0.049 0.000 0.919 971 S CB -0.197 63.199 63.200 0.327 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.383 119.442 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 0.000 0.000 0.367 972 H C 0.939 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.741 55.376 56.048 0.114 0.000 1.178 972 H CB 1.509 31.411 29.762 0.232 0.000 1.718 972 H HN 0.107 nan 8.280 nan 0.000 0.540 973 R N 1.411 122.049 120.500 0.231 0.000 2.117 973 R HA -0.219 4.121 4.340 0.000 0.000 0.243 973 R C 1.403 177.742 176.300 0.064 0.000 1.143 973 R CA 2.129 58.294 56.100 0.109 0.000 0.968 973 R CB -0.630 29.749 30.300 0.131 0.000 0.863 973 R HN 0.785 nan 8.270 nan 0.000 0.444 974 H N 1.593 120.677 119.070 0.023 0.000 2.489 974 H HA -0.020 4.536 4.556 0.000 0.000 0.293 974 H C 1.621 176.882 175.328 -0.111 0.000 1.066 974 H CA 1.155 57.169 56.048 -0.058 0.000 1.305 974 H CB -0.282 29.424 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.848 121.678 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 0.000 0.000 0.230 975 L C 0.525 177.304 176.870 -0.152 0.000 1.141 975 L CA -0.078 54.500 54.840 -0.437 0.000 0.877 975 L CB -0.115 41.686 42.059 -0.430 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.339 121.467 121.223 -0.159 0.000 2.399 976 L HA 0.324 4.664 4.340 0.000 0.000 0.266 976 L C 0.109 176.999 176.870 0.033 0.000 1.114 976 L CA -0.460 54.283 54.840 -0.162 0.000 0.804 976 L CB 0.687 42.458 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.585 119.740 119.070 0.141 0.000 2.806 977 H HA 0.640 5.196 4.556 0.000 0.000 0.367 977 H C -0.848 174.583 175.328 0.173 0.000 1.136 977 H CA -1.227 54.908 56.048 0.145 0.000 1.178 977 H CB 1.302 31.087 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.839 125.692 122.820 0.055 0.000 2.531 978 A HA 0.095 4.415 4.320 0.000 0.000 0.236 978 A C 0.368 177.921 177.584 -0.052 0.000 1.062 978 A CA -0.071 51.821 52.037 -0.241 0.000 0.760 978 A CB -0.009 18.859 19.000 -0.219 0.000 0.995 978 A HN 0.815 nan 8.150 nan 0.000 0.501 979 E N 0.499 120.623 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 0.000 0.000 0.258 979 E C 0.709 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.699 55.728 56.400 0.044 0.000 0.929 979 E CB 0.659 30.481 29.700 0.204 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.278 120.471 120.200 -0.012 0.000 2.065 980 E HA -0.218 4.132 4.350 0.000 0.000 0.201 980 E C 0.923 177.454 176.600 -0.114 0.000 1.016 980 E CA 1.768 58.130 56.400 -0.063 0.000 0.818 980 E CB 0.016 29.683 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.409 107.272 108.800 -0.198 0.000 3.387 981 G HA2 0.249 4.209 3.960 0.000 0.000 0.194 981 G HA3 0.249 4.209 3.960 0.000 0.000 0.194 981 G C -0.642 174.154 174.900 -0.174 0.000 1.417 981 G CA -0.072 44.923 45.100 -0.175 0.000 0.777 981 G HN 0.120 nan 8.290 nan 0.000 0.721 982 T N 0.410 114.851 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 0.000 0.000 0.285 982 T C -1.584 172.969 174.700 -0.246 0.000 0.991 982 T CA -0.121 61.899 62.100 -0.134 0.000 0.966 982 T CB 1.653 70.547 68.868 0.043 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.001 124.214 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 -0.000 0.000 0.311 983 W C -0.413 175.989 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.517 57.345 -0.146 0.000 1.200 983 W CB 0.916 30.301 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.495 126.782 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 0.000 0.000 0.274 984 L C -1.070 175.734 176.870 -0.110 0.000 0.988 984 L CA -0.532 54.238 54.840 -0.117 0.000 0.824 984 L CB 1.018 42.877 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.913 125.530 118.700 -0.139 0.000 2.443 985 N HA 0.498 5.238 4.740 0.000 0.000 0.269 985 N C -1.213 174.181 175.510 -0.193 0.000 0.985 985 N CA -0.294 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.310 40.726 38.487 -0.118 0.000 1.195 985 N HN 0.502 nan 8.380 nan 0.000 0.492 986 I N 1.687 122.098 120.570 -0.265 0.000 2.382 986 I HA 0.261 4.431 4.170 0.000 0.000 0.285 986 I C -0.657 175.297 176.117 -0.271 0.000 1.007 986 I CA -0.615 60.499 61.300 -0.309 0.000 1.142 986 I CB 1.606 39.286 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.603 124.874 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 0.000 0.000 0.243 987 D C 1.021 177.052 176.300 -0.448 0.000 1.054 987 D CA -0.192 53.629 54.000 -0.298 0.000 0.838 987 D CB 2.553 43.270 40.800 -0.138 0.000 1.162 987 D HN 0.709 nan 8.370 nan 0.000 0.472 988 G N 1.248 109.508 108.800 -0.901 0.000 2.430 988 G HA2 0.036 3.996 3.960 0.000 0.000 0.216 988 G HA3 0.036 3.996 3.960 0.000 0.000 0.216 988 G C 0.063 174.104 174.900 -1.433 0.000 1.146 988 G CA 0.490 44.776 45.100 -1.357 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.811 117.932 119.950 -0.345 0.000 2.654 989 F HA 0.544 5.071 4.527 0.000 0.000 0.308 989 F C -0.695 175.008 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.665 58.000 -0.199 0.000 0.957 989 F CB 1.977 40.800 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.542 121.629 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 0.000 0.000 0.361 990 H C -1.125 174.227 175.328 0.041 0.000 1.122 990 H CA -0.746 55.289 56.048 -0.022 0.000 1.217 990 H CB 2.395 32.124 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.761 122.324 119.600 -0.063 0.000 2.250 991 M HA 0.249 4.729 4.480 0.000 0.000 0.325 991 M C 0.556 176.976 176.300 0.201 0.000 1.084 991 M CA 0.480 55.807 55.300 0.044 0.000 1.161 991 M CB 0.354 32.875 32.600 -0.131 0.000 1.481 991 M HN 0.728 nan 8.290 nan 0.000 0.449 992 G N 2.894 111.787 108.800 0.154 0.000 2.684 992 G HA2 0.325 4.285 3.960 0.000 0.000 0.255 992 G HA3 0.325 4.285 3.960 0.000 0.000 0.255 992 G C 0.549 175.427 174.900 -0.036 0.000 1.219 992 G CA -0.285 44.833 45.100 0.030 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.470 118.027 120.570 -0.122 0.000 3.939 993 I HA 0.443 4.613 4.170 0.000 0.000 0.313 993 I C 1.137 177.182 176.117 -0.119 0.000 1.274 993 I CA 0.503 61.704 61.300 -0.165 0.000 1.301 993 I CB -0.361 37.452 38.000 -0.312 0.000 1.105 993 I HN 0.963 nan 8.210 nan 0.000 0.427 994 G N 1.672 110.418 108.800 -0.090 0.000 2.645 994 G HA2 0.038 3.998 3.960 0.000 0.000 0.239 994 G HA3 0.038 3.998 3.960 0.000 0.000 0.239 994 G C 0.571 175.457 174.900 -0.022 0.000 1.331 994 G CA 0.124 45.208 45.100 -0.026 0.000 0.890 994 G HN 1.412 nan 8.290 nan 0.000 0.572 995 G N -2.288 106.511 108.800 -0.001 0.000 2.559 995 G HA2 0.045 4.005 3.960 0.000 0.000 0.202 995 G HA3 0.045 4.005 3.960 0.000 0.000 0.202 995 G C 0.586 175.515 174.900 0.048 0.000 0.992 995 G CA 0.917 46.022 45.100 0.008 0.000 0.764 995 G HN 0.969 nan 8.290 nan 0.000 0.525 996 D N 1.224 121.665 120.400 0.070 0.000 2.228 996 D HA 0.131 4.771 4.640 0.000 0.000 0.203 996 D C 0.948 177.241 176.300 -0.012 0.000 0.988 996 D CA 2.111 56.207 54.000 0.160 0.000 0.864 996 D CB 0.129 41.040 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.799 116.381 120.400 -0.366 0.000 2.694 997 D HA 0.266 4.906 4.640 0.000 0.000 0.260 997 D C -0.873 174.841 176.300 -0.976 0.000 1.250 997 D CA -0.733 52.584 54.000 -1.138 0.000 0.763 997 D CB 0.763 40.442 40.800 -1.868 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.145 114.763 115.700 -1.319 0.000 2.588 998 S HA 0.255 4.725 4.470 0.000 0.000 0.245 998 S C -0.624 174.039 174.600 0.106 0.000 1.021 998 S CA -0.716 57.341 58.200 -0.239 0.000 1.006 998 S CB -0.617 62.752 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.117 122.349 121.300 -0.113 0.000 1.832 999 W HA 0.597 5.257 4.660 0.000 0.000 0.297 999 W C -0.060 176.398 176.519 -0.102 0.000 0.891 999 W CA -0.704 56.569 57.345 -0.120 0.000 2.000 999 W CB -0.578 28.769 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.291 114.309 115.700 -0.167 0.000 2.595 1000 S HA 0.582 5.052 4.470 0.000 0.000 0.270 1000 S C -3.255 171.275 174.600 -0.117 0.000 1.145 1000 S CA -1.479 56.641 58.200 -0.134 0.000 0.825 1000 S CB 1.511 64.633 63.200 -0.129 0.000 1.107 1000 S HN -0.195 nan 8.310 nan 0.000 0.461 1001 P HA 0.270 nan 4.420 nan 0.000 0.270 1001 P C 0.261 177.591 177.300 0.050 0.000 1.242 1001 P CA -0.109 62.997 63.100 0.010 0.000 0.768 1001 P CB 0.700 32.300 31.700 -0.167 0.000 0.820 1002 S N 1.062 116.824 115.700 0.102 0.000 2.846 1002 S HA 0.169 4.639 4.470 0.000 0.000 0.249 1002 S C 0.161 174.831 174.600 0.117 0.000 1.028 1002 S CA -0.350 57.886 58.200 0.061 0.000 1.043 1002 S CB -0.261 62.919 63.200 -0.034 0.000 0.990 1002 S HN 0.099 nan 8.310 nan 0.000 0.564 1003 V N 4.147 124.179 119.914 0.197 0.000 2.385 1003 V HA 0.456 4.576 4.120 0.000 0.000 0.269 1003 V C 0.790 177.042 176.094 0.264 0.000 1.043 1003 V CA -0.394 62.025 62.300 0.197 0.000 0.906 1003 V CB 0.761 32.666 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.672 120.557 115.700 0.309 0.000 2.572 1004 S HA 0.330 4.800 4.470 0.000 0.000 0.279 1004 S C 1.507 176.268 174.600 0.267 0.000 1.341 1004 S CA 0.032 58.410 58.200 0.296 0.000 1.043 1004 S CB 1.400 64.741 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.151 125.066 122.820 0.159 0.000 1.958 1005 A HA -0.189 4.131 4.320 0.000 0.000 0.221 1005 A C 1.915 179.508 177.584 0.016 0.000 1.178 1005 A CA 1.969 54.077 52.037 0.117 0.000 0.642 1005 A CB -1.169 17.879 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.214 118.898 120.200 -0.147 0.000 2.409 1006 E HA -0.085 4.265 4.350 0.000 0.000 0.198 1006 E C 0.775 176.996 176.600 -0.632 0.000 1.024 1006 E CA 0.989 57.132 56.400 -0.428 0.000 0.861 1006 E CB -0.311 28.974 29.700 -0.691 0.000 0.788 1006 E HN 0.793 nan 8.360 nan 0.000 0.521 1007 F N 0.869 120.872 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 0.000 0.000 0.305 1007 F C 0.666 176.509 175.800 0.071 0.000 1.090 1007 F CA -0.452 57.599 58.000 0.084 0.000 1.272 1007 F CB 0.371 39.419 39.000 0.080 0.000 1.060 1007 F HN -0.160 nan 8.300 nan 0.000 0.576 1008 Q N 1.188 121.108 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 0.000 0.000 0.245 1008 Q C -0.225 175.819 176.000 0.073 0.000 0.926 1008 Q CA -0.541 55.366 55.803 0.172 0.000 0.895 1008 Q CB 1.830 30.768 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.355 123.593 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 0.000 0.000 0.256 1009 L C 0.611 177.382 176.870 -0.166 0.000 1.202 1009 L CA -0.064 54.749 54.840 -0.045 0.000 1.119 1009 L CB -0.295 41.637 42.059 -0.211 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.065 114.497 115.700 -0.230 0.000 2.539 1010 S HA 0.115 4.585 4.470 0.000 0.000 0.221 1010 S C 1.790 176.293 174.600 -0.161 0.000 0.987 1010 S CA 0.219 58.112 58.200 -0.512 0.000 0.929 1010 S CB 0.682 63.636 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.849 124.621 122.820 -0.081 0.000 2.024 1011 A HA 0.354 4.674 4.320 0.000 0.000 0.220 1011 A C 2.202 179.631 177.584 -0.259 0.000 1.164 1011 A CA 1.627 53.487 52.037 -0.296 0.000 0.643 1011 A CB -1.400 17.147 19.000 -0.755 0.000 0.806 1011 A HN 1.528 nan 8.150 nan 0.000 0.451 1012 G N -1.859 106.878 108.800 -0.104 0.000 2.363 1012 G HA2 -0.281 3.679 3.960 0.000 0.000 0.238 1012 G HA3 -0.281 3.679 3.960 0.000 0.000 0.238 1012 G C 0.423 175.297 174.900 -0.043 0.000 1.062 1012 G CA 0.454 45.549 45.100 -0.009 0.000 0.629 1012 G HN 0.728 nan 8.290 nan 0.000 0.514 1013 R N -0.654 119.654 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 0.000 0.000 0.288 1013 R C -1.626 174.333 176.300 -0.569 0.000 1.004 1013 R CA -0.632 55.333 56.100 -0.224 0.000 0.895 1013 R CB 1.581 31.818 30.300 -0.106 0.000 1.191 1013 R HN 0.214 nan 8.270 nan 0.000 0.444 1014 Y N 0.314 120.611 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 0.000 0.000 0.347 1014 Y C -0.370 175.702 175.900 0.287 0.000 0.981 1014 Y CA -0.899 57.193 58.100 -0.014 0.000 1.033 1014 Y CB 2.170 40.446 38.460 -0.308 0.000 1.245 1014 Y HN 0.591 nan 8.280 nan 0.000 0.455 1015 H N 2.599 121.969 119.070 0.500 0.000 2.771 1015 H HA 0.643 5.199 4.556 0.000 0.000 0.361 1015 H C -1.743 173.955 175.328 0.618 0.000 1.108 1015 H CA -0.981 55.327 56.048 0.434 0.000 1.201 1015 H CB 1.320 31.227 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.277 121.279 120.300 -0.498 0.000 2.656 1016 Y HA 0.527 5.077 4.550 0.000 0.000 0.334 1016 Y C -2.007 173.685 175.900 -0.346 0.000 1.179 1016 Y CA -1.097 56.825 58.100 -0.297 0.000 1.050 1016 Y CB 1.310 39.713 38.460 -0.095 0.000 1.308 1016 Y HN 0.700 nan 8.280 nan 0.000 0.456 1017 Q N 2.767 122.541 119.800 -0.044 0.000 2.416 1017 Q HA 0.805 5.146 4.340 0.000 0.000 0.281 1017 Q C -1.929 174.138 176.000 0.111 0.000 1.067 1017 Q CA -1.124 54.655 55.803 -0.040 0.000 0.809 1017 Q CB 3.650 32.406 28.738 0.031 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.824 122.095 121.223 0.079 0.000 2.465 1018 L HA 0.695 5.035 4.340 0.000 0.000 0.257 1018 L C -1.514 175.463 176.870 0.178 0.000 0.988 1018 L CA -1.131 53.793 54.840 0.140 0.000 0.827 1018 L CB 2.809 44.925 42.059 0.094 0.000 1.397 1018 L HN 0.475 nan 8.230 nan 0.000 0.410 1019 V N 1.427 121.481 119.914 0.233 0.000 2.531 1019 V HA 0.483 4.603 4.120 0.000 0.000 0.301 1019 V C -1.039 175.250 176.094 0.326 0.000 1.034 1019 V CA -0.451 62.003 62.300 0.257 0.000 0.865 1019 V CB 2.135 34.081 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.106 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543