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 3e1f_1_1 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 ANIETEGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.123 176.300 -0.296 0.000 0.893 13 R CA 0.000 55.988 56.100 -0.187 0.000 0.921 13 R CB 0.000 30.197 30.300 -0.171 0.000 0.687 14 R N 1.612 121.836 120.500 -0.461 0.000 2.763 14 R HA -0.089 4.251 4.340 -0.000 0.000 0.348 14 R C -0.114 175.727 176.300 -0.765 0.000 0.826 14 R CA 0.413 55.905 56.100 -1.014 0.000 1.109 14 R CB 0.209 29.855 30.300 -1.090 0.000 0.889 14 R HN 0.382 nan 8.270 nan 0.000 0.402 15 D N 2.340 122.384 120.400 -0.593 0.000 2.333 15 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 15 D C 1.314 177.518 176.300 -0.159 0.000 0.984 15 D CA 0.679 54.442 54.000 -0.395 0.000 0.873 15 D CB 0.126 40.529 40.800 -0.662 0.000 0.935 15 D HN 0.729 nan 8.370 nan 0.000 0.521 16 W N 1.550 122.844 121.300 -0.010 0.000 3.180 16 W HA 0.227 4.888 4.660 0.001 0.000 0.254 16 W C 0.558 177.160 176.519 0.139 0.000 1.318 16 W CA -0.157 57.291 57.345 0.173 0.000 1.608 16 W CB -0.130 29.466 29.460 0.227 0.000 1.124 16 W HN -0.214 nan 8.180 nan 0.000 0.694 17 E N 1.027 121.099 120.200 -0.213 0.000 2.995 17 E HA 0.043 4.393 4.350 -0.000 0.000 0.203 17 E C -0.774 175.680 176.600 -0.244 0.000 0.980 17 E CA -0.210 56.089 56.400 -0.168 0.000 1.172 17 E CB -0.141 29.434 29.700 -0.210 0.000 1.088 17 E HN 0.072 nan 8.360 nan 0.000 0.463 18 N N 1.233 119.822 118.700 -0.184 0.000 2.581 18 N HA 0.125 4.865 4.740 -0.000 0.000 0.279 18 N C -2.244 173.129 175.510 -0.228 0.000 1.124 18 N CA -1.920 50.989 53.050 -0.235 0.000 0.833 18 N CB 1.445 39.807 38.487 -0.208 0.000 1.338 18 N HN -0.201 nan 8.380 nan 0.000 0.533 19 P HA 0.037 nan 4.420 nan 0.000 0.236 19 P C 0.942 178.003 177.300 -0.400 0.000 1.172 19 P CA 0.585 63.353 63.100 -0.553 0.000 0.759 19 P CB 0.144 30.992 31.700 -1.420 0.000 0.843 20 G N -0.249 108.368 108.800 -0.304 0.000 2.551 20 G HA2 0.049 4.008 3.960 -0.000 0.000 0.216 20 G HA3 0.049 4.008 3.960 -0.000 0.000 0.216 20 G C 0.403 175.232 174.900 -0.117 0.000 1.137 20 G CA 0.153 45.127 45.100 -0.210 0.000 0.798 20 G HN 0.206 nan 8.290 nan 0.000 0.536 21 V N 1.841 121.708 119.914 -0.079 0.000 2.313 21 V HA 0.330 4.450 4.120 -0.000 0.000 0.278 21 V C 0.813 176.973 176.094 0.110 0.000 1.017 21 V CA 0.183 62.494 62.300 0.018 0.000 0.823 21 V CB 1.250 33.081 31.823 0.012 0.000 1.010 21 V HN 0.335 nan 8.190 nan 0.000 0.443 22 T N 0.686 115.290 114.554 0.082 0.000 3.044 22 T HA 0.383 4.733 4.350 -0.000 0.000 0.260 22 T C 0.204 174.908 174.700 0.006 0.000 1.019 22 T CA -0.025 62.110 62.100 0.058 0.000 0.921 22 T CB 0.341 69.207 68.868 -0.004 0.000 1.053 22 T HN 0.685 nan 8.240 nan 0.000 0.533 23 Q N 0.346 120.205 119.800 0.099 0.000 2.776 23 Q HA 0.664 5.004 4.340 -0.000 0.000 0.289 23 Q C -2.365 173.754 176.000 0.198 0.000 0.912 23 Q CA -1.038 54.806 55.803 0.069 0.000 0.789 23 Q CB 0.738 29.455 28.738 -0.035 0.000 1.498 23 Q HN 0.211 nan 8.270 nan 0.000 0.408 24 L N 1.918 123.280 121.223 0.232 0.000 2.596 24 L HA 0.560 4.900 4.340 -0.000 0.000 0.265 24 L C -0.741 176.257 176.870 0.212 0.000 0.962 24 L CA -0.693 54.307 54.840 0.266 0.000 0.891 24 L CB 1.762 44.096 42.059 0.459 0.000 1.248 24 L HN 0.855 nan 8.230 nan 0.000 0.410 25 N N 0.944 119.729 118.700 0.142 0.000 2.850 25 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 25 N C 0.215 175.751 175.510 0.042 0.000 1.060 25 N CA 0.781 53.897 53.050 0.110 0.000 0.825 25 N CB -0.640 37.896 38.487 0.081 0.000 1.132 25 N HN 0.652 nan 8.380 nan 0.000 0.564 26 R N 1.099 121.528 120.500 -0.118 0.000 2.390 26 R HA 0.390 4.730 4.340 -0.000 0.000 0.291 26 R C 0.633 176.741 176.300 -0.321 0.000 1.070 26 R CA -0.339 55.429 56.100 -0.552 0.000 1.014 26 R CB 0.563 30.566 30.300 -0.495 0.000 1.007 26 R HN 0.111 nan 8.270 nan 0.000 0.466 27 L N 2.764 123.779 121.223 -0.347 0.000 2.475 27 L HA 0.306 4.646 4.340 -0.000 0.000 0.253 27 L C 0.659 177.461 176.870 -0.114 0.000 1.198 27 L CA -0.648 54.104 54.840 -0.146 0.000 0.814 27 L CB 0.583 42.597 42.059 -0.074 0.000 1.134 27 L HN 0.734 nan 8.230 nan 0.000 0.478 28 A N 1.018 123.824 122.820 -0.024 0.000 2.462 28 A HA 0.497 4.817 4.320 -0.000 0.000 0.243 28 A C 0.365 177.933 177.584 -0.027 0.000 1.076 28 A CA -0.053 51.979 52.037 -0.010 0.000 0.773 28 A CB 0.203 19.229 19.000 0.043 0.000 1.010 28 A HN 0.796 nan 8.150 nan 0.000 0.493 29 A N 1.681 124.434 122.820 -0.112 0.000 2.386 29 A HA 0.633 4.953 4.320 -0.000 0.000 0.246 29 A C 0.193 177.645 177.584 -0.221 0.000 1.089 29 A CA 0.745 52.627 52.037 -0.259 0.000 0.790 29 A CB -0.137 18.746 19.000 -0.195 0.000 1.042 29 A HN 2.107 nan 8.150 nan 0.000 0.497 30 H N -3.266 115.664 119.070 -0.232 0.000 2.951 30 H HA 0.543 5.099 4.556 -0.000 0.000 0.292 30 H C -3.475 171.551 175.328 -0.503 0.000 1.412 30 H CA -1.688 54.149 56.048 -0.352 0.000 1.206 30 H CB -0.305 29.191 29.762 -0.444 0.000 1.862 30 H HN 0.378 nan 8.280 nan 0.000 0.502 31 P HA 0.153 nan 4.420 nan 0.000 0.270 31 P C -2.525 174.559 177.300 -0.359 0.000 1.227 31 P CA -0.935 61.939 63.100 -0.376 0.000 0.788 31 P CB -0.186 31.160 31.700 -0.589 0.000 0.926 32 P HA 0.036 nan 4.420 nan 0.000 0.263 32 P C -0.835 176.589 177.300 0.206 0.000 1.195 32 P CA 1.013 64.110 63.100 -0.006 0.000 0.762 32 P CB -0.040 31.706 31.700 0.076 0.000 0.799 33 F N 1.964 121.988 119.950 0.123 0.000 2.541 33 F HA 0.657 5.184 4.527 -0.000 0.000 0.331 33 F C 1.044 176.758 175.800 -0.144 0.000 1.057 33 F CA -1.266 56.745 58.000 0.018 0.000 0.975 33 F CB 1.146 40.120 39.000 -0.043 0.000 1.246 33 F HN 0.295 nan 8.300 nan 0.000 0.484 34 A N -0.189 122.550 122.820 -0.136 0.000 2.644 34 A HA 0.319 4.639 4.320 -0.000 0.000 0.193 34 A C 0.586 177.861 177.584 -0.514 0.000 1.464 34 A CA 0.620 52.344 52.037 -0.522 0.000 1.095 34 A CB -0.433 17.788 19.000 -1.299 0.000 1.405 34 A HN 0.940 nan 8.150 nan 0.000 0.558 35 S N 0.439 115.939 115.700 -0.332 0.000 3.524 35 S HA -0.150 4.320 4.470 -0.000 0.000 0.377 35 S C -0.054 174.456 174.600 -0.150 0.000 0.949 35 S CA 0.480 58.549 58.200 -0.218 0.000 1.264 35 S CB -1.623 61.462 63.200 -0.191 0.000 0.918 35 S HN 0.460 nan 8.310 nan 0.000 0.517 36 W N 2.049 123.320 121.300 -0.047 0.000 2.158 36 W HA 0.281 4.941 4.660 0.000 0.000 0.339 36 W C 1.368 177.856 176.519 -0.051 0.000 1.294 36 W CA -0.622 56.700 57.345 -0.039 0.000 1.231 36 W CB 0.305 29.743 29.460 -0.037 0.000 1.143 36 W HN 0.370 nan 8.180 nan 0.000 0.571 37 R N 1.528 122.144 120.500 0.194 0.000 2.509 37 R HA 0.080 4.420 4.340 -0.000 0.000 0.300 37 R C -0.209 176.137 176.300 0.076 0.000 0.985 37 R CA -0.082 56.072 56.100 0.089 0.000 1.092 37 R CB -0.125 30.195 30.300 0.034 0.000 1.237 37 R HN 0.478 nan 8.270 nan 0.000 0.546 38 N N -0.126 118.634 118.700 0.100 0.000 2.500 38 N HA 0.087 4.827 4.740 -0.000 0.000 0.291 38 N C -0.147 175.323 175.510 -0.067 0.000 1.092 38 N CA 0.016 53.074 53.050 0.014 0.000 0.890 38 N CB 1.431 39.922 38.487 0.007 0.000 1.466 38 N HN -0.263 nan 8.380 nan 0.000 0.507 39 S N 2.002 117.649 115.700 -0.089 0.000 2.400 39 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 39 S C 1.449 175.873 174.600 -0.295 0.000 1.025 39 S CA 1.202 59.305 58.200 -0.162 0.000 0.993 39 S CB -0.133 63.003 63.200 -0.107 0.000 0.808 39 S HN 0.718 nan 8.310 nan 0.000 0.478 40 E N 1.525 121.569 120.200 -0.259 0.000 2.106 40 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 40 E C 1.926 178.296 176.600 -0.384 0.000 0.984 40 E CA 1.069 57.279 56.400 -0.316 0.000 0.806 40 E CB -0.163 29.409 29.700 -0.213 0.000 0.750 40 E HN 0.302 nan 8.360 nan 0.000 0.458 41 E N 0.101 120.076 120.200 -0.375 0.000 2.106 41 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 41 E C 1.945 177.893 176.600 -1.086 0.000 0.984 41 E CA 1.062 57.171 56.400 -0.485 0.000 0.806 41 E CB -0.427 29.130 29.700 -0.239 0.000 0.750 41 E HN 0.360 nan 8.360 nan 0.000 0.458 42 A N 1.590 123.610 122.820 -1.334 0.000 1.858 42 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 42 A C 2.251 179.248 177.584 -0.979 0.000 1.190 42 A CA 1.699 52.693 52.037 -1.738 0.000 0.617 42 A CB -0.536 17.978 19.000 -0.810 0.000 0.827 42 A HN 0.143 nan 8.150 nan 0.000 0.443 43 R N -0.246 119.852 120.500 -0.669 0.000 2.091 43 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 43 R C 1.970 178.009 176.300 -0.435 0.000 1.136 43 R CA 2.113 57.875 56.100 -0.564 0.000 0.959 43 R CB -0.482 29.334 30.300 -0.807 0.000 0.856 43 R HN 0.637 nan 8.270 nan 0.000 0.437 44 T N -2.562 111.738 114.554 -0.424 0.000 3.129 44 T HA 0.011 4.361 4.350 -0.000 0.000 0.251 44 T C 0.273 174.858 174.700 -0.190 0.000 1.117 44 T CA 0.523 62.464 62.100 -0.265 0.000 1.034 44 T CB -0.068 68.667 68.868 -0.221 0.000 0.968 44 T HN 0.391 nan 8.240 nan 0.000 0.526 45 D N 1.059 121.290 120.400 -0.283 0.000 2.708 45 D HA -0.175 4.465 4.640 -0.000 0.000 0.236 45 D C -0.111 176.265 176.300 0.127 0.000 1.146 45 D CA 0.500 54.468 54.000 -0.053 0.000 0.662 45 D CB -0.939 39.902 40.800 0.067 0.000 1.059 45 D HN 0.592 nan 8.370 nan 0.000 0.428 46 R N 0.093 120.637 120.500 0.072 0.000 2.532 46 R HA 0.504 4.844 4.340 -0.000 0.000 0.272 46 R C -2.088 174.460 176.300 0.415 0.000 1.032 46 R CA -1.676 54.530 56.100 0.176 0.000 1.089 46 R CB 0.389 30.730 30.300 0.068 0.000 1.098 46 R HN 0.079 nan 8.270 nan 0.000 0.526 47 P HA -0.127 nan 4.420 nan 0.000 0.268 47 P C -0.698 176.782 177.300 0.300 0.000 1.189 47 P CA 0.553 63.801 63.100 0.248 0.000 0.771 47 P CB 0.512 32.306 31.700 0.156 0.000 0.822 48 S N 1.069 116.832 115.700 0.105 0.000 2.473 48 S HA 0.147 4.617 4.470 -0.000 0.000 0.307 48 S C 0.885 175.504 174.600 0.031 0.000 1.094 48 S CA -0.577 57.609 58.200 -0.024 0.000 1.070 48 S CB 0.580 63.474 63.200 -0.510 0.000 1.019 48 S HN 0.230 nan 8.310 nan 0.000 0.480 49 Q N 2.669 122.515 119.800 0.077 0.000 2.226 49 Q HA -0.063 4.277 4.340 -0.000 0.000 0.204 49 Q C 0.900 176.998 176.000 0.164 0.000 0.975 49 Q CA 1.383 57.258 55.803 0.120 0.000 0.866 49 Q CB -0.168 28.635 28.738 0.108 0.000 0.915 49 Q HN 0.701 nan 8.270 nan 0.000 0.440 50 Q N -0.164 119.646 119.800 0.018 0.000 2.365 50 Q HA 0.112 4.452 4.340 -0.000 0.000 0.203 50 Q C -0.333 175.695 176.000 0.047 0.000 0.929 50 Q CA 0.143 55.893 55.803 -0.089 0.000 0.948 50 Q CB 0.299 28.899 28.738 -0.230 0.000 1.043 50 Q HN -0.001 nan 8.270 nan 0.000 0.505 51 L N 0.601 121.895 121.223 0.118 0.000 2.454 51 L HA 0.414 4.754 4.340 -0.000 0.000 0.258 51 L C -1.140 175.820 176.870 0.149 0.000 1.025 51 L CA -0.404 54.506 54.840 0.116 0.000 0.901 51 L CB 0.734 42.773 42.059 -0.033 0.000 1.210 51 L HN -0.104 nan 8.230 nan 0.000 0.457 52 R N 1.431 122.061 120.500 0.217 0.000 2.500 52 R HA 0.622 4.962 4.340 -0.000 0.000 0.277 52 R C -0.249 176.074 176.300 0.039 0.000 1.026 52 R CA -0.416 55.745 56.100 0.101 0.000 1.058 52 R CB 1.621 31.936 30.300 0.024 0.000 1.078 52 R HN 0.594 nan 8.270 nan 0.000 0.509 53 S N 1.966 117.675 115.700 0.016 0.000 2.462 53 S HA 0.296 4.766 4.470 -0.000 0.000 0.294 53 S C 0.437 175.029 174.600 -0.014 0.000 1.144 53 S CA -0.739 57.461 58.200 0.001 0.000 1.088 53 S CB 0.585 63.798 63.200 0.023 0.000 1.009 53 S HN 0.543 nan 8.310 nan 0.000 0.484 54 L N 3.706 124.915 121.223 -0.024 0.000 2.791 54 L HA 0.292 4.632 4.340 -0.000 0.000 0.239 54 L C 0.004 177.021 176.870 0.246 0.000 1.203 54 L CA -0.310 54.533 54.840 0.005 0.000 1.002 54 L CB -0.629 41.367 42.059 -0.105 0.000 1.295 54 L HN 0.530 nan 8.230 nan 0.000 0.504 55 N N 0.711 119.505 118.700 0.157 0.000 2.482 55 N HA 0.568 5.308 4.740 -0.000 0.000 0.260 55 N C 0.642 176.294 175.510 0.237 0.000 1.236 55 N CA 0.910 54.067 53.050 0.179 0.000 0.938 55 N CB 1.204 39.726 38.487 0.058 0.000 1.128 55 N HN 0.251 nan 8.380 nan 0.000 0.448 56 G N 0.010 108.966 108.800 0.260 0.000 2.292 56 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.194 56 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.194 56 G C -1.567 173.542 174.900 0.349 0.000 1.329 56 G CA -0.784 44.461 45.100 0.241 0.000 1.100 56 G HN 0.478 nan 8.290 nan 0.000 0.470 57 E N 0.054 120.441 120.200 0.313 0.000 2.200 57 E HA 0.498 4.848 4.350 -0.000 0.000 0.283 57 E C -1.055 175.815 176.600 0.450 0.000 1.015 57 E CA -0.284 56.310 56.400 0.324 0.000 0.819 57 E CB 1.323 31.131 29.700 0.179 0.000 1.081 57 E HN 0.355 nan 8.360 nan 0.000 0.397 58 W N 1.415 122.810 121.300 0.158 0.000 2.894 58 W HA 0.407 5.066 4.660 -0.001 0.000 0.345 58 W C 0.040 176.693 176.519 0.224 0.000 1.152 58 W CA -0.767 56.705 57.345 0.210 0.000 1.089 58 W CB 0.784 30.424 29.460 0.301 0.000 1.454 58 W HN 0.159 nan 8.180 nan 0.000 0.589 59 R N 1.656 122.453 120.500 0.494 0.000 2.294 59 R HA 0.510 4.850 4.340 -0.000 0.000 0.319 59 R C -1.461 175.092 176.300 0.422 0.000 0.984 59 R CA -0.797 55.522 56.100 0.364 0.000 0.861 59 R CB 0.933 31.395 30.300 0.270 0.000 1.104 59 R HN 0.426 nan 8.270 nan 0.000 0.451 60 F N 0.949 120.944 119.950 0.075 0.000 2.565 60 F HA 0.680 5.207 4.527 -0.001 0.000 0.313 60 F C -1.376 174.268 175.800 -0.261 0.000 1.091 60 F CA -0.750 57.150 58.000 -0.167 0.000 0.915 60 F CB 2.044 40.833 39.000 -0.352 0.000 1.208 60 F HN 0.601 nan 8.300 nan 0.000 0.453 61 A N 4.665 126.638 122.820 -1.412 0.000 2.459 61 A HA 0.513 4.833 4.320 -0.000 0.000 0.296 61 A C -2.289 174.363 177.584 -1.553 0.000 1.039 61 A CA -0.519 50.826 52.037 -1.154 0.000 0.698 61 A CB 0.512 19.178 19.000 -0.556 0.000 1.261 61 A HN 0.953 nan 8.150 nan 0.000 0.405 62 W N 2.452 122.869 121.300 -1.472 0.000 2.381 62 W HA 0.747 5.408 4.660 0.000 0.000 0.329 62 W C -1.567 174.342 176.519 -1.018 0.000 1.157 62 W CA -0.101 56.573 57.345 -1.118 0.000 1.240 62 W CB 0.933 29.967 29.460 -0.711 0.000 1.199 62 W HN 0.503 nan 8.180 nan 0.000 0.579 63 F N 5.129 124.364 119.950 -1.191 0.000 2.613 63 F HA 0.317 4.844 4.527 0.001 0.000 0.310 63 F C -1.294 173.610 175.800 -1.494 0.000 1.085 63 F CA -1.965 55.488 58.000 -0.912 0.000 0.945 63 F CB 2.059 40.658 39.000 -0.668 0.000 1.298 63 F HN 0.210 nan 8.300 nan 0.000 0.455 64 P HA 0.114 nan 4.420 nan 0.000 0.229 64 P C -0.324 176.863 177.300 -0.189 0.000 1.160 64 P CA 0.898 63.825 63.100 -0.289 0.000 0.777 64 P CB 0.885 32.650 31.700 0.109 0.000 0.814 65 A N -0.402 122.299 122.820 -0.198 0.000 2.597 65 A HA 0.482 4.802 4.320 -0.000 0.000 0.292 65 A C -2.444 175.020 177.584 -0.201 0.000 1.057 65 A CA -0.932 51.023 52.037 -0.137 0.000 0.674 65 A CB 0.375 19.365 19.000 -0.016 0.000 1.278 65 A HN -0.271 nan 8.150 nan 0.000 0.416 66 P HA -0.149 nan 4.420 nan 0.000 0.218 66 P C 0.596 177.785 177.300 -0.186 0.000 1.148 66 P CA 1.567 64.511 63.100 -0.260 0.000 0.822 66 P CB 0.185 31.690 31.700 -0.325 0.000 0.784 67 E N 0.109 120.264 120.200 -0.074 0.000 2.463 67 E HA -0.026 4.324 4.350 -0.000 0.000 0.201 67 E C 1.881 178.424 176.600 -0.096 0.000 1.045 67 E CA 1.012 57.387 56.400 -0.041 0.000 0.872 67 E CB -0.722 28.994 29.700 0.027 0.000 0.797 67 E HN 0.307 nan 8.360 nan 0.000 0.538 68 A N 0.158 122.881 122.820 -0.162 0.000 2.348 68 A HA 0.143 4.463 4.320 -0.000 0.000 0.224 68 A C 0.613 177.936 177.584 -0.434 0.000 1.227 68 A CA -0.280 51.670 52.037 -0.145 0.000 0.885 68 A CB 0.503 19.521 19.000 0.030 0.000 0.933 68 A HN 0.055 nan 8.150 nan 0.000 0.506 69 V N 3.957 123.464 119.914 -0.678 0.000 2.415 69 V HA 0.163 4.282 4.120 -0.000 0.000 0.267 69 V C -1.940 173.850 176.094 -0.506 0.000 1.042 69 V CA -1.342 60.346 62.300 -1.020 0.000 1.000 69 V CB 0.284 31.565 31.823 -0.903 0.000 1.015 69 V HN 0.406 nan 8.190 nan 0.000 0.478 70 P HA 0.069 nan 4.420 nan 0.000 0.267 70 P C 0.656 177.908 177.300 -0.079 0.000 1.205 70 P CA -0.056 62.956 63.100 -0.147 0.000 0.765 70 P CB 1.238 32.906 31.700 -0.054 0.000 0.828 71 E N 4.203 124.362 120.200 -0.068 0.000 2.086 71 E HA -0.281 4.069 4.350 -0.000 0.000 0.200 71 E C 1.709 178.285 176.600 -0.041 0.000 1.012 71 E CA 2.600 58.960 56.400 -0.066 0.000 0.812 71 E CB -1.125 28.538 29.700 -0.061 0.000 0.743 71 E HN 0.454 nan 8.360 nan 0.000 0.453 72 S N -0.418 115.276 115.700 -0.011 0.000 2.389 72 S HA -0.292 4.178 4.470 -0.000 0.000 0.231 72 S C 1.907 176.517 174.600 0.016 0.000 1.052 72 S CA 1.384 59.584 58.200 0.001 0.000 1.053 72 S CB -1.539 61.676 63.200 0.024 0.000 0.886 72 S HN 0.634 nan 8.310 nan 0.000 0.456 73 W N 2.420 123.635 121.300 -0.142 0.000 2.308 73 W HA -0.092 4.568 4.660 -0.001 0.000 0.301 73 W C 1.868 178.283 176.519 -0.174 0.000 1.220 73 W CA 1.379 58.637 57.345 -0.145 0.000 1.240 73 W CB -0.552 28.792 29.460 -0.194 0.000 1.142 73 W HN 0.305 nan 8.180 nan 0.000 0.521 74 L N -0.071 120.932 121.223 -0.367 0.000 2.127 74 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 74 L C 2.063 178.679 176.870 -0.423 0.000 1.089 74 L CA 1.894 56.356 54.840 -0.629 0.000 0.757 74 L CB -0.568 41.150 42.059 -0.568 0.000 0.899 74 L HN 0.095 nan 8.230 nan 0.000 0.434 75 E N -2.506 117.540 120.200 -0.256 0.000 2.421 75 E HA 0.062 4.411 4.350 -0.000 0.000 0.209 75 E C 0.103 176.625 176.600 -0.130 0.000 0.871 75 E CA -0.135 56.169 56.400 -0.160 0.000 1.064 75 E CB 0.956 30.599 29.700 -0.095 0.000 1.075 75 E HN 0.264 nan 8.360 nan 0.000 0.513 76 C N 1.761 120.994 119.300 -0.112 0.000 2.441 76 C HA 0.322 4.782 4.460 -0.000 0.000 0.318 76 C C -0.583 174.392 174.990 -0.025 0.000 1.222 76 C CA -0.974 58.010 59.018 -0.058 0.000 1.474 76 C CB 0.551 28.277 27.740 -0.023 0.000 2.125 76 C HN 0.271 nan 8.230 nan 0.000 0.479 77 D N 3.481 123.878 120.400 -0.005 0.000 2.488 77 D HA 0.182 4.822 4.640 -0.000 0.000 0.238 77 D C -0.151 176.218 176.300 0.115 0.000 1.138 77 D CA 0.423 54.462 54.000 0.065 0.000 0.873 77 D CB 0.652 41.485 40.800 0.055 0.000 1.183 77 D HN 0.567 nan 8.370 nan 0.000 0.458 78 L N 5.604 126.948 121.223 0.202 0.000 2.367 78 L HA 0.209 4.549 4.340 -0.000 0.000 0.275 78 L C -1.394 175.533 176.870 0.095 0.000 1.129 78 L CA -1.474 53.459 54.840 0.154 0.000 0.839 78 L CB 1.013 43.180 42.059 0.180 0.000 1.133 78 L HN 0.507 nan 8.230 nan 0.000 0.453 79 P HA -0.123 nan 4.420 nan 0.000 0.222 79 P C 1.070 178.390 177.300 0.032 0.000 1.153 79 P CA 0.656 63.782 63.100 0.044 0.000 0.798 79 P CB 0.183 31.903 31.700 0.033 0.000 0.796 80 E N -0.111 120.101 120.200 0.021 0.000 2.409 80 E HA -0.005 4.345 4.350 -0.000 0.000 0.198 80 E C 0.769 177.355 176.600 -0.024 0.000 1.024 80 E CA 0.088 56.482 56.400 -0.009 0.000 0.861 80 E CB -0.540 29.140 29.700 -0.032 0.000 0.788 80 E HN 0.068 nan 8.360 nan 0.000 0.521 81 A N 1.276 124.095 122.820 -0.001 0.000 2.366 81 A HA 0.189 4.509 4.320 -0.000 0.000 0.250 81 A C -0.540 177.070 177.584 0.044 0.000 1.099 81 A CA -0.045 51.987 52.037 -0.007 0.000 0.794 81 A CB 0.335 19.367 19.000 0.054 0.000 1.056 81 A HN 0.184 nan 8.150 nan 0.000 0.499 82 D N -1.309 119.140 120.400 0.081 0.000 2.423 82 D HA 0.573 5.213 4.640 -0.000 0.000 0.235 82 D C -0.894 175.508 176.300 0.170 0.000 1.011 82 D CA -0.159 53.922 54.000 0.135 0.000 0.963 82 D CB 1.433 42.360 40.800 0.213 0.000 1.349 82 D HN 0.351 nan 8.370 nan 0.000 0.508 83 T N 0.684 115.326 114.554 0.147 0.000 2.749 83 T HA 0.564 4.914 4.350 -0.000 0.000 0.287 83 T C -0.271 174.517 174.700 0.147 0.000 0.970 83 T CA -0.581 61.616 62.100 0.162 0.000 0.980 83 T CB 0.548 69.489 68.868 0.121 0.000 0.924 83 T HN 0.293 nan 8.240 nan 0.000 0.456 84 V N 1.279 121.312 119.914 0.199 0.000 3.141 84 V HA 0.823 4.943 4.120 -0.000 0.000 0.312 84 V C -0.329 175.882 176.094 0.195 0.000 1.157 84 V CA -1.092 61.280 62.300 0.121 0.000 1.041 84 V CB 1.629 33.521 31.823 0.114 0.000 1.071 84 V HN 0.513 nan 8.190 nan 0.000 0.441 85 V N 1.528 121.530 119.914 0.148 0.000 2.607 85 V HA 0.621 4.741 4.120 -0.000 0.000 0.289 85 V C 0.014 176.174 176.094 0.110 0.000 1.053 85 V CA -0.255 62.132 62.300 0.145 0.000 0.996 85 V CB 1.233 33.102 31.823 0.077 0.000 0.995 85 V HN 0.760 nan 8.190 nan 0.000 0.476 86 V N 5.762 125.662 119.914 -0.024 0.000 2.656 86 V HA 0.477 4.597 4.120 -0.000 0.000 0.307 86 V C -2.256 173.716 176.094 -0.204 0.000 1.051 86 V CA -1.661 60.478 62.300 -0.267 0.000 0.893 86 V CB 2.388 33.662 31.823 -0.916 0.000 0.999 86 V HN 0.772 nan 8.190 nan 0.000 0.426 87 P HA 0.445 nan 4.420 nan 0.000 0.274 87 P C -0.627 176.584 177.300 -0.149 0.000 1.246 87 P CA 0.014 62.974 63.100 -0.234 0.000 0.795 87 P CB 1.575 33.149 31.700 -0.211 0.000 1.006 88 S N -0.384 115.240 115.700 -0.127 0.000 2.688 88 S HA 0.306 4.775 4.470 -0.000 0.000 0.269 88 S C -1.515 172.986 174.600 -0.165 0.000 1.060 88 S CA -1.070 57.033 58.200 -0.161 0.000 0.844 88 S CB -0.064 63.018 63.200 -0.197 0.000 1.095 88 S HN 0.456 nan 8.310 nan 0.000 0.466 89 N N 1.026 119.552 118.700 -0.290 0.000 2.417 89 N HA 0.443 5.183 4.740 -0.000 0.000 0.274 89 N C 0.457 175.779 175.510 -0.314 0.000 0.987 89 N CA -0.829 52.032 53.050 -0.314 0.000 0.912 89 N CB 0.750 39.027 38.487 -0.350 0.000 1.177 89 N HN 0.838 nan 8.380 nan 0.000 0.490 90 W N 2.353 123.533 121.300 -0.199 0.000 2.424 90 W HA -0.096 4.564 4.660 0.001 0.000 0.264 90 W C 0.982 177.526 176.519 0.042 0.000 1.229 90 W CA 0.627 57.915 57.345 -0.095 0.000 1.208 90 W CB -0.376 29.048 29.460 -0.061 0.000 1.127 90 W HN 0.491 nan 8.180 nan 0.000 0.588 91 Q N 0.551 120.353 119.800 0.003 0.000 2.079 91 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 91 Q C 2.246 178.223 176.000 -0.038 0.000 0.974 91 Q CA 1.929 57.741 55.803 0.016 0.000 0.840 91 Q CB -0.740 27.894 28.738 -0.172 0.000 0.898 91 Q HN 0.239 nan 8.270 nan 0.000 0.430 92 M N -0.184 119.324 119.600 -0.152 0.000 2.446 92 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 92 M C 0.762 177.072 176.300 0.017 0.000 1.066 92 M CA 1.335 56.556 55.300 -0.131 0.000 1.087 92 M CB -0.571 31.903 32.600 -0.210 0.000 1.406 92 M HN 0.233 nan 8.290 nan 0.000 0.459 93 H N -0.690 118.378 119.070 -0.003 0.000 2.551 93 H HA 0.359 4.915 4.556 0.001 0.000 0.271 93 H C 1.574 176.715 175.328 -0.311 0.000 0.984 93 H CA 0.440 56.430 56.048 -0.098 0.000 1.164 93 H CB -0.024 29.763 29.762 0.040 0.000 1.437 93 H HN 0.490 nan 8.280 nan 0.000 0.550 94 G N 0.379 109.148 108.800 -0.051 0.000 2.159 94 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.256 94 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.256 94 G C 0.675 175.458 174.900 -0.196 0.000 0.977 94 G CA 0.432 45.460 45.100 -0.120 0.000 0.652 94 G HN 0.414 nan 8.290 nan 0.000 0.531 95 Y N 1.639 121.996 120.300 0.095 0.000 2.421 95 Y HA 0.277 4.827 4.550 -0.001 0.000 0.292 95 Y C 1.525 177.215 175.900 -0.351 0.000 1.136 95 Y CA 1.444 59.491 58.100 -0.087 0.000 1.255 95 Y CB 0.201 38.732 38.460 0.118 0.000 0.991 95 Y HN 0.696 nan 8.280 nan 0.000 0.552 96 D N -2.565 117.895 120.400 0.099 0.000 2.710 96 D HA 0.436 5.076 4.640 -0.000 0.000 0.276 96 D C -1.200 175.209 176.300 0.182 0.000 1.267 96 D CA -0.700 53.349 54.000 0.081 0.000 0.772 96 D CB 0.548 41.491 40.800 0.238 0.000 1.299 96 D HN -0.045 nan 8.370 nan 0.000 0.421 97 A N 0.385 123.315 122.820 0.184 0.000 2.354 97 A HA 0.668 4.987 4.320 -0.000 0.000 0.269 97 A C -2.223 175.453 177.584 0.153 0.000 1.109 97 A CA -1.060 51.096 52.037 0.198 0.000 0.800 97 A CB 0.007 19.164 19.000 0.263 0.000 1.045 97 A HN 0.543 nan 8.150 nan 0.000 0.489 98 P HA 0.395 nan 4.420 nan 0.000 0.285 98 P C -0.854 176.616 177.300 0.283 0.000 1.259 98 P CA 0.077 63.173 63.100 -0.006 0.000 0.794 98 P CB 0.858 32.321 31.700 -0.395 0.000 0.940 99 I N 3.468 124.251 120.570 0.357 0.000 2.392 99 I HA 0.271 4.441 4.170 -0.000 0.000 0.295 99 I C -0.258 176.049 176.117 0.317 0.000 0.985 99 I CA -0.964 60.556 61.300 0.367 0.000 1.221 99 I CB 1.175 39.349 38.000 0.289 0.000 1.366 99 I HN 0.328 nan 8.210 nan 0.000 0.467 100 Y N 5.288 125.560 120.300 -0.047 0.000 2.388 100 Y HA 0.491 5.040 4.550 -0.000 0.000 0.328 100 Y C -0.484 175.274 175.900 -0.236 0.000 0.963 100 Y CA -0.650 57.180 58.100 -0.450 0.000 1.240 100 Y CB 1.308 39.019 38.460 -1.250 0.000 1.118 100 Y HN 0.552 nan 8.280 nan 0.000 0.484 101 T N 5.824 119.882 114.554 -0.827 0.000 2.886 101 T HA 0.263 4.612 4.350 -0.000 0.000 0.292 101 T C 0.164 174.448 174.700 -0.694 0.000 1.012 101 T CA -0.588 61.077 62.100 -0.726 0.000 0.982 101 T CB 1.020 69.697 68.868 -0.320 0.000 1.018 101 T HN 0.772 nan 8.240 nan 0.000 0.451 102 N N 2.757 121.074 118.700 -0.639 0.000 2.174 102 N HA -0.008 4.732 4.740 -0.000 0.000 0.191 102 N C 1.650 176.954 175.510 -0.344 0.000 1.059 102 N CA 1.662 54.462 53.050 -0.417 0.000 0.889 102 N CB -0.568 37.672 38.487 -0.412 0.000 1.069 102 N HN 0.429 nan 8.380 nan 0.000 0.461 103 V N 0.470 120.164 119.914 -0.367 0.000 2.341 103 V HA 0.037 4.157 4.120 -0.000 0.000 0.240 103 V C 0.583 176.455 176.094 -0.369 0.000 1.035 103 V CA 0.906 62.987 62.300 -0.365 0.000 1.033 103 V CB -0.942 30.668 31.823 -0.356 0.000 0.678 103 V HN 0.347 nan 8.190 nan 0.000 0.464 104 T N 1.488 115.867 114.554 -0.291 0.000 2.778 104 T HA 0.040 4.390 4.350 -0.000 0.000 0.282 104 T C -0.286 174.312 174.700 -0.171 0.000 0.983 104 T CA 0.332 62.310 62.100 -0.203 0.000 1.193 104 T CB -0.577 68.199 68.868 -0.154 0.000 0.938 104 T HN 0.180 nan 8.240 nan 0.000 0.523 105 Y N 5.677 125.900 120.300 -0.128 0.000 2.890 105 Y HA 0.017 4.567 4.550 -0.000 0.000 0.341 105 Y C -0.559 175.234 175.900 -0.178 0.000 1.269 105 Y CA -1.317 56.697 58.100 -0.143 0.000 1.517 105 Y CB 0.270 38.651 38.460 -0.133 0.000 1.314 105 Y HN 0.507 nan 8.280 nan 0.000 0.622 106 P HA -0.067 nan 4.420 nan 0.000 0.229 106 P C 0.070 177.187 177.300 -0.306 0.000 1.160 106 P CA 1.337 64.361 63.100 -0.126 0.000 0.777 106 P CB 0.244 31.924 31.700 -0.034 0.000 0.814 107 I N -4.273 116.040 120.570 -0.428 0.000 3.237 107 I HA 0.509 4.679 4.170 -0.000 0.000 0.308 107 I C -0.532 175.451 176.117 -0.224 0.000 1.093 107 I CA -1.179 59.840 61.300 -0.469 0.000 1.001 107 I CB 1.235 38.770 38.000 -0.774 0.000 1.245 107 I HN -0.451 nan 8.210 nan 0.000 0.485 108 T N 2.386 116.844 114.554 -0.160 0.000 2.851 108 T HA 0.276 4.626 4.350 -0.000 0.000 0.298 108 T C 0.045 174.728 174.700 -0.027 0.000 0.977 108 T CA -0.363 61.702 62.100 -0.058 0.000 1.126 108 T CB 0.870 69.728 68.868 -0.017 0.000 0.916 108 T HN 0.373 nan 8.240 nan 0.000 0.529 109 V N 4.856 124.770 119.914 0.000 0.000 2.390 109 V HA 0.244 4.364 4.120 -0.000 0.000 0.260 109 V C 0.678 176.803 176.094 0.051 0.000 1.043 109 V CA -0.284 62.032 62.300 0.026 0.000 1.047 109 V CB -0.548 31.288 31.823 0.023 0.000 1.066 109 V HN 0.912 nan 8.190 nan 0.000 0.481 110 N N 5.776 124.551 118.700 0.124 0.000 2.805 110 N HA 0.210 4.950 4.740 -0.000 0.000 0.216 110 N C -2.825 172.757 175.510 0.120 0.000 1.447 110 N CA -1.000 52.122 53.050 0.120 0.000 0.785 110 N CB 1.457 40.050 38.487 0.177 0.000 1.458 110 N HN 0.340 nan 8.380 nan 0.000 0.547 111 P HA 0.173 nan 4.420 nan 0.000 0.266 111 P C -2.204 174.951 177.300 -0.243 0.000 1.195 111 P CA -0.591 62.174 63.100 -0.558 0.000 0.768 111 P CB 0.845 32.049 31.700 -0.827 0.000 0.838 112 P HA 0.211 nan 4.420 nan 0.000 0.259 112 P C -0.459 176.799 177.300 -0.070 0.000 1.530 112 P CA -0.297 62.693 63.100 -0.185 0.000 1.022 112 P CB 0.021 31.550 31.700 -0.284 0.000 1.514 113 F N 1.418 121.511 119.950 0.238 0.000 2.399 113 F HA 0.254 4.781 4.527 -0.000 0.000 0.342 113 F C 1.303 177.241 175.800 0.230 0.000 1.106 113 F CA -0.735 57.384 58.000 0.198 0.000 1.196 113 F CB 0.707 39.770 39.000 0.105 0.000 1.163 113 F HN -0.200 nan 8.300 nan 0.000 0.547 114 V N -0.022 120.133 119.914 0.402 0.000 3.019 114 V HA 0.703 4.823 4.120 -0.000 0.000 0.317 114 V C -2.704 173.539 176.094 0.248 0.000 1.094 114 V CA -3.104 59.352 62.300 0.261 0.000 1.000 114 V CB 1.328 33.358 31.823 0.345 0.000 1.060 114 V HN 0.495 nan 8.190 nan 0.000 0.443 115 P HA 0.116 nan 4.420 nan 0.000 0.265 115 P C 1.121 178.556 177.300 0.225 0.000 1.187 115 P CA 0.730 63.922 63.100 0.153 0.000 0.766 115 P CB 0.456 32.230 31.700 0.122 0.000 0.820 116 T N -0.960 113.700 114.554 0.178 0.000 2.867 116 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 116 T C 0.525 175.331 174.700 0.177 0.000 1.057 116 T CA 0.926 63.135 62.100 0.182 0.000 1.136 116 T CB -0.495 68.448 68.868 0.124 0.000 0.874 116 T HN 0.408 nan 8.240 nan 0.000 0.466 117 E N 2.549 122.853 120.200 0.173 0.000 1.861 117 E HA 0.211 4.561 4.350 -0.000 0.000 0.263 117 E C -0.650 176.093 176.600 0.238 0.000 1.137 117 E CA -0.378 56.127 56.400 0.175 0.000 0.944 117 E CB 0.071 29.880 29.700 0.182 0.000 1.092 117 E HN 0.238 nan 8.360 nan 0.000 0.420 118 N N 3.833 122.642 118.700 0.182 0.000 2.501 118 N HA 0.207 4.947 4.740 -0.000 0.000 0.245 118 N C -2.729 172.780 175.510 -0.002 0.000 0.974 118 N CA -2.290 50.884 53.050 0.208 0.000 0.941 118 N CB 1.213 39.790 38.487 0.150 0.000 1.122 118 N HN 0.039 nan 8.380 nan 0.000 0.507 119 P HA -0.006 nan 4.420 nan 0.000 0.255 119 P C -0.869 176.272 177.300 -0.265 0.000 1.173 119 P CA 0.574 63.569 63.100 -0.175 0.000 0.780 119 P CB 0.233 32.122 31.700 0.314 0.000 0.758 120 T N 3.240 117.415 114.554 -0.632 0.000 2.758 120 T HA 0.510 4.860 4.350 -0.000 0.000 0.285 120 T C 0.574 174.805 174.700 -0.781 0.000 0.981 120 T CA -0.536 61.270 62.100 -0.489 0.000 0.965 120 T CB 1.299 69.914 68.868 -0.423 0.000 0.927 120 T HN 0.288 nan 8.240 nan 0.000 0.448 121 G N 1.171 109.585 108.800 -0.643 0.000 2.319 121 G HA2 0.442 4.402 3.960 -0.000 0.000 0.308 121 G HA3 0.442 4.402 3.960 -0.000 0.000 0.308 121 G C -0.210 174.561 174.900 -0.215 0.000 1.117 121 G CA -0.383 44.295 45.100 -0.704 0.000 0.903 121 G HN 0.856 nan 8.290 nan 0.000 0.436 122 C N 3.445 122.395 119.300 -0.583 0.000 2.200 122 C HA 0.411 4.871 4.460 -0.000 0.000 0.328 122 C C -0.508 174.553 174.990 0.118 0.000 1.148 122 C CA -0.891 57.897 59.018 -0.384 0.000 1.624 122 C CB -1.808 25.261 27.740 -1.118 0.000 2.167 122 C HN 0.623 nan 8.230 nan 0.000 0.484 123 Y N 2.205 122.851 120.300 0.576 0.000 2.342 123 Y HA 0.563 5.114 4.550 0.001 0.000 0.334 123 Y C 0.849 177.222 175.900 0.787 0.000 1.067 123 Y CA -0.085 58.441 58.100 0.710 0.000 1.128 123 Y CB 1.324 40.153 38.460 0.616 0.000 1.200 123 Y HN 0.663 nan 8.280 nan 0.000 0.464 124 S N 2.928 119.121 115.700 0.822 0.000 2.564 124 S HA 0.838 5.308 4.470 -0.000 0.000 0.274 124 S C -1.736 172.995 174.600 0.220 0.000 1.124 124 S CA -0.848 57.624 58.200 0.454 0.000 0.869 124 S CB 2.271 65.634 63.200 0.271 0.000 1.105 124 S HN 0.583 nan 8.310 nan 0.000 0.472 125 L N 1.051 122.222 121.223 -0.086 0.000 2.543 125 L HA 0.655 4.994 4.340 -0.000 0.000 0.265 125 L C -1.194 175.642 176.870 -0.056 0.000 0.945 125 L CA 0.107 54.725 54.840 -0.371 0.000 0.869 125 L CB 2.260 43.537 42.059 -1.303 0.000 1.294 125 L HN 0.900 nan 8.230 nan 0.000 0.405 126 T N 5.644 120.185 114.554 -0.021 0.000 2.749 126 T HA 0.760 5.110 4.350 -0.000 0.000 0.287 126 T C -0.821 173.930 174.700 0.085 0.000 0.970 126 T CA -0.054 62.060 62.100 0.023 0.000 0.980 126 T CB 0.389 69.235 68.868 -0.037 0.000 0.924 126 T HN 0.445 nan 8.240 nan 0.000 0.456 127 F N 0.596 120.448 119.950 -0.163 0.000 2.711 127 F HA 0.786 5.313 4.527 -0.001 0.000 0.313 127 F C -1.226 174.497 175.800 -0.128 0.000 1.141 127 F CA -1.796 56.110 58.000 -0.156 0.000 0.941 127 F CB 0.948 39.832 39.000 -0.194 0.000 1.349 127 F HN 0.425 nan 8.300 nan 0.000 0.464 128 N N -0.297 118.250 118.700 -0.256 0.000 2.292 128 N HA 0.714 5.454 4.740 -0.000 0.000 0.303 128 N C -1.873 173.495 175.510 -0.237 0.000 1.140 128 N CA -0.977 51.867 53.050 -0.345 0.000 0.788 128 N CB 2.301 40.665 38.487 -0.205 0.000 1.361 128 N HN 0.546 nan 8.380 nan 0.000 0.489 129 V N 0.338 120.098 119.914 -0.257 0.000 2.459 129 V HA 0.284 4.404 4.120 -0.000 0.000 0.295 129 V C -0.286 175.687 176.094 -0.202 0.000 1.029 129 V CA -0.957 61.201 62.300 -0.236 0.000 0.874 129 V CB 1.367 33.112 31.823 -0.130 0.000 0.985 129 V HN 0.669 nan 8.190 nan 0.000 0.438 130 D N 2.907 123.125 120.400 -0.304 0.000 2.472 130 D HA -0.040 4.599 4.640 -0.000 0.000 0.237 130 D C 1.045 177.347 176.300 0.004 0.000 1.141 130 D CA 0.303 54.218 54.000 -0.141 0.000 0.875 130 D CB 1.489 42.209 40.800 -0.133 0.000 1.192 130 D HN 0.810 nan 8.370 nan 0.000 0.450 131 E N 1.083 121.303 120.200 0.033 0.000 2.204 131 E HA -0.186 4.163 4.350 -0.000 0.000 0.195 131 E C 1.662 178.338 176.600 0.128 0.000 0.990 131 E CA 1.029 57.469 56.400 0.067 0.000 0.821 131 E CB 0.195 29.918 29.700 0.038 0.000 0.750 131 E HN 0.444 nan 8.360 nan 0.000 0.477 132 S N -0.637 115.159 115.700 0.161 0.000 2.447 132 S HA -0.132 4.337 4.470 -0.000 0.000 0.233 132 S C 1.400 176.139 174.600 0.231 0.000 1.006 132 S CA 0.519 58.820 58.200 0.168 0.000 0.957 132 S CB -0.537 62.748 63.200 0.141 0.000 0.773 132 S HN 0.415 nan 8.310 nan 0.000 0.507 133 W N 1.622 122.925 121.300 0.004 0.000 2.584 133 W HA 0.393 5.053 4.660 0.001 0.000 0.264 133 W C 1.701 178.345 176.519 0.209 0.000 1.264 133 W CA -0.067 57.340 57.345 0.103 0.000 1.306 133 W CB -0.343 29.208 29.460 0.152 0.000 1.110 133 W HN 0.296 nan 8.180 nan 0.000 0.606 134 L N -0.382 121.044 121.223 0.339 0.000 2.607 134 L HA 0.103 4.443 4.340 -0.000 0.000 0.228 134 L C 1.768 178.733 176.870 0.157 0.000 1.123 134 L CA 0.380 55.355 54.840 0.225 0.000 0.890 134 L CB -0.422 41.735 42.059 0.162 0.000 1.103 134 L HN -0.034 nan 8.230 nan 0.000 0.468 135 Q N 0.799 120.689 119.800 0.151 0.000 2.424 135 Q HA 0.028 4.368 4.340 -0.000 0.000 0.204 135 Q C -0.079 175.979 176.000 0.097 0.000 0.933 135 Q CA 0.412 56.275 55.803 0.101 0.000 0.929 135 Q CB 0.593 29.378 28.738 0.079 0.000 1.037 135 Q HN 0.598 nan 8.270 nan 0.000 0.511 136 E N -2.113 118.172 120.200 0.140 0.000 2.429 136 E HA 0.534 4.884 4.350 -0.000 0.000 0.280 136 E C -0.176 176.521 176.600 0.161 0.000 1.068 136 E CA -0.719 55.754 56.400 0.121 0.000 0.837 136 E CB 0.610 30.368 29.700 0.095 0.000 1.357 136 E HN 0.037 nan 8.360 nan 0.000 0.455 137 G N 0.538 109.366 108.800 0.047 0.000 2.682 137 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.256 137 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.256 137 G C -0.612 174.144 174.900 -0.240 0.000 1.333 137 G CA 0.289 45.316 45.100 -0.122 0.000 0.904 137 G HN 0.722 nan 8.290 nan 0.000 0.569 138 Q N -0.403 119.137 119.800 -0.434 0.000 2.293 138 Q HA 0.598 4.938 4.340 -0.000 0.000 0.261 138 Q C -0.853 174.918 176.000 -0.380 0.000 0.960 138 Q CA -0.359 55.272 55.803 -0.288 0.000 0.882 138 Q CB 1.166 29.797 28.738 -0.178 0.000 1.275 138 Q HN 0.574 nan 8.270 nan 0.000 0.445 139 T N 5.276 119.781 114.554 -0.081 0.000 2.791 139 T HA 0.473 4.823 4.350 -0.000 0.000 0.288 139 T C -0.652 174.143 174.700 0.158 0.000 0.999 139 T CA -0.668 61.504 62.100 0.121 0.000 0.952 139 T CB 0.546 69.637 68.868 0.372 0.000 0.938 139 T HN 0.640 nan 8.240 nan 0.000 0.444 140 R N 2.771 123.363 120.500 0.152 0.000 2.854 140 R HA 0.802 5.142 4.340 -0.000 0.000 0.271 140 R C -1.177 175.217 176.300 0.157 0.000 0.996 140 R CA -1.044 55.145 56.100 0.147 0.000 0.961 140 R CB 1.654 32.018 30.300 0.106 0.000 1.182 140 R HN 0.548 nan 8.270 nan 0.000 0.479 141 I N 2.169 122.833 120.570 0.157 0.000 2.493 141 I HA 0.456 4.626 4.170 -0.000 0.000 0.298 141 I C -1.132 175.038 176.117 0.088 0.000 0.998 141 I CA -1.387 59.963 61.300 0.083 0.000 1.137 141 I CB 1.510 39.559 38.000 0.082 0.000 1.310 141 I HN 0.622 nan 8.210 nan 0.000 0.445 142 I N 7.330 127.849 120.570 -0.084 0.000 2.439 142 I HA 0.273 4.443 4.170 -0.000 0.000 0.285 142 I C -1.276 174.697 176.117 -0.240 0.000 1.021 142 I CA -0.389 60.875 61.300 -0.059 0.000 1.091 142 I CB 1.358 39.331 38.000 -0.045 0.000 1.242 142 I HN 0.386 nan 8.210 nan 0.000 0.439 143 F N 4.592 124.535 119.950 -0.012 0.000 2.313 143 F HA 0.255 4.782 4.527 -0.001 0.000 0.369 143 F C 1.397 177.081 175.800 -0.192 0.000 1.109 143 F CA -0.434 57.483 58.000 -0.137 0.000 1.132 143 F CB 0.583 39.465 39.000 -0.197 0.000 1.291 143 F HN 0.459 nan 8.300 nan 0.000 0.496 144 D N 2.398 122.705 120.400 -0.155 0.000 2.310 144 D HA 0.028 4.668 4.640 -0.000 0.000 0.212 144 D C 1.010 177.125 176.300 -0.308 0.000 0.965 144 D CA 0.877 54.741 54.000 -0.227 0.000 0.879 144 D CB 0.397 41.010 40.800 -0.313 0.000 0.921 144 D HN 0.639 nan 8.370 nan 0.000 0.510 145 G N -0.279 108.274 108.800 -0.412 0.000 2.269 145 G HA2 0.400 4.360 3.960 -0.000 0.000 0.297 145 G HA3 0.400 4.360 3.960 -0.000 0.000 0.297 145 G C -1.409 173.163 174.900 -0.547 0.000 1.340 145 G CA -0.469 44.241 45.100 -0.651 0.000 1.240 145 G HN -0.053 nan 8.290 nan 0.000 0.596 146 V N 2.807 122.632 119.914 -0.147 0.000 2.482 146 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 146 V C -0.633 175.551 176.094 0.149 0.000 1.026 146 V CA -1.265 60.969 62.300 -0.109 0.000 0.856 146 V CB 1.819 33.293 31.823 -0.582 0.000 1.001 146 V HN 0.686 nan 8.190 nan 0.000 0.424 147 N N 2.689 121.480 118.700 0.152 0.000 2.437 147 N HA 0.270 5.010 4.740 -0.000 0.000 0.259 147 N C 0.707 176.166 175.510 -0.085 0.000 0.983 147 N CA 0.279 53.313 53.050 -0.027 0.000 0.937 147 N CB 2.063 40.355 38.487 -0.325 0.000 1.122 147 N HN 0.748 nan 8.380 nan 0.000 0.499 148 S N 1.911 117.607 115.700 -0.008 0.000 2.559 148 S HA 0.541 5.011 4.470 -0.000 0.000 0.226 148 S C 0.245 174.920 174.600 0.124 0.000 1.030 148 S CA -0.075 58.163 58.200 0.063 0.000 0.956 148 S CB 0.404 63.655 63.200 0.084 0.000 0.900 148 S HN 0.625 nan 8.310 nan 0.000 0.510 149 A N 0.870 123.783 122.820 0.155 0.000 2.612 149 A HA 0.785 5.105 4.320 -0.000 0.000 0.293 149 A C -1.369 176.356 177.584 0.236 0.000 1.075 149 A CA -0.868 51.239 52.037 0.116 0.000 0.680 149 A CB 0.919 20.008 19.000 0.148 0.000 1.279 149 A HN 1.170 nan 8.150 nan 0.000 0.411 150 F N -0.768 119.063 119.950 -0.197 0.000 2.744 150 F HA 0.731 5.258 4.527 -0.000 0.000 0.311 150 F C -1.417 174.325 175.800 -0.097 0.000 1.144 150 F CA -0.785 57.172 58.000 -0.072 0.000 0.938 150 F CB 0.925 39.856 39.000 -0.115 0.000 1.292 150 F HN 0.630 nan 8.300 nan 0.000 0.444 151 H N 1.844 121.004 119.070 0.151 0.000 2.492 151 H HA 0.732 5.288 4.556 -0.000 0.000 0.345 151 H C -1.471 173.725 175.328 -0.220 0.000 1.136 151 H CA -0.746 55.245 56.048 -0.095 0.000 1.202 151 H CB 2.457 32.200 29.762 -0.032 0.000 1.524 151 H HN 0.817 nan 8.280 nan 0.000 0.506 152 L N 3.195 124.107 121.223 -0.519 0.000 2.362 152 L HA 0.411 4.751 4.340 -0.000 0.000 0.275 152 L C -1.568 174.928 176.870 -0.623 0.000 0.998 152 L CA -0.480 54.106 54.840 -0.423 0.000 0.820 152 L CB 1.264 42.959 42.059 -0.607 0.000 1.270 152 L HN 0.490 nan 8.230 nan 0.000 0.415 153 W N 4.633 125.882 121.300 -0.086 0.000 2.819 153 W HA 0.523 5.183 4.660 0.001 0.000 0.337 153 W C -1.168 175.313 176.519 -0.064 0.000 1.077 153 W CA -0.798 56.508 57.345 -0.064 0.000 1.226 153 W CB 2.016 31.478 29.460 0.002 0.000 1.419 153 W HN 0.552 nan 8.180 nan 0.000 0.502 154 C N 5.844 125.255 119.300 0.186 0.000 2.344 154 C HA 0.314 4.774 4.460 -0.000 0.000 0.326 154 C C 0.016 175.159 174.990 0.256 0.000 1.201 154 C CA -0.329 58.798 59.018 0.182 0.000 1.410 154 C CB -1.103 26.693 27.740 0.093 0.000 2.070 154 C HN 0.760 nan 8.230 nan 0.000 0.445 155 N N 4.148 122.940 118.700 0.154 0.000 2.726 155 N HA -0.164 4.576 4.740 -0.000 0.000 0.253 155 N C 0.980 176.558 175.510 0.112 0.000 1.059 155 N CA 1.802 54.910 53.050 0.096 0.000 0.701 155 N CB -1.302 37.245 38.487 0.100 0.000 0.899 155 N HN 1.729 nan 8.380 nan 0.000 0.548 156 G N -0.712 108.133 108.800 0.076 0.000 2.480 156 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.246 156 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.246 156 G C 0.282 175.331 174.900 0.249 0.000 1.073 156 G CA 0.878 46.014 45.100 0.060 0.000 0.643 156 G HN 0.572 nan 8.290 nan 0.000 0.525 157 R N -0.428 120.281 120.500 0.349 0.000 2.390 157 R HA 0.349 4.689 4.340 -0.000 0.000 0.291 157 R C -0.111 176.589 176.300 0.667 0.000 1.070 157 R CA -0.539 55.855 56.100 0.491 0.000 1.014 157 R CB 0.774 31.318 30.300 0.407 0.000 1.007 157 R HN 0.304 nan 8.270 nan 0.000 0.466 158 W N 3.486 125.049 121.300 0.438 0.000 2.266 158 W HA 0.106 4.765 4.660 -0.001 0.000 0.317 158 W C 0.202 176.692 176.519 -0.047 0.000 1.310 158 W CA -0.140 57.183 57.345 -0.037 0.000 1.207 158 W CB 0.688 30.077 29.460 -0.118 0.000 1.199 158 W HN 0.312 nan 8.180 nan 0.000 0.544 159 V N 5.230 124.450 119.914 -1.155 0.000 2.599 159 V HA 0.532 4.652 4.120 -0.000 0.000 0.237 159 V C 1.046 176.186 176.094 -1.590 0.000 1.081 159 V CA 1.083 62.645 62.300 -1.230 0.000 1.107 159 V CB -0.581 30.556 31.823 -1.143 0.000 0.808 159 V HN 0.789 nan 8.190 nan 0.000 0.486 160 G N -1.944 105.703 108.800 -1.921 0.000 2.490 160 G HA2 0.495 4.454 3.960 -0.000 0.000 0.308 160 G HA3 0.495 4.454 3.960 -0.000 0.000 0.308 160 G C -2.430 172.062 174.900 -0.679 0.000 1.286 160 G CA -0.290 44.038 45.100 -1.286 0.000 0.825 160 G HN 0.011 nan 8.290 nan 0.000 0.479 161 Y N -0.505 119.602 120.300 -0.322 0.000 2.553 161 Y HA 0.730 5.280 4.550 -0.000 0.000 0.347 161 Y C -0.063 175.635 175.900 -0.336 0.000 1.019 161 Y CA -0.267 57.584 58.100 -0.415 0.000 1.032 161 Y CB 2.299 40.669 38.460 -0.151 0.000 1.284 161 Y HN 1.188 nan 8.280 nan 0.000 0.466 162 G N 3.525 111.487 108.800 -1.398 0.000 2.733 162 G HA2 0.572 4.532 3.960 -0.000 0.000 0.297 162 G HA3 0.572 4.532 3.960 -0.000 0.000 0.297 162 G C -2.161 172.276 174.900 -0.771 0.000 1.422 162 G CA -0.845 43.731 45.100 -0.875 0.000 0.942 162 G HN 0.618 nan 8.290 nan 0.000 0.510 163 Q N -0.178 119.412 119.800 -0.349 0.000 2.528 163 Q HA 0.594 4.934 4.340 -0.000 0.000 0.289 163 Q C -1.442 174.557 176.000 -0.002 0.000 1.091 163 Q CA -0.795 54.927 55.803 -0.135 0.000 0.797 163 Q CB 2.843 31.532 28.738 -0.081 0.000 1.466 163 Q HN 0.661 nan 8.270 nan 0.000 0.436 164 D N -0.181 120.256 120.400 0.062 0.000 3.943 164 D HA -0.091 4.549 4.640 -0.000 0.000 0.229 164 D C -0.436 175.927 176.300 0.106 0.000 1.096 164 D CA 0.508 54.559 54.000 0.085 0.000 1.008 164 D CB -0.814 40.017 40.800 0.053 0.000 0.746 164 D HN 0.530 nan 8.370 nan 0.000 0.348 165 S N 2.374 118.151 115.700 0.129 0.000 2.493 165 S HA -0.151 4.319 4.470 -0.000 0.000 0.243 165 S C 1.640 176.383 174.600 0.239 0.000 0.991 165 S CA 0.756 59.068 58.200 0.187 0.000 0.957 165 S CB 0.156 63.427 63.200 0.118 0.000 0.756 165 S HN 0.462 nan 8.310 nan 0.000 0.521 166 R N -0.071 120.521 120.500 0.152 0.000 2.397 166 R HA 0.408 4.748 4.340 -0.000 0.000 0.241 166 R C -0.033 176.321 176.300 0.090 0.000 0.914 166 R CA 0.073 56.258 56.100 0.142 0.000 1.071 166 R CB 0.058 30.459 30.300 0.169 0.000 1.116 166 R HN 0.346 nan 8.270 nan 0.000 0.524 167 L N 2.308 123.560 121.223 0.048 0.000 2.341 167 L HA 0.485 4.825 4.340 -0.000 0.000 0.267 167 L C -2.266 174.581 176.870 -0.038 0.000 1.009 167 L CA -2.264 52.574 54.840 -0.003 0.000 0.819 167 L CB 2.740 44.793 42.059 -0.011 0.000 1.323 167 L HN -0.216 nan 8.230 nan 0.000 0.425 168 P HA 0.083 nan 4.420 nan 0.000 0.271 168 P C -0.956 176.313 177.300 -0.052 0.000 1.216 168 P CA -0.211 62.843 63.100 -0.076 0.000 0.776 168 P CB 1.224 32.845 31.700 -0.132 0.000 0.881 169 S N 2.005 117.742 115.700 0.062 0.000 2.449 169 S HA 0.312 4.782 4.470 -0.000 0.000 0.310 169 S C -0.387 174.224 174.600 0.018 0.000 1.096 169 S CA -0.542 57.678 58.200 0.033 0.000 1.095 169 S CB 0.888 64.279 63.200 0.317 0.000 1.007 169 S HN 0.387 nan 8.310 nan 0.000 0.474 170 E N 1.929 121.926 120.200 -0.339 0.000 2.199 170 E HA 0.552 4.902 4.350 -0.000 0.000 0.269 170 E C -1.438 174.789 176.600 -0.622 0.000 0.899 170 E CA -0.493 55.762 56.400 -0.242 0.000 0.772 170 E CB 1.491 31.131 29.700 -0.100 0.000 1.155 170 E HN 0.410 nan 8.360 nan 0.000 0.408 171 F N 0.782 120.770 119.950 0.064 0.000 2.565 171 F HA 0.211 4.739 4.527 0.000 0.000 0.313 171 F C 0.065 175.868 175.800 0.005 0.000 1.091 171 F CA -1.125 56.871 58.000 -0.006 0.000 0.915 171 F CB 1.443 40.395 39.000 -0.080 0.000 1.208 171 F HN 0.264 nan 8.300 nan 0.000 0.453 172 D N 3.115 123.608 120.400 0.154 0.000 2.352 172 D HA 0.207 4.847 4.640 -0.000 0.000 0.245 172 D C 0.473 176.865 176.300 0.153 0.000 1.224 172 D CA 0.240 54.319 54.000 0.132 0.000 0.879 172 D CB 0.866 41.733 40.800 0.111 0.000 1.057 172 D HN 0.585 nan 8.370 nan 0.000 0.491 173 L N 2.660 123.981 121.223 0.165 0.000 2.592 173 L HA -0.016 4.324 4.340 -0.000 0.000 0.227 173 L C 2.263 179.337 176.870 0.339 0.000 1.127 173 L CA -0.171 54.793 54.840 0.207 0.000 0.884 173 L CB -0.075 42.091 42.059 0.178 0.000 1.065 173 L HN 0.276 nan 8.230 nan 0.000 0.457 174 S N 1.437 117.289 115.700 0.253 0.000 2.406 174 S HA -0.326 4.144 4.470 -0.000 0.000 0.242 174 S C 1.896 176.622 174.600 0.210 0.000 1.079 174 S CA 2.028 60.352 58.200 0.207 0.000 1.133 174 S CB -0.263 63.014 63.200 0.129 0.000 1.005 174 S HN 0.581 nan 8.310 nan 0.000 0.443 175 A N -0.918 122.045 122.820 0.238 0.000 2.302 175 A HA 0.416 4.736 4.320 -0.000 0.000 0.219 175 A C 1.071 178.606 177.584 -0.083 0.000 1.243 175 A CA 0.130 52.200 52.037 0.055 0.000 0.856 175 A CB -0.381 18.583 19.000 -0.060 0.000 0.893 175 A HN 0.460 nan 8.150 nan 0.000 0.491 176 F N -0.988 119.004 119.950 0.070 0.000 2.711 176 F HA 0.363 4.889 4.527 -0.000 0.000 0.296 176 F C 0.681 176.516 175.800 0.059 0.000 1.096 176 F CA -0.337 57.703 58.000 0.067 0.000 1.280 176 F CB 0.006 39.053 39.000 0.077 0.000 1.060 176 F HN -0.039 nan 8.300 nan 0.000 0.608 177 L N 1.801 123.179 121.223 0.259 0.000 2.418 177 L HA 0.434 4.774 4.340 -0.000 0.000 0.265 177 L C 0.222 177.138 176.870 0.076 0.000 1.143 177 L CA -0.462 54.466 54.840 0.147 0.000 0.809 177 L CB 0.886 43.047 42.059 0.170 0.000 1.124 177 L HN 0.086 nan 8.230 nan 0.000 0.456 178 R N 1.647 122.154 120.500 0.011 0.000 2.795 178 R HA 0.800 5.140 4.340 -0.000 0.000 0.275 178 R C -0.994 175.284 176.300 -0.037 0.000 0.981 178 R CA -0.921 55.175 56.100 -0.006 0.000 0.917 178 R CB 1.497 31.783 30.300 -0.024 0.000 1.202 178 R HN 0.547 nan 8.270 nan 0.000 0.469 179 A N 1.495 124.302 122.820 -0.021 0.000 2.520 179 A HA 0.498 4.818 4.320 -0.000 0.000 0.245 179 A C 1.006 178.545 177.584 -0.075 0.000 1.072 179 A CA 1.021 53.037 52.037 -0.035 0.000 0.761 179 A CB -0.789 18.205 19.000 -0.011 0.000 1.004 179 A HN 1.365 nan 8.150 nan 0.000 0.499 180 G N 1.575 110.309 108.800 -0.109 0.000 2.482 180 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.214 180 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.214 180 G C -0.256 174.521 174.900 -0.205 0.000 1.271 180 G CA -0.119 44.903 45.100 -0.130 0.000 0.944 180 G HN 0.990 nan 8.290 nan 0.000 0.568 181 E N 1.144 121.231 120.200 -0.188 0.000 2.502 181 E HA 0.190 4.540 4.350 -0.000 0.000 0.261 181 E C 0.026 176.437 176.600 -0.314 0.000 0.974 181 E CA 0.526 56.779 56.400 -0.246 0.000 0.936 181 E CB 0.203 29.807 29.700 -0.161 0.000 0.926 181 E HN 0.417 nan 8.360 nan 0.000 0.459 182 N N 2.011 120.408 118.700 -0.506 0.000 2.396 182 N HA 0.351 5.090 4.740 -0.000 0.000 0.275 182 N C -1.155 174.115 175.510 -0.400 0.000 1.218 182 N CA -0.651 52.091 53.050 -0.514 0.000 0.812 182 N CB 2.336 40.322 38.487 -0.836 0.000 1.592 182 N HN 0.315 nan 8.380 nan 0.000 0.480 183 R N 1.418 121.848 120.500 -0.116 0.000 2.575 183 R HA 0.542 4.882 4.340 -0.000 0.000 0.293 183 R C -1.342 175.034 176.300 0.126 0.000 0.983 183 R CA -0.499 55.613 56.100 0.020 0.000 0.887 183 R CB 1.133 31.404 30.300 -0.050 0.000 1.184 183 R HN 0.467 nan 8.270 nan 0.000 0.445 184 L N 3.259 124.586 121.223 0.172 0.000 2.309 184 L HA 0.731 5.071 4.340 -0.000 0.000 0.282 184 L C -0.352 176.581 176.870 0.106 0.000 1.036 184 L CA -0.953 53.989 54.840 0.171 0.000 0.806 184 L CB 1.977 44.136 42.059 0.167 0.000 1.220 184 L HN 0.776 nan 8.230 nan 0.000 0.429 185 A N 3.732 126.621 122.820 0.114 0.000 2.311 185 A HA 0.714 5.034 4.320 -0.000 0.000 0.306 185 A C -0.894 176.954 177.584 0.439 0.000 1.189 185 A CA -0.435 51.565 52.037 -0.062 0.000 0.791 185 A CB 1.305 19.935 19.000 -0.617 0.000 1.172 185 A HN 0.392 nan 8.150 nan 0.000 0.481 186 V N 3.929 124.258 119.914 0.693 0.000 2.349 186 V HA 0.370 4.490 4.120 -0.000 0.000 0.284 186 V C -0.034 176.589 176.094 0.881 0.000 1.014 186 V CA -0.227 62.496 62.300 0.706 0.000 0.826 186 V CB 1.291 33.384 31.823 0.450 0.000 1.009 186 V HN 0.968 nan 8.190 nan 0.000 0.431 187 M N 6.024 126.169 119.600 0.908 0.000 2.077 187 M HA 0.505 4.985 4.480 -0.000 0.000 0.348 187 M C -1.260 175.318 176.300 0.464 0.000 1.252 187 M CA -0.249 55.421 55.300 0.617 0.000 1.096 187 M CB 0.953 33.953 32.600 0.666 0.000 1.568 187 M HN 0.446 nan 8.290 nan 0.000 0.456 188 V N 7.171 127.321 119.914 0.394 0.000 2.350 188 V HA 0.358 4.478 4.120 -0.000 0.000 0.276 188 V C -0.134 176.140 176.094 0.300 0.000 1.028 188 V CA -0.648 61.886 62.300 0.391 0.000 0.860 188 V CB 1.318 33.453 31.823 0.520 0.000 0.990 188 V HN 0.786 nan 8.190 nan 0.000 0.453 189 L N 5.169 126.500 121.223 0.180 0.000 2.276 189 L HA 0.504 4.844 4.340 -0.000 0.000 0.286 189 L C 1.581 178.490 176.870 0.065 0.000 1.061 189 L CA -0.325 54.538 54.840 0.038 0.000 0.807 189 L CB 0.999 42.974 42.059 -0.140 0.000 1.177 189 L HN 0.625 nan 8.230 nan 0.000 0.429 190 R N 2.955 123.456 120.500 0.001 0.000 2.081 190 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 190 R C -0.273 175.766 176.300 -0.434 0.000 1.131 190 R CA 1.280 57.175 56.100 -0.341 0.000 0.960 190 R CB 0.223 30.181 30.300 -0.569 0.000 0.856 190 R HN 0.572 nan 8.270 nan 0.000 0.436 191 W N -0.044 121.311 121.300 0.092 0.000 2.639 191 W HA 0.431 5.091 4.660 -0.000 0.000 0.347 191 W C -0.402 176.201 176.519 0.139 0.000 1.067 191 W CA -0.803 56.593 57.345 0.086 0.000 1.218 191 W CB 1.830 31.341 29.460 0.086 0.000 1.393 191 W HN 0.014 nan 8.180 nan 0.000 0.557 192 S N -1.303 114.664 115.700 0.445 0.000 2.615 192 S HA 0.107 4.577 4.470 -0.000 0.000 0.268 192 S C -0.017 174.785 174.600 0.336 0.000 1.146 192 S CA -0.430 58.034 58.200 0.441 0.000 0.818 192 S CB 1.087 64.531 63.200 0.408 0.000 1.111 192 S HN 0.651 nan 8.310 nan 0.000 0.465 193 D N 0.772 121.394 120.400 0.370 0.000 2.221 193 D HA 0.026 4.666 4.640 -0.000 0.000 0.204 193 D C 1.749 178.342 176.300 0.489 0.000 0.982 193 D CA 1.525 55.796 54.000 0.451 0.000 0.857 193 D CB -0.784 40.185 40.800 0.281 0.000 0.934 193 D HN 0.768 nan 8.370 nan 0.000 0.475 194 G N -0.312 108.693 108.800 0.343 0.000 2.509 194 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 194 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 194 G C 1.637 176.702 174.900 0.275 0.000 1.124 194 G CA 0.587 45.871 45.100 0.306 0.000 0.776 194 G HN 0.319 nan 8.290 nan 0.000 0.547 195 S N -0.086 115.744 115.700 0.217 0.000 2.447 195 S HA -0.061 4.409 4.470 -0.000 0.000 0.233 195 S C 1.831 176.491 174.600 0.101 0.000 1.006 195 S CA 0.469 58.767 58.200 0.163 0.000 0.957 195 S CB -0.327 62.972 63.200 0.166 0.000 0.773 195 S HN 0.503 nan 8.310 nan 0.000 0.507 196 Y N 1.288 121.688 120.300 0.166 0.000 2.421 196 Y HA 0.105 4.655 4.550 0.000 0.000 0.292 196 Y C 1.642 177.630 175.900 0.147 0.000 1.136 196 Y CA 0.543 58.660 58.100 0.029 0.000 1.255 196 Y CB -0.268 38.094 38.460 -0.164 0.000 0.991 196 Y HN 0.225 nan 8.280 nan 0.000 0.552 197 L N -0.711 120.695 121.223 0.305 0.000 2.640 197 L HA 0.137 4.477 4.340 -0.000 0.000 0.230 197 L C 0.168 177.171 176.870 0.223 0.000 1.123 197 L CA 0.359 55.338 54.840 0.231 0.000 0.900 197 L CB 0.095 42.292 42.059 0.231 0.000 1.146 197 L HN 0.061 nan 8.230 nan 0.000 0.484 198 E N 0.392 120.739 120.200 0.244 0.000 3.269 198 E HA 0.036 4.386 4.350 -0.000 0.000 0.221 198 E C -0.514 176.207 176.600 0.203 0.000 1.113 198 E CA -0.095 56.438 56.400 0.221 0.000 1.385 198 E CB 0.364 30.185 29.700 0.202 0.000 1.345 198 E HN 0.053 nan 8.360 nan 0.000 0.435 199 D N 1.243 121.727 120.400 0.140 0.000 3.071 199 D HA 0.044 4.684 4.640 -0.000 0.000 0.259 199 D C -0.406 175.875 176.300 -0.031 0.000 1.331 199 D CA -0.239 53.748 54.000 -0.022 0.000 0.861 199 D CB 0.139 40.715 40.800 -0.372 0.000 1.059 199 D HN 0.013 nan 8.370 nan 0.000 0.486 200 Q N 0.303 120.171 119.800 0.114 0.000 2.340 200 Q HA 0.197 4.537 4.340 -0.000 0.000 0.249 200 Q C -0.243 175.844 176.000 0.146 0.000 0.957 200 Q CA -0.265 55.652 55.803 0.190 0.000 0.882 200 Q CB 0.912 29.924 28.738 0.456 0.000 1.235 200 Q HN 0.111 nan 8.270 nan 0.000 0.439 201 D N 2.825 123.317 120.400 0.153 0.000 2.541 201 D HA 0.153 4.793 4.640 -0.000 0.000 0.231 201 D C -0.804 175.618 176.300 0.204 0.000 1.163 201 D CA 0.119 54.191 54.000 0.121 0.000 1.077 201 D CB -0.412 40.438 40.800 0.083 0.000 1.110 201 D HN 0.468 nan 8.370 nan 0.000 0.499 202 M N -0.243 119.449 119.600 0.154 0.000 2.924 202 M HA 0.463 4.943 4.480 -0.000 0.000 0.271 202 M C -1.221 175.169 176.300 0.150 0.000 1.280 202 M CA -1.199 54.133 55.300 0.054 0.000 0.813 202 M CB 1.036 33.599 32.600 -0.063 0.000 1.658 202 M HN -0.115 nan 8.290 nan 0.000 0.467 203 W N 2.116 123.483 121.300 0.112 0.000 2.264 203 W HA 0.288 4.948 4.660 0.000 0.000 0.331 203 W C 0.206 176.742 176.519 0.029 0.000 1.364 203 W CA -0.048 57.358 57.345 0.102 0.000 1.253 203 W CB 0.372 29.820 29.460 -0.020 0.000 1.215 203 W HN 0.291 nan 8.180 nan 0.000 0.561 204 R N 5.272 125.941 120.500 0.282 0.000 2.235 204 R HA 0.327 4.667 4.340 -0.000 0.000 0.338 204 R C -0.034 176.274 176.300 0.012 0.000 1.087 204 R CA -0.073 56.121 56.100 0.158 0.000 0.948 204 R CB -0.183 30.281 30.300 0.273 0.000 1.099 204 R HN 0.579 nan 8.270 nan 0.000 0.483 205 M N 0.223 119.727 119.600 -0.160 0.000 2.407 205 M HA 0.485 4.965 4.480 -0.000 0.000 0.235 205 M C 0.078 176.033 176.300 -0.574 0.000 0.846 205 M CA -0.650 54.434 55.300 -0.360 0.000 1.540 205 M CB 1.276 33.651 32.600 -0.376 0.000 1.274 205 M HN 0.626 nan 8.290 nan 0.000 0.802 206 S N -1.619 113.619 115.700 -0.769 0.000 2.688 206 S HA 0.711 5.181 4.470 -0.000 0.000 0.269 206 S C -0.631 173.401 174.600 -0.947 0.000 1.060 206 S CA -0.448 57.214 58.200 -0.897 0.000 0.844 206 S CB 0.787 63.321 63.200 -1.110 0.000 1.095 206 S HN 1.619 nan 8.310 nan 0.000 0.466 207 G N 0.102 108.579 108.800 -0.537 0.000 2.422 207 G HA2 0.136 4.096 3.960 -0.000 0.000 0.607 207 G HA3 0.136 4.096 3.960 -0.000 0.000 0.607 207 G C -1.138 173.728 174.900 -0.055 0.000 1.270 207 G CA -0.549 44.544 45.100 -0.012 0.000 0.992 207 G HN 1.434 nan 8.290 nan 0.000 0.499 208 I N 2.063 122.440 120.570 -0.321 0.000 2.241 208 I HA 0.258 4.428 4.170 -0.000 0.000 0.294 208 I C 1.217 177.185 176.117 -0.248 0.000 1.145 208 I CA -0.249 60.789 61.300 -0.437 0.000 1.261 208 I CB -0.221 37.273 38.000 -0.844 0.000 1.475 208 I HN 0.488 nan 8.210 nan 0.000 0.533 209 F N 3.480 123.260 119.950 -0.285 0.000 2.765 209 F HA 0.432 4.958 4.527 -0.000 0.000 0.302 209 F C 0.586 176.293 175.800 -0.155 0.000 1.111 209 F CA -0.615 57.255 58.000 -0.218 0.000 1.359 209 F CB -0.192 38.688 39.000 -0.200 0.000 1.097 209 F HN 0.134 nan 8.300 nan 0.000 0.577 210 R N 0.862 120.959 120.500 -0.672 0.000 2.744 210 R HA 0.192 4.532 4.340 -0.000 0.000 0.279 210 R C -0.756 175.332 176.300 -0.353 0.000 0.977 210 R CA -1.078 54.722 56.100 -0.501 0.000 0.906 210 R CB 1.310 31.204 30.300 -0.676 0.000 1.197 210 R HN 0.014 nan 8.270 nan 0.000 0.463 211 D N 1.268 121.529 120.400 -0.231 0.000 2.749 211 D HA -0.065 4.575 4.640 -0.000 0.000 0.222 211 D C -0.294 175.857 176.300 -0.249 0.000 1.131 211 D CA 0.826 54.714 54.000 -0.187 0.000 0.845 211 D CB 0.511 41.248 40.800 -0.106 0.000 1.196 211 D HN -0.007 nan 8.370 nan 0.000 0.503 212 V N 1.804 121.574 119.914 -0.240 0.000 2.448 212 V HA 0.399 4.519 4.120 -0.000 0.000 0.295 212 V C 0.202 176.154 176.094 -0.236 0.000 1.025 212 V CA -0.461 61.621 62.300 -0.363 0.000 0.859 212 V CB 1.869 33.481 31.823 -0.351 0.000 0.988 212 V HN 0.522 nan 8.190 nan 0.000 0.431 213 S N 4.149 119.698 115.700 -0.252 0.000 2.671 213 S HA 0.835 5.305 4.470 -0.000 0.000 0.299 213 S C -1.251 173.294 174.600 -0.090 0.000 1.116 213 S CA -0.634 57.491 58.200 -0.125 0.000 0.912 213 S CB 2.097 65.260 63.200 -0.062 0.000 1.130 213 S HN 0.463 nan 8.310 nan 0.000 0.501 214 L N 2.249 123.483 121.223 0.018 0.000 2.404 214 L HA 0.643 4.983 4.340 -0.000 0.000 0.272 214 L C -1.550 175.507 176.870 0.311 0.000 0.980 214 L CA -0.392 54.535 54.840 0.145 0.000 0.836 214 L CB 1.429 43.547 42.059 0.098 0.000 1.238 214 L HN 0.600 nan 8.230 nan 0.000 0.408 215 L N 4.464 125.841 121.223 0.257 0.000 2.346 215 L HA 0.548 4.888 4.340 -0.000 0.000 0.276 215 L C -1.114 175.794 176.870 0.063 0.000 1.006 215 L CA -0.143 54.791 54.840 0.158 0.000 0.817 215 L CB 1.290 43.403 42.059 0.090 0.000 1.272 215 L HN 0.596 nan 8.230 nan 0.000 0.421 216 H N 5.184 124.055 119.070 -0.332 0.000 2.511 216 H HA 0.508 5.064 4.556 -0.000 0.000 0.328 216 H C -1.350 173.766 175.328 -0.354 0.000 1.044 216 H CA -0.562 55.166 56.048 -0.533 0.000 1.212 216 H CB 1.174 30.097 29.762 -1.398 0.000 1.428 216 H HN 0.564 nan 8.280 nan 0.000 0.483 217 K N 5.394 125.533 120.400 -0.434 0.000 2.328 217 K HA 0.385 4.705 4.320 -0.000 0.000 0.246 217 K C -2.704 173.728 176.600 -0.278 0.000 0.955 217 K CA -2.050 54.082 56.287 -0.259 0.000 0.817 217 K CB 2.078 34.447 32.500 -0.219 0.000 1.208 217 K HN 0.456 nan 8.250 nan 0.000 0.432 218 P HA 0.106 nan 4.420 nan 0.000 0.272 218 P C 0.623 177.862 177.300 -0.103 0.000 1.240 218 P CA -0.094 62.962 63.100 -0.073 0.000 0.791 218 P CB 0.516 32.194 31.700 -0.036 0.000 0.978 219 T N -0.749 113.766 114.554 -0.065 0.000 2.674 219 T HA -0.056 4.294 4.350 -0.000 0.000 0.265 219 T C 0.584 175.245 174.700 -0.065 0.000 1.039 219 T CA 1.552 63.615 62.100 -0.062 0.000 1.150 219 T CB -0.617 68.231 68.868 -0.032 0.000 0.864 219 T HN 0.409 nan 8.240 nan 0.000 0.427 220 T N 3.926 118.450 114.554 -0.050 0.000 2.739 220 T HA 0.359 4.709 4.350 -0.000 0.000 0.298 220 T C -0.118 174.540 174.700 -0.071 0.000 0.929 220 T CA -0.407 61.655 62.100 -0.065 0.000 1.014 220 T CB 0.257 69.104 68.868 -0.036 0.000 0.914 220 T HN 0.474 nan 8.240 nan 0.000 0.509 221 Q N 2.690 122.429 119.800 -0.101 0.000 2.587 221 Q HA 0.670 5.010 4.340 -0.000 0.000 0.293 221 Q C -0.948 174.978 176.000 -0.124 0.000 1.083 221 Q CA -1.205 54.525 55.803 -0.121 0.000 0.792 221 Q CB 1.538 30.181 28.738 -0.158 0.000 1.484 221 Q HN 0.434 nan 8.270 nan 0.000 0.446 222 I N 2.445 122.912 120.570 -0.173 0.000 2.301 222 I HA 0.079 4.249 4.170 -0.000 0.000 0.292 222 I C 0.526 176.505 176.117 -0.229 0.000 1.046 222 I CA -0.261 60.948 61.300 -0.151 0.000 1.282 222 I CB 1.249 39.122 38.000 -0.211 0.000 1.409 222 I HN 0.886 nan 8.210 nan 0.000 0.484 223 S N 2.714 118.382 115.700 -0.053 0.000 2.535 223 S HA 0.174 4.644 4.470 -0.000 0.000 0.214 223 S C 0.107 174.856 174.600 0.249 0.000 0.980 223 S CA -0.196 58.031 58.200 0.044 0.000 0.907 223 S CB 0.140 63.356 63.200 0.026 0.000 0.790 223 S HN 0.729 nan 8.310 nan 0.000 0.510 224 D N -0.392 120.167 120.400 0.265 0.000 2.842 224 D HA 0.443 5.083 4.640 -0.000 0.000 0.248 224 D C -1.916 174.486 176.300 0.171 0.000 1.140 224 D CA -0.653 53.489 54.000 0.236 0.000 0.728 224 D CB 1.008 41.823 40.800 0.026 0.000 1.595 224 D HN 0.181 nan 8.370 nan 0.000 0.450 225 F N 0.369 120.234 119.950 -0.141 0.000 2.615 225 F HA 0.626 5.153 4.527 -0.000 0.000 0.312 225 F C -1.585 174.061 175.800 -0.255 0.000 1.119 225 F CA -0.772 57.104 58.000 -0.208 0.000 0.979 225 F CB 1.487 40.474 39.000 -0.023 0.000 1.266 225 F HN 0.151 nan 8.300 nan 0.000 0.444 226 H N 2.912 122.012 119.070 0.051 0.000 2.505 226 H HA 0.643 5.199 4.556 -0.000 0.000 0.338 226 H C -0.941 174.404 175.328 0.029 0.000 1.057 226 H CA -1.050 54.974 56.048 -0.040 0.000 1.202 226 H CB 2.373 32.105 29.762 -0.050 0.000 1.466 226 H HN 0.639 nan 8.280 nan 0.000 0.499 227 V N 2.374 122.359 119.914 0.118 0.000 2.394 227 V HA 0.635 4.755 4.120 -0.000 0.000 0.282 227 V C 0.276 176.355 176.094 -0.025 0.000 1.031 227 V CA -0.618 61.714 62.300 0.052 0.000 0.881 227 V CB 1.208 33.056 31.823 0.041 0.000 0.982 227 V HN 0.952 nan 8.190 nan 0.000 0.451 228 A N 3.521 126.303 122.820 -0.064 0.000 2.435 228 A HA 0.941 5.261 4.320 -0.000 0.000 0.304 228 A C -0.186 177.284 177.584 -0.190 0.000 1.064 228 A CA -0.532 51.444 52.037 -0.101 0.000 0.727 228 A CB 2.060 21.021 19.000 -0.065 0.000 1.284 228 A HN 0.902 nan 8.150 nan 0.000 0.415 229 T N -0.062 114.352 114.554 -0.233 0.000 2.965 229 T HA 0.675 5.025 4.350 -0.000 0.000 0.306 229 T C -0.654 173.756 174.700 -0.483 0.000 0.991 229 T CA -0.652 61.203 62.100 -0.409 0.000 1.001 229 T CB 0.779 69.301 68.868 -0.577 0.000 0.984 229 T HN 0.678 nan 8.240 nan 0.000 0.446 230 R N 2.258 122.458 120.500 -0.500 0.000 2.514 230 R HA 0.754 5.094 4.340 -0.000 0.000 0.301 230 R C -1.039 174.935 176.300 -0.543 0.000 0.962 230 R CA -0.744 55.135 56.100 -0.369 0.000 0.882 230 R CB 1.390 31.599 30.300 -0.151 0.000 1.143 230 R HN 0.520 nan 8.270 nan 0.000 0.452 231 F N 0.252 120.147 119.950 -0.092 0.000 2.594 231 F HA 0.382 4.909 4.527 -0.000 0.000 0.335 231 F C 0.629 176.265 175.800 -0.273 0.000 1.058 231 F CA -1.399 56.484 58.000 -0.195 0.000 0.981 231 F CB 0.583 39.358 39.000 -0.376 0.000 1.289 231 F HN 0.491 nan 8.300 nan 0.000 0.490 232 N N -0.610 118.059 118.700 -0.051 0.000 2.405 232 N HA 0.134 4.874 4.740 -0.000 0.000 0.269 232 N C 0.348 175.724 175.510 -0.223 0.000 1.249 232 N CA -0.319 52.674 53.050 -0.095 0.000 0.974 232 N CB 0.105 38.569 38.487 -0.039 0.000 1.204 232 N HN 0.606 nan 8.380 nan 0.000 0.565 233 D N -1.302 119.022 120.400 -0.127 0.000 2.190 233 D HA -0.255 4.385 4.640 -0.000 0.000 0.200 233 D C 0.323 176.599 176.300 -0.041 0.000 0.992 233 D CA 1.568 55.507 54.000 -0.102 0.000 0.854 233 D CB -0.539 40.255 40.800 -0.011 0.000 0.936 233 D HN 0.774 nan 8.370 nan 0.000 0.462 234 D N -1.086 119.326 120.400 0.020 0.000 2.368 234 D HA -0.023 4.617 4.640 -0.000 0.000 0.218 234 D C 0.022 176.524 176.300 0.337 0.000 1.112 234 D CA -0.742 53.378 54.000 0.200 0.000 0.834 234 D CB -0.638 40.242 40.800 0.134 0.000 0.953 234 D HN 0.169 nan 8.370 nan 0.000 0.505 235 F N 1.136 121.119 119.950 0.055 0.000 3.093 235 F HA -0.286 4.241 4.527 -0.000 0.000 0.287 235 F C 1.744 177.595 175.800 0.085 0.000 0.882 235 F CA 0.783 58.819 58.000 0.059 0.000 1.063 235 F CB -2.639 36.293 39.000 -0.114 0.000 1.097 235 F HN 0.147 nan 8.300 nan 0.000 0.604 236 S N -1.743 114.058 115.700 0.168 0.000 2.458 236 S HA 0.205 4.675 4.470 -0.000 0.000 0.223 236 S C 0.843 175.494 174.600 0.085 0.000 1.019 236 S CA 0.124 58.392 58.200 0.112 0.000 0.937 236 S CB 0.461 63.705 63.200 0.074 0.000 0.788 236 S HN 0.454 nan 8.310 nan 0.000 0.511 237 R N 0.406 120.957 120.500 0.086 0.000 2.807 237 R HA 0.829 5.169 4.340 -0.000 0.000 0.276 237 R C -1.383 174.962 176.300 0.075 0.000 0.979 237 R CA -0.357 55.770 56.100 0.045 0.000 0.928 237 R CB 2.238 32.543 30.300 0.009 0.000 1.191 237 R HN 0.313 nan 8.270 nan 0.000 0.471 238 A N 1.274 124.089 122.820 -0.009 0.000 2.574 238 A HA 0.587 4.907 4.320 -0.000 0.000 0.297 238 A C -1.456 176.063 177.584 -0.109 0.000 1.062 238 A CA -0.606 51.357 52.037 -0.123 0.000 0.686 238 A CB 1.896 20.819 19.000 -0.128 0.000 1.285 238 A HN 0.343 nan 8.150 nan 0.000 0.403 239 V N 2.240 122.056 119.914 -0.163 0.000 2.409 239 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 239 V C -0.239 175.789 176.094 -0.109 0.000 1.020 239 V CA -0.379 61.861 62.300 -0.099 0.000 0.848 239 V CB 1.332 33.098 31.823 -0.095 0.000 0.990 239 V HN 0.818 nan 8.190 nan 0.000 0.430 240 L N 4.352 125.548 121.223 -0.046 0.000 2.276 240 L HA 0.582 4.921 4.340 -0.000 0.000 0.286 240 L C 0.044 176.873 176.870 -0.069 0.000 1.061 240 L CA 0.034 54.823 54.840 -0.086 0.000 0.807 240 L CB 1.070 43.105 42.059 -0.039 0.000 1.177 240 L HN 0.758 nan 8.230 nan 0.000 0.429 241 E N 4.107 124.260 120.200 -0.079 0.000 2.165 241 E HA 0.621 4.971 4.350 -0.000 0.000 0.266 241 E C -1.293 175.300 176.600 -0.012 0.000 0.889 241 E CA -0.700 55.675 56.400 -0.043 0.000 0.756 241 E CB 1.666 31.339 29.700 -0.046 0.000 1.131 241 E HN 0.703 nan 8.360 nan 0.000 0.411 242 A N 4.712 127.537 122.820 0.008 0.000 2.310 242 A HA 0.266 4.586 4.320 -0.000 0.000 0.304 242 A C -0.595 177.018 177.584 0.048 0.000 1.231 242 A CA -0.625 51.443 52.037 0.050 0.000 0.799 242 A CB 0.899 19.928 19.000 0.049 0.000 1.162 242 A HN 0.693 nan 8.150 nan 0.000 0.486 243 E N 2.727 122.973 120.200 0.077 0.000 2.167 243 E HA 0.498 4.848 4.350 -0.000 0.000 0.284 243 E C -1.223 175.404 176.600 0.046 0.000 1.016 243 E CA -0.240 56.193 56.400 0.055 0.000 0.817 243 E CB 0.989 30.745 29.700 0.093 0.000 1.080 243 E HN 0.393 nan 8.360 nan 0.000 0.397 244 V N 4.795 124.735 119.914 0.044 0.000 2.555 244 V HA 0.309 4.429 4.120 -0.000 0.000 0.302 244 V C -0.444 175.741 176.094 0.153 0.000 1.038 244 V CA -0.824 61.529 62.300 0.089 0.000 0.887 244 V CB 1.720 33.571 31.823 0.047 0.000 0.991 244 V HN 0.705 nan 8.190 nan 0.000 0.434 245 Q N 4.351 124.237 119.800 0.144 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.814 175.248 176.000 0.103 0.000 1.061 245 Q CA -0.832 55.047 55.803 0.128 0.000 0.816 245 Q CB 2.794 31.543 28.738 0.018 0.000 1.325 245 Q HN 0.847 nan 8.270 nan 0.000 0.446 246 M N -0.839 118.740 119.600 -0.035 0.000 2.727 246 M HA 0.853 5.333 4.480 -0.000 0.000 0.300 246 M C -1.270 174.915 176.300 -0.192 0.000 1.246 246 M CA -0.371 54.821 55.300 -0.181 0.000 0.835 246 M CB 1.810 34.086 32.600 -0.541 0.000 1.755 246 M HN 0.581 nan 8.290 nan 0.000 0.473 247 C N 0.002 119.197 119.300 -0.174 0.000 3.080 247 C HA 1.022 5.482 4.460 -0.000 0.000 0.307 247 C C 0.593 175.499 174.990 -0.140 0.000 1.311 247 C CA 0.388 59.328 59.018 -0.131 0.000 1.533 247 C CB 1.140 28.832 27.740 -0.079 0.000 1.970 247 C HN 1.445 nan 8.230 nan 0.000 0.467 248 G N 1.506 110.241 108.800 -0.108 0.000 2.472 248 G HA2 0.052 4.012 3.960 -0.000 0.000 0.205 248 G HA3 0.052 4.012 3.960 -0.000 0.000 0.205 248 G C -0.969 173.868 174.900 -0.105 0.000 1.270 248 G CA -0.266 44.779 45.100 -0.093 0.000 0.974 248 G HN 0.877 nan 8.290 nan 0.000 0.542 249 E N 0.007 120.155 120.200 -0.088 0.000 2.299 249 E HA 0.530 4.880 4.350 -0.000 0.000 0.272 249 E C 0.506 177.015 176.600 -0.151 0.000 1.043 249 E CA -0.189 56.157 56.400 -0.091 0.000 0.895 249 E CB 0.485 30.157 29.700 -0.046 0.000 1.011 249 E HN 0.532 nan 8.360 nan 0.000 0.432 250 L N 5.591 126.714 121.223 -0.166 0.000 2.305 250 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 250 L C 0.171 176.906 176.870 -0.226 0.000 1.085 250 L CA -0.365 54.344 54.840 -0.218 0.000 0.813 250 L CB 0.512 42.461 42.059 -0.184 0.000 1.157 250 L HN 0.439 nan 8.230 nan 0.000 0.436 251 R N 1.785 122.087 120.500 -0.330 0.000 2.668 251 R HA 0.198 4.538 4.340 -0.000 0.000 0.272 251 R C -0.258 175.788 176.300 -0.423 0.000 1.019 251 R CA -0.720 55.094 56.100 -0.475 0.000 0.894 251 R CB 1.574 31.261 30.300 -1.021 0.000 1.228 251 R HN 0.568 nan 8.270 nan 0.000 0.460 252 D N 0.636 120.875 120.400 -0.268 0.000 2.178 252 D HA -0.180 4.459 4.640 -0.000 0.000 0.201 252 D C 1.414 177.670 176.300 -0.073 0.000 0.980 252 D CA 1.466 55.400 54.000 -0.111 0.000 0.842 252 D CB -0.257 40.528 40.800 -0.024 0.000 0.948 252 D HN 0.651 nan 8.370 nan 0.000 0.472 253 Y N 0.495 120.809 120.300 0.023 0.000 2.680 253 Y HA 0.144 4.694 4.550 -0.000 0.000 0.303 253 Y C 0.362 176.268 175.900 0.010 0.000 1.166 253 Y CA -0.260 57.851 58.100 0.018 0.000 1.344 253 Y CB -1.104 37.367 38.460 0.019 0.000 1.002 253 Y HN -0.085 nan 8.280 nan 0.000 0.537 254 L N 2.690 123.859 121.223 -0.089 0.000 2.417 254 L HA 0.352 4.691 4.340 -0.000 0.000 0.268 254 L C 0.200 177.053 176.870 -0.029 0.000 1.158 254 L CA -0.160 54.689 54.840 0.015 0.000 0.819 254 L CB 0.647 42.733 42.059 0.044 0.000 1.112 254 L HN 0.191 nan 8.230 nan 0.000 0.458 255 R N 2.075 122.445 120.500 -0.217 0.000 2.739 255 R HA 0.669 5.009 4.340 -0.000 0.000 0.271 255 R C -1.642 174.305 176.300 -0.589 0.000 1.010 255 R CA -0.767 55.056 56.100 -0.463 0.000 0.897 255 R CB 2.286 32.234 30.300 -0.586 0.000 1.236 255 R HN 0.270 nan 8.270 nan 0.000 0.466 256 V N 0.936 120.572 119.914 -0.463 0.000 2.638 256 V HA 0.491 4.611 4.120 -0.000 0.000 0.306 256 V C -0.560 175.484 176.094 -0.084 0.000 1.052 256 V CA -0.577 61.550 62.300 -0.289 0.000 0.885 256 V CB 2.345 33.906 31.823 -0.435 0.000 0.999 256 V HN 0.750 nan 8.190 nan 0.000 0.424 257 T N 3.986 118.581 114.554 0.068 0.000 2.864 257 T HA 0.468 4.818 4.350 -0.000 0.000 0.299 257 T C -0.504 174.215 174.700 0.031 0.000 1.011 257 T CA -0.333 61.816 62.100 0.082 0.000 0.975 257 T CB 1.389 70.346 68.868 0.148 0.000 0.962 257 T HN 0.326 nan 8.240 nan 0.000 0.448 258 V N 4.324 124.237 119.914 -0.000 0.000 2.383 258 V HA 0.586 4.706 4.120 -0.000 0.000 0.275 258 V C 0.244 176.349 176.094 0.019 0.000 1.036 258 V CA -0.674 61.628 62.300 0.002 0.000 0.889 258 V CB 1.210 33.025 31.823 -0.013 0.000 0.985 258 V HN 1.014 nan 8.190 nan 0.000 0.459 259 S N 5.476 121.215 115.700 0.065 0.000 2.500 259 S HA 0.778 5.248 4.470 -0.000 0.000 0.301 259 S C -0.983 173.660 174.600 0.072 0.000 1.092 259 S CA -0.763 57.456 58.200 0.032 0.000 1.030 259 S CB 2.030 65.294 63.200 0.107 0.000 1.031 259 S HN 0.478 nan 8.310 nan 0.000 0.483 260 L N 2.924 124.109 121.223 -0.064 0.000 2.272 260 L HA 0.685 5.025 4.340 -0.000 0.000 0.289 260 L C -1.759 175.075 176.870 -0.060 0.000 1.032 260 L CA -0.440 54.444 54.840 0.072 0.000 0.810 260 L CB 0.272 42.399 42.059 0.113 0.000 1.205 260 L HN 0.841 nan 8.230 nan 0.000 0.422 261 W N 4.105 125.512 121.300 0.177 0.000 2.529 261 W HA 0.544 5.204 4.660 0.000 0.000 0.321 261 W C -0.430 176.151 176.519 0.103 0.000 1.047 261 W CA -0.543 56.873 57.345 0.117 0.000 1.216 261 W CB 1.390 30.872 29.460 0.036 0.000 1.357 261 W HN 0.407 nan 8.180 nan 0.000 0.489 262 Q N 3.074 122.984 119.800 0.184 0.000 2.506 262 Q HA 0.529 4.869 4.340 -0.000 0.000 0.242 262 Q C 0.603 176.608 176.000 0.008 0.000 1.060 262 Q CA 0.398 56.130 55.803 -0.118 0.000 0.826 262 Q CB 0.567 29.167 28.738 -0.230 0.000 1.169 262 Q HN 0.750 nan 8.270 nan 0.000 0.521 263 G N 3.359 112.178 108.800 0.032 0.000 2.561 263 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.289 263 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.289 263 G C 0.454 175.438 174.900 0.140 0.000 1.169 263 G CA 0.255 45.383 45.100 0.046 0.000 0.980 263 G HN 0.552 nan 8.290 nan 0.000 0.550 264 E N 1.319 121.594 120.200 0.126 0.000 2.442 264 E HA 0.136 4.486 4.350 -0.000 0.000 0.195 264 E C 1.293 178.097 176.600 0.340 0.000 1.030 264 E CA 0.925 57.437 56.400 0.187 0.000 0.869 264 E CB -0.045 29.710 29.700 0.092 0.000 0.857 264 E HN 0.486 nan 8.360 nan 0.000 0.505 265 T N 1.283 115.973 114.554 0.226 0.000 2.904 265 T HA 0.156 4.506 4.350 -0.000 0.000 0.290 265 T C 0.254 174.926 174.700 -0.048 0.000 1.018 265 T CA -0.237 61.922 62.100 0.098 0.000 1.075 265 T CB 1.497 70.377 68.868 0.020 0.000 0.986 265 T HN -0.072 nan 8.240 nan 0.000 0.523 266 Q N 2.512 122.086 119.800 -0.376 0.000 2.506 266 Q HA 0.309 4.649 4.340 -0.000 0.000 0.242 266 Q C 1.137 176.890 176.000 -0.411 0.000 1.060 266 Q CA -0.483 54.809 55.803 -0.852 0.000 0.826 266 Q CB 0.739 28.742 28.738 -1.225 0.000 1.169 266 Q HN 0.708 nan 8.270 nan 0.000 0.521 267 V N 0.831 120.602 119.914 -0.239 0.000 2.490 267 V HA 0.172 4.292 4.120 -0.000 0.000 0.250 267 V C 0.558 176.578 176.094 -0.124 0.000 1.061 267 V CA 1.428 63.668 62.300 -0.100 0.000 1.064 267 V CB -0.590 31.264 31.823 0.051 0.000 0.670 267 V HN 0.573 nan 8.190 nan 0.000 0.461 268 A N -1.379 121.338 122.820 -0.171 0.000 2.601 268 A HA 0.788 5.108 4.320 -0.000 0.000 0.291 268 A C -0.570 176.919 177.584 -0.159 0.000 1.075 268 A CA 0.193 52.150 52.037 -0.133 0.000 0.671 268 A CB 1.439 20.394 19.000 -0.074 0.000 1.277 268 A HN 1.012 nan 8.150 nan 0.000 0.417 269 S N -0.926 114.708 115.700 -0.111 0.000 2.560 269 S HA 0.696 5.166 4.470 -0.000 0.000 0.283 269 S C -0.619 173.949 174.600 -0.054 0.000 1.141 269 S CA 0.275 58.422 58.200 -0.089 0.000 0.902 269 S CB 1.294 64.426 63.200 -0.113 0.000 1.104 269 S HN 2.342 nan 8.310 nan 0.000 0.454 270 G N 1.914 110.693 108.800 -0.035 0.000 2.620 270 G HA2 0.689 4.649 3.960 -0.000 0.000 0.301 270 G HA3 0.689 4.649 3.960 -0.000 0.000 0.301 270 G C -1.246 173.644 174.900 -0.016 0.000 1.347 270 G CA -0.471 44.612 45.100 -0.028 0.000 0.971 270 G HN 0.725 nan 8.290 nan 0.000 0.488 271 T N -0.233 114.314 114.554 -0.012 0.000 2.900 271 T HA 0.859 5.209 4.350 -0.000 0.000 0.295 271 T C -0.364 174.315 174.700 -0.033 0.000 1.044 271 T CA -0.068 62.033 62.100 0.003 0.000 0.995 271 T CB 1.875 70.778 68.868 0.057 0.000 1.072 271 T HN 1.584 nan 8.240 nan 0.000 0.473 272 A N 3.173 125.945 122.820 -0.080 0.000 2.599 272 A HA 0.857 5.177 4.320 -0.000 0.000 0.294 272 A C -3.162 174.308 177.584 -0.189 0.000 1.055 272 A CA -1.421 50.552 52.037 -0.107 0.000 0.683 272 A CB 1.254 20.192 19.000 -0.103 0.000 1.278 272 A HN 0.538 nan 8.150 nan 0.000 0.412 273 P HA 0.564 nan 4.420 nan 0.000 0.281 273 P C -0.584 176.611 177.300 -0.175 0.000 1.264 273 P CA -0.288 62.721 63.100 -0.150 0.000 0.824 273 P CB 0.467 32.140 31.700 -0.045 0.000 1.092 274 F N 0.203 120.116 119.950 -0.061 0.000 2.545 274 F HA 0.411 4.937 4.527 -0.000 0.000 0.348 274 F C 1.605 177.390 175.800 -0.024 0.000 1.163 274 F CA 1.794 59.769 58.000 -0.041 0.000 1.331 274 F CB -0.103 38.865 39.000 -0.053 0.000 1.138 274 F HN 0.612 nan 8.300 nan 0.000 0.602 275 G N 1.527 110.452 108.800 0.208 0.000 2.594 275 G HA2 0.352 4.312 3.960 -0.000 0.000 0.422 275 G HA3 0.352 4.312 3.960 -0.000 0.000 0.422 275 G C -0.295 174.661 174.900 0.094 0.000 1.190 275 G CA -0.733 44.441 45.100 0.123 0.000 1.234 275 G HN 1.053 nan 8.290 nan 0.000 0.584 276 G N 0.880 109.757 108.800 0.128 0.000 2.611 276 G HA2 0.627 4.586 3.960 -0.000 0.000 0.273 276 G HA3 0.627 4.586 3.960 -0.000 0.000 0.273 276 G C 0.490 175.439 174.900 0.080 0.000 1.305 276 G CA 0.088 45.254 45.100 0.109 0.000 1.010 276 G HN 0.944 nan 8.290 nan 0.000 0.509 277 E N -0.596 119.646 120.200 0.070 0.000 2.371 277 E HA 0.137 4.487 4.350 -0.000 0.000 0.257 277 E C -0.024 176.608 176.600 0.054 0.000 1.134 277 E CA -0.573 55.857 56.400 0.048 0.000 0.919 277 E CB 1.008 30.729 29.700 0.035 0.000 1.025 277 E HN 0.323 nan 8.360 nan 0.000 0.438 278 I N 2.053 122.642 120.570 0.032 0.000 2.598 278 I HA -0.069 4.101 4.170 -0.000 0.000 0.284 278 I C 1.429 177.563 176.117 0.028 0.000 1.140 278 I CA 0.276 61.589 61.300 0.021 0.000 1.420 278 I CB 0.130 38.135 38.000 0.009 0.000 1.387 278 I HN 0.560 nan 8.210 nan 0.000 0.553 279 I N 1.893 122.480 120.570 0.028 0.000 4.139 279 I HA 0.298 4.468 4.170 -0.000 0.000 0.320 279 I C -0.161 175.966 176.117 0.016 0.000 1.290 279 I CA 0.027 61.350 61.300 0.039 0.000 1.253 279 I CB 0.481 38.535 38.000 0.090 0.000 1.122 279 I HN 0.609 nan 8.210 nan 0.000 0.421 280 D N -0.393 120.004 120.400 -0.005 0.000 2.768 280 D HA 0.153 4.792 4.640 -0.000 0.000 0.327 280 D C 0.176 176.464 176.300 -0.019 0.000 1.302 280 D CA -0.529 53.465 54.000 -0.010 0.000 0.897 280 D CB 0.691 41.484 40.800 -0.012 0.000 1.420 280 D HN -0.124 nan 8.370 nan 0.000 0.494 281 E N -0.992 119.198 120.200 -0.017 0.000 2.273 281 E HA -0.107 4.243 4.350 -0.000 0.000 0.198 281 E C 1.259 177.843 176.600 -0.027 0.000 1.002 281 E CA 1.045 57.434 56.400 -0.018 0.000 0.828 281 E CB -0.047 29.645 29.700 -0.014 0.000 0.747 281 E HN 0.216 nan 8.360 nan 0.000 0.491 282 R N -0.435 120.041 120.500 -0.040 0.000 2.317 282 R HA 0.266 4.606 4.340 -0.000 0.000 0.208 282 R C 0.940 177.203 176.300 -0.062 0.000 0.914 282 R CA 0.716 56.785 56.100 -0.052 0.000 1.060 282 R CB 0.420 30.680 30.300 -0.066 0.000 1.015 282 R HN 0.237 nan 8.270 nan 0.000 0.498 283 G N -0.591 108.176 108.800 -0.054 0.000 2.594 283 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 283 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 283 G C -0.119 174.745 174.900 -0.061 0.000 1.163 283 G CA -0.549 44.521 45.100 -0.049 0.000 1.074 283 G HN 0.560 nan 8.290 nan 0.000 0.589 284 G N -2.061 106.695 108.800 -0.073 0.000 2.788 284 G HA2 0.634 4.594 3.960 -0.000 0.000 0.293 284 G HA3 0.634 4.594 3.960 -0.000 0.000 0.293 284 G C -1.571 173.257 174.900 -0.119 0.000 1.392 284 G CA -0.548 44.514 45.100 -0.063 0.000 0.810 284 G HN 0.852 nan 8.290 nan 0.000 0.508 285 Y N 1.308 121.623 120.300 0.024 0.000 2.624 285 Y HA 0.387 4.937 4.550 -0.000 0.000 0.354 285 Y C 1.555 177.479 175.900 0.041 0.000 1.051 285 Y CA 0.424 58.542 58.100 0.029 0.000 1.377 285 Y CB 1.402 39.888 38.460 0.042 0.000 1.168 285 Y HN 0.574 nan 8.280 nan 0.000 0.525 286 A N 1.998 124.880 122.820 0.104 0.000 2.119 286 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 286 A C 1.370 179.009 177.584 0.091 0.000 1.153 286 A CA 1.178 53.264 52.037 0.082 0.000 0.692 286 A CB -0.249 18.760 19.000 0.015 0.000 0.799 286 A HN 0.772 nan 8.150 nan 0.000 0.458 287 D N -0.642 119.814 120.400 0.092 0.000 2.460 287 D HA 0.165 4.805 4.640 -0.000 0.000 0.229 287 D C 0.339 176.706 176.300 0.111 0.000 1.170 287 D CA -0.076 53.899 54.000 -0.042 0.000 0.827 287 D CB -0.063 40.699 40.800 -0.064 0.000 0.973 287 D HN 0.375 nan 8.370 nan 0.000 0.496 288 R N -1.091 119.618 120.500 0.347 0.000 2.764 288 R HA 0.711 5.050 4.340 -0.000 0.000 0.270 288 R C -1.797 174.687 176.300 0.306 0.000 1.014 288 R CA -1.111 55.208 56.100 0.364 0.000 0.904 288 R CB 2.776 33.164 30.300 0.147 0.000 1.236 288 R HN -0.012 nan 8.270 nan 0.000 0.466 289 V N 0.299 120.281 119.914 0.114 0.000 3.023 289 V HA 0.490 4.610 4.120 -0.000 0.000 0.294 289 V C -1.655 174.413 176.094 -0.043 0.000 1.324 289 V CA -0.271 62.007 62.300 -0.036 0.000 0.979 289 V CB 2.720 34.380 31.823 -0.272 0.000 1.093 289 V HN 0.823 nan 8.190 nan 0.000 0.434 290 T N 7.332 121.866 114.554 -0.033 0.000 2.792 290 T HA 0.628 4.978 4.350 -0.000 0.000 0.280 290 T C -0.963 173.715 174.700 -0.038 0.000 0.990 290 T CA -0.448 61.638 62.100 -0.023 0.000 0.960 290 T CB 1.173 70.038 68.868 -0.003 0.000 0.939 290 T HN 0.458 nan 8.240 nan 0.000 0.439 291 L N 3.474 124.675 121.223 -0.037 0.000 2.322 291 L HA 0.582 4.922 4.340 -0.000 0.000 0.279 291 L C 0.443 177.296 176.870 -0.029 0.000 1.036 291 L CA -0.443 54.374 54.840 -0.039 0.000 0.807 291 L CB 1.303 43.337 42.059 -0.042 0.000 1.226 291 L HN 0.568 nan 8.230 nan 0.000 0.433 292 R N 4.121 124.603 120.500 -0.031 0.000 2.435 292 R HA 0.629 4.969 4.340 -0.000 0.000 0.308 292 R C -1.106 175.175 176.300 -0.032 0.000 0.975 292 R CA -0.636 55.444 56.100 -0.032 0.000 0.867 292 R CB 1.896 32.177 30.300 -0.033 0.000 1.171 292 R HN 0.476 nan 8.270 nan 0.000 0.470 293 L N 2.494 123.700 121.223 -0.028 0.000 2.325 293 L HA 0.462 4.802 4.340 -0.000 0.000 0.278 293 L C 0.050 176.904 176.870 -0.026 0.000 1.023 293 L CA -1.142 53.682 54.840 -0.026 0.000 0.811 293 L CB 1.423 43.472 42.059 -0.017 0.000 1.249 293 L HN 0.446 nan 8.230 nan 0.000 0.431 294 N N 1.521 120.200 118.700 -0.035 0.000 2.509 294 N HA 0.515 5.255 4.740 -0.000 0.000 0.287 294 N C -0.940 174.537 175.510 -0.056 0.000 1.121 294 N CA -0.318 52.706 53.050 -0.042 0.000 0.977 294 N CB 2.596 41.059 38.487 -0.041 0.000 1.167 294 N HN 0.187 nan 8.380 nan 0.000 0.476 295 V N 1.607 121.474 119.914 -0.077 0.000 2.567 295 V HA 0.170 4.290 4.120 -0.000 0.000 0.298 295 V C -0.475 175.549 176.094 -0.118 0.000 1.047 295 V CA -0.837 61.378 62.300 -0.141 0.000 0.880 295 V CB 1.947 33.586 31.823 -0.307 0.000 1.009 295 V HN 0.485 nan 8.190 nan 0.000 0.429 296 E N 3.758 123.908 120.200 -0.083 0.000 2.266 296 E HA 0.348 4.697 4.350 -0.000 0.000 0.277 296 E C 0.044 176.618 176.600 -0.043 0.000 1.018 296 E CA -0.448 55.925 56.400 -0.045 0.000 0.840 296 E CB 0.761 30.444 29.700 -0.027 0.000 1.082 296 E HN 0.693 nan 8.360 nan 0.000 0.395 297 N N 1.549 120.244 118.700 -0.008 0.000 2.669 297 N HA -0.127 4.613 4.740 -0.000 0.000 0.266 297 N C -2.267 173.234 175.510 -0.014 0.000 1.024 297 N CA 0.414 53.471 53.050 0.012 0.000 0.766 297 N CB -1.255 37.241 38.487 0.015 0.000 0.898 297 N HN 0.362 nan 8.380 nan 0.000 0.548 298 P HA 0.121 nan 4.420 nan 0.000 0.274 298 P C -0.184 177.118 177.300 0.003 0.000 1.231 298 P CA -0.092 62.892 63.100 -0.192 0.000 0.790 298 P CB 0.992 32.366 31.700 -0.543 0.000 0.951 299 K N 2.307 122.791 120.400 0.139 0.000 2.262 299 K HA 0.279 4.599 4.320 -0.000 0.000 0.288 299 K C 0.228 176.981 176.600 0.255 0.000 1.090 299 K CA -0.342 56.064 56.287 0.198 0.000 0.918 299 K CB -0.076 32.570 32.500 0.243 0.000 1.139 299 K HN 0.403 nan 8.250 nan 0.000 0.462 300 L N 2.364 123.662 121.223 0.124 0.000 2.461 300 L HA 0.160 4.500 4.340 -0.000 0.000 0.272 300 L C 0.211 177.148 176.870 0.110 0.000 1.197 300 L CA -0.447 54.462 54.840 0.114 0.000 0.836 300 L CB 0.209 42.168 42.059 -0.166 0.000 1.105 300 L HN 0.591 nan 8.230 nan 0.000 0.477 301 W N 3.389 124.712 121.300 0.038 0.000 2.438 301 W HA 0.485 5.145 4.660 -0.000 0.000 0.324 301 W C -0.044 176.439 176.519 -0.060 0.000 1.119 301 W CA 0.095 57.459 57.345 0.032 0.000 1.221 301 W CB 1.345 30.879 29.460 0.124 0.000 1.253 301 W HN 0.650 nan 8.180 nan 0.000 0.555 302 S N 2.715 117.812 115.700 -1.005 0.000 2.636 302 S HA 0.606 5.075 4.470 -0.000 0.000 0.268 302 S C -0.068 173.730 174.600 -1.336 0.000 1.159 302 S CA -0.367 57.311 58.200 -0.870 0.000 0.815 302 S CB 1.004 64.006 63.200 -0.329 0.000 1.130 302 S HN 1.031 nan 8.310 nan 0.000 0.471 303 A N 0.216 122.422 122.820 -1.023 0.000 2.119 303 A HA 0.145 4.464 4.320 -0.000 0.000 0.217 303 A C 1.701 178.979 177.584 -0.510 0.000 1.153 303 A CA 1.224 52.701 52.037 -0.933 0.000 0.692 303 A CB -0.840 17.473 19.000 -1.146 0.000 0.799 303 A HN 0.842 nan 8.150 nan 0.000 0.458 304 E N -0.669 119.354 120.200 -0.295 0.000 2.051 304 E HA 0.080 4.430 4.350 -0.000 0.000 0.189 304 E C -0.256 176.212 176.600 -0.220 0.000 0.979 304 E CA 0.725 57.020 56.400 -0.175 0.000 0.803 304 E CB 0.049 29.780 29.700 0.052 0.000 0.761 304 E HN 0.580 nan 8.360 nan 0.000 0.451 305 I N 1.920 122.334 120.570 -0.260 0.000 2.542 305 I HA 0.157 4.327 4.170 -0.000 0.000 0.278 305 I C -2.421 173.478 176.117 -0.362 0.000 1.069 305 I CA -1.870 59.294 61.300 -0.227 0.000 1.100 305 I CB 2.166 40.085 38.000 -0.135 0.000 1.204 305 I HN -0.179 nan 8.210 nan 0.000 0.470 306 P HA 0.024 nan 4.420 nan 0.000 0.232 306 P C -0.608 176.719 177.300 0.045 0.000 1.738 306 P CA -0.162 62.689 63.100 -0.414 0.000 0.948 306 P CB -0.299 31.312 31.700 -0.149 0.000 1.943 307 N N 1.804 120.547 118.700 0.073 0.000 2.434 307 N HA 0.109 4.849 4.740 -0.000 0.000 0.268 307 N C 0.206 175.982 175.510 0.444 0.000 1.256 307 N CA 0.465 53.642 53.050 0.212 0.000 0.914 307 N CB 0.730 39.331 38.487 0.191 0.000 1.088 307 N HN 0.330 nan 8.380 nan 0.000 0.478 308 L N 2.386 123.803 121.223 0.324 0.000 2.323 308 L HA 0.523 4.863 4.340 -0.000 0.000 0.265 308 L C -0.709 176.335 176.870 0.289 0.000 1.012 308 L CA -0.894 54.175 54.840 0.381 0.000 0.820 308 L CB 1.152 43.376 42.059 0.274 0.000 1.334 308 L HN 0.356 nan 8.230 nan 0.000 0.427 309 Y N -0.070 120.376 120.300 0.244 0.000 2.662 309 Y HA 0.631 5.181 4.550 -0.000 0.000 0.335 309 Y C -0.341 175.676 175.900 0.195 0.000 1.066 309 Y CA -0.971 57.277 58.100 0.246 0.000 1.116 309 Y CB 1.711 40.386 38.460 0.359 0.000 1.308 309 Y HN 0.350 nan 8.280 nan 0.000 0.502 310 R N 1.104 121.830 120.500 0.376 0.000 2.439 310 R HA 0.798 5.138 4.340 -0.000 0.000 0.310 310 R C -1.616 174.866 176.300 0.304 0.000 0.955 310 R CA -0.582 55.675 56.100 0.262 0.000 0.853 310 R CB 0.986 31.384 30.300 0.164 0.000 1.171 310 R HN 0.724 nan 8.270 nan 0.000 0.449 311 A N 4.005 126.951 122.820 0.209 0.000 2.260 311 A HA 0.584 4.904 4.320 -0.000 0.000 0.314 311 A C -0.986 176.661 177.584 0.106 0.000 1.257 311 A CA -0.616 51.525 52.037 0.173 0.000 0.871 311 A CB 1.096 20.171 19.000 0.125 0.000 1.166 311 A HN 0.482 nan 8.150 nan 0.000 0.522 312 V N 4.120 124.104 119.914 0.117 0.000 2.378 312 V HA 0.288 4.408 4.120 -0.000 0.000 0.288 312 V C -0.242 175.836 176.094 -0.027 0.000 1.016 312 V CA -0.500 61.812 62.300 0.019 0.000 0.840 312 V CB 1.495 33.334 31.823 0.027 0.000 0.994 312 V HN 0.619 nan 8.190 nan 0.000 0.431 313 V N 5.049 124.873 119.914 -0.150 0.000 2.364 313 V HA 0.381 4.501 4.120 -0.000 0.000 0.272 313 V C 0.108 176.143 176.094 -0.098 0.000 1.036 313 V CA -0.490 61.699 62.300 -0.185 0.000 0.880 313 V CB 1.023 32.578 31.823 -0.446 0.000 0.991 313 V HN 0.904 nan 8.190 nan 0.000 0.460 314 E N 3.977 124.170 120.200 -0.012 0.000 2.145 314 E HA 0.474 4.824 4.350 -0.000 0.000 0.270 314 E C -1.004 175.669 176.600 0.122 0.000 0.906 314 E CA -0.833 55.607 56.400 0.066 0.000 0.761 314 E CB 2.289 32.055 29.700 0.111 0.000 1.116 314 E HN 0.485 nan 8.360 nan 0.000 0.408 315 L N 4.990 126.266 121.223 0.088 0.000 2.257 315 L HA 0.371 4.711 4.340 -0.000 0.000 0.290 315 L C -0.898 176.053 176.870 0.134 0.000 1.044 315 L CA 0.143 55.027 54.840 0.074 0.000 0.810 315 L CB -0.264 41.833 42.059 0.063 0.000 1.193 315 L HN 0.676 nan 8.230 nan 0.000 0.425 316 H N 0.483 119.593 119.070 0.067 0.000 3.015 316 H HA 0.856 5.412 4.556 -0.000 0.000 0.282 316 H C -0.782 174.619 175.328 0.122 0.000 1.508 316 H CA -0.453 55.639 56.048 0.074 0.000 1.209 316 H CB 0.772 30.559 29.762 0.041 0.000 1.869 316 H HN 0.434 nan 8.280 nan 0.000 0.591 317 T N -2.329 112.377 114.554 0.253 0.000 2.945 317 T HA 0.576 4.926 4.350 -0.000 0.000 0.286 317 T C 1.327 176.197 174.700 0.283 0.000 1.025 317 T CA -0.448 61.793 62.100 0.235 0.000 1.039 317 T CB 1.673 70.638 68.868 0.161 0.000 1.068 317 T HN 0.926 nan 8.240 nan 0.000 0.497 318 A N 1.410 124.351 122.820 0.202 0.000 1.978 318 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 318 A C 1.764 179.434 177.584 0.142 0.000 1.170 318 A CA 1.875 54.014 52.037 0.170 0.000 0.636 318 A CB -1.148 17.930 19.000 0.129 0.000 0.810 318 A HN 0.990 nan 8.150 nan 0.000 0.448 319 D N -1.998 118.464 120.400 0.103 0.000 2.352 319 D HA 0.281 4.921 4.640 -0.000 0.000 0.232 319 D C 1.090 177.421 176.300 0.052 0.000 1.055 319 D CA 0.906 54.938 54.000 0.054 0.000 0.891 319 D CB -0.726 40.081 40.800 0.011 0.000 0.897 319 D HN 0.819 nan 8.370 nan 0.000 0.529 320 G N -0.915 107.943 108.800 0.097 0.000 2.157 320 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.239 320 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.239 320 G C 0.248 175.159 174.900 0.019 0.000 0.982 320 G CA 0.208 45.322 45.100 0.024 0.000 0.650 320 G HN 0.445 nan 8.290 nan 0.000 0.527 321 T N 1.628 116.231 114.554 0.081 0.000 2.749 321 T HA 0.503 4.853 4.350 -0.000 0.000 0.295 321 T C 0.344 175.114 174.700 0.117 0.000 0.936 321 T CA -0.257 61.881 62.100 0.063 0.000 1.060 321 T CB 1.918 70.810 68.868 0.039 0.000 0.904 321 T HN 0.596 nan 8.240 nan 0.000 0.500 322 L N 4.706 125.971 121.223 0.071 0.000 2.410 322 L HA 0.327 4.667 4.340 -0.000 0.000 0.273 322 L C 0.689 177.611 176.870 0.087 0.000 1.152 322 L CA 0.404 55.300 54.840 0.094 0.000 0.855 322 L CB 0.032 42.114 42.059 0.038 0.000 1.129 322 L HN 0.715 nan 8.230 nan 0.000 0.463 323 I N 2.486 123.118 120.570 0.103 0.000 3.039 323 I HA 0.209 4.379 4.170 -0.000 0.000 0.270 323 I C 0.304 176.444 176.117 0.039 0.000 1.150 323 I CA 0.314 61.655 61.300 0.068 0.000 1.448 323 I CB 0.287 38.333 38.000 0.076 0.000 1.197 323 I HN 0.813 nan 8.210 nan 0.000 0.450 324 E N 0.446 120.671 120.200 0.041 0.000 2.389 324 E HA 0.594 4.944 4.350 -0.000 0.000 0.281 324 E C -1.957 174.660 176.600 0.027 0.000 1.111 324 E CA -0.800 55.612 56.400 0.020 0.000 0.869 324 E CB 1.446 31.125 29.700 -0.035 0.000 1.259 324 E HN -0.010 nan 8.360 nan 0.000 0.434 325 A N 2.310 125.164 122.820 0.058 0.000 2.486 325 A HA 0.726 5.046 4.320 -0.000 0.000 0.300 325 A C -1.177 176.493 177.584 0.143 0.000 1.048 325 A CA -0.713 51.361 52.037 0.062 0.000 0.696 325 A CB 1.896 20.933 19.000 0.062 0.000 1.278 325 A HN 0.499 nan 8.150 nan 0.000 0.405 326 E N -0.193 120.021 120.200 0.023 0.000 2.336 326 E HA 0.833 5.183 4.350 -0.000 0.000 0.267 326 E C -0.450 176.156 176.600 0.011 0.000 0.906 326 E CA -0.478 55.971 56.400 0.082 0.000 0.781 326 E CB 2.452 32.050 29.700 -0.171 0.000 1.261 326 E HN 1.149 nan 8.360 nan 0.000 0.436 327 A N 0.065 123.022 122.820 0.228 0.000 2.581 327 A HA 0.803 5.122 4.320 -0.000 0.000 0.290 327 A C -1.189 176.579 177.584 0.308 0.000 1.119 327 A CA -0.345 51.774 52.037 0.136 0.000 0.670 327 A CB 0.980 20.002 19.000 0.037 0.000 1.280 327 A HN 0.904 nan 8.150 nan 0.000 0.425 328 C N -0.659 118.780 119.300 0.233 0.000 3.307 328 C HA 0.731 5.191 4.460 -0.000 0.000 0.333 328 C C -1.583 173.498 174.990 0.151 0.000 1.291 328 C CA -0.977 58.176 59.018 0.224 0.000 1.273 328 C CB 0.910 28.812 27.740 0.270 0.000 1.580 328 C HN 0.834 nan 8.230 nan 0.000 0.481 329 D N 1.175 121.646 120.400 0.117 0.000 2.302 329 D HA 0.524 5.164 4.640 -0.000 0.000 0.248 329 D C -0.286 176.060 176.300 0.076 0.000 1.094 329 D CA 0.183 54.254 54.000 0.119 0.000 0.897 329 D CB 1.898 42.771 40.800 0.122 0.000 1.200 329 D HN 0.557 nan 8.370 nan 0.000 0.429 330 V N 0.758 120.740 119.914 0.115 0.000 2.604 330 V HA 0.654 4.773 4.120 -0.000 0.000 0.305 330 V C 0.538 176.675 176.094 0.071 0.000 1.043 330 V CA -0.834 61.472 62.300 0.011 0.000 0.888 330 V CB 2.078 33.872 31.823 -0.048 0.000 0.995 330 V HN 0.641 nan 8.190 nan 0.000 0.429 331 G N 2.984 111.733 108.800 -0.084 0.000 2.605 331 G HA2 0.595 4.555 3.960 -0.000 0.000 0.304 331 G HA3 0.595 4.555 3.960 -0.000 0.000 0.304 331 G C -0.935 174.036 174.900 0.119 0.000 1.333 331 G CA -0.399 44.744 45.100 0.072 0.000 0.973 331 G HN 0.420 nan 8.290 nan 0.000 0.507 332 F N 3.763 123.878 119.950 0.275 0.000 2.487 332 F HA 0.357 4.884 4.527 -0.000 0.000 0.364 332 F C 1.267 177.352 175.800 0.475 0.000 1.126 332 F CA -0.022 58.212 58.000 0.390 0.000 1.135 332 F CB 0.530 39.758 39.000 0.380 0.000 1.127 332 F HN 0.443 nan 8.300 nan 0.000 0.559 333 R N 3.098 123.961 120.500 0.605 0.000 2.643 333 R HA 0.427 4.767 4.340 -0.000 0.000 0.269 333 R C -1.773 174.771 176.300 0.407 0.000 1.037 333 R CA -0.784 55.534 56.100 0.364 0.000 0.894 333 R CB 1.854 32.395 30.300 0.402 0.000 1.238 333 R HN 0.585 nan 8.270 nan 0.000 0.459 334 E N 2.876 123.228 120.200 0.254 0.000 2.165 334 E HA 0.378 4.728 4.350 -0.000 0.000 0.266 334 E C -1.297 175.427 176.600 0.207 0.000 0.889 334 E CA -0.827 55.777 56.400 0.341 0.000 0.756 334 E CB 2.093 32.053 29.700 0.435 0.000 1.131 334 E HN 0.416 nan 8.360 nan 0.000 0.411 335 V N 5.807 125.820 119.914 0.165 0.000 2.384 335 V HA 0.554 4.674 4.120 -0.000 0.000 0.287 335 V C -0.227 175.924 176.094 0.094 0.000 1.020 335 V CA -0.569 61.792 62.300 0.102 0.000 0.850 335 V CB 1.195 33.056 31.823 0.062 0.000 0.987 335 V HN 0.709 nan 8.190 nan 0.000 0.436 336 R N 4.401 124.950 120.500 0.082 0.000 2.594 336 R HA 0.636 4.976 4.340 -0.000 0.000 0.265 336 R C -1.983 174.351 176.300 0.056 0.000 1.070 336 R CA -0.860 55.285 56.100 0.075 0.000 0.909 336 R CB 1.580 31.937 30.300 0.094 0.000 1.243 336 R HN 0.522 nan 8.270 nan 0.000 0.455 337 I N 2.401 123.001 120.570 0.050 0.000 2.304 337 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 337 I C -0.260 175.881 176.117 0.041 0.000 1.018 337 I CA -0.180 61.142 61.300 0.037 0.000 1.260 337 I CB 1.382 39.405 38.000 0.038 0.000 1.390 337 I HN 0.674 nan 8.210 nan 0.000 0.475 338 E N 6.597 126.818 120.200 0.035 0.000 2.246 338 E HA 0.211 4.561 4.350 -0.000 0.000 0.266 338 E C -0.291 176.325 176.600 0.026 0.000 0.880 338 E CA -0.653 55.769 56.400 0.036 0.000 0.762 338 E CB 1.169 30.896 29.700 0.046 0.000 1.180 338 E HN 0.573 nan 8.360 nan 0.000 0.416 339 N N 3.239 121.954 118.700 0.024 0.000 2.740 339 N HA -0.231 4.508 4.740 -0.000 0.000 0.248 339 N C 0.492 176.009 175.510 0.012 0.000 1.062 339 N CA 2.014 55.075 53.050 0.018 0.000 0.704 339 N CB -1.210 37.287 38.487 0.017 0.000 0.968 339 N HN 0.982 nan 8.380 nan 0.000 0.547 340 G N -2.107 106.701 108.800 0.013 0.000 2.179 340 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 340 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 340 G C -0.027 174.870 174.900 -0.004 0.000 0.977 340 G CA 0.566 45.670 45.100 0.006 0.000 0.641 340 G HN 0.473 nan 8.290 nan 0.000 0.533 341 L N 0.159 121.380 121.223 -0.003 0.000 2.346 341 L HA 0.684 5.024 4.340 -0.000 0.000 0.274 341 L C 0.083 176.945 176.870 -0.013 0.000 1.007 341 L CA -1.320 53.510 54.840 -0.016 0.000 0.818 341 L CB 1.816 43.865 42.059 -0.017 0.000 1.284 341 L HN 0.086 nan 8.230 nan 0.000 0.424 342 L N 4.534 125.737 121.223 -0.033 0.000 2.325 342 L HA 0.374 4.714 4.340 -0.000 0.000 0.284 342 L C -0.705 176.145 176.870 -0.033 0.000 1.089 342 L CA 0.379 55.200 54.840 -0.032 0.000 0.836 342 L CB 0.164 42.188 42.059 -0.057 0.000 1.184 342 L HN 0.369 nan 8.230 nan 0.000 0.444 343 L N 6.049 127.272 121.223 -0.000 0.000 2.307 343 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 343 L C -0.597 176.292 176.870 0.032 0.000 1.023 343 L CA -0.656 54.194 54.840 0.018 0.000 0.810 343 L CB 1.729 43.821 42.059 0.054 0.000 1.231 343 L HN 0.458 nan 8.230 nan 0.000 0.423 344 L N 5.208 126.455 121.223 0.041 0.000 2.316 344 L HA 0.400 4.740 4.340 -0.000 0.000 0.280 344 L C -0.366 176.560 176.870 0.094 0.000 1.006 344 L CA -0.066 54.819 54.840 0.076 0.000 0.836 344 L CB 0.892 42.988 42.059 0.062 0.000 1.221 344 L HN 0.773 nan 8.230 nan 0.000 0.418 345 N N 4.281 122.955 118.700 -0.043 0.000 2.738 345 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 345 N C 1.099 176.340 175.510 -0.449 0.000 1.047 345 N CA 1.196 53.947 53.050 -0.498 0.000 0.707 345 N CB -1.161 36.886 38.487 -0.734 0.000 0.937 345 N HN 1.120 nan 8.380 nan 0.000 0.545 346 G N -1.925 106.881 108.800 0.009 0.000 2.284 346 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 346 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 346 G C 0.052 174.982 174.900 0.050 0.000 0.997 346 G CA 1.014 46.176 45.100 0.103 0.000 0.621 346 G HN 0.401 nan 8.290 nan 0.000 0.534 347 K N 1.299 121.720 120.400 0.036 0.000 2.164 347 K HA 0.515 4.835 4.320 -0.000 0.000 0.258 347 K C -2.594 173.984 176.600 -0.037 0.000 0.951 347 K CA -2.432 53.841 56.287 -0.022 0.000 0.844 347 K CB 2.097 34.520 32.500 -0.129 0.000 1.099 347 K HN 0.152 nan 8.250 nan 0.000 0.435 348 P HA 0.164 nan 4.420 nan 0.000 0.276 348 P C -0.160 177.076 177.300 -0.107 0.000 1.264 348 P CA -0.168 62.889 63.100 -0.071 0.000 0.769 348 P CB 0.531 32.194 31.700 -0.063 0.000 0.840 349 L N 3.679 124.831 121.223 -0.118 0.000 2.472 349 L HA 0.293 4.633 4.340 -0.000 0.000 0.260 349 L C 0.762 177.537 176.870 -0.157 0.000 1.209 349 L CA -0.554 54.199 54.840 -0.145 0.000 0.817 349 L CB 0.235 42.167 42.059 -0.212 0.000 1.106 349 L HN 0.287 nan 8.230 nan 0.000 0.479 350 L N 3.032 124.169 121.223 -0.144 0.000 2.492 350 L HA 0.381 4.720 4.340 -0.000 0.000 0.258 350 L C -0.518 176.264 176.870 -0.146 0.000 1.028 350 L CA -0.235 54.496 54.840 -0.181 0.000 0.900 350 L CB 0.771 42.754 42.059 -0.126 0.000 1.191 350 L HN 0.241 nan 8.230 nan 0.000 0.459 351 I N 4.309 124.731 120.570 -0.246 0.000 2.576 351 I HA 0.080 4.250 4.170 -0.000 0.000 0.288 351 I C 0.719 176.734 176.117 -0.169 0.000 1.126 351 I CA 0.519 61.680 61.300 -0.231 0.000 1.362 351 I CB -0.164 37.598 38.000 -0.396 0.000 1.419 351 I HN 0.534 nan 8.210 nan 0.000 0.533 352 R N 4.882 125.386 120.500 0.008 0.000 3.171 352 R HA 0.425 4.765 4.340 -0.000 0.000 0.241 352 R C 0.624 176.970 176.300 0.076 0.000 1.421 352 R CA -0.254 55.907 56.100 0.103 0.000 1.444 352 R CB 0.634 30.839 30.300 -0.158 0.000 1.247 352 R HN 0.749 nan 8.270 nan 0.000 0.636 353 G N 0.010 108.801 108.800 -0.016 0.000 2.667 353 G HA2 0.618 4.578 3.960 -0.000 0.000 0.310 353 G HA3 0.618 4.578 3.960 -0.000 0.000 0.310 353 G C -1.311 173.837 174.900 0.414 0.000 1.259 353 G CA -0.459 44.650 45.100 0.015 0.000 1.019 353 G HN 0.212 nan 8.290 nan 0.000 0.496 354 V N -0.384 119.784 119.914 0.424 0.000 3.048 354 V HA 0.469 4.589 4.120 -0.000 0.000 0.303 354 V C -1.338 174.891 176.094 0.225 0.000 1.214 354 V CA -1.199 61.280 62.300 0.299 0.000 0.984 354 V CB 2.268 34.028 31.823 -0.105 0.000 1.054 354 V HN 0.760 nan 8.190 nan 0.000 0.430 355 N N 4.037 122.787 118.700 0.083 0.000 2.518 355 N HA 0.455 5.195 4.740 -0.000 0.000 0.283 355 N C -0.729 174.577 175.510 -0.340 0.000 1.119 355 N CA -0.323 52.635 53.050 -0.154 0.000 0.983 355 N CB 1.530 39.890 38.487 -0.212 0.000 1.139 355 N HN 0.634 nan 8.380 nan 0.000 0.465 356 R N 2.036 122.300 120.500 -0.394 0.000 2.500 356 R HA 0.183 4.523 4.340 -0.000 0.000 0.299 356 R C -1.046 175.015 176.300 -0.399 0.000 1.038 356 R CA -0.543 55.345 56.100 -0.353 0.000 0.903 356 R CB 0.595 30.669 30.300 -0.377 0.000 1.177 356 R HN 0.583 nan 8.270 nan 0.000 0.455 357 H N 2.325 121.234 119.070 -0.269 0.000 2.562 357 H HA 0.104 4.660 4.556 0.000 0.000 0.352 357 H C -0.402 174.919 175.328 -0.012 0.000 1.125 357 H CA 0.234 56.220 56.048 -0.104 0.000 1.379 357 H CB 1.357 31.104 29.762 -0.025 0.000 1.464 357 H HN 0.562 nan 8.280 nan 0.000 0.563 358 E N 2.747 123.111 120.200 0.274 0.000 1.932 358 E HA 0.063 4.413 4.350 -0.000 0.000 0.275 358 E C -0.526 176.215 176.600 0.235 0.000 1.159 358 E CA 0.025 56.521 56.400 0.160 0.000 0.905 358 E CB 0.248 30.051 29.700 0.172 0.000 1.059 358 E HN 0.409 nan 8.360 nan 0.000 0.400 359 H N 1.711 120.827 119.070 0.077 0.000 2.759 359 H HA 0.242 4.798 4.556 -0.000 0.000 0.354 359 H C -1.521 173.832 175.328 0.043 0.000 1.074 359 H CA -0.660 55.424 56.048 0.060 0.000 1.226 359 H CB 1.120 30.904 29.762 0.038 0.000 1.648 359 H HN 0.387 nan 8.280 nan 0.000 0.529 360 H N 6.337 125.065 119.070 -0.570 0.000 2.609 360 H HA 0.210 4.766 4.556 -0.000 0.000 0.344 360 H C -2.201 172.765 175.328 -0.604 0.000 1.040 360 H CA -2.443 53.354 56.048 -0.418 0.000 1.216 360 H CB 2.655 32.275 29.762 -0.237 0.000 1.529 360 H HN 0.570 nan 8.280 nan 0.000 0.519 361 P HA -0.082 nan 4.420 nan 0.000 0.223 361 P C 0.869 178.109 177.300 -0.101 0.000 1.144 361 P CA 0.890 63.856 63.100 -0.223 0.000 0.783 361 P CB 0.833 32.425 31.700 -0.181 0.000 0.771 362 L N -2.449 118.859 121.223 0.142 0.000 2.730 362 L HA 0.205 4.545 4.340 -0.000 0.000 0.236 362 L C 2.111 179.020 176.870 0.065 0.000 1.061 362 L CA 0.172 55.045 54.840 0.056 0.000 0.898 362 L CB -0.398 41.678 42.059 0.029 0.000 1.270 362 L HN -0.037 nan 8.230 nan 0.000 0.500 363 H N -0.061 118.920 119.070 -0.149 0.000 2.529 363 H HA 0.271 4.826 4.556 -0.000 0.000 0.277 363 H C 1.434 176.633 175.328 -0.215 0.000 1.004 363 H CA 0.055 55.934 56.048 -0.281 0.000 1.167 363 H CB 0.557 30.008 29.762 -0.518 0.000 1.445 363 H HN 0.394 nan 8.280 nan 0.000 0.554 364 G N 1.817 110.536 108.800 -0.134 0.000 2.543 364 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.286 364 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.286 364 G C 0.404 175.199 174.900 -0.174 0.000 1.153 364 G CA 0.227 45.187 45.100 -0.234 0.000 0.968 364 G HN 0.480 nan 8.290 nan 0.000 0.544 365 Q N 0.047 119.776 119.800 -0.118 0.000 2.206 365 Q HA 0.518 4.858 4.340 -0.000 0.000 0.265 365 Q C -0.340 175.729 176.000 0.115 0.000 0.866 365 Q CA -0.210 55.574 55.803 -0.031 0.000 1.073 365 Q CB 1.566 30.207 28.738 -0.161 0.000 1.165 365 Q HN 0.358 nan 8.270 nan 0.000 0.465 366 V N 1.801 121.772 119.914 0.095 0.000 2.350 366 V HA 0.300 4.420 4.120 -0.000 0.000 0.276 366 V C 0.079 176.240 176.094 0.111 0.000 1.028 366 V CA -0.395 61.981 62.300 0.126 0.000 0.860 366 V CB 1.119 32.955 31.823 0.023 0.000 0.990 366 V HN 0.415 nan 8.190 nan 0.000 0.453 367 M N 5.064 124.735 119.600 0.119 0.000 2.342 367 M HA 0.507 4.987 4.480 -0.000 0.000 0.332 367 M C -0.302 175.994 176.300 -0.008 0.000 1.166 367 M CA -0.239 55.094 55.300 0.055 0.000 1.086 367 M CB 1.536 34.132 32.600 -0.006 0.000 1.541 367 M HN 0.839 nan 8.290 nan 0.000 0.462 368 D N -0.062 120.338 120.400 0.000 0.000 2.661 368 D HA 0.187 4.826 4.640 -0.000 0.000 0.228 368 D C 0.068 176.373 176.300 0.008 0.000 1.183 368 D CA -0.479 53.524 54.000 0.005 0.000 0.844 368 D CB 1.647 42.493 40.800 0.078 0.000 1.555 368 D HN 0.693 nan 8.370 nan 0.000 0.453 369 E N 0.603 120.812 120.200 0.015 0.000 2.086 369 E HA -0.314 4.036 4.350 -0.000 0.000 0.200 369 E C 1.691 178.336 176.600 0.075 0.000 1.012 369 E CA 1.706 58.136 56.400 0.049 0.000 0.812 369 E CB 0.183 29.926 29.700 0.073 0.000 0.743 369 E HN 0.535 nan 8.360 nan 0.000 0.453 370 Q N -0.589 119.261 119.800 0.083 0.000 2.061 370 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 370 Q C 2.144 178.201 176.000 0.095 0.000 0.984 370 Q CA 2.356 58.212 55.803 0.088 0.000 0.846 370 Q CB -0.037 28.757 28.738 0.093 0.000 0.902 370 Q HN 0.293 nan 8.270 nan 0.000 0.421 371 T N 0.632 115.255 114.554 0.115 0.000 2.746 371 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 371 T C 1.767 176.547 174.700 0.134 0.000 1.039 371 T CA 1.421 63.594 62.100 0.122 0.000 1.142 371 T CB -0.126 68.837 68.868 0.160 0.000 0.866 371 T HN 0.281 nan 8.240 nan 0.000 0.444 372 M N 0.558 120.247 119.600 0.149 0.000 2.066 372 M HA -0.107 4.373 4.480 -0.000 0.000 0.259 372 M C 2.514 178.905 176.300 0.152 0.000 1.074 372 M CA 1.491 56.945 55.300 0.258 0.000 1.114 372 M CB -0.803 31.970 32.600 0.289 0.000 1.306 372 M HN 0.081 nan 8.290 nan 0.000 0.411 373 V N 0.523 120.458 119.914 0.035 0.000 2.324 373 V HA -0.334 3.786 4.120 -0.000 0.000 0.250 373 V C 2.355 178.401 176.094 -0.081 0.000 1.060 373 V CA 2.306 64.539 62.300 -0.110 0.000 1.042 373 V CB -1.118 30.683 31.823 -0.037 0.000 0.650 373 V HN 0.583 nan 8.190 nan 0.000 0.450 374 Q N 0.039 119.856 119.800 0.029 0.000 1.975 374 Q HA -0.285 4.055 4.340 -0.000 0.000 0.205 374 Q C 2.083 178.147 176.000 0.107 0.000 0.990 374 Q CA 2.386 58.230 55.803 0.068 0.000 0.845 374 Q CB -0.269 28.524 28.738 0.091 0.000 0.913 374 Q HN 0.622 nan 8.270 nan 0.000 0.420 375 D N 0.530 121.034 120.400 0.173 0.000 2.126 375 D HA -0.204 4.435 4.640 -0.000 0.000 0.190 375 D C 2.002 178.296 176.300 -0.010 0.000 1.001 375 D CA 1.573 55.724 54.000 0.250 0.000 0.841 375 D CB -0.384 40.577 40.800 0.269 0.000 0.949 375 D HN 0.400 nan 8.370 nan 0.000 0.446 376 I N 0.657 121.178 120.570 -0.083 0.000 2.194 376 I HA -0.272 3.898 4.170 -0.000 0.000 0.246 376 I C 2.502 178.486 176.117 -0.221 0.000 1.093 376 I CA 0.782 61.921 61.300 -0.268 0.000 1.355 376 I CB -0.236 37.463 38.000 -0.501 0.000 1.046 376 I HN 0.031 nan 8.210 nan 0.000 0.413 377 L N 0.054 121.194 121.223 -0.138 0.000 2.027 377 L HA -0.221 4.119 4.340 -0.000 0.000 0.206 377 L C 2.609 179.541 176.870 0.104 0.000 1.074 377 L CA 1.360 56.211 54.840 0.018 0.000 0.745 377 L CB -0.595 41.498 42.059 0.058 0.000 0.898 377 L HN 0.275 nan 8.230 nan 0.000 0.433 378 L N -0.814 120.493 121.223 0.142 0.000 2.013 378 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 378 L C 2.731 179.740 176.870 0.230 0.000 1.073 378 L CA 1.552 56.551 54.840 0.265 0.000 0.753 378 L CB -0.353 41.985 42.059 0.466 0.000 0.890 378 L HN 0.295 nan 8.230 nan 0.000 0.432 379 M N -0.587 118.979 119.600 -0.056 0.000 2.065 379 M HA -0.267 4.213 4.480 -0.000 0.000 0.259 379 M C 2.300 178.646 176.300 0.076 0.000 1.071 379 M CA 1.945 57.107 55.300 -0.231 0.000 1.109 379 M CB -0.376 31.871 32.600 -0.590 0.000 1.313 379 M HN 0.070 nan 8.290 nan 0.000 0.408 380 K N -0.168 120.187 120.400 -0.075 0.000 2.147 380 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 380 K C 1.983 178.526 176.600 -0.096 0.000 1.049 380 K CA 1.283 57.418 56.287 -0.254 0.000 0.936 380 K CB -0.235 31.892 32.500 -0.621 0.000 0.722 380 K HN 0.472 nan 8.250 nan 0.000 0.446 381 Q N 0.360 120.270 119.800 0.183 0.000 2.224 381 Q HA -0.037 4.303 4.340 -0.000 0.000 0.203 381 Q C 0.736 177.002 176.000 0.444 0.000 0.970 381 Q CA 0.742 56.757 55.803 0.353 0.000 0.865 381 Q CB 0.167 29.080 28.738 0.291 0.000 0.922 381 Q HN 0.259 nan 8.270 nan 0.000 0.445 382 N N 1.040 119.974 118.700 0.390 0.000 2.380 382 N HA 0.049 4.789 4.740 -0.000 0.000 0.255 382 N C -0.832 174.833 175.510 0.258 0.000 1.158 382 N CA 0.025 53.319 53.050 0.405 0.000 0.878 382 N CB 0.592 39.392 38.487 0.523 0.000 1.138 382 N HN 0.147 nan 8.380 nan 0.000 0.509 383 N N 0.408 119.245 118.700 0.228 0.000 2.725 383 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 383 N C -1.007 174.480 175.510 -0.038 0.000 1.031 383 N CA 0.941 54.094 53.050 0.172 0.000 0.720 383 N CB -1.743 36.811 38.487 0.112 0.000 0.930 383 N HN 0.281 nan 8.380 nan 0.000 0.543 384 F N 0.613 120.577 119.950 0.024 0.000 2.425 384 F HA 0.386 4.913 4.527 0.000 0.000 0.331 384 F C 1.624 177.402 175.800 -0.037 0.000 1.085 384 F CA -0.768 57.223 58.000 -0.015 0.000 1.028 384 F CB 1.204 40.154 39.000 -0.084 0.000 1.177 384 F HN 0.071 nan 8.300 nan 0.000 0.487 385 N N 0.457 119.256 118.700 0.166 0.000 2.118 385 N HA 0.430 5.170 4.740 -0.000 0.000 0.226 385 N C -0.885 174.668 175.510 0.073 0.000 1.305 385 N CA -0.008 53.073 53.050 0.053 0.000 0.890 385 N CB 0.782 39.349 38.487 0.134 0.000 1.118 385 N HN 0.461 nan 8.380 nan 0.000 0.511 386 A N -0.393 122.527 122.820 0.166 0.000 2.587 386 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 386 A C -1.667 176.102 177.584 0.309 0.000 1.087 386 A CA -0.716 51.473 52.037 0.253 0.000 0.692 386 A CB 1.915 21.058 19.000 0.238 0.000 1.291 386 A HN 0.260 nan 8.150 nan 0.000 0.407 387 V N 1.003 121.184 119.914 0.445 0.000 2.971 387 V HA 0.786 4.906 4.120 -0.000 0.000 0.309 387 V C -0.905 175.371 176.094 0.304 0.000 1.130 387 V CA -0.750 61.777 62.300 0.379 0.000 0.964 387 V CB 1.999 33.956 31.823 0.223 0.000 1.029 387 V HN 1.056 nan 8.190 nan 0.000 0.427 388 R N 4.593 125.116 120.500 0.039 0.000 2.343 388 R HA 0.451 4.791 4.340 -0.000 0.000 0.320 388 R C -0.701 175.442 176.300 -0.261 0.000 0.956 388 R CA -0.516 55.411 56.100 -0.289 0.000 0.836 388 R CB 1.133 31.042 30.300 -0.651 0.000 1.151 388 R HN 0.850 nan 8.270 nan 0.000 0.450 389 C N 4.024 123.191 119.300 -0.222 0.000 3.585 389 C HA 0.066 4.526 4.460 -0.000 0.000 0.575 389 C C 0.809 175.492 174.990 -0.511 0.000 1.068 389 C CA -0.395 58.433 59.018 -0.317 0.000 1.113 389 C CB -2.269 25.391 27.740 -0.134 0.000 1.381 389 C HN 0.667 nan 8.230 nan 0.000 0.635 390 S N 1.056 116.338 115.700 -0.696 0.000 2.481 390 S HA 0.132 4.602 4.470 -0.000 0.000 0.282 390 S C -0.092 173.593 174.600 -1.525 0.000 1.243 390 S CA 0.264 57.777 58.200 -1.144 0.000 1.078 390 S CB 0.067 62.559 63.200 -1.180 0.000 0.916 390 S HN 0.719 nan 8.310 nan 0.000 0.495 391 H N 3.783 122.153 119.070 -1.168 0.000 2.511 391 H HA 0.309 4.865 4.556 -0.000 0.000 0.228 391 H C -1.193 173.965 175.328 -0.283 0.000 1.424 391 H CA -0.341 55.449 56.048 -0.431 0.000 1.321 391 H CB -0.051 29.676 29.762 -0.059 0.000 1.720 391 H HN 0.892 nan 8.280 nan 0.000 0.512 392 Y N -3.068 117.314 120.300 0.137 0.000 2.717 392 Y HA 0.357 4.907 4.550 0.000 0.000 0.345 392 Y C -3.380 172.613 175.900 0.155 0.000 1.187 392 Y CA -3.067 55.129 58.100 0.159 0.000 1.128 392 Y CB -0.052 38.510 38.460 0.169 0.000 1.360 392 Y HN -0.077 nan 8.280 nan 0.000 0.467 393 P HA 0.128 nan 4.420 nan 0.000 0.265 393 P C -0.636 176.951 177.300 0.479 0.000 1.193 393 P CA 0.419 63.773 63.100 0.423 0.000 0.765 393 P CB 0.549 32.432 31.700 0.306 0.000 0.823 394 N N 1.050 120.037 118.700 0.480 0.000 2.434 394 N HA 0.079 4.818 4.740 -0.000 0.000 0.266 394 N C 0.028 175.818 175.510 0.467 0.000 1.223 394 N CA -0.293 52.956 53.050 0.333 0.000 0.972 394 N CB 0.072 38.513 38.487 -0.076 0.000 1.207 394 N HN 0.483 nan 8.380 nan 0.000 0.525 395 H N 2.471 121.678 119.070 0.229 0.000 3.064 395 H HA -0.012 4.544 4.556 -0.000 0.000 0.329 395 H C -1.526 174.011 175.328 0.349 0.000 1.020 395 H CA -0.900 55.272 56.048 0.207 0.000 1.402 395 H CB 0.781 30.625 29.762 0.138 0.000 1.379 395 H HN 0.457 nan 8.280 nan 0.000 0.594 396 P HA -0.242 nan 4.420 nan 0.000 0.217 396 P C 1.798 179.417 177.300 0.531 0.000 1.151 396 P CA 0.927 64.240 63.100 0.355 0.000 0.849 396 P CB 0.270 32.008 31.700 0.063 0.000 0.787 397 L N -0.698 120.951 121.223 0.710 0.000 2.083 397 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 397 L C 2.541 179.612 176.870 0.335 0.000 1.083 397 L CA 1.515 56.626 54.840 0.452 0.000 0.752 397 L CB -1.662 40.592 42.059 0.325 0.000 0.899 397 L HN 0.028 nan 8.230 nan 0.000 0.433 398 W N -0.243 121.152 121.300 0.159 0.000 2.302 398 W HA -0.365 4.295 4.660 -0.000 0.000 0.320 398 W C 2.250 178.699 176.519 -0.116 0.000 1.241 398 W CA 2.339 59.654 57.345 -0.049 0.000 1.264 398 W CB -0.605 28.747 29.460 -0.179 0.000 1.154 398 W HN 0.284 nan 8.180 nan 0.000 0.483 399 Y N 0.872 121.116 120.300 -0.093 0.000 2.224 399 Y HA -0.230 4.319 4.550 -0.000 0.000 0.289 399 Y C 2.874 178.548 175.900 -0.378 0.000 1.146 399 Y CA 2.280 60.105 58.100 -0.458 0.000 1.182 399 Y CB -1.348 36.514 38.460 -0.998 0.000 0.983 399 Y HN -0.184 nan 8.280 nan 0.000 0.524 400 T N 0.564 115.155 114.554 0.062 0.000 2.746 400 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 400 T C 2.019 176.778 174.700 0.098 0.000 1.039 400 T CA 1.369 63.591 62.100 0.204 0.000 1.142 400 T CB -0.512 68.514 68.868 0.264 0.000 0.866 400 T HN 0.234 nan 8.240 nan 0.000 0.444 401 L N 0.323 121.542 121.223 -0.007 0.000 2.027 401 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 401 L C 2.882 179.723 176.870 -0.048 0.000 1.074 401 L CA 0.966 55.809 54.840 0.005 0.000 0.745 401 L CB -0.712 41.265 42.059 -0.137 0.000 0.898 401 L HN 0.343 nan 8.230 nan 0.000 0.433 402 C N -0.172 118.923 119.300 -0.340 0.000 2.410 402 C HA -0.161 4.299 4.460 -0.000 0.000 0.281 402 C C 2.350 177.380 174.990 0.068 0.000 1.318 402 C CA 0.493 59.353 59.018 -0.262 0.000 1.776 402 C CB -0.924 26.552 27.740 -0.441 0.000 1.942 402 C HN 0.536 nan 8.230 nan 0.000 0.508 403 D N 0.436 120.891 120.400 0.093 0.000 2.084 403 D HA -0.082 4.558 4.640 -0.000 0.000 0.196 403 D C 2.455 178.974 176.300 0.365 0.000 0.985 403 D CA 1.194 55.323 54.000 0.214 0.000 0.826 403 D CB -0.265 40.630 40.800 0.159 0.000 0.978 403 D HN 0.493 nan 8.370 nan 0.000 0.456 404 R N -0.956 119.668 120.500 0.206 0.000 2.075 404 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 404 R C 2.164 178.461 176.300 -0.006 0.000 1.114 404 R CA 0.659 56.822 56.100 0.105 0.000 0.972 404 R CB -0.279 30.029 30.300 0.012 0.000 0.869 404 R HN 0.279 nan 8.270 nan 0.000 0.437 405 Y N 0.196 120.511 120.300 0.025 0.000 2.457 405 Y HA 0.125 4.675 4.550 -0.000 0.000 0.292 405 Y C 1.019 176.851 175.900 -0.113 0.000 1.125 405 Y CA 1.035 59.119 58.100 -0.027 0.000 1.254 405 Y CB 0.471 38.881 38.460 -0.082 0.000 1.012 405 Y HN 0.274 nan 8.280 nan 0.000 0.555 406 G N 1.052 109.878 108.800 0.043 0.000 2.830 406 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.298 406 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.298 406 G C -1.176 173.570 174.900 -0.257 0.000 1.031 406 G CA -0.502 44.489 45.100 -0.182 0.000 1.179 406 G HN 0.163 nan 8.290 nan 0.000 0.527 407 L N 1.453 122.596 121.223 -0.133 0.000 2.526 407 L HA 0.391 4.731 4.340 -0.000 0.000 0.263 407 L C -0.553 176.338 176.870 0.036 0.000 0.943 407 L CA -1.254 53.488 54.840 -0.163 0.000 0.859 407 L CB 1.841 43.820 42.059 -0.134 0.000 1.313 407 L HN 0.389 nan 8.230 nan 0.000 0.406 408 Y N 2.524 122.951 120.300 0.211 0.000 2.402 408 Y HA 0.353 4.903 4.550 -0.000 0.000 0.333 408 Y C 0.334 176.366 175.900 0.220 0.000 1.076 408 Y CA -0.474 57.783 58.100 0.261 0.000 1.299 408 Y CB 0.899 39.487 38.460 0.214 0.000 1.197 408 Y HN 0.112 nan 8.280 nan 0.000 0.517 409 V N 4.154 124.261 119.914 0.321 0.000 2.628 409 V HA 0.448 4.568 4.120 -0.000 0.000 0.306 409 V C -0.489 175.689 176.094 0.139 0.000 1.045 409 V CA -1.103 61.323 62.300 0.210 0.000 0.905 409 V CB 1.987 33.884 31.823 0.124 0.000 0.997 409 V HN 0.429 nan 8.190 nan 0.000 0.436 410 V N 2.809 122.777 119.914 0.091 0.000 2.311 410 V HA 0.313 4.433 4.120 -0.000 0.000 0.275 410 V C -0.365 175.760 176.094 0.051 0.000 1.022 410 V CA -0.388 61.916 62.300 0.006 0.000 0.830 410 V CB 1.317 33.038 31.823 -0.170 0.000 1.012 410 V HN 0.884 nan 8.190 nan 0.000 0.452 411 D N 4.159 124.631 120.400 0.119 0.000 2.316 411 D HA 0.232 4.872 4.640 -0.000 0.000 0.245 411 D C -0.088 176.415 176.300 0.337 0.000 1.171 411 D CA 0.124 54.303 54.000 0.297 0.000 0.856 411 D CB 1.018 42.064 40.800 0.410 0.000 1.090 411 D HN 0.670 nan 8.370 nan 0.000 0.476 412 E N 2.111 122.460 120.200 0.248 0.000 2.176 412 E HA 0.582 4.932 4.350 -0.000 0.000 0.267 412 E C -0.841 175.893 176.600 0.224 0.000 0.893 412 E CA -1.058 55.471 56.400 0.216 0.000 0.761 412 E CB 1.244 31.020 29.700 0.126 0.000 1.133 412 E HN 0.483 nan 8.360 nan 0.000 0.409 413 A N 3.998 126.943 122.820 0.208 0.000 2.507 413 A HA -0.006 4.314 4.320 -0.000 0.000 0.235 413 A C 0.350 178.052 177.584 0.197 0.000 1.070 413 A CA -0.128 52.010 52.037 0.167 0.000 0.768 413 A CB 0.109 19.169 19.000 0.100 0.000 1.011 413 A HN 0.719 nan 8.150 nan 0.000 0.502 414 N N 0.944 119.767 118.700 0.204 0.000 2.895 414 N HA 0.311 5.051 4.740 -0.000 0.000 0.277 414 N C -1.036 174.596 175.510 0.203 0.000 1.185 414 N CA 0.204 53.406 53.050 0.253 0.000 1.106 414 N CB -0.750 37.887 38.487 0.251 0.000 1.422 414 N HN 0.460 nan 8.380 nan 0.000 0.521 415 I N 1.052 121.738 120.570 0.194 0.000 2.540 415 I HA 0.235 4.405 4.170 -0.000 0.000 0.280 415 I C -0.625 175.587 176.117 0.158 0.000 1.083 415 I CA -0.505 60.892 61.300 0.162 0.000 1.080 415 I CB 1.487 39.560 38.000 0.122 0.000 1.205 415 I HN 0.246 nan 8.210 nan 0.000 0.459 416 E N 4.052 124.335 120.200 0.139 0.000 2.263 416 E HA 0.481 4.831 4.350 -0.000 0.000 0.268 416 E C -0.385 176.252 176.600 0.062 0.000 0.884 416 E CA -0.384 56.061 56.400 0.075 0.000 0.766 416 E CB 1.961 31.670 29.700 0.015 0.000 1.196 416 E HN 0.587 nan 8.360 nan 0.000 0.416 417 T N 0.451 115.023 114.554 0.030 0.000 3.442 417 T HA 0.128 4.478 4.350 -0.000 0.000 0.295 417 T C 0.883 175.539 174.700 -0.072 0.000 1.007 417 T CA -0.402 61.724 62.100 0.043 0.000 0.962 417 T CB 0.268 69.177 68.868 0.067 0.000 1.187 417 T HN 0.578 nan 8.240 nan 0.000 0.490 418 E N 1.335 121.437 120.200 -0.165 0.000 2.284 418 E HA -0.128 4.221 4.350 -0.000 0.000 0.200 418 E C 2.008 178.455 176.600 -0.255 0.000 1.008 418 E CA 1.512 57.788 56.400 -0.206 0.000 0.829 418 E CB -0.722 28.826 29.700 -0.252 0.000 0.744 418 E HN 0.707 nan 8.360 nan 0.000 0.491 419 G N 0.352 108.901 108.800 -0.419 0.000 2.572 419 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 419 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 419 G C 0.801 175.724 174.900 0.037 0.000 1.133 419 G CA -0.070 44.800 45.100 -0.384 0.000 0.791 419 G HN 0.094 nan 8.290 nan 0.000 0.538 420 M N 0.316 119.993 119.600 0.130 0.000 2.207 420 M HA 0.357 4.837 4.480 -0.000 0.000 0.311 420 M C -0.432 175.867 176.300 -0.001 0.000 1.127 420 M CA -0.134 55.225 55.300 0.098 0.000 1.181 420 M CB 1.278 33.896 32.600 0.030 0.000 1.409 420 M HN -0.170 nan 8.290 nan 0.000 0.461 421 V N 2.773 122.675 119.914 -0.020 0.000 2.532 421 V HA 0.328 4.448 4.120 -0.000 0.000 0.294 421 V C -2.061 174.009 176.094 -0.041 0.000 1.036 421 V CA -1.292 60.986 62.300 -0.038 0.000 0.876 421 V CB 1.760 33.561 31.823 -0.037 0.000 1.012 421 V HN 0.740 nan 8.190 nan 0.000 0.432 422 P HA 0.217 nan 4.420 nan 0.000 0.274 422 P C 1.012 178.290 177.300 -0.037 0.000 1.256 422 P CA -0.504 62.572 63.100 -0.040 0.000 0.795 422 P CB 1.138 32.820 31.700 -0.031 0.000 1.038 423 M N 1.019 120.598 119.600 -0.036 0.000 2.337 423 M HA -0.193 4.286 4.480 -0.000 0.000 0.261 423 M C 1.076 177.380 176.300 0.008 0.000 1.067 423 M CA 1.835 57.120 55.300 -0.024 0.000 1.074 423 M CB -0.427 32.154 32.600 -0.032 0.000 1.395 423 M HN 0.366 nan 8.290 nan 0.000 0.431 424 N N -0.344 118.365 118.700 0.014 0.000 2.273 424 N HA -0.029 4.711 4.740 -0.000 0.000 0.231 424 N C 1.040 176.526 175.510 -0.040 0.000 1.134 424 N CA -0.042 53.026 53.050 0.029 0.000 0.856 424 N CB -0.630 37.904 38.487 0.078 0.000 1.068 424 N HN 0.385 nan 8.380 nan 0.000 0.510 425 R N 0.311 120.768 120.500 -0.073 0.000 2.127 425 R HA 0.032 4.372 4.340 -0.000 0.000 0.238 425 R C 1.263 177.451 176.300 -0.186 0.000 1.134 425 R CA 1.169 57.203 56.100 -0.111 0.000 0.975 425 R CB 0.068 30.298 30.300 -0.117 0.000 0.865 425 R HN 0.274 nan 8.270 nan 0.000 0.447 426 L N -0.843 120.215 121.223 -0.275 0.000 2.200 426 L HA 0.003 4.343 4.340 -0.000 0.000 0.200 426 L C 2.428 179.152 176.870 -0.243 0.000 1.072 426 L CA 1.205 55.761 54.840 -0.474 0.000 0.787 426 L CB -0.519 41.045 42.059 -0.825 0.000 0.957 426 L HN 0.319 nan 8.230 nan 0.000 0.459 427 T N -3.870 110.574 114.554 -0.182 0.000 3.025 427 T HA -0.207 4.143 4.350 -0.000 0.000 0.270 427 T C 1.165 175.782 174.700 -0.139 0.000 1.126 427 T CA 1.585 63.565 62.100 -0.201 0.000 1.105 427 T CB -0.273 68.423 68.868 -0.287 0.000 0.884 427 T HN 0.199 nan 8.240 nan 0.000 0.522 428 D N 0.644 120.997 120.400 -0.078 0.000 2.398 428 D HA 0.086 4.726 4.640 -0.000 0.000 0.210 428 D C -0.170 176.114 176.300 -0.026 0.000 1.094 428 D CA -0.330 53.639 54.000 -0.053 0.000 0.839 428 D CB 0.034 40.806 40.800 -0.046 0.000 0.963 428 D HN 0.292 nan 8.370 nan 0.000 0.506 429 D N 0.448 120.844 120.400 -0.005 0.000 2.313 429 D HA 0.090 4.730 4.640 -0.000 0.000 0.239 429 D C -1.481 174.874 176.300 0.090 0.000 1.142 429 D CA -2.208 51.825 54.000 0.055 0.000 0.847 429 D CB 1.777 42.644 40.800 0.111 0.000 1.082 429 D HN 0.014 nan 8.370 nan 0.000 0.480 430 P HA -0.185 nan 4.420 nan 0.000 0.221 430 P C 1.295 178.608 177.300 0.021 0.000 1.145 430 P CA 0.569 63.684 63.100 0.025 0.000 0.795 430 P CB 0.310 32.013 31.700 0.005 0.000 0.775 431 R N -0.850 119.675 120.500 0.041 0.000 2.189 431 R HA -0.108 4.231 4.340 -0.000 0.000 0.223 431 R C 1.124 177.321 176.300 -0.171 0.000 1.092 431 R CA 1.105 57.169 56.100 -0.060 0.000 0.989 431 R CB -0.362 29.906 30.300 -0.053 0.000 0.876 431 R HN 0.219 nan 8.270 nan 0.000 0.457 432 W N -0.158 121.092 121.300 -0.084 0.000 3.239 432 W HA 0.117 4.776 4.660 -0.000 0.000 0.348 432 W C 1.329 177.794 176.519 -0.090 0.000 1.183 432 W CA -0.605 56.690 57.345 -0.084 0.000 1.819 432 W CB 0.091 29.498 29.460 -0.088 0.000 1.091 432 W HN 0.062 nan 8.180 nan 0.000 0.629 433 L N 2.081 123.339 121.223 0.058 0.000 2.083 433 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 433 L C -0.725 176.118 176.870 -0.045 0.000 1.083 433 L CA 2.216 57.052 54.840 -0.006 0.000 0.752 433 L CB -1.554 40.490 42.059 -0.026 0.000 0.899 433 L HN -0.216 nan 8.230 nan 0.000 0.433 434 P HA -0.136 nan 4.420 nan 0.000 0.213 434 P C 1.673 178.926 177.300 -0.078 0.000 1.170 434 P CA 2.115 65.159 63.100 -0.092 0.000 0.893 434 P CB -0.217 31.414 31.700 -0.115 0.000 0.784 435 A N -0.808 121.977 122.820 -0.059 0.000 1.892 435 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 435 A C 2.250 179.850 177.584 0.027 0.000 1.188 435 A CA 2.428 54.466 52.037 0.001 0.000 0.631 435 A CB -1.633 17.410 19.000 0.072 0.000 0.822 435 A HN 0.100 nan 8.150 nan 0.000 0.447 436 M N -0.899 118.727 119.600 0.044 0.000 2.067 436 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 436 M C 2.566 178.811 176.300 -0.091 0.000 1.069 436 M CA 1.800 57.097 55.300 -0.005 0.000 1.117 436 M CB -0.495 32.084 32.600 -0.035 0.000 1.334 436 M HN 0.578 nan 8.290 nan 0.000 0.407 437 S N 0.548 116.167 115.700 -0.135 0.000 2.390 437 S HA -0.261 4.209 4.470 -0.000 0.000 0.234 437 S C 1.686 176.116 174.600 -0.283 0.000 1.063 437 S CA 2.110 60.162 58.200 -0.246 0.000 1.108 437 S CB -0.398 62.662 63.200 -0.233 0.000 0.975 437 S HN 0.520 nan 8.310 nan 0.000 0.442 438 E N -0.047 120.040 120.200 -0.189 0.000 2.204 438 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 438 E C 2.373 178.889 176.600 -0.140 0.000 0.989 438 E CA 0.792 57.090 56.400 -0.170 0.000 0.824 438 E CB -0.099 29.534 29.700 -0.110 0.000 0.756 438 E HN 0.552 nan 8.360 nan 0.000 0.477 439 R N -0.025 120.418 120.500 -0.096 0.000 2.236 439 R HA -0.004 4.336 4.340 -0.000 0.000 0.208 439 R C 2.014 178.269 176.300 -0.075 0.000 1.036 439 R CA 0.294 56.368 56.100 -0.044 0.000 1.001 439 R CB 0.299 30.611 30.300 0.022 0.000 0.896 439 R HN 0.009 nan 8.270 nan 0.000 0.464 440 V N -0.033 119.781 119.914 -0.166 0.000 2.490 440 V HA -0.150 3.970 4.120 -0.000 0.000 0.238 440 V C 2.416 178.303 176.094 -0.344 0.000 1.056 440 V CA 1.996 64.166 62.300 -0.217 0.000 1.075 440 V CB -0.122 31.552 31.823 -0.249 0.000 0.746 440 V HN 0.429 nan 8.190 nan 0.000 0.479 441 T N -0.371 113.852 114.554 -0.552 0.000 2.720 441 T HA -0.267 4.083 4.350 -0.000 0.000 0.268 441 T C 1.911 176.456 174.700 -0.259 0.000 1.037 441 T CA 1.584 63.291 62.100 -0.655 0.000 1.144 441 T CB -0.453 67.908 68.868 -0.845 0.000 0.864 441 T HN 0.381 nan 8.240 nan 0.000 0.444 442 R N 0.339 120.713 120.500 -0.209 0.000 2.148 442 R HA 0.187 4.527 4.340 -0.000 0.000 0.227 442 R C 2.621 178.850 176.300 -0.119 0.000 1.103 442 R CA 1.325 57.340 56.100 -0.141 0.000 0.983 442 R CB -0.449 29.775 30.300 -0.128 0.000 0.874 442 R HN 0.520 nan 8.270 nan 0.000 0.451 443 M N 0.525 120.057 119.600 -0.113 0.000 2.123 443 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 443 M C 1.842 178.079 176.300 -0.106 0.000 1.069 443 M CA 1.569 56.835 55.300 -0.056 0.000 1.133 443 M CB 0.129 32.734 32.600 0.009 0.000 1.356 443 M HN -0.052 nan 8.290 nan 0.000 0.415 444 V N 1.327 121.065 119.914 -0.293 0.000 2.261 444 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 444 V C 2.385 178.412 176.094 -0.111 0.000 1.047 444 V CA 2.035 64.058 62.300 -0.462 0.000 1.015 444 V CB -1.088 30.466 31.823 -0.449 0.000 0.642 444 V HN 0.578 nan 8.190 nan 0.000 0.446 445 Q N -0.585 119.185 119.800 -0.050 0.000 2.234 445 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 445 Q C 2.420 178.383 176.000 -0.062 0.000 0.980 445 Q CA 1.468 57.266 55.803 -0.008 0.000 0.869 445 Q CB -0.182 28.561 28.738 0.009 0.000 0.912 445 Q HN 0.574 nan 8.270 nan 0.000 0.436 446 R N 0.553 120.997 120.500 -0.093 0.000 2.057 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.224 446 R C 0.830 177.078 176.300 -0.086 0.000 1.136 446 R CA 1.346 57.361 56.100 -0.142 0.000 0.968 446 R CB 0.331 30.534 30.300 -0.162 0.000 0.863 446 R HN 0.143 nan 8.270 nan 0.000 0.433 447 D N 0.349 120.758 120.400 0.016 0.000 2.350 447 D HA -0.041 4.599 4.640 -0.000 0.000 0.213 447 D C 1.507 177.956 176.300 0.248 0.000 1.031 447 D CA 0.214 54.273 54.000 0.098 0.000 0.861 447 D CB 0.027 40.792 40.800 -0.058 0.000 0.926 447 D HN 0.391 nan 8.370 nan 0.000 0.520 448 R N 0.941 121.629 120.500 0.313 0.000 2.261 448 R HA -0.090 4.250 4.340 -0.000 0.000 0.236 448 R C 0.959 177.322 176.300 0.105 0.000 1.141 448 R CA 1.029 57.334 56.100 0.342 0.000 1.001 448 R CB -0.349 30.089 30.300 0.229 0.000 0.866 448 R HN -0.031 nan 8.270 nan 0.000 0.468 449 N N 0.080 118.765 118.700 -0.025 0.000 2.373 449 N HA -0.011 4.729 4.740 -0.000 0.000 0.181 449 N C -0.337 175.085 175.510 -0.146 0.000 1.082 449 N CA 0.293 53.277 53.050 -0.110 0.000 0.885 449 N CB 0.040 38.412 38.487 -0.192 0.000 0.977 449 N HN 0.300 nan 8.380 nan 0.000 0.462 450 H N 1.741 120.769 119.070 -0.070 0.000 2.899 450 H HA 0.048 4.604 4.556 -0.000 0.000 0.303 450 H C -1.160 174.036 175.328 -0.219 0.000 1.042 450 H CA -0.832 55.155 56.048 -0.101 0.000 1.479 450 H CB 1.305 31.054 29.762 -0.021 0.000 1.493 450 H HN 0.138 nan 8.280 nan 0.000 0.534 451 P HA -0.133 nan 4.420 nan 0.000 0.221 451 P C 1.363 178.199 177.300 -0.774 0.000 1.150 451 P CA 0.978 63.737 63.100 -0.569 0.000 0.800 451 P CB 0.306 31.482 31.700 -0.874 0.000 0.787 452 S N -0.747 114.594 115.700 -0.598 0.000 2.447 452 S HA -0.029 4.440 4.470 -0.000 0.000 0.233 452 S C 1.115 175.704 174.600 -0.019 0.000 1.006 452 S CA 0.266 58.310 58.200 -0.260 0.000 0.957 452 S CB -1.401 61.794 63.200 -0.008 0.000 0.773 452 S HN -0.062 nan 8.310 nan 0.000 0.507 453 V N 3.751 123.620 119.914 -0.075 0.000 2.415 453 V HA 0.244 4.364 4.120 -0.000 0.000 0.267 453 V C 1.110 177.085 176.094 -0.198 0.000 1.042 453 V CA -0.077 62.148 62.300 -0.125 0.000 1.000 453 V CB 0.402 32.071 31.823 -0.257 0.000 1.015 453 V HN 0.635 nan 8.190 nan 0.000 0.478 454 I N 2.892 123.404 120.570 -0.097 0.000 4.187 454 I HA 0.488 4.658 4.170 -0.000 0.000 0.326 454 I C 0.378 176.408 176.117 -0.145 0.000 1.302 454 I CA 0.524 61.780 61.300 -0.073 0.000 1.196 454 I CB 0.520 38.562 38.000 0.071 0.000 1.095 454 I HN 0.310 nan 8.210 nan 0.000 0.411 455 I N 0.125 120.583 120.570 -0.187 0.000 2.722 455 I HA 0.358 4.528 4.170 -0.000 0.000 0.295 455 I C -1.647 174.387 176.117 -0.139 0.000 1.161 455 I CA -0.467 60.759 61.300 -0.123 0.000 1.032 455 I CB 2.227 40.237 38.000 0.017 0.000 1.244 455 I HN 0.019 nan 8.210 nan 0.000 0.421 456 W N 3.768 125.121 121.300 0.089 0.000 2.478 456 W HA 0.591 5.251 4.660 -0.000 0.000 0.318 456 W C 0.332 176.913 176.519 0.103 0.000 1.062 456 W CA -0.674 56.728 57.345 0.095 0.000 1.210 456 W CB 1.822 31.335 29.460 0.087 0.000 1.325 456 W HN 0.310 nan 8.180 nan 0.000 0.496 457 S N 3.112 119.034 115.700 0.371 0.000 2.503 457 S HA 0.427 4.897 4.470 -0.000 0.000 0.301 457 S C 0.257 175.007 174.600 0.250 0.000 1.087 457 S CA -0.691 57.670 58.200 0.269 0.000 1.042 457 S CB 0.828 64.144 63.200 0.194 0.000 1.043 457 S HN 0.584 nan 8.310 nan 0.000 0.489 458 L N 4.155 125.508 121.223 0.217 0.000 2.627 458 L HA 0.367 4.706 4.340 -0.000 0.000 0.233 458 L C 1.337 178.256 176.870 0.082 0.000 1.144 458 L CA 0.403 55.296 54.840 0.087 0.000 0.892 458 L CB -1.075 40.936 42.059 -0.079 0.000 1.039 458 L HN 0.998 nan 8.230 nan 0.000 0.442 459 G N 0.002 108.931 108.800 0.215 0.000 2.280 459 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.277 459 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.277 459 G C -1.643 173.444 174.900 0.313 0.000 1.288 459 G CA -0.585 44.658 45.100 0.239 0.000 1.075 459 G HN 0.167 nan 8.290 nan 0.000 0.480 460 N N 0.112 118.944 118.700 0.221 0.000 2.396 460 N HA 0.483 5.223 4.740 -0.000 0.000 0.275 460 N C -0.568 174.940 175.510 -0.002 0.000 1.218 460 N CA 0.011 53.074 53.050 0.021 0.000 0.812 460 N CB 1.630 39.858 38.487 -0.431 0.000 1.592 460 N HN 0.866 nan 8.380 nan 0.000 0.480 461 E N 0.523 120.656 120.200 -0.112 0.000 2.012 461 E HA -0.179 4.171 4.350 -0.000 0.000 0.171 461 E C -0.905 175.701 176.600 0.010 0.000 1.512 461 E CA 0.770 57.105 56.400 -0.108 0.000 0.577 461 E CB -1.105 28.474 29.700 -0.201 0.000 1.034 461 E HN 0.403 nan 8.360 nan 0.000 0.293 462 S N 0.614 116.408 115.700 0.156 0.000 2.949 462 S HA 0.366 4.835 4.470 -0.000 0.000 0.246 462 S C 0.552 175.343 174.600 0.319 0.000 0.899 462 S CA -0.262 58.079 58.200 0.234 0.000 1.091 462 S CB 1.268 64.672 63.200 0.341 0.000 1.199 462 S HN 0.888 nan 8.310 nan 0.000 0.507 463 G N 2.002 110.910 108.800 0.179 0.000 2.581 463 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.289 463 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.289 463 G C -0.397 174.723 174.900 0.367 0.000 1.303 463 G CA 0.274 45.483 45.100 0.182 0.000 0.931 463 G HN 0.718 nan 8.290 nan 0.000 0.555 464 H N 0.322 119.522 119.070 0.216 0.000 3.036 464 H HA 0.539 5.095 4.556 -0.000 0.000 0.295 464 H C 0.495 175.979 175.328 0.259 0.000 1.124 464 H CA -0.155 56.068 56.048 0.292 0.000 1.507 464 H CB 0.081 29.945 29.762 0.169 0.000 1.591 464 H HN 0.924 nan 8.280 nan 0.000 0.510 465 G N 1.280 110.263 108.800 0.304 0.000 2.552 465 G HA2 0.438 4.398 3.960 -0.000 0.000 0.324 465 G HA3 0.438 4.398 3.960 -0.000 0.000 0.324 465 G C 0.804 175.665 174.900 -0.064 0.000 1.217 465 G CA -0.105 44.987 45.100 -0.013 0.000 0.989 465 G HN 0.651 nan 8.290 nan 0.000 0.490 466 A N 0.367 123.136 122.820 -0.085 0.000 1.908 466 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 466 A C 2.254 179.843 177.584 0.009 0.000 1.181 466 A CA 2.037 54.052 52.037 -0.036 0.000 0.627 466 A CB -0.611 18.373 19.000 -0.027 0.000 0.818 466 A HN 0.564 nan 8.150 nan 0.000 0.445 467 N N -0.212 118.459 118.700 -0.047 0.000 2.132 467 N HA -0.206 4.534 4.740 -0.000 0.000 0.191 467 N C 1.424 176.902 175.510 -0.053 0.000 1.015 467 N CA 1.975 54.977 53.050 -0.080 0.000 0.864 467 N CB -0.791 37.600 38.487 -0.160 0.000 1.006 467 N HN 0.805 nan 8.380 nan 0.000 0.430 468 H N 0.220 119.308 119.070 0.030 0.000 2.353 468 H HA -0.039 4.517 4.556 -0.000 0.000 0.300 468 H C 1.355 176.762 175.328 0.132 0.000 1.090 468 H CA 1.316 57.378 56.048 0.024 0.000 1.327 468 H CB 0.140 29.933 29.762 0.051 0.000 1.383 468 H HN 0.249 nan 8.280 nan 0.000 0.508 469 D N 0.245 120.828 120.400 0.305 0.000 2.117 469 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 469 D C 2.301 178.757 176.300 0.261 0.000 0.982 469 D CA 1.072 55.239 54.000 0.277 0.000 0.828 469 D CB -0.234 40.698 40.800 0.219 0.000 0.967 469 D HN 0.422 nan 8.370 nan 0.000 0.464 470 A N 1.167 124.090 122.820 0.171 0.000 1.877 470 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 470 A C 2.414 180.098 177.584 0.166 0.000 1.186 470 A CA 0.912 53.034 52.037 0.142 0.000 0.620 470 A CB -0.818 18.226 19.000 0.072 0.000 0.822 470 A HN 0.175 nan 8.150 nan 0.000 0.443 471 L N -1.913 119.385 121.223 0.124 0.000 2.141 471 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 471 L C 2.563 179.549 176.870 0.193 0.000 1.094 471 L CA 1.521 56.419 54.840 0.097 0.000 0.763 471 L CB -0.674 41.380 42.059 -0.008 0.000 0.908 471 L HN 0.636 nan 8.230 nan 0.000 0.437 472 Y N 1.397 121.771 120.300 0.124 0.000 2.070 472 Y HA -0.333 4.217 4.550 -0.000 0.000 0.280 472 Y C 2.842 178.827 175.900 0.141 0.000 1.148 472 Y CA 1.851 60.029 58.100 0.130 0.000 1.125 472 Y CB -0.210 38.324 38.460 0.123 0.000 0.975 472 Y HN -0.039 nan 8.280 nan 0.000 0.492 473 R N -0.044 120.554 120.500 0.164 0.000 2.127 473 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 473 R C 2.027 178.336 176.300 0.016 0.000 1.134 473 R CA 1.923 58.057 56.100 0.057 0.000 0.975 473 R CB -1.423 28.993 30.300 0.193 0.000 0.865 473 R HN 0.685 nan 8.270 nan 0.000 0.447 474 W N 0.404 121.650 121.300 -0.091 0.000 2.354 474 W HA -0.121 4.539 4.660 0.000 0.000 0.315 474 W C 1.684 178.102 176.519 -0.168 0.000 1.206 474 W CA 1.986 59.267 57.345 -0.107 0.000 1.290 474 W CB -0.315 29.088 29.460 -0.094 0.000 1.152 474 W HN 0.061 nan 8.180 nan 0.000 0.489 475 I N 1.050 121.700 120.570 0.134 0.000 2.208 475 I HA -0.385 3.785 4.170 -0.000 0.000 0.245 475 I C 2.424 178.369 176.117 -0.287 0.000 1.097 475 I CA 1.448 62.664 61.300 -0.139 0.000 1.363 475 I CB -0.753 37.195 38.000 -0.086 0.000 1.051 475 I HN -0.057 nan 8.210 nan 0.000 0.413 476 K N 0.570 120.798 120.400 -0.286 0.000 2.103 476 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 476 K C 2.259 178.726 176.600 -0.222 0.000 1.048 476 K CA 1.346 57.483 56.287 -0.250 0.000 0.930 476 K CB -0.475 31.841 32.500 -0.307 0.000 0.716 476 K HN 0.266 nan 8.250 nan 0.000 0.444 477 S N 0.712 116.244 115.700 -0.280 0.000 2.362 477 S HA -0.050 4.420 4.470 -0.000 0.000 0.221 477 S C 2.217 176.586 174.600 -0.385 0.000 1.032 477 S CA 0.851 58.880 58.200 -0.285 0.000 0.973 477 S CB -0.088 62.941 63.200 -0.285 0.000 0.849 477 S HN 0.004 nan 8.310 nan 0.000 0.465 478 V N 1.297 120.832 119.914 -0.632 0.000 2.358 478 V HA -0.042 4.078 4.120 -0.000 0.000 0.246 478 V C 0.651 176.477 176.094 -0.445 0.000 1.047 478 V CA 1.423 63.301 62.300 -0.703 0.000 1.035 478 V CB -0.362 30.691 31.823 -1.284 0.000 0.658 478 V HN 0.438 nan 8.190 nan 0.000 0.452 479 D N -1.392 118.813 120.400 -0.324 0.000 2.330 479 D HA 0.292 4.932 4.640 -0.000 0.000 0.249 479 D C -2.242 174.037 176.300 -0.035 0.000 1.306 479 D CA -1.620 52.303 54.000 -0.130 0.000 0.956 479 D CB 1.789 42.596 40.800 0.012 0.000 1.261 479 D HN 0.030 nan 8.370 nan 0.000 0.544 480 P HA -0.066 nan 4.420 nan 0.000 0.226 480 P C 1.325 178.641 177.300 0.026 0.000 1.153 480 P CA 0.597 63.686 63.100 -0.019 0.000 0.777 480 P CB 0.251 31.931 31.700 -0.034 0.000 0.794 481 S N -1.124 114.599 115.700 0.039 0.000 2.447 481 S HA -0.043 4.426 4.470 -0.000 0.000 0.233 481 S C 0.937 175.573 174.600 0.059 0.000 1.006 481 S CA 0.444 58.676 58.200 0.053 0.000 0.957 481 S CB -0.451 62.773 63.200 0.041 0.000 0.773 481 S HN 0.066 nan 8.310 nan 0.000 0.507 482 R N 1.162 121.715 120.500 0.088 0.000 2.686 482 R HA 0.566 4.906 4.340 -0.000 0.000 0.286 482 R C -3.202 173.168 176.300 0.116 0.000 0.969 482 R CA -2.374 53.757 56.100 0.051 0.000 0.898 482 R CB 1.406 31.632 30.300 -0.124 0.000 1.183 482 R HN 0.169 nan 8.270 nan 0.000 0.456 483 P HA 0.150 nan 4.420 nan 0.000 0.277 483 P C -0.813 176.596 177.300 0.181 0.000 1.240 483 P CA -0.440 62.731 63.100 0.118 0.000 0.798 483 P CB 0.855 32.606 31.700 0.085 0.000 0.979 484 V N 2.857 122.902 119.914 0.219 0.000 2.581 484 V HA 0.507 4.627 4.120 -0.000 0.000 0.303 484 V C 0.130 176.401 176.094 0.296 0.000 1.041 484 V CA -0.265 62.207 62.300 0.286 0.000 0.907 484 V CB 1.342 33.305 31.823 0.233 0.000 0.994 484 V HN 0.641 nan 8.190 nan 0.000 0.442 485 Q N 3.159 123.116 119.800 0.263 0.000 2.456 485 Q HA 0.784 5.124 4.340 -0.000 0.000 0.284 485 Q C -1.930 174.221 176.000 0.252 0.000 1.061 485 Q CA -0.941 54.982 55.803 0.199 0.000 0.799 485 Q CB 2.841 31.644 28.738 0.108 0.000 1.445 485 Q HN 0.626 nan 8.270 nan 0.000 0.411 486 Y N 0.337 120.631 120.300 -0.010 0.000 2.357 486 Y HA 0.172 4.722 4.550 -0.000 0.000 0.319 486 Y C -0.609 175.220 175.900 -0.117 0.000 1.225 486 Y CA -0.805 57.254 58.100 -0.068 0.000 1.095 486 Y CB 2.119 40.511 38.460 -0.114 0.000 1.302 486 Y HN 0.959 nan 8.280 nan 0.000 0.429 487 E N 3.332 123.119 120.200 -0.688 0.000 2.385 487 E HA 0.141 4.491 4.350 -0.000 0.000 0.194 487 E C 0.597 176.759 176.600 -0.730 0.000 1.013 487 E CA 0.655 56.724 56.400 -0.552 0.000 0.866 487 E CB 0.253 29.756 29.700 -0.329 0.000 0.832 487 E HN 0.880 nan 8.360 nan 0.000 0.500 488 G N -0.136 107.740 108.800 -1.540 0.000 2.559 488 G HA2 0.239 4.199 3.960 -0.000 0.000 0.235 488 G HA3 0.239 4.199 3.960 -0.000 0.000 0.235 488 G C 0.839 175.528 174.900 -0.351 0.000 1.266 488 G CA 0.250 44.813 45.100 -0.896 0.000 0.847 488 G HN 0.326 nan 8.290 nan 0.000 0.583 489 G N -0.564 108.185 108.800 -0.085 0.000 2.153 489 G HA2 0.215 4.175 3.960 -0.000 0.000 0.252 489 G HA3 0.215 4.175 3.960 -0.000 0.000 0.252 489 G C 1.269 176.187 174.900 0.029 0.000 0.994 489 G CA 1.065 46.192 45.100 0.046 0.000 0.698 489 G HN 2.629 nan 8.290 nan 0.000 0.521 490 G N -1.555 107.244 108.800 -0.001 0.000 2.183 490 G HA2 0.438 4.398 3.960 -0.000 0.000 0.168 490 G HA3 0.438 4.398 3.960 -0.000 0.000 0.168 490 G C 1.074 176.082 174.900 0.181 0.000 1.008 490 G CA 1.195 46.361 45.100 0.109 0.000 0.677 490 G HN 2.312 nan 8.290 nan 0.000 0.498 491 A N -0.302 122.508 122.820 -0.017 0.000 3.768 491 A HA -0.193 4.127 4.320 -0.000 0.000 0.270 491 A C 1.226 178.749 177.584 -0.103 0.000 1.019 491 A CA 2.847 54.820 52.037 -0.106 0.000 1.058 491 A CB -1.723 17.190 19.000 -0.145 0.000 1.085 491 A HN 2.079 nan 8.150 nan 0.000 0.857 492 D N -1.044 119.383 120.400 0.047 0.000 2.620 492 D HA 0.323 4.963 4.640 -0.000 0.000 0.260 492 D C 0.558 176.869 176.300 0.019 0.000 1.367 492 D CA 0.795 54.826 54.000 0.051 0.000 0.805 492 D CB -1.066 39.893 40.800 0.265 0.000 1.096 492 D HN 0.812 nan 8.370 nan 0.000 0.488 493 T N -2.148 112.362 114.554 -0.073 0.000 2.640 493 T HA 0.092 4.441 4.350 -0.000 0.000 0.316 493 T C 1.567 176.164 174.700 -0.173 0.000 1.036 493 T CA 0.508 62.514 62.100 -0.156 0.000 1.009 493 T CB 0.726 69.284 68.868 -0.517 0.000 1.017 493 T HN 0.149 nan 8.240 nan 0.000 0.530 494 T N -2.711 111.757 114.554 -0.143 0.000 3.160 494 T HA 0.289 4.639 4.350 -0.000 0.000 0.257 494 T C 1.395 175.853 174.700 -0.405 0.000 1.147 494 T CA 0.132 62.136 62.100 -0.161 0.000 1.064 494 T CB -0.442 68.414 68.868 -0.019 0.000 0.949 494 T HN 0.849 nan 8.240 nan 0.000 0.526 495 A N 0.449 123.022 122.820 -0.413 0.000 2.500 495 A HA 0.533 4.853 4.320 -0.000 0.000 0.267 495 A C 0.775 178.188 177.584 -0.285 0.000 1.290 495 A CA -0.313 51.453 52.037 -0.452 0.000 0.928 495 A CB 0.138 19.062 19.000 -0.128 0.000 1.066 495 A HN 0.444 nan 8.150 nan 0.000 0.516 496 T N -1.478 112.915 114.554 -0.268 0.000 2.993 496 T HA 0.333 4.683 4.350 -0.000 0.000 0.312 496 T C -0.708 174.004 174.700 0.019 0.000 1.115 496 T CA -0.449 61.645 62.100 -0.009 0.000 1.027 496 T CB 1.244 70.103 68.868 -0.014 0.000 1.116 496 T HN 0.104 nan 8.240 nan 0.000 0.464 497 D N 2.948 123.439 120.400 0.152 0.000 2.348 497 D HA 0.233 4.873 4.640 -0.000 0.000 0.211 497 D C 0.434 176.764 176.300 0.050 0.000 0.998 497 D CA 0.670 54.748 54.000 0.129 0.000 0.873 497 D CB 0.585 41.496 40.800 0.184 0.000 0.925 497 D HN 0.539 nan 8.370 nan 0.000 0.524 498 I N 1.028 121.609 120.570 0.019 0.000 2.545 498 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 498 I C -0.131 175.921 176.117 -0.107 0.000 1.040 498 I CA -0.876 60.402 61.300 -0.037 0.000 1.068 498 I CB 2.911 40.898 38.000 -0.023 0.000 1.251 498 I HN -0.358 nan 8.210 nan 0.000 0.424 499 I N 5.622 126.083 120.570 -0.182 0.000 2.406 499 I HA 0.062 4.232 4.170 -0.000 0.000 0.293 499 I C 0.148 176.057 176.117 -0.346 0.000 1.101 499 I CA -0.075 61.021 61.300 -0.339 0.000 1.334 499 I CB 0.105 37.800 38.000 -0.508 0.000 1.421 499 I HN 0.667 nan 8.210 nan 0.000 0.513 500 C N 6.150 125.272 119.300 -0.297 0.000 3.075 500 C HA 0.486 4.946 4.460 -0.000 0.000 0.262 500 C C -1.817 173.034 174.990 -0.232 0.000 1.371 500 C CA -2.322 56.563 59.018 -0.221 0.000 1.594 500 C CB -0.965 26.700 27.740 -0.124 0.000 1.849 500 C HN 0.432 nan 8.230 nan 0.000 0.475 501 P HA 0.337 nan 4.420 nan 0.000 0.274 501 P C -0.603 176.646 177.300 -0.086 0.000 1.260 501 P CA 0.151 63.149 63.100 -0.170 0.000 0.793 501 P CB 0.825 32.425 31.700 -0.168 0.000 1.048 502 M N -1.040 118.550 119.600 -0.017 0.000 2.106 502 M HA 0.438 4.918 4.480 -0.000 0.000 0.288 502 M C -1.222 175.076 176.300 -0.004 0.000 0.941 502 M CA -0.682 54.519 55.300 -0.165 0.000 0.934 502 M CB 1.529 34.048 32.600 -0.135 0.000 1.551 502 M HN 0.257 nan 8.290 nan 0.000 0.437 503 Y N -0.304 120.157 120.300 0.268 0.000 4.786 503 Y HA -0.183 4.366 4.550 -0.000 0.000 0.243 503 Y C 0.475 176.538 175.900 0.272 0.000 1.027 503 Y CA 0.558 58.819 58.100 0.268 0.000 2.052 503 Y CB -2.284 36.316 38.460 0.233 0.000 1.578 503 Y HN 1.001 nan 8.280 nan 0.000 0.655 504 A N 1.363 124.392 122.820 0.348 0.000 2.454 504 A HA 0.545 4.865 4.320 -0.000 0.000 0.260 504 A C 0.800 178.585 177.584 0.335 0.000 1.106 504 A CA -0.446 51.798 52.037 0.344 0.000 0.780 504 A CB 0.297 19.547 19.000 0.417 0.000 1.044 504 A HN 0.368 nan 8.150 nan 0.000 0.498 505 R N 1.763 122.393 120.500 0.216 0.000 2.649 505 R HA 0.246 4.586 4.340 -0.000 0.000 0.270 505 R C 1.069 177.320 176.300 -0.081 0.000 1.105 505 R CA -0.576 55.574 56.100 0.083 0.000 1.193 505 R CB 0.403 30.723 30.300 0.033 0.000 1.120 505 R HN 0.498 nan 8.270 nan 0.000 0.561 506 V N 0.785 120.482 119.914 -0.362 0.000 2.270 506 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 506 V C 0.994 176.961 176.094 -0.211 0.000 1.043 506 V CA 1.933 63.992 62.300 -0.402 0.000 1.014 506 V CB -0.290 31.175 31.823 -0.596 0.000 0.645 506 V HN 0.771 nan 8.190 nan 0.000 0.447 507 D N -1.520 118.792 120.400 -0.147 0.000 2.473 507 D HA 0.095 4.735 4.640 -0.000 0.000 0.230 507 D C 0.905 177.184 176.300 -0.034 0.000 1.097 507 D CA 0.009 53.960 54.000 -0.082 0.000 0.861 507 D CB 0.725 41.482 40.800 -0.071 0.000 1.114 507 D HN 0.527 nan 8.370 nan 0.000 0.500 508 E N 1.956 122.137 120.200 -0.032 0.000 2.227 508 E HA 0.141 4.491 4.350 -0.000 0.000 0.282 508 E C -0.902 175.692 176.600 -0.011 0.000 1.015 508 E CA -0.551 55.839 56.400 -0.017 0.000 0.823 508 E CB 0.999 30.686 29.700 -0.020 0.000 1.081 508 E HN -0.235 nan 8.360 nan 0.000 0.396 509 D N 3.486 123.881 120.400 -0.009 0.000 2.283 509 D HA 0.146 4.786 4.640 -0.000 0.000 0.248 509 D C -0.554 175.630 176.300 -0.194 0.000 1.072 509 D CA 0.091 54.074 54.000 -0.027 0.000 0.929 509 D CB 1.196 42.062 40.800 0.110 0.000 1.182 509 D HN 0.406 nan 8.370 nan 0.000 0.433 510 Q N 1.331 120.898 119.800 -0.387 0.000 3.122 510 Q HA 0.214 4.554 4.340 -0.000 0.000 0.282 510 Q C -2.184 173.239 176.000 -0.963 0.000 0.947 510 Q CA -1.465 53.921 55.803 -0.695 0.000 0.812 510 Q CB 1.965 30.286 28.738 -0.695 0.000 1.333 510 Q HN 0.224 nan 8.270 nan 0.000 0.430 511 P HA -0.097 nan 4.420 nan 0.000 0.248 511 P C -0.622 176.419 177.300 -0.433 0.000 1.553 511 P CA 0.236 62.967 63.100 -0.615 0.000 0.901 511 P CB -0.614 30.912 31.700 -0.291 0.000 1.816 512 F N 2.975 122.747 119.950 -0.297 0.000 2.553 512 F HA 0.155 4.682 4.527 -0.000 0.000 0.356 512 F C -0.990 174.702 175.800 -0.180 0.000 1.142 512 F CA -2.403 55.482 58.000 -0.193 0.000 1.322 512 F CB -0.807 38.094 39.000 -0.165 0.000 1.126 512 F HN 0.118 nan 8.300 nan 0.000 0.599 513 P HA 0.209 nan 4.420 nan 0.000 0.271 513 P C 0.181 177.492 177.300 0.018 0.000 1.216 513 P CA 0.911 64.027 63.100 0.026 0.000 0.776 513 P CB 1.494 33.208 31.700 0.023 0.000 0.881 514 A N 3.095 125.923 122.820 0.014 0.000 1.693 514 A HA -0.251 4.069 4.320 -0.000 0.000 0.227 514 A C 0.751 178.347 177.584 0.021 0.000 0.457 514 A CA 1.929 53.979 52.037 0.022 0.000 1.106 514 A CB -2.762 16.247 19.000 0.015 0.000 1.453 514 A HN 0.691 nan 8.150 nan 0.000 0.714 515 V N -2.440 117.477 119.914 0.005 0.000 2.361 515 V HA 0.596 4.716 4.120 -0.000 0.000 0.252 515 V C -2.081 174.004 176.094 -0.014 0.000 0.986 515 V CA -1.159 61.144 62.300 0.005 0.000 1.033 515 V CB 0.608 32.433 31.823 0.003 0.000 1.282 515 V HN 0.607 nan 8.190 nan 0.000 0.514 516 P HA 0.337 nan 4.420 nan 0.000 0.274 516 P C -0.751 176.188 177.300 -0.602 0.000 1.246 516 P CA -0.177 62.613 63.100 -0.518 0.000 0.795 516 P CB 1.269 32.267 31.700 -1.170 0.000 1.006 517 K N 1.673 121.745 120.400 -0.547 0.000 2.473 517 K HA 0.225 4.545 4.320 -0.000 0.000 0.246 517 K C -0.534 175.810 176.600 -0.427 0.000 1.011 517 K CA -0.280 55.863 56.287 -0.241 0.000 0.984 517 K CB 0.501 33.090 32.500 0.148 0.000 1.250 517 K HN 0.465 nan 8.250 nan 0.000 0.454 518 W N 1.311 122.319 121.300 -0.487 0.000 2.126 518 W HA 0.069 4.729 4.660 0.000 0.000 0.346 518 W C 1.290 177.820 176.519 0.019 0.000 1.279 518 W CA -0.517 56.615 57.345 -0.355 0.000 1.259 518 W CB 0.509 29.547 29.460 -0.704 0.000 1.133 518 W HN 0.369 nan 8.180 nan 0.000 0.592 519 S N 3.220 119.080 115.700 0.266 0.000 2.546 519 S HA -0.054 4.416 4.470 -0.000 0.000 0.290 519 S C 1.227 175.974 174.600 0.246 0.000 1.290 519 S CA -0.299 57.999 58.200 0.163 0.000 1.069 519 S CB 0.054 63.293 63.200 0.065 0.000 0.846 519 S HN 0.515 nan 8.310 nan 0.000 0.495 520 I N 2.364 123.053 120.570 0.199 0.000 2.315 520 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 520 I C 1.960 178.129 176.117 0.087 0.000 1.125 520 I CA 1.441 62.863 61.300 0.202 0.000 1.392 520 I CB -0.434 37.617 38.000 0.085 0.000 1.065 520 I HN 0.589 nan 8.210 nan 0.000 0.424 521 K N 1.487 121.843 120.400 -0.074 0.000 2.103 521 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 521 K C 2.275 178.898 176.600 0.039 0.000 1.052 521 K CA 1.500 57.675 56.287 -0.186 0.000 0.945 521 K CB -0.185 32.075 32.500 -0.399 0.000 0.722 521 K HN 0.389 nan 8.250 nan 0.000 0.443 522 K N 0.158 120.595 120.400 0.063 0.000 2.155 522 K HA -0.156 4.164 4.320 -0.000 0.000 0.203 522 K C 1.814 178.451 176.600 0.061 0.000 1.052 522 K CA 0.759 57.065 56.287 0.033 0.000 0.948 522 K CB -0.035 32.451 32.500 -0.024 0.000 0.728 522 K HN 0.202 nan 8.250 nan 0.000 0.448 523 W N 2.038 123.337 121.300 -0.001 0.000 2.335 523 W HA -0.180 4.479 4.660 -0.000 0.000 0.311 523 W C 1.610 178.123 176.519 -0.010 0.000 1.213 523 W CA 1.173 58.528 57.345 0.016 0.000 1.274 523 W CB -0.609 28.927 29.460 0.125 0.000 1.148 523 W HN 0.086 nan 8.180 nan 0.000 0.498 524 L N 0.798 122.193 121.223 0.287 0.000 2.079 524 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 524 L C 2.330 179.274 176.870 0.123 0.000 1.081 524 L CA 1.976 56.915 54.840 0.166 0.000 0.752 524 L CB -1.049 41.095 42.059 0.141 0.000 0.896 524 L HN -0.019 nan 8.230 nan 0.000 0.433 525 S N -1.306 114.452 115.700 0.096 0.000 2.577 525 S HA 0.205 4.675 4.470 -0.000 0.000 0.219 525 S C 0.619 175.213 174.600 -0.010 0.000 0.962 525 S CA -0.500 57.725 58.200 0.041 0.000 0.921 525 S CB -0.452 62.768 63.200 0.033 0.000 0.789 525 S HN 0.170 nan 8.310 nan 0.000 0.497 526 L N 2.354 123.564 121.223 -0.022 0.000 2.525 526 L HA 0.198 4.538 4.340 -0.000 0.000 0.278 526 L C -2.187 174.652 176.870 -0.052 0.000 1.218 526 L CA -1.642 53.133 54.840 -0.109 0.000 0.878 526 L CB -0.199 41.765 42.059 -0.158 0.000 1.127 526 L HN 0.048 nan 8.230 nan 0.000 0.492 527 P HA -0.086 nan 4.420 nan 0.000 0.259 527 P C 0.776 178.070 177.300 -0.011 0.000 1.163 527 P CA 1.359 64.436 63.100 -0.039 0.000 0.760 527 P CB 0.469 32.138 31.700 -0.052 0.000 0.762 528 G N 2.068 110.869 108.800 0.002 0.000 2.363 528 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.238 528 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.238 528 G C 0.399 175.317 174.900 0.030 0.000 1.062 528 G CA 0.229 45.339 45.100 0.016 0.000 0.629 528 G HN 0.636 nan 8.290 nan 0.000 0.514 529 E N 1.421 121.646 120.200 0.043 0.000 2.413 529 E HA 0.489 4.839 4.350 -0.000 0.000 0.263 529 E C 1.419 178.048 176.600 0.048 0.000 1.015 529 E CA 1.259 57.698 56.400 0.066 0.000 0.916 529 E CB 0.661 30.431 29.700 0.116 0.000 0.947 529 E HN 0.773 nan 8.360 nan 0.000 0.440 530 T N 0.364 114.942 114.554 0.042 0.000 3.191 530 T HA 0.283 4.633 4.350 -0.000 0.000 0.285 530 T C 0.593 175.305 174.700 0.020 0.000 0.887 530 T CA -0.490 61.628 62.100 0.029 0.000 0.881 530 T CB 0.007 68.890 68.868 0.026 0.000 1.217 530 T HN 0.277 nan 8.240 nan 0.000 0.591 531 R N 2.492 123.000 120.500 0.014 0.000 2.801 531 R HA 0.413 4.753 4.340 -0.000 0.000 0.273 531 R C -2.444 173.840 176.300 -0.026 0.000 1.080 531 R CA -1.456 54.641 56.100 -0.005 0.000 1.197 531 R CB 0.043 30.332 30.300 -0.018 0.000 1.109 531 R HN 0.275 nan 8.270 nan 0.000 0.535 532 P HA 0.135 nan 4.420 nan 0.000 0.286 532 P C -1.200 176.035 177.300 -0.109 0.000 1.261 532 P CA -0.212 62.851 63.100 -0.062 0.000 0.821 532 P CB 0.948 32.614 31.700 -0.057 0.000 1.013 533 L N 4.002 125.144 121.223 -0.135 0.000 2.319 533 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 533 L C -0.818 175.917 176.870 -0.225 0.000 1.005 533 L CA -0.761 53.960 54.840 -0.199 0.000 0.828 533 L CB 0.395 42.332 42.059 -0.204 0.000 1.227 533 L HN 0.266 nan 8.230 nan 0.000 0.415 534 I N 5.817 126.257 120.570 -0.216 0.000 2.468 534 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 534 I C -0.681 175.345 176.117 -0.153 0.000 1.038 534 I CA -0.628 60.534 61.300 -0.231 0.000 1.083 534 I CB 1.890 39.810 38.000 -0.134 0.000 1.223 534 I HN 0.465 nan 8.210 nan 0.000 0.443 535 L N 5.584 126.689 121.223 -0.198 0.000 2.513 535 L HA -0.004 4.336 4.340 -0.000 0.000 0.272 535 L C 1.479 178.406 176.870 0.095 0.000 1.187 535 L CA -0.066 54.713 54.840 -0.101 0.000 0.895 535 L CB 0.447 42.409 42.059 -0.162 0.000 1.147 535 L HN 0.851 nan 8.230 nan 0.000 0.483 536 C N 0.091 119.428 119.300 0.061 0.000 2.500 536 C HA 0.216 4.676 4.460 -0.000 0.000 0.273 536 C C 0.564 175.666 174.990 0.187 0.000 1.428 536 C CA -0.317 58.761 59.018 0.099 0.000 1.766 536 C CB -1.237 26.488 27.740 -0.026 0.000 1.817 536 C HN 0.841 nan 8.230 nan 0.000 0.543 537 E N -0.658 119.605 120.200 0.105 0.000 2.388 537 E HA 0.541 4.891 4.350 -0.000 0.000 0.289 537 E C -1.501 174.978 176.600 -0.202 0.000 0.944 537 E CA -0.348 56.082 56.400 0.050 0.000 0.792 537 E CB 1.930 31.533 29.700 -0.162 0.000 1.239 537 E HN 0.545 nan 8.360 nan 0.000 0.412 538 Y N -0.587 119.620 120.300 -0.155 0.000 2.641 538 Y HA 0.612 5.162 4.550 -0.000 0.000 0.333 538 Y C -0.785 175.221 175.900 0.177 0.000 1.174 538 Y CA -0.777 57.245 58.100 -0.129 0.000 1.057 538 Y CB 0.637 38.899 38.460 -0.330 0.000 1.322 538 Y HN 0.720 nan 8.280 nan 0.000 0.457 539 A N 2.039 124.877 122.820 0.030 0.000 2.546 539 A HA -0.230 4.090 4.320 -0.000 0.000 0.295 539 A C -0.307 177.397 177.584 0.201 0.000 1.455 539 A CA 0.885 52.950 52.037 0.047 0.000 0.730 539 A CB -2.612 16.291 19.000 -0.162 0.000 1.111 539 A HN 1.266 nan 8.150 nan 0.000 0.411 540 H N 0.504 119.734 119.070 0.268 0.000 3.226 540 H HA 0.226 4.782 4.556 -0.000 0.000 0.260 540 H C 1.160 176.551 175.328 0.106 0.000 0.967 540 H CA 0.925 57.144 56.048 0.284 0.000 1.435 540 H CB 0.409 30.227 29.762 0.094 0.000 1.533 540 H HN 0.857 nan 8.280 nan 0.000 0.525 541 A N 6.692 129.455 122.820 -0.095 0.000 3.019 541 A HA 0.055 4.375 4.320 -0.000 0.000 0.262 541 A C 0.897 178.335 177.584 -0.243 0.000 1.509 541 A CA -0.390 51.542 52.037 -0.174 0.000 1.159 541 A CB -0.645 18.224 19.000 -0.218 0.000 1.042 541 A HN 0.799 nan 8.150 nan 0.000 0.641 542 M N 1.491 120.960 119.600 -0.219 0.000 2.193 542 M HA 0.450 4.930 4.480 -0.000 0.000 0.342 542 M C 0.919 177.059 176.300 -0.267 0.000 1.413 542 M CA 1.229 56.394 55.300 -0.225 0.000 1.191 542 M CB -0.354 32.176 32.600 -0.117 0.000 1.633 542 M HN 0.836 nan 8.290 nan 0.000 0.458 543 G N 4.533 113.131 108.800 -0.335 0.000 2.531 543 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.274 543 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.274 543 G C -0.218 174.087 174.900 -0.992 0.000 1.159 543 G CA 0.204 44.890 45.100 -0.691 0.000 0.969 543 G HN 0.825 nan 8.290 nan 0.000 0.554 544 N N 1.343 119.422 118.700 -1.035 0.000 2.739 544 N HA 0.530 5.270 4.740 -0.000 0.000 0.266 544 N C 0.145 175.431 175.510 -0.373 0.000 1.168 544 N CA 1.046 53.707 53.050 -0.649 0.000 1.055 544 N CB 0.409 38.624 38.487 -0.453 0.000 1.393 544 N HN 0.763 nan 8.380 nan 0.000 0.514 545 S N 1.691 117.231 115.700 -0.266 0.000 3.137 545 S HA 0.561 5.031 4.470 -0.000 0.000 0.292 545 S C 0.024 174.555 174.600 -0.115 0.000 1.041 545 S CA -0.361 57.738 58.200 -0.169 0.000 0.956 545 S CB 0.034 63.156 63.200 -0.129 0.000 1.360 545 S HN 0.346 nan 8.310 nan 0.000 0.690 546 L N 0.175 121.361 121.223 -0.063 0.000 4.351 546 L HA -0.065 4.275 4.340 -0.000 0.000 0.410 546 L C 0.347 177.248 176.870 0.051 0.000 1.150 546 L CA 0.937 55.761 54.840 -0.027 0.000 0.961 546 L CB -1.714 40.239 42.059 -0.177 0.000 2.130 546 L HN 0.661 nan 8.230 nan 0.000 0.787 547 G N -1.080 107.725 108.800 0.009 0.000 2.403 547 G HA2 0.523 4.483 3.960 -0.000 0.000 0.259 547 G HA3 0.523 4.483 3.960 -0.000 0.000 0.259 547 G C 1.156 176.077 174.900 0.034 0.000 1.244 547 G CA 0.045 45.124 45.100 -0.034 0.000 0.849 547 G HN 1.359 nan 8.290 nan 0.000 0.532 548 G N 1.336 110.148 108.800 0.019 0.000 2.157 548 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 548 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 548 G C 0.966 176.024 174.900 0.264 0.000 0.979 548 G CA 0.738 45.892 45.100 0.089 0.000 0.650 548 G HN 0.803 nan 8.290 nan 0.000 0.529 549 F N 1.778 121.832 119.950 0.174 0.000 2.134 549 F HA 0.198 4.725 4.527 0.000 0.000 0.299 549 F C 2.628 178.633 175.800 0.341 0.000 1.097 549 F CA 2.390 60.568 58.000 0.297 0.000 1.264 549 F CB -0.372 38.746 39.000 0.198 0.000 1.001 549 F HN 0.325 nan 8.300 nan 0.000 0.479 550 A N -0.107 122.897 122.820 0.306 0.000 2.019 550 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 550 A C 2.290 179.913 177.584 0.065 0.000 1.164 550 A CA 1.790 53.938 52.037 0.185 0.000 0.644 550 A CB -0.830 18.278 19.000 0.180 0.000 0.805 550 A HN 0.469 nan 8.150 nan 0.000 0.449 551 K N -1.749 118.665 120.400 0.023 0.000 2.097 551 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 551 K C 1.704 178.108 176.600 -0.326 0.000 1.049 551 K CA 1.516 57.735 56.287 -0.114 0.000 0.933 551 K CB -0.310 32.113 32.500 -0.128 0.000 0.717 551 K HN 0.522 nan 8.250 nan 0.000 0.442 552 Y N -0.626 119.406 120.300 -0.446 0.000 2.145 552 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 552 Y C 1.920 176.891 175.900 -1.549 0.000 1.145 552 Y CA 1.726 59.221 58.100 -1.008 0.000 1.148 552 Y CB -0.370 37.497 38.460 -0.988 0.000 0.981 552 Y HN 0.175 nan 8.280 nan 0.000 0.507 553 W N -0.196 120.695 121.300 -0.682 0.000 2.388 553 W HA -0.175 4.485 4.660 -0.000 0.000 0.294 553 W C 2.595 178.955 176.519 -0.266 0.000 1.212 553 W CA 1.297 58.371 57.345 -0.453 0.000 1.271 553 W CB -0.597 28.683 29.460 -0.299 0.000 1.126 553 W HN 0.018 nan 8.180 nan 0.000 0.535 554 Q N 0.964 120.709 119.800 -0.092 0.000 2.077 554 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 554 Q C 2.208 178.163 176.000 -0.074 0.000 0.989 554 Q CA 2.354 58.130 55.803 -0.046 0.000 0.853 554 Q CB -0.750 27.960 28.738 -0.046 0.000 0.907 554 Q HN 0.283 nan 8.270 nan 0.000 0.418 555 A N -0.065 122.618 122.820 -0.229 0.000 1.898 555 A HA -0.126 4.193 4.320 -0.000 0.000 0.216 555 A C 1.876 179.419 177.584 -0.069 0.000 1.181 555 A CA 1.183 53.086 52.037 -0.223 0.000 0.620 555 A CB -0.771 17.962 19.000 -0.444 0.000 0.819 555 A HN 0.364 nan 8.150 nan 0.000 0.442 556 F N 0.303 120.100 119.950 -0.254 0.000 2.126 556 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 556 F C 2.532 178.257 175.800 -0.124 0.000 1.096 556 F CA 1.233 59.057 58.000 -0.293 0.000 1.255 556 F CB -0.779 37.863 39.000 -0.597 0.000 0.997 556 F HN 0.188 nan 8.300 nan 0.000 0.479 557 R N -0.231 120.352 120.500 0.138 0.000 2.115 557 R HA -0.147 4.193 4.340 -0.000 0.000 0.226 557 R C 2.122 178.470 176.300 0.081 0.000 1.100 557 R CA 1.156 57.309 56.100 0.088 0.000 0.980 557 R CB -0.463 29.880 30.300 0.072 0.000 0.875 557 R HN 0.399 nan 8.270 nan 0.000 0.445 558 Q N -0.168 119.713 119.800 0.134 0.000 2.187 558 Q HA -0.060 4.280 4.340 -0.000 0.000 0.199 558 Q C -0.406 175.670 176.000 0.127 0.000 0.957 558 Q CA 0.889 56.776 55.803 0.139 0.000 0.857 558 Q CB 0.341 29.205 28.738 0.210 0.000 0.929 558 Q HN 0.171 nan 8.270 nan 0.000 0.453 559 Y N 0.555 120.845 120.300 -0.016 0.000 2.404 559 Y HA 0.268 4.818 4.550 -0.000 0.000 0.344 559 Y C -1.785 174.096 175.900 -0.031 0.000 0.970 559 Y CA -2.893 55.197 58.100 -0.018 0.000 1.180 559 Y CB 1.234 39.688 38.460 -0.009 0.000 1.138 559 Y HN 0.150 nan 8.280 nan 0.000 0.510 560 P HA -0.216 nan 4.420 nan 0.000 0.216 560 P C 1.082 178.383 177.300 0.003 0.000 1.157 560 P CA 2.034 65.134 63.100 0.001 0.000 0.880 560 P CB 0.291 31.975 31.700 -0.026 0.000 0.791 561 R N -1.328 119.193 120.500 0.034 0.000 2.313 561 R HA 0.138 4.478 4.340 -0.000 0.000 0.199 561 R C 0.419 176.708 176.300 -0.017 0.000 0.958 561 R CA 0.018 56.122 56.100 0.007 0.000 1.047 561 R CB -0.364 29.950 30.300 0.023 0.000 0.955 561 R HN 0.236 nan 8.270 nan 0.000 0.481 562 L N 1.874 123.107 121.223 0.016 0.000 2.328 562 L HA 0.151 4.491 4.340 -0.000 0.000 0.280 562 L C 0.454 177.194 176.870 -0.216 0.000 1.111 562 L CA 0.099 54.910 54.840 -0.049 0.000 0.909 562 L CB 1.058 43.167 42.059 0.084 0.000 1.277 562 L HN 0.089 nan 8.230 nan 0.000 0.433 563 Q N 2.385 121.986 119.800 -0.331 0.000 2.228 563 Q HA 0.276 4.616 4.340 -0.000 0.000 0.211 563 Q C 0.864 176.444 176.000 -0.700 0.000 0.890 563 Q CA 0.126 55.682 55.803 -0.412 0.000 0.953 563 Q CB 0.737 29.323 28.738 -0.255 0.000 1.053 563 Q HN 0.909 nan 8.270 nan 0.000 0.471 564 G N -0.755 107.223 108.800 -1.371 0.000 2.428 564 G HA2 0.106 4.066 3.960 -0.000 0.000 0.202 564 G HA3 0.106 4.066 3.960 -0.000 0.000 0.202 564 G C -0.295 173.782 174.900 -1.373 0.000 1.247 564 G CA -0.786 43.189 45.100 -1.875 0.000 1.020 564 G HN 0.542 nan 8.290 nan 0.000 0.529 565 G N -2.364 105.902 108.800 -0.889 0.000 2.428 565 G HA2 0.663 4.623 3.960 -0.000 0.000 0.304 565 G HA3 0.663 4.623 3.960 -0.000 0.000 0.304 565 G C -1.981 172.832 174.900 -0.144 0.000 1.303 565 G CA -0.248 44.579 45.100 -0.455 0.000 0.825 565 G HN 1.183 nan 8.290 nan 0.000 0.484 566 F N 0.710 120.866 119.950 0.343 0.000 2.496 566 F HA 0.514 5.040 4.527 -0.000 0.000 0.341 566 F C 0.655 176.737 175.800 0.471 0.000 1.134 566 F CA -0.744 57.500 58.000 0.407 0.000 0.968 566 F CB 2.017 41.156 39.000 0.231 0.000 1.205 566 F HN 0.268 nan 8.300 nan 0.000 0.436 567 V N 3.053 123.271 119.914 0.506 0.000 2.901 567 V HA -0.129 3.991 4.120 -0.000 0.000 0.307 567 V C -0.293 175.956 176.094 0.259 0.000 1.084 567 V CA -0.159 62.241 62.300 0.166 0.000 1.184 567 V CB 0.696 32.639 31.823 0.200 0.000 0.941 567 V HN 0.780 nan 8.190 nan 0.000 0.493 568 W N 6.269 127.626 121.300 0.095 0.000 2.393 568 W HA 0.464 5.124 4.660 -0.000 0.000 0.315 568 W C -0.837 175.665 176.519 -0.028 0.000 1.009 568 W CA -0.669 56.760 57.345 0.140 0.000 1.313 568 W CB 1.437 31.122 29.460 0.374 0.000 1.269 568 W HN 0.931 nan 8.180 nan 0.000 0.420 569 D N 2.727 122.843 120.400 -0.474 0.000 2.895 569 D HA 0.076 4.716 4.640 -0.000 0.000 0.320 569 D C 0.561 176.656 176.300 -0.342 0.000 1.249 569 D CA -0.463 53.151 54.000 -0.643 0.000 0.997 569 D CB 0.352 40.205 40.800 -1.579 0.000 1.430 569 D HN 0.428 nan 8.370 nan 0.000 0.558 570 W N 0.489 121.477 121.300 -0.522 0.000 2.381 570 W HA 0.084 4.743 4.660 -0.000 0.000 0.323 570 W C 0.235 176.516 176.519 -0.396 0.000 1.194 570 W CA 1.142 58.230 57.345 -0.429 0.000 1.296 570 W CB 0.199 29.434 29.460 -0.374 0.000 1.175 570 W HN 0.122 nan 8.180 nan 0.000 0.465 571 V N 2.367 122.018 119.914 -0.438 0.000 2.769 571 V HA 0.243 4.363 4.120 -0.000 0.000 0.312 571 V C -0.746 175.127 176.094 -0.368 0.000 1.061 571 V CA -0.816 61.169 62.300 -0.526 0.000 0.931 571 V CB 1.535 33.130 31.823 -0.380 0.000 1.010 571 V HN -0.054 nan 8.190 nan 0.000 0.433 572 D N 3.913 124.112 120.400 -0.335 0.000 2.458 572 D HA 0.116 4.756 4.640 -0.000 0.000 0.243 572 D C 0.104 176.235 176.300 -0.282 0.000 1.146 572 D CA 0.600 54.461 54.000 -0.232 0.000 0.877 572 D CB 0.957 41.721 40.800 -0.060 0.000 1.176 572 D HN 0.592 nan 8.370 nan 0.000 0.461 573 Q N 1.279 120.836 119.800 -0.405 0.000 3.150 573 Q HA 0.147 4.487 4.340 -0.000 0.000 0.297 573 Q C -0.267 175.690 176.000 -0.071 0.000 1.382 573 Q CA -0.324 54.992 55.803 -0.813 0.000 1.059 573 Q CB 0.153 28.536 28.738 -0.593 0.000 1.559 573 Q HN 0.340 nan 8.270 nan 0.000 0.548 574 S N 0.142 115.928 115.700 0.144 0.000 2.549 574 S HA 0.675 5.145 4.470 -0.000 0.000 0.297 574 S C -0.210 174.539 174.600 0.248 0.000 1.115 574 S CA -0.839 57.539 58.200 0.298 0.000 1.059 574 S CB 1.581 64.924 63.200 0.238 0.000 1.046 574 S HN 0.326 nan 8.310 nan 0.000 0.506 575 L N 1.992 123.256 121.223 0.068 0.000 2.330 575 L HA 0.547 4.886 4.340 -0.000 0.000 0.271 575 L C -0.414 176.349 176.870 -0.178 0.000 1.013 575 L CA -1.219 53.528 54.840 -0.154 0.000 0.816 575 L CB 1.248 43.020 42.059 -0.478 0.000 1.287 575 L HN 0.530 nan 8.230 nan 0.000 0.435 576 I N 2.412 122.830 120.570 -0.253 0.000 2.371 576 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 576 I C 0.174 175.896 176.117 -0.658 0.000 1.028 576 I CA -0.003 61.018 61.300 -0.466 0.000 1.345 576 I CB 1.059 38.822 38.000 -0.396 0.000 1.407 576 I HN 0.608 nan 8.210 nan 0.000 0.501 577 K N 5.553 125.264 120.400 -1.148 0.000 2.313 577 K HA 0.618 4.938 4.320 -0.000 0.000 0.235 577 K C -1.584 174.275 176.600 -1.234 0.000 1.035 577 K CA -0.728 54.872 56.287 -1.144 0.000 0.868 577 K CB 2.192 33.770 32.500 -1.536 0.000 1.232 577 K HN 0.226 nan 8.250 nan 0.000 0.459 578 Y N 0.628 120.764 120.300 -0.273 0.000 2.442 578 Y HA 0.133 4.683 4.550 0.001 0.000 0.344 578 Y C -0.051 176.003 175.900 0.258 0.000 0.976 578 Y CA -1.251 56.872 58.100 0.038 0.000 1.040 578 Y CB 1.373 39.830 38.460 -0.006 0.000 1.228 578 Y HN 0.643 nan 8.280 nan 0.000 0.451 579 D N 1.447 122.132 120.400 0.476 0.000 2.433 579 D HA -0.001 4.639 4.640 -0.000 0.000 0.255 579 D C 0.921 177.327 176.300 0.177 0.000 1.226 579 D CA -0.288 53.884 54.000 0.286 0.000 1.015 579 D CB 0.728 41.622 40.800 0.157 0.000 1.091 579 D HN 0.685 nan 8.370 nan 0.000 0.527 580 E N 0.687 120.946 120.200 0.099 0.000 2.114 580 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 580 E C 1.051 177.686 176.600 0.059 0.000 1.008 580 E CA 1.213 57.650 56.400 0.061 0.000 0.810 580 E CB -0.747 28.971 29.700 0.030 0.000 0.739 580 E HN 0.464 nan 8.360 nan 0.000 0.456 581 N N 0.964 119.705 118.700 0.068 0.000 2.512 581 N HA -0.009 4.731 4.740 -0.000 0.000 0.183 581 N C 1.117 176.673 175.510 0.076 0.000 1.073 581 N CA 1.232 54.318 53.050 0.060 0.000 0.911 581 N CB 0.303 38.824 38.487 0.057 0.000 0.964 581 N HN 0.492 nan 8.380 nan 0.000 0.447 582 G N 0.769 109.641 108.800 0.120 0.000 2.142 582 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.225 582 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.225 582 G C -0.561 174.487 174.900 0.247 0.000 1.015 582 G CA -0.376 44.801 45.100 0.129 0.000 0.716 582 G HN 0.373 nan 8.290 nan 0.000 0.508 583 N N 1.555 120.426 118.700 0.286 0.000 2.443 583 N HA 0.614 5.354 4.740 -0.000 0.000 0.295 583 N C -2.259 173.437 175.510 0.311 0.000 1.076 583 N CA -1.411 51.806 53.050 0.278 0.000 0.919 583 N CB 2.213 40.811 38.487 0.185 0.000 1.176 583 N HN 0.149 nan 8.380 nan 0.000 0.487 584 P HA 0.246 nan 4.420 nan 0.000 0.282 584 P C -1.016 176.247 177.300 -0.062 0.000 1.249 584 P CA -0.403 62.536 63.100 -0.269 0.000 0.806 584 P CB 0.717 32.270 31.700 -0.245 0.000 0.984 585 W N -0.274 120.795 121.300 -0.385 0.000 3.296 585 W HA 0.360 5.019 4.660 -0.001 0.000 0.314 585 W C -1.493 174.837 176.519 -0.315 0.000 1.238 585 W CA -1.011 56.116 57.345 -0.364 0.000 1.193 585 W CB 0.299 29.367 29.460 -0.653 0.000 1.383 585 W HN 0.127 nan 8.180 nan 0.000 0.545 586 S N 1.794 117.500 115.700 0.011 0.000 2.481 586 S HA 0.548 5.018 4.470 -0.000 0.000 0.276 586 S C 0.227 174.912 174.600 0.142 0.000 1.247 586 S CA -0.066 58.145 58.200 0.019 0.000 1.053 586 S CB 0.733 64.016 63.200 0.138 0.000 0.925 586 S HN 0.614 nan 8.310 nan 0.000 0.491 587 A N 2.962 125.756 122.820 -0.043 0.000 2.354 587 A HA 0.910 5.230 4.320 -0.000 0.000 0.321 587 A C -0.703 177.114 177.584 0.388 0.000 1.125 587 A CA -0.757 51.325 52.037 0.076 0.000 0.799 587 A CB 0.805 19.603 19.000 -0.336 0.000 1.293 587 A HN 0.841 nan 8.150 nan 0.000 0.452 588 Y N -0.857 119.789 120.300 0.576 0.000 3.265 588 Y HA 0.758 5.308 4.550 0.000 0.000 0.285 588 Y C 0.722 176.989 175.900 0.612 0.000 1.889 588 Y CA -1.353 57.092 58.100 0.575 0.000 1.021 588 Y CB -0.212 38.377 38.460 0.216 0.000 1.513 588 Y HN 0.981 nan 8.280 nan 0.000 0.543 589 G N 0.111 109.350 108.800 0.731 0.000 2.138 589 G HA2 0.350 4.310 3.960 -0.000 0.000 0.244 589 G HA3 0.350 4.310 3.960 -0.000 0.000 0.244 589 G C 1.037 176.292 174.900 0.591 0.000 1.166 589 G CA 0.717 46.174 45.100 0.595 0.000 0.902 589 G HN 1.991 nan 8.290 nan 0.000 0.460 590 G N 2.487 111.584 108.800 0.495 0.000 2.347 590 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.247 590 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.247 590 G C 1.016 176.154 174.900 0.397 0.000 1.037 590 G CA 0.718 46.056 45.100 0.397 0.000 0.622 590 G HN 0.673 nan 8.290 nan 0.000 0.521 591 D N -0.014 120.655 120.400 0.448 0.000 2.411 591 D HA 0.040 4.680 4.640 -0.000 0.000 0.226 591 D C 1.082 177.375 176.300 -0.010 0.000 0.988 591 D CA 0.763 54.907 54.000 0.240 0.000 0.938 591 D CB -0.234 40.681 40.800 0.192 0.000 0.883 591 D HN 0.484 nan 8.370 nan 0.000 0.525 592 F N -1.206 118.880 119.950 0.227 0.000 2.775 592 F HA 0.306 4.833 4.527 -0.000 0.000 0.313 592 F C 1.743 177.638 175.800 0.157 0.000 1.121 592 F CA -0.222 57.872 58.000 0.157 0.000 1.206 592 F CB 0.791 39.880 39.000 0.148 0.000 1.052 592 F HN -0.056 nan 8.300 nan 0.000 0.524 593 G N 0.369 109.334 108.800 0.275 0.000 2.184 593 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 593 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 593 G C -0.042 175.001 174.900 0.238 0.000 0.975 593 G CA 0.237 45.464 45.100 0.211 0.000 0.642 593 G HN 0.424 nan 8.290 nan 0.000 0.536 594 D N 0.444 121.036 120.400 0.321 0.000 2.458 594 D HA 0.474 5.114 4.640 -0.000 0.000 0.243 594 D C 0.134 176.564 176.300 0.217 0.000 1.146 594 D CA 1.089 55.264 54.000 0.292 0.000 0.877 594 D CB 1.520 42.546 40.800 0.378 0.000 1.176 594 D HN 0.527 nan 8.370 nan 0.000 0.461 595 T N 1.085 115.737 114.554 0.163 0.000 3.225 595 T HA 0.386 4.736 4.350 -0.000 0.000 0.356 595 T C -2.896 171.852 174.700 0.080 0.000 1.460 595 T CA -1.148 61.018 62.100 0.110 0.000 1.126 595 T CB 0.982 69.915 68.868 0.108 0.000 1.321 595 T HN 0.210 nan 8.240 nan 0.000 0.478 596 P HA 0.450 nan 4.420 nan 0.000 0.271 596 P C -0.911 176.382 177.300 -0.012 0.000 1.218 596 P CA -0.275 62.831 63.100 0.010 0.000 0.780 596 P CB 0.376 32.060 31.700 -0.026 0.000 0.901 597 N N -1.002 117.691 118.700 -0.012 0.000 2.405 597 N HA 0.318 5.058 4.740 -0.000 0.000 0.285 597 N C -1.231 174.219 175.510 -0.101 0.000 1.262 597 N CA -0.803 52.216 53.050 -0.052 0.000 0.773 597 N CB 1.152 39.704 38.487 0.109 0.000 1.490 597 N HN 0.079 nan 8.380 nan 0.000 0.486 598 D N 0.867 121.137 120.400 -0.217 0.000 3.088 598 D HA 0.215 4.855 4.640 -0.000 0.000 0.310 598 D C 0.244 176.653 176.300 0.183 0.000 1.351 598 D CA -0.244 53.675 54.000 -0.135 0.000 0.921 598 D CB 0.164 40.731 40.800 -0.388 0.000 1.045 598 D HN 0.409 nan 8.370 nan 0.000 0.504 599 R N 1.060 121.669 120.500 0.182 0.000 3.682 599 R HA -0.245 4.095 4.340 -0.000 0.000 0.519 599 R C 1.292 177.583 176.300 -0.016 0.000 0.241 599 R CA 1.351 57.539 56.100 0.147 0.000 1.619 599 R CB -1.348 28.970 30.300 0.029 0.000 0.923 599 R HN 0.389 nan 8.270 nan 0.000 0.598 600 Q N 1.197 120.728 119.800 -0.447 0.000 2.201 600 Q HA 0.119 4.459 4.340 -0.000 0.000 0.217 600 Q C 1.248 177.003 176.000 -0.409 0.000 0.860 600 Q CA 0.447 55.772 55.803 -0.795 0.000 0.984 600 Q CB 0.007 28.013 28.738 -1.219 0.000 1.095 600 Q HN 0.501 nan 8.270 nan 0.000 0.477 601 F N 1.352 121.229 119.950 -0.122 0.000 2.771 601 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 601 F C 1.688 177.482 175.800 -0.009 0.000 1.177 601 F CA 0.496 58.501 58.000 0.008 0.000 1.450 601 F CB 0.079 39.125 39.000 0.077 0.000 1.114 601 F HN 0.425 nan 8.300 nan 0.000 0.587 602 C N -1.644 117.476 119.300 -0.300 0.000 2.697 602 C HA 0.347 4.807 4.460 -0.000 0.000 0.267 602 C C 0.855 175.662 174.990 -0.305 0.000 1.278 602 C CA -0.531 58.156 59.018 -0.551 0.000 1.708 602 C CB -1.590 25.236 27.740 -1.523 0.000 1.860 602 C HN 0.165 nan 8.230 nan 0.000 0.589 603 M N 2.581 122.044 119.600 -0.229 0.000 2.065 603 M HA 0.285 4.765 4.480 -0.000 0.000 0.332 603 M C -0.422 175.764 176.300 -0.190 0.000 0.988 603 M CA 0.342 55.534 55.300 -0.179 0.000 0.944 603 M CB -0.057 32.476 32.600 -0.111 0.000 1.357 603 M HN 0.356 nan 8.290 nan 0.000 0.388 604 N N 0.792 119.370 118.700 -0.204 0.000 2.241 604 N HA 0.189 4.929 4.740 -0.000 0.000 0.238 604 N C 0.494 175.780 175.510 -0.374 0.000 1.244 604 N CA -0.565 52.322 53.050 -0.271 0.000 0.880 604 N CB 1.247 39.642 38.487 -0.154 0.000 1.179 604 N HN 0.639 nan 8.380 nan 0.000 0.513 605 G N 0.084 108.620 108.800 -0.440 0.000 2.562 605 G HA2 0.328 4.288 3.960 -0.000 0.000 0.275 605 G HA3 0.328 4.288 3.960 -0.000 0.000 0.275 605 G C 0.647 175.032 174.900 -0.858 0.000 1.196 605 G CA -0.497 44.236 45.100 -0.611 0.000 0.908 605 G HN 0.118 nan 8.290 nan 0.000 0.524 606 L N -0.325 120.415 121.223 -0.806 0.000 2.558 606 L HA 0.196 4.536 4.340 -0.000 0.000 0.225 606 L C 0.544 176.806 176.870 -1.013 0.000 1.128 606 L CA 0.131 54.525 54.840 -0.742 0.000 0.868 606 L CB -0.109 41.711 42.059 -0.399 0.000 1.006 606 L HN 0.380 nan 8.230 nan 0.000 0.454 607 V N -5.339 113.843 119.914 -1.221 0.000 3.049 607 V HA 0.504 4.624 4.120 -0.000 0.000 0.309 607 V C -0.437 175.224 176.094 -0.721 0.000 1.148 607 V CA -1.196 60.564 62.300 -0.900 0.000 0.990 607 V CB 1.712 33.018 31.823 -0.862 0.000 1.039 607 V HN -0.142 nan 8.190 nan 0.000 0.430 608 F N 1.646 121.526 119.950 -0.117 0.000 2.440 608 F HA 0.636 5.163 4.527 0.000 0.000 0.323 608 F C 1.967 177.692 175.800 -0.125 0.000 1.192 608 F CA 0.501 58.498 58.000 -0.005 0.000 1.252 608 F CB 0.869 39.894 39.000 0.042 0.000 1.214 608 F HN 0.820 nan 8.300 nan 0.000 0.578 609 A N 0.835 123.740 122.820 0.141 0.000 1.997 609 A HA -0.239 4.081 4.320 -0.000 0.000 0.221 609 A C 1.600 179.152 177.584 -0.054 0.000 1.172 609 A CA 2.071 54.136 52.037 0.046 0.000 0.645 609 A CB -1.055 18.005 19.000 0.099 0.000 0.813 609 A HN 0.795 nan 8.150 nan 0.000 0.454 610 D N -2.475 117.914 120.400 -0.018 0.000 2.352 610 D HA 0.148 4.788 4.640 -0.000 0.000 0.236 610 D C 0.270 176.544 176.300 -0.043 0.000 1.148 610 D CA -0.155 53.803 54.000 -0.069 0.000 0.844 610 D CB -0.178 40.590 40.800 -0.053 0.000 0.933 610 D HN 0.147 nan 8.370 nan 0.000 0.507 611 R N -0.950 119.511 120.500 -0.065 0.000 3.875 611 R HA -0.131 4.209 4.340 -0.000 0.000 0.321 611 R C -0.493 175.786 176.300 -0.034 0.000 1.196 611 R CA 0.858 56.901 56.100 -0.094 0.000 0.868 611 R CB -3.224 27.055 30.300 -0.035 0.000 1.333 611 R HN 0.230 nan 8.270 nan 0.000 0.522 612 T N 1.757 116.354 114.554 0.071 0.000 2.780 612 T HA 0.384 4.734 4.350 -0.000 0.000 0.294 612 T C -2.254 172.555 174.700 0.181 0.000 0.949 612 T CA -1.234 60.956 62.100 0.149 0.000 1.074 612 T CB 1.366 70.356 68.868 0.205 0.000 0.910 612 T HN -0.105 nan 8.240 nan 0.000 0.501 613 P HA 0.061 nan 4.420 nan 0.000 0.267 613 P C 0.010 177.365 177.300 0.090 0.000 1.200 613 P CA 0.070 63.174 63.100 0.007 0.000 0.772 613 P CB 0.418 32.135 31.700 0.027 0.000 0.855 614 H N 2.516 121.445 119.070 -0.235 0.000 2.517 614 H HA 0.152 4.708 4.556 -0.000 0.000 0.346 614 H C -1.383 173.878 175.328 -0.112 0.000 1.222 614 H CA -2.065 53.835 56.048 -0.247 0.000 1.314 614 H CB 0.767 30.332 29.762 -0.327 0.000 1.609 614 H HN 0.321 nan 8.280 nan 0.000 0.571 615 P HA -0.155 nan 4.420 nan 0.000 0.215 615 P C 1.201 178.513 177.300 0.020 0.000 1.157 615 P CA 1.688 64.791 63.100 0.005 0.000 0.868 615 P CB -0.004 31.695 31.700 -0.003 0.000 0.788 616 A N -0.418 122.416 122.820 0.024 0.000 1.997 616 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 616 A C 2.100 179.640 177.584 -0.074 0.000 1.172 616 A CA 1.589 53.597 52.037 -0.048 0.000 0.645 616 A CB -1.720 17.223 19.000 -0.096 0.000 0.813 616 A HN 0.177 nan 8.150 nan 0.000 0.454 617 L N -0.566 120.636 121.223 -0.035 0.000 2.079 617 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 617 L C 2.486 179.409 176.870 0.088 0.000 1.081 617 L CA 2.813 57.666 54.840 0.023 0.000 0.752 617 L CB -1.142 40.928 42.059 0.019 0.000 0.896 617 L HN 0.396 nan 8.230 nan 0.000 0.433 618 T N -1.470 113.136 114.554 0.088 0.000 2.788 618 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 618 T C 1.815 176.629 174.700 0.190 0.000 1.044 618 T CA 1.513 63.714 62.100 0.168 0.000 1.139 618 T CB -0.126 68.814 68.868 0.120 0.000 0.867 618 T HN 0.531 nan 8.240 nan 0.000 0.454 619 E N 0.771 121.022 120.200 0.086 0.000 2.077 619 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 619 E C 2.197 178.804 176.600 0.012 0.000 0.989 619 E CA 1.472 57.920 56.400 0.080 0.000 0.800 619 E CB -0.655 29.048 29.700 0.006 0.000 0.746 619 E HN 0.521 nan 8.360 nan 0.000 0.452 620 A N 1.151 123.876 122.820 -0.159 0.000 1.865 620 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 620 A C 2.199 179.693 177.584 -0.149 0.000 1.191 620 A CA 2.113 54.013 52.037 -0.228 0.000 0.623 620 A CB -0.766 18.119 19.000 -0.191 0.000 0.826 620 A HN 0.298 nan 8.150 nan 0.000 0.444 621 K N -1.349 119.042 120.400 -0.014 0.000 2.044 621 K HA -0.319 4.001 4.320 -0.000 0.000 0.210 621 K C 2.082 178.598 176.600 -0.139 0.000 1.049 621 K CA 2.201 58.491 56.287 0.006 0.000 0.927 621 K CB -0.374 32.271 32.500 0.242 0.000 0.713 621 K HN 0.675 nan 8.250 nan 0.000 0.443 622 H N 0.437 119.341 119.070 -0.276 0.000 2.293 622 H HA -0.066 4.490 4.556 -0.000 0.000 0.300 622 H C 2.006 177.060 175.328 -0.457 0.000 1.082 622 H CA 1.990 57.672 56.048 -0.610 0.000 1.308 622 H CB -0.051 29.371 29.762 -0.567 0.000 1.375 622 H HN 0.240 nan 8.280 nan 0.000 0.495 623 Q N 0.203 119.724 119.800 -0.464 0.000 2.226 623 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 623 Q C 1.320 176.771 176.000 -0.915 0.000 0.975 623 Q CA 1.224 56.673 55.803 -0.590 0.000 0.866 623 Q CB 0.031 28.596 28.738 -0.289 0.000 0.915 623 Q HN 0.728 nan 8.270 nan 0.000 0.440 624 Q N 0.261 119.498 119.800 -0.938 0.000 2.212 624 Q HA 0.111 4.451 4.340 -0.000 0.000 0.213 624 Q C -0.167 175.315 176.000 -0.863 0.000 0.874 624 Q CA -0.224 54.884 55.803 -1.159 0.000 0.965 624 Q CB 0.370 28.442 28.738 -1.109 0.000 1.074 624 Q HN 0.373 nan 8.270 nan 0.000 0.473 625 Q N -0.463 118.964 119.800 -0.622 0.000 2.479 625 Q HA 0.003 4.343 4.340 -0.000 0.000 0.267 625 Q C -0.159 175.495 176.000 -0.576 0.000 1.071 625 Q CA 0.440 56.018 55.803 -0.374 0.000 0.935 625 Q CB 0.449 29.056 28.738 -0.219 0.000 1.295 625 Q HN 0.296 nan 8.270 nan 0.000 0.476 626 F N -0.182 119.502 119.950 -0.442 0.000 2.653 626 F HA 0.278 4.805 4.527 -0.000 0.000 0.304 626 F C -0.453 174.796 175.800 -0.918 0.000 1.092 626 F CA -0.099 57.406 58.000 -0.825 0.000 1.279 626 F CB 0.608 38.737 39.000 -1.452 0.000 1.044 626 F HN 0.267 nan 8.300 nan 0.000 0.564 627 F N 0.762 120.642 119.950 -0.118 0.000 2.536 627 F HA 0.469 4.996 4.527 -0.000 0.000 0.322 627 F C -0.240 175.242 175.800 -0.531 0.000 1.144 627 F CA -1.266 56.564 58.000 -0.284 0.000 0.924 627 F CB 1.365 40.264 39.000 -0.167 0.000 1.181 627 F HN -0.270 nan 8.300 nan 0.000 0.438 628 Q N 3.589 123.146 119.800 -0.406 0.000 2.282 628 Q HA 0.568 4.908 4.340 -0.000 0.000 0.260 628 Q C -1.316 174.383 176.000 -0.503 0.000 0.964 628 Q CA -0.517 55.088 55.803 -0.329 0.000 0.880 628 Q CB 2.696 31.355 28.738 -0.133 0.000 1.286 628 Q HN 0.490 nan 8.270 nan 0.000 0.445 629 F N 0.454 120.531 119.950 0.212 0.000 2.563 629 F HA 0.605 5.132 4.527 -0.000 0.000 0.316 629 F C 0.373 176.434 175.800 0.436 0.000 1.076 629 F CA -0.860 57.346 58.000 0.344 0.000 0.921 629 F CB 1.845 41.177 39.000 0.553 0.000 1.209 629 F HN 0.157 nan 8.300 nan 0.000 0.462 630 R N 1.540 122.352 120.500 0.521 0.000 2.673 630 R HA 0.702 5.042 4.340 -0.000 0.000 0.281 630 R C -2.016 174.334 176.300 0.084 0.000 0.991 630 R CA -1.193 55.130 56.100 0.372 0.000 0.896 630 R CB 2.959 33.372 30.300 0.189 0.000 1.201 630 R HN 0.556 nan 8.270 nan 0.000 0.457 631 L N 0.789 121.937 121.223 -0.125 0.000 2.346 631 L HA 0.515 4.855 4.340 -0.000 0.000 0.276 631 L C -0.866 175.850 176.870 -0.256 0.000 1.006 631 L CA 0.041 54.581 54.840 -0.499 0.000 0.817 631 L CB 2.136 43.421 42.059 -1.290 0.000 1.272 631 L HN 0.550 nan 8.230 nan 0.000 0.421 632 S N 3.678 119.244 115.700 -0.223 0.000 2.524 632 S HA 0.623 5.093 4.470 -0.000 0.000 0.227 632 S C 0.469 174.980 174.600 -0.149 0.000 1.304 632 S CA 0.221 58.337 58.200 -0.140 0.000 1.185 632 S CB -0.137 63.010 63.200 -0.088 0.000 1.104 632 S HN 1.486 nan 8.310 nan 0.000 0.475 633 G N 4.389 113.097 108.800 -0.153 0.000 3.181 633 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.322 633 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.322 633 G C 0.662 175.458 174.900 -0.174 0.000 1.246 633 G CA 0.756 45.773 45.100 -0.138 0.000 0.989 633 G HN 0.595 nan 8.290 nan 0.000 0.607 634 Q N 1.098 120.802 119.800 -0.160 0.000 2.352 634 Q HA 0.224 4.564 4.340 -0.000 0.000 0.212 634 Q C 0.712 176.586 176.000 -0.210 0.000 0.888 634 Q CA 0.963 56.656 55.803 -0.185 0.000 0.934 634 Q CB 0.682 29.333 28.738 -0.145 0.000 1.093 634 Q HN 0.562 nan 8.270 nan 0.000 0.523 635 T N 1.360 115.802 114.554 -0.186 0.000 2.795 635 T HA 0.524 4.874 4.350 -0.000 0.000 0.282 635 T C 0.251 174.829 174.700 -0.204 0.000 0.980 635 T CA -0.286 61.712 62.100 -0.170 0.000 1.012 635 T CB 1.173 69.975 68.868 -0.111 0.000 0.936 635 T HN -0.024 nan 8.240 nan 0.000 0.457 636 I N 2.771 123.231 120.570 -0.183 0.000 2.336 636 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 636 I C 0.489 176.600 176.117 -0.010 0.000 0.991 636 I CA -0.575 60.633 61.300 -0.153 0.000 1.227 636 I CB 1.309 39.238 38.000 -0.118 0.000 1.366 636 I HN 0.555 nan 8.210 nan 0.000 0.466 637 E N 6.587 126.817 120.200 0.050 0.000 2.133 637 E HA 0.439 4.789 4.350 -0.000 0.000 0.274 637 E C -1.570 175.106 176.600 0.126 0.000 0.930 637 E CA -0.609 55.834 56.400 0.070 0.000 0.770 637 E CB 1.799 31.524 29.700 0.042 0.000 1.104 637 E HN 0.344 nan 8.360 nan 0.000 0.403 638 V N 4.119 124.082 119.914 0.082 0.000 2.398 638 V HA 0.336 4.456 4.120 -0.000 0.000 0.286 638 V C -0.063 176.009 176.094 -0.037 0.000 1.026 638 V CA -0.555 61.731 62.300 -0.024 0.000 0.868 638 V CB 1.631 33.466 31.823 0.021 0.000 0.982 638 V HN 0.698 nan 8.190 nan 0.000 0.443 639 T N 3.110 117.610 114.554 -0.090 0.000 2.829 639 T HA 0.391 4.741 4.350 -0.000 0.000 0.280 639 T C -0.053 174.661 174.700 0.023 0.000 0.999 639 T CA -0.365 61.721 62.100 -0.024 0.000 0.983 639 T CB 1.653 70.495 68.868 -0.043 0.000 0.968 639 T HN 0.652 nan 8.240 nan 0.000 0.446 640 S N 1.268 117.009 115.700 0.069 0.000 2.554 640 S HA 0.240 4.710 4.470 -0.000 0.000 0.278 640 S C 0.660 175.195 174.600 -0.108 0.000 1.242 640 S CA -0.606 57.624 58.200 0.050 0.000 1.051 640 S CB 0.609 63.906 63.200 0.162 0.000 0.986 640 S HN 0.718 nan 8.310 nan 0.000 0.502 641 E N 2.608 122.639 120.200 -0.281 0.000 2.501 641 E HA 0.099 4.449 4.350 -0.000 0.000 0.201 641 E C -0.837 175.611 176.600 -0.252 0.000 1.016 641 E CA -0.093 56.146 56.400 -0.269 0.000 0.920 641 E CB 0.341 29.832 29.700 -0.347 0.000 1.023 641 E HN 0.629 nan 8.360 nan 0.000 0.474 642 Y N 0.317 120.536 120.300 -0.134 0.000 2.326 642 Y HA 0.067 4.617 4.550 -0.000 0.000 0.333 642 Y C 1.386 177.144 175.900 -0.236 0.000 1.240 642 Y CA 0.256 58.271 58.100 -0.141 0.000 1.365 642 Y CB 0.727 39.087 38.460 -0.166 0.000 1.289 642 Y HN -0.071 nan 8.280 nan 0.000 0.548 643 L N 0.501 121.570 121.223 -0.256 0.000 2.575 643 L HA 0.091 4.431 4.340 -0.000 0.000 0.228 643 L C 0.431 176.847 176.870 -0.757 0.000 1.075 643 L CA 0.379 54.813 54.840 -0.677 0.000 0.867 643 L CB 0.106 41.436 42.059 -1.216 0.000 1.097 643 L HN 0.545 nan 8.230 nan 0.000 0.485 644 F N -0.647 119.330 119.950 0.046 0.000 2.347 644 F HA 0.223 4.750 4.527 -0.000 0.000 0.266 644 F C 1.401 177.195 175.800 -0.010 0.000 0.884 644 F CA -0.841 57.155 58.000 -0.007 0.000 1.123 644 F CB -0.465 38.506 39.000 -0.048 0.000 1.098 644 F HN -0.193 nan 8.300 nan 0.000 0.803 645 R N 0.919 121.484 120.500 0.108 0.000 2.827 645 R HA 0.207 4.547 4.340 -0.000 0.000 0.269 645 R C -0.890 175.431 176.300 0.035 0.000 1.048 645 R CA -0.230 55.861 56.100 -0.015 0.000 1.173 645 R CB 0.113 30.266 30.300 -0.245 0.000 1.070 645 R HN 0.236 nan 8.270 nan 0.000 0.498 646 H N -0.439 118.610 119.070 -0.035 0.000 2.567 646 H HA 0.176 4.732 4.556 -0.000 0.000 0.345 646 H C -0.326 175.028 175.328 0.044 0.000 1.169 646 H CA -0.243 55.825 56.048 0.033 0.000 1.227 646 H CB 1.627 31.411 29.762 0.036 0.000 1.607 646 H HN 0.733 nan 8.280 nan 0.000 0.534 647 S N 1.593 117.271 115.700 -0.037 0.000 4.085 647 S HA -0.022 4.448 4.470 -0.000 0.000 0.189 647 S C 0.050 174.731 174.600 0.134 0.000 1.392 647 S CA -0.125 58.156 58.200 0.135 0.000 0.972 647 S CB -0.990 62.306 63.200 0.161 0.000 1.482 647 S HN 0.693 nan 8.310 nan 0.000 0.446 648 D N 0.374 120.864 120.400 0.150 0.000 2.336 648 D HA 0.018 4.658 4.640 -0.000 0.000 0.229 648 D C 0.533 176.885 176.300 0.088 0.000 1.061 648 D CA -0.060 54.020 54.000 0.135 0.000 0.875 648 D CB -0.241 40.631 40.800 0.119 0.000 0.904 648 D HN 0.516 nan 8.370 nan 0.000 0.525 649 N N -0.195 118.560 118.700 0.092 0.000 2.598 649 N HA 0.153 4.893 4.740 -0.000 0.000 0.295 649 N C -1.515 174.059 175.510 0.108 0.000 1.729 649 N CA -0.298 52.799 53.050 0.079 0.000 0.877 649 N CB 0.365 38.887 38.487 0.059 0.000 1.405 649 N HN 0.008 nan 8.380 nan 0.000 0.491 650 E N -0.123 120.137 120.200 0.101 0.000 2.390 650 E HA 0.556 4.906 4.350 -0.000 0.000 0.277 650 E C -1.329 175.305 176.600 0.056 0.000 0.939 650 E CA -0.815 55.642 56.400 0.094 0.000 0.769 650 E CB 2.316 32.075 29.700 0.098 0.000 1.251 650 E HN 0.263 nan 8.360 nan 0.000 0.450 651 L N -0.222 121.041 121.223 0.066 0.000 2.482 651 L HA 0.652 4.992 4.340 -0.000 0.000 0.263 651 L C -1.578 175.354 176.870 0.104 0.000 0.957 651 L CA -1.324 53.558 54.840 0.071 0.000 0.836 651 L CB 1.227 43.332 42.059 0.076 0.000 1.324 651 L HN 0.486 nan 8.230 nan 0.000 0.406 652 L N 3.405 124.697 121.223 0.114 0.000 2.380 652 L HA 0.438 4.778 4.340 -0.000 0.000 0.273 652 L C -0.596 176.409 176.870 0.226 0.000 1.138 652 L CA 0.634 55.581 54.840 0.178 0.000 0.832 652 L CB 0.334 42.510 42.059 0.194 0.000 1.124 652 L HN 0.699 nan 8.230 nan 0.000 0.454 653 H N 6.535 125.686 119.070 0.135 0.000 2.708 653 H HA 0.285 4.841 4.556 -0.000 0.000 0.320 653 H C -1.329 174.084 175.328 0.141 0.000 0.991 653 H CA -0.643 55.454 56.048 0.081 0.000 1.243 653 H CB 0.619 30.396 29.762 0.025 0.000 1.446 653 H HN 0.750 nan 8.280 nan 0.000 0.502 654 W N 5.375 126.771 121.300 0.160 0.000 2.671 654 W HA 0.679 5.339 4.660 -0.000 0.000 0.360 654 W C -1.508 175.106 176.519 0.159 0.000 1.128 654 W CA -1.331 56.109 57.345 0.159 0.000 1.184 654 W CB 1.690 31.204 29.460 0.090 0.000 1.415 654 W HN 0.465 nan 8.180 nan 0.000 0.604 655 M N 2.657 122.517 119.600 0.432 0.000 2.366 655 M HA 0.297 4.777 4.480 -0.000 0.000 0.287 655 M C -2.481 174.035 176.300 0.361 0.000 1.083 655 M CA -0.299 55.114 55.300 0.188 0.000 0.934 655 M CB 1.844 34.469 32.600 0.042 0.000 1.852 655 M HN 0.278 nan 8.290 nan 0.000 0.502 656 V N 3.541 123.668 119.914 0.354 0.000 2.472 656 V HA 0.963 5.083 4.120 -0.000 0.000 0.290 656 V C -0.089 176.123 176.094 0.197 0.000 1.037 656 V CA -0.337 62.147 62.300 0.307 0.000 0.908 656 V CB 1.436 33.447 31.823 0.314 0.000 0.985 656 V HN 0.901 nan 8.190 nan 0.000 0.454 657 A N 4.409 127.354 122.820 0.209 0.000 2.488 657 A HA 0.763 5.083 4.320 -0.000 0.000 0.298 657 A C -1.393 176.315 177.584 0.208 0.000 1.044 657 A CA -0.574 51.552 52.037 0.149 0.000 0.693 657 A CB 1.518 20.560 19.000 0.070 0.000 1.272 657 A HN 0.792 nan 8.150 nan 0.000 0.402 658 L N 2.194 123.505 121.223 0.147 0.000 2.261 658 L HA 0.424 4.764 4.340 -0.000 0.000 0.289 658 L C -0.290 176.676 176.870 0.161 0.000 1.059 658 L CA 0.360 55.303 54.840 0.172 0.000 0.816 658 L CB -0.185 41.940 42.059 0.110 0.000 1.191 658 L HN 0.749 nan 8.230 nan 0.000 0.431 659 D N 5.118 125.685 120.400 0.278 0.000 2.720 659 D HA -0.227 4.413 4.640 -0.000 0.000 0.229 659 D C 1.191 177.479 176.300 -0.021 0.000 1.198 659 D CA 1.331 55.467 54.000 0.227 0.000 0.639 659 D CB -0.902 40.023 40.800 0.209 0.000 1.003 659 D HN 1.129 nan 8.370 nan 0.000 0.411 660 G N -0.285 108.448 108.800 -0.112 0.000 2.358 660 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.224 660 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.224 660 G C 0.227 175.029 174.900 -0.163 0.000 1.073 660 G CA 0.253 45.196 45.100 -0.262 0.000 0.635 660 G HN 0.491 nan 8.290 nan 0.000 0.509 661 K N 3.280 123.636 120.400 -0.074 0.000 2.363 661 K HA 0.408 4.728 4.320 -0.000 0.000 0.289 661 K C -2.288 174.300 176.600 -0.019 0.000 1.063 661 K CA -1.094 55.164 56.287 -0.047 0.000 0.967 661 K CB 1.153 33.645 32.500 -0.014 0.000 0.987 661 K HN 0.316 nan 8.250 nan 0.000 0.473 662 P HA 0.004 nan 4.420 nan 0.000 0.272 662 P C -0.131 177.173 177.300 0.007 0.000 1.230 662 P CA -0.074 63.017 63.100 -0.015 0.000 0.788 662 P CB 1.042 32.713 31.700 -0.048 0.000 0.949 663 L N 0.090 121.332 121.223 0.033 0.000 2.678 663 L HA 0.428 4.767 4.340 -0.000 0.000 0.187 663 L C 1.099 177.993 176.870 0.041 0.000 1.073 663 L CA 0.201 55.067 54.840 0.043 0.000 0.883 663 L CB -0.275 41.827 42.059 0.073 0.000 1.501 663 L HN 0.365 nan 8.230 nan 0.000 0.488 664 A N -0.072 122.791 122.820 0.072 0.000 2.485 664 A HA 0.861 5.181 4.320 -0.000 0.000 0.292 664 A C -0.671 176.802 177.584 -0.184 0.000 1.147 664 A CA 0.170 52.236 52.037 0.050 0.000 0.750 664 A CB 1.858 21.020 19.000 0.271 0.000 1.331 664 A HN 0.237 nan 8.150 nan 0.000 0.419 665 S N -1.612 113.704 115.700 -0.640 0.000 2.643 665 S HA 0.862 5.332 4.470 -0.000 0.000 0.266 665 S C -0.281 173.375 174.600 -1.573 0.000 1.130 665 S CA 0.164 57.543 58.200 -1.369 0.000 0.817 665 S CB 0.654 63.486 63.200 -0.613 0.000 1.107 665 S HN 2.665 nan 8.310 nan 0.000 0.471 666 G N -0.118 107.636 108.800 -1.744 0.000 2.348 666 G HA2 0.622 4.582 3.960 -0.000 0.000 0.296 666 G HA3 0.622 4.582 3.960 -0.000 0.000 0.296 666 G C -2.210 172.251 174.900 -0.732 0.000 1.258 666 G CA -0.065 44.506 45.100 -0.881 0.000 0.868 666 G HN 1.613 nan 8.290 nan 0.000 0.488 667 E N -1.532 118.560 120.200 -0.182 0.000 2.597 667 E HA 0.493 4.843 4.350 -0.000 0.000 0.310 667 E C -1.758 174.891 176.600 0.082 0.000 0.970 667 E CA -0.933 55.425 56.400 -0.071 0.000 0.819 667 E CB 1.642 31.189 29.700 -0.255 0.000 1.267 667 E HN 0.560 nan 8.360 nan 0.000 0.411 668 V N 3.057 123.060 119.914 0.149 0.000 2.513 668 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 668 V C -1.993 174.151 176.094 0.084 0.000 1.035 668 V CA -1.931 60.437 62.300 0.113 0.000 0.889 668 V CB 1.515 33.410 31.823 0.119 0.000 0.988 668 V HN 0.690 nan 8.190 nan 0.000 0.440 669 P HA 0.222 nan 4.420 nan 0.000 0.271 669 P C -0.925 176.403 177.300 0.047 0.000 1.218 669 P CA -0.186 62.947 63.100 0.055 0.000 0.780 669 P CB 1.177 32.907 31.700 0.051 0.000 0.901 670 L N 2.685 123.926 121.223 0.030 0.000 2.264 670 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 670 L C 0.454 177.333 176.870 0.015 0.000 1.044 670 L CA 0.075 54.912 54.840 -0.005 0.000 0.807 670 L CB 0.710 42.709 42.059 -0.099 0.000 1.192 670 L HN 0.350 nan 8.230 nan 0.000 0.425 671 D N 3.258 123.669 120.400 0.019 0.000 2.502 671 D HA 0.325 4.965 4.640 -0.000 0.000 0.301 671 D C -1.141 175.132 176.300 -0.046 0.000 1.202 671 D CA -0.152 53.878 54.000 0.049 0.000 0.878 671 D CB 0.863 41.735 40.800 0.121 0.000 1.062 671 D HN 0.038 nan 8.370 nan 0.000 0.499 672 V N 1.309 121.101 119.914 -0.203 0.000 2.448 672 V HA 0.824 4.944 4.120 -0.000 0.000 0.295 672 V C 0.695 176.509 176.094 -0.466 0.000 1.025 672 V CA -1.241 60.951 62.300 -0.181 0.000 0.859 672 V CB 1.328 33.168 31.823 0.028 0.000 0.988 672 V HN 0.495 nan 8.190 nan 0.000 0.431 673 A N 6.900 129.574 122.820 -0.243 0.000 2.322 673 A HA 0.733 5.053 4.320 -0.000 0.000 0.269 673 A C -2.204 175.393 177.584 0.021 0.000 1.094 673 A CA -1.646 50.356 52.037 -0.057 0.000 0.807 673 A CB 0.082 19.191 19.000 0.182 0.000 1.047 673 A HN 0.693 nan 8.150 nan 0.000 0.487 674 P HA -0.037 nan 4.420 nan 0.000 0.264 674 P C -0.379 176.932 177.300 0.018 0.000 1.183 674 P CA 0.741 63.874 63.100 0.055 0.000 0.763 674 P CB 0.741 32.463 31.700 0.037 0.000 0.807 675 Q N -1.129 118.667 119.800 -0.006 0.000 2.301 675 Q HA -0.164 4.176 4.340 -0.000 0.000 0.163 675 Q C 0.903 176.902 176.000 -0.001 0.000 0.576 675 Q CA 2.000 57.789 55.803 -0.023 0.000 1.368 675 Q CB -2.593 26.126 28.738 -0.031 0.000 1.325 675 Q HN 0.763 nan 8.270 nan 0.000 0.946 676 G N 0.699 109.510 108.800 0.019 0.000 2.621 676 G HA2 0.451 4.411 3.960 -0.000 0.000 0.271 676 G HA3 0.451 4.411 3.960 -0.000 0.000 0.271 676 G C -0.141 174.774 174.900 0.025 0.000 1.236 676 G CA -0.339 44.776 45.100 0.025 0.000 0.958 676 G HN 0.014 nan 8.290 nan 0.000 0.512 677 K N -0.758 119.657 120.400 0.024 0.000 2.443 677 K HA 0.481 4.801 4.320 -0.000 0.000 0.251 677 K C -0.942 175.672 176.600 0.024 0.000 0.972 677 K CA -0.651 55.649 56.287 0.022 0.000 0.833 677 K CB 2.557 35.066 32.500 0.015 0.000 1.317 677 K HN 0.527 nan 8.250 nan 0.000 0.441 678 Q N 2.410 122.225 119.800 0.025 0.000 2.289 678 Q HA 0.383 4.723 4.340 -0.000 0.000 0.270 678 Q C -1.707 174.309 176.000 0.027 0.000 1.038 678 Q CA -0.621 55.197 55.803 0.026 0.000 0.812 678 Q CB 1.572 30.326 28.738 0.025 0.000 1.300 678 Q HN 0.536 nan 8.270 nan 0.000 0.427 679 L N 4.806 126.040 121.223 0.017 0.000 2.295 679 L HA 0.572 4.912 4.340 -0.000 0.000 0.285 679 L C -0.461 176.407 176.870 -0.003 0.000 1.035 679 L CA -0.670 54.172 54.840 0.004 0.000 0.806 679 L CB 1.374 43.428 42.059 -0.008 0.000 1.214 679 L HN 0.583 nan 8.230 nan 0.000 0.426 680 I N 2.640 123.199 120.570 -0.019 0.000 2.410 680 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 680 I C -0.367 175.690 176.117 -0.100 0.000 1.009 680 I CA -0.541 60.736 61.300 -0.039 0.000 1.111 680 I CB 2.133 40.123 38.000 -0.017 0.000 1.262 680 I HN 0.537 nan 8.210 nan 0.000 0.443 681 E N 7.327 127.468 120.200 -0.098 0.000 2.044 681 E HA 0.360 4.710 4.350 -0.000 0.000 0.282 681 E C -0.953 175.536 176.600 -0.185 0.000 1.031 681 E CA -0.329 55.994 56.400 -0.128 0.000 0.824 681 E CB 0.637 30.287 29.700 -0.083 0.000 1.076 681 E HN 0.452 nan 8.360 nan 0.000 0.395 682 L N 6.733 127.781 121.223 -0.292 0.000 2.426 682 L HA 0.299 4.639 4.340 -0.000 0.000 0.271 682 L C -1.582 175.123 176.870 -0.275 0.000 1.169 682 L CA -1.764 52.809 54.840 -0.447 0.000 0.836 682 L CB 0.318 41.976 42.059 -0.670 0.000 1.112 682 L HN 0.542 nan 8.230 nan 0.000 0.465 683 P HA -0.055 nan 4.420 nan 0.000 0.272 683 P C -0.532 176.716 177.300 -0.085 0.000 1.230 683 P CA -0.463 62.592 63.100 -0.077 0.000 0.788 683 P CB 0.445 32.163 31.700 0.029 0.000 0.949 684 E N 2.037 122.210 120.200 -0.045 0.000 2.558 684 E HA -0.049 4.301 4.350 -0.000 0.000 0.235 684 E C -0.053 176.537 176.600 -0.017 0.000 1.217 684 E CA -0.100 56.277 56.400 -0.038 0.000 0.955 684 E CB -0.572 29.118 29.700 -0.017 0.000 1.027 684 E HN 0.285 nan 8.360 nan 0.000 0.491 685 L N 5.992 127.189 121.223 -0.043 0.000 2.536 685 L HA 0.003 4.343 4.340 -0.000 0.000 0.294 685 L C -1.421 175.472 176.870 0.039 0.000 1.257 685 L CA -1.184 53.659 54.840 0.004 0.000 0.850 685 L CB -0.368 41.673 42.059 -0.029 0.000 1.105 685 L HN 0.540 nan 8.230 nan 0.000 0.517 686 P HA -0.049 nan 4.420 nan 0.000 0.264 686 P C -0.958 176.369 177.300 0.044 0.000 1.193 686 P CA -0.294 62.845 63.100 0.064 0.000 0.763 686 P CB 0.782 32.532 31.700 0.084 0.000 0.810 687 Q N 5.366 125.184 119.800 0.031 0.000 2.344 687 Q HA 0.225 4.565 4.340 -0.000 0.000 0.253 687 Q C -1.792 174.224 176.000 0.027 0.000 1.050 687 Q CA -1.862 53.954 55.803 0.022 0.000 0.912 687 Q CB -0.180 28.566 28.738 0.014 0.000 1.258 687 Q HN 0.381 nan 8.270 nan 0.000 0.443 688 P HA 0.002 nan 4.420 nan 0.000 0.271 688 P C -0.608 176.709 177.300 0.027 0.000 1.233 688 P CA 0.160 63.281 63.100 0.035 0.000 0.789 688 P CB 1.109 32.832 31.700 0.039 0.000 0.951 689 E N -0.960 119.258 120.200 0.030 0.000 3.441 689 E HA 0.056 4.406 4.350 -0.000 0.000 0.195 689 E C 0.790 177.407 176.600 0.028 0.000 1.172 689 E CA -0.341 56.075 56.400 0.025 0.000 1.457 689 E CB -0.632 29.082 29.700 0.023 0.000 1.388 689 E HN 0.347 nan 8.360 nan 0.000 0.551 690 S N 0.832 116.552 115.700 0.032 0.000 2.563 690 S HA 0.281 4.751 4.470 -0.000 0.000 0.269 690 S C 0.352 174.977 174.600 0.042 0.000 1.364 690 S CA 0.176 58.397 58.200 0.036 0.000 1.010 690 S CB 0.393 63.616 63.200 0.039 0.000 0.877 690 S HN 0.467 nan 8.310 nan 0.000 0.549 691 A N 2.020 124.867 122.820 0.045 0.000 2.407 691 A HA 0.677 4.997 4.320 -0.000 0.000 0.248 691 A C 0.877 178.501 177.584 0.066 0.000 1.082 691 A CA 0.351 52.417 52.037 0.049 0.000 0.785 691 A CB -0.482 18.547 19.000 0.049 0.000 1.020 691 A HN 1.813 nan 8.150 nan 0.000 0.489 692 G N -0.306 108.537 108.800 0.071 0.000 2.356 692 G HA2 0.447 4.407 3.960 -0.000 0.000 0.288 692 G HA3 0.447 4.407 3.960 -0.000 0.000 0.288 692 G C -1.477 173.481 174.900 0.097 0.000 1.302 692 G CA -0.369 44.792 45.100 0.103 0.000 0.887 692 G HN 1.035 nan 8.290 nan 0.000 0.521 693 Q N 0.080 119.977 119.800 0.162 0.000 2.341 693 Q HA 0.697 5.037 4.340 -0.000 0.000 0.268 693 Q C -0.540 175.572 176.000 0.186 0.000 1.013 693 Q CA -0.549 55.322 55.803 0.113 0.000 0.798 693 Q CB 1.292 30.124 28.738 0.156 0.000 1.253 693 Q HN 0.567 nan 8.270 nan 0.000 0.457 694 L N 4.310 125.546 121.223 0.022 0.000 2.360 694 L HA 0.349 4.689 4.340 -0.000 0.000 0.276 694 L C -0.828 176.033 176.870 -0.015 0.000 1.121 694 L CA -0.176 54.715 54.840 0.085 0.000 0.845 694 L CB 0.528 42.609 42.059 0.037 0.000 1.143 694 L HN 0.682 nan 8.230 nan 0.000 0.452 695 W N 5.305 126.685 121.300 0.133 0.000 2.424 695 W HA 0.385 5.045 4.660 0.000 0.000 0.318 695 W C -0.451 176.188 176.519 0.201 0.000 1.016 695 W CA -0.582 56.865 57.345 0.171 0.000 1.268 695 W CB 1.341 30.922 29.460 0.202 0.000 1.297 695 W HN 0.172 nan 8.180 nan 0.000 0.428 696 L N 4.259 125.729 121.223 0.412 0.000 2.331 696 L HA 0.677 5.017 4.340 -0.000 0.000 0.278 696 L C -0.073 177.105 176.870 0.513 0.000 1.106 696 L CA 0.800 55.891 54.840 0.419 0.000 0.824 696 L CB 0.761 43.020 42.059 0.334 0.000 1.142 696 L HN 0.316 nan 8.230 nan 0.000 0.443 697 T N 5.319 120.136 114.554 0.440 0.000 2.937 697 T HA 0.567 4.917 4.350 -0.000 0.000 0.297 697 T C -0.805 174.095 174.700 0.335 0.000 0.991 697 T CA -0.435 61.877 62.100 0.354 0.000 0.990 697 T CB 1.348 70.361 68.868 0.241 0.000 0.991 697 T HN 0.615 nan 8.240 nan 0.000 0.440 698 V N 1.649 121.730 119.914 0.277 0.000 2.667 698 V HA 0.824 4.944 4.120 -0.000 0.000 0.308 698 V C -0.578 175.582 176.094 0.110 0.000 1.048 698 V CA -1.066 61.357 62.300 0.205 0.000 0.928 698 V CB 1.865 33.756 31.823 0.112 0.000 1.004 698 V HN 0.805 nan 8.190 nan 0.000 0.444 699 R N 2.447 123.034 120.500 0.144 0.000 2.574 699 R HA 0.702 5.042 4.340 -0.000 0.000 0.288 699 R C -1.584 174.822 176.300 0.177 0.000 1.004 699 R CA -0.735 55.461 56.100 0.160 0.000 0.895 699 R CB 2.619 32.959 30.300 0.067 0.000 1.191 699 R HN 0.703 nan 8.270 nan 0.000 0.444 700 V N 4.094 124.144 119.914 0.226 0.000 2.465 700 V HA 0.322 4.442 4.120 -0.000 0.000 0.279 700 V C -0.100 176.106 176.094 0.187 0.000 1.045 700 V CA -0.415 62.015 62.300 0.215 0.000 0.938 700 V CB 1.644 33.636 31.823 0.282 0.000 0.986 700 V HN 0.425 nan 8.190 nan 0.000 0.467 701 V N 4.955 124.960 119.914 0.152 0.000 2.604 701 V HA 0.407 4.527 4.120 -0.000 0.000 0.305 701 V C -0.334 175.839 176.094 0.132 0.000 1.043 701 V CA -0.808 61.566 62.300 0.123 0.000 0.888 701 V CB 1.963 33.847 31.823 0.103 0.000 0.995 701 V HN 0.875 nan 8.190 nan 0.000 0.429 702 Q N 5.684 125.567 119.800 0.139 0.000 2.421 702 Q HA 0.257 4.597 4.340 -0.000 0.000 0.242 702 Q C -1.547 174.499 176.000 0.077 0.000 1.024 702 Q CA -1.762 54.116 55.803 0.126 0.000 0.891 702 Q CB 1.828 30.657 28.738 0.151 0.000 1.222 702 Q HN 0.523 nan 8.270 nan 0.000 0.483 703 P HA -0.198 nan 4.420 nan 0.000 0.215 703 P C -0.315 176.995 177.300 0.018 0.000 1.157 703 P CA 1.172 64.297 63.100 0.042 0.000 0.868 703 P CB 0.312 32.038 31.700 0.043 0.000 0.788 704 N N 0.439 119.142 118.700 0.005 0.000 2.529 704 N HA 0.306 5.046 4.740 -0.000 0.000 0.278 704 N C 0.138 175.607 175.510 -0.068 0.000 1.146 704 N CA -0.163 52.873 53.050 -0.024 0.000 0.980 704 N CB 0.777 39.250 38.487 -0.023 0.000 1.124 704 N HN 0.081 nan 8.380 nan 0.000 0.458 705 A N 1.004 123.774 122.820 -0.083 0.000 2.371 705 A HA 0.441 4.761 4.320 -0.000 0.000 0.257 705 A C 0.926 178.388 177.584 -0.203 0.000 1.089 705 A CA -0.249 51.702 52.037 -0.143 0.000 0.794 705 A CB 0.101 19.042 19.000 -0.098 0.000 1.029 705 A HN 0.747 nan 8.150 nan 0.000 0.488 706 T N -1.872 112.462 114.554 -0.366 0.000 2.797 706 T HA 0.626 4.976 4.350 -0.000 0.000 0.267 706 T C 1.140 175.649 174.700 -0.317 0.000 0.986 706 T CA 0.128 61.976 62.100 -0.419 0.000 0.999 706 T CB 0.891 69.241 68.868 -0.863 0.000 1.508 706 T HN 1.158 nan 8.240 nan 0.000 0.595 707 A N -0.438 122.252 122.820 -0.218 0.000 2.067 707 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 707 A C 1.804 179.501 177.584 0.189 0.000 1.156 707 A CA 0.729 52.768 52.037 0.004 0.000 0.683 707 A CB -0.774 18.235 19.000 0.017 0.000 0.808 707 A HN 0.909 nan 8.150 nan 0.000 0.455 708 W N -0.538 120.839 121.300 0.128 0.000 2.871 708 W HA 0.358 5.018 4.660 -0.000 0.000 0.340 708 W C -0.009 176.499 176.519 -0.018 0.000 1.058 708 W CA 0.559 57.966 57.345 0.104 0.000 1.633 708 W CB -0.905 28.619 29.460 0.105 0.000 1.067 708 W HN 0.365 nan 8.180 nan 0.000 0.554 709 S N 1.724 117.005 115.700 -0.699 0.000 2.542 709 S HA 0.372 4.842 4.470 -0.000 0.000 0.293 709 S C 0.071 174.467 174.600 -0.340 0.000 1.089 709 S CA -0.681 57.141 58.200 -0.630 0.000 0.961 709 S CB 2.628 65.102 63.200 -1.210 0.000 1.062 709 S HN 0.159 nan 8.310 nan 0.000 0.483 710 E N 1.967 122.070 120.200 -0.162 0.000 2.421 710 E HA 0.468 4.818 4.350 -0.000 0.000 0.253 710 E C 0.231 176.804 176.600 -0.045 0.000 1.277 710 E CA -0.727 55.637 56.400 -0.059 0.000 0.968 710 E CB 0.093 29.802 29.700 0.015 0.000 1.040 710 E HN 0.843 nan 8.360 nan 0.000 0.512 711 A N -0.743 122.067 122.820 -0.016 0.000 2.354 711 A HA 0.491 4.811 4.320 -0.000 0.000 0.269 711 A C 1.101 178.706 177.584 0.035 0.000 1.109 711 A CA 0.210 52.245 52.037 -0.003 0.000 0.800 711 A CB -0.250 18.747 19.000 -0.004 0.000 1.045 711 A HN 1.134 nan 8.150 nan 0.000 0.489 712 G N 0.500 109.328 108.800 0.047 0.000 2.153 712 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 712 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 712 G C 0.203 175.152 174.900 0.082 0.000 0.994 712 G CA 0.802 45.936 45.100 0.057 0.000 0.698 712 G HN 1.721 nan 8.290 nan 0.000 0.521 713 H N 0.223 119.306 119.070 0.021 0.000 2.897 713 H HA 0.438 4.994 4.556 -0.000 0.000 0.347 713 H C 0.802 176.204 175.328 0.123 0.000 1.068 713 H CA 0.132 56.217 56.048 0.061 0.000 1.426 713 H CB 0.261 30.043 29.762 0.034 0.000 1.410 713 H HN 0.284 nan 8.280 nan 0.000 0.597 714 I N 4.626 124.855 120.570 -0.568 0.000 2.304 714 I HA 0.051 4.221 4.170 -0.000 0.000 0.291 714 I C 0.891 176.813 176.117 -0.323 0.000 1.018 714 I CA -0.090 61.043 61.300 -0.278 0.000 1.260 714 I CB 1.523 39.466 38.000 -0.096 0.000 1.390 714 I HN 0.758 nan 8.210 nan 0.000 0.475 715 S N 4.243 119.994 115.700 0.085 0.000 2.503 715 S HA 0.520 4.990 4.470 -0.000 0.000 0.215 715 S C 0.521 175.372 174.600 0.418 0.000 1.003 715 S CA 0.018 58.425 58.200 0.344 0.000 0.910 715 S CB 0.503 64.015 63.200 0.519 0.000 0.790 715 S HN 0.743 nan 8.310 nan 0.000 0.514 716 A N 0.324 123.415 122.820 0.450 0.000 2.586 716 A HA 0.659 4.979 4.320 -0.000 0.000 0.291 716 A C -1.894 176.002 177.584 0.520 0.000 1.062 716 A CA -0.750 51.541 52.037 0.423 0.000 0.666 716 A CB 0.234 19.547 19.000 0.521 0.000 1.281 716 A HN 1.013 nan 8.150 nan 0.000 0.421 717 W N -0.616 120.810 121.300 0.209 0.000 2.989 717 W HA 0.780 5.440 4.660 -0.000 0.000 0.344 717 W C -1.384 175.129 176.519 -0.010 0.000 1.233 717 W CA -0.477 56.881 57.345 0.022 0.000 1.187 717 W CB 1.040 30.500 29.460 -0.001 0.000 1.443 717 W HN 1.097 nan 8.180 nan 0.000 0.573 718 Q N 1.214 121.048 119.800 0.056 0.000 2.479 718 Q HA 0.390 4.730 4.340 -0.000 0.000 0.276 718 Q C -1.582 174.275 176.000 -0.239 0.000 0.989 718 Q CA -0.419 55.256 55.803 -0.213 0.000 0.864 718 Q CB 2.392 30.790 28.738 -0.567 0.000 1.444 718 Q HN 0.605 nan 8.270 nan 0.000 0.388 719 Q N 1.528 121.168 119.800 -0.267 0.000 2.351 719 Q HA 0.646 4.986 4.340 -0.000 0.000 0.273 719 Q C -1.200 174.689 176.000 -0.185 0.000 1.077 719 Q CA -0.708 55.104 55.803 0.016 0.000 0.843 719 Q CB 2.071 31.002 28.738 0.321 0.000 1.367 719 Q HN 0.583 nan 8.270 nan 0.000 0.449 720 W N 1.170 122.625 121.300 0.258 0.000 3.129 720 W HA 0.368 5.028 4.660 0.000 0.000 0.333 720 W C -0.515 175.902 176.519 -0.169 0.000 1.141 720 W CA -0.616 56.768 57.345 0.065 0.000 1.224 720 W CB 1.673 31.155 29.460 0.036 0.000 1.393 720 W HN 0.439 nan 8.180 nan 0.000 0.499 721 R N 3.074 123.434 120.500 -0.234 0.000 2.272 721 R HA 0.251 4.591 4.340 -0.000 0.000 0.334 721 R C 0.896 176.998 176.300 -0.329 0.000 1.117 721 R CA -0.050 55.604 56.100 -0.743 0.000 0.966 721 R CB 0.335 30.205 30.300 -0.718 0.000 1.049 721 R HN 0.433 nan 8.270 nan 0.000 0.477 722 L N 1.784 122.847 121.223 -0.268 0.000 2.522 722 L HA 0.169 4.509 4.340 -0.000 0.000 0.157 722 L C 1.083 177.864 176.870 -0.148 0.000 1.397 722 L CA 0.179 54.937 54.840 -0.135 0.000 2.938 722 L CB -0.313 41.707 42.059 -0.065 0.000 2.913 722 L HN 0.555 nan 8.230 nan 0.000 0.949 723 A N -0.360 122.400 122.820 -0.101 0.000 2.272 723 A HA 0.402 4.722 4.320 -0.000 0.000 0.275 723 A C -0.439 177.092 177.584 -0.087 0.000 1.096 723 A CA -0.087 51.902 52.037 -0.080 0.000 0.822 723 A CB 0.884 19.857 19.000 -0.045 0.000 1.088 723 A HN 0.564 nan 8.150 nan 0.000 0.495 724 E N -0.117 120.046 120.200 -0.061 0.000 2.340 724 E HA 0.385 4.735 4.350 -0.000 0.000 0.273 724 E C -1.756 174.837 176.600 -0.012 0.000 0.891 724 E CA -0.741 55.634 56.400 -0.042 0.000 0.757 724 E CB 1.251 30.917 29.700 -0.057 0.000 1.231 724 E HN 0.614 nan 8.360 nan 0.000 0.439 725 N N 4.207 122.912 118.700 0.008 0.000 2.573 725 N HA 0.276 5.016 4.740 -0.000 0.000 0.262 725 N C -0.818 174.708 175.510 0.025 0.000 1.029 725 N CA -0.367 52.693 53.050 0.016 0.000 0.882 725 N CB 1.214 39.715 38.487 0.022 0.000 1.204 725 N HN 0.475 nan 8.380 nan 0.000 0.519 726 L N 1.008 122.244 121.223 0.021 0.000 2.462 726 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 726 L C 1.312 178.201 176.870 0.032 0.000 1.166 726 L CA 0.198 55.056 54.840 0.029 0.000 0.880 726 L CB 0.383 42.456 42.059 0.024 0.000 1.142 726 L HN 0.361 nan 8.230 nan 0.000 0.473 727 S N 2.259 117.983 115.700 0.040 0.000 2.531 727 S HA 0.208 4.678 4.470 -0.000 0.000 0.279 727 S C 0.831 175.452 174.600 0.034 0.000 1.305 727 S CA -0.699 57.524 58.200 0.039 0.000 1.058 727 S CB 1.002 64.230 63.200 0.047 0.000 0.899 727 S HN 0.461 nan 8.310 nan 0.000 0.493 728 V N 2.289 122.221 119.914 0.029 0.000 3.307 728 V HA 0.249 4.369 4.120 -0.000 0.000 0.244 728 V C 1.103 177.211 176.094 0.024 0.000 1.196 728 V CA 0.576 62.892 62.300 0.025 0.000 1.132 728 V CB -1.076 30.759 31.823 0.020 0.000 0.875 728 V HN 0.909 nan 8.190 nan 0.000 0.468 729 T N 2.075 116.644 114.554 0.025 0.000 3.162 729 T HA 0.438 4.788 4.350 -0.000 0.000 0.264 729 T C 0.029 174.746 174.700 0.027 0.000 0.959 729 T CA -0.104 62.010 62.100 0.024 0.000 1.118 729 T CB -1.064 67.819 68.868 0.024 0.000 0.979 729 T HN 0.366 nan 8.240 nan 0.000 0.679 730 L N 4.803 126.041 121.223 0.025 0.000 2.461 730 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 730 L C -0.900 175.985 176.870 0.024 0.000 1.197 730 L CA -1.889 52.967 54.840 0.026 0.000 0.836 730 L CB -0.180 41.893 42.059 0.023 0.000 1.105 730 L HN 0.506 nan 8.230 nan 0.000 0.477 731 P HA -0.083 nan 4.420 nan 0.000 0.267 731 P C -0.792 176.519 177.300 0.018 0.000 1.175 731 P CA -0.257 62.859 63.100 0.027 0.000 0.763 731 P CB 0.433 32.152 31.700 0.032 0.000 0.795 732 A N 2.796 125.629 122.820 0.021 0.000 2.437 732 A HA 0.473 4.793 4.320 -0.000 0.000 0.303 732 A C 0.934 178.521 177.584 0.004 0.000 1.324 732 A CA -0.140 51.907 52.037 0.016 0.000 0.983 732 A CB -0.760 18.257 19.000 0.030 0.000 1.142 732 A HN 0.731 nan 8.150 nan 0.000 0.541 733 A N 3.700 126.506 122.820 -0.024 0.000 2.572 733 A HA 0.383 4.703 4.320 -0.000 0.000 0.256 733 A C 1.125 178.656 177.584 -0.088 0.000 1.041 733 A CA 0.702 52.705 52.037 -0.058 0.000 0.790 733 A CB -0.577 18.368 19.000 -0.091 0.000 0.947 733 A HN 1.758 nan 8.150 nan 0.000 0.518 734 S N 2.264 117.946 115.700 -0.030 0.000 2.603 734 S HA 0.297 4.767 4.470 -0.000 0.000 0.268 734 S C 0.596 175.175 174.600 -0.036 0.000 1.317 734 S CA -0.044 58.177 58.200 0.035 0.000 1.012 734 S CB 0.356 63.600 63.200 0.073 0.000 0.926 734 S HN 0.683 nan 8.310 nan 0.000 0.539 735 H N 0.744 119.828 119.070 0.024 0.000 2.535 735 H HA 0.408 4.963 4.556 -0.000 0.000 0.273 735 H C 1.249 176.593 175.328 0.027 0.000 0.983 735 H CA 0.780 56.841 56.048 0.022 0.000 1.238 735 H CB -0.551 29.222 29.762 0.019 0.000 1.412 735 H HN 0.833 nan 8.280 nan 0.000 0.562 736 A N 1.066 123.966 122.820 0.135 0.000 2.448 736 A HA 0.411 4.730 4.320 -0.000 0.000 0.239 736 A C -0.109 177.519 177.584 0.072 0.000 1.080 736 A CA 0.117 52.213 52.037 0.098 0.000 0.779 736 A CB 0.063 19.119 19.000 0.094 0.000 1.026 736 A HN 0.319 nan 8.150 nan 0.000 0.499 737 I N 1.468 122.082 120.570 0.074 0.000 2.571 737 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 737 I C -2.540 173.626 176.117 0.082 0.000 1.115 737 I CA -1.875 59.459 61.300 0.057 0.000 1.045 737 I CB 2.347 40.370 38.000 0.039 0.000 1.238 737 I HN 0.413 nan 8.210 nan 0.000 0.424 738 P HA 0.041 nan 4.420 nan 0.000 0.268 738 P C -0.941 176.429 177.300 0.118 0.000 1.205 738 P CA 0.161 63.328 63.100 0.112 0.000 0.771 738 P CB 0.316 32.046 31.700 0.051 0.000 0.858 739 H N 3.299 122.417 119.070 0.079 0.000 2.476 739 H HA 0.360 4.916 4.556 -0.000 0.000 0.328 739 H C -1.174 174.200 175.328 0.076 0.000 1.073 739 H CA -0.830 55.255 56.048 0.063 0.000 1.229 739 H CB 0.951 30.750 29.762 0.061 0.000 1.432 739 H HN 0.219 nan 8.280 nan 0.000 0.477 740 L N 5.515 126.676 121.223 -0.103 0.000 2.264 740 L HA 0.312 4.652 4.340 -0.000 0.000 0.289 740 L C -0.556 176.386 176.870 0.120 0.000 1.044 740 L CA -0.059 54.801 54.840 0.032 0.000 0.807 740 L CB 1.144 43.155 42.059 -0.080 0.000 1.192 740 L HN 0.540 nan 8.230 nan 0.000 0.425 741 T N 3.221 117.928 114.554 0.256 0.000 2.859 741 T HA 0.599 4.949 4.350 -0.000 0.000 0.281 741 T C -0.381 174.458 174.700 0.232 0.000 1.005 741 T CA -0.410 61.838 62.100 0.247 0.000 1.025 741 T CB 1.237 70.238 68.868 0.221 0.000 0.977 741 T HN 0.659 nan 8.240 nan 0.000 0.458 742 T N 2.627 117.299 114.554 0.197 0.000 2.840 742 T HA 0.530 4.880 4.350 -0.000 0.000 0.287 742 T C -0.044 174.724 174.700 0.113 0.000 0.991 742 T CA -0.639 61.594 62.100 0.223 0.000 0.964 742 T CB 1.366 70.395 68.868 0.268 0.000 0.954 742 T HN 0.514 nan 8.240 nan 0.000 0.438 743 S N 1.313 117.042 115.700 0.049 0.000 2.718 743 S HA 0.372 4.842 4.470 -0.000 0.000 0.292 743 S C 1.243 175.803 174.600 -0.066 0.000 1.125 743 S CA -0.925 57.273 58.200 -0.003 0.000 1.013 743 S CB 1.392 64.585 63.200 -0.011 0.000 1.192 743 S HN 0.840 nan 8.310 nan 0.000 0.535 744 E N -0.760 119.400 120.200 -0.067 0.000 2.415 744 E HA 0.123 4.473 4.350 -0.000 0.000 0.197 744 E C 0.912 177.430 176.600 -0.137 0.000 1.007 744 E CA 0.300 56.646 56.400 -0.089 0.000 0.890 744 E CB 0.118 29.790 29.700 -0.047 0.000 0.891 744 E HN 0.406 nan 8.360 nan 0.000 0.496 745 M N 0.647 120.174 119.600 -0.122 0.000 2.308 745 M HA 0.245 4.725 4.480 -0.000 0.000 0.269 745 M C -1.260 174.952 176.300 -0.146 0.000 1.040 745 M CA 0.387 55.618 55.300 -0.115 0.000 1.024 745 M CB 0.896 33.467 32.600 -0.049 0.000 1.465 745 M HN -0.149 nan 8.290 nan 0.000 0.517 746 D N -1.725 118.564 120.400 -0.184 0.000 2.583 746 D HA 0.466 5.106 4.640 -0.000 0.000 0.248 746 D C -1.596 174.615 176.300 -0.149 0.000 1.209 746 D CA -0.182 53.739 54.000 -0.131 0.000 0.848 746 D CB 1.474 42.294 40.800 0.034 0.000 1.431 746 D HN -0.208 nan 8.370 nan 0.000 0.436 747 F N 0.940 120.976 119.950 0.143 0.000 2.496 747 F HA 0.426 4.953 4.527 -0.000 0.000 0.341 747 F C -0.665 175.271 175.800 0.226 0.000 1.134 747 F CA -1.229 56.852 58.000 0.134 0.000 0.968 747 F CB 1.217 40.259 39.000 0.069 0.000 1.205 747 F HN 0.299 nan 8.300 nan 0.000 0.436 748 C N 5.284 124.818 119.300 0.389 0.000 2.319 748 C HA 0.704 5.164 4.460 -0.000 0.000 0.323 748 C C -0.068 175.125 174.990 0.339 0.000 1.277 748 C CA -0.874 58.356 59.018 0.354 0.000 1.517 748 C CB -0.011 27.888 27.740 0.266 0.000 2.206 748 C HN 0.485 nan 8.230 nan 0.000 0.486 749 I N 3.213 124.030 120.570 0.412 0.000 2.354 749 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 749 I C 0.213 176.633 176.117 0.505 0.000 0.989 749 I CA 0.196 61.730 61.300 0.391 0.000 1.188 749 I CB 0.809 38.992 38.000 0.304 0.000 1.342 749 I HN 0.621 nan 8.210 nan 0.000 0.457 750 E N 5.837 126.264 120.200 0.379 0.000 2.238 750 E HA 0.720 5.070 4.350 -0.000 0.000 0.267 750 E C -1.426 175.360 176.600 0.309 0.000 0.887 750 E CA -0.988 55.596 56.400 0.307 0.000 0.769 750 E CB 2.887 32.681 29.700 0.157 0.000 1.187 750 E HN 0.295 nan 8.360 nan 0.000 0.416 751 L N 2.179 123.577 121.223 0.290 0.000 2.596 751 L HA 0.430 4.770 4.340 -0.000 0.000 0.265 751 L C 0.281 177.239 176.870 0.147 0.000 0.962 751 L CA 0.466 55.456 54.840 0.249 0.000 0.891 751 L CB 1.168 43.448 42.059 0.368 0.000 1.248 751 L HN 0.762 nan 8.230 nan 0.000 0.410 752 G N 4.305 113.160 108.800 0.091 0.000 2.634 752 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.318 752 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.318 752 G C 0.969 175.874 174.900 0.008 0.000 1.207 752 G CA 0.763 45.890 45.100 0.045 0.000 0.987 752 G HN 0.814 nan 8.290 nan 0.000 0.547 753 N N 1.585 120.278 118.700 -0.011 0.000 2.290 753 N HA -0.010 4.729 4.740 -0.000 0.000 0.179 753 N C 0.852 176.304 175.510 -0.097 0.000 1.016 753 N CA 1.254 54.273 53.050 -0.051 0.000 0.871 753 N CB -0.129 38.327 38.487 -0.051 0.000 0.987 753 N HN 0.691 nan 8.380 nan 0.000 0.431 754 K N 0.790 121.103 120.400 -0.144 0.000 2.355 754 K HA 0.136 4.456 4.320 -0.000 0.000 0.270 754 K C -0.118 176.250 176.600 -0.387 0.000 1.003 754 K CA 0.053 56.108 56.287 -0.386 0.000 0.957 754 K CB 0.969 33.101 32.500 -0.612 0.000 0.939 754 K HN 0.008 nan 8.250 nan 0.000 0.482 755 R N 2.020 122.227 120.500 -0.489 0.000 2.514 755 R HA 0.270 4.610 4.340 -0.000 0.000 0.296 755 R C -1.696 174.477 176.300 -0.212 0.000 1.012 755 R CA -0.426 55.591 56.100 -0.138 0.000 0.897 755 R CB 0.994 31.358 30.300 0.107 0.000 1.184 755 R HN 0.585 nan 8.270 nan 0.000 0.440 756 W N 3.756 125.139 121.300 0.138 0.000 2.573 756 W HA 0.392 5.052 4.660 -0.000 0.000 0.326 756 W C -0.530 176.048 176.519 0.099 0.000 1.049 756 W CA -0.574 56.797 57.345 0.043 0.000 1.220 756 W CB 2.152 31.666 29.460 0.089 0.000 1.373 756 W HN 0.444 nan 8.180 nan 0.000 0.507 757 Q N 3.050 122.921 119.800 0.118 0.000 2.290 757 Q HA 0.359 4.699 4.340 -0.000 0.000 0.269 757 Q C -1.913 174.038 176.000 -0.081 0.000 1.016 757 Q CA -0.482 55.399 55.803 0.131 0.000 0.754 757 Q CB 1.223 30.054 28.738 0.154 0.000 1.247 757 Q HN 0.323 nan 8.270 nan 0.000 0.451 758 F N 2.925 122.943 119.950 0.113 0.000 2.388 758 F HA 0.292 4.819 4.527 0.000 0.000 0.358 758 F C 0.664 176.486 175.800 0.038 0.000 1.122 758 F CA -0.828 57.209 58.000 0.062 0.000 1.056 758 F CB 1.114 40.158 39.000 0.073 0.000 1.155 758 F HN 0.477 nan 8.300 nan 0.000 0.461 759 N N 4.131 122.915 118.700 0.140 0.000 2.406 759 N HA 0.024 4.764 4.740 -0.000 0.000 0.265 759 N C 0.981 176.509 175.510 0.030 0.000 1.203 759 N CA 0.070 53.161 53.050 0.068 0.000 0.945 759 N CB 0.523 39.054 38.487 0.074 0.000 1.165 759 N HN 0.678 nan 8.380 nan 0.000 0.485 760 R N 1.884 122.328 120.500 -0.092 0.000 2.341 760 R HA -0.067 4.273 4.340 -0.000 0.000 0.213 760 R C 1.353 177.594 176.300 -0.098 0.000 1.082 760 R CA 0.601 56.596 56.100 -0.175 0.000 1.017 760 R CB 0.237 30.282 30.300 -0.426 0.000 0.860 760 R HN 0.619 nan 8.270 nan 0.000 0.473 761 Q N -0.483 119.288 119.800 -0.047 0.000 2.376 761 Q HA 0.084 4.424 4.340 -0.000 0.000 0.206 761 Q C 1.148 177.152 176.000 0.007 0.000 0.921 761 Q CA 0.928 56.718 55.803 -0.021 0.000 0.911 761 Q CB 0.728 29.465 28.738 -0.002 0.000 1.032 761 Q HN 0.243 nan 8.270 nan 0.000 0.510 762 S N -1.715 114.003 115.700 0.030 0.000 2.541 762 S HA 0.264 4.734 4.470 -0.000 0.000 0.219 762 S C 1.132 175.646 174.600 -0.142 0.000 1.025 762 S CA 0.669 58.903 58.200 0.056 0.000 0.917 762 S CB 0.803 64.161 63.200 0.263 0.000 0.859 762 S HN 0.455 nan 8.310 nan 0.000 0.584 763 G N 0.818 109.545 108.800 -0.123 0.000 2.159 763 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.170 763 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.170 763 G C -0.288 174.518 174.900 -0.157 0.000 1.007 763 G CA -0.548 44.482 45.100 -0.117 0.000 0.672 763 G HN 0.304 nan 8.290 nan 0.000 0.507 764 F N -0.667 119.464 119.950 0.302 0.000 2.579 764 F HA 0.742 5.269 4.527 0.000 0.000 0.324 764 F C 0.321 176.146 175.800 0.041 0.000 1.058 764 F CA -1.749 56.379 58.000 0.212 0.000 0.944 764 F CB 1.431 40.508 39.000 0.128 0.000 1.245 764 F HN -0.002 nan 8.300 nan 0.000 0.477 765 L N 2.046 123.304 121.223 0.058 0.000 2.530 765 L HA 0.188 4.528 4.340 -0.000 0.000 0.273 765 L C 1.071 177.828 176.870 -0.189 0.000 1.141 765 L CA 0.486 55.041 54.840 -0.476 0.000 0.905 765 L CB 0.177 41.930 42.059 -0.509 0.000 1.202 765 L HN 0.727 nan 8.230 nan 0.000 0.473 766 S N 2.651 118.239 115.700 -0.187 0.000 2.503 766 S HA 0.231 4.701 4.470 -0.000 0.000 0.217 766 S C 0.547 175.011 174.600 -0.226 0.000 0.999 766 S CA 0.049 58.181 58.200 -0.113 0.000 0.914 766 S CB 0.063 63.243 63.200 -0.034 0.000 0.782 766 S HN 0.694 nan 8.310 nan 0.000 0.520 767 Q N -0.459 119.134 119.800 -0.346 0.000 2.617 767 Q HA 0.596 4.936 4.340 -0.000 0.000 0.270 767 Q C -2.045 173.572 176.000 -0.638 0.000 0.967 767 Q CA -0.196 55.273 55.803 -0.556 0.000 0.887 767 Q CB 1.221 29.515 28.738 -0.741 0.000 1.516 767 Q HN 0.404 nan 8.270 nan 0.000 0.395 768 M N 1.535 120.663 119.600 -0.788 0.000 2.593 768 M HA 0.668 5.148 4.480 -0.000 0.000 0.290 768 M C -1.397 174.455 176.300 -0.747 0.000 1.244 768 M CA -0.538 54.349 55.300 -0.688 0.000 0.857 768 M CB 2.293 34.503 32.600 -0.650 0.000 1.738 768 M HN 0.516 nan 8.290 nan 0.000 0.461 769 W N 2.468 123.525 121.300 -0.405 0.000 2.998 769 W HA 0.535 5.195 4.660 -0.000 0.000 0.335 769 W C -1.468 174.852 176.519 -0.332 0.000 1.110 769 W CA -0.526 56.640 57.345 -0.298 0.000 1.230 769 W CB 1.563 30.887 29.460 -0.225 0.000 1.405 769 W HN 0.505 nan 8.180 nan 0.000 0.493 770 I N 4.067 124.632 120.570 -0.008 0.000 2.621 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.276 770 I C 0.757 176.857 176.117 -0.029 0.000 1.118 770 I CA 0.100 61.349 61.300 -0.085 0.000 1.159 770 I CB 0.464 38.386 38.000 -0.131 0.000 1.357 770 I HN 0.640 nan 8.210 nan 0.000 0.513 771 G N 4.941 113.723 108.800 -0.030 0.000 2.503 771 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 771 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 771 G C -0.010 174.863 174.900 -0.045 0.000 1.179 771 G CA 0.176 45.249 45.100 -0.046 0.000 0.944 771 G HN 0.627 nan 8.290 nan 0.000 0.580 772 D N 0.946 121.321 120.400 -0.043 0.000 2.395 772 D HA 0.272 4.912 4.640 -0.000 0.000 0.226 772 D C 0.245 176.599 176.300 0.090 0.000 1.146 772 D CA 0.156 54.120 54.000 -0.061 0.000 0.830 772 D CB 0.248 41.001 40.800 -0.079 0.000 0.958 772 D HN 0.337 nan 8.370 nan 0.000 0.501 773 K N 1.283 121.785 120.400 0.169 0.000 2.265 773 K HA 0.296 4.616 4.320 -0.000 0.000 0.267 773 K C 0.405 177.137 176.600 0.221 0.000 0.994 773 K CA -0.473 55.907 56.287 0.156 0.000 0.860 773 K CB 1.935 34.455 32.500 0.033 0.000 1.099 773 K HN 0.069 nan 8.250 nan 0.000 0.448 774 K N 1.804 122.269 120.400 0.109 0.000 2.319 774 K HA 0.062 4.382 4.320 -0.000 0.000 0.265 774 K C 0.958 177.413 176.600 -0.242 0.000 1.000 774 K CA -0.259 55.877 56.287 -0.253 0.000 0.943 774 K CB 0.659 33.063 32.500 -0.160 0.000 0.950 774 K HN 0.352 nan 8.250 nan 0.000 0.485 775 Q N 0.599 120.180 119.800 -0.366 0.000 2.322 775 Q HA 0.228 4.568 4.340 -0.000 0.000 0.250 775 Q C 0.095 176.018 176.000 -0.130 0.000 0.853 775 Q CA 0.487 56.185 55.803 -0.175 0.000 0.951 775 Q CB 0.635 29.268 28.738 -0.175 0.000 1.114 775 Q HN 0.487 nan 8.270 nan 0.000 0.523 776 L N 0.655 121.734 121.223 -0.240 0.000 2.354 776 L HA 0.429 4.769 4.340 -0.000 0.000 0.269 776 L C 0.767 177.514 176.870 -0.205 0.000 1.005 776 L CA -0.379 54.346 54.840 -0.192 0.000 0.819 776 L CB 1.863 43.804 42.059 -0.198 0.000 1.311 776 L HN -0.099 nan 8.230 nan 0.000 0.423 777 L N 0.353 121.449 121.223 -0.212 0.000 2.638 777 L HA 0.284 4.624 4.340 -0.000 0.000 0.232 777 L C -0.182 176.576 176.870 -0.186 0.000 1.099 777 L CA 0.507 55.226 54.840 -0.201 0.000 0.883 777 L CB 0.654 42.568 42.059 -0.242 0.000 1.136 777 L HN 0.635 nan 8.230 nan 0.000 0.492 778 T N -0.265 114.167 114.554 -0.203 0.000 2.993 778 T HA 0.351 4.701 4.350 -0.000 0.000 0.312 778 T C -2.631 172.019 174.700 -0.082 0.000 1.115 778 T CA -1.083 60.945 62.100 -0.120 0.000 1.027 778 T CB 2.491 71.285 68.868 -0.123 0.000 1.116 778 T HN -0.295 nan 8.240 nan 0.000 0.464 779 P HA 0.095 nan 4.420 nan 0.000 0.267 779 P C -0.588 176.701 177.300 -0.018 0.000 1.201 779 P CA -0.689 62.397 63.100 -0.024 0.000 0.775 779 P CB 0.402 32.113 31.700 0.017 0.000 0.854 780 L N 4.005 125.252 121.223 0.040 0.000 2.363 780 L HA 0.229 4.569 4.340 -0.000 0.000 0.286 780 L C 0.105 176.997 176.870 0.036 0.000 1.106 780 L CA 0.488 55.394 54.840 0.109 0.000 0.859 780 L CB -0.945 41.270 42.059 0.260 0.000 1.223 780 L HN 0.287 nan 8.230 nan 0.000 0.446 781 R N 2.516 122.927 120.500 -0.149 0.000 2.919 781 R HA 0.554 4.894 4.340 -0.000 0.000 0.260 781 R C -0.765 175.409 176.300 -0.211 0.000 1.067 781 R CA -1.036 54.812 56.100 -0.420 0.000 1.003 781 R CB 0.942 30.805 30.300 -0.728 0.000 1.192 781 R HN 0.471 nan 8.270 nan 0.000 0.488 782 D N 0.639 120.937 120.400 -0.170 0.000 2.344 782 D HA 0.124 4.764 4.640 -0.000 0.000 0.244 782 D C -0.570 175.241 176.300 -0.813 0.000 1.134 782 D CA 0.124 53.854 54.000 -0.450 0.000 0.930 782 D CB 0.756 41.204 40.800 -0.586 0.000 1.175 782 D HN 0.205 nan 8.370 nan 0.000 0.437 783 Q N 0.724 119.838 119.800 -1.143 0.000 2.289 783 Q HA 0.340 4.680 4.340 -0.000 0.000 0.270 783 Q C -1.389 173.789 176.000 -1.370 0.000 1.038 783 Q CA -0.558 54.624 55.803 -1.035 0.000 0.812 783 Q CB 0.900 29.298 28.738 -0.566 0.000 1.300 783 Q HN 0.488 nan 8.270 nan 0.000 0.427 784 F N 0.387 119.884 119.950 -0.754 0.000 2.781 784 F HA 0.201 4.728 4.527 -0.000 0.000 0.322 784 F C 0.484 175.811 175.800 -0.787 0.000 1.108 784 F CA -0.050 57.407 58.000 -0.905 0.000 1.179 784 F CB 1.301 39.389 39.000 -1.519 0.000 1.072 784 F HN 0.426 nan 8.300 nan 0.000 0.545 785 T N -0.765 113.454 114.554 -0.558 0.000 2.910 785 T HA 0.858 5.208 4.350 -0.000 0.000 0.287 785 T C -0.521 173.925 174.700 -0.422 0.000 1.050 785 T CA -0.961 60.756 62.100 -0.639 0.000 1.011 785 T CB 2.913 71.349 68.868 -0.721 0.000 1.195 785 T HN 0.258 nan 8.240 nan 0.000 0.540 786 R N -0.721 119.610 120.500 -0.282 0.000 2.680 786 R HA 0.708 5.048 4.340 -0.000 0.000 0.269 786 R C -1.082 175.274 176.300 0.093 0.000 1.026 786 R CA -1.162 54.883 56.100 -0.093 0.000 0.889 786 R CB 1.204 31.440 30.300 -0.107 0.000 1.241 786 R HN 0.872 nan 8.270 nan 0.000 0.463 787 A N 3.844 126.694 122.820 0.050 0.000 2.507 787 A HA 0.215 4.535 4.320 -0.000 0.000 0.281 787 A C -1.803 175.840 177.584 0.098 0.000 1.154 787 A CA -0.965 51.096 52.037 0.039 0.000 0.828 787 A CB -0.674 18.299 19.000 -0.044 0.000 1.069 787 A HN 0.569 nan 8.150 nan 0.000 0.522 788 P HA -0.060 nan 4.420 nan 0.000 0.257 788 P C -0.198 177.226 177.300 0.206 0.000 1.153 788 P CA 0.805 64.073 63.100 0.279 0.000 0.762 788 P CB 0.265 32.142 31.700 0.295 0.000 0.743 789 L N 2.991 124.319 121.223 0.175 0.000 2.468 789 L HA 0.160 4.500 4.340 -0.000 0.000 0.254 789 L C 1.999 178.940 176.870 0.118 0.000 1.171 789 L CA -0.502 54.389 54.840 0.085 0.000 0.809 789 L CB -0.014 42.031 42.059 -0.023 0.000 1.155 789 L HN 0.295 nan 8.230 nan 0.000 0.473 790 D N 0.306 120.736 120.400 0.050 0.000 2.123 790 D HA -0.161 4.478 4.640 -0.000 0.000 0.196 790 D C 1.538 177.822 176.300 -0.026 0.000 0.992 790 D CA 1.404 55.382 54.000 -0.037 0.000 0.833 790 D CB 0.026 40.717 40.800 -0.181 0.000 0.954 790 D HN 0.486 nan 8.370 nan 0.000 0.455 791 N N 1.162 119.844 118.700 -0.031 0.000 2.364 791 N HA -0.108 4.632 4.740 -0.000 0.000 0.183 791 N C 1.056 176.602 175.510 0.060 0.000 1.022 791 N CA 0.702 53.749 53.050 -0.005 0.000 0.883 791 N CB -0.075 38.391 38.487 -0.035 0.000 0.965 791 N HN 0.289 nan 8.380 nan 0.000 0.438 792 D N 0.166 120.621 120.400 0.092 0.000 2.289 792 D HA 0.093 4.732 4.640 -0.000 0.000 0.207 792 D C 1.889 178.261 176.300 0.120 0.000 0.966 792 D CA 0.283 54.367 54.000 0.140 0.000 0.868 792 D CB 0.386 41.346 40.800 0.266 0.000 0.943 792 D HN 0.335 nan 8.370 nan 0.000 0.514 793 I N 0.051 120.686 120.570 0.109 0.000 2.731 793 I HA 0.100 4.270 4.170 -0.000 0.000 0.260 793 I C 1.778 177.944 176.117 0.081 0.000 1.138 793 I CA 0.479 61.833 61.300 0.090 0.000 1.461 793 I CB -0.101 37.945 38.000 0.077 0.000 1.128 793 I HN 0.016 nan 8.210 nan 0.000 0.438 794 G N 1.692 110.557 108.800 0.108 0.000 2.583 794 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.292 794 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.292 794 G C 0.613 175.674 174.900 0.268 0.000 1.203 794 G CA 0.748 45.957 45.100 0.183 0.000 0.987 794 G HN 0.509 nan 8.290 nan 0.000 0.554 795 V N -2.164 117.833 119.914 0.137 0.000 3.271 795 V HA 0.663 4.783 4.120 -0.000 0.000 0.327 795 V C 0.998 177.086 176.094 -0.011 0.000 1.389 795 V CA 1.015 63.322 62.300 0.012 0.000 1.156 795 V CB 0.278 32.004 31.823 -0.161 0.000 1.103 795 V HN 1.307 nan 8.190 nan 0.000 0.453 796 S N 1.318 117.030 115.700 0.020 0.000 2.481 796 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 796 S C -0.015 174.591 174.600 0.010 0.000 1.247 796 S CA -0.092 58.109 58.200 0.002 0.000 1.053 796 S CB 0.321 63.525 63.200 0.007 0.000 0.925 796 S HN 0.770 nan 8.310 nan 0.000 0.491 797 E N 2.235 122.434 120.200 -0.002 0.000 2.316 797 E HA 0.607 4.957 4.350 -0.000 0.000 0.258 797 E C 1.123 177.732 176.600 0.015 0.000 0.952 797 E CA -0.543 55.861 56.400 0.008 0.000 0.818 797 E CB 1.235 30.933 29.700 -0.004 0.000 1.260 797 E HN 0.653 nan 8.360 nan 0.000 0.416 798 A N 0.271 123.107 122.820 0.027 0.000 1.884 798 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 798 A C 2.126 179.723 177.584 0.021 0.000 1.197 798 A CA 3.012 55.068 52.037 0.031 0.000 0.637 798 A CB -1.319 17.706 19.000 0.042 0.000 0.827 798 A HN 0.741 nan 8.150 nan 0.000 0.450 799 T N -3.555 111.008 114.554 0.015 0.000 2.939 799 T HA 0.105 4.455 4.350 -0.000 0.000 0.254 799 T C 1.087 175.785 174.700 -0.002 0.000 1.041 799 T CA 0.932 63.037 62.100 0.008 0.000 1.142 799 T CB -0.084 68.788 68.868 0.007 0.000 0.874 799 T HN 0.229 nan 8.240 nan 0.000 0.452 800 R N 0.883 121.377 120.500 -0.010 0.000 2.233 800 R HA 0.557 4.897 4.340 -0.000 0.000 0.334 800 R C -1.510 174.778 176.300 -0.021 0.000 1.037 800 R CA -0.938 55.149 56.100 -0.022 0.000 0.920 800 R CB -0.377 29.899 30.300 -0.039 0.000 1.137 800 R HN 0.274 nan 8.270 nan 0.000 0.492 801 I N 2.717 123.276 120.570 -0.017 0.000 2.365 801 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 801 I C -0.065 176.035 176.117 -0.029 0.000 1.004 801 I CA -0.335 60.956 61.300 -0.016 0.000 1.311 801 I CB 1.473 39.468 38.000 -0.008 0.000 1.401 801 I HN 0.477 nan 8.210 nan 0.000 0.491 802 D N 8.837 129.217 120.400 -0.033 0.000 2.456 802 D HA 0.254 4.894 4.640 -0.000 0.000 0.219 802 D C -1.646 174.616 176.300 -0.063 0.000 1.126 802 D CA -2.311 51.660 54.000 -0.048 0.000 0.890 802 D CB 1.365 42.138 40.800 -0.045 0.000 1.025 802 D HN 0.241 nan 8.370 nan 0.000 0.511 803 P HA -0.138 nan 4.420 nan 0.000 0.226 803 P C 0.806 178.024 177.300 -0.136 0.000 1.146 803 P CA 0.636 63.685 63.100 -0.085 0.000 0.773 803 P CB 0.549 32.207 31.700 -0.070 0.000 0.772 804 N N 0.258 118.870 118.700 -0.147 0.000 2.368 804 N HA 0.048 4.788 4.740 -0.000 0.000 0.176 804 N C 0.579 175.909 175.510 -0.300 0.000 1.021 804 N CA 0.210 53.130 53.050 -0.216 0.000 0.888 804 N CB -0.532 37.854 38.487 -0.168 0.000 0.995 804 N HN -0.046 nan 8.380 nan 0.000 0.437 805 A N -0.246 122.448 122.820 -0.210 0.000 2.561 805 A HA -0.026 4.294 4.320 -0.000 0.000 0.234 805 A C 0.739 178.134 177.584 -0.314 0.000 1.055 805 A CA -0.120 51.797 52.037 -0.200 0.000 0.756 805 A CB -0.300 18.654 19.000 -0.077 0.000 0.986 805 A HN 0.560 nan 8.150 nan 0.000 0.505 806 W N 1.745 122.804 121.300 -0.402 0.000 2.318 806 W HA -0.194 4.466 4.660 -0.000 0.000 0.313 806 W C 2.246 178.182 176.519 -0.973 0.000 1.221 806 W CA 1.778 58.612 57.345 -0.853 0.000 1.266 806 W CB -0.385 28.449 29.460 -1.042 0.000 1.150 806 W HN 0.581 nan 8.180 nan 0.000 0.496 807 V N 0.803 120.606 119.914 -0.185 0.000 2.332 807 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 807 V C 2.178 178.376 176.094 0.174 0.000 1.055 807 V CA 2.191 64.610 62.300 0.198 0.000 1.038 807 V CB -0.351 31.615 31.823 0.238 0.000 0.651 807 V HN 0.087 nan 8.190 nan 0.000 0.450 808 E N -0.047 120.159 120.200 0.011 0.000 2.072 808 E HA -0.152 4.197 4.350 -0.000 0.000 0.190 808 E C 2.358 178.939 176.600 -0.032 0.000 0.982 808 E CA 1.059 57.462 56.400 0.006 0.000 0.803 808 E CB -0.412 29.264 29.700 -0.040 0.000 0.755 808 E HN 0.611 nan 8.360 nan 0.000 0.453 809 R N 0.006 120.406 120.500 -0.166 0.000 2.091 809 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 809 R C 2.273 178.517 176.300 -0.092 0.000 1.136 809 R CA 1.362 57.339 56.100 -0.206 0.000 0.959 809 R CB -0.258 29.799 30.300 -0.404 0.000 0.856 809 R HN 0.288 nan 8.270 nan 0.000 0.437 810 W N 1.447 122.717 121.300 -0.049 0.000 2.378 810 W HA -0.058 4.602 4.660 -0.000 0.000 0.313 810 W C 2.120 178.571 176.519 -0.114 0.000 1.197 810 W CA 0.531 57.748 57.345 -0.212 0.000 1.304 810 W CB -0.853 28.604 29.460 -0.004 0.000 1.148 810 W HN 0.092 nan 8.180 nan 0.000 0.494 811 K N 0.323 120.944 120.400 0.368 0.000 2.001 811 K HA -0.182 4.138 4.320 -0.000 0.000 0.214 811 K C 2.293 178.949 176.600 0.094 0.000 1.050 811 K CA 2.265 58.727 56.287 0.291 0.000 0.934 811 K CB -0.812 31.822 32.500 0.224 0.000 0.718 811 K HN -0.000 nan 8.250 nan 0.000 0.443 812 A N 1.401 124.246 122.820 0.042 0.000 1.892 812 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 812 A C 2.371 179.919 177.584 -0.060 0.000 1.188 812 A CA 2.201 54.237 52.037 -0.002 0.000 0.631 812 A CB -0.962 18.029 19.000 -0.015 0.000 0.822 812 A HN 0.407 nan 8.150 nan 0.000 0.447 813 A N -2.197 120.561 122.820 -0.103 0.000 2.070 813 A HA 0.293 4.613 4.320 -0.000 0.000 0.220 813 A C 2.119 179.589 177.584 -0.189 0.000 1.159 813 A CA 1.747 53.706 52.037 -0.131 0.000 0.656 813 A CB -0.966 17.883 19.000 -0.252 0.000 0.800 813 A HN 2.078 nan 8.150 nan 0.000 0.453 814 G N -2.592 106.047 108.800 -0.269 0.000 2.159 814 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.227 814 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.227 814 G C 0.567 175.486 174.900 0.032 0.000 0.986 814 G CA 0.646 45.448 45.100 -0.498 0.000 0.651 814 G HN 0.739 nan 8.290 nan 0.000 0.523 815 H N -1.308 117.747 119.070 -0.024 0.000 2.387 815 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 815 H C 2.141 177.418 175.328 -0.086 0.000 1.099 815 H CA 1.527 57.568 56.048 -0.010 0.000 1.315 815 H CB 0.042 29.720 29.762 -0.140 0.000 1.380 815 H HN 0.532 nan 8.280 nan 0.000 0.513 816 Y N 0.977 121.399 120.300 0.203 0.000 2.571 816 Y HA -0.084 4.466 4.550 0.000 0.000 0.294 816 Y C 0.950 176.935 175.900 0.141 0.000 1.141 816 Y CA 0.663 58.841 58.100 0.130 0.000 1.308 816 Y CB 0.270 38.797 38.460 0.111 0.000 1.002 816 Y HN 0.369 nan 8.280 nan 0.000 0.551 817 Q N -0.766 119.210 119.800 0.294 0.000 3.180 817 Q HA 0.630 4.969 4.340 -0.000 0.000 0.317 817 Q C -0.909 175.304 176.000 0.356 0.000 0.824 817 Q CA -0.434 55.546 55.803 0.296 0.000 0.926 817 Q CB 0.682 29.591 28.738 0.284 0.000 1.487 817 Q HN 0.090 nan 8.270 nan 0.000 0.389 818 A N 1.071 124.120 122.820 0.383 0.000 2.276 818 A HA 0.528 4.848 4.320 -0.000 0.000 0.316 818 A C -0.648 177.241 177.584 0.510 0.000 1.229 818 A CA -0.510 51.821 52.037 0.490 0.000 0.851 818 A CB 1.090 20.454 19.000 0.607 0.000 1.165 818 A HN 0.444 nan 8.150 nan 0.000 0.513 819 E N 1.755 122.163 120.200 0.346 0.000 2.194 819 E HA 0.484 4.834 4.350 -0.000 0.000 0.284 819 E C 0.094 176.709 176.600 0.025 0.000 1.035 819 E CA 0.155 56.675 56.400 0.199 0.000 0.836 819 E CB 1.043 30.822 29.700 0.132 0.000 1.070 819 E HN 0.713 nan 8.360 nan 0.000 0.401 820 A N 3.795 126.510 122.820 -0.176 0.000 2.437 820 A HA 0.532 4.852 4.320 -0.000 0.000 0.303 820 A C 0.033 177.456 177.584 -0.267 0.000 1.324 820 A CA -0.078 51.524 52.037 -0.724 0.000 0.983 820 A CB -0.089 18.429 19.000 -0.802 0.000 1.142 820 A HN 0.613 nan 8.150 nan 0.000 0.541 821 A N 2.838 125.537 122.820 -0.202 0.000 2.328 821 A HA 0.555 4.875 4.320 -0.000 0.000 0.284 821 A C -0.139 177.394 177.584 -0.084 0.000 1.160 821 A CA -0.486 51.505 52.037 -0.078 0.000 0.818 821 A CB 0.238 19.215 19.000 -0.038 0.000 1.087 821 A HN 1.189 nan 8.150 nan 0.000 0.504 822 L N 3.397 124.566 121.223 -0.090 0.000 2.313 822 L HA 0.344 4.684 4.340 -0.000 0.000 0.282 822 L C 0.487 177.251 176.870 -0.177 0.000 1.092 822 L CA 0.220 54.927 54.840 -0.222 0.000 0.831 822 L CB 0.339 42.272 42.059 -0.210 0.000 1.159 822 L HN 0.767 nan 8.230 nan 0.000 0.442 823 L N 3.295 124.392 121.223 -0.210 0.000 2.316 823 L HA 0.294 4.634 4.340 -0.000 0.000 0.207 823 L C 0.601 177.405 176.870 -0.109 0.000 1.070 823 L CA 0.188 54.960 54.840 -0.115 0.000 0.820 823 L CB 0.006 42.023 42.059 -0.069 0.000 0.992 823 L HN 0.739 nan 8.230 nan 0.000 0.466 824 Q N -0.708 118.996 119.800 -0.160 0.000 2.472 824 Q HA 0.324 4.664 4.340 -0.000 0.000 0.281 824 Q C -1.993 173.936 176.000 -0.117 0.000 0.997 824 Q CA -0.595 55.147 55.803 -0.102 0.000 0.828 824 Q CB 2.978 31.682 28.738 -0.057 0.000 1.443 824 Q HN 0.047 nan 8.270 nan 0.000 0.390 825 C N 3.037 122.318 119.300 -0.032 0.000 3.277 825 C HA 0.562 5.021 4.460 -0.000 0.000 0.352 825 C C -0.769 174.329 174.990 0.180 0.000 0.998 825 C CA 0.471 59.514 59.018 0.042 0.000 1.303 825 C CB -0.038 27.718 27.740 0.027 0.000 1.698 825 C HN 0.805 nan 8.230 nan 0.000 0.574 826 T N 1.764 116.358 114.554 0.067 0.000 2.942 826 T HA 0.916 5.266 4.350 -0.000 0.000 0.289 826 T C -0.282 174.214 174.700 -0.339 0.000 1.044 826 T CA -0.144 61.944 62.100 -0.020 0.000 1.023 826 T CB 2.028 70.868 68.868 -0.046 0.000 1.123 826 T HN 1.718 nan 8.240 nan 0.000 0.512 827 A N 1.431 123.883 122.820 -0.612 0.000 2.393 827 A HA 0.756 5.076 4.320 -0.000 0.000 0.306 827 A C -1.441 175.888 177.584 -0.424 0.000 1.050 827 A CA -0.752 50.830 52.037 -0.758 0.000 0.724 827 A CB 1.418 19.516 19.000 -1.503 0.000 1.248 827 A HN 0.823 nan 8.150 nan 0.000 0.424 828 D N 0.315 120.531 120.400 -0.306 0.000 2.547 828 D HA 0.671 5.311 4.640 -0.000 0.000 0.231 828 D C -0.762 175.434 176.300 -0.174 0.000 1.099 828 D CA 0.033 53.914 54.000 -0.198 0.000 0.901 828 D CB 2.043 42.758 40.800 -0.141 0.000 1.478 828 D HN 0.367 nan 8.370 nan 0.000 0.471 829 T N 0.958 115.432 114.554 -0.133 0.000 2.794 829 T HA 0.628 4.978 4.350 -0.000 0.000 0.280 829 T C 0.145 174.792 174.700 -0.087 0.000 0.987 829 T CA -0.545 61.486 62.100 -0.115 0.000 0.993 829 T CB 0.728 69.531 68.868 -0.109 0.000 0.939 829 T HN 0.080 nan 8.240 nan 0.000 0.449 830 L N 1.148 122.324 121.223 -0.079 0.000 2.260 830 L HA 0.629 4.969 4.340 -0.000 0.000 0.265 830 L C 1.745 178.586 176.870 -0.050 0.000 1.015 830 L CA -1.348 53.456 54.840 -0.060 0.000 0.826 830 L CB 0.686 42.709 42.059 -0.059 0.000 1.373 830 L HN 0.719 nan 8.230 nan 0.000 0.450 831 A N 0.249 123.045 122.820 -0.040 0.000 2.234 831 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 831 A C 0.625 178.189 177.584 -0.032 0.000 1.167 831 A CA 1.855 53.872 52.037 -0.033 0.000 0.698 831 A CB -0.642 18.341 19.000 -0.029 0.000 0.779 831 A HN 0.870 nan 8.150 nan 0.000 0.475 832 D N -3.993 116.385 120.400 -0.036 0.000 3.048 832 D HA 0.419 5.059 4.640 -0.000 0.000 0.290 832 D C -0.285 175.994 176.300 -0.036 0.000 1.667 832 D CA 0.609 54.590 54.000 -0.032 0.000 0.835 832 D CB -0.934 39.846 40.800 -0.034 0.000 1.438 832 D HN 0.754 nan 8.370 nan 0.000 0.463 833 A N -0.443 122.347 122.820 -0.050 0.000 2.581 833 A HA 0.533 4.853 4.320 -0.000 0.000 0.294 833 A C -1.386 176.144 177.584 -0.090 0.000 1.035 833 A CA -0.654 51.342 52.037 -0.068 0.000 0.684 833 A CB 1.156 20.115 19.000 -0.069 0.000 1.282 833 A HN 0.087 nan 8.150 nan 0.000 0.417 834 V N 0.962 120.806 119.914 -0.115 0.000 2.743 834 V HA 0.636 4.756 4.120 -0.000 0.000 0.301 834 V C -0.455 175.537 176.094 -0.170 0.000 1.057 834 V CA -0.397 61.816 62.300 -0.146 0.000 1.006 834 V CB 1.443 33.179 31.823 -0.144 0.000 1.024 834 V HN 0.889 nan 8.190 nan 0.000 0.473 835 L N 5.284 126.388 121.223 -0.199 0.000 2.427 835 L HA 0.546 4.886 4.340 -0.000 0.000 0.264 835 L C -0.753 175.962 176.870 -0.257 0.000 0.989 835 L CA -0.005 54.724 54.840 -0.184 0.000 0.865 835 L CB 1.148 43.129 42.059 -0.131 0.000 1.209 835 L HN 0.385 nan 8.230 nan 0.000 0.430 836 I N 3.551 123.940 120.570 -0.300 0.000 2.331 836 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 836 I C 0.206 176.258 176.117 -0.108 0.000 0.998 836 I CA -0.127 60.937 61.300 -0.394 0.000 1.267 836 I CB 1.265 38.713 38.000 -0.920 0.000 1.386 836 I HN 0.503 nan 8.210 nan 0.000 0.476 837 T N 5.397 119.895 114.554 -0.093 0.000 2.770 837 T HA 0.512 4.862 4.350 -0.000 0.000 0.283 837 T C 0.435 175.159 174.700 0.040 0.000 0.988 837 T CA -0.492 61.611 62.100 0.006 0.000 0.957 837 T CB 1.405 70.256 68.868 -0.028 0.000 0.930 837 T HN 0.793 nan 8.240 nan 0.000 0.443 838 T N -0.199 114.428 114.554 0.121 0.000 2.927 838 T HA 0.892 5.242 4.350 -0.000 0.000 0.286 838 T C -0.916 173.801 174.700 0.028 0.000 1.040 838 T CA -1.111 61.030 62.100 0.068 0.000 1.010 838 T CB 1.938 70.957 68.868 0.251 0.000 1.177 838 T HN 0.795 nan 8.240 nan 0.000 0.546 839 A N 1.459 124.190 122.820 -0.149 0.000 2.508 839 A HA 0.585 4.905 4.320 -0.000 0.000 0.297 839 A C -1.373 176.063 177.584 -0.247 0.000 1.036 839 A CA -0.810 51.197 52.037 -0.049 0.000 0.957 839 A CB -0.009 18.978 19.000 -0.022 0.000 1.428 839 A HN 0.982 nan 8.150 nan 0.000 0.393 840 H N 0.602 119.715 119.070 0.073 0.000 2.670 840 H HA 0.842 5.398 4.556 -0.000 0.000 0.361 840 H C 0.185 175.545 175.328 0.052 0.000 1.169 840 H CA 0.079 56.094 56.048 -0.054 0.000 1.198 840 H CB 2.091 31.682 29.762 -0.284 0.000 1.700 840 H HN 1.036 nan 8.280 nan 0.000 0.542 841 A N 1.732 124.598 122.820 0.076 0.000 2.545 841 A HA 0.220 4.540 4.320 -0.000 0.000 0.300 841 A C -1.252 176.413 177.584 0.134 0.000 1.252 841 A CA -0.684 51.448 52.037 0.158 0.000 0.753 841 A CB 0.445 19.500 19.000 0.091 0.000 1.144 841 A HN 0.541 nan 8.150 nan 0.000 0.457 842 W N 2.498 123.951 121.300 0.256 0.000 2.304 842 W HA 0.315 4.975 4.660 -0.000 0.000 0.313 842 W C 0.128 176.728 176.519 0.136 0.000 1.323 842 W CA 0.382 57.885 57.345 0.263 0.000 1.223 842 W CB 0.857 30.576 29.460 0.432 0.000 1.237 842 W HN 0.713 nan 8.180 nan 0.000 0.535 843 Q N 1.176 121.156 119.800 0.301 0.000 2.668 843 Q HA 0.462 4.802 4.340 -0.000 0.000 0.298 843 Q C -0.936 175.228 176.000 0.273 0.000 1.071 843 Q CA -0.983 54.943 55.803 0.205 0.000 0.789 843 Q CB 3.416 32.228 28.738 0.123 0.000 1.497 843 Q HN 0.390 nan 8.270 nan 0.000 0.460 844 H N 0.793 119.923 119.070 0.100 0.000 3.188 844 H HA 0.049 4.605 4.556 -0.000 0.000 0.325 844 H C -1.186 174.185 175.328 0.073 0.000 1.033 844 H CA -0.008 56.103 56.048 0.105 0.000 1.443 844 H CB 0.911 30.750 29.762 0.129 0.000 1.968 844 H HN 0.843 nan 8.280 nan 0.000 0.449 845 Q N 3.510 123.157 119.800 -0.255 0.000 2.451 845 Q HA -0.263 4.076 4.340 -0.000 0.000 0.305 845 Q C 1.026 177.011 176.000 -0.024 0.000 1.345 845 Q CA 1.219 56.927 55.803 -0.159 0.000 0.854 845 Q CB -1.630 27.004 28.738 -0.173 0.000 1.162 845 Q HN 1.184 nan 8.270 nan 0.000 0.440 846 G N -0.315 108.484 108.800 -0.001 0.000 2.640 846 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.226 846 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.226 846 G C 0.268 175.191 174.900 0.037 0.000 1.222 846 G CA 0.429 45.540 45.100 0.019 0.000 0.729 846 G HN 0.390 nan 8.290 nan 0.000 0.516 847 K N 2.893 123.325 120.400 0.053 0.000 2.453 847 K HA 0.440 4.760 4.320 -0.000 0.000 0.280 847 K C 0.110 176.735 176.600 0.042 0.000 1.045 847 K CA 0.797 57.114 56.287 0.049 0.000 1.059 847 K CB 0.048 32.587 32.500 0.065 0.000 0.901 847 K HN 0.219 nan 8.250 nan 0.000 0.475 848 T N 7.035 121.599 114.554 0.016 0.000 2.723 848 T HA 0.186 4.536 4.350 -0.000 0.000 0.297 848 T C 1.247 175.894 174.700 -0.088 0.000 0.925 848 T CA -0.400 61.705 62.100 0.008 0.000 1.030 848 T CB 0.223 69.106 68.868 0.026 0.000 0.905 848 T HN 0.502 nan 8.240 nan 0.000 0.502 849 L N 2.324 123.426 121.223 -0.201 0.000 2.084 849 L HA 0.297 4.637 4.340 -0.000 0.000 0.202 849 L C -0.063 176.248 176.870 -0.932 0.000 1.074 849 L CA 0.968 55.406 54.840 -0.671 0.000 0.757 849 L CB 0.002 41.457 42.059 -1.007 0.000 0.918 849 L HN 0.481 nan 8.230 nan 0.000 0.444 850 F N -1.114 118.795 119.950 -0.069 0.000 2.613 850 F HA 0.591 5.118 4.527 -0.000 0.000 0.314 850 F C -0.376 175.507 175.800 0.139 0.000 1.075 850 F CA -0.879 57.019 58.000 -0.170 0.000 0.945 850 F CB 1.743 40.263 39.000 -0.799 0.000 1.310 850 F HN -0.308 nan 8.300 nan 0.000 0.467 851 I N 1.323 122.102 120.570 0.349 0.000 2.499 851 I HA 0.365 4.535 4.170 -0.000 0.000 0.288 851 I C -0.931 175.442 176.117 0.427 0.000 1.048 851 I CA -0.524 60.999 61.300 0.371 0.000 1.062 851 I CB 2.242 40.377 38.000 0.225 0.000 1.238 851 I HN 0.555 nan 8.210 nan 0.000 0.426 852 S N 7.093 123.130 115.700 0.561 0.000 2.669 852 S HA 0.514 4.984 4.470 -0.000 0.000 0.315 852 S C -0.606 174.246 174.600 0.420 0.000 1.106 852 S CA -0.718 57.813 58.200 0.552 0.000 1.107 852 S CB 0.433 64.130 63.200 0.828 0.000 0.990 852 S HN 0.540 nan 8.310 nan 0.000 0.471 853 R N 3.504 124.170 120.500 0.276 0.000 2.312 853 R HA 0.568 4.908 4.340 -0.000 0.000 0.311 853 R C -0.459 175.923 176.300 0.137 0.000 1.004 853 R CA -0.605 55.608 56.100 0.189 0.000 0.902 853 R CB 1.413 31.794 30.300 0.135 0.000 1.073 853 R HN 0.542 nan 8.270 nan 0.000 0.457 854 K N 0.533 121.003 120.400 0.117 0.000 2.480 854 K HA 0.469 4.789 4.320 -0.000 0.000 0.258 854 K C -0.981 175.607 176.600 -0.020 0.000 0.990 854 K CA -0.929 55.352 56.287 -0.010 0.000 0.857 854 K CB 2.556 35.020 32.500 -0.059 0.000 1.384 854 K HN 0.652 nan 8.250 nan 0.000 0.446 855 T N -1.165 113.298 114.554 -0.150 0.000 3.143 855 T HA 0.417 4.767 4.350 -0.000 0.000 0.312 855 T C -1.388 173.235 174.700 -0.129 0.000 0.986 855 T CA -0.795 61.271 62.100 -0.056 0.000 1.024 855 T CB 0.034 68.882 68.868 -0.033 0.000 1.030 855 T HN 0.337 nan 8.240 nan 0.000 0.448 856 Y N 1.787 122.048 120.300 -0.065 0.000 2.326 856 Y HA 0.650 5.200 4.550 -0.000 0.000 0.337 856 Y C 0.839 176.664 175.900 -0.124 0.000 1.023 856 Y CA -1.287 56.787 58.100 -0.044 0.000 1.143 856 Y CB 1.422 39.891 38.460 0.015 0.000 1.183 856 Y HN 0.677 nan 8.280 nan 0.000 0.485 857 R N 4.541 125.059 120.500 0.031 0.000 2.352 857 R HA 0.536 4.876 4.340 -0.000 0.000 0.304 857 R C -1.685 174.553 176.300 -0.103 0.000 1.104 857 R CA -0.300 55.770 56.100 -0.049 0.000 0.991 857 R CB 0.145 30.424 30.300 -0.035 0.000 1.140 857 R HN 0.775 nan 8.270 nan 0.000 0.540 858 I N 4.806 125.252 120.570 -0.207 0.000 2.304 858 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 858 I C -0.076 175.916 176.117 -0.208 0.000 1.018 858 I CA -0.581 60.509 61.300 -0.350 0.000 1.260 858 I CB 1.105 38.667 38.000 -0.730 0.000 1.390 858 I HN 0.643 nan 8.210 nan 0.000 0.475 859 D N 3.881 124.205 120.400 -0.126 0.000 2.592 859 D HA 0.353 4.992 4.640 -0.000 0.000 0.259 859 D C 1.362 177.657 176.300 -0.009 0.000 1.144 859 D CA -0.663 53.304 54.000 -0.055 0.000 1.080 859 D CB 0.678 41.461 40.800 -0.029 0.000 1.225 859 D HN 0.401 nan 8.370 nan 0.000 0.619 860 G N -0.833 107.974 108.800 0.011 0.000 2.469 860 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 860 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 860 G C 1.346 176.286 174.900 0.066 0.000 1.136 860 G CA 1.359 46.484 45.100 0.042 0.000 0.759 860 G HN 0.597 nan 8.290 nan 0.000 0.562 861 S N -0.245 115.490 115.700 0.057 0.000 2.603 861 S HA 0.319 4.788 4.470 -0.000 0.000 0.229 861 S C 1.778 176.443 174.600 0.109 0.000 0.972 861 S CA 0.951 59.196 58.200 0.074 0.000 0.935 861 S CB -0.321 62.915 63.200 0.061 0.000 0.769 861 S HN 1.641 nan 8.310 nan 0.000 0.536 862 G N 0.750 109.628 108.800 0.130 0.000 2.198 862 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 862 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 862 G C -0.365 174.684 174.900 0.248 0.000 1.042 862 G CA 0.026 45.275 45.100 0.249 0.000 0.791 862 G HN 0.641 nan 8.290 nan 0.000 0.502 863 Q N -0.812 119.058 119.800 0.116 0.000 2.316 863 Q HA 0.626 4.965 4.340 -0.000 0.000 0.264 863 Q C 0.123 176.143 176.000 0.033 0.000 0.987 863 Q CA -0.667 55.209 55.803 0.123 0.000 0.852 863 Q CB 2.000 30.802 28.738 0.107 0.000 1.287 863 Q HN 0.438 nan 8.270 nan 0.000 0.448 864 M N 2.134 121.790 119.600 0.093 0.000 2.113 864 M HA 0.480 4.960 4.480 -0.000 0.000 0.352 864 M C -1.132 175.256 176.300 0.146 0.000 1.170 864 M CA -0.359 54.964 55.300 0.039 0.000 1.053 864 M CB 0.711 33.359 32.600 0.080 0.000 1.601 864 M HN 0.731 nan 8.290 nan 0.000 0.459 865 A N 7.701 130.572 122.820 0.084 0.000 2.341 865 A HA 0.562 4.882 4.320 -0.000 0.000 0.326 865 A C -0.627 176.979 177.584 0.037 0.000 1.402 865 A CA -0.684 51.401 52.037 0.079 0.000 0.957 865 A CB -0.198 18.829 19.000 0.045 0.000 1.151 865 A HN 0.926 nan 8.150 nan 0.000 0.533 866 I N 2.235 122.824 120.570 0.031 0.000 2.325 866 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 866 I C 0.076 176.072 176.117 -0.201 0.000 1.019 866 I CA 0.053 61.262 61.300 -0.151 0.000 1.302 866 I CB 1.474 39.416 38.000 -0.097 0.000 1.401 866 I HN 0.401 nan 8.210 nan 0.000 0.485 867 T N 6.209 120.604 114.554 -0.265 0.000 2.809 867 T HA 0.441 4.791 4.350 -0.000 0.000 0.296 867 T C -0.131 174.368 174.700 -0.335 0.000 1.015 867 T CA -0.393 61.550 62.100 -0.261 0.000 0.954 867 T CB 1.237 70.044 68.868 -0.102 0.000 0.950 867 T HN 0.213 nan 8.240 nan 0.000 0.450 868 V N 3.574 123.154 119.914 -0.556 0.000 2.547 868 V HA 0.553 4.673 4.120 -0.000 0.000 0.299 868 V C -0.235 175.698 176.094 -0.268 0.000 1.040 868 V CA -0.834 61.174 62.300 -0.486 0.000 0.913 868 V CB 1.900 33.164 31.823 -0.931 0.000 0.992 868 V HN 0.797 nan 8.190 nan 0.000 0.449 869 D N 2.584 122.999 120.400 0.025 0.000 2.336 869 D HA 0.376 5.015 4.640 -0.000 0.000 0.248 869 D C -0.914 175.530 176.300 0.240 0.000 1.326 869 D CA -0.015 54.101 54.000 0.193 0.000 0.973 869 D CB 2.311 43.240 40.800 0.214 0.000 1.255 869 D HN 0.270 nan 8.370 nan 0.000 0.558 870 V N 1.588 121.687 119.914 0.308 0.000 2.716 870 V HA 0.389 4.509 4.120 -0.000 0.000 0.304 870 V C 0.453 176.701 176.094 0.258 0.000 1.053 870 V CA -0.585 61.902 62.300 0.312 0.000 0.984 870 V CB 2.380 34.421 31.823 0.362 0.000 1.021 870 V HN 0.313 nan 8.190 nan 0.000 0.467 871 E N 1.463 121.796 120.200 0.220 0.000 2.222 871 E HA 0.653 5.003 4.350 -0.000 0.000 0.267 871 E C -1.714 174.988 176.600 0.169 0.000 0.884 871 E CA -0.557 55.950 56.400 0.178 0.000 0.764 871 E CB 2.551 32.336 29.700 0.142 0.000 1.169 871 E HN 0.439 nan 8.360 nan 0.000 0.413 872 V N 1.881 121.895 119.914 0.166 0.000 2.531 872 V HA 0.392 4.512 4.120 -0.000 0.000 0.301 872 V C -0.037 176.104 176.094 0.079 0.000 1.034 872 V CA -1.002 61.387 62.300 0.148 0.000 0.865 872 V CB 1.585 33.549 31.823 0.234 0.000 0.995 872 V HN 0.848 nan 8.190 nan 0.000 0.424 873 A N 3.260 126.064 122.820 -0.027 0.000 2.566 873 A HA 0.243 4.563 4.320 -0.000 0.000 0.245 873 A C 1.326 178.935 177.584 0.041 0.000 1.056 873 A CA 0.657 52.684 52.037 -0.016 0.000 0.757 873 A CB 0.123 19.074 19.000 -0.082 0.000 0.979 873 A HN 1.441 nan 8.150 nan 0.000 0.508 874 S N 1.262 116.997 115.700 0.059 0.000 2.881 874 S HA 0.058 4.528 4.470 -0.000 0.000 0.228 874 S C 0.266 174.900 174.600 0.057 0.000 0.965 874 S CA 0.515 58.768 58.200 0.088 0.000 0.998 874 S CB -0.309 62.938 63.200 0.077 0.000 0.795 874 S HN 0.807 nan 8.310 nan 0.000 0.518 875 D N -1.326 119.089 120.400 0.026 0.000 2.740 875 D HA 0.094 4.734 4.640 -0.000 0.000 0.305 875 D C -0.407 175.887 176.300 -0.010 0.000 1.583 875 D CA -0.277 53.725 54.000 0.003 0.000 0.790 875 D CB -0.064 40.739 40.800 0.005 0.000 1.187 875 D HN 0.186 nan 8.370 nan 0.000 0.447 876 T N 1.852 116.406 114.554 -0.001 0.000 2.879 876 T HA 0.436 4.786 4.350 -0.000 0.000 0.290 876 T C -2.802 171.946 174.700 0.080 0.000 0.993 876 T CA -1.497 60.630 62.100 0.046 0.000 0.975 876 T CB 1.751 70.649 68.868 0.050 0.000 0.981 876 T HN -0.132 nan 8.240 nan 0.000 0.439 877 P HA -0.067 nan 4.420 nan 0.000 0.261 877 P C -0.362 177.203 177.300 0.443 0.000 1.158 877 P CA 0.088 63.280 63.100 0.153 0.000 0.758 877 P CB 0.221 32.031 31.700 0.183 0.000 0.763 878 H N 3.935 123.380 119.070 0.626 0.000 3.125 878 H HA 0.033 4.589 4.556 -0.000 0.000 0.310 878 H C -1.539 174.096 175.328 0.512 0.000 0.980 878 H CA -1.232 55.106 56.048 0.482 0.000 1.422 878 H CB -0.736 29.257 29.762 0.384 0.000 1.432 878 H HN 0.407 nan 8.280 nan 0.000 0.577 879 P HA -0.014 nan 4.420 nan 0.000 0.267 879 P C 0.365 177.552 177.300 -0.188 0.000 1.200 879 P CA -0.096 63.009 63.100 0.007 0.000 0.772 879 P CB 0.714 32.298 31.700 -0.194 0.000 0.855 880 A N 3.688 126.153 122.820 -0.591 0.000 2.067 880 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 880 A C 1.064 178.281 177.584 -0.612 0.000 1.158 880 A CA 1.195 52.851 52.037 -0.635 0.000 0.661 880 A CB -0.509 17.864 19.000 -1.045 0.000 0.801 880 A HN 0.771 nan 8.150 nan 0.000 0.452 881 R N -3.080 117.091 120.500 -0.548 0.000 2.741 881 R HA 0.701 5.041 4.340 -0.000 0.000 0.276 881 R C -1.623 174.452 176.300 -0.376 0.000 1.028 881 R CA -0.777 55.017 56.100 -0.510 0.000 0.865 881 R CB 0.634 30.571 30.300 -0.605 0.000 1.268 881 R HN -0.020 nan 8.270 nan 0.000 0.475 882 I N 1.082 121.466 120.570 -0.310 0.000 2.560 882 I HA 0.627 4.797 4.170 -0.000 0.000 0.278 882 I C -0.481 175.415 176.117 -0.368 0.000 1.089 882 I CA -0.324 60.832 61.300 -0.241 0.000 1.086 882 I CB 1.725 39.626 38.000 -0.164 0.000 1.202 882 I HN 0.973 nan 8.210 nan 0.000 0.471 883 G N 5.592 114.122 108.800 -0.450 0.000 2.772 883 G HA2 0.766 4.725 3.960 -0.000 0.000 0.284 883 G HA3 0.766 4.725 3.960 -0.000 0.000 0.284 883 G C -1.550 173.190 174.900 -0.267 0.000 1.217 883 G CA -0.521 44.337 45.100 -0.403 0.000 0.831 883 G HN 0.235 nan 8.290 nan 0.000 0.523 884 L N 0.753 121.868 121.223 -0.180 0.000 2.303 884 L HA 0.683 5.023 4.340 -0.000 0.000 0.256 884 L C -0.772 175.997 176.870 -0.170 0.000 1.034 884 L CA -1.111 53.651 54.840 -0.131 0.000 0.832 884 L CB 2.525 44.596 42.059 0.020 0.000 1.403 884 L HN 0.838 nan 8.230 nan 0.000 0.419 885 N N 0.314 118.945 118.700 -0.114 0.000 2.859 885 N HA 0.615 5.355 4.740 -0.000 0.000 0.250 885 N C -1.454 174.082 175.510 0.043 0.000 1.341 885 N CA -0.506 52.509 53.050 -0.059 0.000 0.881 885 N CB 2.366 40.815 38.487 -0.064 0.000 1.516 885 N HN 0.880 nan 8.380 nan 0.000 0.503 886 C N -1.190 118.179 119.300 0.115 0.000 3.303 886 C HA 0.510 4.970 4.460 -0.000 0.000 0.340 886 C C -1.068 173.861 174.990 -0.102 0.000 1.274 886 C CA -0.840 58.223 59.018 0.075 0.000 1.234 886 C CB 1.045 28.832 27.740 0.079 0.000 1.532 886 C HN 0.847 nan 8.230 nan 0.000 0.483 887 Q N 1.675 121.164 119.800 -0.518 0.000 2.390 887 Q HA 0.598 4.938 4.340 -0.000 0.000 0.249 887 Q C -0.574 175.148 176.000 -0.463 0.000 0.996 887 Q CA -0.374 54.822 55.803 -1.010 0.000 0.899 887 Q CB 0.625 28.327 28.738 -1.726 0.000 1.216 887 Q HN 0.747 nan 8.270 nan 0.000 0.465 888 L N 2.053 123.120 121.223 -0.260 0.000 2.473 888 L HA 0.150 4.490 4.340 -0.000 0.000 0.268 888 L C 1.168 177.982 176.870 -0.094 0.000 1.215 888 L CA -0.046 54.761 54.840 -0.054 0.000 0.823 888 L CB 0.472 42.608 42.059 0.128 0.000 1.099 888 L HN 0.765 nan 8.230 nan 0.000 0.483 889 A N 1.312 124.116 122.820 -0.027 0.000 1.975 889 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 889 A C 1.031 178.605 177.584 -0.018 0.000 1.170 889 A CA 0.317 52.321 52.037 -0.055 0.000 0.656 889 A CB -0.117 18.846 19.000 -0.062 0.000 0.821 889 A HN 0.786 nan 8.150 nan 0.000 0.449 890 Q N -1.221 118.602 119.800 0.038 0.000 2.500 890 Q HA 0.487 4.827 4.340 -0.000 0.000 0.215 890 Q C -0.766 175.254 176.000 0.034 0.000 1.062 890 Q CA 0.383 56.187 55.803 0.003 0.000 0.996 890 Q CB 0.927 29.637 28.738 -0.047 0.000 1.239 890 Q HN 0.080 nan 8.270 nan 0.000 0.578 891 V N 0.922 120.824 119.914 -0.019 0.000 2.763 891 V HA 0.493 4.613 4.120 -0.000 0.000 0.257 891 V C -0.819 175.266 176.094 -0.015 0.000 0.906 891 V CA -0.613 61.720 62.300 0.055 0.000 0.894 891 V CB 0.959 32.798 31.823 0.026 0.000 1.052 891 V HN 0.821 nan 8.190 nan 0.000 0.491 892 A N 2.146 124.878 122.820 -0.148 0.000 2.287 892 A HA 0.620 4.940 4.320 -0.000 0.000 0.273 892 A C 0.957 178.593 177.584 0.086 0.000 1.091 892 A CA -0.172 51.763 52.037 -0.170 0.000 0.817 892 A CB 0.619 19.302 19.000 -0.529 0.000 1.069 892 A HN 0.732 nan 8.150 nan 0.000 0.492 893 E N -0.258 119.977 120.200 0.058 0.000 2.230 893 E HA -0.006 4.343 4.350 -0.000 0.000 0.192 893 E C 0.144 176.830 176.600 0.143 0.000 0.987 893 E CA 0.514 56.970 56.400 0.092 0.000 0.841 893 E CB 0.197 29.927 29.700 0.050 0.000 0.783 893 E HN 0.437 nan 8.360 nan 0.000 0.481 894 R N 0.202 120.805 120.500 0.172 0.000 2.912 894 R HA 0.567 4.907 4.340 -0.000 0.000 0.262 894 R C -0.715 175.785 176.300 0.332 0.000 1.057 894 R CA -0.875 55.350 56.100 0.210 0.000 0.981 894 R CB 1.888 32.277 30.300 0.149 0.000 1.201 894 R HN -0.192 nan 8.270 nan 0.000 0.484 895 V N 1.505 121.612 119.914 0.323 0.000 2.623 895 V HA 0.369 4.489 4.120 -0.000 0.000 0.304 895 V C -0.522 175.844 176.094 0.452 0.000 1.054 895 V CA -0.959 61.569 62.300 0.380 0.000 0.882 895 V CB 2.088 34.067 31.823 0.260 0.000 1.002 895 V HN 0.654 nan 8.190 nan 0.000 0.424 896 N N 3.981 122.932 118.700 0.419 0.000 2.314 896 N HA 0.599 5.339 4.740 -0.000 0.000 0.294 896 N C -1.504 174.280 175.510 0.457 0.000 1.029 896 N CA -0.401 52.871 53.050 0.371 0.000 0.845 896 N CB 2.865 41.458 38.487 0.178 0.000 1.321 896 N HN 0.830 nan 8.380 nan 0.000 0.481 897 W N 3.240 124.594 121.300 0.089 0.000 3.213 897 W HA 0.537 5.197 4.660 -0.000 0.000 0.318 897 W C -2.159 174.351 176.519 -0.015 0.000 1.248 897 W CA -1.060 56.318 57.345 0.055 0.000 1.187 897 W CB 0.569 30.093 29.460 0.108 0.000 1.403 897 W HN 0.223 nan 8.180 nan 0.000 0.556 898 L N 4.676 125.868 121.223 -0.051 0.000 2.277 898 L HA 0.906 5.245 4.340 -0.000 0.000 0.284 898 L C 0.084 176.816 176.870 -0.231 0.000 1.028 898 L CA 0.514 55.135 54.840 -0.364 0.000 0.835 898 L CB 0.470 42.397 42.059 -0.221 0.000 1.215 898 L HN 0.997 nan 8.230 nan 0.000 0.425 899 G N 3.758 112.302 108.800 -0.425 0.000 2.356 899 G HA2 0.189 4.149 3.960 -0.000 0.000 0.281 899 G HA3 0.189 4.149 3.960 -0.000 0.000 0.281 899 G C -1.585 173.441 174.900 0.210 0.000 1.246 899 G CA -1.031 44.108 45.100 0.064 0.000 0.889 899 G HN 0.379 nan 8.290 nan 0.000 0.486 900 L N 1.485 122.931 121.223 0.372 0.000 2.361 900 L HA 0.584 4.924 4.340 -0.000 0.000 0.278 900 L C 1.041 178.040 176.870 0.215 0.000 1.113 900 L CA 0.737 55.736 54.840 0.266 0.000 0.849 900 L CB 0.423 42.571 42.059 0.149 0.000 1.155 900 L HN 1.070 nan 8.230 nan 0.000 0.452 901 G N 3.407 112.119 108.800 -0.147 0.000 2.570 901 G HA2 0.293 4.253 3.960 -0.000 0.000 0.310 901 G HA3 0.293 4.253 3.960 -0.000 0.000 0.310 901 G C -2.668 171.412 174.900 -1.365 0.000 1.266 901 G CA -0.228 44.417 45.100 -0.758 0.000 0.825 901 G HN 0.313 nan 8.290 nan 0.000 0.483 902 P HA 0.036 nan 4.420 nan 0.000 0.224 902 P C 0.446 177.540 177.300 -0.344 0.000 1.157 902 P CA 0.686 63.127 63.100 -1.099 0.000 0.799 902 P CB 0.459 31.650 31.700 -0.848 0.000 0.809 903 Q N 0.643 120.236 119.800 -0.344 0.000 2.396 903 Q HA 0.119 4.459 4.340 -0.000 0.000 0.221 903 Q C 0.482 176.362 176.000 -0.201 0.000 1.025 903 Q CA -0.458 55.219 55.803 -0.210 0.000 0.946 903 Q CB 0.534 29.174 28.738 -0.164 0.000 1.224 903 Q HN 0.162 nan 8.270 nan 0.000 0.539 904 E N 1.430 121.518 120.200 -0.187 0.000 2.529 904 E HA -0.095 4.255 4.350 -0.000 0.000 0.259 904 E C -1.168 175.357 176.600 -0.125 0.000 0.966 904 E CA 0.168 56.450 56.400 -0.198 0.000 0.937 904 E CB 0.245 29.871 29.700 -0.123 0.000 0.923 904 E HN 0.587 nan 8.360 nan 0.000 0.468 905 N N 2.912 121.483 118.700 -0.215 0.000 2.324 905 N HA 0.303 5.043 4.740 -0.000 0.000 0.285 905 N C -1.903 173.445 175.510 -0.270 0.000 1.076 905 N CA -0.674 52.307 53.050 -0.115 0.000 0.864 905 N CB 0.728 39.154 38.487 -0.102 0.000 1.632 905 N HN 0.251 nan 8.380 nan 0.000 0.478 906 Y N 0.465 120.692 120.300 -0.122 0.000 2.598 906 Y HA 0.498 5.048 4.550 -0.000 0.000 0.340 906 Y C -1.580 174.288 175.900 -0.053 0.000 1.038 906 Y CA -1.997 56.026 58.100 -0.128 0.000 1.100 906 Y CB 1.807 40.184 38.460 -0.138 0.000 1.281 906 Y HN 0.441 nan 8.280 nan 0.000 0.488 907 P HA -0.253 nan 4.420 nan 0.000 0.219 907 P C 0.612 177.981 177.300 0.116 0.000 1.161 907 P CA 2.480 65.725 63.100 0.241 0.000 0.909 907 P CB 0.170 32.109 31.700 0.399 0.000 0.793 908 D N -2.086 118.102 120.400 -0.353 0.000 2.319 908 D HA -0.033 4.607 4.640 -0.000 0.000 0.230 908 D C 0.605 176.757 176.300 -0.247 0.000 1.094 908 D CA 0.217 53.711 54.000 -0.843 0.000 0.856 908 D CB -0.214 39.797 40.800 -1.315 0.000 0.915 908 D HN 0.168 nan 8.370 nan 0.000 0.517 909 R N 0.896 121.371 120.500 -0.042 0.000 2.924 909 R HA 0.141 4.481 4.340 -0.000 0.000 0.233 909 R C -0.733 175.616 176.300 0.082 0.000 1.685 909 R CA -0.156 55.972 56.100 0.046 0.000 1.462 909 R CB 0.018 30.338 30.300 0.034 0.000 1.542 909 R HN 0.108 nan 8.270 nan 0.000 0.667 910 L N -1.486 119.798 121.223 0.101 0.000 3.520 910 L HA 0.320 4.660 4.340 -0.000 0.000 0.323 910 L C 1.357 178.299 176.870 0.121 0.000 1.246 910 L CA 0.220 55.116 54.840 0.093 0.000 1.085 910 L CB 0.041 42.148 42.059 0.080 0.000 1.477 910 L HN 0.130 nan 8.230 nan 0.000 0.624 911 T N -1.989 112.663 114.554 0.163 0.000 2.720 911 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 911 T C 1.891 176.658 174.700 0.111 0.000 1.037 911 T CA 1.690 63.908 62.100 0.198 0.000 1.144 911 T CB -0.594 68.442 68.868 0.281 0.000 0.864 911 T HN 0.404 nan 8.240 nan 0.000 0.444 912 A N 2.222 125.115 122.820 0.121 0.000 2.015 912 A HA 0.519 4.839 4.320 -0.000 0.000 0.219 912 A C 1.725 179.402 177.584 0.156 0.000 1.163 912 A CA 0.840 52.896 52.037 0.032 0.000 0.646 912 A CB -1.204 17.957 19.000 0.269 0.000 0.806 912 A HN 0.925 nan 8.150 nan 0.000 0.448 913 A N -1.204 121.659 122.820 0.072 0.000 2.445 913 A HA 0.422 4.742 4.320 -0.000 0.000 0.242 913 A C 0.136 177.758 177.584 0.062 0.000 1.075 913 A CA 0.043 52.082 52.037 0.004 0.000 0.777 913 A CB -0.189 18.800 19.000 -0.018 0.000 1.013 913 A HN 0.526 nan 8.150 nan 0.000 0.493 914 C N 0.529 119.865 119.300 0.059 0.000 2.529 914 C HA 0.586 5.046 4.460 -0.000 0.000 0.329 914 C C -0.160 174.954 174.990 0.207 0.000 1.194 914 C CA -0.477 58.630 59.018 0.149 0.000 1.779 914 C CB 0.910 28.747 27.740 0.163 0.000 2.322 914 C HN 0.783 nan 8.230 nan 0.000 0.500 915 F N 3.361 123.161 119.950 -0.249 0.000 2.424 915 F HA 0.535 5.062 4.527 -0.000 0.000 0.356 915 F C 0.299 175.742 175.800 -0.596 0.000 1.110 915 F CA 0.933 58.623 58.000 -0.516 0.000 1.161 915 F CB 0.016 38.220 39.000 -1.326 0.000 1.115 915 F HN 0.648 nan 8.300 nan 0.000 0.507 916 D N 3.148 122.790 120.400 -1.264 0.000 2.893 916 D HA 0.136 4.776 4.640 -0.000 0.000 0.346 916 D C -1.690 173.656 176.300 -1.591 0.000 1.402 916 D CA -0.726 52.445 54.000 -1.382 0.000 0.815 916 D CB 1.419 41.378 40.800 -1.401 0.000 1.403 916 D HN 0.451 nan 8.370 nan 0.000 0.484 917 R N 0.726 120.427 120.500 -1.332 0.000 2.202 917 R HA 0.491 4.831 4.340 -0.000 0.000 0.334 917 R C -1.448 174.129 176.300 -1.205 0.000 1.036 917 R CA -0.098 55.395 56.100 -1.012 0.000 0.878 917 R CB 0.158 30.102 30.300 -0.593 0.000 1.067 917 R HN 0.269 nan 8.270 nan 0.000 0.457 918 W N 2.982 123.754 121.300 -0.881 0.000 2.666 918 W HA 0.405 5.065 4.660 -0.000 0.000 0.334 918 W C -0.486 175.699 176.519 -0.557 0.000 1.051 918 W CA -0.745 56.043 57.345 -0.928 0.000 1.224 918 W CB 1.777 30.203 29.460 -1.724 0.000 1.405 918 W HN 0.358 nan 8.180 nan 0.000 0.513 919 D N 3.253 123.656 120.400 0.004 0.000 2.686 919 D HA 0.579 5.219 4.640 -0.000 0.000 0.249 919 D C -1.318 175.100 176.300 0.196 0.000 1.260 919 D CA -0.193 53.887 54.000 0.133 0.000 0.910 919 D CB 1.299 42.131 40.800 0.053 0.000 1.323 919 D HN 0.390 nan 8.370 nan 0.000 0.561 920 L N 3.244 124.641 121.223 0.291 0.000 2.409 920 L HA 0.543 4.883 4.340 -0.000 0.000 0.255 920 L C -2.394 174.591 176.870 0.191 0.000 1.027 920 L CA -1.990 52.985 54.840 0.226 0.000 0.834 920 L CB 3.025 45.242 42.059 0.265 0.000 1.426 920 L HN 0.169 nan 8.230 nan 0.000 0.411 921 P HA 0.043 nan 4.420 nan 0.000 0.275 921 P C 0.650 178.021 177.300 0.117 0.000 1.227 921 P CA -0.405 62.766 63.100 0.119 0.000 0.781 921 P CB 1.357 33.108 31.700 0.084 0.000 0.906 922 L N 4.120 125.422 121.223 0.131 0.000 2.123 922 L HA -0.315 4.025 4.340 -0.000 0.000 0.217 922 L C 2.359 179.264 176.870 0.058 0.000 1.081 922 L CA 2.955 57.852 54.840 0.095 0.000 0.772 922 L CB -1.556 40.577 42.059 0.124 0.000 0.890 922 L HN 0.506 nan 8.230 nan 0.000 0.437 923 S N -1.853 113.889 115.700 0.071 0.000 2.399 923 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 923 S C 1.560 176.220 174.600 0.101 0.000 1.022 923 S CA 1.103 59.358 58.200 0.092 0.000 0.983 923 S CB -0.765 62.483 63.200 0.081 0.000 0.803 923 S HN 0.551 nan 8.310 nan 0.000 0.480 924 D N 1.114 121.550 120.400 0.060 0.000 2.378 924 D HA 0.106 4.746 4.640 -0.000 0.000 0.227 924 D C 0.927 177.210 176.300 -0.028 0.000 1.012 924 D CA 0.495 54.506 54.000 0.018 0.000 0.905 924 D CB -0.104 40.715 40.800 0.031 0.000 0.895 924 D HN 0.392 nan 8.370 nan 0.000 0.532 925 M N -0.369 119.222 119.600 -0.016 0.000 2.453 925 M HA 0.094 4.574 4.480 -0.000 0.000 0.239 925 M C -0.296 175.979 176.300 -0.042 0.000 1.151 925 M CA -0.189 55.049 55.300 -0.103 0.000 0.989 925 M CB -0.669 31.861 32.600 -0.118 0.000 1.548 925 M HN -0.060 nan 8.290 nan 0.000 0.479 926 Y N 0.058 120.289 120.300 -0.115 0.000 2.373 926 Y HA 0.471 5.021 4.550 -0.000 0.000 0.336 926 Y C -0.803 175.003 175.900 -0.157 0.000 0.979 926 Y CA -0.947 57.097 58.100 -0.095 0.000 1.080 926 Y CB 1.285 39.756 38.460 0.018 0.000 1.190 926 Y HN -0.091 nan 8.280 nan 0.000 0.446 927 T N 9.161 123.134 114.554 -0.969 0.000 2.738 927 T HA 0.242 4.592 4.350 -0.000 0.000 0.298 927 T C -2.449 171.402 174.700 -1.415 0.000 0.962 927 T CA -1.449 60.019 62.100 -1.054 0.000 0.972 927 T CB 0.973 69.229 68.868 -1.019 0.000 0.928 927 T HN 0.486 nan 8.240 nan 0.000 0.474 928 P HA -0.014 nan 4.420 nan 0.000 0.262 928 P C -0.610 176.539 177.300 -0.252 0.000 1.647 928 P CA -0.307 62.414 63.100 -0.632 0.000 0.865 928 P CB -0.590 30.852 31.700 -0.430 0.000 1.834 929 Y N -0.185 120.035 120.300 -0.134 0.000 2.721 929 Y HA -0.094 4.456 4.550 -0.000 0.000 0.329 929 Y C 2.265 178.217 175.900 0.087 0.000 1.211 929 Y CA -0.241 57.872 58.100 0.021 0.000 1.512 929 Y CB -0.115 38.287 38.460 -0.097 0.000 1.249 929 Y HN -0.134 nan 8.280 nan 0.000 0.549 930 V N 3.749 123.894 119.914 0.384 0.000 2.317 930 V HA -0.319 3.801 4.120 -0.000 0.000 0.251 930 V C 0.746 177.031 176.094 0.317 0.000 1.065 930 V CA 1.618 64.114 62.300 0.327 0.000 1.049 930 V CB -0.669 31.379 31.823 0.375 0.000 0.651 930 V HN 0.602 nan 8.190 nan 0.000 0.450 931 F N 2.737 122.760 119.950 0.121 0.000 2.371 931 F HA 0.512 5.038 4.527 -0.000 0.000 0.363 931 F C -2.428 173.410 175.800 0.063 0.000 1.122 931 F CA -3.783 54.244 58.000 0.045 0.000 1.129 931 F CB 0.671 39.610 39.000 -0.101 0.000 1.173 931 F HN -0.012 nan 8.300 nan 0.000 0.489 932 P HA 0.194 nan 4.420 nan 0.000 0.266 932 P C -0.999 175.932 177.300 -0.615 0.000 1.195 932 P CA 0.343 63.186 63.100 -0.430 0.000 0.768 932 P CB 0.914 32.414 31.700 -0.333 0.000 0.838 933 S N 0.449 115.998 115.700 -0.252 0.000 2.656 933 S HA 0.388 4.858 4.470 -0.000 0.000 0.265 933 S C -0.973 173.611 174.600 -0.027 0.000 1.132 933 S CA -1.017 57.090 58.200 -0.154 0.000 0.819 933 S CB 0.422 63.563 63.200 -0.099 0.000 1.119 933 S HN 0.319 nan 8.310 nan 0.000 0.476 934 E N 1.268 121.472 120.200 0.006 0.000 2.529 934 E HA 0.360 4.710 4.350 -0.000 0.000 0.259 934 E C -0.135 176.523 176.600 0.096 0.000 0.966 934 E CA 0.968 57.400 56.400 0.054 0.000 0.937 934 E CB -0.266 29.497 29.700 0.105 0.000 0.923 934 E HN 0.815 nan 8.360 nan 0.000 0.468 935 N N 1.605 120.370 118.700 0.109 0.000 3.046 935 N HA 0.483 5.223 4.740 -0.000 0.000 0.243 935 N C 0.210 175.722 175.510 0.003 0.000 1.452 935 N CA -0.508 52.617 53.050 0.126 0.000 0.882 935 N CB 0.793 39.291 38.487 0.019 0.000 1.425 935 N HN 0.721 nan 8.380 nan 0.000 0.517 936 G N -1.394 107.364 108.800 -0.070 0.000 2.168 936 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.263 936 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.263 936 G C -0.192 174.419 174.900 -0.482 0.000 0.977 936 G CA 0.451 45.401 45.100 -0.251 0.000 0.659 936 G HN 0.751 nan 8.290 nan 0.000 0.533 937 L N 0.021 120.887 121.223 -0.596 0.000 2.506 937 L HA 0.643 4.983 4.340 -0.000 0.000 0.281 937 L C 0.598 176.879 176.870 -0.982 0.000 1.228 937 L CA 0.453 54.710 54.840 -0.972 0.000 0.850 937 L CB 0.522 41.668 42.059 -1.522 0.000 1.110 937 L HN 0.253 nan 8.230 nan 0.000 0.496 938 R N 2.631 122.498 120.500 -1.054 0.000 2.514 938 R HA 0.472 4.812 4.340 -0.000 0.000 0.296 938 R C -1.108 174.877 176.300 -0.525 0.000 1.012 938 R CA -0.267 55.344 56.100 -0.815 0.000 0.897 938 R CB 1.275 30.885 30.300 -1.151 0.000 1.184 938 R HN 0.729 nan 8.270 nan 0.000 0.440 939 C N 0.637 119.763 119.300 -0.290 0.000 2.325 939 C HA 0.760 5.219 4.460 -0.000 0.000 0.370 939 C C 1.253 176.236 174.990 -0.011 0.000 1.217 939 C CA -0.168 58.760 59.018 -0.150 0.000 2.254 939 C CB 1.244 28.918 27.740 -0.110 0.000 2.282 939 C HN 1.025 nan 8.230 nan 0.000 0.564 940 G N 2.036 110.830 108.800 -0.011 0.000 2.338 940 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.296 940 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.296 940 G C -0.143 174.820 174.900 0.106 0.000 1.040 940 G CA 0.369 45.501 45.100 0.054 0.000 1.004 940 G HN 0.839 nan 8.290 nan 0.000 0.509 941 T N 0.244 114.738 114.554 -0.100 0.000 2.767 941 T HA 0.528 4.878 4.350 -0.000 0.000 0.284 941 T C 1.315 175.769 174.700 -0.409 0.000 0.973 941 T CA -0.731 61.282 62.100 -0.145 0.000 0.996 941 T CB 1.466 70.226 68.868 -0.181 0.000 0.927 941 T HN 0.252 nan 8.240 nan 0.000 0.456 942 R N 1.547 122.020 120.500 -0.045 0.000 2.254 942 R HA 0.271 4.611 4.340 -0.000 0.000 0.193 942 R C 0.539 176.900 176.300 0.102 0.000 0.929 942 R CA 0.219 56.338 56.100 0.032 0.000 1.038 942 R CB 0.374 30.788 30.300 0.191 0.000 1.009 942 R HN 0.658 nan 8.270 nan 0.000 0.512 943 E N 0.800 121.067 120.200 0.112 0.000 2.287 943 E HA 0.272 4.622 4.350 -0.000 0.000 0.274 943 E C -1.770 174.982 176.600 0.254 0.000 0.896 943 E CA -0.641 55.883 56.400 0.206 0.000 0.788 943 E CB 1.427 31.211 29.700 0.141 0.000 1.244 943 E HN -0.112 nan 8.360 nan 0.000 0.408 944 L N 4.603 126.040 121.223 0.357 0.000 2.356 944 L HA 0.565 4.905 4.340 -0.000 0.000 0.277 944 L C -1.686 175.407 176.870 0.370 0.000 0.996 944 L CA -0.475 54.537 54.840 0.287 0.000 0.822 944 L CB 1.534 43.661 42.059 0.114 0.000 1.256 944 L HN 0.433 nan 8.230 nan 0.000 0.413 945 N N 4.942 123.828 118.700 0.310 0.000 2.442 945 N HA 0.326 5.066 4.740 -0.000 0.000 0.274 945 N C -1.938 173.812 175.510 0.399 0.000 1.002 945 N CA -0.255 52.964 53.050 0.283 0.000 0.910 945 N CB 1.950 40.544 38.487 0.178 0.000 1.244 945 N HN 0.553 nan 8.380 nan 0.000 0.492 946 Y N 1.469 121.932 120.300 0.271 0.000 2.332 946 Y HA 0.436 4.985 4.550 -0.000 0.000 0.325 946 Y C 0.735 176.758 175.900 0.204 0.000 1.054 946 Y CA 0.015 58.278 58.100 0.272 0.000 1.119 946 Y CB 0.767 39.466 38.460 0.398 0.000 1.168 946 Y HN 0.846 nan 8.280 nan 0.000 0.439 947 G N 6.856 115.493 108.800 -0.271 0.000 2.596 947 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.295 947 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.295 947 G C -1.561 173.217 174.900 -0.203 0.000 1.240 947 G CA 0.122 45.040 45.100 -0.303 0.000 0.985 947 G HN 0.571 nan 8.290 nan 0.000 0.555 948 P HA 0.042 nan 4.420 nan 0.000 0.229 948 P C 0.443 177.547 177.300 -0.328 0.000 1.160 948 P CA 1.063 63.966 63.100 -0.328 0.000 0.777 948 P CB -0.119 31.335 31.700 -0.408 0.000 0.814 949 H N 0.453 119.427 119.070 -0.160 0.000 2.607 949 H HA 0.393 4.949 4.556 -0.000 0.000 0.367 949 H C 0.256 175.292 175.328 -0.488 0.000 1.181 949 H CA 0.373 56.182 56.048 -0.398 0.000 1.402 949 H CB 0.918 30.203 29.762 -0.795 0.000 1.474 949 H HN 0.135 nan 8.280 nan 0.000 0.596 950 Q N 1.769 121.249 119.800 -0.532 0.000 2.281 950 Q HA 0.175 4.515 4.340 -0.000 0.000 0.263 950 Q C -1.772 173.981 176.000 -0.411 0.000 0.989 950 Q CA -0.568 55.063 55.803 -0.286 0.000 0.852 950 Q CB 1.972 30.679 28.738 -0.051 0.000 1.337 950 Q HN 0.595 nan 8.270 nan 0.000 0.418 951 W N 3.898 125.167 121.300 -0.053 0.000 2.632 951 W HA 0.585 5.245 4.660 -0.000 0.000 0.328 951 W C -0.129 176.469 176.519 0.132 0.000 1.044 951 W CA -0.680 56.591 57.345 -0.123 0.000 1.225 951 W CB 1.971 31.147 29.460 -0.472 0.000 1.396 951 W HN 0.484 nan 8.180 nan 0.000 0.499 952 R N 0.734 121.458 120.500 0.373 0.000 2.750 952 R HA 0.776 5.116 4.340 -0.000 0.000 0.281 952 R C 0.202 176.748 176.300 0.410 0.000 0.972 952 R CA -0.466 55.865 56.100 0.386 0.000 0.912 952 R CB 2.409 32.852 30.300 0.239 0.000 1.187 952 R HN 0.754 nan 8.270 nan 0.000 0.464 953 G N 0.722 109.756 108.800 0.390 0.000 2.553 953 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.106 953 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.106 953 G C -1.647 173.377 174.900 0.208 0.000 1.126 953 G CA -0.323 44.976 45.100 0.331 0.000 1.075 953 G HN 0.510 nan 8.290 nan 0.000 0.472 954 D N 0.039 120.560 120.400 0.201 0.000 2.978 954 D HA 0.534 5.174 4.640 -0.000 0.000 0.268 954 D C -0.459 175.842 176.300 0.002 0.000 1.252 954 D CA -0.488 53.528 54.000 0.027 0.000 0.771 954 D CB -0.131 40.711 40.800 0.070 0.000 1.361 954 D HN 0.498 nan 8.370 nan 0.000 0.558 955 F N -0.650 119.308 119.950 0.014 0.000 2.712 955 F HA 0.793 5.320 4.527 -0.000 0.000 0.367 955 F C -0.527 175.254 175.800 -0.032 0.000 1.132 955 F CA -0.915 57.044 58.000 -0.070 0.000 1.066 955 F CB 0.722 39.680 39.000 -0.071 0.000 1.416 955 F HN -0.209 nan 8.300 nan 0.000 0.515 956 Q N 1.186 121.094 119.800 0.181 0.000 2.351 956 Q HA 0.648 4.988 4.340 -0.000 0.000 0.273 956 Q C -1.260 174.873 176.000 0.221 0.000 1.077 956 Q CA -0.577 55.246 55.803 0.034 0.000 0.843 956 Q CB 2.699 31.350 28.738 -0.145 0.000 1.367 956 Q HN 0.883 nan 8.270 nan 0.000 0.449 957 F N -1.449 118.395 119.950 -0.177 0.000 2.741 957 F HA 0.682 5.209 4.527 -0.000 0.000 0.311 957 F C -1.953 173.630 175.800 -0.363 0.000 1.149 957 F CA -1.133 56.721 58.000 -0.243 0.000 0.930 957 F CB 1.343 40.232 39.000 -0.186 0.000 1.312 957 F HN 0.580 nan 8.300 nan 0.000 0.450 958 N N 1.822 120.337 118.700 -0.308 0.000 2.324 958 N HA 0.633 5.373 4.740 -0.000 0.000 0.285 958 N C -2.244 173.190 175.510 -0.126 0.000 1.076 958 N CA -0.668 52.166 53.050 -0.360 0.000 0.864 958 N CB 2.455 40.759 38.487 -0.305 0.000 1.632 958 N HN 1.115 nan 8.380 nan 0.000 0.478 959 I N 1.460 121.959 120.570 -0.119 0.000 2.512 959 I HA 0.708 4.878 4.170 -0.000 0.000 0.287 959 I C -1.116 174.919 176.117 -0.138 0.000 1.069 959 I CA -0.048 61.161 61.300 -0.152 0.000 1.056 959 I CB 1.137 38.974 38.000 -0.271 0.000 1.229 959 I HN 0.990 nan 8.210 nan 0.000 0.429 960 S N 6.512 122.162 115.700 -0.083 0.000 2.757 960 S HA 0.555 5.025 4.470 -0.000 0.000 0.285 960 S C -0.022 174.510 174.600 -0.112 0.000 1.196 960 S CA -0.950 57.203 58.200 -0.077 0.000 0.856 960 S CB 1.705 64.930 63.200 0.042 0.000 1.212 960 S HN 0.596 nan 8.310 nan 0.000 0.516 961 R N -0.196 120.091 120.500 -0.355 0.000 2.388 961 R HA 0.286 4.626 4.340 -0.000 0.000 0.247 961 R C -1.032 174.948 176.300 -0.533 0.000 0.931 961 R CA 0.245 56.074 56.100 -0.450 0.000 1.082 961 R CB -0.857 29.069 30.300 -0.623 0.000 1.135 961 R HN 0.621 nan 8.270 nan 0.000 0.525 962 Y N 0.004 120.285 120.300 -0.033 0.000 2.376 962 Y HA 0.246 4.796 4.550 -0.000 0.000 0.340 962 Y C 0.639 176.349 175.900 -0.318 0.000 0.965 962 Y CA -1.292 56.715 58.100 -0.155 0.000 1.078 962 Y CB 1.431 39.746 38.460 -0.241 0.000 1.193 962 Y HN -0.105 nan 8.280 nan 0.000 0.452 963 S N 1.755 117.158 115.700 -0.495 0.000 2.592 963 S HA 0.097 4.567 4.470 -0.000 0.000 0.271 963 S C 0.868 175.130 174.600 -0.564 0.000 1.326 963 S CA -0.800 56.715 58.200 -1.141 0.000 1.024 963 S CB 1.295 63.668 63.200 -1.379 0.000 0.921 963 S HN 0.702 nan 8.310 nan 0.000 0.527 964 Q N 1.074 120.548 119.800 -0.543 0.000 2.152 964 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 964 Q C 2.209 178.070 176.000 -0.233 0.000 0.985 964 Q CA 2.150 57.777 55.803 -0.292 0.000 0.863 964 Q CB -0.574 28.017 28.738 -0.245 0.000 0.904 964 Q HN 1.005 nan 8.270 nan 0.000 0.422 965 Q N 0.655 120.285 119.800 -0.283 0.000 2.020 965 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 965 Q C 2.173 178.089 176.000 -0.140 0.000 0.982 965 Q CA 1.864 57.563 55.803 -0.173 0.000 0.838 965 Q CB -0.118 28.527 28.738 -0.154 0.000 0.899 965 Q HN 0.420 nan 8.270 nan 0.000 0.423 966 Q N 0.113 119.817 119.800 -0.161 0.000 2.077 966 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 966 Q C 2.219 178.147 176.000 -0.120 0.000 0.989 966 Q CA 1.868 57.610 55.803 -0.101 0.000 0.853 966 Q CB -0.236 28.444 28.738 -0.097 0.000 0.907 966 Q HN 0.559 nan 8.270 nan 0.000 0.418 967 L N 0.413 121.543 121.223 -0.156 0.000 2.043 967 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 967 L C 2.709 179.469 176.870 -0.183 0.000 1.075 967 L CA 1.782 56.516 54.840 -0.177 0.000 0.752 967 L CB -0.521 41.447 42.059 -0.153 0.000 0.891 967 L HN 0.538 nan 8.230 nan 0.000 0.432 968 M N -2.217 117.299 119.600 -0.139 0.000 2.558 968 M HA -0.011 4.469 4.480 -0.000 0.000 0.255 968 M C 1.283 177.536 176.300 -0.079 0.000 1.113 968 M CA 1.372 56.602 55.300 -0.116 0.000 1.097 968 M CB -0.116 32.419 32.600 -0.109 0.000 1.426 968 M HN 0.100 nan 8.290 nan 0.000 0.488 969 E N 0.832 120.991 120.200 -0.069 0.000 2.460 969 E HA 0.127 4.477 4.350 -0.000 0.000 0.200 969 E C -0.241 176.356 176.600 -0.005 0.000 1.011 969 E CA 0.130 56.516 56.400 -0.024 0.000 0.912 969 E CB 0.661 30.350 29.700 -0.018 0.000 0.953 969 E HN 0.393 nan 8.360 nan 0.000 0.494 970 T N 0.538 115.066 114.554 -0.044 0.000 2.837 970 T HA 0.115 4.465 4.350 -0.000 0.000 0.285 970 T C 1.143 175.847 174.700 0.007 0.000 0.984 970 T CA -0.367 61.717 62.100 -0.026 0.000 1.049 970 T CB 1.668 70.489 68.868 -0.079 0.000 0.947 970 T HN 0.032 nan 8.240 nan 0.000 0.472 971 S N 1.543 117.348 115.700 0.175 0.000 2.470 971 S HA 0.103 4.573 4.470 -0.000 0.000 0.222 971 S C 0.246 175.092 174.600 0.409 0.000 1.024 971 S CA 0.124 58.564 58.200 0.400 0.000 0.931 971 S CB -0.167 63.370 63.200 0.561 0.000 0.791 971 S HN 0.727 nan 8.310 nan 0.000 0.513 972 H N 0.870 120.037 119.070 0.161 0.000 2.637 972 H HA 0.533 5.090 4.556 0.000 0.000 0.363 972 H C 0.924 176.316 175.328 0.108 0.000 1.131 972 H CA -0.863 55.331 56.048 0.244 0.000 1.183 972 H CB 1.394 31.359 29.762 0.339 0.000 1.637 972 H HN 0.163 nan 8.280 nan 0.000 0.531 973 R N 1.449 122.108 120.500 0.266 0.000 2.200 973 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 973 R C 0.903 177.269 176.300 0.110 0.000 1.127 973 R CA 1.762 57.937 56.100 0.126 0.000 0.989 973 R CB -0.354 30.034 30.300 0.146 0.000 0.869 973 R HN 0.742 nan 8.270 nan 0.000 0.459 974 H N 0.700 119.797 119.070 0.045 0.000 2.551 974 H HA 0.118 4.674 4.556 -0.000 0.000 0.266 974 H C 1.181 176.450 175.328 -0.098 0.000 0.977 974 H CA 0.295 56.326 56.048 -0.027 0.000 1.163 974 H CB 0.070 29.810 29.762 -0.036 0.000 1.381 974 H HN 0.301 nan 8.280 nan 0.000 0.581 975 L N 1.087 122.021 121.223 -0.482 0.000 2.667 975 L HA 0.283 4.623 4.340 -0.000 0.000 0.232 975 L C 0.269 177.051 176.870 -0.147 0.000 1.138 975 L CA -0.105 54.483 54.840 -0.421 0.000 0.921 975 L CB 0.284 42.072 42.059 -0.451 0.000 1.180 975 L HN 0.052 nan 8.230 nan 0.000 0.487 976 L N 1.817 122.970 121.223 -0.116 0.000 2.331 976 L HA 0.219 4.559 4.340 -0.000 0.000 0.278 976 L C 0.107 177.063 176.870 0.143 0.000 1.106 976 L CA -0.319 54.475 54.840 -0.077 0.000 0.824 976 L CB 0.531 42.313 42.059 -0.460 0.000 1.142 976 L HN 0.192 nan 8.230 nan 0.000 0.443 977 H N 2.589 121.733 119.070 0.122 0.000 2.495 977 H HA 0.605 5.161 4.556 0.000 0.000 0.348 977 H C -0.522 174.886 175.328 0.134 0.000 1.113 977 H CA -1.160 54.956 56.048 0.113 0.000 1.195 977 H CB 1.257 31.036 29.762 0.029 0.000 1.521 977 H HN 0.655 nan 8.280 nan 0.000 0.509 978 A N 3.444 126.248 122.820 -0.026 0.000 2.520 978 A HA 0.140 4.460 4.320 -0.000 0.000 0.235 978 A C 0.223 177.691 177.584 -0.195 0.000 1.065 978 A CA -0.088 51.776 52.037 -0.288 0.000 0.764 978 A CB 0.072 18.942 19.000 -0.218 0.000 1.002 978 A HN 0.880 nan 8.150 nan 0.000 0.502 979 E N 0.450 120.524 120.200 -0.210 0.000 2.264 979 E HA 0.293 4.643 4.350 -0.000 0.000 0.260 979 E C -0.709 175.851 176.600 -0.066 0.000 0.961 979 E CA -0.814 55.544 56.400 -0.070 0.000 0.834 979 E CB 1.063 30.796 29.700 0.055 0.000 1.230 979 E HN 0.758 nan 8.360 nan 0.000 0.412 980 E N 0.677 120.851 120.200 -0.044 0.000 2.415 980 E HA 0.209 4.559 4.350 -0.000 0.000 0.263 980 E C 0.354 176.862 176.600 -0.153 0.000 0.995 980 E CA 0.621 56.974 56.400 -0.078 0.000 0.915 980 E CB 0.462 30.123 29.700 -0.065 0.000 0.951 980 E HN 0.717 nan 8.360 nan 0.000 0.449 981 G N 3.026 111.754 108.800 -0.120 0.000 2.645 981 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.239 981 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.239 981 G C -0.509 174.312 174.900 -0.131 0.000 1.331 981 G CA -0.315 44.709 45.100 -0.128 0.000 0.890 981 G HN 0.524 nan 8.290 nan 0.000 0.572 982 T N 0.315 114.804 114.554 -0.108 0.000 2.840 982 T HA 0.493 4.843 4.350 -0.000 0.000 0.287 982 T C -0.535 174.075 174.700 -0.149 0.000 0.991 982 T CA -0.152 61.908 62.100 -0.067 0.000 0.964 982 T CB 1.226 70.169 68.868 0.126 0.000 0.954 982 T HN 0.557 nan 8.240 nan 0.000 0.438 983 W N 3.152 124.376 121.300 -0.126 0.000 2.304 983 W HA 0.518 5.178 4.660 -0.000 0.000 0.313 983 W C -0.100 176.303 176.519 -0.194 0.000 1.323 983 W CA -0.659 56.604 57.345 -0.136 0.000 1.223 983 W CB 0.536 29.921 29.460 -0.126 0.000 1.237 983 W HN 0.373 nan 8.180 nan 0.000 0.535 984 L N 5.793 127.040 121.223 0.040 0.000 2.305 984 L HA 0.463 4.803 4.340 -0.000 0.000 0.284 984 L C -0.870 175.904 176.870 -0.161 0.000 1.013 984 L CA -0.392 54.334 54.840 -0.190 0.000 0.819 984 L CB 0.742 42.540 42.059 -0.435 0.000 1.227 984 L HN 0.313 nan 8.230 nan 0.000 0.417 985 N N 6.845 125.433 118.700 -0.188 0.000 2.518 985 N HA 0.422 5.161 4.740 -0.000 0.000 0.254 985 N C -1.120 174.252 175.510 -0.230 0.000 0.979 985 N CA -0.169 52.771 53.050 -0.183 0.000 0.930 985 N CB 1.929 40.333 38.487 -0.138 0.000 1.152 985 N HN 0.559 nan 8.380 nan 0.000 0.505 986 I N 2.067 122.452 120.570 -0.308 0.000 2.330 986 I HA 0.186 4.356 4.170 -0.000 0.000 0.286 986 I C -0.421 175.538 176.117 -0.263 0.000 1.025 986 I CA -0.578 60.513 61.300 -0.348 0.000 1.197 986 I CB 1.003 38.619 38.000 -0.639 0.000 1.358 986 I HN 0.138 nan 8.210 nan 0.000 0.467 987 D N 4.901 125.192 120.400 -0.182 0.000 2.168 987 D HA 0.240 4.880 4.640 -0.000 0.000 0.246 987 D C 0.929 177.011 176.300 -0.364 0.000 1.050 987 D CA -0.205 53.639 54.000 -0.261 0.000 0.857 987 D CB 2.442 43.176 40.800 -0.109 0.000 1.169 987 D HN 0.672 nan 8.370 nan 0.000 0.453 988 G N 0.898 109.240 108.800 -0.764 0.000 2.539 988 G HA2 0.075 4.035 3.960 -0.000 0.000 0.215 988 G HA3 0.075 4.035 3.960 -0.000 0.000 0.215 988 G C 0.019 174.180 174.900 -1.231 0.000 1.141 988 G CA 0.249 44.740 45.100 -1.016 0.000 0.806 988 G HN 0.361 nan 8.290 nan 0.000 0.533 989 F N -1.509 118.278 119.950 -0.272 0.000 2.615 989 F HA 0.509 5.036 4.527 -0.000 0.000 0.312 989 F C -0.767 174.951 175.800 -0.138 0.000 1.119 989 F CA -1.243 56.675 58.000 -0.136 0.000 0.979 989 F CB 1.859 40.749 39.000 -0.184 0.000 1.266 989 F HN -0.004 nan 8.300 nan 0.000 0.444 990 H N 2.612 121.700 119.070 0.030 0.000 2.667 990 H HA 0.540 5.096 4.556 -0.000 0.000 0.353 990 H C -0.579 174.790 175.328 0.067 0.000 1.072 990 H CA -0.805 55.242 56.048 -0.002 0.000 1.214 990 H CB 1.704 31.451 29.762 -0.024 0.000 1.600 990 H HN 0.778 nan 8.280 nan 0.000 0.527 991 M N 3.470 123.018 119.600 -0.086 0.000 2.245 991 M HA 0.230 4.709 4.480 -0.000 0.000 0.330 991 M C 0.475 176.889 176.300 0.190 0.000 1.098 991 M CA 0.307 55.624 55.300 0.029 0.000 1.172 991 M CB 0.299 32.824 32.600 -0.124 0.000 1.467 991 M HN 0.857 nan 8.290 nan 0.000 0.454 992 G N 2.867 111.767 108.800 0.167 0.000 2.636 992 G HA2 0.305 4.265 3.960 -0.000 0.000 0.246 992 G HA3 0.305 4.265 3.960 -0.000 0.000 0.246 992 G C 0.641 175.531 174.900 -0.017 0.000 1.216 992 G CA -0.456 44.689 45.100 0.076 0.000 0.854 992 G HN 0.972 nan 8.290 nan 0.000 0.572 993 I N -1.057 119.452 120.570 -0.101 0.000 3.030 993 I HA 0.376 4.546 4.170 -0.000 0.000 0.270 993 I C 1.290 177.334 176.117 -0.121 0.000 1.211 993 I CA 0.470 61.668 61.300 -0.170 0.000 1.479 993 I CB -0.664 37.131 38.000 -0.341 0.000 1.105 993 I HN 0.920 nan 8.210 nan 0.000 0.447 994 G N 1.278 110.015 108.800 -0.105 0.000 2.697 994 G HA2 0.055 4.015 3.960 -0.000 0.000 0.240 994 G HA3 0.055 4.015 3.960 -0.000 0.000 0.240 994 G C 0.492 175.372 174.900 -0.033 0.000 1.346 994 G CA 0.027 45.099 45.100 -0.046 0.000 0.887 994 G HN 1.383 nan 8.290 nan 0.000 0.569 995 G N -2.209 106.591 108.800 0.000 0.000 2.834 995 G HA2 0.044 4.004 3.960 -0.000 0.000 0.217 995 G HA3 0.044 4.004 3.960 -0.000 0.000 0.217 995 G C 0.566 175.507 174.900 0.069 0.000 0.974 995 G CA 1.078 46.186 45.100 0.013 0.000 0.826 995 G HN 0.858 nan 8.290 nan 0.000 0.584 996 D N 1.168 121.623 120.400 0.091 0.000 2.265 996 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 996 D C 0.763 177.099 176.300 0.061 0.000 0.977 996 D CA 2.086 56.202 54.000 0.193 0.000 0.871 996 D CB 0.259 41.172 40.800 0.187 0.000 0.925 996 D HN 0.801 nan 8.370 nan 0.000 0.485 997 D N -3.535 116.704 120.400 -0.268 0.000 2.728 997 D HA 0.119 4.759 4.640 -0.000 0.000 0.249 997 D C -0.956 174.811 176.300 -0.888 0.000 1.225 997 D CA -0.665 52.743 54.000 -0.986 0.000 0.748 997 D CB 0.615 40.501 40.800 -1.524 0.000 1.326 997 D HN -0.324 nan 8.370 nan 0.000 0.426 998 S N 0.344 115.381 115.700 -1.104 0.000 2.537 998 S HA 0.265 4.735 4.470 -0.000 0.000 0.246 998 S C -0.483 174.164 174.600 0.079 0.000 1.036 998 S CA -0.622 57.412 58.200 -0.278 0.000 1.041 998 S CB -0.628 62.608 63.200 0.059 0.000 0.799 998 S HN 0.580 nan 8.310 nan 0.000 0.456 999 W N 0.965 122.219 121.300 -0.076 0.000 2.252 999 W HA 0.580 5.240 4.660 -0.000 0.000 0.338 999 W C -0.061 176.416 176.519 -0.070 0.000 0.914 999 W CA -0.632 56.670 57.345 -0.072 0.000 1.754 999 W CB -0.539 28.805 29.460 -0.194 0.000 1.135 999 W HN 0.184 nan 8.180 nan 0.000 0.531 1000 S N -1.391 114.235 115.700 -0.123 0.000 2.580 1000 S HA 0.459 4.929 4.470 -0.000 0.000 0.281 1000 S C -3.176 171.370 174.600 -0.090 0.000 1.129 1000 S CA -1.344 56.806 58.200 -0.084 0.000 0.862 1000 S CB 1.243 64.410 63.200 -0.055 0.000 1.090 1000 S HN -0.200 nan 8.310 nan 0.000 0.451 1001 P HA 0.086 nan 4.420 nan 0.000 0.257 1001 P C 0.374 177.706 177.300 0.054 0.000 1.162 1001 P CA 0.387 63.482 63.100 -0.008 0.000 0.762 1001 P CB 0.308 31.880 31.700 -0.213 0.000 0.753 1002 S N 0.839 116.612 115.700 0.121 0.000 2.846 1002 S HA 0.181 4.651 4.470 -0.000 0.000 0.249 1002 S C 0.109 174.779 174.600 0.116 0.000 1.028 1002 S CA -0.409 57.832 58.200 0.068 0.000 1.043 1002 S CB -0.217 62.968 63.200 -0.026 0.000 0.990 1002 S HN 0.116 nan 8.310 nan 0.000 0.564 1003 V N 2.645 122.685 119.914 0.210 0.000 2.385 1003 V HA 0.416 4.536 4.120 -0.000 0.000 0.269 1003 V C 0.715 176.945 176.094 0.228 0.000 1.043 1003 V CA -0.412 61.991 62.300 0.172 0.000 0.906 1003 V CB 1.120 33.004 31.823 0.101 0.000 0.995 1003 V HN 0.529 nan 8.190 nan 0.000 0.467 1004 S N 4.122 119.953 115.700 0.219 0.000 2.558 1004 S HA 0.210 4.680 4.470 -0.000 0.000 0.288 1004 S C 1.578 176.339 174.600 0.268 0.000 1.318 1004 S CA 0.151 58.500 58.200 0.248 0.000 1.056 1004 S CB 0.983 64.374 63.200 0.318 0.000 0.853 1004 S HN 1.004 nan 8.310 nan 0.000 0.505 1005 A N 4.257 127.186 122.820 0.181 0.000 1.903 1005 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 1005 A C 2.030 179.657 177.584 0.071 0.000 1.191 1005 A CA 1.954 54.071 52.037 0.133 0.000 0.638 1005 A CB -0.753 18.299 19.000 0.087 0.000 0.823 1005 A HN 0.986 nan 8.150 nan 0.000 0.451 1006 E N -1.056 119.150 120.200 0.010 0.000 2.463 1006 E HA -0.154 4.196 4.350 -0.000 0.000 0.201 1006 E C 0.465 176.878 176.600 -0.313 0.000 1.045 1006 E CA 0.841 57.137 56.400 -0.174 0.000 0.872 1006 E CB -0.397 29.128 29.700 -0.292 0.000 0.797 1006 E HN 0.639 nan 8.360 nan 0.000 0.538 1007 F N 1.033 121.022 119.950 0.065 0.000 2.668 1007 F HA 0.308 4.835 4.527 0.000 0.000 0.301 1007 F C 0.474 176.301 175.800 0.045 0.000 1.106 1007 F CA -0.360 57.682 58.000 0.070 0.000 1.289 1007 F CB 0.601 39.645 39.000 0.073 0.000 1.006 1007 F HN -0.176 nan 8.300 nan 0.000 0.535 1008 Q N 1.190 121.074 119.800 0.140 0.000 2.325 1008 Q HA 0.400 4.740 4.340 -0.000 0.000 0.262 1008 Q C -0.225 175.776 176.000 0.002 0.000 0.968 1008 Q CA -0.529 55.315 55.803 0.067 0.000 0.877 1008 Q CB 1.906 30.707 28.738 0.105 0.000 1.253 1008 Q HN 0.236 nan 8.270 nan 0.000 0.448 1009 L N 2.792 124.030 121.223 0.025 0.000 2.583 1009 L HA -0.024 4.316 4.340 -0.000 0.000 0.280 1009 L C 0.828 177.743 176.870 0.076 0.000 1.261 1009 L CA 0.196 55.052 54.840 0.026 0.000 1.164 1009 L CB -0.632 41.310 42.059 -0.195 0.000 1.402 1009 L HN 0.714 nan 8.230 nan 0.000 0.443 1010 S N -0.635 115.069 115.700 0.008 0.000 2.603 1010 S HA 0.129 4.599 4.470 -0.000 0.000 0.232 1010 S C 1.798 176.441 174.600 0.071 0.000 1.016 1010 S CA 0.192 58.306 58.200 -0.143 0.000 0.976 1010 S CB 0.645 63.467 63.200 -0.631 0.000 0.921 1010 S HN 0.523 nan 8.310 nan 0.000 0.516 1011 A N 1.792 124.647 122.820 0.058 0.000 2.093 1011 A HA 0.297 4.617 4.320 -0.000 0.000 0.222 1011 A C 2.210 179.707 177.584 -0.144 0.000 1.162 1011 A CA 1.851 53.751 52.037 -0.229 0.000 0.655 1011 A CB -1.483 17.042 19.000 -0.792 0.000 0.805 1011 A HN 1.600 nan 8.150 nan 0.000 0.461 1012 G N -1.658 107.200 108.800 0.097 0.000 2.640 1012 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.226 1012 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.226 1012 G C 0.488 175.455 174.900 0.112 0.000 1.222 1012 G CA 0.485 45.658 45.100 0.121 0.000 0.729 1012 G HN 0.716 nan 8.290 nan 0.000 0.516 1013 R N -0.064 120.394 120.500 -0.071 0.000 2.439 1013 R HA 0.657 4.997 4.340 -0.000 0.000 0.310 1013 R C -1.356 174.802 176.300 -0.238 0.000 0.955 1013 R CA -0.535 55.550 56.100 -0.026 0.000 0.853 1013 R CB 1.243 31.527 30.300 -0.026 0.000 1.171 1013 R HN 0.274 nan 8.270 nan 0.000 0.449 1014 Y N 0.305 120.586 120.300 -0.032 0.000 2.562 1014 Y HA 0.411 4.961 4.550 0.000 0.000 0.343 1014 Y C -0.268 175.761 175.900 0.214 0.000 1.025 1014 Y CA -0.813 57.212 58.100 -0.126 0.000 1.082 1014 Y CB 2.041 40.218 38.460 -0.472 0.000 1.264 1014 Y HN 0.556 nan 8.280 nan 0.000 0.478 1015 H N 1.560 120.887 119.070 0.427 0.000 3.042 1015 H HA 0.515 5.071 4.556 -0.000 0.000 0.345 1015 H C -1.998 173.730 175.328 0.667 0.000 1.052 1015 H CA -0.783 55.537 56.048 0.454 0.000 1.311 1015 H CB 0.891 30.792 29.762 0.232 0.000 1.810 1015 H HN 0.521 nan 8.280 nan 0.000 0.505 1016 Y N 1.907 122.155 120.300 -0.087 0.000 2.562 1016 Y HA 0.493 5.043 4.550 -0.000 0.000 0.345 1016 Y C -1.732 174.033 175.900 -0.224 0.000 1.045 1016 Y CA -1.241 56.827 58.100 -0.055 0.000 1.028 1016 Y CB 1.436 39.920 38.460 0.040 0.000 1.297 1016 Y HN 0.687 nan 8.280 nan 0.000 0.463 1017 Q N 3.120 122.906 119.800 -0.023 0.000 2.323 1017 Q HA 0.766 5.106 4.340 -0.000 0.000 0.271 1017 Q C -1.873 174.184 176.000 0.096 0.000 1.048 1017 Q CA -0.932 54.835 55.803 -0.060 0.000 0.792 1017 Q CB 3.102 31.839 28.738 -0.003 0.000 1.280 1017 Q HN 0.835 nan 8.270 nan 0.000 0.441 1018 L N 1.498 122.761 121.223 0.067 0.000 2.341 1018 L HA 0.717 5.056 4.340 -0.000 0.000 0.267 1018 L C -0.882 176.086 176.870 0.162 0.000 1.009 1018 L CA -1.341 53.583 54.840 0.138 0.000 0.819 1018 L CB 2.566 44.685 42.059 0.100 0.000 1.323 1018 L HN 0.458 nan 8.230 nan 0.000 0.425 1019 V N 1.222 121.262 119.914 0.209 0.000 2.380 1019 V HA 0.300 4.420 4.120 -0.000 0.000 0.286 1019 V C -1.050 175.207 176.094 0.272 0.000 1.015 1019 V CA -0.454 61.978 62.300 0.220 0.000 0.834 1019 V CB 1.741 33.670 31.823 0.177 0.000 1.009 1019 V HN 0.555 nan 8.190 nan 0.000 0.428 1020 W N 6.717 128.087 121.300 0.118 0.000 2.417 1020 W HA 0.711 5.371 4.660 -0.000 0.000 0.317 1020 W C -0.045 176.497 176.519 0.039 0.000 1.121 1020 W CA -0.841 56.521 57.345 0.028 0.000 1.208 1020 W CB 1.490 31.030 29.460 0.134 0.000 1.253 1020 W HN 0.853 nan 8.180 nan 0.000 0.533 1021 C N 3.241 122.826 119.300 0.474 0.000 3.249 1021 C HA 0.505 4.965 4.460 -0.000 0.000 0.350 1021 C C -0.903 174.189 174.990 0.170 0.000 1.431 1021 C CA -0.948 58.239 59.018 0.281 0.000 1.209 1021 C CB 1.438 29.288 27.740 0.184 0.000 1.546 1021 C HN 0.708 nan 8.230 nan 0.000 0.450 1022 Q N 1.708 121.561 119.800 0.088 0.000 2.314 1022 Q HA 0.501 4.841 4.340 -0.000 0.000 0.259 1022 Q C 0.080 176.075 176.000 -0.008 0.000 0.951 1022 Q CA -0.289 55.511 55.803 -0.005 0.000 0.909 1022 Q CB 1.099 29.814 28.738 -0.039 0.000 1.236 1022 Q HN 0.792 nan 8.270 nan 0.000 0.444 1023 K N 0.000 120.378 120.400 -0.037 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 1023 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543