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 1jz8_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCQYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.093 176.300 -0.345 0.000 0.893 13 R CA 0.000 55.971 56.100 -0.215 0.000 0.921 13 R CB 0.000 30.174 30.300 -0.210 0.000 0.687 14 R N 1.785 121.963 120.500 -0.537 0.000 3.158 14 R HA -0.167 4.187 4.340 0.025 0.000 0.244 14 R C -0.282 175.487 176.300 -0.885 0.000 0.900 14 R CA 0.875 56.247 56.100 -1.214 0.000 0.618 14 R CB -1.351 28.356 30.300 -0.988 0.000 1.061 14 R HN 0.238 nan 8.270 nan 0.000 0.471 15 D N 0.011 120.082 120.400 -0.549 0.000 2.310 15 D HA -0.153 4.502 4.640 0.025 0.000 0.212 15 D C 1.612 177.806 176.300 -0.176 0.000 0.965 15 D CA 1.529 55.289 54.000 -0.401 0.000 0.879 15 D CB -0.096 40.291 40.800 -0.688 0.000 0.921 15 D HN 0.738 nan 8.370 nan 0.000 0.510 16 W N 1.254 122.552 121.300 -0.003 0.000 3.292 16 W HA 0.222 4.897 4.660 0.025 0.000 0.263 16 W C 0.301 176.908 176.519 0.147 0.000 1.318 16 W CA -0.317 57.139 57.345 0.184 0.000 1.663 16 W CB -0.235 29.390 29.460 0.275 0.000 1.114 16 W HN -0.208 nan 8.180 nan 0.000 0.706 17 E N 1.431 121.489 120.200 -0.237 0.000 3.646 17 E HA 0.066 4.431 4.350 0.025 0.000 0.211 17 E C -0.795 175.644 176.600 -0.269 0.000 1.034 17 E CA -0.236 56.052 56.400 -0.188 0.000 1.341 17 E CB -0.183 29.384 29.700 -0.222 0.000 1.202 17 E HN 0.030 nan 8.360 nan 0.000 0.447 18 N N 1.117 119.700 118.700 -0.195 0.000 2.699 18 N HA 0.121 4.876 4.740 0.025 0.000 0.271 18 N C -2.423 172.943 175.510 -0.241 0.000 1.216 18 N CA -1.809 51.092 53.050 -0.250 0.000 0.844 18 N CB 1.486 39.838 38.487 -0.226 0.000 1.462 18 N HN -0.147 nan 8.380 nan 0.000 0.555 19 P HA 0.087 nan 4.420 nan 0.000 0.234 19 P C 1.082 178.152 177.300 -0.384 0.000 1.167 19 P CA 0.531 63.312 63.100 -0.531 0.000 0.763 19 P CB 0.118 31.014 31.700 -1.340 0.000 0.835 20 G N -0.378 108.238 108.800 -0.307 0.000 2.650 20 G HA2 0.041 4.016 3.960 0.025 0.000 0.214 20 G HA3 0.041 4.016 3.960 0.025 0.000 0.214 20 G C 0.315 175.135 174.900 -0.132 0.000 1.136 20 G CA 0.194 45.164 45.100 -0.216 0.000 0.789 20 G HN 0.219 nan 8.290 nan 0.000 0.536 21 V N 1.637 121.490 119.914 -0.102 0.000 2.325 21 V HA 0.287 4.422 4.120 0.025 0.000 0.280 21 V C 0.792 176.941 176.094 0.091 0.000 1.016 21 V CA 0.099 62.390 62.300 -0.016 0.000 0.818 21 V CB 1.233 33.023 31.823 -0.055 0.000 1.019 21 V HN 0.322 nan 8.190 nan 0.000 0.434 22 T N 0.620 115.226 114.554 0.086 0.000 3.054 22 T HA 0.393 4.758 4.350 0.025 0.000 0.255 22 T C 0.213 174.975 174.700 0.104 0.000 1.035 22 T CA 0.020 62.184 62.100 0.106 0.000 0.941 22 T CB 0.265 69.144 68.868 0.019 0.000 1.026 22 T HN 0.694 nan 8.240 nan 0.000 0.533 23 Q N 0.144 120.051 119.800 0.178 0.000 2.848 23 Q HA 0.663 5.018 4.340 0.025 0.000 0.288 23 Q C -2.284 173.857 176.000 0.234 0.000 0.907 23 Q CA -1.036 54.862 55.803 0.158 0.000 0.792 23 Q CB 0.741 29.486 28.738 0.012 0.000 1.534 23 Q HN 0.216 nan 8.270 nan 0.000 0.419 24 L N 1.606 122.993 121.223 0.274 0.000 2.464 24 L HA 0.616 4.971 4.340 0.025 0.000 0.266 24 L C -0.554 176.442 176.870 0.210 0.000 0.965 24 L CA -0.902 54.096 54.840 0.263 0.000 0.833 24 L CB 1.984 44.308 42.059 0.443 0.000 1.296 24 L HN 0.854 nan 8.230 nan 0.000 0.405 25 N N 0.763 119.556 118.700 0.155 0.000 2.753 25 N HA -0.212 4.543 4.740 0.025 0.000 0.251 25 N C 0.196 175.803 175.510 0.161 0.000 1.097 25 N CA 0.871 54.003 53.050 0.136 0.000 0.786 25 N CB -0.808 37.705 38.487 0.043 0.000 1.137 25 N HN 0.656 nan 8.380 nan 0.000 0.566 26 R N 0.980 121.496 120.500 0.026 0.000 2.490 26 R HA 0.379 4.733 4.340 0.025 0.000 0.280 26 R C 0.486 176.657 176.300 -0.215 0.000 1.077 26 R CA -0.311 55.578 56.100 -0.352 0.000 1.065 26 R CB 0.526 30.606 30.300 -0.367 0.000 1.003 26 R HN 0.124 nan 8.270 nan 0.000 0.470 27 L N 2.921 123.991 121.223 -0.255 0.000 2.466 27 L HA 0.326 4.681 4.340 0.025 0.000 0.257 27 L C 0.653 177.476 176.870 -0.078 0.000 1.189 27 L CA -0.617 54.163 54.840 -0.100 0.000 0.813 27 L CB 0.898 42.925 42.059 -0.053 0.000 1.118 27 L HN 0.783 nan 8.230 nan 0.000 0.471 28 A N 1.255 124.069 122.820 -0.011 0.000 2.507 28 A HA 0.462 4.797 4.320 0.025 0.000 0.235 28 A C 0.270 177.867 177.584 0.023 0.000 1.070 28 A CA 0.070 52.110 52.037 0.005 0.000 0.768 28 A CB 0.120 19.148 19.000 0.046 0.000 1.011 28 A HN 0.784 nan 8.150 nan 0.000 0.502 29 A N 1.292 124.079 122.820 -0.056 0.000 2.304 29 A HA 0.707 5.042 4.320 0.025 0.000 0.271 29 A C 0.068 177.573 177.584 -0.132 0.000 1.091 29 A CA 0.407 52.337 52.037 -0.178 0.000 0.812 29 A CB 0.010 18.897 19.000 -0.188 0.000 1.056 29 A HN 1.904 nan 8.150 nan 0.000 0.489 30 H N -2.262 116.663 119.070 -0.243 0.000 2.917 30 H HA 0.634 5.205 4.556 0.025 0.000 0.299 30 H C -3.415 171.636 175.328 -0.461 0.000 1.418 30 H CA -1.786 54.059 56.048 -0.338 0.000 1.138 30 H CB 0.079 29.544 29.762 -0.496 0.000 1.830 30 H HN 0.379 nan 8.280 nan 0.000 0.514 31 P HA 0.230 nan 4.420 nan 0.000 0.274 31 P C -2.597 174.528 177.300 -0.291 0.000 1.256 31 P CA -1.447 61.447 63.100 -0.342 0.000 0.795 31 P CB -0.193 31.234 31.700 -0.455 0.000 1.038 32 P HA 0.066 nan 4.420 nan 0.000 0.264 32 P C -0.873 176.606 177.300 0.299 0.000 1.193 32 P CA 1.022 64.152 63.100 0.049 0.000 0.763 32 P CB -0.059 31.717 31.700 0.128 0.000 0.810 33 F N 1.587 121.644 119.950 0.179 0.000 2.579 33 F HA 0.645 5.187 4.527 0.025 0.000 0.324 33 F C 0.889 176.625 175.800 -0.106 0.000 1.058 33 F CA -1.474 56.574 58.000 0.080 0.000 0.944 33 F CB 1.367 40.368 39.000 0.002 0.000 1.245 33 F HN 0.294 nan 8.300 nan 0.000 0.477 34 A N -0.069 122.686 122.820 -0.108 0.000 2.664 34 A HA 0.330 4.665 4.320 0.025 0.000 0.222 34 A C 0.632 177.906 177.584 -0.517 0.000 1.320 34 A CA 0.599 52.311 52.037 -0.541 0.000 1.029 34 A CB -0.309 17.865 19.000 -1.377 0.000 1.318 34 A HN 0.841 nan 8.150 nan 0.000 0.589 35 S N 0.610 116.132 115.700 -0.298 0.000 3.447 35 S HA -0.151 4.334 4.470 0.025 0.000 0.371 35 S C 0.051 174.576 174.600 -0.124 0.000 0.951 35 S CA 0.443 58.527 58.200 -0.193 0.000 1.269 35 S CB -1.519 61.570 63.200 -0.185 0.000 0.919 35 S HN 0.467 nan 8.310 nan 0.000 0.516 36 W N 1.602 122.886 121.300 -0.026 0.000 2.137 36 W HA 0.237 4.912 4.660 0.024 0.000 0.344 36 W C 1.332 177.830 176.519 -0.036 0.000 1.286 36 W CA -0.510 56.823 57.345 -0.020 0.000 1.240 36 W CB 0.222 29.671 29.460 -0.018 0.000 1.141 36 W HN 0.320 nan 8.180 nan 0.000 0.579 37 R N 1.978 122.605 120.500 0.211 0.000 2.613 37 R HA 0.106 4.461 4.340 0.025 0.000 0.361 37 R C -0.172 176.181 176.300 0.088 0.000 1.072 37 R CA -0.169 55.995 56.100 0.106 0.000 1.089 37 R CB -0.200 30.131 30.300 0.052 0.000 1.343 37 R HN 0.372 nan 8.270 nan 0.000 0.571 38 N N -0.052 118.712 118.700 0.107 0.000 2.478 38 N HA 0.100 4.855 4.740 0.025 0.000 0.291 38 N C -0.173 175.305 175.510 -0.054 0.000 1.090 38 N CA -0.014 53.049 53.050 0.021 0.000 0.911 38 N CB 1.837 40.335 38.487 0.019 0.000 1.546 38 N HN -0.235 nan 8.380 nan 0.000 0.500 39 S N 2.229 117.876 115.700 -0.087 0.000 2.423 39 S HA -0.138 4.347 4.470 0.025 0.000 0.231 39 S C 1.391 175.822 174.600 -0.282 0.000 1.014 39 S CA 0.933 59.039 58.200 -0.156 0.000 0.965 39 S CB 0.054 63.191 63.200 -0.106 0.000 0.785 39 S HN 0.744 nan 8.310 nan 0.000 0.495 40 E N 1.771 121.817 120.200 -0.256 0.000 2.152 40 E HA -0.110 4.255 4.350 0.025 0.000 0.192 40 E C 1.860 178.232 176.600 -0.380 0.000 0.983 40 E CA 1.012 57.216 56.400 -0.327 0.000 0.818 40 E CB -0.136 29.426 29.700 -0.229 0.000 0.758 40 E HN 0.303 nan 8.360 nan 0.000 0.467 41 E N 0.158 120.144 120.200 -0.357 0.000 2.106 41 E HA -0.133 4.232 4.350 0.025 0.000 0.192 41 E C 1.988 177.956 176.600 -1.053 0.000 0.984 41 E CA 1.087 57.221 56.400 -0.443 0.000 0.806 41 E CB -0.378 29.198 29.700 -0.207 0.000 0.750 41 E HN 0.386 nan 8.360 nan 0.000 0.458 42 A N 1.593 123.613 122.820 -1.332 0.000 1.930 42 A HA -0.182 4.153 4.320 0.025 0.000 0.217 42 A C 2.217 179.213 177.584 -0.981 0.000 1.175 42 A CA 1.510 52.448 52.037 -1.831 0.000 0.627 42 A CB -0.481 17.989 19.000 -0.882 0.000 0.815 42 A HN 0.109 nan 8.150 nan 0.000 0.443 43 R N -0.150 119.957 120.500 -0.656 0.000 2.081 43 R HA -0.136 4.219 4.340 0.025 0.000 0.235 43 R C 1.927 177.975 176.300 -0.419 0.000 1.131 43 R CA 2.070 57.849 56.100 -0.535 0.000 0.960 43 R CB -0.434 29.428 30.300 -0.730 0.000 0.856 43 R HN 0.626 nan 8.270 nan 0.000 0.436 44 T N -2.671 111.641 114.554 -0.403 0.000 3.129 44 T HA 0.042 4.407 4.350 0.025 0.000 0.251 44 T C 0.258 174.864 174.700 -0.157 0.000 1.117 44 T CA 0.483 62.438 62.100 -0.242 0.000 1.034 44 T CB 0.068 68.817 68.868 -0.199 0.000 0.968 44 T HN 0.342 nan 8.240 nan 0.000 0.526 45 D N 0.898 121.160 120.400 -0.230 0.000 2.870 45 D HA -0.160 4.495 4.640 0.025 0.000 0.228 45 D C -0.030 176.396 176.300 0.210 0.000 1.147 45 D CA 0.441 54.464 54.000 0.039 0.000 0.757 45 D CB -1.140 39.725 40.800 0.109 0.000 1.091 45 D HN 0.592 nan 8.370 nan 0.000 0.429 46 R N 0.096 120.684 120.500 0.147 0.000 2.560 46 R HA 0.482 4.837 4.340 0.025 0.000 0.270 46 R C -2.133 174.437 176.300 0.450 0.000 1.074 46 R CA -1.439 54.801 56.100 0.234 0.000 1.140 46 R CB 0.339 30.710 30.300 0.118 0.000 1.073 46 R HN 0.063 nan 8.270 nan 0.000 0.527 47 P HA -0.044 nan 4.420 nan 0.000 0.266 47 P C -0.776 176.673 177.300 0.249 0.000 1.195 47 P CA 0.226 63.465 63.100 0.231 0.000 0.768 47 P CB 0.836 32.623 31.700 0.146 0.000 0.838 48 S N 1.873 117.621 115.700 0.082 0.000 2.475 48 S HA 0.125 4.610 4.470 0.025 0.000 0.298 48 S C 1.016 175.633 174.600 0.028 0.000 1.119 48 S CA -0.558 57.627 58.200 -0.024 0.000 1.085 48 S CB 0.529 63.390 63.200 -0.564 0.000 1.028 48 S HN 0.244 nan 8.310 nan 0.000 0.489 49 Q N 2.519 122.368 119.800 0.082 0.000 2.364 49 Q HA -0.038 4.317 4.340 0.025 0.000 0.207 49 Q C 0.764 176.868 176.000 0.174 0.000 0.970 49 Q CA 1.117 56.997 55.803 0.128 0.000 0.888 49 Q CB -0.104 28.710 28.738 0.126 0.000 0.951 49 Q HN 0.693 nan 8.270 nan 0.000 0.469 50 Q N -0.234 119.586 119.800 0.034 0.000 2.320 50 Q HA 0.147 4.501 4.340 0.025 0.000 0.201 50 Q C -0.406 175.642 176.000 0.080 0.000 0.910 50 Q CA 0.072 55.847 55.803 -0.048 0.000 0.946 50 Q CB 0.453 29.070 28.738 -0.203 0.000 1.062 50 Q HN 0.027 nan 8.270 nan 0.000 0.503 51 L N 0.661 121.951 121.223 0.111 0.000 2.377 51 L HA 0.450 4.804 4.340 0.025 0.000 0.270 51 L C -1.181 175.783 176.870 0.156 0.000 0.991 51 L CA -0.411 54.499 54.840 0.117 0.000 0.851 51 L CB 1.024 43.061 42.059 -0.037 0.000 1.218 51 L HN -0.101 nan 8.230 nan 0.000 0.420 52 R N 2.406 123.032 120.500 0.210 0.000 2.474 52 R HA 0.585 4.940 4.340 0.025 0.000 0.295 52 R C -0.414 175.904 176.300 0.029 0.000 0.980 52 R CA -0.676 55.482 56.100 0.095 0.000 0.934 52 R CB 1.909 32.212 30.300 0.005 0.000 1.101 52 R HN 0.652 nan 8.270 nan 0.000 0.469 53 S N 2.066 117.774 115.700 0.014 0.000 2.537 53 S HA 0.245 4.730 4.470 0.025 0.000 0.275 53 S C 0.662 175.251 174.600 -0.017 0.000 1.272 53 S CA -0.635 57.563 58.200 -0.002 0.000 1.050 53 S CB 0.487 63.698 63.200 0.019 0.000 0.961 53 S HN 0.545 nan 8.310 nan 0.000 0.496 54 L N 3.732 124.941 121.223 -0.024 0.000 2.741 54 L HA 0.285 4.640 4.340 0.025 0.000 0.237 54 L C 0.246 177.245 176.870 0.214 0.000 1.178 54 L CA -0.379 54.465 54.840 0.007 0.000 0.973 54 L CB -0.359 41.641 42.059 -0.098 0.000 1.255 54 L HN 0.511 nan 8.230 nan 0.000 0.498 55 N N 1.220 119.999 118.700 0.131 0.000 2.453 55 N HA 0.471 5.226 4.740 0.025 0.000 0.253 55 N C 0.665 176.296 175.510 0.201 0.000 1.252 55 N CA 1.007 54.144 53.050 0.145 0.000 0.917 55 N CB 1.268 39.780 38.487 0.041 0.000 1.117 55 N HN 0.293 nan 8.380 nan 0.000 0.442 56 G N 0.357 109.298 108.800 0.236 0.000 2.240 56 G HA2 -0.087 3.888 3.960 0.025 0.000 0.199 56 G HA3 -0.087 3.888 3.960 0.025 0.000 0.199 56 G C -1.521 173.582 174.900 0.337 0.000 1.342 56 G CA -0.787 44.442 45.100 0.215 0.000 1.145 56 G HN 0.468 nan 8.290 nan 0.000 0.477 57 E N 0.184 120.548 120.200 0.273 0.000 2.223 57 E HA 0.443 4.808 4.350 0.025 0.000 0.282 57 E C -0.906 175.927 176.600 0.389 0.000 1.046 57 E CA -0.132 56.444 56.400 0.295 0.000 0.857 57 E CB 0.953 30.750 29.700 0.161 0.000 1.055 57 E HN 0.346 nan 8.360 nan 0.000 0.409 58 W N 1.726 123.116 121.300 0.149 0.000 2.804 58 W HA 0.404 5.079 4.660 0.025 0.000 0.352 58 W C 0.232 176.880 176.519 0.215 0.000 1.153 58 W CA -0.727 56.739 57.345 0.201 0.000 1.119 58 W CB 0.740 30.379 29.460 0.298 0.000 1.448 58 W HN 0.183 nan 8.180 nan 0.000 0.600 59 R N 1.366 122.153 120.500 0.479 0.000 2.474 59 R HA 0.599 4.954 4.340 0.025 0.000 0.295 59 R C -1.506 175.057 176.300 0.439 0.000 0.980 59 R CA -0.898 55.420 56.100 0.364 0.000 0.934 59 R CB 1.345 31.797 30.300 0.254 0.000 1.101 59 R HN 0.472 nan 8.270 nan 0.000 0.469 60 F N 0.365 120.366 119.950 0.084 0.000 2.591 60 F HA 0.640 5.182 4.527 0.025 0.000 0.309 60 F C -1.578 174.068 175.800 -0.257 0.000 1.098 60 F CA -0.600 57.303 58.000 -0.161 0.000 0.937 60 F CB 2.028 40.827 39.000 -0.335 0.000 1.250 60 F HN 0.623 nan 8.300 nan 0.000 0.447 61 A N 4.269 126.324 122.820 -1.275 0.000 2.455 61 A HA 0.575 4.910 4.320 0.025 0.000 0.300 61 A C -2.393 174.177 177.584 -1.690 0.000 1.040 61 A CA -0.537 50.806 52.037 -1.155 0.000 0.697 61 A CB 0.749 19.344 19.000 -0.675 0.000 1.265 61 A HN 0.948 nan 8.150 nan 0.000 0.407 62 W N 2.463 122.845 121.300 -1.530 0.000 2.438 62 W HA 0.745 5.419 4.660 0.025 0.000 0.324 62 W C -1.694 174.114 176.519 -1.185 0.000 1.119 62 W CA -0.284 56.320 57.345 -1.236 0.000 1.221 62 W CB 0.953 29.994 29.460 -0.699 0.000 1.253 62 W HN 0.499 nan 8.180 nan 0.000 0.555 63 F N 5.691 124.953 119.950 -1.146 0.000 2.603 63 F HA 0.375 4.917 4.527 0.025 0.000 0.317 63 F C -1.272 173.645 175.800 -1.471 0.000 1.066 63 F CA -2.116 55.319 58.000 -0.941 0.000 0.941 63 F CB 2.028 40.631 39.000 -0.663 0.000 1.291 63 F HN 0.211 nan 8.300 nan 0.000 0.472 64 P HA 0.155 nan 4.420 nan 0.000 0.236 64 P C -0.462 176.695 177.300 -0.237 0.000 1.177 64 P CA 0.730 63.530 63.100 -0.500 0.000 0.773 64 P CB 0.771 32.464 31.700 -0.011 0.000 0.878 65 A N -0.218 122.475 122.820 -0.212 0.000 2.597 65 A HA 0.514 4.849 4.320 0.025 0.000 0.292 65 A C -2.475 175.002 177.584 -0.178 0.000 1.057 65 A CA -0.963 51.003 52.037 -0.119 0.000 0.674 65 A CB 0.496 19.491 19.000 -0.008 0.000 1.278 65 A HN -0.297 nan 8.150 nan 0.000 0.416 66 P HA -0.081 nan 4.420 nan 0.000 0.221 66 P C 0.670 177.872 177.300 -0.164 0.000 1.150 66 P CA 1.339 64.307 63.100 -0.221 0.000 0.800 66 P CB 0.261 31.806 31.700 -0.258 0.000 0.787 67 E N 0.182 120.343 120.200 -0.065 0.000 2.338 67 E HA -0.041 4.324 4.350 0.025 0.000 0.197 67 E C 1.935 178.453 176.600 -0.136 0.000 1.007 67 E CA 1.069 57.435 56.400 -0.056 0.000 0.849 67 E CB -0.776 28.928 29.700 0.007 0.000 0.774 67 E HN 0.239 nan 8.360 nan 0.000 0.506 68 A N 0.262 122.961 122.820 -0.201 0.000 2.275 68 A HA 0.128 4.463 4.320 0.025 0.000 0.212 68 A C 0.614 177.836 177.584 -0.603 0.000 1.201 68 A CA -0.194 51.697 52.037 -0.243 0.000 0.843 68 A CB 0.354 19.305 19.000 -0.082 0.000 0.873 68 A HN 0.032 nan 8.150 nan 0.000 0.492 69 V N 2.762 122.222 119.914 -0.757 0.000 2.508 69 V HA 0.204 4.339 4.120 0.025 0.000 0.281 69 V C -2.176 173.527 176.094 -0.651 0.000 1.041 69 V CA -1.325 60.274 62.300 -1.168 0.000 1.016 69 V CB 0.709 31.982 31.823 -0.916 0.000 0.984 69 V HN 0.299 nan 8.190 nan 0.000 0.478 70 P HA 0.169 nan 4.420 nan 0.000 0.275 70 P C 0.613 177.834 177.300 -0.131 0.000 1.227 70 P CA -0.307 62.653 63.100 -0.234 0.000 0.781 70 P CB 0.861 32.486 31.700 -0.126 0.000 0.906 71 E N 2.573 122.715 120.200 -0.096 0.000 2.204 71 E HA -0.210 4.155 4.350 0.025 0.000 0.195 71 E C 1.549 178.118 176.600 -0.052 0.000 0.990 71 E CA 1.925 58.279 56.400 -0.077 0.000 0.821 71 E CB -0.603 29.056 29.700 -0.067 0.000 0.750 71 E HN 0.379 nan 8.360 nan 0.000 0.477 72 S N -0.512 115.175 115.700 -0.022 0.000 2.400 72 S HA -0.228 4.257 4.470 0.025 0.000 0.232 72 S C 1.876 176.489 174.600 0.021 0.000 1.025 72 S CA 0.940 59.138 58.200 -0.005 0.000 0.993 72 S CB -1.128 62.080 63.200 0.013 0.000 0.808 72 S HN 0.646 nan 8.310 nan 0.000 0.478 73 W N 2.292 123.492 121.300 -0.165 0.000 2.350 73 W HA 0.005 4.680 4.660 0.025 0.000 0.289 73 W C 1.672 178.073 176.519 -0.195 0.000 1.215 73 W CA 1.067 58.314 57.345 -0.164 0.000 1.236 73 W CB -0.336 29.003 29.460 -0.201 0.000 1.130 73 W HN 0.276 nan 8.180 nan 0.000 0.541 74 L N 0.232 121.237 121.223 -0.363 0.000 2.131 74 L HA -0.181 4.174 4.340 0.025 0.000 0.210 74 L C 2.411 179.043 176.870 -0.396 0.000 1.092 74 L CA 1.328 55.800 54.840 -0.612 0.000 0.759 74 L CB -0.657 41.084 42.059 -0.530 0.000 0.903 74 L HN -0.029 nan 8.230 nan 0.000 0.435 75 E N -1.216 118.837 120.200 -0.244 0.000 2.251 75 E HA 0.043 4.408 4.350 0.025 0.000 0.194 75 E C 0.415 176.937 176.600 -0.129 0.000 0.964 75 E CA 0.492 56.804 56.400 -0.146 0.000 0.868 75 E CB 0.756 30.404 29.700 -0.087 0.000 0.828 75 E HN 0.472 nan 8.360 nan 0.000 0.481 76 C N 0.223 119.449 119.300 -0.124 0.000 3.170 76 C HA 0.458 4.933 4.460 0.025 0.000 0.319 76 C C -0.626 174.345 174.990 -0.032 0.000 1.260 76 C CA -1.293 57.680 59.018 -0.076 0.000 1.374 76 C CB 1.176 28.892 27.740 -0.039 0.000 1.739 76 C HN 0.111 nan 8.230 nan 0.000 0.479 77 D N 1.428 121.825 120.400 -0.005 0.000 2.533 77 D HA 0.269 4.924 4.640 0.025 0.000 0.236 77 D C -0.122 176.245 176.300 0.111 0.000 1.137 77 D CA 0.569 54.609 54.000 0.065 0.000 0.867 77 D CB 0.492 41.324 40.800 0.053 0.000 1.170 77 D HN 0.600 nan 8.370 nan 0.000 0.474 78 L N 6.101 127.439 121.223 0.193 0.000 2.319 78 L HA 0.244 4.599 4.340 0.025 0.000 0.280 78 L C -1.233 175.698 176.870 0.101 0.000 1.099 78 L CA -1.510 53.424 54.840 0.157 0.000 0.828 78 L CB 1.181 43.352 42.059 0.187 0.000 1.150 78 L HN 0.507 nan 8.230 nan 0.000 0.442 79 P HA -0.141 nan 4.420 nan 0.000 0.220 79 P C 0.693 178.021 177.300 0.046 0.000 1.148 79 P CA 0.994 64.126 63.100 0.053 0.000 0.803 79 P CB 0.256 31.981 31.700 0.041 0.000 0.782 80 E N -0.219 120.006 120.200 0.041 0.000 2.418 80 E HA 0.106 4.471 4.350 0.025 0.000 0.197 80 E C 1.084 177.689 176.600 0.008 0.000 1.026 80 E CA 0.193 56.603 56.400 0.017 0.000 0.862 80 E CB -0.653 29.041 29.700 -0.009 0.000 0.799 80 E HN 0.212 nan 8.360 nan 0.000 0.518 81 A N 1.222 124.058 122.820 0.026 0.000 2.429 81 A HA 0.124 4.459 4.320 0.025 0.000 0.242 81 A C -0.001 177.629 177.584 0.076 0.000 1.088 81 A CA -0.183 51.869 52.037 0.024 0.000 0.784 81 A CB 0.321 19.365 19.000 0.073 0.000 1.038 81 A HN -0.053 nan 8.150 nan 0.000 0.501 82 D N -0.474 120.000 120.400 0.124 0.000 2.340 82 D HA 0.516 5.171 4.640 0.025 0.000 0.243 82 D C -0.623 175.788 176.300 0.185 0.000 0.988 82 D CA 0.011 54.109 54.000 0.164 0.000 0.959 82 D CB 1.397 42.350 40.800 0.254 0.000 1.226 82 D HN 0.388 nan 8.370 nan 0.000 0.509 83 T N 0.566 115.213 114.554 0.154 0.000 2.744 83 T HA 0.501 4.866 4.350 0.025 0.000 0.291 83 T C 0.131 174.922 174.700 0.151 0.000 0.957 83 T CA -0.543 61.656 62.100 0.165 0.000 1.002 83 T CB 0.610 69.550 68.868 0.119 0.000 0.919 83 T HN 0.259 nan 8.240 nan 0.000 0.468 84 V N 1.387 121.422 119.914 0.201 0.000 3.102 84 V HA 0.818 4.953 4.120 0.025 0.000 0.312 84 V C -0.343 175.869 176.094 0.197 0.000 1.135 84 V CA -1.012 61.363 62.300 0.125 0.000 1.022 84 V CB 1.724 33.633 31.823 0.144 0.000 1.056 84 V HN 0.500 nan 8.190 nan 0.000 0.436 85 V N 1.771 121.777 119.914 0.154 0.000 2.607 85 V HA 0.571 4.706 4.120 0.025 0.000 0.289 85 V C -0.059 176.129 176.094 0.157 0.000 1.053 85 V CA -0.132 62.266 62.300 0.164 0.000 0.996 85 V CB 1.532 33.419 31.823 0.107 0.000 0.995 85 V HN 0.767 nan 8.190 nan 0.000 0.476 86 V N 6.747 126.675 119.914 0.024 0.000 2.656 86 V HA 0.466 4.601 4.120 0.025 0.000 0.307 86 V C -2.304 173.690 176.094 -0.167 0.000 1.051 86 V CA -1.724 60.447 62.300 -0.215 0.000 0.893 86 V CB 2.489 33.830 31.823 -0.803 0.000 0.999 86 V HN 0.760 nan 8.190 nan 0.000 0.426 87 P HA 0.418 nan 4.420 nan 0.000 0.274 87 P C -0.789 176.449 177.300 -0.103 0.000 1.231 87 P CA -0.066 62.918 63.100 -0.193 0.000 0.790 87 P CB 1.268 32.865 31.700 -0.170 0.000 0.951 88 S N 0.230 115.877 115.700 -0.088 0.000 2.595 88 S HA 0.426 4.911 4.470 0.025 0.000 0.270 88 S C -1.269 173.265 174.600 -0.109 0.000 1.145 88 S CA -1.030 57.104 58.200 -0.110 0.000 0.825 88 S CB 0.530 63.623 63.200 -0.178 0.000 1.107 88 S HN 0.362 nan 8.310 nan 0.000 0.461 89 N N 0.802 119.371 118.700 -0.218 0.000 2.400 89 N HA 0.462 5.217 4.740 0.025 0.000 0.288 89 N C 0.386 175.718 175.510 -0.297 0.000 1.024 89 N CA -0.859 52.033 53.050 -0.262 0.000 0.894 89 N CB 0.788 39.085 38.487 -0.317 0.000 1.173 89 N HN 0.873 nan 8.380 nan 0.000 0.487 90 W N 2.091 123.252 121.300 -0.233 0.000 2.525 90 W HA 0.002 4.677 4.660 0.025 0.000 0.259 90 W C 0.941 177.423 176.519 -0.061 0.000 1.253 90 W CA 0.500 57.702 57.345 -0.239 0.000 1.262 90 W CB -0.299 29.012 29.460 -0.247 0.000 1.122 90 W HN 0.503 nan 8.180 nan 0.000 0.607 91 Q N 0.654 120.416 119.800 -0.064 0.000 2.167 91 Q HA -0.098 4.257 4.340 0.025 0.000 0.202 91 Q C 2.143 178.080 176.000 -0.105 0.000 0.970 91 Q CA 1.738 57.505 55.803 -0.060 0.000 0.855 91 Q CB -0.547 28.038 28.738 -0.254 0.000 0.911 91 Q HN 0.277 nan 8.270 nan 0.000 0.438 92 M N -0.768 118.728 119.600 -0.173 0.000 2.619 92 M HA -0.031 4.464 4.480 0.025 0.000 0.251 92 M C 0.613 176.955 176.300 0.070 0.000 1.106 92 M CA 1.289 56.514 55.300 -0.124 0.000 1.086 92 M CB -0.557 31.950 32.600 -0.155 0.000 1.465 92 M HN 0.385 nan 8.290 nan 0.000 0.506 93 H N -0.800 118.283 119.070 0.021 0.000 2.586 93 H HA 0.281 4.852 4.556 0.025 0.000 0.273 93 H C 1.321 176.526 175.328 -0.207 0.000 0.997 93 H CA 0.142 56.182 56.048 -0.013 0.000 1.177 93 H CB 0.522 30.378 29.762 0.155 0.000 1.471 93 H HN 0.553 nan 8.280 nan 0.000 0.538 94 G N 0.554 109.338 108.800 -0.027 0.000 2.157 94 G HA2 -0.355 3.620 3.960 0.025 0.000 0.248 94 G HA3 -0.355 3.620 3.960 0.025 0.000 0.248 94 G C 0.367 175.128 174.900 -0.231 0.000 0.979 94 G CA 0.278 45.297 45.100 -0.134 0.000 0.650 94 G HN 0.437 nan 8.290 nan 0.000 0.529 95 Y N 1.653 121.959 120.300 0.009 0.000 2.293 95 Y HA 0.242 4.807 4.550 0.025 0.000 0.291 95 Y C 1.696 177.343 175.900 -0.422 0.000 1.137 95 Y CA 1.737 59.723 58.100 -0.190 0.000 1.202 95 Y CB 0.153 38.572 38.460 -0.069 0.000 0.990 95 Y HN 0.673 nan 8.280 nan 0.000 0.537 96 D N -2.115 118.325 120.400 0.066 0.000 2.665 96 D HA 0.511 5.166 4.640 0.025 0.000 0.287 96 D C -1.258 175.105 176.300 0.105 0.000 1.266 96 D CA -0.845 53.187 54.000 0.053 0.000 0.830 96 D CB 0.793 41.737 40.800 0.239 0.000 1.356 96 D HN -0.044 nan 8.370 nan 0.000 0.437 97 A N 0.085 122.976 122.820 0.120 0.000 2.310 97 A HA 0.721 5.056 4.320 0.025 0.000 0.299 97 A C -2.357 175.244 177.584 0.028 0.000 1.147 97 A CA -1.267 50.818 52.037 0.080 0.000 0.818 97 A CB 0.267 19.387 19.000 0.200 0.000 1.096 97 A HN 0.551 nan 8.150 nan 0.000 0.495 98 P HA 0.422 nan 4.420 nan 0.000 0.274 98 P C -0.896 176.562 177.300 0.263 0.000 1.231 98 P CA 0.066 63.110 63.100 -0.092 0.000 0.790 98 P CB 0.781 32.187 31.700 -0.491 0.000 0.951 99 I N 2.193 123.008 120.570 0.409 0.000 2.433 99 I HA 0.256 4.441 4.170 0.025 0.000 0.292 99 I C -0.511 175.769 176.117 0.271 0.000 1.001 99 I CA -0.978 60.551 61.300 0.382 0.000 1.119 99 I CB 1.596 39.761 38.000 0.275 0.000 1.289 99 I HN 0.288 nan 8.210 nan 0.000 0.438 100 Y N 6.127 126.334 120.300 -0.155 0.000 2.491 100 Y HA 0.510 5.075 4.550 0.025 0.000 0.334 100 Y C -0.312 175.420 175.900 -0.281 0.000 0.969 100 Y CA -0.575 57.156 58.100 -0.614 0.000 1.241 100 Y CB 1.094 38.708 38.460 -1.411 0.000 1.105 100 Y HN 0.540 nan 8.280 nan 0.000 0.503 101 T N 5.059 119.114 114.554 -0.831 0.000 2.876 101 T HA 0.268 4.633 4.350 0.025 0.000 0.289 101 T C 0.264 174.482 174.700 -0.804 0.000 1.014 101 T CA -0.574 61.064 62.100 -0.770 0.000 0.986 101 T CB 1.123 69.770 68.868 -0.369 0.000 1.021 101 T HN 0.763 nan 8.240 nan 0.000 0.458 102 N N 2.730 120.998 118.700 -0.719 0.000 2.272 102 N HA 0.053 4.807 4.740 0.025 0.000 0.195 102 N C 1.535 176.772 175.510 -0.456 0.000 1.048 102 N CA 1.506 54.269 53.050 -0.478 0.000 0.912 102 N CB -0.625 37.607 38.487 -0.425 0.000 1.096 102 N HN 0.390 nan 8.380 nan 0.000 0.471 103 V N 0.290 119.871 119.914 -0.555 0.000 2.581 103 V HA 0.123 4.258 4.120 0.025 0.000 0.240 103 V C 0.356 176.142 176.094 -0.515 0.000 1.054 103 V CA 0.795 62.690 62.300 -0.676 0.000 1.076 103 V CB -0.625 30.700 31.823 -0.830 0.000 0.748 103 V HN 0.325 nan 8.190 nan 0.000 0.474 104 T N 1.240 115.559 114.554 -0.391 0.000 2.871 104 T HA 0.099 4.464 4.350 0.025 0.000 0.296 104 T C -0.322 174.243 174.700 -0.225 0.000 0.998 104 T CA 0.320 62.268 62.100 -0.253 0.000 1.162 104 T CB -0.247 68.503 68.868 -0.197 0.000 0.947 104 T HN 0.166 nan 8.240 nan 0.000 0.536 105 Y N 4.873 125.076 120.300 -0.162 0.000 2.550 105 Y HA 0.121 4.686 4.550 0.024 0.000 0.343 105 Y C -0.760 175.015 175.900 -0.209 0.000 1.245 105 Y CA -1.510 56.484 58.100 -0.175 0.000 1.462 105 Y CB 0.390 38.742 38.460 -0.179 0.000 1.340 105 Y HN 0.501 nan 8.280 nan 0.000 0.604 106 P HA 0.041 nan 4.420 nan 0.000 0.249 106 P C -0.393 176.680 177.300 -0.379 0.000 1.229 106 P CA 0.974 63.967 63.100 -0.178 0.000 0.788 106 P CB 0.094 31.739 31.700 -0.090 0.000 1.072 107 I N -5.046 115.274 120.570 -0.417 0.000 3.002 107 I HA 0.498 4.683 4.170 0.025 0.000 0.310 107 I C -0.513 175.467 176.117 -0.227 0.000 1.087 107 I CA -1.234 59.790 61.300 -0.461 0.000 1.017 107 I CB 1.686 39.255 38.000 -0.719 0.000 1.226 107 I HN -0.457 nan 8.210 nan 0.000 0.443 108 T N 2.704 117.169 114.554 -0.148 0.000 2.934 108 T HA 0.138 4.503 4.350 0.025 0.000 0.306 108 T C 0.194 174.877 174.700 -0.028 0.000 1.042 108 T CA -0.187 61.877 62.100 -0.059 0.000 1.145 108 T CB 0.594 69.449 68.868 -0.022 0.000 0.982 108 T HN 0.381 nan 8.240 nan 0.000 0.544 109 V N 4.853 124.765 119.914 -0.003 0.000 2.370 109 V HA 0.250 4.385 4.120 0.025 0.000 0.257 109 V C 0.669 176.803 176.094 0.067 0.000 1.064 109 V CA -0.256 62.062 62.300 0.029 0.000 0.975 109 V CB -0.197 31.623 31.823 -0.005 0.000 1.067 109 V HN 0.866 nan 8.190 nan 0.000 0.485 110 N N 5.981 124.775 118.700 0.158 0.000 2.666 110 N HA 0.249 5.004 4.740 0.025 0.000 0.253 110 N C -2.903 172.696 175.510 0.149 0.000 1.621 110 N CA -1.196 51.942 53.050 0.146 0.000 0.785 110 N CB 1.501 40.108 38.487 0.200 0.000 1.332 110 N HN 0.278 nan 8.380 nan 0.000 0.514 111 P HA 0.218 nan 4.420 nan 0.000 0.269 111 P C -2.237 174.880 177.300 -0.304 0.000 1.209 111 P CA -0.723 61.993 63.100 -0.640 0.000 0.776 111 P CB 0.682 31.821 31.700 -0.934 0.000 0.876 112 P HA 0.221 nan 4.420 nan 0.000 0.259 112 P C -0.451 176.713 177.300 -0.226 0.000 1.530 112 P CA -0.246 62.650 63.100 -0.341 0.000 1.022 112 P CB 0.034 31.511 31.700 -0.371 0.000 1.514 113 F N 1.163 121.211 119.950 0.162 0.000 2.380 113 F HA 0.311 4.854 4.527 0.025 0.000 0.325 113 F C 1.343 177.313 175.800 0.283 0.000 1.136 113 F CA -0.660 57.450 58.000 0.184 0.000 1.171 113 F CB 0.619 39.679 39.000 0.100 0.000 1.230 113 F HN -0.204 nan 8.300 nan 0.000 0.554 114 V N -1.128 119.062 119.914 0.460 0.000 3.126 114 V HA 0.727 4.862 4.120 0.025 0.000 0.314 114 V C -2.785 173.473 176.094 0.274 0.000 1.138 114 V CA -2.868 59.629 62.300 0.329 0.000 1.034 114 V CB 1.403 33.480 31.823 0.423 0.000 1.075 114 V HN 0.493 nan 8.190 nan 0.000 0.442 115 P HA 0.200 nan 4.420 nan 0.000 0.269 115 P C 1.063 178.505 177.300 0.237 0.000 1.215 115 P CA 0.542 63.734 63.100 0.153 0.000 0.780 115 P CB 0.560 32.319 31.700 0.100 0.000 0.898 116 T N -1.794 112.870 114.554 0.183 0.000 2.821 116 T HA -0.090 4.275 4.350 0.025 0.000 0.267 116 T C 0.563 175.375 174.700 0.186 0.000 1.046 116 T CA 0.845 63.058 62.100 0.189 0.000 1.139 116 T CB -0.557 68.388 68.868 0.128 0.000 0.871 116 T HN 0.382 nan 8.240 nan 0.000 0.454 117 E N 2.629 122.936 120.200 0.178 0.000 1.932 117 E HA 0.226 4.591 4.350 0.025 0.000 0.275 117 E C -0.760 176.003 176.600 0.272 0.000 1.159 117 E CA -0.334 56.179 56.400 0.188 0.000 0.905 117 E CB 0.150 29.965 29.700 0.191 0.000 1.059 117 E HN 0.260 nan 8.360 nan 0.000 0.400 118 N N 4.739 123.574 118.700 0.224 0.000 2.623 118 N HA 0.236 4.991 4.740 0.025 0.000 0.256 118 N C -2.862 172.684 175.510 0.060 0.000 1.045 118 N CA -2.454 50.764 53.050 0.281 0.000 0.863 118 N CB 1.120 39.767 38.487 0.266 0.000 1.182 118 N HN 0.052 nan 8.380 nan 0.000 0.523 119 P HA 0.011 nan 4.420 nan 0.000 0.260 119 P C -0.838 176.372 177.300 -0.149 0.000 1.172 119 P CA 0.531 63.574 63.100 -0.095 0.000 0.760 119 P CB 0.430 32.388 31.700 0.429 0.000 0.773 120 T N 2.797 116.994 114.554 -0.596 0.000 2.840 120 T HA 0.546 4.911 4.350 0.025 0.000 0.287 120 T C 0.203 174.391 174.700 -0.853 0.000 0.991 120 T CA -0.566 61.247 62.100 -0.478 0.000 0.964 120 T CB 1.490 70.115 68.868 -0.405 0.000 0.954 120 T HN 0.341 nan 8.240 nan 0.000 0.438 121 G N 1.166 109.494 108.800 -0.786 0.000 2.347 121 G HA2 0.474 4.449 3.960 0.025 0.000 0.314 121 G HA3 0.474 4.449 3.960 0.025 0.000 0.314 121 G C -0.234 174.386 174.900 -0.466 0.000 1.126 121 G CA -0.340 44.173 45.100 -0.979 0.000 0.929 121 G HN 0.862 nan 8.290 nan 0.000 0.441 122 C N 3.318 122.132 119.300 -0.810 0.000 2.223 122 C HA 0.481 4.956 4.460 0.025 0.000 0.324 122 C C -0.481 174.498 174.990 -0.019 0.000 1.196 122 C CA -0.878 57.857 59.018 -0.473 0.000 1.628 122 C CB -1.660 25.364 27.740 -1.193 0.000 2.229 122 C HN 0.639 nan 8.230 nan 0.000 0.486 123 Y N 1.896 122.484 120.300 0.479 0.000 2.457 123 Y HA 0.662 5.227 4.550 0.025 0.000 0.333 123 Y C 0.794 177.153 175.900 0.765 0.000 1.119 123 Y CA -0.148 58.342 58.100 0.650 0.000 1.143 123 Y CB 1.560 40.393 38.460 0.622 0.000 1.230 123 Y HN 0.676 nan 8.280 nan 0.000 0.469 124 S N 1.850 118.046 115.700 0.827 0.000 2.570 124 S HA 0.796 5.281 4.470 0.025 0.000 0.270 124 S C -2.012 172.643 174.600 0.092 0.000 1.149 124 S CA -0.821 57.620 58.200 0.402 0.000 0.837 124 S CB 2.144 65.457 63.200 0.188 0.000 1.124 124 S HN 0.590 nan 8.310 nan 0.000 0.465 125 L N 0.940 122.030 121.223 -0.221 0.000 2.493 125 L HA 0.690 5.045 4.340 0.025 0.000 0.265 125 L C -1.048 175.765 176.870 -0.094 0.000 0.954 125 L CA 0.136 54.703 54.840 -0.455 0.000 0.844 125 L CB 2.252 43.530 42.059 -1.302 0.000 1.302 125 L HN 0.921 nan 8.230 nan 0.000 0.405 126 T N 5.648 120.182 114.554 -0.034 0.000 2.767 126 T HA 0.750 5.115 4.350 0.025 0.000 0.288 126 T C -0.824 173.930 174.700 0.090 0.000 0.963 126 T CA 0.036 62.151 62.100 0.025 0.000 1.019 126 T CB 0.281 69.126 68.868 -0.039 0.000 0.923 126 T HN 0.437 nan 8.240 nan 0.000 0.468 127 F N 0.772 120.625 119.950 -0.162 0.000 2.711 127 F HA 0.714 5.256 4.527 0.025 0.000 0.313 127 F C -0.929 174.792 175.800 -0.131 0.000 1.141 127 F CA -1.874 56.032 58.000 -0.157 0.000 0.941 127 F CB 0.945 39.828 39.000 -0.195 0.000 1.349 127 F HN 0.342 nan 8.300 nan 0.000 0.464 128 N N -0.003 118.607 118.700 -0.149 0.000 2.509 128 N HA 0.657 5.412 4.740 0.025 0.000 0.287 128 N C -1.857 173.521 175.510 -0.220 0.000 1.121 128 N CA -0.368 52.544 53.050 -0.229 0.000 0.977 128 N CB 1.723 40.137 38.487 -0.122 0.000 1.167 128 N HN 0.636 nan 8.380 nan 0.000 0.476 129 V N 2.305 122.064 119.914 -0.259 0.000 2.577 129 V HA 0.271 4.406 4.120 0.025 0.000 0.303 129 V C -0.846 175.143 176.094 -0.175 0.000 1.042 129 V CA -0.982 61.183 62.300 -0.226 0.000 0.872 129 V CB 1.689 33.426 31.823 -0.145 0.000 0.998 129 V HN 0.708 nan 8.190 nan 0.000 0.423 130 D N 2.861 123.126 120.400 -0.225 0.000 2.389 130 D HA 0.094 4.749 4.640 0.025 0.000 0.247 130 D C 1.024 177.350 176.300 0.043 0.000 1.128 130 D CA -0.028 53.923 54.000 -0.081 0.000 0.884 130 D CB 1.845 42.612 40.800 -0.056 0.000 1.194 130 D HN 0.732 nan 8.370 nan 0.000 0.441 131 E N 1.317 121.544 120.200 0.046 0.000 2.204 131 E HA -0.189 4.176 4.350 0.025 0.000 0.195 131 E C 1.543 178.213 176.600 0.116 0.000 0.990 131 E CA 1.340 57.784 56.400 0.073 0.000 0.821 131 E CB -0.030 29.695 29.700 0.040 0.000 0.750 131 E HN 0.394 nan 8.360 nan 0.000 0.477 132 S N -0.950 114.831 115.700 0.134 0.000 2.419 132 S HA -0.167 4.318 4.470 0.025 0.000 0.235 132 S C 1.613 176.279 174.600 0.110 0.000 1.019 132 S CA 0.965 59.234 58.200 0.115 0.000 0.982 132 S CB -0.800 62.468 63.200 0.112 0.000 0.789 132 S HN 0.422 nan 8.310 nan 0.000 0.490 133 W N 1.405 122.641 121.300 -0.107 0.000 2.678 133 W HA 0.426 5.101 4.660 0.025 0.000 0.256 133 W C 1.793 178.400 176.519 0.146 0.000 1.280 133 W CA -0.206 57.076 57.345 -0.106 0.000 1.345 133 W CB -0.320 29.156 29.460 0.027 0.000 1.118 133 W HN 0.305 nan 8.180 nan 0.000 0.629 134 L N -0.270 121.131 121.223 0.296 0.000 2.575 134 L HA 0.028 4.383 4.340 0.025 0.000 0.228 134 L C 2.490 179.449 176.870 0.150 0.000 1.075 134 L CA 0.419 55.391 54.840 0.220 0.000 0.867 134 L CB -0.660 41.495 42.059 0.160 0.000 1.097 134 L HN -0.003 nan 8.230 nan 0.000 0.485 135 Q N 1.955 121.828 119.800 0.121 0.000 2.291 135 Q HA -0.072 4.283 4.340 0.025 0.000 0.205 135 Q C 0.166 176.215 176.000 0.082 0.000 0.970 135 Q CA 0.773 56.625 55.803 0.082 0.000 0.876 135 Q CB 0.016 28.789 28.738 0.058 0.000 0.935 135 Q HN 0.653 nan 8.270 nan 0.000 0.455 136 E N -1.350 118.920 120.200 0.116 0.000 2.430 136 E HA 0.566 4.930 4.350 0.025 0.000 0.279 136 E C -0.273 176.440 176.600 0.188 0.000 1.003 136 E CA -0.862 55.602 56.400 0.108 0.000 0.801 136 E CB 1.340 31.086 29.700 0.077 0.000 1.313 136 E HN 0.167 nan 8.360 nan 0.000 0.459 137 G N 0.584 109.437 108.800 0.087 0.000 2.741 137 G HA2 -0.251 3.724 3.960 0.025 0.000 0.222 137 G HA3 -0.251 3.724 3.960 0.025 0.000 0.222 137 G C -0.865 173.955 174.900 -0.134 0.000 1.364 137 G CA 0.043 45.106 45.100 -0.062 0.000 0.866 137 G HN 0.730 nan 8.290 nan 0.000 0.555 138 Q N -0.543 119.019 119.800 -0.397 0.000 2.340 138 Q HA 0.631 4.986 4.340 0.025 0.000 0.268 138 Q C -0.867 174.984 176.000 -0.247 0.000 1.031 138 Q CA -0.497 55.179 55.803 -0.211 0.000 0.804 138 Q CB 1.469 30.107 28.738 -0.167 0.000 1.286 138 Q HN 0.613 nan 8.270 nan 0.000 0.448 139 T N 4.971 119.556 114.554 0.051 0.000 2.756 139 T HA 0.457 4.822 4.350 0.025 0.000 0.290 139 T C -0.586 174.239 174.700 0.209 0.000 0.985 139 T CA -0.604 61.636 62.100 0.233 0.000 0.955 139 T CB 0.465 69.616 68.868 0.472 0.000 0.930 139 T HN 0.617 nan 8.240 nan 0.000 0.451 140 R N 2.916 123.525 120.500 0.183 0.000 2.832 140 R HA 0.794 5.149 4.340 0.025 0.000 0.271 140 R C -1.021 175.381 176.300 0.171 0.000 0.996 140 R CA -0.998 55.205 56.100 0.171 0.000 0.977 140 R CB 1.511 31.883 30.300 0.120 0.000 1.168 140 R HN 0.549 nan 8.270 nan 0.000 0.482 141 I N 1.948 122.616 120.570 0.164 0.000 2.493 141 I HA 0.457 4.642 4.170 0.025 0.000 0.298 141 I C -1.095 175.055 176.117 0.055 0.000 0.998 141 I CA -1.339 59.996 61.300 0.059 0.000 1.137 141 I CB 1.486 39.510 38.000 0.040 0.000 1.310 141 I HN 0.615 nan 8.210 nan 0.000 0.445 142 I N 7.148 127.649 120.570 -0.116 0.000 2.439 142 I HA 0.279 4.463 4.170 0.025 0.000 0.285 142 I C -1.293 174.662 176.117 -0.270 0.000 1.021 142 I CA -0.375 60.877 61.300 -0.079 0.000 1.091 142 I CB 1.490 39.457 38.000 -0.054 0.000 1.242 142 I HN 0.396 nan 8.210 nan 0.000 0.439 143 F N 4.712 124.654 119.950 -0.012 0.000 2.313 143 F HA 0.252 4.794 4.527 0.025 0.000 0.369 143 F C 1.347 177.033 175.800 -0.190 0.000 1.109 143 F CA -0.414 57.501 58.000 -0.142 0.000 1.132 143 F CB 0.641 39.514 39.000 -0.212 0.000 1.291 143 F HN 0.461 nan 8.300 nan 0.000 0.496 144 D N 2.349 122.661 120.400 -0.148 0.000 2.264 144 D HA 0.018 4.673 4.640 0.025 0.000 0.208 144 D C 1.048 177.178 176.300 -0.283 0.000 0.966 144 D CA 0.913 54.781 54.000 -0.219 0.000 0.864 144 D CB 0.371 40.976 40.800 -0.325 0.000 0.933 144 D HN 0.611 nan 8.370 nan 0.000 0.499 145 G N -0.340 108.230 108.800 -0.384 0.000 2.552 145 G HA2 0.443 4.418 3.960 0.025 0.000 0.288 145 G HA3 0.443 4.418 3.960 0.025 0.000 0.288 145 G C -1.421 173.212 174.900 -0.445 0.000 1.358 145 G CA -0.382 44.359 45.100 -0.597 0.000 1.305 145 G HN -0.057 nan 8.290 nan 0.000 0.602 146 V N 2.698 122.550 119.914 -0.103 0.000 2.482 146 V HA 0.491 4.626 4.120 0.025 0.000 0.295 146 V C -0.825 175.349 176.094 0.133 0.000 1.026 146 V CA -1.166 61.080 62.300 -0.089 0.000 0.856 146 V CB 1.873 33.392 31.823 -0.507 0.000 1.001 146 V HN 0.687 nan 8.190 nan 0.000 0.424 147 N N 2.683 121.466 118.700 0.138 0.000 2.476 147 N HA 0.325 5.080 4.740 0.025 0.000 0.257 147 N C 0.588 176.041 175.510 -0.095 0.000 0.970 147 N CA 0.204 53.250 53.050 -0.006 0.000 0.938 147 N CB 2.099 40.435 38.487 -0.253 0.000 1.144 147 N HN 0.681 nan 8.380 nan 0.000 0.500 148 S N 1.890 117.574 115.700 -0.026 0.000 2.549 148 S HA 0.575 5.060 4.470 0.025 0.000 0.225 148 S C 0.326 174.994 174.600 0.112 0.000 1.039 148 S CA 0.055 58.285 58.200 0.050 0.000 0.942 148 S CB 0.404 63.646 63.200 0.070 0.000 0.881 148 S HN 0.619 nan 8.310 nan 0.000 0.503 149 A N 0.908 123.805 122.820 0.128 0.000 2.612 149 A HA 0.778 5.113 4.320 0.025 0.000 0.293 149 A C -1.429 176.249 177.584 0.156 0.000 1.075 149 A CA -0.906 51.170 52.037 0.066 0.000 0.680 149 A CB 0.972 20.034 19.000 0.104 0.000 1.279 149 A HN 1.085 nan 8.150 nan 0.000 0.411 150 F N -0.621 119.139 119.950 -0.316 0.000 2.678 150 F HA 0.714 5.256 4.527 0.025 0.000 0.308 150 F C -1.125 174.548 175.800 -0.212 0.000 1.118 150 F CA -0.769 57.136 58.000 -0.158 0.000 0.959 150 F CB 0.981 39.880 39.000 -0.169 0.000 1.305 150 F HN 0.626 nan 8.300 nan 0.000 0.443 151 H N 2.014 121.205 119.070 0.200 0.000 2.479 151 H HA 0.728 5.299 4.556 0.025 0.000 0.335 151 H C -1.365 173.898 175.328 -0.108 0.000 1.142 151 H CA -0.678 55.361 56.048 -0.016 0.000 1.234 151 H CB 2.483 32.211 29.762 -0.058 0.000 1.503 151 H HN 0.775 nan 8.280 nan 0.000 0.510 152 L N 3.003 123.982 121.223 -0.407 0.000 2.385 152 L HA 0.389 4.744 4.340 0.025 0.000 0.273 152 L C -1.614 174.945 176.870 -0.519 0.000 0.990 152 L CA -0.526 54.146 54.840 -0.280 0.000 0.821 152 L CB 1.438 43.191 42.059 -0.511 0.000 1.279 152 L HN 0.523 nan 8.230 nan 0.000 0.412 153 W N 4.177 125.437 121.300 -0.066 0.000 2.781 153 W HA 0.616 5.291 4.660 0.025 0.000 0.345 153 W C -1.115 175.332 176.519 -0.119 0.000 1.085 153 W CA -0.819 56.469 57.345 -0.095 0.000 1.198 153 W CB 2.048 31.496 29.460 -0.021 0.000 1.423 153 W HN 0.594 nan 8.180 nan 0.000 0.532 154 C N 4.500 123.859 119.300 0.097 0.000 2.432 154 C HA 0.286 4.761 4.460 0.025 0.000 0.334 154 C C 0.188 175.287 174.990 0.183 0.000 1.155 154 C CA -0.369 58.707 59.018 0.097 0.000 1.335 154 C CB -0.759 26.970 27.740 -0.019 0.000 1.964 154 C HN 0.807 nan 8.230 nan 0.000 0.444 155 N N 3.606 122.375 118.700 0.115 0.000 2.735 155 N HA -0.185 4.570 4.740 0.025 0.000 0.248 155 N C 0.951 176.518 175.510 0.096 0.000 1.083 155 N CA 2.032 55.129 53.050 0.078 0.000 0.703 155 N CB -1.338 37.203 38.487 0.090 0.000 1.005 155 N HN 1.866 nan 8.380 nan 0.000 0.550 156 G N -1.182 107.669 108.800 0.085 0.000 2.179 156 G HA2 -0.364 3.611 3.960 0.025 0.000 0.260 156 G HA3 -0.364 3.611 3.960 0.025 0.000 0.260 156 G C 0.105 175.160 174.900 0.258 0.000 0.977 156 G CA 0.650 45.797 45.100 0.079 0.000 0.641 156 G HN 0.564 nan 8.290 nan 0.000 0.533 157 R N -1.025 119.692 120.500 0.362 0.000 2.460 157 R HA 0.459 4.814 4.340 0.025 0.000 0.303 157 R C -0.296 176.305 176.300 0.502 0.000 0.968 157 R CA -0.884 55.503 56.100 0.478 0.000 0.889 157 R CB 1.207 31.806 30.300 0.497 0.000 1.123 157 R HN 0.212 nan 8.270 nan 0.000 0.455 158 W N 3.581 125.046 121.300 0.275 0.000 2.253 158 W HA 0.104 4.779 4.660 0.025 0.000 0.322 158 W C 0.066 176.481 176.519 -0.174 0.000 1.342 158 W CA -0.003 57.216 57.345 -0.209 0.000 1.218 158 W CB 0.716 30.030 29.460 -0.244 0.000 1.205 158 W HN 0.338 nan 8.180 nan 0.000 0.551 159 V N 5.431 124.579 119.914 -1.277 0.000 2.627 159 V HA 0.518 4.653 4.120 0.025 0.000 0.239 159 V C 1.085 176.163 176.094 -1.692 0.000 1.077 159 V CA 1.070 62.580 62.300 -1.317 0.000 1.103 159 V CB -0.464 30.638 31.823 -1.201 0.000 0.802 159 V HN 0.837 nan 8.190 nan 0.000 0.482 160 G N -1.753 105.796 108.800 -2.086 0.000 2.340 160 G HA2 0.458 4.433 3.960 0.025 0.000 0.299 160 G HA3 0.458 4.433 3.960 0.025 0.000 0.299 160 G C -2.430 171.994 174.900 -0.794 0.000 1.291 160 G CA -0.265 44.024 45.100 -1.351 0.000 0.841 160 G HN 0.023 nan 8.290 nan 0.000 0.500 161 Y N -0.517 119.506 120.300 -0.462 0.000 2.544 161 Y HA 0.703 5.268 4.550 0.025 0.000 0.342 161 Y C -0.084 175.584 175.900 -0.385 0.000 1.062 161 Y CA -0.003 57.780 58.100 -0.527 0.000 1.023 161 Y CB 2.200 40.514 38.460 -0.243 0.000 1.308 161 Y HN 1.255 nan 8.280 nan 0.000 0.457 162 G N 3.656 111.605 108.800 -1.419 0.000 2.696 162 G HA2 0.603 4.578 3.960 0.025 0.000 0.295 162 G HA3 0.603 4.578 3.960 0.025 0.000 0.295 162 G C -2.099 172.349 174.900 -0.754 0.000 1.398 162 G CA -0.883 43.725 45.100 -0.820 0.000 0.920 162 G HN 0.629 nan 8.290 nan 0.000 0.492 163 Q N -0.354 119.263 119.800 -0.305 0.000 2.668 163 Q HA 0.596 4.951 4.340 0.025 0.000 0.298 163 Q C -1.440 174.570 176.000 0.016 0.000 1.071 163 Q CA -0.860 54.888 55.803 -0.093 0.000 0.789 163 Q CB 2.705 31.443 28.738 0.001 0.000 1.497 163 Q HN 0.645 nan 8.270 nan 0.000 0.460 164 D N -0.207 120.238 120.400 0.075 0.000 4.303 164 D HA -0.095 4.560 4.640 0.025 0.000 0.230 164 D C -0.637 175.733 176.300 0.116 0.000 1.172 164 D CA 0.400 54.459 54.000 0.098 0.000 1.001 164 D CB -0.623 40.218 40.800 0.068 0.000 0.641 164 D HN 0.528 nan 8.370 nan 0.000 0.296 165 S N 3.354 119.137 115.700 0.139 0.000 2.603 165 S HA -0.017 4.468 4.470 0.025 0.000 0.229 165 S C 1.528 176.263 174.600 0.225 0.000 0.972 165 S CA 0.388 58.700 58.200 0.186 0.000 0.935 165 S CB 0.286 63.573 63.200 0.146 0.000 0.769 165 S HN 0.444 nan 8.310 nan 0.000 0.536 166 R N 0.147 120.741 120.500 0.157 0.000 2.535 166 R HA 0.429 4.784 4.340 0.025 0.000 0.323 166 R C -0.393 175.966 176.300 0.099 0.000 0.979 166 R CA 0.054 56.246 56.100 0.153 0.000 1.120 166 R CB 0.239 30.655 30.300 0.194 0.000 1.306 166 R HN 0.319 nan 8.270 nan 0.000 0.540 167 L N 1.623 122.876 121.223 0.051 0.000 2.371 167 L HA 0.520 4.875 4.340 0.025 0.000 0.262 167 L C -2.366 174.483 176.870 -0.035 0.000 1.006 167 L CA -2.278 52.561 54.840 -0.001 0.000 0.818 167 L CB 2.887 44.939 42.059 -0.012 0.000 1.354 167 L HN -0.209 nan 8.230 nan 0.000 0.415 168 P HA 0.117 nan 4.420 nan 0.000 0.271 168 P C -1.033 176.236 177.300 -0.053 0.000 1.216 168 P CA -0.234 62.821 63.100 -0.076 0.000 0.776 168 P CB 1.166 32.783 31.700 -0.138 0.000 0.881 169 S N 1.891 117.621 115.700 0.050 0.000 2.478 169 S HA 0.334 4.818 4.470 0.025 0.000 0.312 169 S C -0.416 174.159 174.600 -0.042 0.000 1.094 169 S CA -0.572 57.627 58.200 -0.003 0.000 1.081 169 S CB 0.911 64.271 63.200 0.266 0.000 1.007 169 S HN 0.371 nan 8.310 nan 0.000 0.475 170 E N 1.867 121.821 120.200 -0.410 0.000 2.238 170 E HA 0.578 4.943 4.350 0.025 0.000 0.267 170 E C -1.483 174.732 176.600 -0.641 0.000 0.887 170 E CA -0.554 55.681 56.400 -0.274 0.000 0.769 170 E CB 1.701 31.345 29.700 -0.094 0.000 1.187 170 E HN 0.413 nan 8.360 nan 0.000 0.416 171 F N 0.620 120.632 119.950 0.104 0.000 2.578 171 F HA 0.196 4.738 4.527 0.025 0.000 0.311 171 F C -0.042 175.794 175.800 0.059 0.000 1.094 171 F CA -1.101 56.925 58.000 0.044 0.000 0.923 171 F CB 1.558 40.552 39.000 -0.011 0.000 1.230 171 F HN 0.269 nan 8.300 nan 0.000 0.450 172 D N 2.935 123.472 120.400 0.230 0.000 2.339 172 D HA 0.212 4.867 4.640 0.025 0.000 0.256 172 D C 0.337 176.797 176.300 0.267 0.000 1.214 172 D CA 0.350 54.471 54.000 0.203 0.000 0.877 172 D CB 0.965 41.862 40.800 0.162 0.000 1.111 172 D HN 0.580 nan 8.370 nan 0.000 0.478 173 L N 2.779 124.164 121.223 0.269 0.000 2.640 173 L HA 0.030 4.385 4.340 0.025 0.000 0.230 173 L C 2.120 179.224 176.870 0.389 0.000 1.123 173 L CA -0.170 54.879 54.840 0.349 0.000 0.900 173 L CB 0.086 42.300 42.059 0.257 0.000 1.146 173 L HN 0.272 nan 8.230 nan 0.000 0.484 174 S N 1.382 117.251 115.700 0.281 0.000 2.372 174 S HA -0.272 4.213 4.470 0.025 0.000 0.227 174 S C 2.076 176.772 174.600 0.161 0.000 1.044 174 S CA 1.847 60.169 58.200 0.204 0.000 1.050 174 S CB -0.161 63.118 63.200 0.133 0.000 0.901 174 S HN 0.561 nan 8.310 nan 0.000 0.447 175 A N -0.484 122.402 122.820 0.109 0.000 2.206 175 A HA 0.269 4.604 4.320 0.025 0.000 0.211 175 A C 1.415 178.879 177.584 -0.200 0.000 1.158 175 A CA 0.491 52.473 52.037 -0.092 0.000 0.761 175 A CB -0.471 18.378 19.000 -0.252 0.000 0.801 175 A HN 0.490 nan 8.150 nan 0.000 0.473 176 F N -0.700 119.291 119.950 0.068 0.000 2.717 176 F HA 0.356 4.898 4.527 0.025 0.000 0.295 176 F C 0.729 176.564 175.800 0.058 0.000 1.117 176 F CA -0.061 57.978 58.000 0.065 0.000 1.361 176 F CB 0.100 39.144 39.000 0.074 0.000 1.112 176 F HN -0.023 nan 8.300 nan 0.000 0.594 177 L N 0.871 122.240 121.223 0.243 0.000 2.416 177 L HA 0.525 4.880 4.340 0.025 0.000 0.262 177 L C 0.072 176.982 176.870 0.066 0.000 1.093 177 L CA -0.802 54.122 54.840 0.139 0.000 0.801 177 L CB 1.228 43.379 42.059 0.154 0.000 1.191 177 L HN 0.014 nan 8.230 nan 0.000 0.459 178 R N 0.846 121.350 120.500 0.006 0.000 2.808 178 R HA 0.804 5.159 4.340 0.025 0.000 0.272 178 R C -1.063 175.214 176.300 -0.039 0.000 0.995 178 R CA -0.927 55.168 56.100 -0.008 0.000 0.917 178 R CB 1.494 31.780 30.300 -0.023 0.000 1.217 178 R HN 0.544 nan 8.270 nan 0.000 0.471 179 A N 1.226 124.033 122.820 -0.022 0.000 2.498 179 A HA 0.501 4.836 4.320 0.025 0.000 0.239 179 A C 1.034 178.574 177.584 -0.075 0.000 1.068 179 A CA 1.062 53.076 52.037 -0.038 0.000 0.766 179 A CB -0.690 18.301 19.000 -0.015 0.000 1.003 179 A HN 1.363 nan 8.150 nan 0.000 0.497 180 G N 1.307 110.045 108.800 -0.104 0.000 2.475 180 G HA2 -0.087 3.888 3.960 0.025 0.000 0.223 180 G HA3 -0.087 3.888 3.960 0.025 0.000 0.223 180 G C -0.454 174.324 174.900 -0.203 0.000 1.201 180 G CA -0.122 44.903 45.100 -0.125 0.000 0.962 180 G HN 0.894 nan 8.290 nan 0.000 0.586 181 E N 2.076 122.161 120.200 -0.192 0.000 2.316 181 E HA 0.398 4.763 4.350 0.025 0.000 0.275 181 E C 0.261 176.667 176.600 -0.323 0.000 1.029 181 E CA -0.017 56.229 56.400 -0.257 0.000 0.871 181 E CB 0.652 30.251 29.700 -0.168 0.000 1.022 181 E HN 0.477 nan 8.360 nan 0.000 0.418 182 N N 2.021 120.389 118.700 -0.555 0.000 2.405 182 N HA 0.421 5.176 4.740 0.025 0.000 0.285 182 N C -0.719 174.543 175.510 -0.414 0.000 1.262 182 N CA -0.683 52.048 53.050 -0.531 0.000 0.773 182 N CB 2.676 40.689 38.487 -0.790 0.000 1.490 182 N HN 0.193 nan 8.380 nan 0.000 0.486 183 R N 1.323 121.748 120.500 -0.126 0.000 2.532 183 R HA 0.492 4.847 4.340 0.025 0.000 0.297 183 R C -1.260 175.118 176.300 0.129 0.000 0.984 183 R CA -0.467 55.645 56.100 0.020 0.000 0.884 183 R CB 1.072 31.338 30.300 -0.057 0.000 1.182 183 R HN 0.478 nan 8.270 nan 0.000 0.442 184 L N 2.872 124.214 121.223 0.198 0.000 2.343 184 L HA 0.762 5.117 4.340 0.025 0.000 0.275 184 L C -0.250 176.665 176.870 0.074 0.000 1.056 184 L CA -0.934 54.001 54.840 0.158 0.000 0.804 184 L CB 1.929 44.065 42.059 0.128 0.000 1.203 184 L HN 0.745 nan 8.230 nan 0.000 0.440 185 A N 2.677 125.556 122.820 0.099 0.000 2.359 185 A HA 0.746 5.081 4.320 0.025 0.000 0.303 185 A C -1.102 176.758 177.584 0.460 0.000 1.066 185 A CA -0.443 51.576 52.037 -0.030 0.000 0.730 185 A CB 1.565 20.029 19.000 -0.893 0.000 1.211 185 A HN 0.366 nan 8.150 nan 0.000 0.439 186 V N 3.512 123.861 119.914 0.726 0.000 2.483 186 V HA 0.467 4.602 4.120 0.025 0.000 0.297 186 V C -0.116 176.498 176.094 0.866 0.000 1.027 186 V CA -0.298 62.427 62.300 0.708 0.000 0.855 186 V CB 1.603 33.669 31.823 0.404 0.000 0.995 186 V HN 0.967 nan 8.190 nan 0.000 0.424 187 M N 5.996 126.126 119.600 0.882 0.000 2.061 187 M HA 0.561 5.056 4.480 0.025 0.000 0.346 187 M C -1.429 175.129 176.300 0.431 0.000 1.112 187 M CA -0.376 55.268 55.300 0.574 0.000 1.021 187 M CB 1.120 34.097 32.600 0.630 0.000 1.530 187 M HN 0.471 nan 8.290 nan 0.000 0.437 188 V N 6.372 126.498 119.914 0.354 0.000 2.370 188 V HA 0.371 4.506 4.120 0.025 0.000 0.279 188 V C -0.173 176.090 176.094 0.282 0.000 1.029 188 V CA -0.889 61.630 62.300 0.364 0.000 0.870 188 V CB 1.343 33.490 31.823 0.540 0.000 0.984 188 V HN 0.663 nan 8.190 nan 0.000 0.451 189 L N 5.165 126.482 121.223 0.157 0.000 2.292 189 L HA 0.473 4.827 4.340 0.025 0.000 0.284 189 L C 1.419 178.312 176.870 0.039 0.000 1.065 189 L CA 0.262 55.117 54.840 0.025 0.000 0.806 189 L CB 0.902 42.889 42.059 -0.119 0.000 1.175 189 L HN 0.693 nan 8.230 nan 0.000 0.431 190 R N 2.888 123.355 120.500 -0.056 0.000 2.073 190 R HA -0.089 4.266 4.340 0.025 0.000 0.234 190 R C -0.327 175.642 176.300 -0.551 0.000 1.134 190 R CA 1.312 57.124 56.100 -0.478 0.000 0.952 190 R CB 0.234 30.089 30.300 -0.742 0.000 0.850 190 R HN 0.584 nan 8.270 nan 0.000 0.433 191 W N 0.185 121.553 121.300 0.113 0.000 2.606 191 W HA 0.430 5.105 4.660 0.024 0.000 0.332 191 W C -0.394 176.243 176.519 0.197 0.000 1.052 191 W CA -0.795 56.624 57.345 0.123 0.000 1.223 191 W CB 1.800 31.336 29.460 0.125 0.000 1.383 191 W HN 0.033 nan 8.180 nan 0.000 0.524 192 S N -1.103 114.893 115.700 0.492 0.000 2.643 192 S HA 0.188 4.673 4.470 0.025 0.000 0.270 192 S C 0.056 174.923 174.600 0.444 0.000 1.166 192 S CA -0.484 58.015 58.200 0.498 0.000 0.815 192 S CB 1.169 64.633 63.200 0.440 0.000 1.139 192 S HN 0.643 nan 8.310 nan 0.000 0.472 193 D N 0.417 121.080 120.400 0.439 0.000 2.263 193 D HA 0.055 4.709 4.640 0.025 0.000 0.208 193 D C 1.732 178.354 176.300 0.536 0.000 0.971 193 D CA 1.223 55.531 54.000 0.513 0.000 0.867 193 D CB -0.649 40.318 40.800 0.278 0.000 0.929 193 D HN 0.711 nan 8.370 nan 0.000 0.492 194 G N 0.047 109.079 108.800 0.387 0.000 2.443 194 G HA2 -0.241 3.734 3.960 0.025 0.000 0.219 194 G HA3 -0.241 3.734 3.960 0.025 0.000 0.219 194 G C 1.696 176.790 174.900 0.323 0.000 1.131 194 G CA 0.620 45.921 45.100 0.336 0.000 0.775 194 G HN 0.305 nan 8.290 nan 0.000 0.547 195 S N 0.011 115.888 115.700 0.295 0.000 2.419 195 S HA -0.107 4.378 4.470 0.025 0.000 0.233 195 S C 1.895 176.604 174.600 0.182 0.000 1.016 195 S CA 0.725 59.068 58.200 0.239 0.000 0.974 195 S CB -0.376 62.977 63.200 0.255 0.000 0.786 195 S HN 0.517 nan 8.310 nan 0.000 0.492 196 Y N 1.170 121.613 120.300 0.237 0.000 2.497 196 Y HA 0.095 4.660 4.550 0.025 0.000 0.292 196 Y C 1.568 177.587 175.900 0.198 0.000 1.137 196 Y CA 0.592 58.757 58.100 0.109 0.000 1.285 196 Y CB -0.263 38.111 38.460 -0.144 0.000 0.991 196 Y HN 0.212 nan 8.280 nan 0.000 0.556 197 L N -0.387 121.041 121.223 0.343 0.000 2.667 197 L HA 0.151 4.506 4.340 0.025 0.000 0.232 197 L C -0.001 177.018 176.870 0.247 0.000 1.138 197 L CA 0.386 55.384 54.840 0.263 0.000 0.921 197 L CB 0.088 42.308 42.059 0.267 0.000 1.180 197 L HN 0.104 nan 8.230 nan 0.000 0.487 198 E N 0.043 120.401 120.200 0.264 0.000 4.052 198 E HA 0.052 4.417 4.350 0.025 0.000 0.219 198 E C -0.588 176.126 176.600 0.191 0.000 1.166 198 E CA -0.052 56.487 56.400 0.230 0.000 1.338 198 E CB 0.566 30.393 29.700 0.212 0.000 1.212 198 E HN 0.017 nan 8.360 nan 0.000 0.432 199 D N 1.144 121.615 120.400 0.118 0.000 2.722 199 D HA 0.049 4.704 4.640 0.025 0.000 0.239 199 D C -0.253 176.045 176.300 -0.004 0.000 1.249 199 D CA -0.182 53.773 54.000 -0.075 0.000 0.830 199 D CB 0.203 40.706 40.800 -0.495 0.000 1.025 199 D HN 0.054 nan 8.370 nan 0.000 0.486 200 Q N 0.421 120.313 119.800 0.154 0.000 2.421 200 Q HA 0.135 4.490 4.340 0.025 0.000 0.255 200 Q C -0.126 175.991 176.000 0.196 0.000 1.013 200 Q CA 0.033 55.993 55.803 0.262 0.000 0.895 200 Q CB 0.621 29.666 28.738 0.511 0.000 1.271 200 Q HN 0.071 nan 8.270 nan 0.000 0.460 201 D N 2.951 123.492 120.400 0.236 0.000 2.441 201 D HA 0.168 4.823 4.640 0.025 0.000 0.243 201 D C -0.785 175.658 176.300 0.238 0.000 1.257 201 D CA 0.150 54.264 54.000 0.189 0.000 1.027 201 D CB -0.423 40.493 40.800 0.194 0.000 1.084 201 D HN 0.494 nan 8.370 nan 0.000 0.514 202 M N 0.313 120.021 119.600 0.179 0.000 3.147 202 M HA 0.387 4.882 4.480 0.025 0.000 0.276 202 M C -1.278 175.102 176.300 0.134 0.000 1.211 202 M CA -1.167 54.167 55.300 0.058 0.000 0.820 202 M CB 1.000 33.563 32.600 -0.062 0.000 1.621 202 M HN -0.098 nan 8.290 nan 0.000 0.507 203 W N 1.941 123.323 121.300 0.136 0.000 2.193 203 W HA 0.314 4.989 4.660 0.025 0.000 0.338 203 W C 0.251 176.789 176.519 0.032 0.000 1.310 203 W CA 0.019 57.433 57.345 0.115 0.000 1.243 203 W CB 0.314 29.782 29.460 0.013 0.000 1.165 203 W HN 0.280 nan 8.180 nan 0.000 0.566 204 R N 4.656 125.325 120.500 0.282 0.000 2.215 204 R HA 0.437 4.792 4.340 0.025 0.000 0.337 204 R C -0.145 176.164 176.300 0.014 0.000 1.010 204 R CA -0.304 55.883 56.100 0.145 0.000 0.871 204 R CB 0.289 30.741 30.300 0.253 0.000 1.134 204 R HN 0.549 nan 8.270 nan 0.000 0.477 205 M N 0.294 119.791 119.600 -0.173 0.000 2.821 205 M HA 0.533 5.028 4.480 0.025 0.000 0.294 205 M C 0.019 175.966 176.300 -0.588 0.000 1.195 205 M CA -0.855 54.221 55.300 -0.373 0.000 0.784 205 M CB 2.319 34.704 32.600 -0.358 0.000 1.755 205 M HN 0.633 nan 8.290 nan 0.000 0.477 206 S N -1.134 114.076 115.700 -0.817 0.000 2.615 206 S HA 0.971 5.456 4.470 0.025 0.000 0.269 206 S C -0.612 173.482 174.600 -0.845 0.000 1.161 206 S CA -0.160 57.484 58.200 -0.927 0.000 0.817 206 S CB 1.943 64.406 63.200 -1.229 0.000 1.131 206 S HN 1.438 nan 8.310 nan 0.000 0.467 207 G N -0.093 108.462 108.800 -0.408 0.000 2.343 207 G HA2 0.198 4.173 3.960 0.025 0.000 0.465 207 G HA3 0.198 4.173 3.960 0.025 0.000 0.465 207 G C -1.517 173.407 174.900 0.040 0.000 1.282 207 G CA -0.651 44.517 45.100 0.112 0.000 0.996 207 G HN 1.111 nan 8.290 nan 0.000 0.521 208 I N 2.012 122.456 120.570 -0.211 0.000 2.256 208 I HA 0.284 4.469 4.170 0.025 0.000 0.294 208 I C 0.992 176.970 176.117 -0.232 0.000 1.127 208 I CA -0.243 60.814 61.300 -0.405 0.000 1.247 208 I CB -0.102 37.376 38.000 -0.871 0.000 1.460 208 I HN 0.508 nan 8.210 nan 0.000 0.511 209 F N 4.496 124.293 119.950 -0.254 0.000 2.678 209 F HA 0.485 5.027 4.527 0.024 0.000 0.305 209 F C 0.563 176.279 175.800 -0.139 0.000 1.090 209 F CA -0.607 57.277 58.000 -0.193 0.000 1.272 209 F CB 0.026 38.917 39.000 -0.181 0.000 1.060 209 F HN 0.118 nan 8.300 nan 0.000 0.576 210 R N 0.273 120.329 120.500 -0.740 0.000 2.950 210 R HA 0.268 4.623 4.340 0.025 0.000 0.253 210 R C -0.759 175.320 176.300 -0.367 0.000 1.168 210 R CA -1.195 54.587 56.100 -0.531 0.000 1.014 210 R CB 0.603 30.504 30.300 -0.666 0.000 1.228 210 R HN -0.058 nan 8.270 nan 0.000 0.487 211 D N 0.737 120.965 120.400 -0.286 0.000 2.443 211 D HA 0.089 4.744 4.640 0.025 0.000 0.234 211 D C -0.483 175.664 176.300 -0.254 0.000 1.172 211 D CA 0.461 54.333 54.000 -0.213 0.000 0.878 211 D CB 0.678 41.386 40.800 -0.154 0.000 1.204 211 D HN -0.012 nan 8.370 nan 0.000 0.453 212 V N 1.087 120.861 119.914 -0.233 0.000 2.540 212 V HA 0.535 4.670 4.120 0.025 0.000 0.302 212 V C 0.094 176.056 176.094 -0.220 0.000 1.035 212 V CA -0.542 61.557 62.300 -0.335 0.000 0.873 212 V CB 1.644 33.281 31.823 -0.310 0.000 0.992 212 V HN 0.749 nan 8.190 nan 0.000 0.428 213 S N 4.986 120.537 115.700 -0.248 0.000 2.618 213 S HA 0.840 5.325 4.470 0.025 0.000 0.277 213 S C -1.335 173.205 174.600 -0.101 0.000 1.138 213 S CA -0.895 57.230 58.200 -0.126 0.000 0.844 213 S CB 1.893 65.055 63.200 -0.063 0.000 1.127 213 S HN 0.460 nan 8.310 nan 0.000 0.474 214 L N 1.626 122.849 121.223 0.000 0.000 2.333 214 L HA 0.682 5.037 4.340 0.025 0.000 0.280 214 L C -1.301 175.772 176.870 0.339 0.000 1.004 214 L CA -0.845 54.080 54.840 0.142 0.000 0.820 214 L CB 1.680 43.801 42.059 0.103 0.000 1.247 214 L HN 0.692 nan 8.230 nan 0.000 0.416 215 L N 3.385 124.800 121.223 0.321 0.000 2.356 215 L HA 0.469 4.824 4.340 0.025 0.000 0.277 215 L C -0.712 176.225 176.870 0.112 0.000 0.996 215 L CA -0.128 54.842 54.840 0.217 0.000 0.822 215 L CB 1.452 43.577 42.059 0.111 0.000 1.256 215 L HN 0.485 nan 8.230 nan 0.000 0.413 216 H N 5.338 124.214 119.070 -0.323 0.000 2.488 216 H HA 0.486 5.057 4.556 0.025 0.000 0.322 216 H C -1.220 173.897 175.328 -0.351 0.000 1.078 216 H CA -0.549 55.166 56.048 -0.555 0.000 1.260 216 H CB 1.128 29.996 29.762 -1.490 0.000 1.425 216 H HN 0.538 nan 8.280 nan 0.000 0.471 217 K N 5.303 125.293 120.400 -0.682 0.000 2.385 217 K HA 0.373 4.707 4.320 0.025 0.000 0.248 217 K C -2.731 173.599 176.600 -0.450 0.000 0.955 217 K CA -2.035 54.010 56.287 -0.402 0.000 0.816 217 K CB 2.167 34.504 32.500 -0.271 0.000 1.250 217 K HN 0.479 nan 8.250 nan 0.000 0.434 218 P HA 0.154 nan 4.420 nan 0.000 0.274 218 P C 0.491 177.713 177.300 -0.129 0.000 1.246 218 P CA -0.182 62.843 63.100 -0.125 0.000 0.795 218 P CB 0.455 32.123 31.700 -0.053 0.000 1.006 219 T N -0.981 113.525 114.554 -0.080 0.000 2.788 219 T HA -0.049 4.316 4.350 0.025 0.000 0.268 219 T C 0.609 175.267 174.700 -0.069 0.000 1.044 219 T CA 1.598 63.658 62.100 -0.068 0.000 1.139 219 T CB -0.595 68.252 68.868 -0.035 0.000 0.867 219 T HN 0.430 nan 8.240 nan 0.000 0.454 220 T N 3.733 118.253 114.554 -0.056 0.000 2.738 220 T HA 0.443 4.808 4.350 0.025 0.000 0.298 220 T C -0.244 174.414 174.700 -0.070 0.000 0.962 220 T CA -0.594 61.467 62.100 -0.065 0.000 0.972 220 T CB 0.546 69.395 68.868 -0.031 0.000 0.928 220 T HN 0.480 nan 8.240 nan 0.000 0.474 221 Q N 2.475 122.215 119.800 -0.099 0.000 2.511 221 Q HA 0.605 4.960 4.340 0.025 0.000 0.289 221 Q C -1.237 174.698 176.000 -0.108 0.000 1.021 221 Q CA -1.168 54.566 55.803 -0.114 0.000 0.785 221 Q CB 1.335 29.981 28.738 -0.153 0.000 1.472 221 Q HN 0.457 nan 8.270 nan 0.000 0.411 222 I N 2.573 123.060 120.570 -0.139 0.000 2.436 222 I HA 0.021 4.206 4.170 0.025 0.000 0.289 222 I C 0.800 176.820 176.117 -0.162 0.000 1.083 222 I CA 0.048 61.286 61.300 -0.103 0.000 1.372 222 I CB 1.041 38.944 38.000 -0.161 0.000 1.408 222 I HN 0.886 nan 8.210 nan 0.000 0.516 223 S N 2.608 118.320 115.700 0.019 0.000 2.511 223 S HA 0.199 4.683 4.470 0.025 0.000 0.214 223 S C 0.174 174.986 174.600 0.353 0.000 0.997 223 S CA -0.254 58.027 58.200 0.134 0.000 0.908 223 S CB 0.264 63.500 63.200 0.060 0.000 0.803 223 S HN 0.719 nan 8.310 nan 0.000 0.504 224 D N -0.266 120.337 120.400 0.339 0.000 2.683 224 D HA 0.522 5.177 4.640 0.025 0.000 0.246 224 D C -1.928 174.557 176.300 0.309 0.000 1.238 224 D CA -0.689 53.511 54.000 0.333 0.000 0.759 224 D CB 1.563 42.454 40.800 0.152 0.000 1.349 224 D HN 0.182 nan 8.370 nan 0.000 0.426 225 F N -0.778 119.245 119.950 0.121 0.000 2.650 225 F HA 0.598 5.140 4.527 0.025 0.000 0.310 225 F C -1.505 174.382 175.800 0.145 0.000 1.112 225 F CA -0.778 57.221 58.000 -0.001 0.000 0.986 225 F CB 1.172 40.217 39.000 0.075 0.000 1.285 225 F HN 0.250 nan 8.300 nan 0.000 0.440 226 H N 1.499 120.644 119.070 0.126 0.000 2.589 226 H HA 0.749 5.320 4.556 0.025 0.000 0.351 226 H C -1.345 174.026 175.328 0.072 0.000 1.074 226 H CA -1.474 54.581 56.048 0.011 0.000 1.203 226 H CB 2.642 32.395 29.762 -0.015 0.000 1.558 226 H HN 0.610 nan 8.280 nan 0.000 0.522 227 V N 2.425 122.439 119.914 0.167 0.000 2.417 227 V HA 0.640 4.775 4.120 0.025 0.000 0.291 227 V C -0.201 175.889 176.094 -0.006 0.000 1.024 227 V CA -0.532 61.817 62.300 0.082 0.000 0.861 227 V CB 1.264 33.131 31.823 0.072 0.000 0.985 227 V HN 0.920 nan 8.190 nan 0.000 0.436 228 A N 3.410 126.206 122.820 -0.040 0.000 2.380 228 A HA 0.966 5.301 4.320 0.025 0.000 0.315 228 A C -0.142 177.346 177.584 -0.159 0.000 1.101 228 A CA -0.519 51.474 52.037 -0.074 0.000 0.771 228 A CB 1.987 20.964 19.000 -0.038 0.000 1.287 228 A HN 0.928 nan 8.150 nan 0.000 0.436 229 T N -0.133 114.309 114.554 -0.186 0.000 2.949 229 T HA 0.720 5.085 4.350 0.025 0.000 0.300 229 T C -0.563 173.938 174.700 -0.332 0.000 0.988 229 T CA -0.679 61.216 62.100 -0.342 0.000 0.993 229 T CB 0.906 69.469 68.868 -0.508 0.000 0.984 229 T HN 0.715 nan 8.240 nan 0.000 0.442 230 R N 1.930 122.161 120.500 -0.449 0.000 2.832 230 R HA 0.849 5.204 4.340 0.025 0.000 0.271 230 R C -1.159 174.770 176.300 -0.618 0.000 0.996 230 R CA -0.783 55.132 56.100 -0.309 0.000 0.977 230 R CB 1.607 31.834 30.300 -0.121 0.000 1.168 230 R HN 0.558 nan 8.270 nan 0.000 0.482 231 F N 0.029 119.962 119.950 -0.029 0.000 2.620 231 F HA 0.356 4.896 4.527 0.023 0.000 0.320 231 F C 0.355 176.027 175.800 -0.214 0.000 1.069 231 F CA -1.116 56.817 58.000 -0.113 0.000 0.953 231 F CB 1.178 40.022 39.000 -0.260 0.000 1.322 231 F HN 0.563 nan 8.300 nan 0.000 0.479 232 N N -0.094 118.592 118.700 -0.024 0.000 2.366 232 N HA 0.056 4.811 4.740 0.025 0.000 0.277 232 N C 0.433 175.796 175.510 -0.245 0.000 1.275 232 N CA -0.130 52.863 53.050 -0.096 0.000 0.964 232 N CB 0.028 38.487 38.487 -0.047 0.000 1.167 232 N HN 0.663 nan 8.380 nan 0.000 0.568 233 D N -1.689 118.616 120.400 -0.158 0.000 2.218 233 D HA -0.207 4.448 4.640 0.025 0.000 0.204 233 D C 0.171 176.379 176.300 -0.153 0.000 0.976 233 D CA 1.328 55.231 54.000 -0.160 0.000 0.853 233 D CB -0.502 40.268 40.800 -0.050 0.000 0.939 233 D HN 0.727 nan 8.370 nan 0.000 0.481 234 D N -1.658 118.697 120.400 -0.075 0.000 2.501 234 D HA 0.040 4.695 4.640 0.025 0.000 0.224 234 D C 0.086 176.546 176.300 0.266 0.000 1.202 234 D CA -0.975 53.096 54.000 0.118 0.000 0.829 234 D CB -0.989 39.884 40.800 0.121 0.000 1.023 234 D HN 0.161 nan 8.370 nan 0.000 0.499 235 F N 0.354 120.364 119.950 0.100 0.000 2.953 235 F HA -0.291 4.250 4.527 0.024 0.000 0.292 235 F C 1.648 177.537 175.800 0.149 0.000 0.747 235 F CA 0.806 58.883 58.000 0.129 0.000 1.222 235 F CB -2.446 36.528 39.000 -0.043 0.000 1.457 235 F HN 0.212 nan 8.300 nan 0.000 0.383 236 S N -0.970 114.843 115.700 0.188 0.000 2.528 236 S HA 0.271 4.756 4.470 0.025 0.000 0.219 236 S C 0.637 175.291 174.600 0.091 0.000 0.985 236 S CA 0.008 58.286 58.200 0.131 0.000 0.914 236 S CB 0.367 63.619 63.200 0.087 0.000 0.776 236 S HN 0.452 nan 8.310 nan 0.000 0.526 237 R N 0.187 120.745 120.500 0.096 0.000 2.673 237 R HA 0.802 5.157 4.340 0.025 0.000 0.281 237 R C -1.346 174.977 176.300 0.039 0.000 0.991 237 R CA -0.403 55.719 56.100 0.037 0.000 0.896 237 R CB 2.200 32.501 30.300 0.001 0.000 1.201 237 R HN 0.229 nan 8.270 nan 0.000 0.457 238 A N 1.636 124.422 122.820 -0.057 0.000 2.515 238 A HA 0.732 5.067 4.320 0.025 0.000 0.296 238 A C -1.239 176.261 177.584 -0.140 0.000 1.094 238 A CA -0.696 51.223 52.037 -0.198 0.000 0.718 238 A CB 2.071 20.940 19.000 -0.219 0.000 1.307 238 A HN 0.342 nan 8.150 nan 0.000 0.408 239 V N 1.738 121.544 119.914 -0.181 0.000 2.409 239 V HA 0.398 4.533 4.120 0.025 0.000 0.291 239 V C -0.420 175.610 176.094 -0.107 0.000 1.020 239 V CA -0.326 61.908 62.300 -0.110 0.000 0.848 239 V CB 1.283 33.045 31.823 -0.102 0.000 0.990 239 V HN 0.788 nan 8.190 nan 0.000 0.430 240 L N 4.681 125.881 121.223 -0.039 0.000 2.265 240 L HA 0.560 4.915 4.340 0.025 0.000 0.288 240 L C 0.074 176.903 176.870 -0.068 0.000 1.058 240 L CA 0.163 54.956 54.840 -0.079 0.000 0.809 240 L CB 0.963 43.006 42.059 -0.027 0.000 1.179 240 L HN 0.776 nan 8.230 nan 0.000 0.429 241 E N 4.241 124.397 120.200 -0.072 0.000 2.176 241 E HA 0.644 5.009 4.350 0.025 0.000 0.267 241 E C -1.387 175.206 176.600 -0.012 0.000 0.893 241 E CA -0.775 55.601 56.400 -0.039 0.000 0.761 241 E CB 1.675 31.352 29.700 -0.037 0.000 1.133 241 E HN 0.696 nan 8.360 nan 0.000 0.409 242 A N 4.674 127.494 122.820 0.000 0.000 2.285 242 A HA 0.290 4.625 4.320 0.025 0.000 0.310 242 A C -0.570 177.026 177.584 0.021 0.000 1.266 242 A CA -0.638 51.422 52.037 0.040 0.000 0.832 242 A CB 0.880 19.900 19.000 0.034 0.000 1.163 242 A HN 0.735 nan 8.150 nan 0.000 0.499 243 E N 2.564 122.779 120.200 0.024 0.000 2.229 243 E HA 0.509 4.874 4.350 0.025 0.000 0.283 243 E C -1.219 175.347 176.600 -0.055 0.000 1.030 243 E CA -0.296 56.078 56.400 -0.045 0.000 0.836 243 E CB 1.002 30.643 29.700 -0.098 0.000 1.068 243 E HN 0.371 nan 8.360 nan 0.000 0.401 244 V N 4.816 124.719 119.914 -0.019 0.000 2.604 244 V HA 0.288 4.423 4.120 0.025 0.000 0.305 244 V C -0.414 175.758 176.094 0.131 0.000 1.043 244 V CA -0.791 61.548 62.300 0.064 0.000 0.888 244 V CB 1.733 33.580 31.823 0.040 0.000 0.995 244 V HN 0.754 nan 8.190 nan 0.000 0.429 245 Q N 3.855 123.729 119.800 0.123 0.000 2.348 245 Q HA 0.833 5.188 4.340 0.025 0.000 0.271 245 Q C -0.839 175.219 176.000 0.097 0.000 1.067 245 Q CA -0.893 54.973 55.803 0.105 0.000 0.839 245 Q CB 2.688 31.422 28.738 -0.005 0.000 1.354 245 Q HN 0.814 nan 8.270 nan 0.000 0.447 246 M N -1.018 118.535 119.600 -0.077 0.000 2.716 246 M HA 0.758 5.253 4.480 0.025 0.000 0.307 246 M C -1.311 174.877 176.300 -0.188 0.000 1.223 246 M CA -0.517 54.660 55.300 -0.205 0.000 0.871 246 M CB 1.570 33.822 32.600 -0.582 0.000 1.739 246 M HN 0.505 nan 8.290 nan 0.000 0.475 247 C N 0.614 119.821 119.300 -0.156 0.000 2.707 247 C HA 1.040 5.515 4.460 0.025 0.000 0.313 247 C C 0.476 175.384 174.990 -0.137 0.000 1.209 247 C CA 0.511 59.457 59.018 -0.120 0.000 1.635 247 C CB 1.080 28.779 27.740 -0.068 0.000 2.206 247 C HN 1.398 nan 8.230 nan 0.000 0.485 248 G N 1.761 110.491 108.800 -0.116 0.000 2.384 248 G HA2 0.125 4.100 3.960 0.025 0.000 0.668 248 G HA3 0.125 4.100 3.960 0.025 0.000 0.668 248 G C -1.212 173.615 174.900 -0.121 0.000 1.280 248 G CA -0.539 44.497 45.100 -0.106 0.000 0.992 248 G HN 0.954 nan 8.290 nan 0.000 0.512 249 E N -0.371 119.769 120.200 -0.101 0.000 2.259 249 E HA 0.513 4.878 4.350 0.025 0.000 0.281 249 E C 0.468 176.974 176.600 -0.156 0.000 1.037 249 E CA -0.633 55.703 56.400 -0.106 0.000 0.854 249 E CB 0.486 30.144 29.700 -0.071 0.000 1.051 249 E HN 0.512 nan 8.360 nan 0.000 0.409 250 L N 4.781 125.902 121.223 -0.170 0.000 2.397 250 L HA 0.363 4.718 4.340 0.025 0.000 0.271 250 L C 0.402 177.142 176.870 -0.217 0.000 1.148 250 L CA -0.199 54.516 54.840 -0.209 0.000 0.825 250 L CB 0.509 42.468 42.059 -0.167 0.000 1.117 250 L HN 0.540 nan 8.230 nan 0.000 0.456 251 R N 1.305 121.625 120.500 -0.299 0.000 2.626 251 R HA 0.187 4.541 4.340 0.025 0.000 0.274 251 R C -0.343 175.709 176.300 -0.413 0.000 1.031 251 R CA -0.782 55.039 56.100 -0.465 0.000 0.898 251 R CB 1.527 31.200 30.300 -1.045 0.000 1.222 251 R HN 0.526 nan 8.270 nan 0.000 0.455 252 D N 1.057 121.289 120.400 -0.280 0.000 2.309 252 D HA -0.130 4.525 4.640 0.025 0.000 0.212 252 D C 1.394 177.648 176.300 -0.077 0.000 0.968 252 D CA 1.487 55.413 54.000 -0.123 0.000 0.882 252 D CB 0.187 40.965 40.800 -0.037 0.000 0.918 252 D HN 0.552 nan 8.370 nan 0.000 0.503 253 Y N -0.273 120.038 120.300 0.019 0.000 2.490 253 Y HA 0.287 4.852 4.550 0.025 0.000 0.281 253 Y C 0.747 176.649 175.900 0.002 0.000 1.174 253 Y CA -0.549 57.558 58.100 0.011 0.000 1.295 253 Y CB -0.898 37.571 38.460 0.014 0.000 1.062 253 Y HN -0.209 nan 8.280 nan 0.000 0.522 254 L N 2.659 123.863 121.223 -0.030 0.000 2.439 254 L HA 0.330 4.685 4.340 0.025 0.000 0.269 254 L C 0.259 177.120 176.870 -0.015 0.000 1.179 254 L CA -0.103 54.779 54.840 0.071 0.000 0.828 254 L CB 0.505 42.631 42.059 0.112 0.000 1.106 254 L HN 0.160 nan 8.230 nan 0.000 0.467 255 R N 1.769 122.146 120.500 -0.204 0.000 2.774 255 R HA 0.672 5.027 4.340 0.025 0.000 0.272 255 R C -1.507 174.451 176.300 -0.569 0.000 1.000 255 R CA -0.810 55.008 56.100 -0.469 0.000 0.906 255 R CB 2.267 32.097 30.300 -0.784 0.000 1.227 255 R HN 0.269 nan 8.270 nan 0.000 0.468 256 V N 1.062 120.681 119.914 -0.492 0.000 2.540 256 V HA 0.461 4.596 4.120 0.025 0.000 0.302 256 V C -0.274 175.764 176.094 -0.094 0.000 1.035 256 V CA -0.546 61.574 62.300 -0.301 0.000 0.873 256 V CB 2.258 33.838 31.823 -0.404 0.000 0.992 256 V HN 0.712 nan 8.190 nan 0.000 0.428 257 T N 4.104 118.726 114.554 0.114 0.000 2.797 257 T HA 0.625 4.990 4.350 0.025 0.000 0.279 257 T C -0.588 174.129 174.700 0.028 0.000 0.991 257 T CA -0.360 61.808 62.100 0.113 0.000 0.979 257 T CB 1.675 70.651 68.868 0.181 0.000 0.943 257 T HN 0.343 nan 8.240 nan 0.000 0.444 258 V N 3.758 123.667 119.914 -0.007 0.000 2.448 258 V HA 0.672 4.807 4.120 0.025 0.000 0.295 258 V C 0.020 176.112 176.094 -0.004 0.000 1.025 258 V CA -0.746 61.546 62.300 -0.014 0.000 0.859 258 V CB 1.716 33.519 31.823 -0.034 0.000 0.988 258 V HN 1.050 nan 8.190 nan 0.000 0.431 259 S N 5.318 121.042 115.700 0.039 0.000 2.566 259 S HA 0.879 5.364 4.470 0.025 0.000 0.298 259 S C -1.131 173.471 174.600 0.003 0.000 1.083 259 S CA -0.775 57.417 58.200 -0.014 0.000 0.978 259 S CB 2.155 65.380 63.200 0.041 0.000 1.073 259 S HN 0.578 nan 8.310 nan 0.000 0.491 260 L N 2.056 123.170 121.223 -0.181 0.000 2.356 260 L HA 0.795 5.150 4.340 0.025 0.000 0.277 260 L C -2.020 174.743 176.870 -0.179 0.000 0.996 260 L CA -0.349 54.483 54.840 -0.013 0.000 0.822 260 L CB 1.063 43.135 42.059 0.021 0.000 1.256 260 L HN 0.905 nan 8.230 nan 0.000 0.413 261 W N 3.442 124.847 121.300 0.175 0.000 2.761 261 W HA 0.641 5.316 4.660 0.025 0.000 0.340 261 W C -0.611 176.015 176.519 0.178 0.000 1.072 261 W CA -0.486 56.941 57.345 0.137 0.000 1.215 261 W CB 1.545 31.036 29.460 0.051 0.000 1.420 261 W HN 0.363 nan 8.180 nan 0.000 0.519 262 Q N 2.168 122.138 119.800 0.283 0.000 2.456 262 Q HA 0.511 4.866 4.340 0.025 0.000 0.252 262 Q C 0.530 176.567 176.000 0.061 0.000 1.042 262 Q CA 0.311 56.117 55.803 0.005 0.000 0.766 262 Q CB 0.716 29.361 28.738 -0.155 0.000 1.196 262 Q HN 0.743 nan 8.270 nan 0.000 0.504 263 G N 3.362 112.196 108.800 0.056 0.000 2.591 263 G HA2 -0.351 3.624 3.960 0.025 0.000 0.298 263 G HA3 -0.351 3.624 3.960 0.025 0.000 0.298 263 G C 0.570 175.547 174.900 0.128 0.000 1.195 263 G CA 0.377 45.508 45.100 0.052 0.000 0.989 263 G HN 0.592 nan 8.290 nan 0.000 0.551 264 E N 0.966 121.238 120.200 0.119 0.000 2.479 264 E HA 0.148 4.513 4.350 0.025 0.000 0.193 264 E C 0.469 177.279 176.600 0.349 0.000 1.049 264 E CA 0.468 56.970 56.400 0.170 0.000 0.870 264 E CB 0.128 29.870 29.700 0.071 0.000 0.944 264 E HN 0.371 nan 8.360 nan 0.000 0.492 265 T N 1.236 115.959 114.554 0.282 0.000 2.817 265 T HA 0.090 4.455 4.350 0.025 0.000 0.293 265 T C -0.070 174.698 174.700 0.113 0.000 0.964 265 T CA -0.193 62.018 62.100 0.185 0.000 1.085 265 T CB 1.497 70.411 68.868 0.076 0.000 0.921 265 T HN 0.032 nan 8.240 nan 0.000 0.502 266 Q N 3.263 122.907 119.800 -0.259 0.000 2.314 266 Q HA 0.241 4.596 4.340 0.025 0.000 0.257 266 Q C 0.474 176.214 176.000 -0.433 0.000 0.975 266 Q CA -0.380 54.885 55.803 -0.897 0.000 0.933 266 Q CB 0.668 28.672 28.738 -1.223 0.000 1.195 266 Q HN 0.539 nan 8.270 nan 0.000 0.426 267 V N 3.084 122.804 119.914 -0.322 0.000 2.535 267 V HA 0.154 4.289 4.120 0.025 0.000 0.246 267 V C 0.426 176.417 176.094 -0.173 0.000 1.045 267 V CA 1.438 63.652 62.300 -0.144 0.000 1.058 267 V CB 0.101 31.928 31.823 0.007 0.000 0.689 267 V HN 0.816 nan 8.190 nan 0.000 0.461 268 A N -1.394 121.285 122.820 -0.236 0.000 2.608 268 A HA 0.744 5.079 4.320 0.025 0.000 0.292 268 A C -0.780 176.682 177.584 -0.203 0.000 1.066 268 A CA 0.080 52.010 52.037 -0.178 0.000 0.676 268 A CB 1.829 20.759 19.000 -0.116 0.000 1.277 268 A HN 0.084 nan 8.150 nan 0.000 0.413 269 S N -0.706 114.908 115.700 -0.143 0.000 2.535 269 S HA 0.768 5.253 4.470 0.025 0.000 0.272 269 S C -0.571 173.986 174.600 -0.072 0.000 1.149 269 S CA 0.266 58.396 58.200 -0.116 0.000 0.888 269 S CB 1.507 64.629 63.200 -0.129 0.000 1.110 269 S HN 2.351 nan 8.310 nan 0.000 0.463 270 G N 1.789 110.560 108.800 -0.049 0.000 2.706 270 G HA2 0.674 4.649 3.960 0.025 0.000 0.297 270 G HA3 0.674 4.649 3.960 0.025 0.000 0.297 270 G C -1.331 173.554 174.900 -0.024 0.000 1.403 270 G CA -0.440 44.636 45.100 -0.040 0.000 0.954 270 G HN 0.722 nan 8.290 nan 0.000 0.500 271 T N -0.271 114.271 114.554 -0.020 0.000 2.900 271 T HA 0.862 5.227 4.350 0.025 0.000 0.295 271 T C -0.405 174.262 174.700 -0.056 0.000 1.044 271 T CA -0.041 62.053 62.100 -0.009 0.000 0.995 271 T CB 1.883 70.784 68.868 0.056 0.000 1.072 271 T HN 1.586 nan 8.240 nan 0.000 0.473 272 A N 3.076 125.826 122.820 -0.117 0.000 2.605 272 A HA 0.878 5.213 4.320 0.025 0.000 0.294 272 A C -3.121 174.324 177.584 -0.231 0.000 1.062 272 A CA -1.523 50.428 52.037 -0.142 0.000 0.682 272 A CB 1.249 20.162 19.000 -0.146 0.000 1.278 272 A HN 0.530 nan 8.150 nan 0.000 0.410 273 P HA 0.513 nan 4.420 nan 0.000 0.276 273 P C -0.550 176.614 177.300 -0.226 0.000 1.261 273 P CA -0.223 62.776 63.100 -0.169 0.000 0.800 273 P CB 0.327 31.993 31.700 -0.055 0.000 1.066 274 F N -0.066 119.844 119.950 -0.066 0.000 2.496 274 F HA 0.452 4.994 4.527 0.024 0.000 0.344 274 F C 1.515 177.297 175.800 -0.030 0.000 1.155 274 F CA 1.641 59.612 58.000 -0.048 0.000 1.302 274 F CB 0.068 39.035 39.000 -0.054 0.000 1.159 274 F HN 0.574 nan 8.300 nan 0.000 0.595 275 G N 1.542 110.454 108.800 0.187 0.000 2.486 275 G HA2 0.385 4.360 3.960 0.025 0.000 0.220 275 G HA3 0.385 4.360 3.960 0.025 0.000 0.220 275 G C -0.493 174.458 174.900 0.085 0.000 1.313 275 G CA -0.696 44.473 45.100 0.115 0.000 1.187 275 G HN 1.025 nan 8.290 nan 0.000 0.599 276 G N 0.654 109.526 108.800 0.120 0.000 2.580 276 G HA2 0.698 4.673 3.960 0.025 0.000 0.278 276 G HA3 0.698 4.673 3.960 0.025 0.000 0.278 276 G C 0.452 175.396 174.900 0.074 0.000 1.212 276 G CA -0.015 45.146 45.100 0.101 0.000 0.939 276 G HN 1.104 nan 8.290 nan 0.000 0.513 277 E N -0.807 119.430 120.200 0.061 0.000 2.422 277 E HA 0.155 4.520 4.350 0.025 0.000 0.260 277 E C -0.085 176.541 176.600 0.044 0.000 1.108 277 E CA -0.517 55.908 56.400 0.041 0.000 0.943 277 E CB 0.848 30.568 29.700 0.033 0.000 0.961 277 E HN 0.301 nan 8.360 nan 0.000 0.443 278 I N 2.025 122.608 120.570 0.022 0.000 2.775 278 I HA -0.153 4.032 4.170 0.025 0.000 0.290 278 I C 0.893 177.021 176.117 0.019 0.000 1.203 278 I CA 0.087 61.392 61.300 0.008 0.000 1.433 278 I CB 0.326 38.327 38.000 0.000 0.000 1.354 278 I HN 0.640 nan 8.210 nan 0.000 0.579 279 I N 3.629 124.204 120.570 0.007 0.000 3.194 279 I HA 0.080 4.265 4.170 0.025 0.000 0.271 279 I C 0.497 176.616 176.117 0.003 0.000 1.150 279 I CA 0.951 62.266 61.300 0.025 0.000 1.440 279 I CB -0.675 37.341 38.000 0.028 0.000 1.276 279 I HN 0.682 nan 8.210 nan 0.000 0.457 280 D N -1.233 119.153 120.400 -0.023 0.000 2.921 280 D HA 0.121 4.775 4.640 0.025 0.000 0.329 280 D C 0.347 176.630 176.300 -0.027 0.000 1.293 280 D CA -0.400 53.588 54.000 -0.020 0.000 0.964 280 D CB 0.489 41.277 40.800 -0.020 0.000 1.435 280 D HN -0.267 nan 8.370 nan 0.000 0.548 281 E N -1.074 119.112 120.200 -0.023 0.000 2.333 281 E HA -0.020 4.345 4.350 0.025 0.000 0.198 281 E C 1.316 177.897 176.600 -0.032 0.000 1.007 281 E CA 0.862 57.248 56.400 -0.023 0.000 0.845 281 E CB -0.018 29.671 29.700 -0.017 0.000 0.766 281 E HN 0.204 nan 8.360 nan 0.000 0.507 282 R N -0.411 120.061 120.500 -0.046 0.000 2.334 282 R HA 0.291 4.646 4.340 0.025 0.000 0.216 282 R C 0.833 177.090 176.300 -0.072 0.000 0.905 282 R CA 0.709 56.775 56.100 -0.058 0.000 1.064 282 R CB 0.678 30.938 30.300 -0.067 0.000 1.046 282 R HN 0.207 nan 8.270 nan 0.000 0.508 283 G N -0.654 108.104 108.800 -0.070 0.000 2.341 283 G HA2 -0.057 3.918 3.960 0.025 0.000 0.196 283 G HA3 -0.057 3.918 3.960 0.025 0.000 0.196 283 G C -0.351 174.493 174.900 -0.094 0.000 1.231 283 G CA -0.620 44.438 45.100 -0.070 0.000 1.155 283 G HN 0.456 nan 8.290 nan 0.000 0.529 284 G N -2.009 106.730 108.800 -0.101 0.000 3.022 284 G HA2 0.643 4.618 3.960 0.025 0.000 0.284 284 G HA3 0.643 4.618 3.960 0.025 0.000 0.284 284 G C -1.640 173.160 174.900 -0.168 0.000 1.375 284 G CA -0.716 44.325 45.100 -0.098 0.000 0.902 284 G HN 0.776 nan 8.290 nan 0.000 0.538 285 Y N 1.113 121.423 120.300 0.018 0.000 2.504 285 Y HA 0.423 4.987 4.550 0.024 0.000 0.351 285 Y C 1.471 177.390 175.900 0.032 0.000 0.988 285 Y CA 0.175 58.288 58.100 0.021 0.000 1.239 285 Y CB 1.613 40.091 38.460 0.029 0.000 1.128 285 Y HN 0.552 nan 8.280 nan 0.000 0.525 286 A N 1.781 124.665 122.820 0.105 0.000 2.121 286 A HA -0.141 4.194 4.320 0.025 0.000 0.218 286 A C 1.345 178.989 177.584 0.100 0.000 1.154 286 A CA 1.411 53.498 52.037 0.083 0.000 0.679 286 A CB -0.287 18.724 19.000 0.019 0.000 0.795 286 A HN 0.781 nan 8.150 nan 0.000 0.458 287 D N -1.026 119.430 120.400 0.094 0.000 2.388 287 D HA 0.154 4.809 4.640 0.025 0.000 0.221 287 D C 0.493 176.843 176.300 0.084 0.000 1.133 287 D CA -0.057 53.908 54.000 -0.059 0.000 0.831 287 D CB 0.021 40.773 40.800 -0.079 0.000 0.962 287 D HN 0.380 nan 8.370 nan 0.000 0.502 288 R N -0.834 119.855 120.500 0.315 0.000 2.836 288 R HA 0.754 5.109 4.340 0.025 0.000 0.269 288 R C -1.631 174.846 176.300 0.294 0.000 1.010 288 R CA -1.146 55.147 56.100 0.322 0.000 0.930 288 R CB 2.996 33.352 30.300 0.092 0.000 1.218 288 R HN -0.022 nan 8.270 nan 0.000 0.473 289 V N 0.150 120.123 119.914 0.098 0.000 3.077 289 V HA 0.464 4.599 4.120 0.025 0.000 0.299 289 V C -1.552 174.503 176.094 -0.065 0.000 1.276 289 V CA -0.315 61.955 62.300 -0.051 0.000 0.993 289 V CB 2.772 34.434 31.823 -0.268 0.000 1.076 289 V HN 0.803 nan 8.190 nan 0.000 0.434 290 T N 7.258 121.780 114.554 -0.053 0.000 2.772 290 T HA 0.577 4.942 4.350 0.025 0.000 0.288 290 T C -0.823 173.844 174.700 -0.055 0.000 0.994 290 T CA -0.372 61.701 62.100 -0.044 0.000 0.951 290 T CB 0.902 69.757 68.868 -0.021 0.000 0.933 290 T HN 0.432 nan 8.240 nan 0.000 0.447 291 L N 3.673 124.862 121.223 -0.057 0.000 2.322 291 L HA 0.570 4.925 4.340 0.025 0.000 0.279 291 L C 0.457 177.302 176.870 -0.043 0.000 1.036 291 L CA -0.387 54.419 54.840 -0.057 0.000 0.807 291 L CB 1.365 43.388 42.059 -0.060 0.000 1.226 291 L HN 0.545 nan 8.230 nan 0.000 0.433 292 R N 3.724 124.198 120.500 -0.043 0.000 2.439 292 R HA 0.691 5.046 4.340 0.025 0.000 0.310 292 R C -1.113 175.161 176.300 -0.043 0.000 0.955 292 R CA -0.535 55.540 56.100 -0.041 0.000 0.853 292 R CB 1.930 32.207 30.300 -0.039 0.000 1.171 292 R HN 0.468 nan 8.270 nan 0.000 0.449 293 L N 2.855 124.052 121.223 -0.042 0.000 2.341 293 L HA 0.461 4.816 4.340 0.025 0.000 0.278 293 L C -0.304 176.539 176.870 -0.046 0.000 1.005 293 L CA -1.060 53.754 54.840 -0.045 0.000 0.818 293 L CB 1.757 43.792 42.059 -0.040 0.000 1.259 293 L HN 0.497 nan 8.230 nan 0.000 0.418 294 N N 2.353 121.020 118.700 -0.055 0.000 2.499 294 N HA 0.367 5.122 4.740 0.025 0.000 0.281 294 N C -0.864 174.598 175.510 -0.081 0.000 1.098 294 N CA -0.219 52.794 53.050 -0.062 0.000 0.979 294 N CB 2.626 41.080 38.487 -0.056 0.000 1.121 294 N HN 0.194 nan 8.380 nan 0.000 0.466 295 V N 2.398 122.248 119.914 -0.106 0.000 2.443 295 V HA 0.173 4.308 4.120 0.025 0.000 0.293 295 V C -0.114 175.891 176.094 -0.148 0.000 1.021 295 V CA -0.837 61.358 62.300 -0.175 0.000 0.848 295 V CB 1.817 33.422 31.823 -0.363 0.000 0.998 295 V HN 0.470 nan 8.190 nan 0.000 0.424 296 E N 3.014 123.153 120.200 -0.102 0.000 2.283 296 E HA 0.293 4.658 4.350 0.025 0.000 0.278 296 E C 0.296 176.866 176.600 -0.049 0.000 1.027 296 E CA -0.336 56.030 56.400 -0.057 0.000 0.843 296 E CB 0.603 30.282 29.700 -0.035 0.000 1.062 296 E HN 0.747 nan 8.360 nan 0.000 0.401 297 N N 1.142 119.836 118.700 -0.009 0.000 2.705 297 N HA -0.150 4.605 4.740 0.025 0.000 0.255 297 N C -2.450 173.060 175.510 -0.000 0.000 1.008 297 N CA 0.023 53.084 53.050 0.018 0.000 0.742 297 N CB -0.984 37.516 38.487 0.022 0.000 0.906 297 N HN 0.317 nan 8.380 nan 0.000 0.541 298 P HA 0.018 nan 4.420 nan 0.000 0.269 298 P C -0.418 176.916 177.300 0.057 0.000 1.209 298 P CA 0.320 63.320 63.100 -0.165 0.000 0.776 298 P CB 0.733 32.129 31.700 -0.507 0.000 0.876 299 K N 2.311 122.833 120.400 0.203 0.000 2.312 299 K HA 0.301 4.636 4.320 0.025 0.000 0.287 299 K C 0.187 176.956 176.600 0.282 0.000 1.062 299 K CA -0.387 56.014 56.287 0.188 0.000 0.934 299 K CB 0.217 32.794 32.500 0.129 0.000 1.027 299 K HN 0.404 nan 8.250 nan 0.000 0.478 300 L N 2.432 123.748 121.223 0.154 0.000 2.399 300 L HA 0.341 4.696 4.340 0.025 0.000 0.266 300 L C -0.110 176.849 176.870 0.148 0.000 1.114 300 L CA -0.836 54.101 54.840 0.162 0.000 0.804 300 L CB 0.477 42.477 42.059 -0.099 0.000 1.146 300 L HN 0.624 nan 8.230 nan 0.000 0.451 301 W N 2.695 124.031 121.300 0.060 0.000 2.438 301 W HA 0.507 5.181 4.660 0.024 0.000 0.324 301 W C -0.067 176.410 176.519 -0.069 0.000 1.119 301 W CA 0.070 57.435 57.345 0.033 0.000 1.221 301 W CB 1.403 30.934 29.460 0.119 0.000 1.253 301 W HN 0.625 nan 8.180 nan 0.000 0.555 302 S N 2.784 117.953 115.700 -0.884 0.000 2.643 302 S HA 0.640 5.125 4.470 0.025 0.000 0.270 302 S C 0.106 173.914 174.600 -1.320 0.000 1.166 302 S CA -0.356 57.354 58.200 -0.817 0.000 0.815 302 S CB 1.066 64.086 63.200 -0.300 0.000 1.139 302 S HN 1.009 nan 8.310 nan 0.000 0.472 303 A N 0.460 122.677 122.820 -1.005 0.000 2.015 303 A HA 0.054 4.389 4.320 0.025 0.000 0.219 303 A C 1.765 179.033 177.584 -0.527 0.000 1.163 303 A CA 1.444 52.922 52.037 -0.932 0.000 0.646 303 A CB -0.980 17.345 19.000 -1.125 0.000 0.806 303 A HN 0.864 nan 8.150 nan 0.000 0.448 304 E N -0.704 119.325 120.200 -0.285 0.000 2.072 304 E HA 0.019 4.384 4.350 0.025 0.000 0.190 304 E C -0.219 176.243 176.600 -0.231 0.000 0.982 304 E CA 0.733 57.017 56.400 -0.193 0.000 0.803 304 E CB -0.026 29.688 29.700 0.023 0.000 0.755 304 E HN 0.611 nan 8.360 nan 0.000 0.453 305 I N 1.782 122.194 120.570 -0.264 0.000 2.542 305 I HA 0.158 4.343 4.170 0.025 0.000 0.278 305 I C -2.508 173.391 176.117 -0.363 0.000 1.069 305 I CA -1.947 59.218 61.300 -0.226 0.000 1.100 305 I CB 2.301 40.219 38.000 -0.135 0.000 1.204 305 I HN -0.219 nan 8.210 nan 0.000 0.470 306 P HA 0.100 nan 4.420 nan 0.000 0.220 306 P C -0.632 176.631 177.300 -0.063 0.000 1.806 306 P CA -0.308 62.478 63.100 -0.522 0.000 0.976 306 P CB -0.231 31.310 31.700 -0.264 0.000 1.952 307 N N 1.798 120.495 118.700 -0.005 0.000 2.447 307 N HA 0.101 4.856 4.740 0.025 0.000 0.263 307 N C 0.139 175.853 175.510 0.340 0.000 1.226 307 N CA 0.538 53.665 53.050 0.129 0.000 0.906 307 N CB 0.750 39.312 38.487 0.125 0.000 1.060 307 N HN 0.313 nan 8.380 nan 0.000 0.468 308 L N 2.219 123.575 121.223 0.221 0.000 2.354 308 L HA 0.494 4.849 4.340 0.025 0.000 0.264 308 L C -0.752 176.207 176.870 0.150 0.000 1.008 308 L CA -0.871 54.153 54.840 0.307 0.000 0.819 308 L CB 1.277 43.481 42.059 0.241 0.000 1.339 308 L HN 0.388 nan 8.230 nan 0.000 0.420 309 Y N 0.067 120.519 120.300 0.253 0.000 2.650 309 Y HA 0.663 5.228 4.550 0.026 0.000 0.331 309 Y C -0.240 175.782 175.900 0.203 0.000 1.082 309 Y CA -0.828 57.420 58.100 0.246 0.000 1.171 309 Y CB 1.666 40.333 38.460 0.346 0.000 1.326 309 Y HN 0.372 nan 8.280 nan 0.000 0.513 310 R N 0.921 121.657 120.500 0.394 0.000 2.480 310 R HA 0.805 5.160 4.340 0.025 0.000 0.306 310 R C -1.680 174.811 176.300 0.319 0.000 0.958 310 R CA -0.546 55.720 56.100 0.277 0.000 0.861 310 R CB 1.199 31.608 30.300 0.182 0.000 1.171 310 R HN 0.736 nan 8.270 nan 0.000 0.445 311 A N 3.848 126.798 122.820 0.218 0.000 2.276 311 A HA 0.620 4.955 4.320 0.025 0.000 0.316 311 A C -1.040 176.604 177.584 0.100 0.000 1.229 311 A CA -0.626 51.512 52.037 0.168 0.000 0.851 311 A CB 1.207 20.275 19.000 0.113 0.000 1.165 311 A HN 0.483 nan 8.150 nan 0.000 0.513 312 V N 3.515 123.494 119.914 0.109 0.000 2.448 312 V HA 0.386 4.521 4.120 0.025 0.000 0.295 312 V C -0.394 175.677 176.094 -0.038 0.000 1.025 312 V CA -0.488 61.819 62.300 0.012 0.000 0.859 312 V CB 1.687 33.539 31.823 0.049 0.000 0.988 312 V HN 0.625 nan 8.190 nan 0.000 0.431 313 V N 4.966 124.787 119.914 -0.154 0.000 2.328 313 V HA 0.427 4.562 4.120 0.025 0.000 0.278 313 V C -0.071 175.969 176.094 -0.090 0.000 1.021 313 V CA -0.563 61.629 62.300 -0.180 0.000 0.838 313 V CB 1.371 32.929 31.823 -0.441 0.000 0.999 313 V HN 0.923 nan 8.190 nan 0.000 0.447 314 E N 3.880 124.081 120.200 0.001 0.000 2.166 314 E HA 0.528 4.893 4.350 0.025 0.000 0.275 314 E C -0.993 175.699 176.600 0.153 0.000 0.941 314 E CA -0.848 55.599 56.400 0.077 0.000 0.784 314 E CB 2.579 32.343 29.700 0.107 0.000 1.115 314 E HN 0.496 nan 8.360 nan 0.000 0.399 315 L N 4.411 125.707 121.223 0.121 0.000 2.272 315 L HA 0.416 4.771 4.340 0.025 0.000 0.289 315 L C -0.972 176.009 176.870 0.185 0.000 1.032 315 L CA 0.139 55.047 54.840 0.112 0.000 0.810 315 L CB 0.147 42.260 42.059 0.090 0.000 1.205 315 L HN 0.688 nan 8.230 nan 0.000 0.422 316 H N 0.261 119.373 119.070 0.069 0.000 2.933 316 H HA 0.800 5.371 4.556 0.025 0.000 0.310 316 H C -0.782 174.615 175.328 0.115 0.000 1.351 316 H CA -0.503 55.587 56.048 0.070 0.000 1.137 316 H CB 0.779 30.563 29.762 0.037 0.000 1.853 316 H HN 0.518 nan 8.280 nan 0.000 0.539 317 T N -2.278 112.420 114.554 0.239 0.000 2.927 317 T HA 0.551 4.916 4.350 0.025 0.000 0.281 317 T C 1.411 176.245 174.700 0.224 0.000 0.998 317 T CA -0.420 61.803 62.100 0.205 0.000 1.019 317 T CB 1.519 70.440 68.868 0.087 0.000 1.061 317 T HN 0.933 nan 8.240 nan 0.000 0.518 318 A N 1.147 124.069 122.820 0.171 0.000 2.024 318 A HA -0.109 4.226 4.320 0.025 0.000 0.220 318 A C 1.858 179.512 177.584 0.118 0.000 1.164 318 A CA 1.863 53.985 52.037 0.142 0.000 0.643 318 A CB -1.075 17.997 19.000 0.119 0.000 0.806 318 A HN 0.984 nan 8.150 nan 0.000 0.451 319 D N -2.346 118.098 120.400 0.074 0.000 2.363 319 D HA 0.254 4.909 4.640 0.025 0.000 0.226 319 D C 1.162 177.489 176.300 0.046 0.000 1.020 319 D CA 1.100 55.122 54.000 0.037 0.000 0.892 319 D CB -0.468 40.326 40.800 -0.010 0.000 0.900 319 D HN 0.819 nan 8.370 nan 0.000 0.531 320 G N -0.873 107.987 108.800 0.099 0.000 2.184 320 G HA2 -0.219 3.756 3.960 0.025 0.000 0.206 320 G HA3 -0.219 3.756 3.960 0.025 0.000 0.206 320 G C 0.279 175.196 174.900 0.028 0.000 0.995 320 G CA 0.078 45.204 45.100 0.042 0.000 0.651 320 G HN 0.413 nan 8.290 nan 0.000 0.511 321 T N 1.981 116.572 114.554 0.061 0.000 2.814 321 T HA 0.474 4.839 4.350 0.025 0.000 0.297 321 T C 0.367 175.120 174.700 0.088 0.000 0.956 321 T CA -0.068 62.059 62.100 0.044 0.000 1.123 321 T CB 1.779 70.661 68.868 0.022 0.000 0.902 321 T HN 0.546 nan 8.240 nan 0.000 0.528 322 L N 4.753 126.009 121.223 0.054 0.000 2.416 322 L HA 0.321 4.676 4.340 0.025 0.000 0.272 322 L C 0.786 177.704 176.870 0.080 0.000 1.161 322 L CA 0.409 55.296 54.840 0.079 0.000 0.845 322 L CB 0.142 42.220 42.059 0.032 0.000 1.119 322 L HN 0.700 nan 8.230 nan 0.000 0.464 323 I N 2.424 123.055 120.570 0.101 0.000 2.685 323 I HA 0.133 4.318 4.170 0.025 0.000 0.251 323 I C 0.260 176.403 176.117 0.042 0.000 1.102 323 I CA 0.427 61.768 61.300 0.068 0.000 1.442 323 I CB 0.192 38.239 38.000 0.077 0.000 1.194 323 I HN 0.816 nan 8.210 nan 0.000 0.448 324 E N 0.059 120.286 120.200 0.045 0.000 2.429 324 E HA 0.722 5.087 4.350 0.025 0.000 0.280 324 E C -1.460 175.166 176.600 0.045 0.000 1.068 324 E CA -1.107 55.313 56.400 0.032 0.000 0.837 324 E CB 1.734 31.420 29.700 -0.024 0.000 1.357 324 E HN -0.018 nan 8.360 nan 0.000 0.455 325 A N 0.954 123.825 122.820 0.085 0.000 2.449 325 A HA 0.691 5.026 4.320 0.025 0.000 0.302 325 A C -1.093 176.604 177.584 0.188 0.000 1.048 325 A CA -0.750 51.340 52.037 0.089 0.000 0.708 325 A CB 1.681 20.731 19.000 0.084 0.000 1.274 325 A HN 0.491 nan 8.150 nan 0.000 0.410 326 E N -0.240 119.997 120.200 0.061 0.000 2.339 326 E HA 0.847 5.212 4.350 0.025 0.000 0.262 326 E C -0.510 176.115 176.600 0.042 0.000 0.934 326 E CA -0.531 55.958 56.400 0.148 0.000 0.802 326 E CB 2.405 32.081 29.700 -0.040 0.000 1.275 326 E HN 1.199 nan 8.360 nan 0.000 0.427 327 A N -0.033 122.935 122.820 0.247 0.000 2.601 327 A HA 0.717 5.052 4.320 0.025 0.000 0.291 327 A C -1.122 176.666 177.584 0.341 0.000 1.075 327 A CA -0.447 51.674 52.037 0.141 0.000 0.671 327 A CB 0.775 19.775 19.000 0.001 0.000 1.277 327 A HN 0.853 nan 8.150 nan 0.000 0.417 328 C N -0.472 118.979 119.300 0.252 0.000 3.311 328 C HA 0.811 5.286 4.460 0.025 0.000 0.325 328 C C -1.314 173.778 174.990 0.170 0.000 1.352 328 C CA -0.933 58.237 59.018 0.253 0.000 1.308 328 C CB 1.125 29.042 27.740 0.295 0.000 1.619 328 C HN 0.821 nan 8.230 nan 0.000 0.469 329 D N 1.008 121.492 120.400 0.139 0.000 2.302 329 D HA 0.535 5.190 4.640 0.025 0.000 0.248 329 D C -0.367 175.989 176.300 0.095 0.000 1.094 329 D CA 0.199 54.280 54.000 0.135 0.000 0.897 329 D CB 1.840 42.723 40.800 0.138 0.000 1.200 329 D HN 0.545 nan 8.370 nan 0.000 0.429 330 V N 1.023 121.020 119.914 0.137 0.000 2.540 330 V HA 0.655 4.790 4.120 0.025 0.000 0.302 330 V C 0.540 176.707 176.094 0.122 0.000 1.035 330 V CA -0.823 61.506 62.300 0.049 0.000 0.873 330 V CB 2.044 33.872 31.823 0.009 0.000 0.992 330 V HN 0.611 nan 8.190 nan 0.000 0.428 331 G N 3.016 111.788 108.800 -0.047 0.000 2.487 331 G HA2 0.623 4.598 3.960 0.025 0.000 0.314 331 G HA3 0.623 4.598 3.960 0.025 0.000 0.314 331 G C -1.092 173.877 174.900 0.116 0.000 1.267 331 G CA -0.403 44.761 45.100 0.106 0.000 0.937 331 G HN 0.411 nan 8.290 nan 0.000 0.481 332 F N 3.909 124.059 119.950 0.333 0.000 2.434 332 F HA 0.472 5.013 4.527 0.024 0.000 0.358 332 F C 1.112 177.168 175.800 0.426 0.000 1.136 332 F CA -0.171 58.086 58.000 0.427 0.000 1.157 332 F CB 0.749 40.015 39.000 0.443 0.000 1.167 332 F HN 0.451 nan 8.300 nan 0.000 0.539 333 R N 3.017 123.806 120.500 0.480 0.000 2.663 333 R HA 0.413 4.768 4.340 0.025 0.000 0.267 333 R C -1.875 174.563 176.300 0.230 0.000 1.038 333 R CA -0.787 55.432 56.100 0.198 0.000 0.886 333 R CB 1.622 32.084 30.300 0.270 0.000 1.249 333 R HN 0.604 nan 8.270 nan 0.000 0.463 334 E N 2.119 122.352 120.200 0.056 0.000 2.199 334 E HA 0.493 4.858 4.350 0.025 0.000 0.269 334 E C -1.235 175.430 176.600 0.108 0.000 0.899 334 E CA -0.955 55.562 56.400 0.196 0.000 0.772 334 E CB 2.169 32.045 29.700 0.292 0.000 1.155 334 E HN 0.406 nan 8.360 nan 0.000 0.408 335 V N 5.305 125.280 119.914 0.102 0.000 2.448 335 V HA 0.588 4.723 4.120 0.025 0.000 0.295 335 V C -0.249 175.884 176.094 0.066 0.000 1.025 335 V CA -0.691 61.642 62.300 0.056 0.000 0.859 335 V CB 1.218 33.053 31.823 0.020 0.000 0.988 335 V HN 0.746 nan 8.190 nan 0.000 0.431 336 R N 4.017 124.552 120.500 0.058 0.000 2.710 336 R HA 0.754 5.109 4.340 0.025 0.000 0.270 336 R C -1.996 174.331 176.300 0.045 0.000 1.021 336 R CA -0.954 55.183 56.100 0.062 0.000 0.889 336 R CB 2.016 32.367 30.300 0.084 0.000 1.243 336 R HN 0.500 nan 8.270 nan 0.000 0.464 337 I N 1.063 121.660 120.570 0.045 0.000 2.354 337 I HA 0.359 4.544 4.170 0.025 0.000 0.292 337 I C -0.544 175.596 176.117 0.038 0.000 0.989 337 I CA -0.418 60.903 61.300 0.034 0.000 1.188 337 I CB 1.872 39.894 38.000 0.036 0.000 1.342 337 I HN 0.689 nan 8.210 nan 0.000 0.457 338 E N 5.455 125.673 120.200 0.031 0.000 2.290 338 E HA 0.260 4.625 4.350 0.025 0.000 0.274 338 E C -0.270 176.344 176.600 0.023 0.000 0.889 338 E CA -0.566 55.854 56.400 0.033 0.000 0.760 338 E CB 1.093 30.818 29.700 0.042 0.000 1.206 338 E HN 0.538 nan 8.360 nan 0.000 0.419 339 N N 3.033 121.747 118.700 0.023 0.000 2.708 339 N HA -0.243 4.512 4.740 0.025 0.000 0.249 339 N C 0.438 175.954 175.510 0.010 0.000 1.097 339 N CA 2.131 55.191 53.050 0.016 0.000 0.710 339 N CB -1.147 37.348 38.487 0.014 0.000 1.032 339 N HN 0.958 nan 8.380 nan 0.000 0.551 340 G N -2.433 106.374 108.800 0.012 0.000 2.176 340 G HA2 -0.270 3.704 3.960 0.025 0.000 0.253 340 G HA3 -0.270 3.704 3.960 0.025 0.000 0.253 340 G C -0.117 174.779 174.900 -0.007 0.000 0.979 340 G CA 0.426 45.529 45.100 0.004 0.000 0.641 340 G HN 0.455 nan 8.290 nan 0.000 0.530 341 L N 0.205 121.424 121.223 -0.007 0.000 2.365 341 L HA 0.707 5.062 4.340 0.025 0.000 0.273 341 L C 0.111 176.970 176.870 -0.018 0.000 1.000 341 L CA -1.324 53.503 54.840 -0.021 0.000 0.819 341 L CB 1.898 43.944 42.059 -0.023 0.000 1.284 341 L HN 0.094 nan 8.230 nan 0.000 0.418 342 L N 4.412 125.613 121.223 -0.037 0.000 2.315 342 L HA 0.408 4.763 4.340 0.025 0.000 0.283 342 L C -0.796 176.049 176.870 -0.043 0.000 1.089 342 L CA 0.487 55.306 54.840 -0.036 0.000 0.833 342 L CB 0.189 42.214 42.059 -0.057 0.000 1.170 342 L HN 0.392 nan 8.230 nan 0.000 0.442 343 L N 5.862 127.075 121.223 -0.016 0.000 2.334 343 L HA 0.551 4.906 4.340 0.025 0.000 0.273 343 L C -0.824 176.044 176.870 -0.003 0.000 1.013 343 L CA -0.864 53.973 54.840 -0.006 0.000 0.816 343 L CB 1.940 44.018 42.059 0.033 0.000 1.278 343 L HN 0.541 nan 8.230 nan 0.000 0.431 344 L N 3.551 124.779 121.223 0.009 0.000 2.343 344 L HA 0.481 4.836 4.340 0.025 0.000 0.278 344 L C -0.264 176.615 176.870 0.014 0.000 0.996 344 L CA -0.033 54.822 54.840 0.025 0.000 0.831 344 L CB 0.911 42.992 42.059 0.036 0.000 1.232 344 L HN 0.602 nan 8.230 nan 0.000 0.413 345 N N 4.040 122.601 118.700 -0.231 0.000 2.721 345 N HA -0.215 4.540 4.740 0.025 0.000 0.249 345 N C 0.908 176.020 175.510 -0.663 0.000 1.072 345 N CA 1.353 53.906 53.050 -0.829 0.000 0.710 345 N CB -1.344 36.615 38.487 -0.880 0.000 0.993 345 N HN 1.183 nan 8.380 nan 0.000 0.547 346 G N -2.124 106.592 108.800 -0.141 0.000 2.179 346 G HA2 -0.348 3.627 3.960 0.025 0.000 0.260 346 G HA3 -0.348 3.627 3.960 0.025 0.000 0.260 346 G C -0.087 174.839 174.900 0.044 0.000 0.977 346 G CA 0.890 46.036 45.100 0.076 0.000 0.641 346 G HN 0.399 nan 8.290 nan 0.000 0.533 347 K N 0.738 121.153 120.400 0.025 0.000 2.259 347 K HA 0.550 4.885 4.320 0.025 0.000 0.252 347 K C -2.785 173.782 176.600 -0.055 0.000 0.936 347 K CA -2.275 53.990 56.287 -0.036 0.000 0.810 347 K CB 2.562 34.969 32.500 -0.155 0.000 1.143 347 K HN 0.064 nan 8.250 nan 0.000 0.427 348 P HA 0.207 nan 4.420 nan 0.000 0.276 348 P C -0.134 177.097 177.300 -0.115 0.000 1.243 348 P CA -0.267 62.784 63.100 -0.083 0.000 0.768 348 P CB 0.570 32.225 31.700 -0.075 0.000 0.856 349 L N 3.361 124.512 121.223 -0.121 0.000 2.436 349 L HA 0.280 4.635 4.340 0.025 0.000 0.265 349 L C 0.656 177.443 176.870 -0.138 0.000 1.168 349 L CA -0.650 54.108 54.840 -0.138 0.000 0.815 349 L CB 0.387 42.323 42.059 -0.204 0.000 1.109 349 L HN 0.277 nan 8.230 nan 0.000 0.462 350 L N 4.000 125.160 121.223 -0.106 0.000 2.353 350 L HA 0.415 4.770 4.340 0.025 0.000 0.270 350 L C -0.504 176.320 176.870 -0.077 0.000 1.003 350 L CA -0.211 54.551 54.840 -0.130 0.000 0.862 350 L CB 0.814 42.823 42.059 -0.083 0.000 1.221 350 L HN 0.253 nan 8.230 nan 0.000 0.430 351 I N 4.975 125.437 120.570 -0.181 0.000 2.436 351 I HA 0.181 4.366 4.170 0.025 0.000 0.289 351 I C 0.584 176.668 176.117 -0.055 0.000 1.083 351 I CA 0.252 61.458 61.300 -0.156 0.000 1.372 351 I CB 0.429 38.208 38.000 -0.368 0.000 1.408 351 I HN 0.568 nan 8.210 nan 0.000 0.516 352 R N 4.791 125.341 120.500 0.083 0.000 3.070 352 R HA 0.435 4.790 4.340 0.025 0.000 0.252 352 R C 0.491 176.923 176.300 0.221 0.000 1.370 352 R CA -0.278 55.913 56.100 0.152 0.000 1.482 352 R CB 0.839 31.054 30.300 -0.142 0.000 1.220 352 R HN 0.770 nan 8.270 nan 0.000 0.622 353 G N 0.109 109.014 108.800 0.175 0.000 2.509 353 G HA2 0.589 4.564 3.960 0.025 0.000 0.328 353 G HA3 0.589 4.564 3.960 0.025 0.000 0.328 353 G C -1.292 173.925 174.900 0.528 0.000 1.194 353 G CA -0.458 44.725 45.100 0.139 0.000 0.967 353 G HN 0.225 nan 8.290 nan 0.000 0.488 354 V N 0.084 120.291 119.914 0.488 0.000 3.012 354 V HA 0.462 4.597 4.120 0.025 0.000 0.307 354 V C -1.138 175.110 176.094 0.257 0.000 1.166 354 V CA -1.218 61.260 62.300 0.296 0.000 0.974 354 V CB 2.216 33.925 31.823 -0.189 0.000 1.040 354 V HN 0.764 nan 8.190 nan 0.000 0.428 355 N N 4.304 123.074 118.700 0.115 0.000 2.514 355 N HA 0.429 5.184 4.740 0.025 0.000 0.277 355 N C -0.715 174.621 175.510 -0.290 0.000 1.126 355 N CA -0.275 52.699 53.050 -0.128 0.000 0.978 355 N CB 1.452 39.801 38.487 -0.231 0.000 1.106 355 N HN 0.631 nan 8.380 nan 0.000 0.461 356 R N 2.163 122.457 120.500 -0.342 0.000 2.502 356 R HA 0.202 4.557 4.340 0.025 0.000 0.298 356 R C -0.874 175.186 176.300 -0.401 0.000 1.018 356 R CA -0.556 55.364 56.100 -0.300 0.000 0.899 356 R CB 0.755 30.861 30.300 -0.324 0.000 1.181 356 R HN 0.590 nan 8.270 nan 0.000 0.444 357 H N 2.171 121.111 119.070 -0.217 0.000 2.607 357 H HA 0.090 4.661 4.556 0.025 0.000 0.367 357 H C -0.429 174.908 175.328 0.015 0.000 1.181 357 H CA 0.270 56.283 56.048 -0.057 0.000 1.402 357 H CB 1.275 31.064 29.762 0.045 0.000 1.474 357 H HN 0.551 nan 8.280 nan 0.000 0.596 358 E N 1.892 122.285 120.200 0.322 0.000 1.996 358 E HA 0.098 4.463 4.350 0.025 0.000 0.280 358 E C -0.669 176.090 176.600 0.266 0.000 1.092 358 E CA -0.008 56.508 56.400 0.192 0.000 0.862 358 E CB 0.250 30.075 29.700 0.208 0.000 1.066 358 E HN 0.390 nan 8.360 nan 0.000 0.396 359 H N 1.779 120.922 119.070 0.121 0.000 2.865 359 H HA 0.263 4.834 4.556 0.025 0.000 0.362 359 H C -1.666 173.735 175.328 0.121 0.000 1.114 359 H CA -0.675 55.441 56.048 0.113 0.000 1.208 359 H CB 1.094 30.915 29.762 0.098 0.000 1.727 359 H HN 0.405 nan 8.280 nan 0.000 0.534 360 H N 5.937 124.598 119.070 -0.681 0.000 2.679 360 H HA 0.231 4.801 4.556 0.025 0.000 0.360 360 H C -2.336 172.623 175.328 -0.616 0.000 1.105 360 H CA -2.450 53.349 56.048 -0.416 0.000 1.196 360 H CB 2.810 32.488 29.762 -0.141 0.000 1.636 360 H HN 0.538 nan 8.280 nan 0.000 0.531 361 P HA -0.050 nan 4.420 nan 0.000 0.223 361 P C 1.121 178.315 177.300 -0.176 0.000 1.151 361 P CA 0.705 63.653 63.100 -0.253 0.000 0.787 361 P CB 0.861 32.445 31.700 -0.193 0.000 0.788 362 L N -1.844 119.383 121.223 0.007 0.000 2.388 362 L HA 0.128 4.483 4.340 0.025 0.000 0.209 362 L C 2.142 178.778 176.870 -0.391 0.000 1.061 362 L CA 0.733 55.434 54.840 -0.233 0.000 0.834 362 L CB -0.718 41.094 42.059 -0.413 0.000 1.029 362 L HN -0.031 nan 8.230 nan 0.000 0.473 363 H N -0.568 118.509 119.070 0.012 0.000 2.551 363 H HA 0.293 4.864 4.556 0.025 0.000 0.271 363 H C 1.400 176.627 175.328 -0.169 0.000 0.984 363 H CA 0.289 56.230 56.048 -0.179 0.000 1.164 363 H CB 0.427 29.969 29.762 -0.366 0.000 1.437 363 H HN 0.361 nan 8.280 nan 0.000 0.550 364 G N 1.335 110.050 108.800 -0.143 0.000 2.559 364 G HA2 -0.384 3.591 3.960 0.025 0.000 0.282 364 G HA3 -0.384 3.591 3.960 0.025 0.000 0.282 364 G C 0.665 175.482 174.900 -0.137 0.000 1.177 364 G CA 0.353 45.322 45.100 -0.217 0.000 0.960 364 G HN 0.455 nan 8.290 nan 0.000 0.540 365 Q N -0.074 119.671 119.800 -0.090 0.000 2.198 365 Q HA 0.474 4.829 4.340 0.025 0.000 0.209 365 Q C 0.291 176.388 176.000 0.163 0.000 0.848 365 Q CA -0.129 55.665 55.803 -0.014 0.000 0.974 365 Q CB 1.365 29.975 28.738 -0.214 0.000 1.115 365 Q HN 0.368 nan 8.270 nan 0.000 0.494 366 V N 2.069 122.056 119.914 0.122 0.000 2.530 366 V HA 0.184 4.319 4.120 0.025 0.000 0.282 366 V C 0.167 176.303 176.094 0.070 0.000 1.048 366 V CA 0.118 62.494 62.300 0.127 0.000 0.997 366 V CB 1.015 32.848 31.823 0.017 0.000 0.987 366 V HN 0.325 nan 8.190 nan 0.000 0.477 367 M N 5.492 125.139 119.600 0.079 0.000 2.404 367 M HA 0.508 5.003 4.480 0.025 0.000 0.338 367 M C -0.463 175.782 176.300 -0.092 0.000 1.150 367 M CA -0.446 54.853 55.300 -0.001 0.000 1.016 367 M CB 1.807 34.378 32.600 -0.048 0.000 1.672 367 M HN 0.829 nan 8.290 nan 0.000 0.448 368 D N 0.420 120.773 120.400 -0.078 0.000 2.523 368 D HA 0.224 4.879 4.640 0.025 0.000 0.236 368 D C 0.102 176.376 176.300 -0.043 0.000 1.094 368 D CA -0.455 53.499 54.000 -0.076 0.000 0.942 368 D CB 1.961 42.730 40.800 -0.052 0.000 1.447 368 D HN 0.722 nan 8.370 nan 0.000 0.479 369 E N -0.266 119.921 120.200 -0.021 0.000 2.077 369 E HA -0.247 4.118 4.350 0.025 0.000 0.193 369 E C 1.377 178.017 176.600 0.066 0.000 0.989 369 E CA 1.355 57.771 56.400 0.026 0.000 0.800 369 E CB 0.196 29.925 29.700 0.049 0.000 0.746 369 E HN 0.253 nan 8.360 nan 0.000 0.452 370 Q N 0.094 119.933 119.800 0.065 0.000 2.061 370 Q HA -0.120 4.235 4.340 0.025 0.000 0.204 370 Q C 2.234 178.295 176.000 0.101 0.000 0.984 370 Q CA 2.101 57.954 55.803 0.083 0.000 0.846 370 Q CB -0.849 27.937 28.738 0.080 0.000 0.902 370 Q HN 0.298 nan 8.270 nan 0.000 0.421 371 T N 0.611 115.236 114.554 0.118 0.000 2.821 371 T HA -0.062 4.303 4.350 0.025 0.000 0.267 371 T C 1.871 176.656 174.700 0.142 0.000 1.046 371 T CA 1.135 63.323 62.100 0.147 0.000 1.139 371 T CB -0.133 68.855 68.868 0.200 0.000 0.871 371 T HN 0.210 nan 8.240 nan 0.000 0.454 372 M N 0.556 120.239 119.600 0.138 0.000 2.086 372 M HA -0.096 4.399 4.480 0.025 0.000 0.261 372 M C 2.462 178.879 176.300 0.194 0.000 1.067 372 M CA 1.347 56.795 55.300 0.247 0.000 1.116 372 M CB -0.616 32.157 32.600 0.287 0.000 1.348 372 M HN 0.094 nan 8.290 nan 0.000 0.407 373 V N 0.287 120.258 119.914 0.095 0.000 2.343 373 V HA -0.310 3.825 4.120 0.025 0.000 0.247 373 V C 2.329 178.407 176.094 -0.027 0.000 1.051 373 V CA 2.113 64.403 62.300 -0.016 0.000 1.036 373 V CB -0.884 30.970 31.823 0.051 0.000 0.654 373 V HN 0.567 nan 8.190 nan 0.000 0.451 374 Q N -0.322 119.514 119.800 0.060 0.000 2.096 374 Q HA -0.277 4.077 4.340 0.025 0.000 0.204 374 Q C 1.970 178.042 176.000 0.119 0.000 0.982 374 Q CA 2.209 58.066 55.803 0.089 0.000 0.850 374 Q CB -0.134 28.675 28.738 0.118 0.000 0.901 374 Q HN 0.624 nan 8.270 nan 0.000 0.422 375 D N 0.281 120.766 120.400 0.141 0.000 2.097 375 D HA -0.138 4.517 4.640 0.025 0.000 0.195 375 D C 1.930 178.170 176.300 -0.100 0.000 0.989 375 D CA 1.162 55.236 54.000 0.123 0.000 0.827 375 D CB -0.216 40.638 40.800 0.089 0.000 0.966 375 D HN 0.346 nan 8.370 nan 0.000 0.456 376 I N 0.613 121.117 120.570 -0.110 0.000 2.208 376 I HA -0.245 3.940 4.170 0.025 0.000 0.245 376 I C 2.441 178.410 176.117 -0.246 0.000 1.097 376 I CA 0.675 61.807 61.300 -0.280 0.000 1.363 376 I CB -0.134 37.571 38.000 -0.492 0.000 1.051 376 I HN 0.006 nan 8.210 nan 0.000 0.413 377 L N 0.037 121.148 121.223 -0.186 0.000 2.017 377 L HA -0.232 4.123 4.340 0.025 0.000 0.208 377 L C 2.550 179.486 176.870 0.109 0.000 1.073 377 L CA 1.419 56.244 54.840 -0.025 0.000 0.745 377 L CB -0.504 41.563 42.059 0.013 0.000 0.894 377 L HN 0.279 nan 8.230 nan 0.000 0.432 378 L N -1.095 120.216 121.223 0.148 0.000 2.083 378 L HA -0.238 4.116 4.340 0.025 0.000 0.209 378 L C 2.652 179.701 176.870 0.299 0.000 1.083 378 L CA 1.234 56.255 54.840 0.301 0.000 0.752 378 L CB -0.291 42.069 42.059 0.501 0.000 0.899 378 L HN 0.288 nan 8.230 nan 0.000 0.433 379 M N -0.596 118.991 119.600 -0.022 0.000 2.065 379 M HA -0.249 4.246 4.480 0.025 0.000 0.259 379 M C 2.312 178.722 176.300 0.184 0.000 1.069 379 M CA 1.904 57.136 55.300 -0.112 0.000 1.110 379 M CB -0.328 31.962 32.600 -0.516 0.000 1.328 379 M HN 0.061 nan 8.290 nan 0.000 0.405 380 K N -0.078 120.329 120.400 0.013 0.000 2.097 380 K HA -0.186 4.149 4.320 0.025 0.000 0.206 380 K C 1.971 178.594 176.600 0.039 0.000 1.049 380 K CA 1.350 57.553 56.287 -0.141 0.000 0.933 380 K CB -0.247 31.997 32.500 -0.427 0.000 0.717 380 K HN 0.467 nan 8.250 nan 0.000 0.442 381 Q N 0.372 120.360 119.800 0.313 0.000 2.291 381 Q HA -0.062 4.293 4.340 0.025 0.000 0.206 381 Q C 0.899 177.225 176.000 0.543 0.000 0.976 381 Q CA 0.800 56.895 55.803 0.487 0.000 0.875 381 Q CB 0.085 29.074 28.738 0.417 0.000 0.927 381 Q HN 0.284 nan 8.270 nan 0.000 0.450 382 N N 0.596 119.563 118.700 0.444 0.000 2.279 382 N HA 0.043 4.798 4.740 0.025 0.000 0.226 382 N C -0.619 175.004 175.510 0.189 0.000 1.126 382 N CA 0.035 53.336 53.050 0.419 0.000 0.846 382 N CB 0.649 39.469 38.487 0.555 0.000 1.050 382 N HN 0.165 nan 8.380 nan 0.000 0.502 383 N N 0.151 118.972 118.700 0.201 0.000 2.776 383 N HA -0.183 4.572 4.740 0.025 0.000 0.250 383 N C -0.926 174.494 175.510 -0.150 0.000 1.112 383 N CA 0.777 53.894 53.050 0.111 0.000 0.733 383 N CB -1.778 36.694 38.487 -0.025 0.000 1.097 383 N HN 0.247 nan 8.380 nan 0.000 0.558 384 F N 1.034 121.019 119.950 0.058 0.000 2.385 384 F HA 0.325 4.867 4.527 0.024 0.000 0.336 384 F C 1.718 177.520 175.800 0.004 0.000 1.100 384 F CA -0.617 57.397 58.000 0.024 0.000 1.116 384 F CB 0.891 39.881 39.000 -0.016 0.000 1.166 384 F HN 0.045 nan 8.300 nan 0.000 0.511 385 N N 0.749 119.570 118.700 0.202 0.000 2.160 385 N HA 0.459 5.214 4.740 0.025 0.000 0.226 385 N C -0.861 174.710 175.510 0.102 0.000 1.256 385 N CA -0.048 53.050 53.050 0.080 0.000 0.890 385 N CB 0.768 39.338 38.487 0.138 0.000 1.116 385 N HN 0.479 nan 8.380 nan 0.000 0.517 386 A N -0.622 122.329 122.820 0.217 0.000 2.612 386 A HA 0.759 5.094 4.320 0.025 0.000 0.293 386 A C -1.807 176.006 177.584 0.382 0.000 1.075 386 A CA -0.695 51.533 52.037 0.318 0.000 0.680 386 A CB 1.742 20.945 19.000 0.339 0.000 1.279 386 A HN 0.256 nan 8.150 nan 0.000 0.411 387 V N 0.939 121.129 119.914 0.460 0.000 2.888 387 V HA 0.794 4.929 4.120 0.025 0.000 0.309 387 V C -0.647 175.597 176.094 0.250 0.000 1.114 387 V CA -0.680 61.845 62.300 0.375 0.000 0.940 387 V CB 1.872 33.848 31.823 0.255 0.000 1.021 387 V HN 1.149 nan 8.190 nan 0.000 0.426 388 R N 4.926 125.405 120.500 -0.034 0.000 2.393 388 R HA 0.494 4.849 4.340 0.025 0.000 0.310 388 R C -0.753 175.407 176.300 -0.234 0.000 0.968 388 R CA -0.446 55.440 56.100 -0.357 0.000 0.867 388 R CB 1.144 30.986 30.300 -0.763 0.000 1.124 388 R HN 0.802 nan 8.270 nan 0.000 0.450 389 C N 4.531 123.720 119.300 -0.184 0.000 2.896 389 C HA 0.123 4.597 4.460 0.025 0.000 0.499 389 C C 0.470 175.174 174.990 -0.476 0.000 1.022 389 C CA -0.429 58.429 59.018 -0.267 0.000 1.127 389 C CB -1.998 25.701 27.740 -0.067 0.000 1.452 389 C HN 0.743 nan 8.230 nan 0.000 0.580 390 S N 1.705 116.991 115.700 -0.690 0.000 2.481 390 S HA 0.161 4.646 4.470 0.025 0.000 0.282 390 S C -0.161 173.530 174.600 -1.515 0.000 1.243 390 S CA 0.197 57.712 58.200 -1.141 0.000 1.078 390 S CB 0.098 62.593 63.200 -1.175 0.000 0.916 390 S HN 0.732 nan 8.310 nan 0.000 0.495 391 H N 3.808 122.266 119.070 -1.020 0.000 2.439 391 H HA 0.334 4.905 4.556 0.025 0.000 0.228 391 H C -1.166 174.025 175.328 -0.229 0.000 1.423 391 H CA -0.356 55.474 56.048 -0.362 0.000 1.386 391 H CB -0.092 29.671 29.762 0.002 0.000 1.641 391 H HN 0.892 nan 8.280 nan 0.000 0.508 392 Y N -2.509 117.896 120.300 0.174 0.000 2.765 392 Y HA 0.369 4.934 4.550 0.025 0.000 0.350 392 Y C -3.322 172.688 175.900 0.182 0.000 1.196 392 Y CA -2.991 55.222 58.100 0.188 0.000 1.119 392 Y CB -0.018 38.560 38.460 0.196 0.000 1.368 392 Y HN -0.046 nan 8.280 nan 0.000 0.463 393 P HA 0.157 nan 4.420 nan 0.000 0.268 393 P C -0.601 176.992 177.300 0.488 0.000 1.205 393 P CA 0.139 63.491 63.100 0.421 0.000 0.771 393 P CB 0.576 32.457 31.700 0.300 0.000 0.858 394 N N 0.662 119.665 118.700 0.505 0.000 2.434 394 N HA 0.078 4.833 4.740 0.025 0.000 0.266 394 N C 0.183 175.949 175.510 0.426 0.000 1.223 394 N CA -0.561 52.706 53.050 0.362 0.000 0.972 394 N CB 0.333 38.832 38.487 0.020 0.000 1.207 394 N HN 0.604 nan 8.380 nan 0.000 0.525 395 H N 2.158 121.341 119.070 0.188 0.000 3.038 395 H HA -0.016 4.555 4.556 0.025 0.000 0.338 395 H C -1.605 173.896 175.328 0.287 0.000 1.041 395 H CA -0.668 55.475 56.048 0.158 0.000 1.394 395 H CB 0.954 30.775 29.762 0.098 0.000 1.357 395 H HN 0.432 nan 8.280 nan 0.000 0.600 396 P HA -0.193 nan 4.420 nan 0.000 0.218 396 P C 1.834 179.454 177.300 0.533 0.000 1.148 396 P CA 0.696 64.054 63.100 0.429 0.000 0.822 396 P CB 0.226 32.032 31.700 0.177 0.000 0.784 397 L N -1.032 120.574 121.223 0.638 0.000 2.201 397 L HA -0.042 4.313 4.340 0.025 0.000 0.212 397 L C 2.401 179.434 176.870 0.271 0.000 1.105 397 L CA 1.377 56.442 54.840 0.375 0.000 0.775 397 L CB -1.334 40.875 42.059 0.249 0.000 0.913 397 L HN 0.014 nan 8.230 nan 0.000 0.440 398 W N -0.549 120.780 121.300 0.048 0.000 2.338 398 W HA -0.334 4.341 4.660 0.024 0.000 0.304 398 W C 2.011 178.386 176.519 -0.240 0.000 1.212 398 W CA 1.859 59.102 57.345 -0.169 0.000 1.264 398 W CB -0.328 28.924 29.460 -0.346 0.000 1.142 398 W HN 0.263 nan 8.180 nan 0.000 0.512 399 Y N 0.638 120.873 120.300 -0.108 0.000 2.242 399 Y HA -0.194 4.371 4.550 0.025 0.000 0.291 399 Y C 2.866 178.554 175.900 -0.353 0.000 1.137 399 Y CA 2.071 59.900 58.100 -0.452 0.000 1.181 399 Y CB -1.239 36.627 38.460 -0.989 0.000 0.989 399 Y HN -0.227 nan 8.280 nan 0.000 0.527 400 T N 0.739 115.312 114.554 0.032 0.000 2.684 400 T HA -0.177 4.188 4.350 0.025 0.000 0.267 400 T C 1.982 176.721 174.700 0.065 0.000 1.036 400 T CA 1.515 63.707 62.100 0.152 0.000 1.148 400 T CB -0.552 68.452 68.868 0.226 0.000 0.863 400 T HN 0.237 nan 8.240 nan 0.000 0.436 401 L N 0.217 121.434 121.223 -0.010 0.000 2.093 401 L HA -0.092 4.263 4.340 0.025 0.000 0.208 401 L C 2.869 179.718 176.870 -0.035 0.000 1.085 401 L CA 0.872 55.728 54.840 0.025 0.000 0.755 401 L CB -0.714 41.329 42.059 -0.027 0.000 0.904 401 L HN 0.378 nan 8.230 nan 0.000 0.435 402 C N -0.196 118.921 119.300 -0.306 0.000 2.440 402 C HA -0.125 4.349 4.460 0.025 0.000 0.278 402 C C 2.414 177.450 174.990 0.076 0.000 1.295 402 C CA 0.381 59.253 59.018 -0.243 0.000 1.738 402 C CB -0.740 26.745 27.740 -0.425 0.000 1.987 402 C HN 0.535 nan 8.230 nan 0.000 0.492 403 D N 0.447 120.898 120.400 0.084 0.000 2.144 403 D HA -0.096 4.559 4.640 0.025 0.000 0.199 403 D C 2.386 178.893 176.300 0.344 0.000 0.984 403 D CA 1.201 55.332 54.000 0.218 0.000 0.834 403 D CB -0.312 40.579 40.800 0.151 0.000 0.955 403 D HN 0.532 nan 8.370 nan 0.000 0.465 404 R N -1.166 119.429 120.500 0.160 0.000 2.140 404 R HA 0.047 4.401 4.340 0.025 0.000 0.213 404 R C 1.918 178.184 176.300 -0.057 0.000 1.059 404 R CA 0.358 56.488 56.100 0.051 0.000 1.000 404 R CB -0.012 30.243 30.300 -0.075 0.000 0.910 404 R HN 0.242 nan 8.270 nan 0.000 0.455 405 Y N -0.041 120.272 120.300 0.020 0.000 2.448 405 Y HA 0.202 4.767 4.550 0.024 0.000 0.289 405 Y C 0.986 176.819 175.900 -0.111 0.000 1.114 405 Y CA 0.860 58.945 58.100 -0.025 0.000 1.235 405 Y CB 0.702 39.120 38.460 -0.070 0.000 1.045 405 Y HN 0.202 nan 8.280 nan 0.000 0.554 406 G N 1.060 109.895 108.800 0.058 0.000 2.780 406 G HA2 -0.117 3.858 3.960 0.025 0.000 0.364 406 G HA3 -0.117 3.858 3.960 0.025 0.000 0.364 406 G C -1.193 173.563 174.900 -0.240 0.000 1.045 406 G CA -0.584 44.422 45.100 -0.156 0.000 1.202 406 G HN 0.151 nan 8.290 nan 0.000 0.534 407 L N 1.239 122.395 121.223 -0.112 0.000 2.445 407 L HA 0.512 4.867 4.340 0.025 0.000 0.262 407 L C -0.344 176.533 176.870 0.012 0.000 0.974 407 L CA -1.416 53.317 54.840 -0.179 0.000 0.822 407 L CB 1.858 43.837 42.059 -0.132 0.000 1.339 407 L HN 0.365 nan 8.230 nan 0.000 0.409 408 Y N 1.799 122.239 120.300 0.233 0.000 2.359 408 Y HA 0.380 4.946 4.550 0.027 0.000 0.330 408 Y C 0.268 176.305 175.900 0.228 0.000 1.143 408 Y CA -0.501 57.768 58.100 0.282 0.000 1.318 408 Y CB 0.939 39.544 38.460 0.241 0.000 1.234 408 Y HN 0.100 nan 8.280 nan 0.000 0.522 409 V N 3.892 124.001 119.914 0.325 0.000 2.604 409 V HA 0.397 4.532 4.120 0.025 0.000 0.305 409 V C -0.673 175.511 176.094 0.148 0.000 1.043 409 V CA -1.102 61.330 62.300 0.219 0.000 0.888 409 V CB 2.073 33.984 31.823 0.147 0.000 0.995 409 V HN 0.456 nan 8.190 nan 0.000 0.429 410 V N 3.224 123.191 119.914 0.090 0.000 2.333 410 V HA 0.322 4.457 4.120 0.025 0.000 0.274 410 V C -0.275 175.858 176.094 0.066 0.000 1.028 410 V CA -0.336 61.968 62.300 0.007 0.000 0.851 410 V CB 1.404 33.126 31.823 -0.168 0.000 1.000 410 V HN 0.891 nan 8.190 nan 0.000 0.456 411 D N 4.189 124.671 120.400 0.136 0.000 2.249 411 D HA 0.335 4.990 4.640 0.025 0.000 0.246 411 D C -0.264 176.234 176.300 0.330 0.000 1.114 411 D CA -0.105 54.074 54.000 0.298 0.000 0.854 411 D CB 1.304 42.325 40.800 0.369 0.000 1.132 411 D HN 0.697 nan 8.370 nan 0.000 0.461 412 E N 2.020 122.377 120.200 0.262 0.000 2.234 412 E HA 0.621 4.986 4.350 0.025 0.000 0.266 412 E C -1.089 175.651 176.600 0.233 0.000 0.877 412 E CA -1.058 55.480 56.400 0.230 0.000 0.758 412 E CB 1.359 31.147 29.700 0.147 0.000 1.170 412 E HN 0.464 nan 8.360 nan 0.000 0.415 413 A N 3.824 126.774 122.820 0.216 0.000 2.445 413 A HA 0.082 4.417 4.320 0.025 0.000 0.242 413 A C 0.296 178.007 177.584 0.211 0.000 1.075 413 A CA -0.246 51.898 52.037 0.178 0.000 0.777 413 A CB 0.167 19.235 19.000 0.114 0.000 1.013 413 A HN 0.699 nan 8.150 nan 0.000 0.493 414 N N 1.259 120.092 118.700 0.222 0.000 3.050 414 N HA 0.265 5.020 4.740 0.025 0.000 0.289 414 N C -1.060 174.583 175.510 0.221 0.000 1.209 414 N CA 0.230 53.447 53.050 0.277 0.000 1.154 414 N CB -0.812 37.841 38.487 0.276 0.000 1.444 414 N HN 0.474 nan 8.380 nan 0.000 0.529 415 I N 1.105 121.800 120.570 0.208 0.000 2.497 415 I HA 0.268 4.453 4.170 0.025 0.000 0.284 415 I C -0.628 175.595 176.117 0.176 0.000 1.060 415 I CA -0.613 60.791 61.300 0.174 0.000 1.071 415 I CB 1.769 39.845 38.000 0.126 0.000 1.216 415 I HN 0.269 nan 8.210 nan 0.000 0.442 416 E N 4.301 124.601 120.200 0.167 0.000 2.287 416 E HA 0.360 4.725 4.350 0.025 0.000 0.274 416 E C -0.620 176.048 176.600 0.113 0.000 0.896 416 E CA -0.484 55.986 56.400 0.116 0.000 0.788 416 E CB 1.621 31.374 29.700 0.088 0.000 1.244 416 E HN 0.586 nan 8.360 nan 0.000 0.408 417 T N 0.660 115.272 114.554 0.097 0.000 3.374 417 T HA 0.162 4.527 4.350 0.025 0.000 0.267 417 T C 0.859 175.613 174.700 0.090 0.000 0.996 417 T CA -0.322 61.864 62.100 0.144 0.000 0.977 417 T CB -0.285 68.647 68.868 0.106 0.000 1.149 417 T HN 0.668 nan 8.240 nan 0.000 0.517 418 H N 1.097 120.080 119.070 -0.144 0.000 2.390 418 H HA -0.041 4.531 4.556 0.026 0.000 0.298 418 H C 2.276 177.487 175.328 -0.196 0.000 1.106 418 H CA 1.318 57.256 56.048 -0.183 0.000 1.297 418 H CB -0.153 29.460 29.762 -0.248 0.000 1.375 418 H HN 0.584 nan 8.280 nan 0.000 0.509 419 G N 0.039 108.720 108.800 -0.199 0.000 2.848 419 G HA2 -0.020 3.955 3.960 0.025 0.000 0.208 419 G HA3 -0.020 3.955 3.960 0.025 0.000 0.208 419 G C 0.429 175.455 174.900 0.211 0.000 1.152 419 G CA -0.169 44.833 45.100 -0.162 0.000 0.789 419 G HN 0.138 nan 8.290 nan 0.000 0.531 420 M N 0.334 120.092 119.600 0.264 0.000 2.202 420 M HA 0.354 4.849 4.480 0.025 0.000 0.316 420 M C -0.368 175.968 176.300 0.061 0.000 1.138 420 M CA -0.425 54.974 55.300 0.166 0.000 1.151 420 M CB 1.421 34.070 32.600 0.082 0.000 1.422 420 M HN -0.216 nan 8.290 nan 0.000 0.471 421 V N 3.595 123.521 119.914 0.021 0.000 2.482 421 V HA 0.378 4.513 4.120 0.025 0.000 0.295 421 V C -1.936 174.149 176.094 -0.016 0.000 1.026 421 V CA -1.294 61.003 62.300 -0.004 0.000 0.856 421 V CB 1.810 33.625 31.823 -0.013 0.000 1.001 421 V HN 0.742 nan 8.190 nan 0.000 0.424 422 P HA 0.223 nan 4.420 nan 0.000 0.275 422 P C 0.939 178.238 177.300 -0.001 0.000 1.266 422 P CA -0.496 62.597 63.100 -0.012 0.000 0.793 422 P CB 1.035 32.729 31.700 -0.011 0.000 1.074 423 M N 0.599 120.203 119.600 0.006 0.000 2.279 423 M HA -0.154 4.341 4.480 0.025 0.000 0.264 423 M C 1.136 177.455 176.300 0.030 0.000 1.062 423 M CA 1.684 56.997 55.300 0.022 0.000 1.099 423 M CB -0.449 32.151 32.600 0.001 0.000 1.394 423 M HN 0.357 nan 8.290 nan 0.000 0.426 424 N N -0.064 118.653 118.700 0.029 0.000 2.313 424 N HA -0.068 4.687 4.740 0.025 0.000 0.207 424 N C 1.114 176.603 175.510 -0.036 0.000 1.141 424 N CA 0.109 53.177 53.050 0.031 0.000 0.830 424 N CB -0.710 37.812 38.487 0.060 0.000 1.008 424 N HN 0.370 nan 8.380 nan 0.000 0.481 425 R N 0.447 120.912 120.500 -0.058 0.000 2.103 425 R HA -0.003 4.352 4.340 0.025 0.000 0.242 425 R C 1.414 177.616 176.300 -0.163 0.000 1.142 425 R CA 1.370 57.414 56.100 -0.094 0.000 0.960 425 R CB -0.064 30.177 30.300 -0.099 0.000 0.858 425 R HN 0.291 nan 8.270 nan 0.000 0.439 426 L N -0.512 120.552 121.223 -0.265 0.000 2.202 426 L HA 0.005 4.360 4.340 0.025 0.000 0.205 426 L C 2.429 179.169 176.870 -0.217 0.000 1.083 426 L CA 1.287 55.851 54.840 -0.460 0.000 0.790 426 L CB -0.436 41.093 42.059 -0.883 0.000 0.942 426 L HN 0.369 nan 8.230 nan 0.000 0.452 427 T N -4.546 109.908 114.554 -0.165 0.000 3.035 427 T HA -0.135 4.230 4.350 0.025 0.000 0.268 427 T C 1.250 175.858 174.700 -0.155 0.000 1.109 427 T CA 0.971 62.955 62.100 -0.194 0.000 1.119 427 T CB -0.180 68.520 68.868 -0.279 0.000 0.900 427 T HN 0.087 nan 8.240 nan 0.000 0.503 428 D N 1.244 121.589 120.400 -0.092 0.000 2.349 428 D HA 0.099 4.754 4.640 0.025 0.000 0.214 428 D C -0.237 176.043 176.300 -0.032 0.000 1.063 428 D CA -0.174 53.784 54.000 -0.071 0.000 0.847 428 D CB -0.082 40.684 40.800 -0.057 0.000 0.933 428 D HN 0.330 nan 8.370 nan 0.000 0.513 429 D N -0.162 120.237 120.400 -0.002 0.000 2.329 429 D HA 0.125 4.780 4.640 0.025 0.000 0.232 429 D C -1.711 174.642 176.300 0.088 0.000 1.088 429 D CA -2.201 51.837 54.000 0.063 0.000 0.835 429 D CB 2.036 42.917 40.800 0.135 0.000 1.078 429 D HN -0.027 nan 8.370 nan 0.000 0.495 430 P HA -0.059 nan 4.420 nan 0.000 0.226 430 P C 0.919 178.220 177.300 0.001 0.000 1.153 430 P CA 0.562 63.670 63.100 0.014 0.000 0.777 430 P CB 0.357 32.054 31.700 -0.004 0.000 0.794 431 R N -1.621 118.885 120.500 0.011 0.000 2.237 431 R HA -0.067 4.288 4.340 0.025 0.000 0.219 431 R C 1.369 177.519 176.300 -0.249 0.000 1.080 431 R CA 1.057 57.093 56.100 -0.108 0.000 0.995 431 R CB -0.525 29.693 30.300 -0.136 0.000 0.875 431 R HN 0.315 nan 8.270 nan 0.000 0.462 432 W N -0.163 121.084 121.300 -0.089 0.000 3.220 432 W HA 0.162 4.836 4.660 0.024 0.000 0.328 432 W C 1.410 177.872 176.519 -0.095 0.000 1.205 432 W CA -0.548 56.744 57.345 -0.087 0.000 1.773 432 W CB 0.096 29.503 29.460 -0.089 0.000 1.086 432 W HN 0.012 nan 8.180 nan 0.000 0.622 433 L N 2.058 123.303 121.223 0.037 0.000 2.083 433 L HA -0.026 4.329 4.340 0.025 0.000 0.209 433 L C -0.744 176.089 176.870 -0.062 0.000 1.083 433 L CA 2.207 57.035 54.840 -0.021 0.000 0.752 433 L CB -1.521 40.516 42.059 -0.036 0.000 0.899 433 L HN -0.238 nan 8.230 nan 0.000 0.433 434 P HA -0.117 nan 4.420 nan 0.000 0.215 434 P C 1.620 178.862 177.300 -0.096 0.000 1.157 434 P CA 2.075 65.110 63.100 -0.108 0.000 0.863 434 P CB -0.197 31.428 31.700 -0.125 0.000 0.787 435 A N -0.969 121.804 122.820 -0.078 0.000 1.902 435 A HA -0.200 4.135 4.320 0.025 0.000 0.217 435 A C 2.246 179.843 177.584 0.021 0.000 1.181 435 A CA 1.952 53.978 52.037 -0.018 0.000 0.623 435 A CB -1.513 17.495 19.000 0.014 0.000 0.818 435 A HN 0.096 nan 8.150 nan 0.000 0.443 436 M N 0.272 119.896 119.600 0.040 0.000 2.132 436 M HA -0.155 4.339 4.480 0.025 0.000 0.263 436 M C 2.562 178.813 176.300 -0.082 0.000 1.065 436 M CA 1.763 57.065 55.300 0.003 0.000 1.122 436 M CB -0.371 32.214 32.600 -0.025 0.000 1.365 436 M HN 0.680 nan 8.290 nan 0.000 0.411 437 S N 0.368 115.989 115.700 -0.131 0.000 2.370 437 S HA -0.203 4.282 4.470 0.025 0.000 0.226 437 S C 1.590 176.025 174.600 -0.275 0.000 1.033 437 S CA 1.601 59.655 58.200 -0.243 0.000 1.011 437 S CB -0.662 62.373 63.200 -0.275 0.000 0.852 437 S HN 0.534 nan 8.310 nan 0.000 0.457 438 E N 0.996 121.082 120.200 -0.190 0.000 2.153 438 E HA -0.095 4.270 4.350 0.025 0.000 0.194 438 E C 2.421 178.936 176.600 -0.142 0.000 0.988 438 E CA 0.959 57.254 56.400 -0.175 0.000 0.811 438 E CB -0.147 29.487 29.700 -0.110 0.000 0.746 438 E HN 0.570 nan 8.360 nan 0.000 0.466 439 R N 0.033 120.480 120.500 -0.087 0.000 2.148 439 R HA -0.066 4.289 4.340 0.025 0.000 0.227 439 R C 2.218 178.478 176.300 -0.066 0.000 1.103 439 R CA 0.662 56.742 56.100 -0.032 0.000 0.983 439 R CB 0.084 30.404 30.300 0.034 0.000 0.874 439 R HN 0.030 nan 8.270 nan 0.000 0.451 440 V N 0.080 119.907 119.914 -0.145 0.000 2.374 440 V HA -0.177 3.958 4.120 0.025 0.000 0.241 440 V C 2.492 178.401 176.094 -0.308 0.000 1.034 440 V CA 2.131 64.319 62.300 -0.185 0.000 1.037 440 V CB -0.296 31.409 31.823 -0.196 0.000 0.682 440 V HN 0.508 nan 8.190 nan 0.000 0.463 441 T N -0.606 113.642 114.554 -0.509 0.000 2.746 441 T HA -0.236 4.129 4.350 0.025 0.000 0.267 441 T C 1.929 176.468 174.700 -0.268 0.000 1.039 441 T CA 1.414 63.128 62.100 -0.642 0.000 1.142 441 T CB -0.416 67.867 68.868 -0.975 0.000 0.866 441 T HN 0.402 nan 8.240 nan 0.000 0.444 442 R N 0.275 120.645 120.500 -0.217 0.000 2.189 442 R HA 0.218 4.573 4.340 0.025 0.000 0.223 442 R C 2.619 178.842 176.300 -0.129 0.000 1.092 442 R CA 1.279 57.289 56.100 -0.151 0.000 0.989 442 R CB -0.456 29.764 30.300 -0.133 0.000 0.876 442 R HN 0.497 nan 8.270 nan 0.000 0.457 443 M N 0.533 120.064 119.600 -0.116 0.000 2.099 443 M HA -0.125 4.370 4.480 0.025 0.000 0.262 443 M C 1.817 178.042 176.300 -0.124 0.000 1.067 443 M CA 1.595 56.856 55.300 -0.064 0.000 1.124 443 M CB 0.122 32.724 32.600 0.003 0.000 1.353 443 M HN -0.027 nan 8.290 nan 0.000 0.410 444 V N 1.164 120.893 119.914 -0.308 0.000 2.343 444 V HA -0.293 3.842 4.120 0.025 0.000 0.247 444 V C 2.279 178.267 176.094 -0.176 0.000 1.051 444 V CA 2.029 64.033 62.300 -0.493 0.000 1.036 444 V CB -0.953 30.558 31.823 -0.520 0.000 0.654 444 V HN 0.594 nan 8.190 nan 0.000 0.451 445 Q N -0.680 119.049 119.800 -0.117 0.000 2.226 445 Q HA -0.224 4.131 4.340 0.025 0.000 0.204 445 Q C 2.449 178.364 176.000 -0.142 0.000 0.975 445 Q CA 1.460 57.200 55.803 -0.105 0.000 0.866 445 Q CB -0.177 28.517 28.738 -0.074 0.000 0.915 445 Q HN 0.538 nan 8.270 nan 0.000 0.440 446 R N 0.265 120.677 120.500 -0.147 0.000 2.080 446 R HA -0.081 4.274 4.340 0.025 0.000 0.222 446 R C 0.495 176.727 176.300 -0.114 0.000 1.107 446 R CA 1.222 57.214 56.100 -0.180 0.000 0.980 446 R CB 0.458 30.652 30.300 -0.178 0.000 0.879 446 R HN 0.134 nan 8.270 nan 0.000 0.439 447 D N -0.424 119.975 120.400 -0.002 0.000 2.433 447 D HA 0.009 4.664 4.640 0.025 0.000 0.211 447 D C 1.166 177.583 176.300 0.195 0.000 1.114 447 D CA 0.071 54.124 54.000 0.089 0.000 0.837 447 D CB 0.345 41.154 40.800 0.014 0.000 0.984 447 D HN 0.340 nan 8.370 nan 0.000 0.505 448 R N 0.516 121.134 120.500 0.196 0.000 2.293 448 R HA 0.034 4.389 4.340 0.025 0.000 0.219 448 R C 0.625 176.932 176.300 0.013 0.000 1.091 448 R CA 0.802 57.038 56.100 0.227 0.000 1.004 448 R CB -0.250 30.116 30.300 0.110 0.000 0.865 448 R HN -0.089 nan 8.270 nan 0.000 0.469 449 N N 0.303 118.935 118.700 -0.113 0.000 2.280 449 N HA 0.012 4.767 4.740 0.025 0.000 0.192 449 N C -0.551 174.819 175.510 -0.233 0.000 1.109 449 N CA 0.177 53.125 53.050 -0.171 0.000 0.855 449 N CB 0.148 38.518 38.487 -0.194 0.000 0.974 449 N HN 0.280 nan 8.380 nan 0.000 0.482 450 H N 1.327 120.339 119.070 -0.097 0.000 2.620 450 H HA 0.117 4.688 4.556 0.024 0.000 0.313 450 H C -1.200 173.982 175.328 -0.244 0.000 1.075 450 H CA -1.234 54.739 56.048 -0.125 0.000 1.397 450 H CB 1.675 31.398 29.762 -0.066 0.000 1.446 450 H HN 0.036 nan 8.280 nan 0.000 0.493 451 P HA -0.144 nan 4.420 nan 0.000 0.219 451 P C 1.417 178.246 177.300 -0.785 0.000 1.150 451 P CA 1.074 63.821 63.100 -0.589 0.000 0.814 451 P CB 0.285 31.416 31.700 -0.949 0.000 0.787 452 S N -0.680 114.655 115.700 -0.609 0.000 2.419 452 S HA -0.049 4.436 4.470 0.025 0.000 0.233 452 S C 1.119 175.690 174.600 -0.048 0.000 1.016 452 S CA 0.413 58.441 58.200 -0.288 0.000 0.974 452 S CB -1.525 61.667 63.200 -0.013 0.000 0.786 452 S HN -0.057 nan 8.310 nan 0.000 0.492 453 V N 3.573 123.435 119.914 -0.087 0.000 2.439 453 V HA 0.239 4.374 4.120 0.025 0.000 0.271 453 V C 1.099 177.058 176.094 -0.224 0.000 1.040 453 V CA -0.006 62.210 62.300 -0.141 0.000 1.002 453 V CB 0.431 32.083 31.823 -0.287 0.000 1.000 453 V HN 0.636 nan 8.190 nan 0.000 0.477 454 I N 2.731 123.228 120.570 -0.123 0.000 4.187 454 I HA 0.512 4.697 4.170 0.025 0.000 0.326 454 I C 0.383 176.393 176.117 -0.177 0.000 1.302 454 I CA 0.540 61.775 61.300 -0.109 0.000 1.196 454 I CB 0.485 38.505 38.000 0.033 0.000 1.095 454 I HN 0.322 nan 8.210 nan 0.000 0.411 455 I N 0.092 120.536 120.570 -0.210 0.000 2.722 455 I HA 0.362 4.547 4.170 0.025 0.000 0.295 455 I C -1.561 174.460 176.117 -0.159 0.000 1.161 455 I CA -0.429 60.789 61.300 -0.136 0.000 1.032 455 I CB 2.166 40.178 38.000 0.019 0.000 1.244 455 I HN 0.021 nan 8.210 nan 0.000 0.421 456 W N 3.728 125.082 121.300 0.090 0.000 2.496 456 W HA 0.636 5.309 4.660 0.021 0.000 0.327 456 W C 0.356 176.945 176.519 0.116 0.000 1.086 456 W CA -0.636 56.769 57.345 0.099 0.000 1.222 456 W CB 1.681 31.195 29.460 0.091 0.000 1.304 456 W HN 0.300 nan 8.180 nan 0.000 0.547 457 S N 2.449 118.391 115.700 0.402 0.000 2.513 457 S HA 0.417 4.902 4.470 0.025 0.000 0.299 457 S C 0.152 174.921 174.600 0.283 0.000 1.087 457 S CA -0.715 57.667 58.200 0.304 0.000 1.012 457 S CB 0.841 64.176 63.200 0.225 0.000 1.044 457 S HN 0.575 nan 8.310 nan 0.000 0.485 458 L N 4.046 125.426 121.223 0.261 0.000 2.627 458 L HA 0.359 4.714 4.340 0.025 0.000 0.233 458 L C 1.392 178.316 176.870 0.091 0.000 1.144 458 L CA 0.471 55.377 54.840 0.110 0.000 0.892 458 L CB -1.183 40.827 42.059 -0.081 0.000 1.039 458 L HN 1.006 nan 8.230 nan 0.000 0.442 459 G N 0.148 109.092 108.800 0.241 0.000 2.297 459 G HA2 -0.150 3.825 3.960 0.025 0.000 0.209 459 G HA3 -0.150 3.825 3.960 0.025 0.000 0.209 459 G C -1.536 173.569 174.900 0.342 0.000 1.267 459 G CA -0.522 44.730 45.100 0.253 0.000 1.127 459 G HN 0.200 nan 8.290 nan 0.000 0.498 460 N N 0.191 119.036 118.700 0.242 0.000 2.367 460 N HA 0.477 5.232 4.740 0.025 0.000 0.278 460 N C -0.434 175.037 175.510 -0.064 0.000 1.117 460 N CA 0.170 53.218 53.050 -0.003 0.000 0.867 460 N CB 1.566 39.776 38.487 -0.462 0.000 1.649 460 N HN 0.909 nan 8.380 nan 0.000 0.479 461 E N 0.670 120.737 120.200 -0.222 0.000 2.183 461 E HA -0.178 4.187 4.350 0.025 0.000 0.196 461 E C -0.834 175.675 176.600 -0.152 0.000 1.364 461 E CA 0.788 56.967 56.400 -0.368 0.000 0.700 461 E CB -1.347 27.871 29.700 -0.803 0.000 1.106 461 E HN 0.431 nan 8.360 nan 0.000 0.347 462 S N -0.013 115.747 115.700 0.099 0.000 2.941 462 S HA 0.410 4.895 4.470 0.025 0.000 0.251 462 S C 0.651 175.415 174.600 0.272 0.000 1.029 462 S CA -0.164 58.155 58.200 0.199 0.000 1.062 462 S CB 1.363 64.743 63.200 0.300 0.000 0.977 462 S HN 0.835 nan 8.310 nan 0.000 0.552 463 G N 2.027 110.915 108.800 0.148 0.000 2.633 463 G HA2 -0.266 3.709 3.960 0.025 0.000 0.263 463 G HA3 -0.266 3.709 3.960 0.025 0.000 0.263 463 G C -0.507 174.598 174.900 0.341 0.000 1.310 463 G CA -0.096 45.099 45.100 0.158 0.000 0.914 463 G HN 0.656 nan 8.290 nan 0.000 0.569 464 H N 0.419 119.610 119.070 0.201 0.000 2.658 464 H HA 0.589 5.160 4.556 0.024 0.000 0.337 464 H C 0.326 175.826 175.328 0.286 0.000 1.009 464 H CA -0.070 56.148 56.048 0.284 0.000 1.231 464 H CB 0.863 30.719 29.762 0.157 0.000 1.508 464 H HN 1.059 nan 8.280 nan 0.000 0.517 465 G N 1.471 110.341 108.800 0.117 0.000 2.600 465 G HA2 0.453 4.428 3.960 0.025 0.000 0.303 465 G HA3 0.453 4.428 3.960 0.025 0.000 0.303 465 G C 0.535 175.280 174.900 -0.258 0.000 1.253 465 G CA -0.168 44.833 45.100 -0.165 0.000 0.974 465 G HN 0.684 nan 8.290 nan 0.000 0.483 466 A N 0.192 122.904 122.820 -0.181 0.000 2.019 466 A HA -0.082 4.253 4.320 0.025 0.000 0.219 466 A C 2.119 179.672 177.584 -0.052 0.000 1.164 466 A CA 1.841 53.822 52.037 -0.094 0.000 0.644 466 A CB -0.426 18.543 19.000 -0.051 0.000 0.805 466 A HN 0.530 nan 8.150 nan 0.000 0.449 467 N N -0.161 118.471 118.700 -0.113 0.000 2.166 467 N HA -0.147 4.608 4.740 0.025 0.000 0.186 467 N C 1.384 176.831 175.510 -0.105 0.000 1.019 467 N CA 1.734 54.710 53.050 -0.124 0.000 0.856 467 N CB -0.701 37.676 38.487 -0.182 0.000 0.993 467 N HN 0.783 nan 8.380 nan 0.000 0.426 468 H N 0.368 119.418 119.070 -0.032 0.000 2.353 468 H HA -0.027 4.543 4.556 0.024 0.000 0.300 468 H C 1.239 176.635 175.328 0.114 0.000 1.090 468 H CA 1.280 57.321 56.048 -0.011 0.000 1.327 468 H CB 0.155 29.925 29.762 0.014 0.000 1.383 468 H HN 0.203 nan 8.280 nan 0.000 0.508 469 D N 0.288 120.845 120.400 0.262 0.000 2.144 469 D HA -0.103 4.552 4.640 0.025 0.000 0.200 469 D C 2.293 178.744 176.300 0.251 0.000 0.978 469 D CA 1.070 55.228 54.000 0.263 0.000 0.833 469 D CB -0.293 40.632 40.800 0.207 0.000 0.961 469 D HN 0.426 nan 8.370 nan 0.000 0.470 470 A N 0.909 123.827 122.820 0.162 0.000 1.877 470 A HA -0.116 4.219 4.320 0.025 0.000 0.216 470 A C 2.388 180.080 177.584 0.180 0.000 1.186 470 A CA 0.933 53.055 52.037 0.142 0.000 0.620 470 A CB -0.738 18.303 19.000 0.068 0.000 0.822 470 A HN 0.192 nan 8.150 nan 0.000 0.443 471 L N -2.147 119.167 121.223 0.150 0.000 2.156 471 L HA -0.112 4.243 4.340 0.025 0.000 0.208 471 L C 2.527 179.540 176.870 0.238 0.000 1.095 471 L CA 1.265 56.196 54.840 0.151 0.000 0.770 471 L CB -0.631 41.446 42.059 0.031 0.000 0.914 471 L HN 0.603 nan 8.230 nan 0.000 0.439 472 Y N 1.449 121.836 120.300 0.144 0.000 2.097 472 Y HA -0.350 4.211 4.550 0.017 0.000 0.282 472 Y C 2.838 178.823 175.900 0.142 0.000 1.152 472 Y CA 1.940 60.128 58.100 0.146 0.000 1.136 472 Y CB -0.158 38.390 38.460 0.147 0.000 0.975 472 Y HN -0.027 nan 8.280 nan 0.000 0.498 473 R N -0.221 120.393 120.500 0.191 0.000 2.115 473 R HA -0.195 4.160 4.340 0.025 0.000 0.230 473 R C 2.054 178.366 176.300 0.020 0.000 1.111 473 R CA 1.816 57.949 56.100 0.054 0.000 0.976 473 R CB -1.371 29.038 30.300 0.182 0.000 0.870 473 R HN 0.656 nan 8.270 nan 0.000 0.445 474 W N 0.477 121.740 121.300 -0.063 0.000 2.335 474 W HA -0.152 4.524 4.660 0.027 0.000 0.311 474 W C 1.545 177.976 176.519 -0.146 0.000 1.213 474 W CA 1.979 59.272 57.345 -0.087 0.000 1.274 474 W CB -0.215 29.197 29.460 -0.079 0.000 1.148 474 W HN 0.081 nan 8.180 nan 0.000 0.498 475 I N 0.841 121.424 120.570 0.022 0.000 2.252 475 I HA -0.332 3.853 4.170 0.025 0.000 0.245 475 I C 2.439 178.370 176.117 -0.310 0.000 1.102 475 I CA 1.301 62.465 61.300 -0.228 0.000 1.385 475 I CB -0.731 37.190 38.000 -0.130 0.000 1.064 475 I HN -0.113 nan 8.210 nan 0.000 0.414 476 K N 0.390 120.609 120.400 -0.301 0.000 2.103 476 K HA -0.186 4.149 4.320 0.025 0.000 0.207 476 K C 2.278 178.742 176.600 -0.227 0.000 1.048 476 K CA 1.693 57.819 56.287 -0.269 0.000 0.930 476 K CB -0.550 31.746 32.500 -0.340 0.000 0.716 476 K HN 0.294 nan 8.250 nan 0.000 0.444 477 S N 0.981 116.513 115.700 -0.280 0.000 2.377 477 S HA -0.080 4.405 4.470 0.025 0.000 0.223 477 S C 2.083 176.474 174.600 -0.349 0.000 1.030 477 S CA 1.087 59.127 58.200 -0.266 0.000 0.970 477 S CB -0.147 62.904 63.200 -0.249 0.000 0.830 477 S HN 0.171 nan 8.310 nan 0.000 0.473 478 V N -0.583 118.983 119.914 -0.580 0.000 2.591 478 V HA 0.240 4.375 4.120 0.025 0.000 0.249 478 V C 0.417 176.294 176.094 -0.361 0.000 1.053 478 V CA 1.529 63.482 62.300 -0.578 0.000 1.068 478 V CB -0.517 30.732 31.823 -0.957 0.000 0.689 478 V HN 0.474 nan 8.190 nan 0.000 0.462 479 D N 0.291 120.524 120.400 -0.278 0.000 2.363 479 D HA 0.415 5.070 4.640 0.025 0.000 0.258 479 D C -2.353 173.940 176.300 -0.011 0.000 1.259 479 D CA -1.995 51.953 54.000 -0.087 0.000 0.921 479 D CB 1.700 42.535 40.800 0.058 0.000 1.201 479 D HN 0.159 nan 8.370 nan 0.000 0.524 480 P HA -0.018 nan 4.420 nan 0.000 0.242 480 P C 1.112 178.433 177.300 0.035 0.000 1.197 480 P CA 0.461 63.558 63.100 -0.005 0.000 0.765 480 P CB 0.190 31.881 31.700 -0.015 0.000 0.936 481 S N -1.496 114.234 115.700 0.050 0.000 2.561 481 S HA 0.073 4.558 4.470 0.025 0.000 0.225 481 S C 0.843 175.469 174.600 0.042 0.000 0.977 481 S CA 0.013 58.245 58.200 0.054 0.000 0.926 481 S CB -0.330 62.896 63.200 0.044 0.000 0.769 481 S HN 0.039 nan 8.310 nan 0.000 0.533 482 R N 1.050 121.586 120.500 0.060 0.000 2.621 482 R HA 0.517 4.872 4.340 0.025 0.000 0.284 482 R C -3.211 173.137 176.300 0.080 0.000 0.998 482 R CA -2.187 53.911 56.100 -0.003 0.000 0.895 482 R CB 1.661 31.833 30.300 -0.214 0.000 1.195 482 R HN 0.144 nan 8.270 nan 0.000 0.450 483 P HA 0.062 nan 4.420 nan 0.000 0.271 483 P C -0.821 176.589 177.300 0.184 0.000 1.233 483 P CA -0.357 62.809 63.100 0.110 0.000 0.789 483 P CB 0.638 32.388 31.700 0.084 0.000 0.951 484 V N 2.046 122.097 119.914 0.228 0.000 2.495 484 V HA 0.393 4.528 4.120 0.025 0.000 0.298 484 V C 0.209 176.494 176.094 0.318 0.000 1.031 484 V CA -0.292 62.193 62.300 0.308 0.000 0.871 484 V CB 1.205 33.184 31.823 0.260 0.000 0.988 484 V HN 0.610 nan 8.190 nan 0.000 0.432 485 Q N 3.791 123.759 119.800 0.278 0.000 2.416 485 Q HA 0.813 5.168 4.340 0.025 0.000 0.279 485 Q C -1.814 174.355 176.000 0.281 0.000 1.101 485 Q CA -0.915 55.020 55.803 0.219 0.000 0.830 485 Q CB 2.971 31.785 28.738 0.127 0.000 1.402 485 Q HN 0.635 nan 8.270 nan 0.000 0.445 486 Y N 0.054 120.368 120.300 0.022 0.000 2.357 486 Y HA 0.132 4.695 4.550 0.023 0.000 0.319 486 Y C -0.632 175.210 175.900 -0.096 0.000 1.225 486 Y CA -0.747 57.332 58.100 -0.035 0.000 1.095 486 Y CB 1.945 40.372 38.460 -0.054 0.000 1.302 486 Y HN 0.950 nan 8.280 nan 0.000 0.429 487 E N 3.349 123.051 120.200 -0.830 0.000 2.318 487 E HA 0.143 4.508 4.350 0.025 0.000 0.193 487 E C 0.607 176.756 176.600 -0.753 0.000 0.998 487 E CA 0.737 56.765 56.400 -0.619 0.000 0.859 487 E CB 0.277 29.742 29.700 -0.391 0.000 0.812 487 E HN 0.873 nan 8.360 nan 0.000 0.492 488 G N -0.288 107.675 108.800 -1.395 0.000 2.554 488 G HA2 0.287 4.262 3.960 0.025 0.000 0.238 488 G HA3 0.287 4.262 3.960 0.025 0.000 0.238 488 G C 0.758 175.507 174.900 -0.253 0.000 1.259 488 G CA 0.227 44.936 45.100 -0.652 0.000 0.843 488 G HN 0.322 nan 8.290 nan 0.000 0.582 489 G N -0.717 108.040 108.800 -0.071 0.000 2.147 489 G HA2 0.244 4.218 3.960 0.025 0.000 0.244 489 G HA3 0.244 4.218 3.960 0.025 0.000 0.244 489 G C 1.227 176.134 174.900 0.011 0.000 1.005 489 G CA 0.940 46.064 45.100 0.040 0.000 0.713 489 G HN 2.604 nan 8.290 nan 0.000 0.515 490 G N -1.416 107.381 108.800 -0.004 0.000 2.192 490 G HA2 0.433 4.408 3.960 0.025 0.000 0.193 490 G HA3 0.433 4.408 3.960 0.025 0.000 0.193 490 G C 1.055 176.077 174.900 0.202 0.000 0.999 490 G CA 1.329 46.493 45.100 0.107 0.000 0.659 490 G HN 2.360 nan 8.290 nan 0.000 0.503 491 A N -0.282 122.540 122.820 0.002 0.000 3.396 491 A HA -0.127 4.208 4.320 0.025 0.000 0.267 491 A C 1.121 178.644 177.584 -0.102 0.000 1.139 491 A CA 2.633 54.614 52.037 -0.094 0.000 1.115 491 A CB -1.767 17.160 19.000 -0.122 0.000 1.133 491 A HN 2.117 nan 8.150 nan 0.000 0.920 492 D N -0.841 119.581 120.400 0.038 0.000 2.692 492 D HA 0.308 4.963 4.640 0.025 0.000 0.290 492 D C 0.439 176.735 176.300 -0.007 0.000 1.455 492 D CA 0.866 54.893 54.000 0.046 0.000 0.796 492 D CB -1.145 39.832 40.800 0.295 0.000 1.131 492 D HN 0.822 nan 8.370 nan 0.000 0.467 493 T N -2.359 112.122 114.554 -0.121 0.000 2.689 493 T HA 0.201 4.566 4.350 0.025 0.000 0.308 493 T C 1.581 176.139 174.700 -0.237 0.000 1.021 493 T CA 0.485 62.440 62.100 -0.241 0.000 0.973 493 T CB 0.694 69.186 68.868 -0.628 0.000 1.113 493 T HN 0.076 nan 8.240 nan 0.000 0.522 494 T N -2.709 111.690 114.554 -0.259 0.000 3.160 494 T HA 0.260 4.625 4.350 0.025 0.000 0.257 494 T C 1.454 175.887 174.700 -0.445 0.000 1.147 494 T CA 0.206 62.168 62.100 -0.230 0.000 1.064 494 T CB -0.493 68.328 68.868 -0.078 0.000 0.949 494 T HN 0.823 nan 8.240 nan 0.000 0.526 495 A N 0.459 123.038 122.820 -0.403 0.000 2.460 495 A HA 0.525 4.860 4.320 0.025 0.000 0.258 495 A C 0.782 178.206 177.584 -0.267 0.000 1.300 495 A CA -0.318 51.470 52.037 -0.415 0.000 0.913 495 A CB 0.059 19.082 19.000 0.037 0.000 1.031 495 A HN 0.435 nan 8.150 nan 0.000 0.512 496 T N -1.514 112.880 114.554 -0.266 0.000 2.952 496 T HA 0.372 4.737 4.350 0.025 0.000 0.305 496 T C -0.711 174.008 174.700 0.032 0.000 1.064 496 T CA -0.434 61.663 62.100 -0.005 0.000 1.008 496 T CB 1.299 70.161 68.868 -0.010 0.000 1.078 496 T HN 0.068 nan 8.240 nan 0.000 0.459 497 D N 2.763 123.267 120.400 0.174 0.000 2.349 497 D HA 0.280 4.935 4.640 0.025 0.000 0.215 497 D C 0.321 176.655 176.300 0.057 0.000 1.016 497 D CA 0.640 54.725 54.000 0.142 0.000 0.870 497 D CB 0.416 41.333 40.800 0.195 0.000 0.917 497 D HN 0.532 nan 8.370 nan 0.000 0.524 498 I N 1.018 121.603 120.570 0.025 0.000 2.498 498 I HA 0.253 4.438 4.170 0.025 0.000 0.290 498 I C -0.170 175.885 176.117 -0.104 0.000 1.032 498 I CA -0.908 60.373 61.300 -0.032 0.000 1.073 498 I CB 2.775 40.772 38.000 -0.006 0.000 1.251 498 I HN -0.356 nan 8.210 nan 0.000 0.426 499 I N 5.819 126.281 120.570 -0.181 0.000 2.505 499 I HA 0.021 4.206 4.170 0.025 0.000 0.287 499 I C 0.266 176.172 176.117 -0.352 0.000 1.104 499 I CA 0.102 61.197 61.300 -0.343 0.000 1.387 499 I CB 0.147 37.836 38.000 -0.519 0.000 1.404 499 I HN 0.678 nan 8.210 nan 0.000 0.528 500 C N 5.767 124.874 119.300 -0.322 0.000 3.401 500 C HA 0.486 4.961 4.460 0.025 0.000 0.204 500 C C -2.224 172.633 174.990 -0.223 0.000 1.522 500 C CA -2.262 56.626 59.018 -0.217 0.000 1.409 500 C CB -0.824 26.849 27.740 -0.111 0.000 1.967 500 C HN 0.411 nan 8.230 nan 0.000 0.496 501 P HA 0.337 nan 4.420 nan 0.000 0.273 501 P C -0.432 176.821 177.300 -0.079 0.000 1.250 501 P CA 0.244 63.245 63.100 -0.165 0.000 0.793 501 P CB 0.747 32.368 31.700 -0.132 0.000 1.011 502 M N -0.041 119.533 119.600 -0.043 0.000 2.181 502 M HA 0.457 4.952 4.480 0.025 0.000 0.323 502 M C -0.918 175.380 176.300 -0.003 0.000 1.004 502 M CA -0.675 54.499 55.300 -0.210 0.000 0.941 502 M CB 1.264 33.681 32.600 -0.305 0.000 1.579 502 M HN 0.250 nan 8.290 nan 0.000 0.427 503 Y N -0.342 120.139 120.300 0.301 0.000 4.490 503 Y HA -0.204 4.362 4.550 0.026 0.000 0.233 503 Y C 0.509 176.598 175.900 0.316 0.000 1.101 503 Y CA 0.544 58.832 58.100 0.314 0.000 2.010 503 Y CB -2.459 36.175 38.460 0.289 0.000 1.622 503 Y HN 0.983 nan 8.280 nan 0.000 0.675 504 A N 1.025 124.079 122.820 0.390 0.000 2.425 504 A HA 0.582 4.917 4.320 0.025 0.000 0.249 504 A C 0.805 178.622 177.584 0.388 0.000 1.084 504 A CA -0.432 51.835 52.037 0.382 0.000 0.781 504 A CB 0.405 19.666 19.000 0.435 0.000 1.019 504 A HN 0.391 nan 8.150 nan 0.000 0.490 505 R N 1.321 121.974 120.500 0.255 0.000 2.546 505 R HA 0.343 4.698 4.340 0.025 0.000 0.266 505 R C 1.004 177.271 176.300 -0.055 0.000 1.086 505 R CA -0.726 55.450 56.100 0.125 0.000 1.160 505 R CB 0.670 31.011 30.300 0.068 0.000 1.138 505 R HN 0.489 nan 8.270 nan 0.000 0.567 506 V N 0.615 120.330 119.914 -0.331 0.000 2.323 506 V HA -0.189 3.946 4.120 0.025 0.000 0.244 506 V C 0.939 176.913 176.094 -0.199 0.000 1.041 506 V CA 1.853 63.921 62.300 -0.386 0.000 1.025 506 V CB -0.251 31.222 31.823 -0.584 0.000 0.656 506 V HN 0.739 nan 8.190 nan 0.000 0.451 507 D N -1.500 118.818 120.400 -0.136 0.000 2.473 507 D HA 0.109 4.764 4.640 0.025 0.000 0.230 507 D C 0.879 177.162 176.300 -0.027 0.000 1.097 507 D CA 0.072 54.027 54.000 -0.075 0.000 0.861 507 D CB 0.798 41.558 40.800 -0.067 0.000 1.114 507 D HN 0.471 nan 8.370 nan 0.000 0.500 508 E N 1.804 121.992 120.200 -0.020 0.000 2.174 508 E HA 0.122 4.487 4.350 0.025 0.000 0.282 508 E C -0.874 175.728 176.600 0.003 0.000 0.992 508 E CA -0.592 55.805 56.400 -0.005 0.000 0.803 508 E CB 1.087 30.783 29.700 -0.006 0.000 1.090 508 E HN -0.189 nan 8.360 nan 0.000 0.396 509 D N 3.554 123.958 120.400 0.008 0.000 2.304 509 D HA 0.125 4.780 4.640 0.025 0.000 0.247 509 D C -0.595 175.597 176.300 -0.180 0.000 1.089 509 D CA 0.202 54.200 54.000 -0.003 0.000 0.910 509 D CB 1.191 42.067 40.800 0.127 0.000 1.199 509 D HN 0.406 nan 8.370 nan 0.000 0.426 510 Q N 1.732 121.294 119.800 -0.397 0.000 2.674 510 Q HA 0.240 4.595 4.340 0.025 0.000 0.249 510 Q C -2.200 173.167 176.000 -1.055 0.000 1.011 510 Q CA -1.530 53.836 55.803 -0.729 0.000 0.734 510 Q CB 2.343 30.586 28.738 -0.825 0.000 1.201 510 Q HN 0.177 nan 8.270 nan 0.000 0.498 511 P HA 0.011 nan 4.420 nan 0.000 0.225 511 P C -0.694 176.305 177.300 -0.503 0.000 1.768 511 P CA -0.172 62.495 63.100 -0.720 0.000 0.943 511 P CB -0.495 31.002 31.700 -0.338 0.000 1.936 512 F N 1.658 121.421 119.950 -0.311 0.000 2.595 512 F HA 0.146 4.688 4.527 0.024 0.000 0.359 512 F C -1.321 174.368 175.800 -0.184 0.000 1.147 512 F CA -2.106 55.775 58.000 -0.198 0.000 1.341 512 F CB -1.181 37.720 39.000 -0.165 0.000 1.104 512 F HN 0.085 nan 8.300 nan 0.000 0.603 513 P HA 0.229 nan 4.420 nan 0.000 0.271 513 P C 0.323 177.635 177.300 0.019 0.000 1.216 513 P CA 1.073 64.187 63.100 0.023 0.000 0.776 513 P CB 1.112 32.825 31.700 0.021 0.000 0.881 514 A N 2.517 125.344 122.820 0.011 0.000 3.292 514 A HA -0.246 4.089 4.320 0.025 0.000 0.241 514 A C 0.736 178.328 177.584 0.013 0.000 0.569 514 A CA 2.135 54.183 52.037 0.019 0.000 1.149 514 A CB -2.685 16.325 19.000 0.018 0.000 1.321 514 A HN 0.675 nan 8.150 nan 0.000 0.679 515 V N -3.045 116.869 119.914 -0.000 0.000 2.468 515 V HA 0.548 4.683 4.120 0.025 0.000 0.256 515 V C -2.275 173.797 176.094 -0.037 0.000 0.998 515 V CA -1.287 61.012 62.300 -0.002 0.000 1.114 515 V CB 0.557 32.382 31.823 0.004 0.000 1.378 515 V HN 0.486 nan 8.190 nan 0.000 0.573 516 P HA 0.214 nan 4.420 nan 0.000 0.269 516 P C -0.577 176.286 177.300 -0.728 0.000 1.215 516 P CA 0.184 62.889 63.100 -0.659 0.000 0.780 516 P CB 1.019 31.854 31.700 -1.442 0.000 0.898 517 K N 2.226 122.245 120.400 -0.635 0.000 2.419 517 K HA 0.203 4.537 4.320 0.025 0.000 0.244 517 K C -0.417 175.873 176.600 -0.517 0.000 1.045 517 K CA -0.291 55.811 56.287 -0.308 0.000 1.004 517 K CB 0.308 32.916 32.500 0.179 0.000 1.376 517 K HN 0.459 nan 8.250 nan 0.000 0.460 518 W N 1.281 122.266 121.300 -0.525 0.000 2.126 518 W HA 0.060 4.735 4.660 0.025 0.000 0.346 518 W C 1.334 177.864 176.519 0.018 0.000 1.279 518 W CA -0.423 56.712 57.345 -0.351 0.000 1.259 518 W CB 0.399 29.477 29.460 -0.636 0.000 1.133 518 W HN 0.350 nan 8.180 nan 0.000 0.592 519 S N 2.782 118.642 115.700 0.267 0.000 2.558 519 S HA -0.085 4.400 4.470 0.025 0.000 0.291 519 S C 1.159 175.923 174.600 0.272 0.000 1.306 519 S CA -0.078 58.229 58.200 0.178 0.000 1.056 519 S CB 0.182 63.438 63.200 0.093 0.000 0.836 519 S HN 0.508 nan 8.310 nan 0.000 0.504 520 I N 1.977 122.659 120.570 0.187 0.000 2.394 520 I HA -0.089 4.096 4.170 0.025 0.000 0.251 520 I C 2.045 178.194 176.117 0.052 0.000 1.136 520 I CA 1.103 62.516 61.300 0.189 0.000 1.425 520 I CB -0.399 37.654 38.000 0.088 0.000 1.079 520 I HN 0.588 nan 8.210 nan 0.000 0.425 521 K N 1.635 121.964 120.400 -0.119 0.000 2.057 521 K HA -0.169 4.166 4.320 0.025 0.000 0.207 521 K C 2.297 178.891 176.600 -0.011 0.000 1.049 521 K CA 1.789 57.913 56.287 -0.272 0.000 0.931 521 K CB -0.189 32.062 32.500 -0.414 0.000 0.714 521 K HN 0.378 nan 8.250 nan 0.000 0.440 522 K N -0.008 120.415 120.400 0.037 0.000 2.103 522 K HA -0.160 4.175 4.320 0.025 0.000 0.204 522 K C 1.887 178.525 176.600 0.064 0.000 1.052 522 K CA 0.786 57.087 56.287 0.023 0.000 0.945 522 K CB -0.061 32.421 32.500 -0.030 0.000 0.722 522 K HN 0.211 nan 8.250 nan 0.000 0.443 523 W N 2.096 123.391 121.300 -0.008 0.000 2.358 523 W HA -0.156 4.517 4.660 0.022 0.000 0.303 523 W C 1.527 178.032 176.519 -0.023 0.000 1.208 523 W CA 1.034 58.384 57.345 0.008 0.000 1.274 523 W CB -0.566 28.980 29.460 0.142 0.000 1.138 523 W HN 0.077 nan 8.180 nan 0.000 0.515 524 L N 0.901 122.284 121.223 0.266 0.000 2.127 524 L HA -0.239 4.116 4.340 0.025 0.000 0.211 524 L C 2.218 179.158 176.870 0.117 0.000 1.089 524 L CA 1.954 56.885 54.840 0.152 0.000 0.757 524 L CB -0.890 41.245 42.059 0.126 0.000 0.899 524 L HN -0.011 nan 8.230 nan 0.000 0.434 525 S N -1.500 114.253 115.700 0.089 0.000 2.572 525 S HA 0.259 4.744 4.470 0.025 0.000 0.228 525 S C 0.560 175.150 174.600 -0.016 0.000 0.963 525 S CA -0.548 57.674 58.200 0.037 0.000 0.939 525 S CB -0.378 62.843 63.200 0.035 0.000 0.804 525 S HN 0.143 nan 8.310 nan 0.000 0.480 526 L N 2.045 123.248 121.223 -0.033 0.000 2.499 526 L HA 0.203 4.558 4.340 0.025 0.000 0.281 526 L C -2.185 174.650 176.870 -0.058 0.000 1.234 526 L CA -1.637 53.133 54.840 -0.117 0.000 0.839 526 L CB -0.335 41.629 42.059 -0.158 0.000 1.104 526 L HN 0.038 nan 8.230 nan 0.000 0.500 527 P HA -0.038 nan 4.420 nan 0.000 0.260 527 P C 0.741 178.032 177.300 -0.014 0.000 1.172 527 P CA 1.105 64.180 63.100 -0.043 0.000 0.760 527 P CB 0.455 32.123 31.700 -0.052 0.000 0.773 528 G N 1.780 110.579 108.800 -0.002 0.000 2.205 528 G HA2 -0.280 3.695 3.960 0.025 0.000 0.261 528 G HA3 -0.280 3.695 3.960 0.025 0.000 0.261 528 G C 0.266 175.180 174.900 0.024 0.000 0.980 528 G CA 0.155 45.261 45.100 0.011 0.000 0.632 528 G HN 0.620 nan 8.290 nan 0.000 0.533 529 E N 1.037 121.256 120.200 0.033 0.000 2.338 529 E HA 0.599 4.964 4.350 0.025 0.000 0.272 529 E C 1.362 177.986 176.600 0.041 0.000 1.029 529 E CA 0.651 57.084 56.400 0.054 0.000 0.872 529 E CB 0.811 30.569 29.700 0.097 0.000 1.015 529 E HN 0.523 nan 8.360 nan 0.000 0.417 530 T N 0.582 115.157 114.554 0.034 0.000 3.041 530 T HA 0.334 4.699 4.350 0.025 0.000 0.276 530 T C 0.583 175.292 174.700 0.016 0.000 0.948 530 T CA -0.448 61.666 62.100 0.025 0.000 0.885 530 T CB 0.112 68.993 68.868 0.022 0.000 1.175 530 T HN 0.240 nan 8.240 nan 0.000 0.529 531 R N 2.273 122.778 120.500 0.009 0.000 2.649 531 R HA 0.473 4.828 4.340 0.025 0.000 0.270 531 R C -2.549 173.733 176.300 -0.030 0.000 1.105 531 R CA -1.900 54.195 56.100 -0.009 0.000 1.193 531 R CB 0.041 30.329 30.300 -0.020 0.000 1.120 531 R HN 0.219 nan 8.270 nan 0.000 0.561 532 P HA 0.093 nan 4.420 nan 0.000 0.276 532 P C -1.088 176.146 177.300 -0.111 0.000 1.244 532 P CA -0.122 62.939 63.100 -0.066 0.000 0.801 532 P CB 0.700 32.361 31.700 -0.064 0.000 1.006 533 L N 2.773 123.910 121.223 -0.142 0.000 2.349 533 L HA 0.585 4.940 4.340 0.025 0.000 0.278 533 L C -1.027 175.709 176.870 -0.223 0.000 0.996 533 L CA -0.696 54.021 54.840 -0.204 0.000 0.825 533 L CB 0.656 42.586 42.059 -0.215 0.000 1.243 533 L HN 0.236 nan 8.230 nan 0.000 0.412 534 I N 5.653 126.099 120.570 -0.207 0.000 2.500 534 I HA 0.261 4.446 4.170 0.025 0.000 0.286 534 I C -0.753 175.288 176.117 -0.127 0.000 1.063 534 I CA -0.527 60.642 61.300 -0.219 0.000 1.062 534 I CB 2.019 39.947 38.000 -0.122 0.000 1.223 534 I HN 0.486 nan 8.210 nan 0.000 0.435 535 L N 5.570 126.691 121.223 -0.170 0.000 2.455 535 L HA 0.030 4.385 4.340 0.025 0.000 0.272 535 L C 1.475 178.445 176.870 0.168 0.000 1.174 535 L CA -0.097 54.718 54.840 -0.042 0.000 0.869 535 L CB 0.689 42.713 42.059 -0.058 0.000 1.130 535 L HN 0.868 nan 8.230 nan 0.000 0.474 536 C N 0.838 120.209 119.300 0.118 0.000 2.468 536 C HA 0.115 4.590 4.460 0.025 0.000 0.277 536 C C 0.691 175.847 174.990 0.276 0.000 1.400 536 C CA -0.196 58.938 59.018 0.195 0.000 1.770 536 C CB -0.978 26.782 27.740 0.032 0.000 1.905 536 C HN 0.810 nan 8.230 nan 0.000 0.519 537 Q N -0.327 119.574 119.800 0.169 0.000 2.295 537 Q HA 0.608 4.963 4.340 0.025 0.000 0.268 537 Q C -1.484 174.539 176.000 0.039 0.000 1.010 537 Q CA -0.331 55.575 55.803 0.170 0.000 0.856 537 Q CB 2.369 31.040 28.738 -0.112 0.000 1.349 537 Q HN 0.695 nan 8.270 nan 0.000 0.412 538 Y N -0.119 120.233 120.300 0.086 0.000 2.656 538 Y HA 0.802 5.368 4.550 0.026 0.000 0.334 538 Y C -0.757 175.325 175.900 0.304 0.000 1.179 538 Y CA -0.684 57.460 58.100 0.074 0.000 1.050 538 Y CB 0.606 38.946 38.460 -0.201 0.000 1.308 538 Y HN 0.972 nan 8.280 nan 0.000 0.456 539 A N 1.334 124.251 122.820 0.163 0.000 2.770 539 A HA 0.105 4.440 4.320 0.025 0.000 0.674 539 A C -1.210 176.611 177.584 0.394 0.000 0.315 539 A CA 0.601 52.744 52.037 0.178 0.000 0.133 539 A CB -1.462 17.556 19.000 0.031 0.000 3.903 539 A HN 1.927 nan 8.150 nan 0.000 0.543 540 H N 0.456 119.639 119.070 0.189 0.000 3.275 540 H HA 0.520 5.090 4.556 0.025 0.000 0.326 540 H C -0.033 175.353 175.328 0.097 0.000 1.096 540 H CA 0.282 56.496 56.048 0.276 0.000 1.579 540 H CB 0.800 30.601 29.762 0.065 0.000 1.834 540 H HN 1.662 nan 8.280 nan 0.000 0.510 541 A N 6.362 129.094 122.820 -0.147 0.000 3.019 541 A HA 0.152 4.487 4.320 0.025 0.000 0.262 541 A C 0.654 178.035 177.584 -0.338 0.000 1.509 541 A CA -0.422 51.479 52.037 -0.226 0.000 1.159 541 A CB -0.707 18.156 19.000 -0.228 0.000 1.042 541 A HN 0.711 nan 8.150 nan 0.000 0.641 542 M N 1.569 120.985 119.600 -0.306 0.000 2.105 542 M HA 0.467 4.962 4.480 0.025 0.000 0.350 542 M C 0.924 176.984 176.300 -0.400 0.000 1.308 542 M CA 1.243 56.346 55.300 -0.328 0.000 1.108 542 M CB -0.013 32.492 32.600 -0.159 0.000 1.622 542 M HN 0.879 nan 8.290 nan 0.000 0.468 543 G N 4.160 112.651 108.800 -0.515 0.000 2.552 543 G HA2 -0.328 3.646 3.960 0.025 0.000 0.265 543 G HA3 -0.328 3.646 3.960 0.025 0.000 0.265 543 G C -0.330 173.984 174.900 -0.977 0.000 1.234 543 G CA -0.035 44.633 45.100 -0.720 0.000 0.944 543 G HN 0.848 nan 8.290 nan 0.000 0.568 544 N N 1.124 119.139 118.700 -1.142 0.000 2.508 544 N HA 0.511 5.266 4.740 0.025 0.000 0.253 544 N C 0.028 175.241 175.510 -0.496 0.000 1.145 544 N CA 1.043 53.576 53.050 -0.862 0.000 0.973 544 N CB 0.526 38.522 38.487 -0.818 0.000 1.305 544 N HN 0.846 nan 8.380 nan 0.000 0.506 545 S N 2.145 117.631 115.700 -0.356 0.000 2.998 545 S HA 0.620 5.105 4.470 0.025 0.000 0.321 545 S C -0.091 174.417 174.600 -0.153 0.000 1.171 545 S CA -0.350 57.708 58.200 -0.237 0.000 0.882 545 S CB 0.155 63.225 63.200 -0.217 0.000 1.301 545 S HN 0.363 nan 8.310 nan 0.000 0.629 546 L N 0.055 121.232 121.223 -0.077 0.000 4.793 546 L HA -0.057 4.298 4.340 0.025 0.000 0.404 546 L C 0.573 177.481 176.870 0.064 0.000 1.022 546 L CA 0.876 55.708 54.840 -0.013 0.000 1.242 546 L CB -1.797 40.171 42.059 -0.152 0.000 2.049 546 L HN 0.744 nan 8.230 nan 0.000 0.637 547 G N -0.709 108.093 108.800 0.004 0.000 2.340 547 G HA2 0.461 4.436 3.960 0.025 0.000 0.245 547 G HA3 0.461 4.436 3.960 0.025 0.000 0.245 547 G C 1.242 176.189 174.900 0.078 0.000 1.294 547 G CA 0.224 45.309 45.100 -0.025 0.000 0.896 547 G HN 1.395 nan 8.290 nan 0.000 0.522 548 G N 1.706 110.550 108.800 0.074 0.000 2.157 548 G HA2 -0.318 3.657 3.960 0.025 0.000 0.248 548 G HA3 -0.318 3.657 3.960 0.025 0.000 0.248 548 G C 0.987 176.081 174.900 0.324 0.000 0.979 548 G CA 0.746 45.950 45.100 0.172 0.000 0.650 548 G HN 0.801 nan 8.290 nan 0.000 0.529 549 F N 1.770 121.848 119.950 0.214 0.000 2.161 549 F HA 0.147 4.689 4.527 0.025 0.000 0.300 549 F C 2.623 178.645 175.800 0.370 0.000 1.089 549 F CA 2.431 60.634 58.000 0.338 0.000 1.282 549 F CB -0.355 38.784 39.000 0.233 0.000 1.010 549 F HN 0.341 nan 8.300 nan 0.000 0.485 550 A N -0.436 122.563 122.820 0.298 0.000 2.067 550 A HA -0.204 4.131 4.320 0.025 0.000 0.219 550 A C 2.260 179.875 177.584 0.051 0.000 1.158 550 A CA 1.559 53.701 52.037 0.175 0.000 0.661 550 A CB -0.764 18.343 19.000 0.178 0.000 0.801 550 A HN 0.449 nan 8.150 nan 0.000 0.452 551 K N -1.602 118.812 120.400 0.023 0.000 2.097 551 K HA -0.157 4.178 4.320 0.025 0.000 0.205 551 K C 1.614 178.000 176.600 -0.356 0.000 1.050 551 K CA 1.414 57.627 56.287 -0.122 0.000 0.938 551 K CB -0.291 32.136 32.500 -0.121 0.000 0.718 551 K HN 0.540 nan 8.250 nan 0.000 0.442 552 Y N -0.778 119.254 120.300 -0.448 0.000 2.145 552 Y HA -0.225 4.339 4.550 0.024 0.000 0.286 552 Y C 1.887 176.799 175.900 -1.647 0.000 1.145 552 Y CA 1.603 59.064 58.100 -1.064 0.000 1.148 552 Y CB -0.336 37.468 38.460 -1.094 0.000 0.981 552 Y HN 0.170 nan 8.280 nan 0.000 0.507 553 W N -0.105 120.765 121.300 -0.717 0.000 2.402 553 W HA -0.167 4.509 4.660 0.026 0.000 0.286 553 W C 2.592 178.940 176.519 -0.284 0.000 1.221 553 W CA 1.374 58.430 57.345 -0.483 0.000 1.257 553 W CB -0.508 28.768 29.460 -0.306 0.000 1.120 553 W HN 0.035 nan 8.180 nan 0.000 0.551 554 Q N 0.782 120.501 119.800 -0.136 0.000 2.119 554 Q HA -0.153 4.202 4.340 0.025 0.000 0.201 554 Q C 2.156 178.095 176.000 -0.102 0.000 0.972 554 Q CA 1.970 57.733 55.803 -0.067 0.000 0.847 554 Q CB -0.482 28.227 28.738 -0.048 0.000 0.903 554 Q HN 0.274 nan 8.270 nan 0.000 0.433 555 A N 0.093 122.757 122.820 -0.259 0.000 1.897 555 A HA -0.111 4.224 4.320 0.025 0.000 0.215 555 A C 1.802 179.352 177.584 -0.056 0.000 1.181 555 A CA 1.054 52.970 52.037 -0.201 0.000 0.620 555 A CB -0.764 17.988 19.000 -0.415 0.000 0.821 555 A HN 0.357 nan 8.150 nan 0.000 0.443 556 F N 0.284 120.052 119.950 -0.305 0.000 2.161 556 F HA -0.111 4.431 4.527 0.026 0.000 0.300 556 F C 2.490 178.186 175.800 -0.173 0.000 1.089 556 F CA 1.220 59.010 58.000 -0.351 0.000 1.282 556 F CB -0.800 37.757 39.000 -0.737 0.000 1.010 556 F HN 0.181 nan 8.300 nan 0.000 0.485 557 R N -0.337 120.210 120.500 0.078 0.000 2.119 557 R HA -0.117 4.238 4.340 0.025 0.000 0.222 557 R C 2.110 178.444 176.300 0.056 0.000 1.088 557 R CA 0.936 57.071 56.100 0.058 0.000 0.984 557 R CB -0.385 29.947 30.300 0.053 0.000 0.884 557 R HN 0.367 nan 8.270 nan 0.000 0.447 558 Q N -0.326 119.536 119.800 0.105 0.000 2.269 558 Q HA -0.046 4.309 4.340 0.025 0.000 0.201 558 Q C -0.508 175.524 176.000 0.054 0.000 0.946 558 Q CA 0.850 56.707 55.803 0.090 0.000 0.877 558 Q CB 0.423 29.259 28.738 0.163 0.000 0.963 558 Q HN 0.183 nan 8.270 nan 0.000 0.472 559 Y N 0.044 120.324 120.300 -0.033 0.000 2.369 559 Y HA 0.274 4.838 4.550 0.023 0.000 0.337 559 Y C -1.795 174.078 175.900 -0.044 0.000 0.961 559 Y CA -2.818 55.263 58.100 -0.032 0.000 1.186 559 Y CB 1.508 39.954 38.460 -0.024 0.000 1.139 559 Y HN 0.099 nan 8.280 nan 0.000 0.494 560 P HA -0.193 nan 4.420 nan 0.000 0.215 560 P C 1.131 178.430 177.300 -0.001 0.000 1.157 560 P CA 1.886 64.984 63.100 -0.003 0.000 0.874 560 P CB 0.309 31.992 31.700 -0.030 0.000 0.790 561 R N -1.238 119.281 120.500 0.031 0.000 2.316 561 R HA 0.084 4.439 4.340 0.025 0.000 0.202 561 R C 0.494 176.776 176.300 -0.030 0.000 1.029 561 R CA 0.132 56.233 56.100 0.002 0.000 1.018 561 R CB -0.500 29.813 30.300 0.020 0.000 0.888 561 R HN 0.246 nan 8.270 nan 0.000 0.471 562 L N 1.827 123.051 121.223 0.001 0.000 2.295 562 L HA 0.127 4.482 4.340 0.025 0.000 0.288 562 L C 0.539 177.264 176.870 -0.241 0.000 1.079 562 L CA 0.185 54.973 54.840 -0.086 0.000 0.830 562 L CB 1.161 43.245 42.059 0.041 0.000 1.200 562 L HN 0.085 nan 8.230 nan 0.000 0.438 563 Q N 2.925 122.507 119.800 -0.363 0.000 2.201 563 Q HA 0.308 4.663 4.340 0.025 0.000 0.236 563 Q C 0.802 176.395 176.000 -0.679 0.000 0.857 563 Q CA 0.085 55.640 55.803 -0.413 0.000 1.025 563 Q CB 1.104 29.690 28.738 -0.252 0.000 1.124 563 Q HN 0.970 nan 8.270 nan 0.000 0.473 564 G N -0.219 107.784 108.800 -1.328 0.000 2.445 564 G HA2 0.049 4.024 3.960 0.025 0.000 0.212 564 G HA3 0.049 4.024 3.960 0.025 0.000 0.212 564 G C -0.222 173.866 174.900 -1.353 0.000 1.217 564 G CA -0.736 43.176 45.100 -1.979 0.000 1.002 564 G HN 0.593 nan 8.290 nan 0.000 0.574 565 G N -2.242 106.065 108.800 -0.823 0.000 2.441 565 G HA2 0.645 4.620 3.960 0.025 0.000 0.294 565 G HA3 0.645 4.620 3.960 0.025 0.000 0.294 565 G C -1.813 173.031 174.900 -0.094 0.000 1.393 565 G CA -0.297 44.557 45.100 -0.411 0.000 0.796 565 G HN 1.111 nan 8.290 nan 0.000 0.494 566 F N 0.828 121.040 119.950 0.437 0.000 2.375 566 F HA 0.504 5.045 4.527 0.023 0.000 0.361 566 F C 0.823 176.910 175.800 0.478 0.000 1.117 566 F CA -0.709 57.561 58.000 0.451 0.000 1.037 566 F CB 1.947 41.111 39.000 0.274 0.000 1.192 566 F HN 0.237 nan 8.300 nan 0.000 0.452 567 V N 3.417 123.609 119.914 0.464 0.000 2.901 567 V HA -0.160 3.975 4.120 0.025 0.000 0.307 567 V C -0.185 176.044 176.094 0.226 0.000 1.084 567 V CA -0.187 62.172 62.300 0.098 0.000 1.184 567 V CB 0.688 32.614 31.823 0.171 0.000 0.941 567 V HN 0.759 nan 8.190 nan 0.000 0.493 568 W N 6.428 127.796 121.300 0.112 0.000 2.278 568 W HA 0.458 5.132 4.660 0.024 0.000 0.317 568 W C -0.834 175.703 176.519 0.031 0.000 1.030 568 W CA -0.675 56.780 57.345 0.183 0.000 1.334 568 W CB 1.319 31.044 29.460 0.443 0.000 1.215 568 W HN 0.916 nan 8.180 nan 0.000 0.405 569 D N 2.828 122.895 120.400 -0.554 0.000 2.812 569 D HA 0.104 4.759 4.640 0.025 0.000 0.318 569 D C 0.674 176.780 176.300 -0.324 0.000 1.234 569 D CA -0.564 53.002 54.000 -0.723 0.000 0.989 569 D CB 0.203 40.037 40.800 -1.610 0.000 1.442 569 D HN 0.423 nan 8.370 nan 0.000 0.537 570 W N 0.395 121.425 121.300 -0.450 0.000 2.380 570 W HA 0.128 4.803 4.660 0.025 0.000 0.317 570 W C -0.139 176.236 176.519 -0.240 0.000 1.196 570 W CA 1.086 58.234 57.345 -0.328 0.000 1.307 570 W CB 0.332 29.610 29.460 -0.303 0.000 1.157 570 W HN 0.150 nan 8.180 nan 0.000 0.483 571 V N 2.788 122.513 119.914 -0.316 0.000 2.638 571 V HA 0.232 4.367 4.120 0.025 0.000 0.306 571 V C -0.861 175.100 176.094 -0.221 0.000 1.052 571 V CA -0.819 61.264 62.300 -0.361 0.000 0.885 571 V CB 1.432 33.138 31.823 -0.195 0.000 0.999 571 V HN -0.089 nan 8.190 nan 0.000 0.424 572 D N 4.283 124.565 120.400 -0.196 0.000 2.525 572 D HA 0.072 4.727 4.640 0.025 0.000 0.235 572 D C 0.295 176.465 176.300 -0.217 0.000 1.137 572 D CA 0.701 54.613 54.000 -0.148 0.000 0.868 572 D CB 0.853 41.635 40.800 -0.031 0.000 1.180 572 D HN 0.627 nan 8.370 nan 0.000 0.465 573 Q N 1.097 120.695 119.800 -0.337 0.000 3.122 573 Q HA 0.141 4.496 4.340 0.025 0.000 0.360 573 Q C -0.087 175.859 176.000 -0.090 0.000 1.300 573 Q CA -0.364 54.996 55.803 -0.737 0.000 0.982 573 Q CB 0.136 28.563 28.738 -0.518 0.000 1.534 573 Q HN 0.365 nan 8.270 nan 0.000 0.474 574 S N -0.205 115.553 115.700 0.097 0.000 2.646 574 S HA 0.643 5.128 4.470 0.025 0.000 0.276 574 S C -0.127 174.631 174.600 0.263 0.000 1.222 574 S CA -0.761 57.604 58.200 0.276 0.000 1.014 574 S CB 1.409 64.756 63.200 0.245 0.000 0.991 574 S HN 0.335 nan 8.310 nan 0.000 0.533 575 L N 1.577 122.873 121.223 0.122 0.000 2.354 575 L HA 0.528 4.883 4.340 0.025 0.000 0.269 575 L C -0.482 176.291 176.870 -0.161 0.000 1.005 575 L CA -1.216 53.577 54.840 -0.079 0.000 0.819 575 L CB 1.504 43.400 42.059 -0.273 0.000 1.311 575 L HN 0.554 nan 8.230 nan 0.000 0.423 576 I N 2.347 122.761 120.570 -0.259 0.000 2.441 576 I HA 0.259 4.444 4.170 0.025 0.000 0.287 576 I C 0.146 175.855 176.117 -0.680 0.000 1.049 576 I CA -0.002 61.015 61.300 -0.471 0.000 1.381 576 I CB 1.010 38.739 38.000 -0.451 0.000 1.409 576 I HN 0.574 nan 8.210 nan 0.000 0.523 577 K N 5.392 125.117 120.400 -1.123 0.000 2.350 577 K HA 0.566 4.901 4.320 0.025 0.000 0.241 577 K C -1.548 174.232 176.600 -1.367 0.000 0.994 577 K CA -0.709 54.836 56.287 -1.237 0.000 0.839 577 K CB 2.276 33.786 32.500 -1.650 0.000 1.244 577 K HN 0.223 nan 8.250 nan 0.000 0.443 578 Y N 0.811 120.856 120.300 -0.425 0.000 2.409 578 Y HA 0.129 4.694 4.550 0.025 0.000 0.343 578 Y C 0.235 176.206 175.900 0.118 0.000 0.973 578 Y CA -1.031 56.998 58.100 -0.119 0.000 1.064 578 Y CB 1.283 39.696 38.460 -0.077 0.000 1.207 578 Y HN 0.694 nan 8.280 nan 0.000 0.452 579 D N 0.190 120.831 120.400 0.401 0.000 2.440 579 D HA 0.015 4.670 4.640 0.025 0.000 0.269 579 D C 1.014 177.428 176.300 0.190 0.000 1.249 579 D CA -0.231 53.968 54.000 0.332 0.000 1.055 579 D CB 0.313 41.257 40.800 0.241 0.000 1.104 579 D HN 0.746 nan 8.370 nan 0.000 0.561 580 E N -0.516 119.756 120.200 0.121 0.000 2.130 580 E HA -0.267 4.098 4.350 0.025 0.000 0.196 580 E C 0.698 177.336 176.600 0.063 0.000 0.998 580 E CA 1.224 57.667 56.400 0.073 0.000 0.806 580 E CB -0.545 29.180 29.700 0.042 0.000 0.738 580 E HN 0.348 nan 8.360 nan 0.000 0.459 581 N N 0.457 119.201 118.700 0.073 0.000 2.370 581 N HA 0.084 4.839 4.740 0.025 0.000 0.198 581 N C 0.888 176.440 175.510 0.071 0.000 1.156 581 N CA 0.814 53.899 53.050 0.058 0.000 0.839 581 N CB 1.076 39.595 38.487 0.053 0.000 0.989 581 N HN 0.473 nan 8.380 nan 0.000 0.468 582 G N 0.692 109.554 108.800 0.103 0.000 2.159 582 G HA2 -0.259 3.716 3.960 0.025 0.000 0.256 582 G HA3 -0.259 3.716 3.960 0.025 0.000 0.256 582 G C -0.150 174.879 174.900 0.216 0.000 0.977 582 G CA -0.332 44.831 45.100 0.105 0.000 0.652 582 G HN 0.333 nan 8.290 nan 0.000 0.531 583 N N 1.841 120.674 118.700 0.220 0.000 2.518 583 N HA 0.443 5.198 4.740 0.025 0.000 0.283 583 N C -2.511 173.151 175.510 0.254 0.000 1.119 583 N CA -1.015 52.169 53.050 0.223 0.000 0.983 583 N CB 1.757 40.339 38.487 0.158 0.000 1.139 583 N HN 0.197 nan 8.380 nan 0.000 0.465 584 P HA 0.307 nan 4.420 nan 0.000 0.277 584 P C -0.546 176.723 177.300 -0.051 0.000 1.240 584 P CA -0.331 62.655 63.100 -0.190 0.000 0.798 584 P CB 0.810 32.385 31.700 -0.208 0.000 0.979 585 W N -1.064 119.996 121.300 -0.400 0.000 3.137 585 W HA 0.436 5.111 4.660 0.025 0.000 0.324 585 W C -1.576 174.755 176.519 -0.313 0.000 1.253 585 W CA -1.026 56.090 57.345 -0.382 0.000 1.183 585 W CB 0.388 29.389 29.460 -0.765 0.000 1.424 585 W HN 0.103 nan 8.180 nan 0.000 0.566 586 S N 1.407 117.207 115.700 0.166 0.000 2.452 586 S HA 0.632 5.117 4.470 0.025 0.000 0.284 586 S C 0.079 174.881 174.600 0.337 0.000 1.171 586 S CA -0.291 57.995 58.200 0.144 0.000 1.064 586 S CB 0.952 64.288 63.200 0.226 0.000 0.967 586 S HN 0.613 nan 8.310 nan 0.000 0.484 587 A N 3.011 125.890 122.820 0.098 0.000 2.337 587 A HA 0.893 5.228 4.320 0.025 0.000 0.331 587 A C -0.746 177.103 177.584 0.442 0.000 1.137 587 A CA -0.712 51.416 52.037 0.152 0.000 0.807 587 A CB 0.669 19.452 19.000 -0.363 0.000 1.250 587 A HN 0.844 nan 8.150 nan 0.000 0.468 588 Y N -0.598 120.020 120.300 0.529 0.000 3.048 588 Y HA 0.783 5.348 4.550 0.025 0.000 0.305 588 Y C 0.656 176.915 175.900 0.600 0.000 1.538 588 Y CA -1.360 57.050 58.100 0.516 0.000 1.082 588 Y CB -0.085 38.511 38.460 0.226 0.000 1.388 588 Y HN 0.882 nan 8.280 nan 0.000 0.557 589 G N -0.330 108.882 108.800 0.686 0.000 2.353 589 G HA2 0.383 4.358 3.960 0.025 0.000 0.239 589 G HA3 0.383 4.358 3.960 0.025 0.000 0.239 589 G C 0.916 176.135 174.900 0.531 0.000 1.295 589 G CA 0.341 45.762 45.100 0.534 0.000 0.884 589 G HN 1.958 nan 8.290 nan 0.000 0.537 590 G N 2.026 111.102 108.800 0.461 0.000 2.268 590 G HA2 -0.274 3.700 3.960 0.025 0.000 0.240 590 G HA3 -0.274 3.700 3.960 0.025 0.000 0.240 590 G C 0.901 175.983 174.900 0.305 0.000 1.010 590 G CA 0.638 45.943 45.100 0.342 0.000 0.618 590 G HN 0.634 nan 8.290 nan 0.000 0.516 591 D N -0.152 120.440 120.400 0.320 0.000 2.378 591 D HA 0.161 4.816 4.640 0.025 0.000 0.227 591 D C 1.104 177.250 176.300 -0.257 0.000 1.012 591 D CA 0.486 54.507 54.000 0.034 0.000 0.905 591 D CB -0.188 40.573 40.800 -0.065 0.000 0.895 591 D HN 0.467 nan 8.370 nan 0.000 0.532 592 F N -0.878 119.186 119.950 0.189 0.000 2.735 592 F HA 0.310 4.852 4.527 0.025 0.000 0.304 592 F C 1.717 177.596 175.800 0.132 0.000 1.119 592 F CA -0.301 57.770 58.000 0.118 0.000 1.280 592 F CB 0.769 39.833 39.000 0.106 0.000 0.994 592 F HN -0.065 nan 8.300 nan 0.000 0.520 593 G N 0.436 109.382 108.800 0.243 0.000 2.162 593 G HA2 -0.282 3.693 3.960 0.025 0.000 0.260 593 G HA3 -0.282 3.693 3.960 0.025 0.000 0.260 593 G C -0.195 174.836 174.900 0.218 0.000 0.976 593 G CA 0.198 45.414 45.100 0.193 0.000 0.655 593 G HN 0.415 nan 8.290 nan 0.000 0.533 594 D N 0.451 121.027 120.400 0.294 0.000 2.383 594 D HA 0.494 5.149 4.640 0.025 0.000 0.252 594 D C 0.106 176.518 176.300 0.187 0.000 1.166 594 D CA 0.869 55.027 54.000 0.262 0.000 0.879 594 D CB 1.629 42.640 40.800 0.352 0.000 1.164 594 D HN 0.294 nan 8.370 nan 0.000 0.462 595 T N 1.258 115.894 114.554 0.135 0.000 3.097 595 T HA 0.431 4.796 4.350 0.025 0.000 0.332 595 T C -2.728 172.004 174.700 0.053 0.000 1.269 595 T CA -1.177 60.976 62.100 0.088 0.000 1.076 595 T CB 1.188 70.107 68.868 0.086 0.000 1.209 595 T HN 0.211 nan 8.240 nan 0.000 0.474 596 P HA 0.495 nan 4.420 nan 0.000 0.272 596 P C -0.943 176.342 177.300 -0.026 0.000 1.240 596 P CA -0.342 62.754 63.100 -0.008 0.000 0.791 596 P CB 0.380 32.050 31.700 -0.049 0.000 0.978 597 N N -1.817 116.863 118.700 -0.033 0.000 2.732 597 N HA 0.299 5.054 4.740 0.025 0.000 0.259 597 N C -1.165 174.280 175.510 -0.108 0.000 1.402 597 N CA -0.760 52.243 53.050 -0.078 0.000 0.829 597 N CB 0.828 39.362 38.487 0.078 0.000 1.495 597 N HN 0.089 nan 8.380 nan 0.000 0.511 598 D N -0.299 119.982 120.400 -0.198 0.000 2.670 598 D HA 0.145 4.800 4.640 0.025 0.000 0.255 598 D C 0.378 176.875 176.300 0.329 0.000 1.286 598 D CA -0.126 53.850 54.000 -0.039 0.000 0.830 598 D CB 0.236 40.874 40.800 -0.270 0.000 1.065 598 D HN 0.726 nan 8.370 nan 0.000 0.486 599 R N 0.783 121.478 120.500 0.325 0.000 3.772 599 R HA -0.317 4.038 4.340 0.025 0.000 0.480 599 R C 1.014 177.382 176.300 0.114 0.000 0.241 599 R CA 1.463 57.761 56.100 0.330 0.000 1.508 599 R CB -1.607 28.806 30.300 0.188 0.000 0.956 599 R HN 0.154 nan 8.270 nan 0.000 0.583 600 Q N 1.471 121.003 119.800 -0.446 0.000 2.415 600 Q HA 0.028 4.383 4.340 0.025 0.000 0.206 600 Q C 1.325 177.045 176.000 -0.467 0.000 0.946 600 Q CA 1.079 56.420 55.803 -0.771 0.000 0.951 600 Q CB 0.112 28.155 28.738 -1.159 0.000 1.026 600 Q HN 0.593 nan 8.270 nan 0.000 0.510 601 F N 1.352 121.242 119.950 -0.100 0.000 2.771 601 F HA -0.047 4.495 4.527 0.025 0.000 0.299 601 F C 2.025 177.789 175.800 -0.061 0.000 1.177 601 F CA 0.574 58.589 58.000 0.024 0.000 1.450 601 F CB -0.081 39.000 39.000 0.135 0.000 1.114 601 F HN 0.407 nan 8.300 nan 0.000 0.587 602 C N -1.487 117.559 119.300 -0.423 0.000 2.562 602 C HA 0.239 4.714 4.460 0.025 0.000 0.266 602 C C 1.039 175.837 174.990 -0.321 0.000 1.382 602 C CA -0.461 58.115 59.018 -0.736 0.000 1.742 602 C CB -1.586 25.186 27.740 -1.614 0.000 1.812 602 C HN 0.178 nan 8.230 nan 0.000 0.559 603 M N 2.733 122.193 119.600 -0.232 0.000 2.208 603 M HA 0.274 4.769 4.480 0.025 0.000 0.352 603 M C -0.457 175.724 176.300 -0.198 0.000 1.137 603 M CA 0.344 55.538 55.300 -0.177 0.000 1.091 603 M CB -0.104 32.414 32.600 -0.136 0.000 1.309 603 M HN 0.374 nan 8.290 nan 0.000 0.408 604 N N 0.847 119.439 118.700 -0.181 0.000 2.299 604 N HA 0.212 4.967 4.740 0.025 0.000 0.246 604 N C 0.337 175.662 175.510 -0.309 0.000 1.254 604 N CA -0.545 52.351 53.050 -0.256 0.000 0.879 604 N CB 1.218 39.631 38.487 -0.124 0.000 1.214 604 N HN 0.635 nan 8.380 nan 0.000 0.510 605 G N -0.021 108.613 108.800 -0.277 0.000 2.451 605 G HA2 0.361 4.336 3.960 0.025 0.000 0.303 605 G HA3 0.361 4.336 3.960 0.025 0.000 0.303 605 G C 0.735 175.493 174.900 -0.237 0.000 1.166 605 G CA -0.572 44.348 45.100 -0.300 0.000 0.884 605 G HN 0.099 nan 8.290 nan 0.000 0.514 606 L N 0.073 121.102 121.223 -0.323 0.000 2.291 606 L HA 0.065 4.420 4.340 0.025 0.000 0.214 606 L C 1.068 177.735 176.870 -0.339 0.000 1.120 606 L CA 0.550 55.225 54.840 -0.276 0.000 0.799 606 L CB -0.381 41.490 42.059 -0.314 0.000 0.925 606 L HN 0.402 nan 8.230 nan 0.000 0.446 607 V N -4.832 114.710 119.914 -0.620 0.000 2.864 607 V HA 0.459 4.594 4.120 0.025 0.000 0.314 607 V C -0.103 175.619 176.094 -0.619 0.000 1.073 607 V CA -1.265 60.627 62.300 -0.681 0.000 0.956 607 V CB 1.531 32.886 31.823 -0.779 0.000 1.023 607 V HN -0.155 nan 8.190 nan 0.000 0.435 608 F N 1.802 121.356 119.950 -0.660 0.000 2.480 608 F HA 0.539 5.081 4.527 0.025 0.000 0.319 608 F C 1.944 177.593 175.800 -0.252 0.000 1.230 608 F CA 0.719 58.479 58.000 -0.399 0.000 1.285 608 F CB 0.678 39.461 39.000 -0.363 0.000 1.208 608 F HN 0.775 nan 8.300 nan 0.000 0.579 609 A N 0.660 123.527 122.820 0.078 0.000 1.986 609 A HA -0.224 4.111 4.320 0.025 0.000 0.220 609 A C 1.599 179.146 177.584 -0.062 0.000 1.171 609 A CA 1.919 53.974 52.037 0.031 0.000 0.640 609 A CB -1.017 18.041 19.000 0.097 0.000 0.811 609 A HN 0.783 nan 8.150 nan 0.000 0.451 610 D N -3.033 117.332 120.400 -0.059 0.000 2.319 610 D HA 0.147 4.802 4.640 0.025 0.000 0.230 610 D C 0.665 176.923 176.300 -0.069 0.000 1.094 610 D CA 0.018 53.956 54.000 -0.102 0.000 0.856 610 D CB -0.060 40.676 40.800 -0.107 0.000 0.915 610 D HN 0.214 nan 8.370 nan 0.000 0.517 611 R N -1.923 118.538 120.500 -0.066 0.000 3.728 611 R HA -0.123 4.232 4.340 0.025 0.000 0.478 611 R C -0.196 176.066 176.300 -0.063 0.000 0.932 611 R CA 1.089 57.151 56.100 -0.063 0.000 1.317 611 R CB -3.209 27.108 30.300 0.028 0.000 1.987 611 R HN 0.258 nan 8.270 nan 0.000 0.509 612 T N 2.586 117.110 114.554 -0.049 0.000 2.916 612 T HA 0.322 4.687 4.350 0.025 0.000 0.303 612 T C -2.285 172.398 174.700 -0.028 0.000 1.025 612 T CA -0.542 61.536 62.100 -0.036 0.000 1.142 612 T CB 0.948 69.757 68.868 -0.099 0.000 0.947 612 T HN -0.082 nan 8.240 nan 0.000 0.544 613 P HA 0.285 nan 4.420 nan 0.000 0.278 613 P C -0.401 176.820 177.300 -0.133 0.000 1.238 613 P CA -0.414 62.607 63.100 -0.131 0.000 0.794 613 P CB 0.480 32.151 31.700 -0.049 0.000 0.955 614 H N 2.440 121.386 119.070 -0.208 0.000 2.546 614 H HA 0.129 4.699 4.556 0.025 0.000 0.365 614 H C -1.224 174.022 175.328 -0.138 0.000 1.220 614 H CA -1.256 54.633 56.048 -0.264 0.000 1.386 614 H CB 0.003 29.552 29.762 -0.355 0.000 1.510 614 H HN 0.375 nan 8.280 nan 0.000 0.591 615 P HA -0.175 nan 4.420 nan 0.000 0.219 615 P C 0.970 178.277 177.300 0.012 0.000 1.146 615 P CA 1.573 64.679 63.100 0.010 0.000 0.808 615 P CB 0.062 31.770 31.700 0.014 0.000 0.779 616 A N -0.616 122.204 122.820 0.000 0.000 2.019 616 A HA -0.176 4.159 4.320 0.025 0.000 0.219 616 A C 2.046 179.589 177.584 -0.070 0.000 1.164 616 A CA 1.155 53.154 52.037 -0.063 0.000 0.644 616 A CB -1.546 17.377 19.000 -0.129 0.000 0.805 616 A HN 0.158 nan 8.150 nan 0.000 0.449 617 L N -0.581 120.629 121.223 -0.022 0.000 2.083 617 L HA -0.112 4.243 4.340 0.025 0.000 0.209 617 L C 2.520 179.446 176.870 0.092 0.000 1.083 617 L CA 2.648 57.511 54.840 0.038 0.000 0.752 617 L CB -0.949 41.135 42.059 0.041 0.000 0.899 617 L HN 0.383 nan 8.230 nan 0.000 0.433 618 T N -1.739 112.872 114.554 0.096 0.000 2.867 618 T HA -0.187 4.178 4.350 0.025 0.000 0.268 618 T C 1.798 176.615 174.700 0.196 0.000 1.057 618 T CA 1.401 63.612 62.100 0.185 0.000 1.136 618 T CB -0.088 68.868 68.868 0.146 0.000 0.874 618 T HN 0.456 nan 8.240 nan 0.000 0.466 619 E N 0.750 121.004 120.200 0.091 0.000 2.072 619 E HA 0.083 4.448 4.350 0.025 0.000 0.191 619 E C 2.185 178.808 176.600 0.038 0.000 0.985 619 E CA 1.306 57.764 56.400 0.095 0.000 0.801 619 E CB -0.597 29.124 29.700 0.035 0.000 0.750 619 E HN 0.533 nan 8.360 nan 0.000 0.452 620 A N 1.008 123.742 122.820 -0.144 0.000 1.877 620 A HA -0.227 4.108 4.320 0.025 0.000 0.216 620 A C 2.170 179.651 177.584 -0.172 0.000 1.186 620 A CA 1.925 53.825 52.037 -0.228 0.000 0.620 620 A CB -0.633 18.232 19.000 -0.225 0.000 0.822 620 A HN 0.257 nan 8.150 nan 0.000 0.443 621 K N -1.314 119.064 120.400 -0.036 0.000 2.063 621 K HA -0.291 4.044 4.320 0.025 0.000 0.208 621 K C 2.064 178.572 176.600 -0.153 0.000 1.048 621 K CA 2.044 58.319 56.287 -0.020 0.000 0.928 621 K CB -0.327 32.320 32.500 0.246 0.000 0.713 621 K HN 0.656 nan 8.250 nan 0.000 0.442 622 H N 0.232 119.132 119.070 -0.283 0.000 2.357 622 H HA -0.000 4.571 4.556 0.025 0.000 0.301 622 H C 1.890 176.955 175.328 -0.438 0.000 1.082 622 H CA 1.662 57.345 56.048 -0.609 0.000 1.342 622 H CB 0.151 29.598 29.762 -0.525 0.000 1.389 622 H HN 0.219 nan 8.280 nan 0.000 0.511 623 Q N 0.152 119.729 119.800 -0.372 0.000 2.297 623 Q HA -0.048 4.307 4.340 0.025 0.000 0.204 623 Q C 1.365 176.844 176.000 -0.869 0.000 0.962 623 Q CA 0.943 56.445 55.803 -0.502 0.000 0.879 623 Q CB 0.173 28.774 28.738 -0.228 0.000 0.947 623 Q HN 0.697 nan 8.270 nan 0.000 0.462 624 Q N 0.114 119.349 119.800 -0.941 0.000 2.280 624 Q HA 0.087 4.442 4.340 0.025 0.000 0.202 624 Q C -0.109 175.344 176.000 -0.911 0.000 0.903 624 Q CA -0.207 54.877 55.803 -1.198 0.000 0.948 624 Q CB 0.380 28.462 28.738 -1.092 0.000 1.058 624 Q HN 0.363 nan 8.270 nan 0.000 0.493 625 Q N -0.492 118.928 119.800 -0.633 0.000 2.428 625 Q HA -0.044 4.311 4.340 0.025 0.000 0.276 625 Q C -0.109 175.558 176.000 -0.555 0.000 1.059 625 Q CA 0.453 56.022 55.803 -0.390 0.000 0.923 625 Q CB 0.462 29.038 28.738 -0.269 0.000 1.283 625 Q HN 0.314 nan 8.270 nan 0.000 0.447 626 F N 0.227 119.957 119.950 -0.367 0.000 2.727 626 F HA 0.218 4.760 4.527 0.024 0.000 0.302 626 F C -0.216 175.028 175.800 -0.926 0.000 1.097 626 F CA -0.045 57.499 58.000 -0.759 0.000 1.330 626 F CB 0.584 38.832 39.000 -1.253 0.000 1.084 626 F HN 0.301 nan 8.300 nan 0.000 0.578 627 F N 0.294 120.177 119.950 -0.113 0.000 2.540 627 F HA 0.502 5.044 4.527 0.026 0.000 0.317 627 F C -0.112 175.349 175.800 -0.564 0.000 1.104 627 F CA -1.124 56.703 58.000 -0.288 0.000 0.913 627 F CB 1.301 40.166 39.000 -0.225 0.000 1.170 627 F HN -0.326 nan 8.300 nan 0.000 0.450 628 Q N 2.768 122.301 119.800 -0.444 0.000 2.301 628 Q HA 0.605 4.960 4.340 0.025 0.000 0.267 628 Q C -1.353 174.337 176.000 -0.517 0.000 1.035 628 Q CA -0.641 54.934 55.803 -0.381 0.000 0.856 628 Q CB 2.800 31.447 28.738 -0.153 0.000 1.337 628 Q HN 0.539 nan 8.270 nan 0.000 0.450 629 F N -0.002 120.079 119.950 0.217 0.000 2.588 629 F HA 0.618 5.161 4.527 0.026 0.000 0.314 629 F C 0.287 176.319 175.800 0.386 0.000 1.069 629 F CA -0.822 57.377 58.000 0.333 0.000 0.931 629 F CB 2.066 41.394 39.000 0.547 0.000 1.260 629 F HN 0.162 nan 8.300 nan 0.000 0.465 630 R N 1.208 122.002 120.500 0.489 0.000 2.771 630 R HA 0.748 5.103 4.340 0.025 0.000 0.274 630 R C -2.054 174.291 176.300 0.075 0.000 0.987 630 R CA -1.230 55.082 56.100 0.353 0.000 0.908 630 R CB 2.981 33.394 30.300 0.188 0.000 1.213 630 R HN 0.568 nan 8.270 nan 0.000 0.468 631 L N 0.406 121.546 121.223 -0.138 0.000 2.365 631 L HA 0.601 4.956 4.340 0.025 0.000 0.273 631 L C -1.130 175.589 176.870 -0.252 0.000 1.000 631 L CA 0.035 54.584 54.840 -0.485 0.000 0.819 631 L CB 2.215 43.541 42.059 -1.221 0.000 1.284 631 L HN 0.560 nan 8.230 nan 0.000 0.418 632 S N 3.719 119.290 115.700 -0.215 0.000 2.673 632 S HA 0.657 5.142 4.470 0.025 0.000 0.256 632 S C 0.293 174.805 174.600 -0.148 0.000 1.141 632 S CA 0.243 58.360 58.200 -0.138 0.000 1.109 632 S CB 0.206 63.359 63.200 -0.079 0.000 1.101 632 S HN 1.649 nan 8.310 nan 0.000 0.471 633 G N 4.610 113.320 108.800 -0.150 0.000 2.620 633 G HA2 -0.362 3.613 3.960 0.025 0.000 0.315 633 G HA3 -0.362 3.613 3.960 0.025 0.000 0.315 633 G C 0.557 175.346 174.900 -0.185 0.000 1.179 633 G CA 1.014 46.029 45.100 -0.143 0.000 0.971 633 G HN 0.722 nan 8.290 nan 0.000 0.544 634 Q N 1.162 120.860 119.800 -0.171 0.000 2.282 634 Q HA 0.356 4.710 4.340 0.025 0.000 0.206 634 Q C 0.606 176.470 176.000 -0.226 0.000 0.878 634 Q CA 0.927 56.605 55.803 -0.208 0.000 0.944 634 Q CB 0.438 29.075 28.738 -0.168 0.000 1.100 634 Q HN 0.586 nan 8.270 nan 0.000 0.509 635 T N 0.382 114.820 114.554 -0.194 0.000 2.767 635 T HA 0.494 4.859 4.350 0.025 0.000 0.288 635 T C -0.154 174.422 174.700 -0.206 0.000 0.963 635 T CA -0.351 61.646 62.100 -0.171 0.000 1.019 635 T CB 0.946 69.748 68.868 -0.109 0.000 0.923 635 T HN 0.053 nan 8.240 nan 0.000 0.468 636 I N 2.806 123.267 120.570 -0.181 0.000 2.354 636 I HA 0.306 4.491 4.170 0.025 0.000 0.292 636 I C 0.458 176.577 176.117 0.004 0.000 0.989 636 I CA -0.529 60.688 61.300 -0.138 0.000 1.188 636 I CB 1.353 39.287 38.000 -0.111 0.000 1.342 636 I HN 0.603 nan 8.210 nan 0.000 0.457 637 E N 6.846 127.085 120.200 0.065 0.000 2.129 637 E HA 0.449 4.814 4.350 0.025 0.000 0.268 637 E C -1.597 175.101 176.600 0.164 0.000 0.900 637 E CA -0.613 55.843 56.400 0.094 0.000 0.755 637 E CB 1.585 31.326 29.700 0.068 0.000 1.117 637 E HN 0.351 nan 8.360 nan 0.000 0.410 638 V N 4.120 124.123 119.914 0.148 0.000 2.394 638 V HA 0.336 4.471 4.120 0.025 0.000 0.282 638 V C 0.040 176.174 176.094 0.067 0.000 1.031 638 V CA -0.478 61.888 62.300 0.109 0.000 0.881 638 V CB 1.679 33.599 31.823 0.163 0.000 0.982 638 V HN 0.722 nan 8.190 nan 0.000 0.451 639 T N 3.212 117.765 114.554 -0.001 0.000 2.829 639 T HA 0.349 4.714 4.350 0.025 0.000 0.280 639 T C -0.139 174.573 174.700 0.020 0.000 0.999 639 T CA -0.273 61.836 62.100 0.015 0.000 0.983 639 T CB 1.619 70.469 68.868 -0.030 0.000 0.968 639 T HN 0.677 nan 8.240 nan 0.000 0.446 640 S N 1.635 117.353 115.700 0.029 0.000 2.499 640 S HA 0.230 4.715 4.470 0.025 0.000 0.279 640 S C 0.738 175.219 174.600 -0.199 0.000 1.219 640 S CA -0.542 57.602 58.200 -0.092 0.000 1.062 640 S CB 0.545 63.764 63.200 0.033 0.000 0.978 640 S HN 0.720 nan 8.310 nan 0.000 0.489 641 E N 3.015 122.993 120.200 -0.371 0.000 2.476 641 E HA 0.091 4.456 4.350 0.025 0.000 0.196 641 E C -0.772 175.654 176.600 -0.291 0.000 1.029 641 E CA -0.121 56.102 56.400 -0.296 0.000 0.896 641 E CB 0.266 29.777 29.700 -0.316 0.000 1.012 641 E HN 0.659 nan 8.360 nan 0.000 0.475 642 Y N 0.481 120.662 120.300 -0.198 0.000 2.480 642 Y HA -0.032 4.533 4.550 0.025 0.000 0.338 642 Y C 1.404 177.137 175.900 -0.278 0.000 1.220 642 Y CA 0.447 58.426 58.100 -0.202 0.000 1.430 642 Y CB 0.589 38.913 38.460 -0.226 0.000 1.311 642 Y HN -0.024 nan 8.280 nan 0.000 0.575 643 L N 0.966 122.028 121.223 -0.269 0.000 2.463 643 L HA 0.044 4.399 4.340 0.025 0.000 0.219 643 L C 0.577 177.023 176.870 -0.706 0.000 1.088 643 L CA 0.506 54.943 54.840 -0.672 0.000 0.849 643 L CB 0.034 41.280 42.059 -1.356 0.000 1.012 643 L HN 0.570 nan 8.230 nan 0.000 0.468 644 F N -0.659 119.297 119.950 0.010 0.000 2.577 644 F HA 0.208 4.749 4.527 0.023 0.000 0.282 644 F C 1.250 177.031 175.800 -0.031 0.000 0.957 644 F CA -0.709 57.275 58.000 -0.026 0.000 1.168 644 F CB 0.044 39.014 39.000 -0.050 0.000 0.958 644 F HN -0.145 nan 8.300 nan 0.000 0.702 645 R N 0.574 121.121 120.500 0.078 0.000 2.536 645 R HA 0.372 4.727 4.340 0.025 0.000 0.279 645 R C -0.458 175.822 176.300 -0.033 0.000 1.001 645 R CA -0.521 55.575 56.100 -0.006 0.000 1.027 645 R CB 0.670 30.859 30.300 -0.185 0.000 1.096 645 R HN 0.127 nan 8.270 nan 0.000 0.502 646 H N 0.584 119.648 119.070 -0.011 0.000 2.546 646 H HA 0.036 4.607 4.556 0.025 0.000 0.365 646 H C 0.231 175.580 175.328 0.036 0.000 1.220 646 H CA 0.253 56.324 56.048 0.038 0.000 1.386 646 H CB 1.536 31.326 29.762 0.047 0.000 1.510 646 H HN 0.775 nan 8.280 nan 0.000 0.591 647 S N 0.950 116.794 115.700 0.240 0.000 4.175 647 S HA -0.054 4.431 4.470 0.025 0.000 0.193 647 S C 0.312 175.014 174.600 0.170 0.000 1.373 647 S CA -0.668 57.684 58.200 0.253 0.000 0.908 647 S CB -0.801 62.609 63.200 0.350 0.000 1.547 647 S HN 0.570 nan 8.310 nan 0.000 0.440 648 D N 0.681 121.154 120.400 0.122 0.000 2.325 648 D HA 0.060 4.715 4.640 0.025 0.000 0.234 648 D C 0.280 176.620 176.300 0.066 0.000 1.122 648 D CA -0.262 53.789 54.000 0.085 0.000 0.850 648 D CB -0.380 40.456 40.800 0.060 0.000 0.921 648 D HN 0.495 nan 8.370 nan 0.000 0.513 649 N N 0.093 118.844 118.700 0.085 0.000 2.639 649 N HA 0.151 4.906 4.740 0.025 0.000 0.265 649 N C -1.597 173.976 175.510 0.105 0.000 1.689 649 N CA -0.174 52.920 53.050 0.074 0.000 0.813 649 N CB 0.302 38.825 38.487 0.060 0.000 1.353 649 N HN -0.038 nan 8.380 nan 0.000 0.510 650 E N 0.076 120.331 120.200 0.091 0.000 2.352 650 E HA 0.525 4.890 4.350 0.025 0.000 0.280 650 E C -1.281 175.349 176.600 0.051 0.000 0.930 650 E CA -0.720 55.725 56.400 0.077 0.000 0.765 650 E CB 2.132 31.855 29.700 0.039 0.000 1.219 650 E HN 0.302 nan 8.360 nan 0.000 0.434 651 L N -0.005 121.253 121.223 0.058 0.000 2.393 651 L HA 0.727 5.082 4.340 0.025 0.000 0.260 651 L C -1.495 175.433 176.870 0.097 0.000 1.002 651 L CA -1.273 53.610 54.840 0.072 0.000 0.818 651 L CB 1.438 43.544 42.059 0.078 0.000 1.369 651 L HN 0.540 nan 8.230 nan 0.000 0.412 652 L N 2.393 123.694 121.223 0.129 0.000 2.272 652 L HA 0.460 4.815 4.340 0.025 0.000 0.289 652 L C -0.402 176.605 176.870 0.229 0.000 1.032 652 L CA 0.018 54.969 54.840 0.185 0.000 0.810 652 L CB 0.772 42.952 42.059 0.202 0.000 1.205 652 L HN 0.667 nan 8.230 nan 0.000 0.422 653 H N 6.088 125.234 119.070 0.127 0.000 2.467 653 H HA 0.338 4.909 4.556 0.025 0.000 0.326 653 H C -1.603 173.809 175.328 0.140 0.000 1.094 653 H CA -0.611 55.467 56.048 0.050 0.000 1.253 653 H CB 0.909 30.665 29.762 -0.011 0.000 1.439 653 H HN 0.739 nan 8.280 nan 0.000 0.479 654 W N 5.081 126.063 121.300 -0.530 0.000 2.864 654 W HA 0.538 5.213 4.660 0.025 0.000 0.343 654 W C -1.925 174.360 176.519 -0.389 0.000 1.109 654 W CA -1.320 55.849 57.345 -0.294 0.000 1.192 654 W CB 1.390 30.778 29.460 -0.121 0.000 1.426 654 W HN 0.514 nan 8.180 nan 0.000 0.529 655 M N 3.129 122.821 119.600 0.154 0.000 2.322 655 M HA 0.553 5.048 4.480 0.025 0.000 0.285 655 M C -2.604 173.864 176.300 0.280 0.000 1.119 655 M CA -0.660 54.670 55.300 0.050 0.000 0.953 655 M CB 1.789 34.388 32.600 -0.002 0.000 1.701 655 M HN 0.201 nan 8.290 nan 0.000 0.479 656 V N 4.153 124.237 119.914 0.284 0.000 2.417 656 V HA 1.012 5.146 4.120 0.025 0.000 0.291 656 V C -0.360 175.840 176.094 0.177 0.000 1.024 656 V CA -0.121 62.338 62.300 0.266 0.000 0.861 656 V CB 1.199 33.190 31.823 0.280 0.000 0.985 656 V HN 1.085 nan 8.190 nan 0.000 0.436 657 A N 4.717 127.651 122.820 0.190 0.000 2.475 657 A HA 0.875 5.210 4.320 0.025 0.000 0.301 657 A C -1.423 176.277 177.584 0.193 0.000 1.059 657 A CA -0.623 51.498 52.037 0.139 0.000 0.710 657 A CB 1.706 20.753 19.000 0.079 0.000 1.288 657 A HN 0.833 nan 8.150 nan 0.000 0.408 658 L N 1.627 122.935 121.223 0.141 0.000 2.262 658 L HA 0.531 4.886 4.340 0.025 0.000 0.288 658 L C -0.553 176.418 176.870 0.169 0.000 1.035 658 L CA 0.295 55.233 54.840 0.163 0.000 0.820 658 L CB 0.241 42.362 42.059 0.103 0.000 1.204 658 L HN 0.759 nan 8.230 nan 0.000 0.424 659 D N 4.691 125.261 120.400 0.284 0.000 2.686 659 D HA -0.208 4.447 4.640 0.025 0.000 0.235 659 D C 1.159 177.499 176.300 0.067 0.000 1.160 659 D CA 1.466 55.617 54.000 0.252 0.000 0.645 659 D CB -1.128 39.783 40.800 0.185 0.000 1.039 659 D HN 1.189 nan 8.370 nan 0.000 0.423 660 G N -0.795 108.005 108.800 -0.000 0.000 2.253 660 G HA2 -0.373 3.602 3.960 0.025 0.000 0.251 660 G HA3 -0.373 3.602 3.960 0.025 0.000 0.251 660 G C 0.307 175.130 174.900 -0.128 0.000 0.998 660 G CA 0.534 45.523 45.100 -0.184 0.000 0.621 660 G HN 0.484 nan 8.290 nan 0.000 0.524 661 K N 2.120 122.495 120.400 -0.041 0.000 2.262 661 K HA 0.470 4.805 4.320 0.025 0.000 0.282 661 K C -2.553 174.041 176.600 -0.010 0.000 1.066 661 K CA -1.896 54.370 56.287 -0.035 0.000 0.901 661 K CB 1.661 34.158 32.500 -0.005 0.000 1.089 661 K HN 0.085 nan 8.250 nan 0.000 0.476 662 P HA -0.009 nan 4.420 nan 0.000 0.268 662 P C -0.135 177.173 177.300 0.013 0.000 1.204 662 P CA 0.163 63.258 63.100 -0.009 0.000 0.768 662 P CB 0.641 32.319 31.700 -0.036 0.000 0.842 663 L N 1.149 122.397 121.223 0.041 0.000 2.624 663 L HA 0.548 4.903 4.340 0.025 0.000 0.222 663 L C 0.882 177.787 176.870 0.058 0.000 1.046 663 L CA 0.214 55.085 54.840 0.052 0.000 0.872 663 L CB 0.072 42.177 42.059 0.076 0.000 1.190 663 L HN 0.371 nan 8.230 nan 0.000 0.487 664 A N -0.066 122.797 122.820 0.072 0.000 2.597 664 A HA 0.712 5.047 4.320 0.025 0.000 0.292 664 A C -0.943 176.559 177.584 -0.137 0.000 1.057 664 A CA 0.062 52.134 52.037 0.059 0.000 0.674 664 A CB 1.530 20.671 19.000 0.236 0.000 1.278 664 A HN 0.083 nan 8.150 nan 0.000 0.416 665 S N -0.562 114.790 115.700 -0.580 0.000 2.611 665 S HA 0.957 5.442 4.470 0.025 0.000 0.268 665 S C -0.281 173.371 174.600 -1.580 0.000 1.156 665 S CA -0.031 57.366 58.200 -1.339 0.000 0.817 665 S CB 1.042 63.863 63.200 -0.630 0.000 1.122 665 S HN 2.642 nan 8.310 nan 0.000 0.466 666 G N -0.091 107.503 108.800 -2.011 0.000 2.495 666 G HA2 0.639 4.614 3.960 0.025 0.000 0.294 666 G HA3 0.639 4.614 3.960 0.025 0.000 0.294 666 G C -2.185 172.309 174.900 -0.676 0.000 1.397 666 G CA -0.504 44.021 45.100 -0.958 0.000 0.790 666 G HN 1.115 nan 8.290 nan 0.000 0.486 667 E N -1.182 118.953 120.200 -0.107 0.000 2.314 667 E HA 0.686 5.051 4.350 0.025 0.000 0.272 667 E C -1.839 174.853 176.600 0.154 0.000 0.884 667 E CA -0.950 55.491 56.400 0.069 0.000 0.753 667 E CB 2.674 32.443 29.700 0.114 0.000 1.213 667 E HN 0.453 nan 8.360 nan 0.000 0.432 668 V N 2.369 122.390 119.914 0.178 0.000 2.733 668 V HA 0.405 4.540 4.120 0.025 0.000 0.306 668 V C -2.465 173.700 176.094 0.119 0.000 1.084 668 V CA -1.894 60.499 62.300 0.155 0.000 0.905 668 V CB 2.131 34.064 31.823 0.183 0.000 1.010 668 V HN 0.687 nan 8.190 nan 0.000 0.424 669 P HA 0.274 nan 4.420 nan 0.000 0.271 669 P C -0.883 176.464 177.300 0.078 0.000 1.216 669 P CA -0.070 63.077 63.100 0.078 0.000 0.776 669 P CB 0.782 32.522 31.700 0.067 0.000 0.881 670 L N 2.916 124.179 121.223 0.067 0.000 2.295 670 L HA 0.357 4.712 4.340 0.025 0.000 0.285 670 L C 0.378 177.304 176.870 0.093 0.000 1.035 670 L CA -0.060 54.817 54.840 0.062 0.000 0.806 670 L CB 1.124 43.178 42.059 -0.008 0.000 1.214 670 L HN 0.335 nan 8.230 nan 0.000 0.426 671 D N 3.380 123.849 120.400 0.115 0.000 2.468 671 D HA 0.301 4.956 4.640 0.025 0.000 0.272 671 D C -1.227 175.185 176.300 0.187 0.000 1.221 671 D CA -0.168 53.923 54.000 0.151 0.000 0.860 671 D CB 0.952 41.824 40.800 0.121 0.000 1.190 671 D HN 0.032 nan 8.370 nan 0.000 0.509 672 V N 1.448 121.488 119.914 0.210 0.000 2.459 672 V HA 0.844 4.978 4.120 0.025 0.000 0.295 672 V C 0.951 177.078 176.094 0.055 0.000 1.029 672 V CA -1.107 61.297 62.300 0.173 0.000 0.874 672 V CB 1.216 33.183 31.823 0.239 0.000 0.985 672 V HN 0.531 nan 8.190 nan 0.000 0.438 673 A N 6.733 129.482 122.820 -0.118 0.000 2.296 673 A HA 0.703 5.037 4.320 0.025 0.000 0.264 673 A C -2.319 175.053 177.584 -0.355 0.000 1.097 673 A CA -1.501 50.090 52.037 -0.745 0.000 0.811 673 A CB -0.161 18.633 19.000 -0.344 0.000 1.072 673 A HN 0.682 nan 8.150 nan 0.000 0.495 674 P HA 0.060 nan 4.420 nan 0.000 0.263 674 P C -0.598 176.631 177.300 -0.119 0.000 1.195 674 P CA 0.554 63.564 63.100 -0.150 0.000 0.762 674 P CB 0.745 32.364 31.700 -0.135 0.000 0.799 675 Q N -0.793 118.952 119.800 -0.093 0.000 2.362 675 Q HA -0.156 4.199 4.340 0.025 0.000 0.220 675 Q C 0.758 176.729 176.000 -0.048 0.000 0.713 675 Q CA 1.778 57.533 55.803 -0.080 0.000 1.345 675 Q CB -2.545 26.145 28.738 -0.080 0.000 1.570 675 Q HN 0.756 nan 8.270 nan 0.000 0.701 676 G N 0.067 108.844 108.800 -0.037 0.000 2.543 676 G HA2 0.539 4.514 3.960 0.025 0.000 0.290 676 G HA3 0.539 4.514 3.960 0.025 0.000 0.290 676 G C -0.132 174.783 174.900 0.025 0.000 1.310 676 G CA -0.509 44.587 45.100 -0.005 0.000 1.025 676 G HN -0.042 nan 8.290 nan 0.000 0.502 677 K N -0.490 119.934 120.400 0.039 0.000 2.385 677 K HA 0.408 4.743 4.320 0.025 0.000 0.248 677 K C -1.066 175.574 176.600 0.068 0.000 0.955 677 K CA -0.602 55.717 56.287 0.053 0.000 0.816 677 K CB 2.660 35.183 32.500 0.037 0.000 1.250 677 K HN 0.594 nan 8.250 nan 0.000 0.434 678 Q N 2.697 122.545 119.800 0.080 0.000 2.323 678 Q HA 0.414 4.769 4.340 0.025 0.000 0.271 678 Q C -1.543 174.496 176.000 0.066 0.000 1.048 678 Q CA -0.658 55.191 55.803 0.077 0.000 0.792 678 Q CB 1.466 30.261 28.738 0.094 0.000 1.280 678 Q HN 0.524 nan 8.270 nan 0.000 0.441 679 L N 4.873 126.123 121.223 0.045 0.000 2.295 679 L HA 0.563 4.918 4.340 0.025 0.000 0.285 679 L C -0.481 176.398 176.870 0.015 0.000 1.035 679 L CA -0.671 54.183 54.840 0.024 0.000 0.806 679 L CB 1.289 43.352 42.059 0.007 0.000 1.214 679 L HN 0.601 nan 8.230 nan 0.000 0.426 680 I N 2.509 123.077 120.570 -0.004 0.000 2.410 680 I HA 0.238 4.423 4.170 0.025 0.000 0.286 680 I C -0.410 175.651 176.117 -0.093 0.000 1.009 680 I CA -0.548 60.736 61.300 -0.027 0.000 1.111 680 I CB 2.106 40.102 38.000 -0.006 0.000 1.262 680 I HN 0.495 nan 8.210 nan 0.000 0.443 681 E N 6.268 126.412 120.200 -0.092 0.000 2.167 681 E HA 0.438 4.803 4.350 0.025 0.000 0.284 681 E C -0.749 175.727 176.600 -0.206 0.000 1.016 681 E CA -0.267 56.052 56.400 -0.135 0.000 0.817 681 E CB 0.967 30.612 29.700 -0.092 0.000 1.080 681 E HN 0.399 nan 8.360 nan 0.000 0.397 682 L N 5.720 126.757 121.223 -0.309 0.000 2.436 682 L HA 0.366 4.721 4.340 0.025 0.000 0.265 682 L C -1.773 174.919 176.870 -0.296 0.000 1.168 682 L CA -1.887 52.668 54.840 -0.475 0.000 0.815 682 L CB 0.473 42.149 42.059 -0.639 0.000 1.109 682 L HN 0.431 nan 8.230 nan 0.000 0.462 683 P HA 0.040 nan 4.420 nan 0.000 0.274 683 P C -0.683 176.555 177.300 -0.104 0.000 1.237 683 P CA -0.516 62.520 63.100 -0.107 0.000 0.793 683 P CB 0.465 32.161 31.700 -0.006 0.000 0.977 684 E N 1.613 121.777 120.200 -0.059 0.000 2.502 684 E HA -0.031 4.334 4.350 0.025 0.000 0.261 684 E C -1.049 175.534 176.600 -0.028 0.000 0.974 684 E CA 0.235 56.605 56.400 -0.048 0.000 0.936 684 E CB 0.174 29.856 29.700 -0.029 0.000 0.926 684 E HN 0.373 nan 8.360 nan 0.000 0.459 685 L N 7.432 128.635 121.223 -0.033 0.000 2.276 685 L HA 0.309 4.664 4.340 0.025 0.000 0.286 685 L C -1.944 174.930 176.870 0.006 0.000 1.024 685 L CA -2.053 52.785 54.840 -0.003 0.000 0.826 685 L CB 1.553 43.612 42.059 -0.000 0.000 1.211 685 L HN 0.516 nan 8.230 nan 0.000 0.422 686 P HA -0.068 nan 4.420 nan 0.000 0.264 686 P C -0.841 176.471 177.300 0.019 0.000 1.179 686 P CA -0.142 62.969 63.100 0.019 0.000 0.763 686 P CB 0.468 32.184 31.700 0.027 0.000 0.806 687 Q N 3.320 123.128 119.800 0.013 0.000 2.332 687 Q HA 0.228 4.583 4.340 0.025 0.000 0.263 687 Q C -1.839 174.173 176.000 0.020 0.000 0.979 687 Q CA -1.057 54.754 55.803 0.013 0.000 0.885 687 Q CB -0.159 28.583 28.738 0.008 0.000 1.218 687 Q HN 0.370 nan 8.270 nan 0.000 0.405 688 P HA 0.085 nan 4.420 nan 0.000 0.275 688 P C -1.053 176.262 177.300 0.024 0.000 1.228 688 P CA -0.159 62.958 63.100 0.029 0.000 0.786 688 P CB 0.863 32.584 31.700 0.035 0.000 0.927 689 E N 1.656 121.871 120.200 0.025 0.000 2.282 689 E HA 0.369 4.734 4.350 0.025 0.000 0.247 689 E C -0.560 176.055 176.600 0.025 0.000 1.113 689 E CA -0.171 56.243 56.400 0.022 0.000 1.095 689 E CB 0.032 29.744 29.700 0.019 0.000 1.328 689 E HN 0.539 nan 8.360 nan 0.000 0.463 690 S N -0.938 114.779 115.700 0.028 0.000 2.769 690 S HA 0.337 4.821 4.470 0.025 0.000 0.283 690 S C -0.396 174.226 174.600 0.037 0.000 0.936 690 S CA -0.918 57.302 58.200 0.033 0.000 0.893 690 S CB 0.368 63.589 63.200 0.036 0.000 1.125 690 S HN 0.383 nan 8.310 nan 0.000 0.464 691 A N 0.634 123.478 122.820 0.040 0.000 2.386 691 A HA 0.907 5.242 4.320 0.025 0.000 0.246 691 A C 1.049 178.667 177.584 0.057 0.000 1.089 691 A CA 0.496 52.559 52.037 0.043 0.000 0.790 691 A CB -0.345 18.683 19.000 0.046 0.000 1.042 691 A HN 2.656 nan 8.150 nan 0.000 0.497 692 G N -0.903 107.933 108.800 0.060 0.000 2.351 692 G HA2 0.461 4.436 3.960 0.025 0.000 0.353 692 G HA3 0.461 4.436 3.960 0.025 0.000 0.353 692 G C -1.177 173.767 174.900 0.072 0.000 1.358 692 G CA -0.142 45.010 45.100 0.087 0.000 0.995 692 G HN 1.218 nan 8.290 nan 0.000 0.611 693 Q N -0.238 119.628 119.800 0.109 0.000 2.307 693 Q HA 0.734 5.089 4.340 0.025 0.000 0.262 693 Q C -0.431 175.634 176.000 0.108 0.000 0.961 693 Q CA -0.615 55.209 55.803 0.036 0.000 0.882 693 Q CB 1.328 30.066 28.738 0.000 0.000 1.264 693 Q HN 0.598 nan 8.270 nan 0.000 0.446 694 L N 4.195 125.421 121.223 0.006 0.000 2.326 694 L HA 0.466 4.821 4.340 0.025 0.000 0.278 694 L C -0.776 176.092 176.870 -0.003 0.000 1.092 694 L CA -0.338 54.550 54.840 0.080 0.000 0.810 694 L CB 0.681 42.761 42.059 0.035 0.000 1.153 694 L HN 0.679 nan 8.230 nan 0.000 0.439 695 W N 4.142 125.501 121.300 0.098 0.000 2.785 695 W HA 0.511 5.186 4.660 0.025 0.000 0.333 695 W C -0.840 175.780 176.519 0.168 0.000 1.062 695 W CA -0.526 56.899 57.345 0.134 0.000 1.233 695 W CB 1.709 31.273 29.460 0.174 0.000 1.413 695 W HN 0.114 nan 8.180 nan 0.000 0.489 696 L N 3.420 124.910 121.223 0.445 0.000 2.296 696 L HA 0.734 5.089 4.340 0.025 0.000 0.286 696 L C -0.303 176.866 176.870 0.498 0.000 1.023 696 L CA 0.115 55.201 54.840 0.411 0.000 0.812 696 L CB 1.221 43.487 42.059 0.344 0.000 1.223 696 L HN 0.319 nan 8.230 nan 0.000 0.421 697 T N 5.068 119.859 114.554 0.395 0.000 2.807 697 T HA 0.672 5.037 4.350 0.025 0.000 0.279 697 T C -0.611 174.277 174.700 0.313 0.000 0.993 697 T CA -0.447 61.852 62.100 0.330 0.000 0.970 697 T CB 1.532 70.540 68.868 0.234 0.000 0.950 697 T HN 0.608 nan 8.240 nan 0.000 0.441 698 V N 1.438 121.515 119.914 0.273 0.000 2.769 698 V HA 0.840 4.975 4.120 0.025 0.000 0.312 698 V C -0.813 175.384 176.094 0.171 0.000 1.061 698 V CA -1.157 61.264 62.300 0.202 0.000 0.931 698 V CB 1.915 33.803 31.823 0.108 0.000 1.010 698 V HN 0.843 nan 8.190 nan 0.000 0.433 699 R N 2.258 122.890 120.500 0.221 0.000 2.725 699 R HA 0.758 5.112 4.340 0.025 0.000 0.277 699 R C -1.748 174.707 176.300 0.258 0.000 0.987 699 R CA -0.839 55.425 56.100 0.273 0.000 0.901 699 R CB 2.706 33.147 30.300 0.234 0.000 1.207 699 R HN 0.649 nan 8.270 nan 0.000 0.463 700 V N 3.070 123.162 119.914 0.295 0.000 2.370 700 V HA 0.341 4.476 4.120 0.025 0.000 0.279 700 V C -0.169 176.046 176.094 0.200 0.000 1.029 700 V CA -0.619 61.813 62.300 0.219 0.000 0.870 700 V CB 1.608 33.541 31.823 0.183 0.000 0.984 700 V HN 0.432 nan 8.190 nan 0.000 0.451 701 V N 5.146 125.146 119.914 0.143 0.000 2.555 701 V HA 0.416 4.551 4.120 0.025 0.000 0.302 701 V C -0.237 175.927 176.094 0.118 0.000 1.038 701 V CA -0.726 61.641 62.300 0.112 0.000 0.887 701 V CB 2.017 33.877 31.823 0.063 0.000 0.991 701 V HN 0.887 nan 8.190 nan 0.000 0.434 702 Q N 5.476 125.357 119.800 0.135 0.000 2.368 702 Q HA 0.290 4.645 4.340 0.025 0.000 0.256 702 Q C -1.806 174.228 176.000 0.056 0.000 0.980 702 Q CA -1.767 54.105 55.803 0.116 0.000 0.887 702 Q CB 1.984 30.808 28.738 0.143 0.000 1.221 702 Q HN 0.469 nan 8.270 nan 0.000 0.458 703 P HA -0.125 nan 4.420 nan 0.000 0.221 703 P C -0.553 176.746 177.300 -0.002 0.000 1.150 703 P CA 0.996 64.106 63.100 0.017 0.000 0.800 703 P CB 0.435 32.146 31.700 0.018 0.000 0.787 704 N N -0.678 118.015 118.700 -0.012 0.000 2.417 704 N HA 0.468 5.223 4.740 0.025 0.000 0.300 704 N C -0.369 175.092 175.510 -0.081 0.000 1.102 704 N CA -0.738 52.290 53.050 -0.036 0.000 0.886 704 N CB 1.207 39.676 38.487 -0.030 0.000 1.203 704 N HN -0.101 nan 8.380 nan 0.000 0.496 705 A N 0.701 123.466 122.820 -0.092 0.000 2.448 705 A HA 0.424 4.759 4.320 0.025 0.000 0.239 705 A C 0.551 178.013 177.584 -0.203 0.000 1.080 705 A CA 0.120 52.067 52.037 -0.150 0.000 0.779 705 A CB -0.047 18.889 19.000 -0.108 0.000 1.026 705 A HN 0.706 nan 8.150 nan 0.000 0.499 706 T N -3.184 111.166 114.554 -0.339 0.000 2.742 706 T HA 0.628 4.993 4.350 0.025 0.000 0.282 706 T C 0.947 175.489 174.700 -0.264 0.000 1.025 706 T CA 0.043 61.935 62.100 -0.347 0.000 1.020 706 T CB 1.059 69.518 68.868 -0.683 0.000 1.317 706 T HN 1.411 nan 8.240 nan 0.000 0.538 707 A N -0.101 122.655 122.820 -0.106 0.000 2.121 707 A HA 0.101 4.436 4.320 0.025 0.000 0.218 707 A C 1.546 179.250 177.584 0.199 0.000 1.154 707 A CA 1.121 53.196 52.037 0.064 0.000 0.679 707 A CB -0.900 18.178 19.000 0.130 0.000 0.795 707 A HN 0.908 nan 8.150 nan 0.000 0.458 708 W N -0.955 120.408 121.300 0.106 0.000 2.518 708 W HA 0.434 5.110 4.660 0.026 0.000 0.352 708 W C -0.249 176.245 176.519 -0.042 0.000 0.952 708 W CA 0.450 57.835 57.345 0.067 0.000 1.624 708 W CB -1.088 28.402 29.460 0.051 0.000 1.135 708 W HN 0.415 nan 8.180 nan 0.000 0.540 709 S N -0.157 115.111 115.700 -0.721 0.000 2.565 709 S HA 0.476 4.961 4.470 0.025 0.000 0.269 709 S C -1.145 173.221 174.600 -0.389 0.000 1.153 709 S CA -0.731 57.079 58.200 -0.651 0.000 0.835 709 S CB 2.741 65.152 63.200 -1.315 0.000 1.122 709 S HN 0.084 nan 8.310 nan 0.000 0.462 710 E N 0.480 120.566 120.200 -0.191 0.000 2.280 710 E HA 0.643 5.008 4.350 0.025 0.000 0.264 710 E C 0.167 176.726 176.600 -0.069 0.000 1.064 710 E CA -0.872 55.471 56.400 -0.095 0.000 0.900 710 E CB 1.255 30.943 29.700 -0.020 0.000 1.123 710 E HN 0.885 nan 8.360 nan 0.000 0.418 711 A N 0.708 123.497 122.820 -0.051 0.000 2.498 711 A HA 0.402 4.737 4.320 0.025 0.000 0.239 711 A C 1.122 178.707 177.584 0.002 0.000 1.068 711 A CA 0.775 52.795 52.037 -0.029 0.000 0.766 711 A CB -0.493 18.491 19.000 -0.027 0.000 1.003 711 A HN 0.811 nan 8.150 nan 0.000 0.497 712 G N 0.483 109.294 108.800 0.018 0.000 2.195 712 G HA2 -0.243 3.732 3.960 0.025 0.000 0.246 712 G HA3 -0.243 3.732 3.960 0.025 0.000 0.246 712 G C 0.279 175.208 174.900 0.049 0.000 0.984 712 G CA 0.629 45.740 45.100 0.018 0.000 0.633 712 G HN 1.725 nan 8.290 nan 0.000 0.525 713 H N 0.982 120.050 119.070 -0.004 0.000 3.094 713 H HA 0.396 4.967 4.556 0.025 0.000 0.320 713 H C 0.773 176.170 175.328 0.115 0.000 1.000 713 H CA 0.501 56.575 56.048 0.044 0.000 1.413 713 H CB 0.121 29.883 29.762 0.001 0.000 1.405 713 H HN 0.322 nan 8.280 nan 0.000 0.586 714 I N 4.794 125.114 120.570 -0.417 0.000 2.325 714 I HA 0.035 4.220 4.170 0.025 0.000 0.291 714 I C 0.880 176.889 176.117 -0.180 0.000 1.019 714 I CA 0.052 61.251 61.300 -0.169 0.000 1.302 714 I CB 1.430 39.385 38.000 -0.075 0.000 1.401 714 I HN 0.773 nan 8.210 nan 0.000 0.485 715 S N 4.183 120.005 115.700 0.204 0.000 2.512 715 S HA 0.559 5.044 4.470 0.025 0.000 0.216 715 S C 0.394 175.301 174.600 0.511 0.000 1.006 715 S CA -0.080 58.383 58.200 0.439 0.000 0.915 715 S CB 0.611 64.181 63.200 0.617 0.000 0.824 715 S HN 0.708 nan 8.310 nan 0.000 0.497 716 A N 0.536 123.695 122.820 0.564 0.000 2.605 716 A HA 0.675 5.010 4.320 0.025 0.000 0.294 716 A C -1.768 176.221 177.584 0.675 0.000 1.062 716 A CA -0.891 51.461 52.037 0.526 0.000 0.682 716 A CB 0.415 19.776 19.000 0.603 0.000 1.278 716 A HN 0.945 nan 8.150 nan 0.000 0.410 717 W N -0.155 121.356 121.300 0.351 0.000 3.005 717 W HA 0.807 5.482 4.660 0.026 0.000 0.343 717 W C -1.218 175.368 176.519 0.112 0.000 1.243 717 W CA -0.620 56.812 57.345 0.145 0.000 1.186 717 W CB 1.182 30.695 29.460 0.090 0.000 1.453 717 W HN 0.986 nan 8.180 nan 0.000 0.575 718 Q N 0.998 120.832 119.800 0.055 0.000 2.527 718 Q HA 0.433 4.788 4.340 0.025 0.000 0.280 718 Q C -1.530 174.319 176.000 -0.252 0.000 0.977 718 Q CA -0.468 55.210 55.803 -0.209 0.000 0.837 718 Q CB 2.413 30.830 28.738 -0.535 0.000 1.454 718 Q HN 0.615 nan 8.270 nan 0.000 0.387 719 Q N 1.255 120.850 119.800 -0.341 0.000 2.451 719 Q HA 0.649 5.004 4.340 0.025 0.000 0.281 719 Q C -1.084 174.755 176.000 -0.269 0.000 1.099 719 Q CA -0.743 55.044 55.803 -0.028 0.000 0.806 719 Q CB 2.568 31.493 28.738 0.310 0.000 1.419 719 Q HN 0.586 nan 8.270 nan 0.000 0.427 720 W N 0.701 122.151 121.300 0.250 0.000 3.127 720 W HA 0.440 5.114 4.660 0.024 0.000 0.330 720 W C -0.407 176.014 176.519 -0.163 0.000 1.187 720 W CA -0.666 56.716 57.345 0.062 0.000 1.198 720 W CB 1.783 31.249 29.460 0.009 0.000 1.408 720 W HN 0.417 nan 8.180 nan 0.000 0.529 721 R N 1.717 122.057 120.500 -0.267 0.000 2.390 721 R HA 0.485 4.840 4.340 0.025 0.000 0.291 721 R C 0.440 176.588 176.300 -0.253 0.000 1.070 721 R CA -0.128 55.566 56.100 -0.677 0.000 1.014 721 R CB 1.131 30.989 30.300 -0.737 0.000 1.007 721 R HN 0.313 nan 8.270 nan 0.000 0.466 722 L N 1.207 122.290 121.223 -0.232 0.000 2.783 722 L HA 0.540 4.895 4.340 0.025 0.000 0.205 722 L C 0.566 177.354 176.870 -0.135 0.000 1.985 722 L CA -1.066 53.700 54.840 -0.123 0.000 2.546 722 L CB -0.141 41.880 42.059 -0.064 0.000 2.829 722 L HN 0.586 nan 8.230 nan 0.000 0.614 723 A N 0.306 123.074 122.820 -0.087 0.000 2.466 723 A HA 0.205 4.540 4.320 0.025 0.000 0.238 723 A C -0.296 177.241 177.584 -0.077 0.000 1.074 723 A CA 0.255 52.248 52.037 -0.072 0.000 0.774 723 A CB 0.130 19.105 19.000 -0.042 0.000 1.015 723 A HN 0.617 nan 8.150 nan 0.000 0.498 724 E N 0.804 120.965 120.200 -0.065 0.000 2.248 724 E HA 0.323 4.688 4.350 0.025 0.000 0.267 724 E C -1.411 175.177 176.600 -0.019 0.000 0.877 724 E CA -0.721 55.650 56.400 -0.049 0.000 0.759 724 E CB 0.964 30.626 29.700 -0.064 0.000 1.182 724 E HN 0.724 nan 8.360 nan 0.000 0.418 725 N N 5.156 123.856 118.700 0.000 0.000 2.564 725 N HA 0.259 5.014 4.740 0.025 0.000 0.248 725 N C -0.572 174.949 175.510 0.019 0.000 0.986 725 N CA -0.346 52.709 53.050 0.009 0.000 0.921 725 N CB 1.205 39.702 38.487 0.015 0.000 1.136 725 N HN 0.424 nan 8.380 nan 0.000 0.509 726 L N 0.778 122.010 121.223 0.016 0.000 2.426 726 L HA 0.124 4.479 4.340 0.025 0.000 0.271 726 L C 1.324 178.211 176.870 0.029 0.000 1.169 726 L CA 0.006 54.861 54.840 0.025 0.000 0.836 726 L CB 0.558 42.631 42.059 0.023 0.000 1.112 726 L HN 0.370 nan 8.230 nan 0.000 0.465 727 S N 1.348 117.071 115.700 0.038 0.000 2.510 727 S HA 0.222 4.707 4.470 0.025 0.000 0.279 727 S C 0.576 175.195 174.600 0.033 0.000 1.284 727 S CA -0.763 57.459 58.200 0.037 0.000 1.059 727 S CB 0.681 63.908 63.200 0.045 0.000 0.901 727 S HN 0.470 nan 8.310 nan 0.000 0.491 728 V N 2.282 122.213 119.914 0.028 0.000 3.380 728 V HA 0.336 4.471 4.120 0.025 0.000 0.307 728 V C 0.546 176.655 176.094 0.024 0.000 1.434 728 V CA -0.014 62.300 62.300 0.024 0.000 1.075 728 V CB -0.540 31.295 31.823 0.020 0.000 0.954 728 V HN 0.837 nan 8.190 nan 0.000 0.444 729 T N 1.538 116.108 114.554 0.026 0.000 2.727 729 T HA 0.648 5.013 4.350 0.025 0.000 0.295 729 T C -0.153 174.563 174.700 0.025 0.000 0.915 729 T CA -0.482 61.633 62.100 0.025 0.000 1.066 729 T CB 0.590 69.474 68.868 0.026 0.000 0.891 729 T HN 0.268 nan 8.240 nan 0.000 0.516 730 L N 5.452 126.688 121.223 0.022 0.000 2.584 730 L HA 0.194 4.549 4.340 0.025 0.000 0.272 730 L C -0.774 176.109 176.870 0.021 0.000 1.195 730 L CA -1.060 53.792 54.840 0.021 0.000 0.920 730 L CB -1.134 40.936 42.059 0.018 0.000 1.173 730 L HN 0.413 nan 8.230 nan 0.000 0.489 731 P HA -0.162 nan 4.420 nan 0.000 0.207 731 P C -0.236 177.072 177.300 0.014 0.000 0.954 731 P CA 1.623 64.733 63.100 0.017 0.000 0.990 731 P CB 0.074 31.782 31.700 0.013 0.000 0.721 732 A N -2.769 120.056 122.820 0.008 0.000 1.518 732 A HA 0.519 4.854 4.320 0.025 0.000 0.231 732 A C -0.561 177.018 177.584 -0.007 0.000 0.946 732 A CA -0.366 51.677 52.037 0.010 0.000 0.693 732 A CB -0.629 18.378 19.000 0.012 0.000 0.601 732 A HN 0.411 nan 8.150 nan 0.000 0.324 733 A N 2.630 125.460 122.820 0.016 0.000 2.548 733 A HA 0.524 4.859 4.320 0.025 0.000 0.247 733 A C 1.071 178.663 177.584 0.012 0.000 1.067 733 A CA 0.741 52.789 52.037 0.019 0.000 0.757 733 A CB -0.414 18.607 19.000 0.034 0.000 0.996 733 A HN 2.212 nan 8.150 nan 0.000 0.504 734 S N 2.362 118.049 115.700 -0.021 0.000 2.549 734 S HA 0.068 4.553 4.470 0.025 0.000 0.286 734 S C 0.640 175.283 174.600 0.072 0.000 1.314 734 S CA 0.300 58.464 58.200 -0.059 0.000 1.062 734 S CB -0.095 63.078 63.200 -0.044 0.000 0.865 734 S HN 0.742 nan 8.310 nan 0.000 0.498 735 H N 1.677 120.762 119.070 0.026 0.000 2.495 735 H HA 0.295 4.866 4.556 0.025 0.000 0.287 735 H C 0.952 176.295 175.328 0.026 0.000 1.033 735 H CA 0.473 56.535 56.048 0.024 0.000 1.307 735 H CB 0.155 29.931 29.762 0.024 0.000 1.401 735 H HN 0.813 nan 8.280 nan 0.000 0.555 736 A N 0.673 123.565 122.820 0.120 0.000 2.593 736 A HA 0.595 4.930 4.320 0.025 0.000 0.290 736 A C -1.307 176.314 177.584 0.061 0.000 1.126 736 A CA -0.704 51.385 52.037 0.086 0.000 0.695 736 A CB 1.541 20.596 19.000 0.090 0.000 1.290 736 A HN 0.087 nan 8.150 nan 0.000 0.414 737 I N 1.725 122.330 120.570 0.059 0.000 2.406 737 I HA 0.372 4.557 4.170 0.025 0.000 0.290 737 I C -2.268 173.888 176.117 0.064 0.000 0.999 737 I CA -2.047 59.280 61.300 0.045 0.000 1.124 737 I CB 2.132 40.155 38.000 0.038 0.000 1.289 737 I HN 0.406 nan 8.210 nan 0.000 0.441 738 P HA 0.083 nan 4.420 nan 0.000 0.272 738 P C -0.909 176.448 177.300 0.096 0.000 1.223 738 P CA 0.057 63.206 63.100 0.081 0.000 0.784 738 P CB 0.455 32.160 31.700 0.008 0.000 0.923 739 H N 2.016 121.117 119.070 0.051 0.000 2.457 739 H HA 0.401 4.972 4.556 0.025 0.000 0.335 739 H C -1.209 174.150 175.328 0.051 0.000 1.115 739 H CA -0.865 55.207 56.048 0.040 0.000 1.219 739 H CB 1.301 31.090 29.762 0.046 0.000 1.471 739 H HN 0.202 nan 8.280 nan 0.000 0.491 740 L N 4.522 125.388 121.223 -0.594 0.000 2.282 740 L HA 0.303 4.658 4.340 0.025 0.000 0.288 740 L C -0.674 175.940 176.870 -0.426 0.000 1.033 740 L CA -0.072 54.560 54.840 -0.346 0.000 0.807 740 L CB 1.439 43.339 42.059 -0.266 0.000 1.209 740 L HN 0.559 nan 8.230 nan 0.000 0.423 741 T N 3.748 118.299 114.554 -0.005 0.000 2.772 741 T HA 0.435 4.800 4.350 0.025 0.000 0.288 741 T C -0.188 174.614 174.700 0.170 0.000 0.994 741 T CA -0.281 61.905 62.100 0.143 0.000 0.951 741 T CB 0.777 69.779 68.868 0.223 0.000 0.933 741 T HN 0.689 nan 8.240 nan 0.000 0.447 742 T N 3.345 117.996 114.554 0.161 0.000 2.829 742 T HA 0.667 5.032 4.350 0.025 0.000 0.282 742 T C 0.143 174.904 174.700 0.101 0.000 0.990 742 T CA -0.667 61.566 62.100 0.221 0.000 1.028 742 T CB 1.067 70.087 68.868 0.253 0.000 0.951 742 T HN 0.704 nan 8.240 nan 0.000 0.460 743 S N 1.900 117.613 115.700 0.022 0.000 2.697 743 S HA 0.512 4.997 4.470 0.025 0.000 0.289 743 S C 0.668 175.220 174.600 -0.081 0.000 1.149 743 S CA -0.879 57.312 58.200 -0.014 0.000 0.850 743 S CB 1.510 64.708 63.200 -0.004 0.000 1.151 743 S HN 0.422 nan 8.310 nan 0.000 0.491 744 E N 0.121 120.285 120.200 -0.060 0.000 2.110 744 E HA -0.082 4.283 4.350 0.025 0.000 0.193 744 E C 1.491 178.014 176.600 -0.127 0.000 0.988 744 E CA 1.226 57.577 56.400 -0.082 0.000 0.804 744 E CB -0.392 29.281 29.700 -0.045 0.000 0.745 744 E HN 0.674 nan 8.360 nan 0.000 0.458 745 M N 0.293 119.833 119.600 -0.100 0.000 2.435 745 M HA 0.040 4.535 4.480 0.025 0.000 0.265 745 M C -0.363 175.853 176.300 -0.139 0.000 1.104 745 M CA 0.861 56.104 55.300 -0.095 0.000 1.140 745 M CB 0.618 33.195 32.600 -0.038 0.000 1.372 745 M HN -0.222 nan 8.290 nan 0.000 0.456 746 D N -1.569 118.729 120.400 -0.170 0.000 2.583 746 D HA 0.272 4.927 4.640 0.025 0.000 0.248 746 D C -1.522 174.658 176.300 -0.200 0.000 1.209 746 D CA -0.325 53.592 54.000 -0.139 0.000 0.848 746 D CB 1.525 42.344 40.800 0.032 0.000 1.431 746 D HN -0.127 nan 8.370 nan 0.000 0.436 747 F N 1.020 121.053 119.950 0.139 0.000 2.402 747 F HA 0.351 4.893 4.527 0.025 0.000 0.355 747 F C 0.141 176.081 175.800 0.234 0.000 1.123 747 F CA -0.762 57.314 58.000 0.127 0.000 1.021 747 F CB 1.095 40.128 39.000 0.055 0.000 1.160 747 F HN 0.110 nan 8.300 nan 0.000 0.451 748 C N 4.550 124.070 119.300 0.367 0.000 2.411 748 C HA 0.795 5.270 4.460 0.025 0.000 0.330 748 C C -0.106 175.072 174.990 0.313 0.000 1.224 748 C CA -0.867 58.353 59.018 0.337 0.000 1.770 748 C CB 1.052 28.926 27.740 0.224 0.000 2.297 748 C HN 0.594 nan 8.230 nan 0.000 0.507 749 I N 2.388 123.195 120.570 0.395 0.000 2.545 749 I HA 0.468 4.652 4.170 0.025 0.000 0.292 749 I C -0.508 175.889 176.117 0.467 0.000 1.040 749 I CA -0.092 61.418 61.300 0.351 0.000 1.068 749 I CB 1.722 39.882 38.000 0.266 0.000 1.251 749 I HN 0.614 nan 8.210 nan 0.000 0.424 750 E N 5.753 126.172 120.200 0.365 0.000 2.266 750 E HA 0.772 5.137 4.350 0.025 0.000 0.268 750 E C -1.452 175.344 176.600 0.327 0.000 0.879 750 E CA -0.679 55.917 56.400 0.326 0.000 0.762 750 E CB 2.630 32.439 29.700 0.181 0.000 1.199 750 E HN 0.341 nan 8.360 nan 0.000 0.422 751 L N 2.336 123.767 121.223 0.347 0.000 2.555 751 L HA 0.619 4.974 4.340 0.025 0.000 0.264 751 L C 0.303 177.277 176.870 0.174 0.000 0.972 751 L CA 0.598 55.604 54.840 0.277 0.000 0.876 751 L CB 1.063 43.332 42.059 0.350 0.000 1.216 751 L HN 0.672 nan 8.230 nan 0.000 0.415 752 G N 4.438 113.301 108.800 0.104 0.000 2.574 752 G HA2 -0.399 3.576 3.960 0.025 0.000 0.286 752 G HA3 -0.399 3.576 3.960 0.025 0.000 0.286 752 G C 0.421 175.336 174.900 0.024 0.000 1.212 752 G CA 0.507 45.643 45.100 0.060 0.000 0.979 752 G HN 1.304 nan 8.290 nan 0.000 0.557 753 N N 1.302 120.003 118.700 0.001 0.000 2.322 753 N HA 0.176 4.931 4.740 0.025 0.000 0.216 753 N C 0.277 175.744 175.510 -0.071 0.000 1.144 753 N CA 0.661 53.691 53.050 -0.033 0.000 0.830 753 N CB 0.203 38.668 38.487 -0.036 0.000 1.034 753 N HN 0.722 nan 8.380 nan 0.000 0.484 754 K N 0.113 120.461 120.400 -0.086 0.000 2.208 754 K HA 0.552 4.887 4.320 0.025 0.000 0.247 754 K C -0.398 176.038 176.600 -0.273 0.000 0.953 754 K CA -0.585 55.536 56.287 -0.277 0.000 0.837 754 K CB 2.004 34.215 32.500 -0.481 0.000 1.131 754 K HN 0.025 nan 8.250 nan 0.000 0.431 755 R N 0.874 121.137 120.500 -0.394 0.000 2.698 755 R HA 0.438 4.793 4.340 0.025 0.000 0.275 755 R C -1.230 174.989 176.300 -0.135 0.000 1.001 755 R CA -0.887 55.161 56.100 -0.087 0.000 0.896 755 R CB 1.772 32.056 30.300 -0.026 0.000 1.218 755 R HN 0.519 nan 8.270 nan 0.000 0.462 756 W N 1.893 123.307 121.300 0.192 0.000 2.819 756 W HA 0.373 5.047 4.660 0.025 0.000 0.337 756 W C -0.538 176.074 176.519 0.154 0.000 1.077 756 W CA -0.577 56.821 57.345 0.089 0.000 1.226 756 W CB 2.394 31.891 29.460 0.062 0.000 1.419 756 W HN 0.357 nan 8.180 nan 0.000 0.502 757 Q N 2.595 122.518 119.800 0.206 0.000 2.310 757 Q HA 0.385 4.740 4.340 0.025 0.000 0.270 757 Q C -1.915 174.035 176.000 -0.083 0.000 1.025 757 Q CA -0.518 55.406 55.803 0.202 0.000 0.772 757 Q CB 1.434 30.354 28.738 0.303 0.000 1.253 757 Q HN 0.367 nan 8.270 nan 0.000 0.450 758 F N 3.046 123.085 119.950 0.149 0.000 2.361 758 F HA 0.299 4.841 4.527 0.025 0.000 0.364 758 F C 0.703 176.541 175.800 0.065 0.000 1.117 758 F CA -0.812 57.244 58.000 0.093 0.000 1.071 758 F CB 1.029 40.089 39.000 0.098 0.000 1.188 758 F HN 0.467 nan 8.300 nan 0.000 0.464 759 N N 3.612 122.411 118.700 0.164 0.000 2.475 759 N HA 0.056 4.811 4.740 0.025 0.000 0.267 759 N C 0.960 176.495 175.510 0.041 0.000 1.169 759 N CA 0.046 53.147 53.050 0.086 0.000 0.947 759 N CB 0.756 39.296 38.487 0.089 0.000 1.061 759 N HN 0.685 nan 8.380 nan 0.000 0.466 760 R N 2.454 122.906 120.500 -0.080 0.000 2.235 760 R HA -0.034 4.320 4.340 0.025 0.000 0.213 760 R C 1.464 177.716 176.300 -0.080 0.000 1.059 760 R CA 0.960 56.969 56.100 -0.152 0.000 0.997 760 R CB 0.257 30.337 30.300 -0.367 0.000 0.884 760 R HN 0.676 nan 8.270 nan 0.000 0.462 761 Q N -0.273 119.503 119.800 -0.041 0.000 2.297 761 Q HA -0.014 4.341 4.340 0.025 0.000 0.203 761 Q C 2.050 178.049 176.000 -0.002 0.000 0.931 761 Q CA 1.422 57.211 55.803 -0.023 0.000 0.885 761 Q CB 0.465 29.200 28.738 -0.005 0.000 0.991 761 Q HN 0.320 nan 8.270 nan 0.000 0.498 762 S N -1.248 114.474 115.700 0.036 0.000 2.439 762 S HA 0.128 4.613 4.470 0.025 0.000 0.224 762 S C 1.555 176.115 174.600 -0.067 0.000 1.029 762 S CA 0.654 58.899 58.200 0.076 0.000 0.946 762 S CB 0.381 63.727 63.200 0.243 0.000 0.797 762 S HN 0.449 nan 8.310 nan 0.000 0.504 763 G N 0.485 109.258 108.800 -0.046 0.000 2.136 763 G HA2 -0.191 3.784 3.960 0.025 0.000 0.242 763 G HA3 -0.191 3.784 3.960 0.025 0.000 0.242 763 G C -0.194 174.641 174.900 -0.108 0.000 0.989 763 G CA 0.310 45.362 45.100 -0.080 0.000 0.682 763 G HN 0.476 nan 8.290 nan 0.000 0.522 764 F N -1.238 118.891 119.950 0.299 0.000 2.579 764 F HA 0.703 5.245 4.527 0.025 0.000 0.324 764 F C 0.387 176.214 175.800 0.045 0.000 1.058 764 F CA -1.764 56.367 58.000 0.218 0.000 0.944 764 F CB 1.326 40.403 39.000 0.128 0.000 1.245 764 F HN 0.014 nan 8.300 nan 0.000 0.477 765 L N 1.989 123.260 121.223 0.080 0.000 2.565 765 L HA 0.180 4.535 4.340 0.025 0.000 0.275 765 L C 1.014 177.778 176.870 -0.177 0.000 1.137 765 L CA 0.510 55.071 54.840 -0.464 0.000 0.915 765 L CB -0.026 41.734 42.059 -0.499 0.000 1.232 765 L HN 0.701 nan 8.230 nan 0.000 0.473 766 S N 2.486 118.087 115.700 -0.166 0.000 2.503 766 S HA 0.232 4.717 4.470 0.025 0.000 0.217 766 S C 0.603 175.078 174.600 -0.209 0.000 0.999 766 S CA -0.101 58.040 58.200 -0.097 0.000 0.914 766 S CB 0.094 63.291 63.200 -0.005 0.000 0.782 766 S HN 0.671 nan 8.310 nan 0.000 0.520 767 Q N 0.033 119.642 119.800 -0.319 0.000 2.426 767 Q HA 0.616 4.971 4.340 0.025 0.000 0.278 767 Q C -1.860 173.759 176.000 -0.635 0.000 1.007 767 Q CA -0.390 55.065 55.803 -0.581 0.000 0.850 767 Q CB 1.804 30.046 28.738 -0.827 0.000 1.427 767 Q HN 0.307 nan 8.270 nan 0.000 0.391 768 M N 2.705 121.831 119.600 -0.790 0.000 2.378 768 M HA 0.515 5.010 4.480 0.025 0.000 0.289 768 M C -2.002 173.945 176.300 -0.589 0.000 1.136 768 M CA -0.088 54.852 55.300 -0.600 0.000 0.917 768 M CB 1.619 33.835 32.600 -0.641 0.000 1.669 768 M HN 0.779 nan 8.290 nan 0.000 0.461 769 W N 5.203 126.265 121.300 -0.398 0.000 2.736 769 W HA 0.545 5.220 4.660 0.025 0.000 0.335 769 W C -0.912 175.415 176.519 -0.319 0.000 1.059 769 W CA -0.725 56.453 57.345 -0.278 0.000 1.226 769 W CB 1.727 31.065 29.460 -0.202 0.000 1.416 769 W HN 0.507 nan 8.180 nan 0.000 0.505 770 I N 3.205 123.772 120.570 -0.005 0.000 2.330 770 I HA 0.331 4.515 4.170 0.025 0.000 0.286 770 I C 0.927 177.039 176.117 -0.009 0.000 1.025 770 I CA 0.408 61.670 61.300 -0.064 0.000 1.197 770 I CB 0.658 38.602 38.000 -0.094 0.000 1.358 770 I HN 0.754 nan 8.210 nan 0.000 0.467 771 G N 6.218 115.005 108.800 -0.022 0.000 2.556 771 G HA2 -0.343 3.632 3.960 0.025 0.000 0.283 771 G HA3 -0.343 3.632 3.960 0.025 0.000 0.283 771 G C 0.351 175.260 174.900 0.014 0.000 1.177 771 G CA 0.534 45.624 45.100 -0.018 0.000 0.978 771 G HN 0.790 nan 8.290 nan 0.000 0.554 772 D N 0.724 121.143 120.400 0.031 0.000 2.388 772 D HA 0.252 4.907 4.640 0.025 0.000 0.221 772 D C 0.365 176.795 176.300 0.217 0.000 1.133 772 D CA 0.164 54.211 54.000 0.078 0.000 0.831 772 D CB 0.264 41.078 40.800 0.022 0.000 0.962 772 D HN 0.276 nan 8.370 nan 0.000 0.502 773 K N 1.266 121.767 120.400 0.169 0.000 2.253 773 K HA 0.279 4.614 4.320 0.025 0.000 0.277 773 K C 0.204 176.809 176.600 0.008 0.000 1.053 773 K CA -0.440 55.900 56.287 0.088 0.000 0.892 773 K CB 1.664 34.170 32.500 0.009 0.000 1.102 773 K HN 0.078 nan 8.250 nan 0.000 0.469 774 K N 2.265 122.589 120.400 -0.127 0.000 2.401 774 K HA 0.021 4.356 4.320 0.025 0.000 0.278 774 K C 1.019 177.446 176.600 -0.288 0.000 1.018 774 K CA 0.001 56.005 56.287 -0.471 0.000 0.981 774 K CB 0.674 32.939 32.500 -0.391 0.000 0.933 774 K HN 0.325 nan 8.250 nan 0.000 0.477 775 Q N 1.621 121.226 119.800 -0.326 0.000 2.317 775 Q HA 0.189 4.544 4.340 0.025 0.000 0.220 775 Q C 0.099 176.026 176.000 -0.120 0.000 0.873 775 Q CA 0.386 56.117 55.803 -0.121 0.000 0.936 775 Q CB 0.549 29.269 28.738 -0.030 0.000 1.105 775 Q HN 0.507 nan 8.270 nan 0.000 0.520 776 L N 0.457 121.537 121.223 -0.240 0.000 2.342 776 L HA 0.393 4.747 4.340 0.025 0.000 0.271 776 L C 0.915 177.653 176.870 -0.219 0.000 1.008 776 L CA -0.396 54.323 54.840 -0.202 0.000 0.818 776 L CB 1.739 43.666 42.059 -0.219 0.000 1.296 776 L HN -0.065 nan 8.230 nan 0.000 0.427 777 L N 0.299 121.387 121.223 -0.226 0.000 2.470 777 L HA 0.229 4.584 4.340 0.025 0.000 0.219 777 L C 0.165 176.918 176.870 -0.195 0.000 1.071 777 L CA 0.677 55.390 54.840 -0.212 0.000 0.850 777 L CB 0.715 42.628 42.059 -0.243 0.000 1.040 777 L HN 0.611 nan 8.230 nan 0.000 0.475 778 T N -0.124 114.293 114.554 -0.229 0.000 2.909 778 T HA 0.410 4.775 4.350 0.025 0.000 0.299 778 T C -2.567 172.061 174.700 -0.120 0.000 1.073 778 T CA -1.131 60.883 62.100 -0.144 0.000 0.999 778 T CB 2.519 71.288 68.868 -0.164 0.000 1.098 778 T HN -0.267 nan 8.240 nan 0.000 0.477 779 P HA 0.196 nan 4.420 nan 0.000 0.271 779 P C -0.698 176.552 177.300 -0.082 0.000 1.233 779 P CA -0.718 62.341 63.100 -0.069 0.000 0.789 779 P CB 0.410 32.099 31.700 -0.019 0.000 0.951 780 L N 3.039 124.249 121.223 -0.021 0.000 2.325 780 L HA 0.250 4.605 4.340 0.025 0.000 0.284 780 L C 0.121 176.910 176.870 -0.134 0.000 1.089 780 L CA 0.638 55.498 54.840 0.033 0.000 0.836 780 L CB -0.653 41.546 42.059 0.234 0.000 1.184 780 L HN 0.280 nan 8.230 nan 0.000 0.444 781 R N 2.846 123.180 120.500 -0.278 0.000 2.795 781 R HA 0.453 4.808 4.340 0.025 0.000 0.275 781 R C -0.964 175.189 176.300 -0.245 0.000 0.981 781 R CA -1.049 54.693 56.100 -0.596 0.000 0.917 781 R CB 1.336 31.180 30.300 -0.760 0.000 1.202 781 R HN 0.547 nan 8.270 nan 0.000 0.469 782 D N 1.177 121.510 120.400 -0.112 0.000 2.368 782 D HA 0.048 4.703 4.640 0.025 0.000 0.240 782 D C -0.408 175.565 176.300 -0.546 0.000 1.169 782 D CA 0.387 54.208 54.000 -0.298 0.000 0.906 782 D CB 0.645 41.247 40.800 -0.329 0.000 1.187 782 D HN 0.220 nan 8.370 nan 0.000 0.435 783 Q N 0.874 120.140 119.800 -0.891 0.000 2.271 783 Q HA 0.304 4.659 4.340 0.025 0.000 0.268 783 Q C -1.364 173.951 176.000 -1.141 0.000 1.021 783 Q CA -0.555 54.772 55.803 -0.794 0.000 0.802 783 Q CB 0.725 29.191 28.738 -0.454 0.000 1.282 783 Q HN 0.475 nan 8.270 nan 0.000 0.431 784 F N 0.826 120.396 119.950 -0.634 0.000 2.688 784 F HA 0.209 4.751 4.527 0.025 0.000 0.310 784 F C 0.469 175.815 175.800 -0.756 0.000 1.098 784 F CA 0.009 57.505 58.000 -0.841 0.000 1.228 784 F CB 1.426 39.583 39.000 -1.404 0.000 1.042 784 F HN 0.426 nan 8.300 nan 0.000 0.557 785 T N -1.045 113.189 114.554 -0.534 0.000 2.916 785 T HA 0.768 5.132 4.350 0.025 0.000 0.292 785 T C -0.512 173.919 174.700 -0.449 0.000 1.064 785 T CA -1.022 60.693 62.100 -0.642 0.000 1.011 785 T CB 2.858 71.278 68.868 -0.746 0.000 1.152 785 T HN 0.234 nan 8.240 nan 0.000 0.510 786 R N 0.174 120.438 120.500 -0.393 0.000 2.854 786 R HA 0.794 5.149 4.340 0.025 0.000 0.271 786 R C -0.647 175.690 176.300 0.062 0.000 0.994 786 R CA -1.221 54.791 56.100 -0.147 0.000 0.945 786 R CB 1.549 31.775 30.300 -0.123 0.000 1.194 786 R HN 0.808 nan 8.270 nan 0.000 0.476 787 A N 3.337 126.187 122.820 0.050 0.000 2.491 787 A HA 0.291 4.626 4.320 0.025 0.000 0.261 787 A C -2.018 175.626 177.584 0.099 0.000 1.101 787 A CA -1.357 50.715 52.037 0.059 0.000 0.772 787 A CB -0.403 18.577 19.000 -0.033 0.000 1.043 787 A HN 0.559 nan 8.150 nan 0.000 0.501 788 P HA 0.147 nan 4.420 nan 0.000 0.268 788 P C -0.188 177.216 177.300 0.174 0.000 1.204 788 P CA 0.271 63.522 63.100 0.251 0.000 0.768 788 P CB 0.477 32.357 31.700 0.299 0.000 0.842 789 L N 2.472 123.763 121.223 0.113 0.000 2.475 789 L HA 0.136 4.491 4.340 0.025 0.000 0.253 789 L C 1.868 178.746 176.870 0.013 0.000 1.198 789 L CA -0.402 54.440 54.840 0.004 0.000 0.814 789 L CB -0.043 41.950 42.059 -0.111 0.000 1.134 789 L HN 0.310 nan 8.230 nan 0.000 0.478 790 D N 0.331 120.673 120.400 -0.096 0.000 2.149 790 D HA -0.164 4.491 4.640 0.025 0.000 0.198 790 D C 1.596 177.803 176.300 -0.155 0.000 0.990 790 D CA 1.416 55.277 54.000 -0.233 0.000 0.839 790 D CB 0.031 40.611 40.800 -0.367 0.000 0.948 790 D HN 0.467 nan 8.370 nan 0.000 0.460 791 N N 0.931 119.558 118.700 -0.122 0.000 2.331 791 N HA -0.098 4.657 4.740 0.025 0.000 0.180 791 N C 1.138 176.647 175.510 -0.001 0.000 1.019 791 N CA 0.643 53.649 53.050 -0.073 0.000 0.881 791 N CB -0.107 38.328 38.487 -0.086 0.000 0.972 791 N HN 0.242 nan 8.380 nan 0.000 0.435 792 D N 0.371 120.788 120.400 0.028 0.000 2.234 792 D HA 0.050 4.705 4.640 0.025 0.000 0.205 792 D C 1.972 178.310 176.300 0.063 0.000 0.962 792 D CA 0.366 54.420 54.000 0.090 0.000 0.855 792 D CB 0.202 41.132 40.800 0.217 0.000 0.951 792 D HN 0.316 nan 8.370 nan 0.000 0.500 793 I N 0.246 120.839 120.570 0.038 0.000 2.400 793 I HA 0.045 4.230 4.170 0.025 0.000 0.248 793 I C 1.809 177.938 176.117 0.021 0.000 1.109 793 I CA 0.654 61.964 61.300 0.018 0.000 1.425 793 I CB -0.344 37.636 38.000 -0.033 0.000 1.094 793 I HN 0.057 nan 8.210 nan 0.000 0.425 794 G N 1.329 110.151 108.800 0.038 0.000 2.574 794 G HA2 -0.342 3.633 3.960 0.025 0.000 0.286 794 G HA3 -0.342 3.633 3.960 0.025 0.000 0.286 794 G C 0.670 175.725 174.900 0.258 0.000 1.212 794 G CA 0.753 45.937 45.100 0.140 0.000 0.979 794 G HN 0.508 nan 8.290 nan 0.000 0.557 795 V N -1.796 118.214 119.914 0.160 0.000 3.633 795 V HA 0.582 4.717 4.120 0.025 0.000 0.283 795 V C 1.346 177.461 176.094 0.034 0.000 1.305 795 V CA 1.294 63.644 62.300 0.083 0.000 1.153 795 V CB -0.002 31.773 31.823 -0.081 0.000 0.950 795 V HN 1.245 nan 8.190 nan 0.000 0.432 796 S N 1.010 116.727 115.700 0.029 0.000 2.560 796 S HA 0.310 4.795 4.470 0.025 0.000 0.284 796 S C -0.146 174.460 174.600 0.011 0.000 1.327 796 S CA 0.121 58.322 58.200 0.003 0.000 1.055 796 S CB 0.506 63.704 63.200 -0.004 0.000 0.868 796 S HN 0.838 nan 8.310 nan 0.000 0.506 797 E N 1.274 121.476 120.200 0.003 0.000 2.408 797 E HA 0.611 4.976 4.350 0.025 0.000 0.275 797 E C 0.427 177.033 176.600 0.011 0.000 0.935 797 E CA -0.361 56.046 56.400 0.011 0.000 0.775 797 E CB 1.401 31.106 29.700 0.008 0.000 1.277 797 E HN 0.590 nan 8.360 nan 0.000 0.455 798 A N 1.097 123.929 122.820 0.020 0.000 1.940 798 A HA -0.194 4.141 4.320 0.025 0.000 0.219 798 A C 2.014 179.606 177.584 0.012 0.000 1.176 798 A CA 2.484 54.532 52.037 0.018 0.000 0.631 798 A CB -0.987 18.028 19.000 0.026 0.000 0.814 798 A HN 0.667 nan 8.150 nan 0.000 0.446 799 T N -2.793 111.769 114.554 0.012 0.000 3.035 799 T HA -0.030 4.335 4.350 0.025 0.000 0.268 799 T C 0.878 175.575 174.700 -0.005 0.000 1.109 799 T CA 1.176 63.279 62.100 0.006 0.000 1.119 799 T CB -0.180 68.694 68.868 0.009 0.000 0.900 799 T HN 0.411 nan 8.240 nan 0.000 0.503 800 R N 1.019 121.514 120.500 -0.009 0.000 3.189 800 R HA 0.205 4.560 4.340 0.025 0.000 0.222 800 R C -1.223 175.064 176.300 -0.022 0.000 1.735 800 R CA -0.611 55.477 56.100 -0.020 0.000 1.129 800 R CB 0.059 30.340 30.300 -0.031 0.000 1.549 800 R HN 0.208 nan 8.270 nan 0.000 0.525 801 I N 2.029 122.588 120.570 -0.018 0.000 2.775 801 I HA -0.059 4.126 4.170 0.025 0.000 0.290 801 I C 0.638 176.735 176.117 -0.034 0.000 1.203 801 I CA 0.611 61.899 61.300 -0.020 0.000 1.433 801 I CB 0.313 38.303 38.000 -0.016 0.000 1.354 801 I HN 0.458 nan 8.210 nan 0.000 0.579 802 D N 8.979 129.355 120.400 -0.040 0.000 2.454 802 D HA 0.286 4.941 4.640 0.025 0.000 0.225 802 D C -1.723 174.533 176.300 -0.074 0.000 1.081 802 D CA -2.190 51.777 54.000 -0.055 0.000 0.864 802 D CB 1.569 42.338 40.800 -0.051 0.000 1.040 802 D HN 0.181 nan 8.370 nan 0.000 0.517 803 P HA -0.100 nan 4.420 nan 0.000 0.225 803 P C 0.907 178.117 177.300 -0.149 0.000 1.148 803 P CA 0.683 63.725 63.100 -0.096 0.000 0.779 803 P CB 0.215 31.867 31.700 -0.079 0.000 0.780 804 N N -0.376 118.227 118.700 -0.161 0.000 2.424 804 N HA 0.020 4.775 4.740 0.025 0.000 0.178 804 N C 0.410 175.730 175.510 -0.316 0.000 1.060 804 N CA -0.154 52.755 53.050 -0.236 0.000 0.901 804 N CB 0.030 38.406 38.487 -0.185 0.000 0.979 804 N HN -0.031 nan 8.380 nan 0.000 0.451 805 A N 0.353 123.035 122.820 -0.229 0.000 2.483 805 A HA 0.002 4.337 4.320 0.025 0.000 0.238 805 A C 0.541 177.923 177.584 -0.338 0.000 1.070 805 A CA -0.340 51.562 52.037 -0.225 0.000 0.770 805 A CB -0.143 18.796 19.000 -0.101 0.000 1.008 805 A HN 0.472 nan 8.150 nan 0.000 0.497 806 W N 1.573 122.620 121.300 -0.421 0.000 2.321 806 W HA -0.179 4.496 4.660 0.025 0.000 0.306 806 W C 2.206 178.168 176.519 -0.928 0.000 1.217 806 W CA 1.667 58.497 57.345 -0.859 0.000 1.257 806 W CB -0.336 28.475 29.460 -1.081 0.000 1.145 806 W HN 0.560 nan 8.180 nan 0.000 0.509 807 V N 0.875 120.677 119.914 -0.186 0.000 2.407 807 V HA -0.258 3.876 4.120 0.025 0.000 0.248 807 V C 2.100 178.276 176.094 0.136 0.000 1.055 807 V CA 2.100 64.500 62.300 0.167 0.000 1.049 807 V CB -0.313 31.634 31.823 0.208 0.000 0.662 807 V HN 0.089 nan 8.190 nan 0.000 0.455 808 E N -0.158 120.028 120.200 -0.023 0.000 2.152 808 E HA -0.146 4.219 4.350 0.025 0.000 0.192 808 E C 2.313 178.877 176.600 -0.060 0.000 0.983 808 E CA 0.810 57.198 56.400 -0.021 0.000 0.818 808 E CB -0.251 29.413 29.700 -0.060 0.000 0.758 808 E HN 0.609 nan 8.360 nan 0.000 0.467 809 R N -0.100 120.288 120.500 -0.187 0.000 2.081 809 R HA -0.109 4.246 4.340 0.025 0.000 0.235 809 R C 2.252 178.485 176.300 -0.113 0.000 1.131 809 R CA 1.386 57.350 56.100 -0.227 0.000 0.960 809 R CB -0.152 29.891 30.300 -0.428 0.000 0.856 809 R HN 0.232 nan 8.270 nan 0.000 0.436 810 W N 1.361 122.626 121.300 -0.058 0.000 2.381 810 W HA -0.032 4.643 4.660 0.025 0.000 0.301 810 W C 1.870 178.359 176.519 -0.051 0.000 1.205 810 W CA 0.624 57.823 57.345 -0.243 0.000 1.285 810 W CB -0.631 28.824 29.460 -0.008 0.000 1.133 810 W HN 0.109 nan 8.180 nan 0.000 0.521 811 K N 0.360 120.985 120.400 0.374 0.000 2.009 811 K HA -0.123 4.212 4.320 0.025 0.000 0.210 811 K C 2.282 178.949 176.600 0.111 0.000 1.049 811 K CA 1.969 58.429 56.287 0.289 0.000 0.929 811 K CB -0.698 31.917 32.500 0.191 0.000 0.714 811 K HN -0.026 nan 8.250 nan 0.000 0.440 812 A N 1.219 124.074 122.820 0.058 0.000 1.978 812 A HA -0.121 4.214 4.320 0.025 0.000 0.220 812 A C 2.225 179.813 177.584 0.007 0.000 1.170 812 A CA 1.874 53.928 52.037 0.027 0.000 0.636 812 A CB -0.588 18.415 19.000 0.005 0.000 0.810 812 A HN 0.367 nan 8.150 nan 0.000 0.448 813 A N -2.065 120.735 122.820 -0.033 0.000 2.169 813 A HA 0.402 4.737 4.320 0.025 0.000 0.212 813 A C 1.832 179.361 177.584 -0.092 0.000 1.153 813 A CA 1.252 53.280 52.037 -0.015 0.000 0.756 813 A CB -0.767 18.194 19.000 -0.066 0.000 0.813 813 A HN 1.889 nan 8.150 nan 0.000 0.471 814 G N -1.586 107.056 108.800 -0.262 0.000 2.132 814 G HA2 -0.288 3.686 3.960 0.025 0.000 0.234 814 G HA3 -0.288 3.686 3.960 0.025 0.000 0.234 814 G C 0.569 175.466 174.900 -0.005 0.000 0.989 814 G CA 0.613 45.337 45.100 -0.627 0.000 0.676 814 G HN 0.733 nan 8.290 nan 0.000 0.522 815 H N -1.488 117.570 119.070 -0.020 0.000 2.422 815 H HA -0.097 4.474 4.556 0.025 0.000 0.298 815 H C 2.104 177.406 175.328 -0.043 0.000 1.098 815 H CA 1.630 57.680 56.048 0.003 0.000 1.315 815 H CB 0.111 29.813 29.762 -0.099 0.000 1.382 815 H HN 0.612 nan 8.280 nan 0.000 0.523 816 Y N 0.007 120.432 120.300 0.208 0.000 2.523 816 Y HA -0.045 4.520 4.550 0.025 0.000 0.279 816 Y C 2.079 178.058 175.900 0.133 0.000 1.139 816 Y CA 0.249 58.431 58.100 0.137 0.000 1.296 816 Y CB 0.487 39.011 38.460 0.108 0.000 1.045 816 Y HN 0.128 nan 8.280 nan 0.000 0.538 817 Q N -0.170 119.787 119.800 0.261 0.000 2.378 817 Q HA 0.308 4.663 4.340 0.025 0.000 0.216 817 Q C 0.817 176.990 176.000 0.287 0.000 0.892 817 Q CA 0.213 56.162 55.803 0.243 0.000 0.931 817 Q CB 0.111 28.984 28.738 0.224 0.000 1.086 817 Q HN 0.273 nan 8.270 nan 0.000 0.528 818 A N 2.582 125.592 122.820 0.317 0.000 2.540 818 A HA 0.099 4.434 4.320 0.025 0.000 0.239 818 A C 0.060 177.937 177.584 0.489 0.000 1.061 818 A CA 0.266 52.556 52.037 0.421 0.000 0.758 818 A CB 0.075 19.351 19.000 0.460 0.000 0.991 818 A HN 0.151 nan 8.150 nan 0.000 0.502 819 E N 1.659 122.072 120.200 0.355 0.000 2.199 819 E HA 0.565 4.929 4.350 0.025 0.000 0.269 819 E C -0.441 176.102 176.600 -0.094 0.000 0.899 819 E CA -0.850 55.677 56.400 0.211 0.000 0.772 819 E CB 1.691 31.482 29.700 0.152 0.000 1.155 819 E HN 0.721 nan 8.360 nan 0.000 0.408 820 A N 2.215 124.837 122.820 -0.330 0.000 2.524 820 A HA 0.429 4.764 4.320 0.025 0.000 0.250 820 A C -0.020 177.406 177.584 -0.264 0.000 1.078 820 A CA 0.098 51.664 52.037 -0.785 0.000 0.761 820 A CB 0.054 18.813 19.000 -0.401 0.000 1.012 820 A HN 0.663 nan 8.150 nan 0.000 0.500 821 A N 2.837 125.507 122.820 -0.250 0.000 2.318 821 A HA 0.599 4.934 4.320 0.025 0.000 0.324 821 A C -0.407 177.114 177.584 -0.104 0.000 1.170 821 A CA -0.575 51.402 52.037 -0.100 0.000 0.810 821 A CB 0.619 19.576 19.000 -0.071 0.000 1.198 821 A HN 1.232 nan 8.150 nan 0.000 0.484 822 L N 2.722 123.874 121.223 -0.118 0.000 2.380 822 L HA 0.397 4.752 4.340 0.025 0.000 0.273 822 L C 0.418 177.164 176.870 -0.206 0.000 1.138 822 L CA 0.287 54.957 54.840 -0.284 0.000 0.832 822 L CB 0.550 42.462 42.059 -0.244 0.000 1.124 822 L HN 0.770 nan 8.230 nan 0.000 0.454 823 L N 2.735 123.816 121.223 -0.236 0.000 2.577 823 L HA 0.361 4.716 4.340 0.025 0.000 0.225 823 L C 0.381 177.185 176.870 -0.110 0.000 1.053 823 L CA 0.001 54.768 54.840 -0.122 0.000 0.866 823 L CB 0.069 42.087 42.059 -0.069 0.000 1.132 823 L HN 0.674 nan 8.230 nan 0.000 0.486 824 Q N -0.226 119.479 119.800 -0.159 0.000 2.426 824 Q HA 0.319 4.674 4.340 0.025 0.000 0.278 824 Q C -2.128 173.819 176.000 -0.089 0.000 1.007 824 Q CA -0.441 55.309 55.803 -0.089 0.000 0.850 824 Q CB 3.264 31.973 28.738 -0.048 0.000 1.427 824 Q HN 0.079 nan 8.270 nan 0.000 0.391 825 C N 3.143 122.439 119.300 -0.008 0.000 2.892 825 C HA 0.703 5.178 4.460 0.025 0.000 0.360 825 C C -0.673 174.432 174.990 0.191 0.000 1.054 825 C CA 0.325 59.387 59.018 0.074 0.000 1.326 825 C CB 0.291 28.081 27.740 0.083 0.000 1.806 825 C HN 0.816 nan 8.230 nan 0.000 0.490 826 T N 2.298 116.888 114.554 0.061 0.000 2.930 826 T HA 0.922 5.287 4.350 0.025 0.000 0.290 826 T C -0.407 174.045 174.700 -0.413 0.000 1.052 826 T CA -0.336 61.732 62.100 -0.054 0.000 1.017 826 T CB 1.986 70.814 68.868 -0.068 0.000 1.137 826 T HN 1.660 nan 8.240 nan 0.000 0.511 827 A N 1.130 123.517 122.820 -0.721 0.000 2.393 827 A HA 0.747 5.082 4.320 0.025 0.000 0.306 827 A C -1.258 176.048 177.584 -0.463 0.000 1.050 827 A CA -0.737 50.794 52.037 -0.843 0.000 0.724 827 A CB 1.323 19.408 19.000 -1.525 0.000 1.248 827 A HN 0.866 nan 8.150 nan 0.000 0.424 828 D N 0.949 121.146 120.400 -0.339 0.000 2.645 828 D HA 0.580 5.235 4.640 0.025 0.000 0.228 828 D C -0.684 175.500 176.300 -0.193 0.000 1.148 828 D CA 0.038 53.906 54.000 -0.219 0.000 0.860 828 D CB 2.398 43.102 40.800 -0.159 0.000 1.548 828 D HN 0.634 nan 8.370 nan 0.000 0.460 829 T N -0.583 113.883 114.554 -0.146 0.000 2.829 829 T HA 0.711 5.076 4.350 0.025 0.000 0.282 829 T C 0.287 174.933 174.700 -0.090 0.000 0.990 829 T CA -0.682 61.344 62.100 -0.124 0.000 1.028 829 T CB 1.010 69.813 68.868 -0.109 0.000 0.951 829 T HN 0.194 nan 8.240 nan 0.000 0.460 830 L N 1.720 122.895 121.223 -0.080 0.000 2.299 830 L HA 0.676 5.031 4.340 0.025 0.000 0.268 830 L C 2.071 178.915 176.870 -0.043 0.000 1.012 830 L CA -1.521 53.285 54.840 -0.057 0.000 0.816 830 L CB 0.571 42.597 42.059 -0.055 0.000 1.355 830 L HN 0.782 nan 8.230 nan 0.000 0.457 831 A N 0.586 123.388 122.820 -0.030 0.000 1.917 831 A HA -0.201 4.133 4.320 0.025 0.000 0.219 831 A C 1.123 178.697 177.584 -0.016 0.000 1.182 831 A CA 2.305 54.331 52.037 -0.019 0.000 0.633 831 A CB -0.566 18.427 19.000 -0.012 0.000 0.819 831 A HN 0.911 nan 8.150 nan 0.000 0.448 832 D N -2.731 117.657 120.400 -0.020 0.000 2.599 832 D HA 0.567 5.221 4.640 0.025 0.000 0.249 832 D C -0.018 176.263 176.300 -0.032 0.000 1.313 832 D CA 0.643 54.633 54.000 -0.017 0.000 0.815 832 D CB -0.250 40.543 40.800 -0.012 0.000 1.077 832 D HN 0.553 nan 8.370 nan 0.000 0.492 833 A N -0.685 122.105 122.820 -0.049 0.000 2.540 833 A HA 0.622 4.957 4.320 0.025 0.000 0.291 833 A C -1.797 175.727 177.584 -0.100 0.000 1.083 833 A CA -0.691 51.301 52.037 -0.075 0.000 0.650 833 A CB 1.401 20.356 19.000 -0.074 0.000 1.292 833 A HN 0.009 nan 8.150 nan 0.000 0.435 834 V N 0.456 120.287 119.914 -0.137 0.000 2.628 834 V HA 0.672 4.807 4.120 0.025 0.000 0.306 834 V C -1.054 174.927 176.094 -0.188 0.000 1.045 834 V CA -0.512 61.687 62.300 -0.169 0.000 0.905 834 V CB 1.561 33.274 31.823 -0.184 0.000 0.997 834 V HN 0.891 nan 8.190 nan 0.000 0.436 835 L N 5.886 126.988 121.223 -0.202 0.000 2.325 835 L HA 0.632 4.987 4.340 0.025 0.000 0.281 835 L C -0.843 175.868 176.870 -0.265 0.000 1.004 835 L CA -0.016 54.713 54.840 -0.186 0.000 0.823 835 L CB 1.293 43.270 42.059 -0.138 0.000 1.236 835 L HN 0.398 nan 8.230 nan 0.000 0.415 836 I N 4.174 124.573 120.570 -0.284 0.000 2.336 836 I HA 0.406 4.591 4.170 0.025 0.000 0.292 836 I C 0.041 176.094 176.117 -0.106 0.000 0.991 836 I CA -0.207 60.870 61.300 -0.372 0.000 1.227 836 I CB 1.470 38.970 38.000 -0.833 0.000 1.366 836 I HN 0.562 nan 8.210 nan 0.000 0.466 837 T N 5.064 119.566 114.554 -0.087 0.000 2.807 837 T HA 0.656 5.021 4.350 0.025 0.000 0.279 837 T C 0.170 174.901 174.700 0.050 0.000 0.993 837 T CA -0.522 61.580 62.100 0.005 0.000 0.970 837 T CB 1.741 70.589 68.868 -0.032 0.000 0.950 837 T HN 0.778 nan 8.240 nan 0.000 0.441 838 T N -0.565 114.058 114.554 0.115 0.000 2.896 838 T HA 0.870 5.235 4.350 0.025 0.000 0.297 838 T C -1.216 173.520 174.700 0.060 0.000 1.108 838 T CA -1.056 61.092 62.100 0.081 0.000 1.004 838 T CB 2.005 70.998 68.868 0.208 0.000 1.159 838 T HN 0.786 nan 8.240 nan 0.000 0.499 839 A N 1.389 124.158 122.820 -0.086 0.000 2.455 839 A HA 0.799 5.134 4.320 0.025 0.000 0.300 839 A C -1.470 175.982 177.584 -0.220 0.000 1.040 839 A CA -0.775 51.253 52.037 -0.015 0.000 0.697 839 A CB 0.997 20.002 19.000 0.008 0.000 1.265 839 A HN 1.014 nan 8.150 nan 0.000 0.407 840 H N -0.199 118.924 119.070 0.088 0.000 2.895 840 H HA 0.788 5.359 4.556 0.025 0.000 0.373 840 H C -0.113 175.246 175.328 0.051 0.000 1.174 840 H CA 0.286 56.309 56.048 -0.043 0.000 1.144 840 H CB 2.162 31.809 29.762 -0.192 0.000 1.793 840 H HN 1.023 nan 8.280 nan 0.000 0.551 841 A N 1.603 124.444 122.820 0.034 0.000 2.365 841 A HA 0.487 4.822 4.320 0.025 0.000 0.318 841 A C -1.435 176.157 177.584 0.013 0.000 1.091 841 A CA -0.695 51.434 52.037 0.153 0.000 0.763 841 A CB 1.282 20.334 19.000 0.086 0.000 1.248 841 A HN 0.573 nan 8.150 nan 0.000 0.442 842 W N 1.712 123.113 121.300 0.169 0.000 2.475 842 W HA 0.467 5.142 4.660 0.025 0.000 0.317 842 W C -0.484 176.052 176.519 0.030 0.000 1.046 842 W CA -0.135 57.306 57.345 0.160 0.000 1.215 842 W CB 1.855 31.466 29.460 0.251 0.000 1.335 842 W HN 0.785 nan 8.180 nan 0.000 0.471 843 Q N 1.697 121.642 119.800 0.242 0.000 2.484 843 Q HA 0.447 4.802 4.340 0.025 0.000 0.285 843 Q C -1.042 175.092 176.000 0.223 0.000 1.097 843 Q CA -0.898 54.998 55.803 0.156 0.000 0.802 843 Q CB 3.764 32.553 28.738 0.085 0.000 1.444 843 Q HN 0.395 nan 8.270 nan 0.000 0.429 844 H N 1.514 120.617 119.070 0.056 0.000 3.042 844 H HA 0.060 4.631 4.556 0.025 0.000 0.345 844 H C -0.770 174.588 175.328 0.050 0.000 1.052 844 H CA -0.139 55.950 56.048 0.069 0.000 1.311 844 H CB 1.184 30.999 29.762 0.088 0.000 1.810 844 H HN 0.706 nan 8.280 nan 0.000 0.505 845 Q N 2.900 122.398 119.800 -0.502 0.000 2.434 845 Q HA -0.196 4.159 4.340 0.025 0.000 0.299 845 Q C 0.963 176.897 176.000 -0.110 0.000 1.286 845 Q CA 1.359 56.981 55.803 -0.301 0.000 0.872 845 Q CB -1.812 26.768 28.738 -0.263 0.000 1.193 845 Q HN 1.156 nan 8.270 nan 0.000 0.466 846 G N -0.188 108.572 108.800 -0.066 0.000 2.155 846 G HA2 -0.374 3.601 3.960 0.025 0.000 0.257 846 G HA3 -0.374 3.601 3.960 0.025 0.000 0.257 846 G C 0.040 174.942 174.900 0.002 0.000 0.983 846 G CA 1.008 46.095 45.100 -0.020 0.000 0.676 846 G HN 0.524 nan 8.290 nan 0.000 0.528 847 K N 0.348 120.758 120.400 0.017 0.000 2.164 847 K HA 0.644 4.979 4.320 0.025 0.000 0.258 847 K C -0.223 176.390 176.600 0.022 0.000 0.951 847 K CA -0.450 55.851 56.287 0.024 0.000 0.844 847 K CB 1.201 33.722 32.500 0.035 0.000 1.099 847 K HN -0.031 nan 8.250 nan 0.000 0.435 848 T N 5.011 119.570 114.554 0.008 0.000 2.749 848 T HA 0.206 4.571 4.350 0.025 0.000 0.295 848 T C 1.098 175.742 174.700 -0.092 0.000 0.936 848 T CA -0.472 61.629 62.100 0.001 0.000 1.060 848 T CB 0.559 69.445 68.868 0.030 0.000 0.904 848 T HN 0.559 nan 8.240 nan 0.000 0.500 849 L N 2.229 123.306 121.223 -0.243 0.000 2.145 849 L HA 0.328 4.683 4.340 0.025 0.000 0.201 849 L C -0.209 176.155 176.870 -0.845 0.000 1.075 849 L CA 0.842 55.264 54.840 -0.697 0.000 0.773 849 L CB 0.069 41.319 42.059 -1.348 0.000 0.936 849 L HN 0.500 nan 8.230 nan 0.000 0.451 850 F N -0.981 118.916 119.950 -0.089 0.000 2.599 850 F HA 0.568 5.110 4.527 0.025 0.000 0.311 850 F C -0.437 175.455 175.800 0.153 0.000 1.076 850 F CA -0.949 56.923 58.000 -0.214 0.000 0.937 850 F CB 1.578 39.990 39.000 -0.980 0.000 1.282 850 F HN -0.302 nan 8.300 nan 0.000 0.460 851 I N 1.446 122.226 120.570 0.349 0.000 2.466 851 I HA 0.415 4.600 4.170 0.025 0.000 0.289 851 I C -0.737 175.638 176.117 0.431 0.000 1.026 851 I CA -0.553 60.984 61.300 0.396 0.000 1.078 851 I CB 2.168 40.314 38.000 0.243 0.000 1.249 851 I HN 0.574 nan 8.210 nan 0.000 0.429 852 S N 6.901 122.955 115.700 0.590 0.000 2.478 852 S HA 0.589 5.074 4.470 0.025 0.000 0.312 852 S C -0.680 174.153 174.600 0.388 0.000 1.094 852 S CA -0.672 57.839 58.200 0.518 0.000 1.081 852 S CB 0.778 64.414 63.200 0.726 0.000 1.007 852 S HN 0.557 nan 8.310 nan 0.000 0.475 853 R N 3.338 123.991 120.500 0.254 0.000 2.494 853 R HA 0.588 4.943 4.340 0.025 0.000 0.305 853 R C -0.761 175.606 176.300 0.112 0.000 0.959 853 R CA -0.797 55.408 56.100 0.176 0.000 0.864 853 R CB 1.870 32.245 30.300 0.126 0.000 1.159 853 R HN 0.580 nan 8.270 nan 0.000 0.446 854 K N 0.717 121.172 120.400 0.092 0.000 2.480 854 K HA 0.455 4.790 4.320 0.025 0.000 0.258 854 K C -0.847 175.722 176.600 -0.051 0.000 0.990 854 K CA -0.916 55.347 56.287 -0.039 0.000 0.857 854 K CB 2.566 35.002 32.500 -0.108 0.000 1.384 854 K HN 0.649 nan 8.250 nan 0.000 0.446 855 T N -1.527 112.927 114.554 -0.166 0.000 2.900 855 T HA 0.574 4.939 4.350 0.025 0.000 0.295 855 T C -1.242 173.317 174.700 -0.235 0.000 1.044 855 T CA -0.745 61.296 62.100 -0.098 0.000 0.995 855 T CB 0.586 69.425 68.868 -0.048 0.000 1.072 855 T HN 0.402 nan 8.240 nan 0.000 0.473 856 Y N 0.653 120.916 120.300 -0.061 0.000 2.331 856 Y HA 0.632 5.197 4.550 0.025 0.000 0.334 856 Y C 0.440 176.266 175.900 -0.123 0.000 0.960 856 Y CA -1.060 57.017 58.100 -0.038 0.000 1.130 856 Y CB 1.940 40.393 38.460 -0.012 0.000 1.164 856 Y HN 0.664 nan 8.280 nan 0.000 0.458 857 R N 4.581 125.098 120.500 0.028 0.000 2.409 857 R HA 0.633 4.988 4.340 0.025 0.000 0.313 857 R C -1.658 174.584 176.300 -0.097 0.000 0.953 857 R CA -0.387 55.683 56.100 -0.050 0.000 0.849 857 R CB 0.663 30.944 30.300 -0.033 0.000 1.171 857 R HN 0.783 nan 8.270 nan 0.000 0.458 858 I N 5.139 125.591 120.570 -0.196 0.000 2.339 858 I HA 0.213 4.398 4.170 0.025 0.000 0.290 858 I C -0.228 175.760 176.117 -0.215 0.000 0.994 858 I CA -0.754 60.354 61.300 -0.321 0.000 1.191 858 I CB 1.480 39.090 38.000 -0.650 0.000 1.343 858 I HN 0.694 nan 8.210 nan 0.000 0.458 859 D N 4.365 124.679 120.400 -0.144 0.000 2.592 859 D HA 0.248 4.903 4.640 0.025 0.000 0.259 859 D C 1.228 177.502 176.300 -0.044 0.000 1.144 859 D CA -0.713 53.240 54.000 -0.079 0.000 1.080 859 D CB 0.822 41.596 40.800 -0.044 0.000 1.225 859 D HN 0.479 nan 8.370 nan 0.000 0.619 860 G N -1.048 107.740 108.800 -0.021 0.000 2.479 860 G HA2 -0.216 3.759 3.960 0.025 0.000 0.220 860 G HA3 -0.216 3.759 3.960 0.025 0.000 0.220 860 G C 1.234 176.133 174.900 -0.001 0.000 1.115 860 G CA 1.235 46.336 45.100 0.001 0.000 0.757 860 G HN 0.569 nan 8.290 nan 0.000 0.560 861 S N -0.854 114.839 115.700 -0.012 0.000 2.562 861 S HA 0.352 4.837 4.470 0.025 0.000 0.221 861 S C 1.925 176.557 174.600 0.053 0.000 0.975 861 S CA 0.949 59.143 58.200 -0.009 0.000 0.918 861 S CB -0.052 63.140 63.200 -0.013 0.000 0.772 861 S HN 1.485 nan 8.310 nan 0.000 0.531 862 G N 0.181 109.032 108.800 0.085 0.000 2.176 862 G HA2 -0.281 3.694 3.960 0.025 0.000 0.253 862 G HA3 -0.281 3.694 3.960 0.025 0.000 0.253 862 G C -0.097 174.919 174.900 0.192 0.000 0.979 862 G CA 0.215 45.440 45.100 0.208 0.000 0.641 862 G HN 0.617 nan 8.290 nan 0.000 0.530 863 Q N -0.207 119.649 119.800 0.093 0.000 2.288 863 Q HA 0.661 5.016 4.340 0.025 0.000 0.254 863 Q C 0.421 176.447 176.000 0.044 0.000 0.932 863 Q CA -0.131 55.736 55.803 0.106 0.000 0.902 863 Q CB 0.857 29.644 28.738 0.082 0.000 1.203 863 Q HN 0.458 nan 8.270 nan 0.000 0.415 864 M N 2.650 122.317 119.600 0.113 0.000 2.072 864 M HA 0.548 5.043 4.480 0.025 0.000 0.331 864 M C -1.396 174.998 176.300 0.157 0.000 1.004 864 M CA -0.528 54.804 55.300 0.054 0.000 0.952 864 M CB 0.864 33.519 32.600 0.091 0.000 1.511 864 M HN 0.670 nan 8.290 nan 0.000 0.422 865 A N 6.897 129.775 122.820 0.097 0.000 2.289 865 A HA 0.686 5.021 4.320 0.025 0.000 0.298 865 A C -0.741 176.884 177.584 0.067 0.000 1.208 865 A CA -0.616 51.481 52.037 0.101 0.000 0.845 865 A CB 0.219 19.256 19.000 0.062 0.000 1.125 865 A HN 0.922 nan 8.150 nan 0.000 0.517 866 I N 2.465 123.065 120.570 0.051 0.000 2.362 866 I HA 0.317 4.502 4.170 0.025 0.000 0.289 866 I C -0.205 175.816 176.117 -0.160 0.000 0.994 866 I CA -0.227 61.010 61.300 -0.105 0.000 1.158 866 I CB 2.064 40.039 38.000 -0.043 0.000 1.315 866 I HN 0.506 nan 8.210 nan 0.000 0.451 867 T N 5.731 120.150 114.554 -0.226 0.000 2.797 867 T HA 0.542 4.907 4.350 0.025 0.000 0.279 867 T C -0.260 174.244 174.700 -0.326 0.000 0.991 867 T CA -0.478 61.486 62.100 -0.226 0.000 0.979 867 T CB 1.991 70.820 68.868 -0.066 0.000 0.943 867 T HN 0.209 nan 8.240 nan 0.000 0.444 868 V N 3.597 123.194 119.914 -0.528 0.000 2.487 868 V HA 0.476 4.611 4.120 0.025 0.000 0.298 868 V C -0.692 175.242 176.094 -0.266 0.000 1.028 868 V CA -0.887 61.124 62.300 -0.483 0.000 0.860 868 V CB 1.969 33.225 31.823 -0.945 0.000 0.991 868 V HN 0.854 nan 8.190 nan 0.000 0.427 869 D N 3.366 123.764 120.400 -0.004 0.000 2.549 869 D HA 0.530 5.185 4.640 0.025 0.000 0.251 869 D C -1.022 175.392 176.300 0.190 0.000 1.153 869 D CA -0.101 53.986 54.000 0.145 0.000 0.861 869 D CB 2.753 43.660 40.800 0.178 0.000 1.207 869 D HN 0.253 nan 8.370 nan 0.000 0.543 870 V N 2.390 122.453 119.914 0.248 0.000 2.628 870 V HA 0.306 4.441 4.120 0.025 0.000 0.306 870 V C 0.011 176.242 176.094 0.228 0.000 1.045 870 V CA -0.688 61.775 62.300 0.272 0.000 0.905 870 V CB 2.459 34.488 31.823 0.342 0.000 0.997 870 V HN 0.366 nan 8.190 nan 0.000 0.436 871 E N 2.484 122.804 120.200 0.200 0.000 2.183 871 E HA 0.640 5.005 4.350 0.025 0.000 0.271 871 E C -1.549 175.157 176.600 0.176 0.000 0.919 871 E CA -0.616 55.882 56.400 0.162 0.000 0.781 871 E CB 2.587 32.366 29.700 0.131 0.000 1.140 871 E HN 0.395 nan 8.360 nan 0.000 0.402 872 V N 2.099 122.121 119.914 0.180 0.000 2.444 872 V HA 0.381 4.516 4.120 0.025 0.000 0.294 872 V C 0.104 176.285 176.094 0.145 0.000 1.022 872 V CA -0.934 61.495 62.300 0.216 0.000 0.850 872 V CB 1.453 33.443 31.823 0.278 0.000 0.992 872 V HN 0.844 nan 8.190 nan 0.000 0.426 873 A N 3.499 126.361 122.820 0.070 0.000 2.540 873 A HA 0.288 4.623 4.320 0.025 0.000 0.239 873 A C 1.607 179.257 177.584 0.110 0.000 1.061 873 A CA 0.614 52.685 52.037 0.058 0.000 0.758 873 A CB 0.261 19.261 19.000 -0.001 0.000 0.991 873 A HN 1.362 nan 8.150 nan 0.000 0.502 874 S N 0.909 116.670 115.700 0.101 0.000 2.447 874 S HA -0.141 4.344 4.470 0.025 0.000 0.233 874 S C 0.865 175.546 174.600 0.135 0.000 1.006 874 S CA 1.254 59.536 58.200 0.136 0.000 0.957 874 S CB -0.263 62.996 63.200 0.100 0.000 0.773 874 S HN 0.820 nan 8.310 nan 0.000 0.507 875 D N 0.377 120.830 120.400 0.088 0.000 2.349 875 D HA 0.117 4.772 4.640 0.025 0.000 0.214 875 D C 0.516 176.854 176.300 0.062 0.000 1.063 875 D CA 0.041 54.078 54.000 0.061 0.000 0.847 875 D CB -0.394 40.428 40.800 0.037 0.000 0.933 875 D HN 0.311 nan 8.370 nan 0.000 0.513 876 T N 1.702 116.319 114.554 0.105 0.000 2.909 876 T HA 0.360 4.725 4.350 0.025 0.000 0.286 876 T C -2.568 172.246 174.700 0.191 0.000 1.002 876 T CA -1.876 60.313 62.100 0.149 0.000 1.074 876 T CB 1.230 70.198 68.868 0.166 0.000 0.984 876 T HN -0.140 nan 8.240 nan 0.000 0.495 877 P HA 0.060 nan 4.420 nan 0.000 0.265 877 P C -0.581 177.034 177.300 0.526 0.000 1.187 877 P CA 0.143 63.352 63.100 0.181 0.000 0.766 877 P CB -0.018 31.776 31.700 0.155 0.000 0.820 878 H N 3.560 123.003 119.070 0.621 0.000 2.964 878 H HA 0.086 4.656 4.556 0.025 0.000 0.328 878 H C -1.547 174.124 175.328 0.572 0.000 1.030 878 H CA -1.354 54.995 56.048 0.503 0.000 1.445 878 H CB -0.326 29.676 29.762 0.399 0.000 1.449 878 H HN 0.386 nan 8.280 nan 0.000 0.581 879 P HA 0.019 nan 4.420 nan 0.000 0.276 879 P C 0.113 177.298 177.300 -0.191 0.000 1.244 879 P CA -0.305 62.856 63.100 0.102 0.000 0.801 879 P CB 1.096 32.693 31.700 -0.172 0.000 1.006 880 A N 2.781 125.201 122.820 -0.665 0.000 1.969 880 A HA -0.095 4.240 4.320 0.025 0.000 0.218 880 A C 1.063 178.247 177.584 -0.668 0.000 1.169 880 A CA 1.335 52.949 52.037 -0.706 0.000 0.635 880 A CB -0.527 17.840 19.000 -1.054 0.000 0.810 880 A HN 0.747 nan 8.150 nan 0.000 0.445 881 R N -2.940 117.200 120.500 -0.599 0.000 2.728 881 R HA 0.741 5.096 4.340 0.025 0.000 0.274 881 R C -1.691 174.356 176.300 -0.422 0.000 1.030 881 R CA -0.820 54.953 56.100 -0.546 0.000 0.876 881 R CB 0.852 30.793 30.300 -0.598 0.000 1.259 881 R HN -0.005 nan 8.270 nan 0.000 0.468 882 I N 1.014 121.373 120.570 -0.351 0.000 2.517 882 I HA 0.619 4.804 4.170 0.025 0.000 0.280 882 I C -0.481 175.408 176.117 -0.380 0.000 1.061 882 I CA -0.329 60.793 61.300 -0.297 0.000 1.091 882 I CB 1.895 39.800 38.000 -0.158 0.000 1.205 882 I HN 0.950 nan 8.210 nan 0.000 0.459 883 G N 5.717 114.228 108.800 -0.481 0.000 2.706 883 G HA2 0.770 4.745 3.960 0.025 0.000 0.307 883 G HA3 0.770 4.745 3.960 0.025 0.000 0.307 883 G C -1.622 173.112 174.900 -0.277 0.000 1.307 883 G CA -0.593 44.270 45.100 -0.396 0.000 0.790 883 G HN 0.257 nan 8.290 nan 0.000 0.503 884 L N 0.752 121.865 121.223 -0.183 0.000 2.301 884 L HA 0.655 5.010 4.340 0.025 0.000 0.264 884 L C -0.664 176.100 176.870 -0.175 0.000 1.016 884 L CA -1.158 53.600 54.840 -0.136 0.000 0.821 884 L CB 2.409 44.463 42.059 -0.008 0.000 1.346 884 L HN 0.784 nan 8.230 nan 0.000 0.429 885 N N 0.494 119.117 118.700 -0.130 0.000 2.494 885 N HA 0.665 5.420 4.740 0.025 0.000 0.270 885 N C -1.296 174.210 175.510 -0.006 0.000 1.285 885 N CA -0.539 52.465 53.050 -0.077 0.000 0.812 885 N CB 2.337 40.795 38.487 -0.048 0.000 1.557 885 N HN 0.835 nan 8.380 nan 0.000 0.487 886 C N -1.098 118.215 119.300 0.021 0.000 3.311 886 C HA 0.597 5.072 4.460 0.025 0.000 0.325 886 C C -1.009 173.830 174.990 -0.251 0.000 1.352 886 C CA -0.843 58.151 59.018 -0.040 0.000 1.308 886 C CB 1.069 28.802 27.740 -0.013 0.000 1.619 886 C HN 0.842 nan 8.230 nan 0.000 0.469 887 Q N 1.308 120.735 119.800 -0.622 0.000 2.400 887 Q HA 0.634 4.989 4.340 0.025 0.000 0.255 887 Q C -1.004 174.689 176.000 -0.512 0.000 1.008 887 Q CA -0.393 54.766 55.803 -1.072 0.000 0.841 887 Q CB 0.787 28.541 28.738 -1.640 0.000 1.220 887 Q HN 0.758 nan 8.270 nan 0.000 0.474 888 L N 2.498 123.524 121.223 -0.330 0.000 2.439 888 L HA 0.212 4.567 4.340 0.025 0.000 0.269 888 L C 1.199 177.997 176.870 -0.120 0.000 1.179 888 L CA -0.113 54.661 54.840 -0.110 0.000 0.828 888 L CB 0.748 42.847 42.059 0.067 0.000 1.106 888 L HN 0.812 nan 8.230 nan 0.000 0.467 889 A N 1.978 124.760 122.820 -0.063 0.000 1.970 889 A HA -0.018 4.317 4.320 0.025 0.000 0.216 889 A C 0.910 178.477 177.584 -0.029 0.000 1.170 889 A CA 0.796 52.788 52.037 -0.076 0.000 0.645 889 A CB -0.084 18.867 19.000 -0.082 0.000 0.816 889 A HN 0.753 nan 8.150 nan 0.000 0.447 890 Q N -1.390 118.430 119.800 0.033 0.000 2.204 890 Q HA 0.615 4.970 4.340 0.025 0.000 0.254 890 Q C -0.855 175.190 176.000 0.075 0.000 0.981 890 Q CA -0.330 55.490 55.803 0.028 0.000 0.897 890 Q CB 2.006 30.750 28.738 0.010 0.000 1.273 890 Q HN 0.098 nan 8.270 nan 0.000 0.464 891 V N 0.534 120.463 119.914 0.025 0.000 2.555 891 V HA 0.901 5.036 4.120 0.025 0.000 0.302 891 V C -0.752 175.298 176.094 -0.073 0.000 1.038 891 V CA -0.748 61.591 62.300 0.064 0.000 0.887 891 V CB 1.523 33.371 31.823 0.041 0.000 0.991 891 V HN 0.820 nan 8.190 nan 0.000 0.434 892 A N 2.325 125.040 122.820 -0.174 0.000 2.423 892 A HA 0.668 5.003 4.320 0.025 0.000 0.304 892 A C 0.614 178.179 177.584 -0.033 0.000 1.104 892 A CA -0.444 51.418 52.037 -0.291 0.000 0.757 892 A CB 1.580 20.128 19.000 -0.754 0.000 1.313 892 A HN 0.847 nan 8.150 nan 0.000 0.423 893 E N -0.109 120.078 120.200 -0.023 0.000 2.072 893 E HA -0.063 4.302 4.350 0.025 0.000 0.190 893 E C 0.173 176.834 176.600 0.102 0.000 0.982 893 E CA 0.827 57.251 56.400 0.041 0.000 0.803 893 E CB 0.159 29.868 29.700 0.015 0.000 0.755 893 E HN 0.496 nan 8.360 nan 0.000 0.453 894 R N -0.224 120.340 120.500 0.108 0.000 2.892 894 R HA 0.504 4.859 4.340 0.025 0.000 0.265 894 R C -0.781 175.693 176.300 0.289 0.000 1.025 894 R CA -0.859 55.344 56.100 0.173 0.000 0.982 894 R CB 1.788 32.163 30.300 0.125 0.000 1.185 894 R HN -0.165 nan 8.270 nan 0.000 0.484 895 V N 1.786 121.892 119.914 0.319 0.000 2.531 895 V HA 0.379 4.513 4.120 0.025 0.000 0.301 895 V C -0.313 176.057 176.094 0.460 0.000 1.034 895 V CA -0.918 61.614 62.300 0.387 0.000 0.865 895 V CB 1.908 33.910 31.823 0.297 0.000 0.995 895 V HN 0.655 nan 8.190 nan 0.000 0.424 896 N N 4.534 123.479 118.700 0.409 0.000 2.346 896 N HA 0.532 5.287 4.740 0.025 0.000 0.289 896 N C -1.410 174.353 175.510 0.422 0.000 1.027 896 N CA -0.422 52.839 53.050 0.353 0.000 0.864 896 N CB 2.628 41.216 38.487 0.168 0.000 1.370 896 N HN 0.819 nan 8.380 nan 0.000 0.481 897 W N 3.099 124.435 121.300 0.059 0.000 3.118 897 W HA 0.586 5.260 4.660 0.025 0.000 0.328 897 W C -1.985 174.500 176.519 -0.057 0.000 1.239 897 W CA -1.135 56.217 57.345 0.011 0.000 1.176 897 W CB 0.760 30.245 29.460 0.041 0.000 1.433 897 W HN 0.224 nan 8.180 nan 0.000 0.562 898 L N 3.918 125.109 121.223 -0.053 0.000 2.301 898 L HA 0.913 5.268 4.340 0.025 0.000 0.278 898 L C -0.050 176.621 176.870 -0.331 0.000 1.022 898 L CA 0.291 54.902 54.840 -0.381 0.000 0.854 898 L CB 0.606 42.531 42.059 -0.223 0.000 1.226 898 L HN 0.977 nan 8.230 nan 0.000 0.429 899 G N 3.719 112.184 108.800 -0.559 0.000 2.348 899 G HA2 0.237 4.212 3.960 0.025 0.000 0.296 899 G HA3 0.237 4.212 3.960 0.025 0.000 0.296 899 G C -1.667 173.256 174.900 0.038 0.000 1.258 899 G CA -1.037 44.007 45.100 -0.094 0.000 0.868 899 G HN 0.417 nan 8.290 nan 0.000 0.488 900 L N 0.968 122.365 121.223 0.291 0.000 2.380 900 L HA 0.632 4.987 4.340 0.025 0.000 0.273 900 L C 1.055 178.056 176.870 0.218 0.000 1.138 900 L CA 0.666 55.643 54.840 0.229 0.000 0.832 900 L CB 0.733 42.872 42.059 0.133 0.000 1.124 900 L HN 1.156 nan 8.230 nan 0.000 0.454 901 G N 2.731 111.440 108.800 -0.152 0.000 2.348 901 G HA2 0.233 4.208 3.960 0.025 0.000 0.296 901 G HA3 0.233 4.208 3.960 0.025 0.000 0.296 901 G C -2.741 171.371 174.900 -1.313 0.000 1.258 901 G CA -0.243 44.453 45.100 -0.673 0.000 0.868 901 G HN 0.318 nan 8.290 nan 0.000 0.488 902 P HA 0.097 nan 4.420 nan 0.000 0.235 902 P C 0.406 177.523 177.300 -0.306 0.000 1.177 902 P CA 0.579 63.035 63.100 -1.072 0.000 0.785 902 P CB 0.484 31.657 31.700 -0.880 0.000 0.885 903 Q N 0.556 120.168 119.800 -0.313 0.000 2.317 903 Q HA 0.153 4.508 4.340 0.025 0.000 0.229 903 Q C 0.357 176.252 176.000 -0.174 0.000 0.984 903 Q CA -0.638 55.056 55.803 -0.181 0.000 0.911 903 Q CB 0.759 29.408 28.738 -0.148 0.000 1.217 903 Q HN 0.128 nan 8.270 nan 0.000 0.501 904 E N 1.392 121.495 120.200 -0.160 0.000 2.568 904 E HA -0.147 4.218 4.350 0.025 0.000 0.262 904 E C -1.089 175.430 176.600 -0.135 0.000 0.961 904 E CA 0.409 56.702 56.400 -0.178 0.000 0.945 904 E CB 0.230 29.898 29.700 -0.054 0.000 0.924 904 E HN 0.604 nan 8.360 nan 0.000 0.467 905 N N 2.607 121.147 118.700 -0.266 0.000 2.405 905 N HA 0.341 5.095 4.740 0.025 0.000 0.274 905 N C -1.865 173.409 175.510 -0.394 0.000 1.170 905 N CA -0.669 52.280 53.050 -0.168 0.000 0.848 905 N CB 0.723 39.134 38.487 -0.127 0.000 1.629 905 N HN 0.246 nan 8.380 nan 0.000 0.481 906 Y N -0.280 119.924 120.300 -0.159 0.000 2.662 906 Y HA 0.518 5.083 4.550 0.025 0.000 0.335 906 Y C -1.694 174.120 175.900 -0.142 0.000 1.066 906 Y CA -2.033 55.954 58.100 -0.189 0.000 1.116 906 Y CB 1.932 40.276 38.460 -0.193 0.000 1.308 906 Y HN 0.437 nan 8.280 nan 0.000 0.502 907 P HA -0.157 nan 4.420 nan 0.000 0.215 907 P C 0.412 177.568 177.300 -0.240 0.000 1.153 907 P CA 2.125 65.238 63.100 0.021 0.000 0.853 907 P CB 0.207 32.027 31.700 0.201 0.000 0.788 908 D N -2.166 117.876 120.400 -0.597 0.000 2.328 908 D HA -0.007 4.648 4.640 0.025 0.000 0.221 908 D C 0.715 176.863 176.300 -0.253 0.000 1.072 908 D CA 0.144 53.611 54.000 -0.888 0.000 0.850 908 D CB -0.253 39.779 40.800 -1.280 0.000 0.922 908 D HN 0.117 nan 8.370 nan 0.000 0.516 909 R N 0.950 121.398 120.500 -0.087 0.000 2.627 909 R HA 0.194 4.549 4.340 0.025 0.000 0.251 909 R C -0.617 175.712 176.300 0.048 0.000 1.524 909 R CA -0.161 55.953 56.100 0.025 0.000 1.606 909 R CB 0.070 30.388 30.300 0.031 0.000 1.396 909 R HN 0.100 nan 8.270 nan 0.000 0.724 910 L N -1.820 119.439 121.223 0.060 0.000 3.410 910 L HA 0.341 4.696 4.340 0.025 0.000 0.309 910 L C 1.305 178.232 176.870 0.095 0.000 1.254 910 L CA 0.031 54.905 54.840 0.058 0.000 1.048 910 L CB 0.213 42.293 42.059 0.035 0.000 1.442 910 L HN 0.077 nan 8.230 nan 0.000 0.615 911 T N -2.648 111.989 114.554 0.139 0.000 2.867 911 T HA 0.009 4.374 4.350 0.025 0.000 0.268 911 T C 1.780 176.520 174.700 0.066 0.000 1.057 911 T CA 1.321 63.525 62.100 0.175 0.000 1.136 911 T CB -0.288 68.741 68.868 0.268 0.000 0.874 911 T HN 0.387 nan 8.240 nan 0.000 0.466 912 A N 1.678 124.540 122.820 0.070 0.000 2.067 912 A HA 0.644 4.979 4.320 0.025 0.000 0.217 912 A C 1.659 179.330 177.584 0.145 0.000 1.156 912 A CA 0.546 52.588 52.037 0.009 0.000 0.683 912 A CB -0.971 18.178 19.000 0.248 0.000 0.808 912 A HN 0.844 nan 8.150 nan 0.000 0.455 913 A N -1.103 121.750 122.820 0.055 0.000 2.425 913 A HA 0.438 4.772 4.320 0.025 0.000 0.242 913 A C 0.068 177.682 177.584 0.050 0.000 1.077 913 A CA -0.009 52.022 52.037 -0.012 0.000 0.781 913 A CB -0.143 18.839 19.000 -0.031 0.000 1.020 913 A HN 0.485 nan 8.150 nan 0.000 0.494 914 C N 0.395 119.724 119.300 0.048 0.000 2.529 914 C HA 0.566 5.041 4.460 0.025 0.000 0.329 914 C C -0.160 174.945 174.990 0.191 0.000 1.194 914 C CA -0.467 58.637 59.018 0.143 0.000 1.779 914 C CB 0.949 28.803 27.740 0.190 0.000 2.322 914 C HN 0.787 nan 8.230 nan 0.000 0.500 915 F N 3.490 123.285 119.950 -0.257 0.000 2.421 915 F HA 0.497 5.039 4.527 0.025 0.000 0.358 915 F C 0.300 175.768 175.800 -0.554 0.000 1.115 915 F CA 1.050 58.736 58.000 -0.524 0.000 1.160 915 F CB -0.041 38.072 39.000 -1.477 0.000 1.123 915 F HN 0.617 nan 8.300 nan 0.000 0.508 916 D N 3.267 123.034 120.400 -1.055 0.000 2.865 916 D HA 0.197 4.852 4.640 0.025 0.000 0.343 916 D C -1.656 173.758 176.300 -1.475 0.000 1.372 916 D CA -0.708 52.567 54.000 -1.209 0.000 0.862 916 D CB 1.504 41.508 40.800 -1.326 0.000 1.425 916 D HN 0.483 nan 8.370 nan 0.000 0.501 917 R N 0.673 120.392 120.500 -1.302 0.000 2.229 917 R HA 0.530 4.885 4.340 0.025 0.000 0.332 917 R C -1.439 174.148 176.300 -1.188 0.000 0.989 917 R CA -0.279 55.207 56.100 -1.023 0.000 0.842 917 R CB 0.256 30.202 30.300 -0.590 0.000 1.119 917 R HN 0.286 nan 8.270 nan 0.000 0.456 918 W N 2.601 123.387 121.300 -0.855 0.000 2.639 918 W HA 0.429 5.103 4.660 0.025 0.000 0.347 918 W C -0.435 175.716 176.519 -0.613 0.000 1.067 918 W CA -0.652 56.143 57.345 -0.917 0.000 1.218 918 W CB 1.745 30.159 29.460 -1.744 0.000 1.393 918 W HN 0.398 nan 8.180 nan 0.000 0.557 919 D N 2.595 122.970 120.400 -0.041 0.000 2.763 919 D HA 0.425 5.080 4.640 0.025 0.000 0.235 919 D C -1.588 174.821 176.300 0.181 0.000 1.334 919 D CA -0.172 53.891 54.000 0.104 0.000 0.950 919 D CB 1.059 41.874 40.800 0.026 0.000 1.433 919 D HN 0.372 nan 8.370 nan 0.000 0.580 920 L N 3.242 124.647 121.223 0.303 0.000 2.350 920 L HA 0.564 4.919 4.340 0.025 0.000 0.260 920 L C -2.244 174.748 176.870 0.203 0.000 1.015 920 L CA -2.165 52.819 54.840 0.239 0.000 0.821 920 L CB 2.729 44.968 42.059 0.299 0.000 1.370 920 L HN 0.195 nan 8.230 nan 0.000 0.416 921 P HA -0.006 nan 4.420 nan 0.000 0.269 921 P C 0.526 177.906 177.300 0.134 0.000 1.215 921 P CA -0.324 62.848 63.100 0.121 0.000 0.780 921 P CB 0.937 32.687 31.700 0.082 0.000 0.898 922 L N 3.350 124.657 121.223 0.139 0.000 2.042 922 L HA -0.227 4.128 4.340 0.025 0.000 0.210 922 L C 2.307 179.228 176.870 0.085 0.000 1.076 922 L CA 2.674 57.589 54.840 0.125 0.000 0.749 922 L CB -1.562 40.584 42.059 0.145 0.000 0.893 922 L HN 0.461 nan 8.230 nan 0.000 0.432 923 S N -1.836 113.913 115.700 0.083 0.000 2.442 923 S HA -0.164 4.321 4.470 0.025 0.000 0.236 923 S C 1.565 176.239 174.600 0.124 0.000 1.007 923 S CA 1.064 59.329 58.200 0.108 0.000 0.965 923 S CB -0.765 62.496 63.200 0.102 0.000 0.773 923 S HN 0.509 nan 8.310 nan 0.000 0.504 924 D N 1.265 121.714 120.400 0.082 0.000 2.350 924 D HA 0.073 4.728 4.640 0.025 0.000 0.216 924 D C 1.243 177.556 176.300 0.021 0.000 0.968 924 D CA 0.634 54.662 54.000 0.047 0.000 0.894 924 D CB -0.158 40.674 40.800 0.053 0.000 0.909 924 D HN 0.392 nan 8.370 nan 0.000 0.520 925 M N -0.485 119.137 119.600 0.037 0.000 2.561 925 M HA 0.056 4.550 4.480 0.025 0.000 0.238 925 M C -0.027 176.287 176.300 0.023 0.000 1.131 925 M CA -0.008 55.270 55.300 -0.036 0.000 1.046 925 M CB -0.746 31.818 32.600 -0.061 0.000 1.532 925 M HN -0.047 nan 8.290 nan 0.000 0.497 926 Y N 0.065 120.335 120.300 -0.050 0.000 2.376 926 Y HA 0.499 5.064 4.550 0.025 0.000 0.340 926 Y C -0.787 175.091 175.900 -0.036 0.000 0.965 926 Y CA -1.059 57.038 58.100 -0.006 0.000 1.078 926 Y CB 1.302 39.816 38.460 0.089 0.000 1.193 926 Y HN -0.132 nan 8.280 nan 0.000 0.452 927 T N 9.009 123.182 114.554 -0.636 0.000 2.756 927 T HA 0.291 4.656 4.350 0.025 0.000 0.290 927 T C -2.691 171.349 174.700 -1.101 0.000 0.985 927 T CA -1.484 60.163 62.100 -0.754 0.000 0.955 927 T CB 1.091 69.586 68.868 -0.622 0.000 0.930 927 T HN 0.462 nan 8.240 nan 0.000 0.451 928 P HA 0.146 nan 4.420 nan 0.000 0.220 928 P C -0.711 176.567 177.300 -0.037 0.000 1.806 928 P CA -0.520 62.231 63.100 -0.582 0.000 0.976 928 P CB -0.549 30.939 31.700 -0.353 0.000 1.952 929 Y N -0.091 120.257 120.300 0.079 0.000 2.712 929 Y HA -0.101 4.464 4.550 0.025 0.000 0.333 929 Y C 2.258 178.280 175.900 0.203 0.000 1.225 929 Y CA 0.107 58.322 58.100 0.192 0.000 1.499 929 Y CB 0.181 38.638 38.460 -0.006 0.000 1.288 929 Y HN -0.059 nan 8.280 nan 0.000 0.575 930 V N 3.151 123.343 119.914 0.462 0.000 2.343 930 V HA -0.278 3.857 4.120 0.025 0.000 0.247 930 V C 0.616 176.896 176.094 0.309 0.000 1.051 930 V CA 1.309 63.837 62.300 0.380 0.000 1.036 930 V CB -0.609 31.466 31.823 0.419 0.000 0.654 930 V HN 0.602 nan 8.190 nan 0.000 0.451 931 F N 3.193 123.190 119.950 0.079 0.000 2.375 931 F HA 0.498 5.040 4.527 0.025 0.000 0.362 931 F C -2.451 173.354 175.800 0.009 0.000 1.129 931 F CA -3.464 54.518 58.000 -0.029 0.000 1.154 931 F CB 0.645 39.500 39.000 -0.241 0.000 1.205 931 F HN 0.003 nan 8.300 nan 0.000 0.513 932 P HA 0.292 nan 4.420 nan 0.000 0.271 932 P C -1.062 175.929 177.300 -0.515 0.000 1.218 932 P CA 0.016 62.891 63.100 -0.376 0.000 0.780 932 P CB 1.293 32.794 31.700 -0.331 0.000 0.901 933 S N -0.294 115.297 115.700 -0.182 0.000 2.703 933 S HA 0.433 4.918 4.470 0.025 0.000 0.273 933 S C -0.839 173.750 174.600 -0.019 0.000 1.178 933 S CA -0.949 57.176 58.200 -0.123 0.000 0.838 933 S CB 0.306 63.455 63.200 -0.085 0.000 1.178 933 S HN 0.327 nan 8.310 nan 0.000 0.494 934 E N 1.262 121.461 120.200 -0.002 0.000 2.608 934 E HA 0.331 4.696 4.350 0.025 0.000 0.259 934 E C -0.213 176.440 176.600 0.089 0.000 0.951 934 E CA 0.862 57.292 56.400 0.050 0.000 0.945 934 E CB -0.292 29.459 29.700 0.083 0.000 0.916 934 E HN 0.775 nan 8.360 nan 0.000 0.477 935 N N 1.754 120.551 118.700 0.160 0.000 2.823 935 N HA 0.518 5.273 4.740 0.025 0.000 0.251 935 N C 0.206 175.793 175.510 0.128 0.000 1.392 935 N CA -0.483 52.708 53.050 0.235 0.000 0.864 935 N CB 1.097 39.736 38.487 0.253 0.000 1.481 935 N HN 0.693 nan 8.380 nan 0.000 0.508 936 G N -1.261 107.578 108.800 0.065 0.000 2.179 936 G HA2 -0.259 3.716 3.960 0.025 0.000 0.260 936 G HA3 -0.259 3.716 3.960 0.025 0.000 0.260 936 G C -0.187 174.462 174.900 -0.417 0.000 0.977 936 G CA 0.347 45.358 45.100 -0.149 0.000 0.641 936 G HN 0.726 nan 8.290 nan 0.000 0.533 937 L N 0.180 121.072 121.223 -0.551 0.000 2.499 937 L HA 0.655 5.010 4.340 0.025 0.000 0.281 937 L C 0.674 176.962 176.870 -0.970 0.000 1.234 937 L CA 0.452 54.726 54.840 -0.943 0.000 0.839 937 L CB 0.507 41.693 42.059 -1.455 0.000 1.104 937 L HN 0.268 nan 8.230 nan 0.000 0.500 938 R N 2.196 122.036 120.500 -1.101 0.000 2.575 938 R HA 0.516 4.871 4.340 0.025 0.000 0.293 938 R C -0.978 174.976 176.300 -0.576 0.000 0.983 938 R CA -0.284 55.324 56.100 -0.820 0.000 0.887 938 R CB 1.483 31.178 30.300 -1.008 0.000 1.184 938 R HN 0.700 nan 8.270 nan 0.000 0.445 939 C N 0.124 119.238 119.300 -0.310 0.000 2.547 939 C HA 0.727 5.202 4.460 0.025 0.000 0.411 939 C C 1.238 176.212 174.990 -0.026 0.000 1.424 939 C CA 0.030 58.940 59.018 -0.181 0.000 1.848 939 C CB 1.363 29.020 27.740 -0.139 0.000 2.062 939 C HN 1.019 nan 8.230 nan 0.000 0.504 940 G N 1.638 110.434 108.800 -0.007 0.000 2.341 940 G HA2 -0.187 3.788 3.960 0.025 0.000 0.292 940 G HA3 -0.187 3.788 3.960 0.025 0.000 0.292 940 G C -0.050 174.921 174.900 0.119 0.000 1.021 940 G CA 0.650 45.799 45.100 0.083 0.000 0.905 940 G HN 0.783 nan 8.290 nan 0.000 0.508 941 T N -0.065 114.431 114.554 -0.097 0.000 2.799 941 T HA 0.520 4.885 4.350 0.025 0.000 0.286 941 T C 1.328 175.732 174.700 -0.494 0.000 0.973 941 T CA -0.660 61.335 62.100 -0.175 0.000 1.035 941 T CB 1.323 70.119 68.868 -0.121 0.000 0.932 941 T HN 0.206 nan 8.240 nan 0.000 0.469 942 R N 1.571 122.002 120.500 -0.114 0.000 2.254 942 R HA 0.287 4.642 4.340 0.025 0.000 0.193 942 R C 0.532 176.869 176.300 0.062 0.000 0.929 942 R CA 0.233 56.322 56.100 -0.019 0.000 1.038 942 R CB 0.360 30.779 30.300 0.198 0.000 1.009 942 R HN 0.686 nan 8.270 nan 0.000 0.512 943 E N 0.471 120.719 120.200 0.079 0.000 2.321 943 E HA 0.337 4.702 4.350 0.025 0.000 0.281 943 E C -1.866 174.884 176.600 0.251 0.000 0.910 943 E CA -0.653 55.877 56.400 0.217 0.000 0.770 943 E CB 1.522 31.309 29.700 0.145 0.000 1.225 943 E HN -0.080 nan 8.360 nan 0.000 0.417 944 L N 3.964 125.399 121.223 0.354 0.000 2.408 944 L HA 0.619 4.974 4.340 0.025 0.000 0.268 944 L C -1.835 175.229 176.870 0.324 0.000 0.986 944 L CA -0.376 54.606 54.840 0.236 0.000 0.820 944 L CB 1.842 43.892 42.059 -0.015 0.000 1.303 944 L HN 0.473 nan 8.230 nan 0.000 0.411 945 N N 4.134 122.995 118.700 0.269 0.000 2.314 945 N HA 0.431 5.186 4.740 0.025 0.000 0.294 945 N C -2.017 173.717 175.510 0.372 0.000 1.029 945 N CA -0.271 52.932 53.050 0.255 0.000 0.845 945 N CB 2.281 40.861 38.487 0.154 0.000 1.321 945 N HN 0.628 nan 8.380 nan 0.000 0.481 946 Y N 0.981 121.413 120.300 0.220 0.000 2.323 946 Y HA 0.406 4.971 4.550 0.025 0.000 0.322 946 Y C 0.563 176.557 175.900 0.157 0.000 1.133 946 Y CA 0.198 58.428 58.100 0.217 0.000 1.093 946 Y CB 0.624 39.282 38.460 0.330 0.000 1.203 946 Y HN 0.859 nan 8.280 nan 0.000 0.427 947 G N 6.471 115.075 108.800 -0.327 0.000 2.574 947 G HA2 -0.285 3.690 3.960 0.025 0.000 0.286 947 G HA3 -0.285 3.690 3.960 0.025 0.000 0.286 947 G C -1.935 172.839 174.900 -0.211 0.000 1.212 947 G CA 0.083 44.998 45.100 -0.308 0.000 0.979 947 G HN 0.605 nan 8.290 nan 0.000 0.557 948 P HA 0.189 nan 4.420 nan 0.000 0.261 948 P C 0.122 177.215 177.300 -0.345 0.000 1.268 948 P CA 0.461 63.380 63.100 -0.301 0.000 0.833 948 P CB 0.068 31.554 31.700 -0.356 0.000 1.231 949 H N 0.526 119.533 119.070 -0.104 0.000 2.482 949 H HA 0.448 5.019 4.556 0.025 0.000 0.344 949 H C -0.015 175.023 175.328 -0.483 0.000 1.151 949 H CA 0.065 55.931 56.048 -0.303 0.000 1.300 949 H CB 1.590 30.987 29.762 -0.608 0.000 1.494 949 H HN 0.103 nan 8.280 nan 0.000 0.542 950 Q N 2.410 121.934 119.800 -0.459 0.000 2.331 950 Q HA 0.239 4.594 4.340 0.025 0.000 0.272 950 Q C -1.635 174.080 176.000 -0.476 0.000 1.062 950 Q CA -0.732 54.887 55.803 -0.306 0.000 0.806 950 Q CB 2.108 30.817 28.738 -0.047 0.000 1.312 950 Q HN 0.587 nan 8.270 nan 0.000 0.431 951 W N 3.993 125.267 121.300 -0.043 0.000 2.587 951 W HA 0.559 5.234 4.660 0.025 0.000 0.324 951 W C -0.276 176.337 176.519 0.156 0.000 1.040 951 W CA -0.745 56.544 57.345 -0.094 0.000 1.222 951 W CB 1.931 31.121 29.460 -0.449 0.000 1.381 951 W HN 0.522 nan 8.180 nan 0.000 0.483 952 R N 0.984 121.727 120.500 0.405 0.000 2.740 952 R HA 0.808 5.163 4.340 0.025 0.000 0.282 952 R C 0.233 176.818 176.300 0.474 0.000 0.969 952 R CA -0.489 55.865 56.100 0.425 0.000 0.918 952 R CB 2.365 32.822 30.300 0.263 0.000 1.175 952 R HN 0.737 nan 8.270 nan 0.000 0.464 953 G N 0.706 109.789 108.800 0.472 0.000 2.566 953 G HA2 0.035 4.010 3.960 0.025 0.000 0.138 953 G HA3 0.035 4.010 3.960 0.025 0.000 0.138 953 G C -1.783 173.263 174.900 0.243 0.000 1.133 953 G CA -0.337 45.011 45.100 0.414 0.000 1.037 953 G HN 0.494 nan 8.290 nan 0.000 0.491 954 D N -0.077 120.461 120.400 0.231 0.000 2.411 954 D HA 0.576 5.231 4.640 0.025 0.000 0.239 954 D C -0.764 175.542 176.300 0.010 0.000 1.307 954 D CA -0.488 53.524 54.000 0.020 0.000 0.930 954 D CB 0.215 41.061 40.800 0.077 0.000 1.395 954 D HN 0.570 nan 8.370 nan 0.000 0.536 955 F N -0.127 119.824 119.950 0.002 0.000 2.726 955 F HA 0.743 5.285 4.527 0.025 0.000 0.324 955 F C -1.112 174.649 175.800 -0.066 0.000 1.140 955 F CA -1.008 56.929 58.000 -0.105 0.000 0.964 955 F CB 0.821 39.757 39.000 -0.106 0.000 1.399 955 F HN -0.145 nan 8.300 nan 0.000 0.491 956 Q N 1.656 121.532 119.800 0.128 0.000 2.345 956 Q HA 0.621 4.976 4.340 0.025 0.000 0.268 956 Q C -1.285 174.773 176.000 0.096 0.000 1.054 956 Q CA -0.498 55.289 55.803 -0.027 0.000 0.835 956 Q CB 2.652 31.270 28.738 -0.201 0.000 1.339 956 Q HN 0.833 nan 8.270 nan 0.000 0.447 957 F N -0.979 118.862 119.950 -0.183 0.000 2.662 957 F HA 0.779 5.321 4.527 0.025 0.000 0.312 957 F C -1.375 174.212 175.800 -0.355 0.000 1.113 957 F CA -1.120 56.731 58.000 -0.247 0.000 0.951 957 F CB 1.547 40.423 39.000 -0.206 0.000 1.344 957 F HN 0.562 nan 8.300 nan 0.000 0.462 958 N N 1.253 119.780 118.700 -0.289 0.000 2.416 958 N HA 0.727 5.482 4.740 0.025 0.000 0.276 958 N C -2.144 173.303 175.510 -0.105 0.000 1.261 958 N CA -0.744 52.109 53.050 -0.328 0.000 0.790 958 N CB 2.540 40.844 38.487 -0.305 0.000 1.554 958 N HN 1.127 nan 8.380 nan 0.000 0.481 959 I N 0.318 120.821 120.570 -0.111 0.000 2.649 959 I HA 0.671 4.856 4.170 0.025 0.000 0.289 959 I C -1.481 174.550 176.117 -0.142 0.000 1.222 959 I CA 0.051 61.252 61.300 -0.166 0.000 1.046 959 I CB 1.354 39.191 38.000 -0.272 0.000 1.272 959 I HN 1.062 nan 8.210 nan 0.000 0.425 960 S N 6.138 121.761 115.700 -0.128 0.000 2.636 960 S HA 0.498 4.983 4.470 0.025 0.000 0.266 960 S C -0.271 174.212 174.600 -0.195 0.000 1.147 960 S CA -1.013 57.098 58.200 -0.147 0.000 0.815 960 S CB 1.680 64.844 63.200 -0.060 0.000 1.119 960 S HN 0.640 nan 8.310 nan 0.000 0.470 961 R N -0.102 120.104 120.500 -0.491 0.000 2.335 961 R HA 0.222 4.577 4.340 0.025 0.000 0.223 961 R C -0.954 175.034 176.300 -0.519 0.000 0.940 961 R CA 0.337 56.145 56.100 -0.487 0.000 1.086 961 R CB -0.891 29.037 30.300 -0.620 0.000 1.073 961 R HN 0.614 nan 8.270 nan 0.000 0.504 962 Y N 0.061 120.333 120.300 -0.047 0.000 2.361 962 Y HA 0.207 4.771 4.550 0.025 0.000 0.337 962 Y C 0.689 176.387 175.900 -0.336 0.000 0.965 962 Y CA -1.570 56.419 58.100 -0.186 0.000 1.091 962 Y CB 1.392 39.686 38.460 -0.278 0.000 1.182 962 Y HN -0.079 nan 8.280 nan 0.000 0.450 963 S N 1.761 117.144 115.700 -0.528 0.000 2.600 963 S HA 0.067 4.552 4.470 0.025 0.000 0.265 963 S C 0.917 175.175 174.600 -0.570 0.000 1.325 963 S CA -0.678 56.813 58.200 -1.182 0.000 1.002 963 S CB 1.002 63.346 63.200 -1.425 0.000 0.921 963 S HN 0.698 nan 8.310 nan 0.000 0.554 964 Q N 0.566 120.041 119.800 -0.540 0.000 2.124 964 Q HA -0.192 4.162 4.340 0.025 0.000 0.202 964 Q C 2.254 178.110 176.000 -0.240 0.000 0.977 964 Q CA 1.776 57.408 55.803 -0.286 0.000 0.850 964 Q CB -0.554 28.049 28.738 -0.225 0.000 0.901 964 Q HN 0.968 nan 8.270 nan 0.000 0.429 965 Q N 0.819 120.438 119.800 -0.302 0.000 2.061 965 Q HA -0.243 4.112 4.340 0.025 0.000 0.204 965 Q C 2.139 178.034 176.000 -0.176 0.000 0.984 965 Q CA 1.747 57.434 55.803 -0.194 0.000 0.846 965 Q CB -0.024 28.603 28.738 -0.185 0.000 0.902 965 Q HN 0.400 nan 8.270 nan 0.000 0.421 966 Q N -0.061 119.607 119.800 -0.220 0.000 2.084 966 Q HA -0.171 4.184 4.340 0.025 0.000 0.202 966 Q C 2.181 178.061 176.000 -0.200 0.000 0.978 966 Q CA 1.416 57.105 55.803 -0.189 0.000 0.844 966 Q CB -0.072 28.532 28.738 -0.224 0.000 0.898 966 Q HN 0.499 nan 8.270 nan 0.000 0.426 967 L N 0.455 121.553 121.223 -0.209 0.000 2.083 967 L HA -0.199 4.156 4.340 0.025 0.000 0.209 967 L C 2.681 179.420 176.870 -0.218 0.000 1.083 967 L CA 1.430 56.141 54.840 -0.216 0.000 0.752 967 L CB -0.465 41.499 42.059 -0.158 0.000 0.899 967 L HN 0.470 nan 8.230 nan 0.000 0.433 968 M N -1.586 117.917 119.600 -0.162 0.000 2.419 968 M HA -0.063 4.432 4.480 0.025 0.000 0.264 968 M C 1.329 177.560 176.300 -0.116 0.000 1.082 968 M CA 1.559 56.780 55.300 -0.131 0.000 1.119 968 M CB -0.237 32.303 32.600 -0.099 0.000 1.398 968 M HN 0.092 nan 8.290 nan 0.000 0.453 969 E N 0.988 121.119 120.200 -0.116 0.000 2.479 969 E HA 0.117 4.482 4.350 0.025 0.000 0.193 969 E C -0.443 176.112 176.600 -0.076 0.000 1.049 969 E CA 0.087 56.441 56.400 -0.076 0.000 0.870 969 E CB 0.560 30.223 29.700 -0.061 0.000 0.944 969 E HN 0.415 nan 8.360 nan 0.000 0.492 970 T N -0.002 114.471 114.554 -0.135 0.000 2.807 970 T HA 0.125 4.490 4.350 0.025 0.000 0.279 970 T C 0.821 175.420 174.700 -0.168 0.000 0.993 970 T CA -0.590 61.431 62.100 -0.132 0.000 0.970 970 T CB 1.713 70.470 68.868 -0.185 0.000 0.950 970 T HN -0.007 nan 8.240 nan 0.000 0.441 971 S N 1.370 117.074 115.700 0.008 0.000 2.535 971 S HA 0.170 4.655 4.470 0.025 0.000 0.214 971 S C 0.148 174.824 174.600 0.127 0.000 0.980 971 S CA 0.018 58.303 58.200 0.143 0.000 0.907 971 S CB -0.185 63.252 63.200 0.395 0.000 0.790 971 S HN 0.735 nan 8.310 nan 0.000 0.510 972 H N 0.822 119.913 119.070 0.035 0.000 2.759 972 H HA 0.462 5.033 4.556 0.025 0.000 0.354 972 H C 0.892 176.209 175.328 -0.019 0.000 1.074 972 H CA -0.815 55.306 56.048 0.122 0.000 1.226 972 H CB 1.533 31.328 29.762 0.055 0.000 1.648 972 H HN 0.125 nan 8.280 nan 0.000 0.529 973 R N 2.121 122.742 120.500 0.201 0.000 2.159 973 R HA -0.182 4.173 4.340 0.025 0.000 0.237 973 R C 1.175 177.505 176.300 0.049 0.000 1.131 973 R CA 1.933 58.087 56.100 0.090 0.000 0.982 973 R CB -0.426 29.974 30.300 0.168 0.000 0.868 973 R HN 0.764 nan 8.270 nan 0.000 0.453 974 H N 0.890 119.962 119.070 0.004 0.000 2.546 974 H HA 0.034 4.605 4.556 0.025 0.000 0.277 974 H C 1.412 176.659 175.328 -0.135 0.000 1.004 974 H CA 0.734 56.742 56.048 -0.067 0.000 1.231 974 H CB -0.093 29.605 29.762 -0.108 0.000 1.382 974 H HN 0.321 nan 8.280 nan 0.000 0.580 975 L N 0.947 121.820 121.223 -0.584 0.000 2.607 975 L HA 0.225 4.580 4.340 0.025 0.000 0.228 975 L C 0.663 177.398 176.870 -0.225 0.000 1.123 975 L CA -0.167 54.384 54.840 -0.482 0.000 0.890 975 L CB 0.177 41.905 42.059 -0.551 0.000 1.103 975 L HN 0.052 nan 8.230 nan 0.000 0.468 976 L N 0.916 122.005 121.223 -0.224 0.000 2.439 976 L HA 0.135 4.490 4.340 0.025 0.000 0.269 976 L C 0.187 177.028 176.870 -0.049 0.000 1.179 976 L CA -0.036 54.645 54.840 -0.263 0.000 0.828 976 L CB 0.371 42.059 42.059 -0.618 0.000 1.106 976 L HN 0.216 nan 8.230 nan 0.000 0.467 977 H N 1.661 120.744 119.070 0.022 0.000 2.679 977 H HA 0.578 5.149 4.556 0.025 0.000 0.360 977 H C -0.835 174.627 175.328 0.223 0.000 1.105 977 H CA -1.223 54.889 56.048 0.107 0.000 1.196 977 H CB 1.416 31.196 29.762 0.030 0.000 1.636 977 H HN 0.675 nan 8.280 nan 0.000 0.531 978 A N 3.641 126.587 122.820 0.210 0.000 2.520 978 A HA 0.096 4.431 4.320 0.025 0.000 0.245 978 A C 0.340 177.980 177.584 0.092 0.000 1.072 978 A CA -0.142 51.883 52.037 -0.020 0.000 0.761 978 A CB -0.060 18.899 19.000 -0.069 0.000 1.004 978 A HN 0.844 nan 8.150 nan 0.000 0.499 979 E N 1.050 121.265 120.200 0.024 0.000 2.322 979 E HA 0.218 4.583 4.350 0.025 0.000 0.257 979 E C -0.088 176.548 176.600 0.060 0.000 1.155 979 E CA -0.691 55.793 56.400 0.139 0.000 0.936 979 E CB 0.763 30.611 29.700 0.247 0.000 1.130 979 E HN 0.796 nan 8.360 nan 0.000 0.465 980 E N 0.026 120.258 120.200 0.052 0.000 2.398 980 E HA 0.216 4.581 4.350 0.025 0.000 0.263 980 E C 0.341 176.887 176.600 -0.090 0.000 1.046 980 E CA 0.609 56.999 56.400 -0.017 0.000 0.908 980 E CB 0.498 30.184 29.700 -0.022 0.000 0.963 980 E HN 0.670 nan 8.360 nan 0.000 0.431 981 G N 2.407 111.157 108.800 -0.083 0.000 2.598 981 G HA2 -0.235 3.740 3.960 0.025 0.000 0.244 981 G HA3 -0.235 3.740 3.960 0.025 0.000 0.244 981 G C -0.601 174.222 174.900 -0.128 0.000 1.302 981 G CA -0.110 44.922 45.100 -0.113 0.000 0.903 981 G HN 0.608 nan 8.290 nan 0.000 0.575 982 T N 0.216 114.667 114.554 -0.173 0.000 2.928 982 T HA 0.494 4.858 4.350 0.025 0.000 0.296 982 T C -0.813 173.726 174.700 -0.269 0.000 1.000 982 T CA -0.180 61.829 62.100 -0.151 0.000 0.989 982 T CB 1.280 70.140 68.868 -0.013 0.000 1.005 982 T HN 0.568 nan 8.240 nan 0.000 0.442 983 W N 3.217 124.414 121.300 -0.172 0.000 2.322 983 W HA 0.601 5.276 4.660 0.025 0.000 0.307 983 W C -0.242 176.135 176.519 -0.237 0.000 1.220 983 W CA -0.668 56.573 57.345 -0.173 0.000 1.210 983 W CB 0.709 30.080 29.460 -0.148 0.000 1.223 983 W HN 0.363 nan 8.180 nan 0.000 0.511 984 L N 5.683 126.892 121.223 -0.023 0.000 2.325 984 L HA 0.495 4.850 4.340 0.025 0.000 0.281 984 L C -0.975 175.785 176.870 -0.183 0.000 1.004 984 L CA -0.476 54.229 54.840 -0.226 0.000 0.823 984 L CB 0.755 42.527 42.059 -0.478 0.000 1.236 984 L HN 0.316 nan 8.230 nan 0.000 0.415 985 N N 6.274 124.859 118.700 -0.191 0.000 2.417 985 N HA 0.441 5.196 4.740 0.025 0.000 0.274 985 N C -1.206 174.152 175.510 -0.252 0.000 0.987 985 N CA -0.229 52.706 53.050 -0.192 0.000 0.912 985 N CB 2.629 41.031 38.487 -0.142 0.000 1.177 985 N HN 0.690 nan 8.380 nan 0.000 0.490 986 I N 1.408 121.785 120.570 -0.321 0.000 2.411 986 I HA 0.311 4.496 4.170 0.025 0.000 0.284 986 I C -1.184 174.741 176.117 -0.319 0.000 1.012 986 I CA -0.576 60.500 61.300 -0.374 0.000 1.119 986 I CB 0.818 38.387 38.000 -0.718 0.000 1.261 986 I HN 0.199 nan 8.210 nan 0.000 0.448 987 D N 5.238 125.486 120.400 -0.254 0.000 2.193 987 D HA 0.316 4.971 4.640 0.025 0.000 0.244 987 D C 0.885 176.866 176.300 -0.531 0.000 1.064 987 D CA -0.230 53.552 54.000 -0.364 0.000 0.845 987 D CB 2.273 42.965 40.800 -0.179 0.000 1.148 987 D HN 0.748 nan 8.370 nan 0.000 0.464 988 G N 1.213 109.343 108.800 -1.116 0.000 2.421 988 G HA2 -0.021 3.954 3.960 0.025 0.000 0.217 988 G HA3 -0.021 3.954 3.960 0.025 0.000 0.217 988 G C 0.103 174.233 174.900 -1.282 0.000 1.143 988 G CA 0.547 44.897 45.100 -1.249 0.000 0.784 988 G HN 0.376 nan 8.290 nan 0.000 0.541 989 F N -2.208 117.543 119.950 -0.330 0.000 2.619 989 F HA 0.571 5.113 4.527 0.025 0.000 0.308 989 F C -0.584 175.113 175.800 -0.172 0.000 1.097 989 F CA -1.154 56.728 58.000 -0.196 0.000 0.953 989 F CB 2.136 40.931 39.000 -0.340 0.000 1.287 989 F HN 0.030 nan 8.300 nan 0.000 0.446 990 H N 1.943 121.008 119.070 -0.008 0.000 2.865 990 H HA 0.536 5.107 4.556 0.025 0.000 0.362 990 H C -0.883 174.458 175.328 0.022 0.000 1.114 990 H CA -0.864 55.154 56.048 -0.049 0.000 1.208 990 H CB 1.853 31.572 29.762 -0.073 0.000 1.727 990 H HN 0.770 nan 8.280 nan 0.000 0.534 991 M N 3.319 122.861 119.600 -0.098 0.000 2.245 991 M HA 0.290 4.785 4.480 0.025 0.000 0.330 991 M C 0.509 176.915 176.300 0.176 0.000 1.098 991 M CA 0.360 55.677 55.300 0.027 0.000 1.172 991 M CB 0.374 32.893 32.600 -0.134 0.000 1.467 991 M HN 0.838 nan 8.290 nan 0.000 0.454 992 G N 2.637 111.516 108.800 0.130 0.000 2.664 992 G HA2 0.273 4.248 3.960 0.025 0.000 0.242 992 G HA3 0.273 4.248 3.960 0.025 0.000 0.242 992 G C 0.590 175.459 174.900 -0.051 0.000 1.225 992 G CA -0.366 44.736 45.100 0.003 0.000 0.849 992 G HN 0.970 nan 8.290 nan 0.000 0.581 993 I N -1.514 118.979 120.570 -0.129 0.000 3.645 993 I HA 0.402 4.587 4.170 0.025 0.000 0.300 993 I C 1.247 177.284 176.117 -0.133 0.000 1.260 993 I CA 0.418 61.606 61.300 -0.188 0.000 1.365 993 I CB -0.583 37.203 38.000 -0.357 0.000 1.077 993 I HN 0.923 nan 8.210 nan 0.000 0.439 994 G N 1.729 110.475 108.800 -0.091 0.000 2.601 994 G HA2 0.004 3.979 3.960 0.025 0.000 0.252 994 G HA3 0.004 3.979 3.960 0.025 0.000 0.252 994 G C 0.602 175.485 174.900 -0.028 0.000 1.294 994 G CA 0.227 45.311 45.100 -0.026 0.000 0.912 994 G HN 1.401 nan 8.290 nan 0.000 0.574 995 G N -2.397 106.399 108.800 -0.007 0.000 2.370 995 G HA2 -0.005 3.970 3.960 0.025 0.000 0.174 995 G HA3 -0.005 3.970 3.960 0.025 0.000 0.174 995 G C 0.666 175.607 174.900 0.069 0.000 1.002 995 G CA 0.925 46.026 45.100 0.002 0.000 0.730 995 G HN 0.975 nan 8.290 nan 0.000 0.497 996 D N 1.227 121.694 120.400 0.112 0.000 2.158 996 D HA 0.061 4.716 4.640 0.025 0.000 0.197 996 D C 1.069 177.392 176.300 0.040 0.000 0.995 996 D CA 2.135 56.267 54.000 0.220 0.000 0.846 996 D CB 0.122 41.063 40.800 0.235 0.000 0.941 996 D HN 0.812 nan 8.370 nan 0.000 0.456 997 D N -3.231 116.978 120.400 -0.319 0.000 2.626 997 D HA 0.362 5.017 4.640 0.025 0.000 0.278 997 D C -0.823 174.930 176.300 -0.911 0.000 1.211 997 D CA -0.751 52.624 54.000 -1.042 0.000 0.903 997 D CB 1.002 40.697 40.800 -1.841 0.000 1.408 997 D HN -0.311 nan 8.370 nan 0.000 0.454 998 S N -0.605 114.367 115.700 -1.214 0.000 2.711 998 S HA 0.249 4.734 4.470 0.025 0.000 0.247 998 S C -0.716 173.845 174.600 -0.064 0.000 1.079 998 S CA -0.691 57.289 58.200 -0.367 0.000 1.050 998 S CB -0.465 62.755 63.200 0.034 0.000 0.885 998 S HN 0.621 nan 8.310 nan 0.000 0.498 999 W N 0.700 121.932 121.300 -0.113 0.000 2.079 999 W HA 0.513 5.188 4.660 0.024 0.000 0.285 999 W C 0.032 176.499 176.519 -0.087 0.000 0.891 999 W CA -0.366 56.914 57.345 -0.107 0.000 1.308 999 W CB -0.500 28.819 29.460 -0.235 0.000 1.047 999 W HN 0.191 nan 8.180 nan 0.000 0.522 1000 S N -0.894 114.674 115.700 -0.220 0.000 2.579 1000 S HA 0.654 5.139 4.470 0.025 0.000 0.272 1000 S C -3.112 171.418 174.600 -0.116 0.000 1.141 1000 S CA -1.679 56.458 58.200 -0.105 0.000 0.843 1000 S CB 1.831 65.005 63.200 -0.043 0.000 1.122 1000 S HN -0.239 nan 8.310 nan 0.000 0.468 1001 P HA 0.188 nan 4.420 nan 0.000 0.263 1001 P C 0.269 177.609 177.300 0.066 0.000 1.195 1001 P CA 0.046 63.154 63.100 0.014 0.000 0.762 1001 P CB 0.651 32.240 31.700 -0.184 0.000 0.799 1002 S N 0.651 116.428 115.700 0.129 0.000 2.937 1002 S HA 0.157 4.642 4.470 0.025 0.000 0.252 1002 S C 0.074 174.755 174.600 0.135 0.000 1.022 1002 S CA -0.369 57.880 58.200 0.082 0.000 1.079 1002 S CB -0.361 62.832 63.200 -0.011 0.000 1.035 1002 S HN 0.095 nan 8.310 nan 0.000 0.594 1003 V N 2.658 122.701 119.914 0.215 0.000 2.455 1003 V HA 0.391 4.526 4.120 0.025 0.000 0.273 1003 V C 0.834 177.080 176.094 0.252 0.000 1.045 1003 V CA -0.246 62.165 62.300 0.185 0.000 0.976 1003 V CB 1.097 32.972 31.823 0.087 0.000 0.993 1003 V HN 0.538 nan 8.190 nan 0.000 0.475 1004 S N 3.850 119.713 115.700 0.272 0.000 2.568 1004 S HA 0.297 4.782 4.470 0.025 0.000 0.282 1004 S C 1.535 176.278 174.600 0.238 0.000 1.338 1004 S CA 0.073 58.425 58.200 0.254 0.000 1.045 1004 S CB 1.151 64.535 63.200 0.307 0.000 0.873 1004 S HN 0.990 nan 8.310 nan 0.000 0.516 1005 A N 3.326 126.241 122.820 0.158 0.000 1.948 1005 A HA -0.154 4.181 4.320 0.025 0.000 0.220 1005 A C 1.997 179.616 177.584 0.059 0.000 1.177 1005 A CA 1.878 53.996 52.037 0.134 0.000 0.636 1005 A CB -0.628 18.427 19.000 0.093 0.000 0.815 1005 A HN 0.947 nan 8.150 nan 0.000 0.449 1006 E N -1.119 119.051 120.200 -0.050 0.000 2.418 1006 E HA -0.110 4.255 4.350 0.025 0.000 0.197 1006 E C 0.511 176.863 176.600 -0.414 0.000 1.026 1006 E CA 0.689 56.934 56.400 -0.258 0.000 0.862 1006 E CB -0.378 29.083 29.700 -0.399 0.000 0.799 1006 E HN 0.621 nan 8.360 nan 0.000 0.518 1007 F N 1.259 121.261 119.950 0.087 0.000 2.654 1007 F HA 0.303 4.845 4.527 0.024 0.000 0.303 1007 F C 0.734 176.573 175.800 0.065 0.000 1.099 1007 F CA -0.403 57.648 58.000 0.084 0.000 1.270 1007 F CB 0.439 39.486 39.000 0.080 0.000 1.024 1007 F HN -0.174 nan 8.300 nan 0.000 0.548 1008 Q N 0.932 120.851 119.800 0.197 0.000 2.230 1008 Q HA 0.432 4.787 4.340 0.025 0.000 0.248 1008 Q C -0.185 175.858 176.000 0.072 0.000 0.915 1008 Q CA -0.522 55.372 55.803 0.152 0.000 0.900 1008 Q CB 1.899 30.814 28.738 0.295 0.000 1.229 1008 Q HN 0.203 nan 8.270 nan 0.000 0.439 1009 L N 2.428 123.676 121.223 0.042 0.000 2.399 1009 L HA 0.116 4.471 4.340 0.025 0.000 0.257 1009 L C 0.662 177.503 176.870 -0.049 0.000 1.236 1009 L CA -0.054 54.796 54.840 0.016 0.000 1.144 1009 L CB -0.282 41.682 42.059 -0.159 0.000 1.379 1009 L HN 0.702 nan 8.230 nan 0.000 0.414 1010 S N -1.056 114.524 115.700 -0.201 0.000 2.539 1010 S HA 0.132 4.617 4.470 0.025 0.000 0.221 1010 S C 1.641 176.153 174.600 -0.147 0.000 0.987 1010 S CA 0.195 58.087 58.200 -0.513 0.000 0.929 1010 S CB 0.693 63.496 63.200 -0.661 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.382 124.152 122.820 -0.083 0.000 2.121 1011 A HA 0.468 4.803 4.320 0.025 0.000 0.218 1011 A C 2.070 179.496 177.584 -0.263 0.000 1.154 1011 A CA 1.147 53.014 52.037 -0.283 0.000 0.679 1011 A CB -1.235 17.376 19.000 -0.648 0.000 0.795 1011 A HN 1.433 nan 8.150 nan 0.000 0.458 1012 G N -1.165 107.577 108.800 -0.096 0.000 2.900 1012 G HA2 -0.295 3.680 3.960 0.025 0.000 0.223 1012 G HA3 -0.295 3.680 3.960 0.025 0.000 0.223 1012 G C 0.459 175.333 174.900 -0.043 0.000 1.293 1012 G CA 0.393 45.486 45.100 -0.012 0.000 0.792 1012 G HN 0.680 nan 8.290 nan 0.000 0.527 1013 R N -0.428 119.933 120.500 -0.231 0.000 2.561 1013 R HA 0.684 5.039 4.340 0.025 0.000 0.297 1013 R C -1.567 174.476 176.300 -0.428 0.000 0.969 1013 R CA -0.593 55.417 56.100 -0.151 0.000 0.879 1013 R CB 1.574 31.823 30.300 -0.084 0.000 1.178 1013 R HN 0.250 nan 8.270 nan 0.000 0.445 1014 Y N 0.356 120.635 120.300 -0.035 0.000 2.477 1014 Y HA 0.333 4.898 4.550 0.025 0.000 0.347 1014 Y C -0.422 175.592 175.900 0.191 0.000 0.981 1014 Y CA -0.807 57.227 58.100 -0.109 0.000 1.033 1014 Y CB 2.117 40.380 38.460 -0.328 0.000 1.245 1014 Y HN 0.584 nan 8.280 nan 0.000 0.455 1015 H N 2.792 122.107 119.070 0.407 0.000 2.679 1015 H HA 0.608 5.178 4.556 0.025 0.000 0.360 1015 H C -1.765 173.949 175.328 0.644 0.000 1.105 1015 H CA -0.874 55.410 56.048 0.393 0.000 1.196 1015 H CB 1.121 31.017 29.762 0.224 0.000 1.636 1015 H HN 0.542 nan 8.280 nan 0.000 0.531 1016 Y N 1.599 121.735 120.300 -0.273 0.000 2.597 1016 Y HA 0.490 5.055 4.550 0.025 0.000 0.340 1016 Y C -1.934 173.777 175.900 -0.315 0.000 1.097 1016 Y CA -1.138 56.863 58.100 -0.164 0.000 1.037 1016 Y CB 1.359 39.817 38.460 -0.004 0.000 1.305 1016 Y HN 0.767 nan 8.280 nan 0.000 0.463 1017 Q N 2.686 122.493 119.800 0.012 0.000 2.340 1017 Q HA 0.808 5.163 4.340 0.025 0.000 0.276 1017 Q C -2.197 173.894 176.000 0.153 0.000 1.048 1017 Q CA -1.043 54.750 55.803 -0.016 0.000 0.832 1017 Q CB 3.236 32.000 28.738 0.042 0.000 1.373 1017 Q HN 0.858 nan 8.270 nan 0.000 0.409 1018 L N 1.112 122.410 121.223 0.126 0.000 2.424 1018 L HA 0.734 5.089 4.340 0.025 0.000 0.258 1018 L C -1.044 175.948 176.870 0.203 0.000 0.995 1018 L CA -1.320 53.636 54.840 0.195 0.000 0.821 1018 L CB 2.716 44.867 42.059 0.152 0.000 1.383 1018 L HN 0.492 nan 8.230 nan 0.000 0.410 1019 V N 0.787 120.847 119.914 0.243 0.000 2.448 1019 V HA 0.395 4.529 4.120 0.025 0.000 0.295 1019 V C -1.243 175.037 176.094 0.310 0.000 1.025 1019 V CA -0.420 62.029 62.300 0.249 0.000 0.859 1019 V CB 2.112 34.053 31.823 0.197 0.000 0.988 1019 V HN 0.600 nan 8.190 nan 0.000 0.431 1020 W N 7.123 128.492 121.300 0.115 0.000 2.376 1020 W HA 0.704 5.379 4.660 0.025 0.000 0.312 1020 W C -0.233 176.288 176.519 0.003 0.000 1.060 1020 W CA -1.209 56.120 57.345 -0.026 0.000 1.221 1020 W CB 1.329 30.840 29.460 0.084 0.000 1.281 1020 W HN 0.854 nan 8.180 nan 0.000 0.456 1021 C N 4.140 123.673 119.300 0.388 0.000 3.285 1021 C HA 0.717 5.192 4.460 0.025 0.000 0.320 1021 C C -0.491 174.614 174.990 0.193 0.000 1.411 1021 C CA -0.866 58.309 59.018 0.261 0.000 1.429 1021 C CB 1.716 29.556 27.740 0.165 0.000 1.812 1021 C HN 0.713 nan 8.230 nan 0.000 0.454 1022 Q N 1.128 120.996 119.800 0.113 0.000 2.226 1022 Q HA 0.563 4.918 4.340 0.025 0.000 0.256 1022 Q C -0.777 175.221 176.000 -0.003 0.000 0.962 1022 Q CA -0.305 55.514 55.803 0.026 0.000 0.887 1022 Q CB 1.508 30.231 28.738 -0.026 0.000 1.282 1022 Q HN 0.792 nan 8.270 nan 0.000 0.449 1023 K N 0.000 120.370 120.400 -0.050 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.025 0.000 0.191 1023 K CA 0.000 56.260 56.287 -0.044 0.000 0.838 1023 K CB 0.000 32.467 32.500 -0.056 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543