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 1px4_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP 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 IAVSEATRID 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 0.000 176.080 176.300 -0.366 0.000 0.893 13 R CA 0.000 55.963 56.100 -0.228 0.000 0.921 13 R CB 0.000 30.175 30.300 -0.208 0.000 0.687 14 R N 1.283 121.432 120.500 -0.584 0.000 3.333 14 R HA -0.167 4.189 4.340 0.026 0.000 0.256 14 R C -0.418 175.309 176.300 -0.956 0.000 1.010 14 R CA 0.808 56.132 56.100 -1.293 0.000 0.680 14 R CB -1.241 28.529 30.300 -0.884 0.000 1.102 14 R HN 0.299 nan 8.270 nan 0.000 0.440 15 D N -0.221 119.823 120.400 -0.594 0.000 2.265 15 D HA -0.179 4.476 4.640 0.026 0.000 0.208 15 D C 1.573 177.776 176.300 -0.163 0.000 0.977 15 D CA 1.657 55.413 54.000 -0.406 0.000 0.871 15 D CB -0.142 40.247 40.800 -0.685 0.000 0.925 15 D HN 0.720 nan 8.370 nan 0.000 0.485 16 W N 1.168 122.475 121.300 0.013 0.000 3.292 16 W HA 0.217 4.892 4.660 0.025 0.000 0.263 16 W C 0.378 176.996 176.519 0.164 0.000 1.318 16 W CA -0.326 57.134 57.345 0.192 0.000 1.663 16 W CB -0.205 29.417 29.460 0.269 0.000 1.114 16 W HN -0.203 nan 8.180 nan 0.000 0.706 17 E N 1.441 121.519 120.200 -0.203 0.000 3.575 17 E HA 0.059 4.424 4.350 0.026 0.000 0.201 17 E C -0.808 175.662 176.600 -0.216 0.000 0.999 17 E CA -0.218 56.106 56.400 -0.126 0.000 1.315 17 E CB -0.177 29.446 29.700 -0.129 0.000 1.146 17 E HN 0.034 nan 8.360 nan 0.000 0.453 18 N N 1.015 119.611 118.700 -0.174 0.000 2.699 18 N HA 0.124 4.879 4.740 0.026 0.000 0.271 18 N C -2.473 172.895 175.510 -0.236 0.000 1.216 18 N CA -1.707 51.202 53.050 -0.236 0.000 0.844 18 N CB 1.417 39.778 38.487 -0.210 0.000 1.462 18 N HN -0.161 nan 8.380 nan 0.000 0.555 19 P HA 0.068 nan 4.420 nan 0.000 0.231 19 P C 1.082 178.142 177.300 -0.399 0.000 1.158 19 P CA 0.691 63.454 63.100 -0.562 0.000 0.763 19 P CB 0.108 30.976 31.700 -1.388 0.000 0.805 20 G N -0.801 107.813 108.800 -0.311 0.000 2.813 20 G HA2 0.084 4.059 3.960 0.026 0.000 0.209 20 G HA3 0.084 4.059 3.960 0.026 0.000 0.209 20 G C 0.180 175.003 174.900 -0.128 0.000 1.150 20 G CA 0.165 45.136 45.100 -0.216 0.000 0.785 20 G HN 0.203 nan 8.290 nan 0.000 0.535 21 V N 1.668 121.522 119.914 -0.100 0.000 2.325 21 V HA 0.274 4.410 4.120 0.026 0.000 0.280 21 V C 0.801 176.950 176.094 0.093 0.000 1.016 21 V CA 0.050 62.343 62.300 -0.012 0.000 0.818 21 V CB 1.198 32.997 31.823 -0.040 0.000 1.019 21 V HN 0.313 nan 8.190 nan 0.000 0.434 22 T N 0.578 115.177 114.554 0.076 0.000 3.054 22 T HA 0.384 4.749 4.350 0.026 0.000 0.255 22 T C 0.240 174.986 174.700 0.077 0.000 1.035 22 T CA 0.080 62.232 62.100 0.086 0.000 0.941 22 T CB 0.264 69.135 68.868 0.006 0.000 1.026 22 T HN 0.698 nan 8.240 nan 0.000 0.533 23 Q N 0.160 120.054 119.800 0.157 0.000 2.776 23 Q HA 0.675 5.030 4.340 0.026 0.000 0.289 23 Q C -2.285 173.855 176.000 0.232 0.000 0.912 23 Q CA -1.068 54.814 55.803 0.132 0.000 0.789 23 Q CB 0.785 29.519 28.738 -0.006 0.000 1.498 23 Q HN 0.215 nan 8.270 nan 0.000 0.408 24 L N 1.522 122.906 121.223 0.269 0.000 2.464 24 L HA 0.612 4.967 4.340 0.026 0.000 0.266 24 L C -0.620 176.380 176.870 0.216 0.000 0.965 24 L CA -0.898 54.103 54.840 0.270 0.000 0.833 24 L CB 2.017 44.347 42.059 0.452 0.000 1.296 24 L HN 0.850 nan 8.230 nan 0.000 0.405 25 N N 0.729 119.522 118.700 0.155 0.000 2.753 25 N HA -0.209 4.546 4.740 0.026 0.000 0.251 25 N C 0.175 175.762 175.510 0.128 0.000 1.097 25 N CA 0.817 53.946 53.050 0.132 0.000 0.786 25 N CB -0.804 37.724 38.487 0.068 0.000 1.137 25 N HN 0.655 nan 8.380 nan 0.000 0.566 26 R N 0.799 121.297 120.500 -0.003 0.000 2.490 26 R HA 0.394 4.750 4.340 0.026 0.000 0.280 26 R C 0.502 176.656 176.300 -0.243 0.000 1.077 26 R CA -0.315 55.564 56.100 -0.368 0.000 1.065 26 R CB 0.531 30.621 30.300 -0.350 0.000 1.003 26 R HN 0.124 nan 8.270 nan 0.000 0.470 27 L N 2.993 124.035 121.223 -0.302 0.000 2.453 27 L HA 0.329 4.685 4.340 0.026 0.000 0.261 27 L C 0.669 177.484 176.870 -0.091 0.000 1.179 27 L CA -0.565 54.201 54.840 -0.124 0.000 0.813 27 L CB 0.880 42.902 42.059 -0.060 0.000 1.110 27 L HN 0.762 nan 8.230 nan 0.000 0.466 28 A N 1.402 124.211 122.820 -0.018 0.000 2.507 28 A HA 0.463 4.798 4.320 0.026 0.000 0.235 28 A C 0.333 177.921 177.584 0.007 0.000 1.070 28 A CA 0.146 52.181 52.037 -0.003 0.000 0.768 28 A CB 0.068 19.093 19.000 0.041 0.000 1.011 28 A HN 0.807 nan 8.150 nan 0.000 0.502 29 A N 1.037 123.818 122.820 -0.064 0.000 2.287 29 A HA 0.730 5.065 4.320 0.026 0.000 0.273 29 A C 0.052 177.550 177.584 -0.143 0.000 1.091 29 A CA 0.441 52.365 52.037 -0.188 0.000 0.817 29 A CB 0.055 18.939 19.000 -0.194 0.000 1.069 29 A HN 2.069 nan 8.150 nan 0.000 0.492 30 H N -2.735 116.188 119.070 -0.246 0.000 2.935 30 H HA 0.584 5.155 4.556 0.026 0.000 0.297 30 H C -3.442 171.604 175.328 -0.471 0.000 1.423 30 H CA -1.632 54.209 56.048 -0.345 0.000 1.161 30 H CB -0.005 29.458 29.762 -0.497 0.000 1.841 30 H HN 0.392 nan 8.280 nan 0.000 0.506 31 P HA 0.226 nan 4.420 nan 0.000 0.274 31 P C -2.587 174.558 177.300 -0.257 0.000 1.256 31 P CA -1.447 61.453 63.100 -0.333 0.000 0.795 31 P CB -0.328 31.095 31.700 -0.462 0.000 1.038 32 P HA 0.036 nan 4.420 nan 0.000 0.261 32 P C -0.759 176.724 177.300 0.306 0.000 1.183 32 P CA 1.162 64.295 63.100 0.054 0.000 0.761 32 P CB -0.129 31.642 31.700 0.118 0.000 0.785 33 F N 1.202 121.263 119.950 0.185 0.000 2.598 33 F HA 0.621 5.163 4.527 0.026 0.000 0.327 33 F C 0.965 176.702 175.800 -0.105 0.000 1.057 33 F CA -1.070 56.979 58.000 0.081 0.000 0.957 33 F CB 2.188 41.192 39.000 0.007 0.000 1.278 33 F HN 0.203 nan 8.300 nan 0.000 0.484 34 A N 0.171 122.929 122.820 -0.103 0.000 2.664 34 A HA 0.245 4.580 4.320 0.026 0.000 0.222 34 A C 0.526 177.829 177.584 -0.468 0.000 1.320 34 A CA 0.390 52.137 52.037 -0.484 0.000 1.029 34 A CB -0.123 18.117 19.000 -1.267 0.000 1.318 34 A HN 0.742 nan 8.150 nan 0.000 0.589 35 S N 0.653 116.187 115.700 -0.277 0.000 3.405 35 S HA -0.150 4.335 4.470 0.026 0.000 0.373 35 S C -0.001 174.546 174.600 -0.088 0.000 0.939 35 S CA 0.406 58.502 58.200 -0.173 0.000 1.295 35 S CB -1.502 61.593 63.200 -0.175 0.000 0.919 35 S HN 0.456 nan 8.310 nan 0.000 0.535 36 W N 2.179 123.460 121.300 -0.032 0.000 2.158 36 W HA 0.241 4.916 4.660 0.025 0.000 0.339 36 W C 1.347 177.846 176.519 -0.033 0.000 1.294 36 W CA -0.562 56.770 57.345 -0.020 0.000 1.231 36 W CB 0.283 29.732 29.460 -0.020 0.000 1.143 36 W HN 0.366 nan 8.180 nan 0.000 0.571 37 R N 1.945 122.579 120.500 0.223 0.000 2.577 37 R HA 0.088 4.443 4.340 0.026 0.000 0.344 37 R C -0.100 176.257 176.300 0.094 0.000 1.037 37 R CA -0.132 56.036 56.100 0.114 0.000 1.102 37 R CB -0.179 30.159 30.300 0.063 0.000 1.313 37 R HN 0.364 nan 8.270 nan 0.000 0.561 38 N N 0.093 118.860 118.700 0.113 0.000 2.454 38 N HA 0.111 4.866 4.740 0.026 0.000 0.291 38 N C -0.173 175.305 175.510 -0.053 0.000 1.079 38 N CA -0.013 53.053 53.050 0.027 0.000 0.893 38 N CB 1.829 40.335 38.487 0.033 0.000 1.512 38 N HN -0.247 nan 8.380 nan 0.000 0.497 39 S N 2.311 117.960 115.700 -0.085 0.000 2.402 39 S HA -0.144 4.342 4.470 0.026 0.000 0.229 39 S C 1.419 175.853 174.600 -0.277 0.000 1.021 39 S CA 0.931 59.038 58.200 -0.156 0.000 0.974 39 S CB 0.016 63.158 63.200 -0.097 0.000 0.800 39 S HN 0.757 nan 8.310 nan 0.000 0.484 40 E N 1.959 122.017 120.200 -0.237 0.000 2.077 40 E HA -0.167 4.198 4.350 0.026 0.000 0.193 40 E C 1.766 178.141 176.600 -0.375 0.000 0.989 40 E CA 1.441 57.662 56.400 -0.298 0.000 0.800 40 E CB -0.248 29.334 29.700 -0.196 0.000 0.746 40 E HN 0.590 nan 8.360 nan 0.000 0.452 41 E N -0.214 119.769 120.200 -0.361 0.000 2.077 41 E HA -0.168 4.197 4.350 0.026 0.000 0.193 41 E C 2.035 178.028 176.600 -1.011 0.000 0.989 41 E CA 0.996 57.122 56.400 -0.457 0.000 0.800 41 E CB -0.228 29.333 29.700 -0.232 0.000 0.746 41 E HN 0.404 nan 8.360 nan 0.000 0.452 42 A N 1.448 123.477 122.820 -1.318 0.000 1.933 42 A HA -0.206 4.130 4.320 0.026 0.000 0.218 42 A C 2.084 179.084 177.584 -0.972 0.000 1.175 42 A CA 1.430 52.372 52.037 -1.826 0.000 0.628 42 A CB -0.436 17.979 19.000 -0.976 0.000 0.814 42 A HN 0.078 nan 8.150 nan 0.000 0.444 43 R N -0.221 119.877 120.500 -0.671 0.000 2.083 43 R HA -0.141 4.215 4.340 0.026 0.000 0.237 43 R C 1.868 177.903 176.300 -0.441 0.000 1.137 43 R CA 2.089 57.842 56.100 -0.579 0.000 0.951 43 R CB -0.412 29.423 30.300 -0.775 0.000 0.851 43 R HN 0.621 nan 8.270 nan 0.000 0.434 44 T N -2.740 111.570 114.554 -0.408 0.000 3.122 44 T HA 0.082 4.447 4.350 0.026 0.000 0.250 44 T C 0.097 174.706 174.700 -0.153 0.000 1.067 44 T CA 0.369 62.321 62.100 -0.246 0.000 0.966 44 T CB 0.145 68.896 68.868 -0.196 0.000 1.002 44 T HN 0.340 nan 8.240 nan 0.000 0.542 45 D N 0.978 121.253 120.400 -0.207 0.000 2.772 45 D HA -0.156 4.500 4.640 0.026 0.000 0.233 45 D C -0.044 176.378 176.300 0.204 0.000 1.143 45 D CA 0.442 54.480 54.000 0.064 0.000 0.700 45 D CB -1.145 39.732 40.800 0.128 0.000 1.076 45 D HN 0.607 nan 8.370 nan 0.000 0.430 46 R N 0.193 120.783 120.500 0.151 0.000 2.560 46 R HA 0.518 4.874 4.340 0.026 0.000 0.270 46 R C -2.089 174.473 176.300 0.437 0.000 1.074 46 R CA -1.421 54.810 56.100 0.218 0.000 1.140 46 R CB 0.343 30.707 30.300 0.106 0.000 1.073 46 R HN 0.050 nan 8.270 nan 0.000 0.527 47 P HA -0.058 nan 4.420 nan 0.000 0.266 47 P C -0.824 176.634 177.300 0.263 0.000 1.195 47 P CA 0.308 63.545 63.100 0.229 0.000 0.768 47 P CB 0.780 32.566 31.700 0.144 0.000 0.838 48 S N 1.853 117.594 115.700 0.069 0.000 2.437 48 S HA 0.113 4.598 4.470 0.026 0.000 0.305 48 S C 1.060 175.673 174.600 0.022 0.000 1.109 48 S CA -0.537 57.625 58.200 -0.063 0.000 1.099 48 S CB 0.374 63.211 63.200 -0.606 0.000 1.004 48 S HN 0.223 nan 8.310 nan 0.000 0.475 49 Q N 2.917 122.771 119.800 0.090 0.000 2.291 49 Q HA -0.097 4.259 4.340 0.026 0.000 0.206 49 Q C 1.118 177.240 176.000 0.202 0.000 0.976 49 Q CA 1.454 57.341 55.803 0.140 0.000 0.875 49 Q CB -0.157 28.667 28.738 0.143 0.000 0.927 49 Q HN 0.717 nan 8.270 nan 0.000 0.450 50 Q N -0.387 119.452 119.800 0.065 0.000 2.444 50 Q HA 0.096 4.451 4.340 0.026 0.000 0.206 50 Q C -0.157 175.896 176.000 0.089 0.000 0.948 50 Q CA 0.150 55.949 55.803 -0.007 0.000 0.946 50 Q CB 0.310 28.951 28.738 -0.163 0.000 1.027 50 Q HN 0.057 nan 8.270 nan 0.000 0.513 51 L N 0.778 122.056 121.223 0.091 0.000 2.353 51 L HA 0.419 4.774 4.340 0.026 0.000 0.270 51 L C -1.154 175.794 176.870 0.130 0.000 1.003 51 L CA -0.368 54.525 54.840 0.089 0.000 0.862 51 L CB 0.927 42.953 42.059 -0.055 0.000 1.221 51 L HN -0.125 nan 8.230 nan 0.000 0.430 52 R N 2.510 123.126 120.500 0.193 0.000 2.532 52 R HA 0.576 4.931 4.340 0.026 0.000 0.295 52 R C -0.491 175.825 176.300 0.027 0.000 0.968 52 R CA -0.658 55.498 56.100 0.094 0.000 0.916 52 R CB 1.949 32.265 30.300 0.026 0.000 1.124 52 R HN 0.649 nan 8.270 nan 0.000 0.463 53 S N 2.298 118.003 115.700 0.009 0.000 2.525 53 S HA 0.286 4.772 4.470 0.026 0.000 0.278 53 S C 0.630 175.219 174.600 -0.019 0.000 1.234 53 S CA -0.659 57.538 58.200 -0.005 0.000 1.058 53 S CB 0.568 63.777 63.200 0.016 0.000 0.983 53 S HN 0.563 nan 8.310 nan 0.000 0.495 54 L N 3.552 124.761 121.223 -0.023 0.000 2.769 54 L HA 0.297 4.652 4.340 0.026 0.000 0.240 54 L C 0.139 177.142 176.870 0.221 0.000 1.163 54 L CA -0.367 54.476 54.840 0.005 0.000 0.962 54 L CB -0.288 41.704 42.059 -0.112 0.000 1.258 54 L HN 0.509 nan 8.230 nan 0.000 0.513 55 N N 1.291 120.073 118.700 0.137 0.000 2.453 55 N HA 0.465 5.220 4.740 0.026 0.000 0.253 55 N C 0.681 176.314 175.510 0.204 0.000 1.252 55 N CA 1.018 54.161 53.050 0.156 0.000 0.917 55 N CB 1.211 39.724 38.487 0.044 0.000 1.117 55 N HN 0.290 nan 8.380 nan 0.000 0.442 56 G N 0.441 109.380 108.800 0.231 0.000 2.240 56 G HA2 -0.095 3.880 3.960 0.026 0.000 0.199 56 G HA3 -0.095 3.880 3.960 0.026 0.000 0.199 56 G C -1.495 173.611 174.900 0.343 0.000 1.342 56 G CA -0.794 44.434 45.100 0.213 0.000 1.145 56 G HN 0.475 nan 8.290 nan 0.000 0.477 57 E N 0.174 120.547 120.200 0.288 0.000 2.194 57 E HA 0.465 4.831 4.350 0.026 0.000 0.284 57 E C -0.941 175.907 176.600 0.414 0.000 1.035 57 E CA -0.176 56.408 56.400 0.308 0.000 0.836 57 E CB 0.948 30.750 29.700 0.169 0.000 1.070 57 E HN 0.355 nan 8.360 nan 0.000 0.401 58 W N 1.688 123.076 121.300 0.147 0.000 2.804 58 W HA 0.417 5.093 4.660 0.026 0.000 0.352 58 W C 0.139 176.790 176.519 0.219 0.000 1.153 58 W CA -0.749 56.716 57.345 0.200 0.000 1.119 58 W CB 0.764 30.397 29.460 0.288 0.000 1.448 58 W HN 0.172 nan 8.180 nan 0.000 0.600 59 R N 1.426 122.223 120.500 0.495 0.000 2.407 59 R HA 0.579 4.934 4.340 0.026 0.000 0.303 59 R C -1.495 175.067 176.300 0.437 0.000 0.981 59 R CA -0.906 55.417 56.100 0.372 0.000 0.905 59 R CB 1.047 31.513 30.300 0.276 0.000 1.099 59 R HN 0.461 nan 8.270 nan 0.000 0.459 60 F N 0.499 120.497 119.950 0.080 0.000 2.596 60 F HA 0.633 5.175 4.527 0.025 0.000 0.311 60 F C -1.545 174.094 175.800 -0.268 0.000 1.116 60 F CA -0.635 57.258 58.000 -0.178 0.000 0.957 60 F CB 1.956 40.758 39.000 -0.330 0.000 1.250 60 F HN 0.611 nan 8.300 nan 0.000 0.444 61 A N 4.422 126.493 122.820 -1.248 0.000 2.449 61 A HA 0.587 4.922 4.320 0.026 0.000 0.302 61 A C -2.382 174.236 177.584 -1.610 0.000 1.048 61 A CA -0.544 50.812 52.037 -1.136 0.000 0.708 61 A CB 0.793 19.435 19.000 -0.596 0.000 1.274 61 A HN 0.931 nan 8.150 nan 0.000 0.410 62 W N 2.465 122.862 121.300 -1.505 0.000 2.417 62 W HA 0.734 5.409 4.660 0.025 0.000 0.317 62 W C -1.682 174.157 176.519 -1.132 0.000 1.121 62 W CA -0.136 56.489 57.345 -1.199 0.000 1.208 62 W CB 0.982 30.018 29.460 -0.707 0.000 1.253 62 W HN 0.504 nan 8.180 nan 0.000 0.533 63 F N 5.787 125.035 119.950 -1.171 0.000 2.613 63 F HA 0.380 4.923 4.527 0.025 0.000 0.314 63 F C -1.353 173.534 175.800 -1.523 0.000 1.075 63 F CA -2.079 55.376 58.000 -0.908 0.000 0.945 63 F CB 1.902 40.521 39.000 -0.635 0.000 1.310 63 F HN 0.184 nan 8.300 nan 0.000 0.467 64 P HA 0.165 nan 4.420 nan 0.000 0.235 64 P C -0.432 176.742 177.300 -0.210 0.000 1.177 64 P CA 0.756 63.592 63.100 -0.440 0.000 0.785 64 P CB 0.848 32.579 31.700 0.051 0.000 0.885 65 A N -0.377 122.331 122.820 -0.186 0.000 2.612 65 A HA 0.543 4.878 4.320 0.026 0.000 0.293 65 A C -2.413 175.066 177.584 -0.176 0.000 1.075 65 A CA -1.081 50.890 52.037 -0.110 0.000 0.680 65 A CB 0.557 19.554 19.000 -0.004 0.000 1.279 65 A HN -0.291 nan 8.150 nan 0.000 0.411 66 P HA -0.099 nan 4.420 nan 0.000 0.218 66 P C 0.712 177.914 177.300 -0.164 0.000 1.149 66 P CA 1.434 64.401 63.100 -0.221 0.000 0.817 66 P CB 0.225 31.757 31.700 -0.281 0.000 0.785 67 E N 0.030 120.192 120.200 -0.064 0.000 2.333 67 E HA -0.068 4.298 4.350 0.026 0.000 0.198 67 E C 1.981 178.504 176.600 -0.127 0.000 1.007 67 E CA 1.190 57.558 56.400 -0.052 0.000 0.845 67 E CB -0.773 28.933 29.700 0.009 0.000 0.766 67 E HN 0.245 nan 8.360 nan 0.000 0.507 68 A N 0.279 122.986 122.820 -0.189 0.000 2.218 68 A HA 0.097 4.432 4.320 0.026 0.000 0.209 68 A C 0.696 177.939 177.584 -0.568 0.000 1.168 68 A CA -0.136 51.768 52.037 -0.222 0.000 0.804 68 A CB 0.314 19.281 19.000 -0.054 0.000 0.834 68 A HN 0.035 nan 8.150 nan 0.000 0.482 69 V N 2.999 122.467 119.914 -0.743 0.000 2.508 69 V HA 0.207 4.343 4.120 0.026 0.000 0.281 69 V C -2.122 173.619 176.094 -0.589 0.000 1.041 69 V CA -1.454 60.186 62.300 -1.100 0.000 1.016 69 V CB 0.527 31.807 31.823 -0.905 0.000 0.984 69 V HN 0.334 nan 8.190 nan 0.000 0.478 70 P HA 0.234 nan 4.420 nan 0.000 0.276 70 P C 0.494 177.731 177.300 -0.106 0.000 1.230 70 P CA -0.295 62.681 63.100 -0.208 0.000 0.776 70 P CB 1.225 32.859 31.700 -0.110 0.000 0.888 71 E N 1.607 121.760 120.200 -0.079 0.000 2.160 71 E HA -0.204 4.161 4.350 0.026 0.000 0.195 71 E C 1.932 178.508 176.600 -0.040 0.000 0.991 71 E CA 1.984 58.346 56.400 -0.064 0.000 0.810 71 E CB -0.335 29.332 29.700 -0.055 0.000 0.742 71 E HN 0.563 nan 8.360 nan 0.000 0.466 72 S N -0.410 115.284 115.700 -0.010 0.000 2.387 72 S HA -0.251 4.234 4.470 0.026 0.000 0.230 72 S C 1.844 176.463 174.600 0.032 0.000 1.035 72 S CA 1.145 59.349 58.200 0.006 0.000 1.014 72 S CB -0.946 62.268 63.200 0.024 0.000 0.836 72 S HN 0.609 nan 8.310 nan 0.000 0.466 73 W N 2.367 123.573 121.300 -0.158 0.000 2.421 73 W HA 0.081 4.756 4.660 0.025 0.000 0.270 73 W C 1.624 178.024 176.519 -0.198 0.000 1.233 73 W CA 0.732 57.984 57.345 -0.156 0.000 1.226 73 W CB -0.292 29.055 29.460 -0.189 0.000 1.121 73 W HN 0.255 nan 8.180 nan 0.000 0.579 74 L N 0.243 121.268 121.223 -0.330 0.000 2.083 74 L HA -0.184 4.172 4.340 0.026 0.000 0.209 74 L C 2.197 178.818 176.870 -0.415 0.000 1.083 74 L CA 1.783 56.252 54.840 -0.618 0.000 0.752 74 L CB -0.694 41.053 42.059 -0.519 0.000 0.899 74 L HN -0.017 nan 8.230 nan 0.000 0.433 75 E N -1.443 118.611 120.200 -0.243 0.000 2.251 75 E HA 0.012 4.378 4.350 0.026 0.000 0.194 75 E C 0.105 176.627 176.600 -0.129 0.000 0.964 75 E CA 0.328 56.639 56.400 -0.150 0.000 0.868 75 E CB 0.556 30.206 29.700 -0.083 0.000 0.828 75 E HN 0.522 nan 8.360 nan 0.000 0.481 76 C N -0.409 118.821 119.300 -0.116 0.000 2.994 76 C HA 0.495 4.970 4.460 0.026 0.000 0.305 76 C C -0.339 174.638 174.990 -0.023 0.000 1.251 76 C CA -1.882 57.097 59.018 -0.064 0.000 1.478 76 C CB 0.887 28.613 27.740 -0.023 0.000 1.922 76 C HN 0.198 nan 8.230 nan 0.000 0.472 77 D N 0.314 120.718 120.400 0.006 0.000 2.478 77 D HA 0.268 4.923 4.640 0.026 0.000 0.234 77 D C -0.511 175.867 176.300 0.129 0.000 1.154 77 D CA 0.311 54.361 54.000 0.083 0.000 0.874 77 D CB 0.510 41.350 40.800 0.067 0.000 1.198 77 D HN 0.513 nan 8.370 nan 0.000 0.455 78 L N 5.257 126.603 121.223 0.205 0.000 2.290 78 L HA 0.262 4.618 4.340 0.026 0.000 0.284 78 L C -1.279 175.652 176.870 0.102 0.000 1.078 78 L CA -1.426 53.510 54.840 0.160 0.000 0.815 78 L CB 1.372 43.534 42.059 0.170 0.000 1.162 78 L HN 0.527 nan 8.230 nan 0.000 0.435 79 P HA -0.164 nan 4.420 nan 0.000 0.220 79 P C 0.889 178.218 177.300 0.048 0.000 1.148 79 P CA 0.976 64.109 63.100 0.054 0.000 0.803 79 P CB 0.134 31.859 31.700 0.041 0.000 0.782 80 E N 0.032 120.257 120.200 0.040 0.000 2.268 80 E HA 0.031 4.397 4.350 0.026 0.000 0.195 80 E C 1.010 177.620 176.600 0.016 0.000 0.995 80 E CA 0.179 56.590 56.400 0.018 0.000 0.836 80 E CB -0.728 28.967 29.700 -0.009 0.000 0.763 80 E HN 0.101 nan 8.360 nan 0.000 0.491 81 A N 1.637 124.476 122.820 0.031 0.000 2.475 81 A HA 0.026 4.362 4.320 0.026 0.000 0.239 81 A C -0.083 177.551 177.584 0.084 0.000 1.087 81 A CA 0.011 52.068 52.037 0.034 0.000 0.779 81 A CB 0.262 19.309 19.000 0.079 0.000 1.036 81 A HN 0.065 nan 8.150 nan 0.000 0.506 82 D N -0.505 119.977 120.400 0.136 0.000 2.384 82 D HA 0.524 5.179 4.640 0.026 0.000 0.250 82 D C -0.552 175.866 176.300 0.196 0.000 1.029 82 D CA 0.025 54.129 54.000 0.174 0.000 0.990 82 D CB 1.339 42.294 40.800 0.259 0.000 1.175 82 D HN 0.399 nan 8.370 nan 0.000 0.532 83 T N 0.539 115.189 114.554 0.161 0.000 2.749 83 T HA 0.516 4.882 4.350 0.026 0.000 0.287 83 T C 0.080 174.874 174.700 0.157 0.000 0.970 83 T CA -0.535 61.667 62.100 0.170 0.000 0.980 83 T CB 0.642 69.583 68.868 0.123 0.000 0.924 83 T HN 0.261 nan 8.240 nan 0.000 0.456 84 V N 1.237 121.275 119.914 0.207 0.000 3.160 84 V HA 0.802 4.937 4.120 0.026 0.000 0.310 84 V C -0.360 175.846 176.094 0.187 0.000 1.181 84 V CA -1.055 61.324 62.300 0.133 0.000 1.047 84 V CB 1.644 33.568 31.823 0.169 0.000 1.068 84 V HN 0.499 nan 8.190 nan 0.000 0.441 85 V N 1.573 121.567 119.914 0.134 0.000 2.607 85 V HA 0.552 4.687 4.120 0.026 0.000 0.289 85 V C -0.046 176.118 176.094 0.117 0.000 1.053 85 V CA -0.109 62.272 62.300 0.136 0.000 0.996 85 V CB 1.474 33.342 31.823 0.075 0.000 0.995 85 V HN 0.751 nan 8.190 nan 0.000 0.476 86 V N 6.884 126.790 119.914 -0.013 0.000 2.588 86 V HA 0.461 4.596 4.120 0.026 0.000 0.304 86 V C -2.311 173.666 176.094 -0.195 0.000 1.042 86 V CA -1.659 60.486 62.300 -0.258 0.000 0.877 86 V CB 2.477 33.777 31.823 -0.871 0.000 0.996 86 V HN 0.767 nan 8.190 nan 0.000 0.425 87 P HA 0.485 nan 4.420 nan 0.000 0.277 87 P C -0.850 176.378 177.300 -0.120 0.000 1.240 87 P CA -0.162 62.813 63.100 -0.208 0.000 0.798 87 P CB 1.420 33.011 31.700 -0.182 0.000 0.979 88 S N 0.206 115.843 115.700 -0.104 0.000 2.595 88 S HA 0.401 4.887 4.470 0.026 0.000 0.270 88 S C -1.279 173.253 174.600 -0.113 0.000 1.145 88 S CA -1.039 57.093 58.200 -0.114 0.000 0.825 88 S CB 0.422 63.511 63.200 -0.185 0.000 1.107 88 S HN 0.359 nan 8.310 nan 0.000 0.461 89 N N 0.988 119.564 118.700 -0.207 0.000 2.424 89 N HA 0.425 5.181 4.740 0.026 0.000 0.271 89 N C 0.481 175.815 175.510 -0.293 0.000 0.985 89 N CA -0.859 52.033 53.050 -0.263 0.000 0.921 89 N CB 0.700 39.007 38.487 -0.301 0.000 1.149 89 N HN 0.863 nan 8.380 nan 0.000 0.492 90 W N 2.399 123.558 121.300 -0.235 0.000 2.468 90 W HA -0.054 4.622 4.660 0.026 0.000 0.262 90 W C 0.967 177.446 176.519 -0.067 0.000 1.241 90 W CA 0.521 57.719 57.345 -0.245 0.000 1.232 90 W CB -0.321 29.019 29.460 -0.201 0.000 1.124 90 W HN 0.513 nan 8.180 nan 0.000 0.597 91 Q N 0.571 120.344 119.800 -0.046 0.000 2.167 91 Q HA -0.113 4.243 4.340 0.026 0.000 0.202 91 Q C 2.155 178.081 176.000 -0.123 0.000 0.970 91 Q CA 1.819 57.579 55.803 -0.072 0.000 0.855 91 Q CB -0.514 28.064 28.738 -0.268 0.000 0.911 91 Q HN 0.276 nan 8.270 nan 0.000 0.438 92 M N -0.802 118.694 119.600 -0.173 0.000 2.619 92 M HA -0.028 4.468 4.480 0.026 0.000 0.251 92 M C 0.554 176.906 176.300 0.087 0.000 1.106 92 M CA 1.291 56.521 55.300 -0.116 0.000 1.086 92 M CB -0.503 32.019 32.600 -0.131 0.000 1.465 92 M HN 0.374 nan 8.290 nan 0.000 0.506 93 H N -0.915 118.166 119.070 0.017 0.000 2.586 93 H HA 0.300 4.872 4.556 0.026 0.000 0.273 93 H C 1.300 176.507 175.328 -0.203 0.000 0.997 93 H CA 0.131 56.167 56.048 -0.021 0.000 1.177 93 H CB 0.570 30.414 29.762 0.136 0.000 1.471 93 H HN 0.545 nan 8.280 nan 0.000 0.538 94 G N 0.609 109.393 108.800 -0.027 0.000 2.157 94 G HA2 -0.358 3.617 3.960 0.026 0.000 0.248 94 G HA3 -0.358 3.617 3.960 0.026 0.000 0.248 94 G C 0.408 175.161 174.900 -0.245 0.000 0.979 94 G CA 0.276 45.288 45.100 -0.146 0.000 0.650 94 G HN 0.465 nan 8.290 nan 0.000 0.529 95 Y N 1.655 121.966 120.300 0.018 0.000 2.373 95 Y HA 0.269 4.835 4.550 0.025 0.000 0.293 95 Y C 1.628 177.272 175.900 -0.426 0.000 1.129 95 Y CA 1.506 59.497 58.100 -0.182 0.000 1.226 95 Y CB 0.228 38.643 38.460 -0.074 0.000 1.000 95 Y HN 0.635 nan 8.280 nan 0.000 0.549 96 D N -1.809 118.644 120.400 0.088 0.000 2.665 96 D HA 0.465 5.121 4.640 0.026 0.000 0.287 96 D C -1.205 175.167 176.300 0.121 0.000 1.266 96 D CA -0.870 53.187 54.000 0.094 0.000 0.830 96 D CB 0.772 41.745 40.800 0.289 0.000 1.356 96 D HN -0.065 nan 8.370 nan 0.000 0.437 97 A N 0.293 123.193 122.820 0.133 0.000 2.331 97 A HA 0.675 5.011 4.320 0.026 0.000 0.283 97 A C -2.279 175.328 177.584 0.038 0.000 1.142 97 A CA -1.070 51.024 52.037 0.094 0.000 0.812 97 A CB 0.011 19.138 19.000 0.212 0.000 1.074 97 A HN 0.539 nan 8.150 nan 0.000 0.497 98 P HA 0.470 nan 4.420 nan 0.000 0.277 98 P C -0.864 176.612 177.300 0.292 0.000 1.240 98 P CA -0.004 63.042 63.100 -0.089 0.000 0.798 98 P CB 0.873 32.253 31.700 -0.535 0.000 0.979 99 I N 1.797 122.647 120.570 0.466 0.000 2.465 99 I HA 0.265 4.450 4.170 0.026 0.000 0.291 99 I C -0.756 175.574 176.117 0.355 0.000 1.014 99 I CA -0.977 60.586 61.300 0.438 0.000 1.093 99 I CB 1.933 40.114 38.000 0.302 0.000 1.267 99 I HN 0.290 nan 8.210 nan 0.000 0.431 100 Y N 5.955 126.223 120.300 -0.052 0.000 2.478 100 Y HA 0.535 5.100 4.550 0.025 0.000 0.329 100 Y C -0.427 175.323 175.900 -0.248 0.000 0.967 100 Y CA -0.552 57.222 58.100 -0.543 0.000 1.255 100 Y CB 1.212 38.831 38.460 -1.402 0.000 1.103 100 Y HN 0.526 nan 8.280 nan 0.000 0.497 101 T N 5.168 119.174 114.554 -0.914 0.000 2.893 101 T HA 0.268 4.634 4.350 0.026 0.000 0.293 101 T C 0.122 174.328 174.700 -0.823 0.000 1.027 101 T CA -0.575 61.047 62.100 -0.797 0.000 0.988 101 T CB 1.115 69.762 68.868 -0.368 0.000 1.043 101 T HN 0.762 nan 8.240 nan 0.000 0.461 102 N N 2.856 121.120 118.700 -0.726 0.000 2.288 102 N HA 0.048 4.804 4.740 0.026 0.000 0.199 102 N C 1.597 176.839 175.510 -0.446 0.000 1.043 102 N CA 1.566 54.329 53.050 -0.477 0.000 0.947 102 N CB -0.679 37.562 38.487 -0.410 0.000 1.140 102 N HN 0.386 nan 8.380 nan 0.000 0.490 103 V N 0.368 119.954 119.914 -0.547 0.000 2.426 103 V HA 0.087 4.223 4.120 0.026 0.000 0.242 103 V C 0.505 176.295 176.094 -0.507 0.000 1.036 103 V CA 0.989 62.892 62.300 -0.660 0.000 1.044 103 V CB -0.775 30.547 31.823 -0.834 0.000 0.688 103 V HN 0.341 nan 8.190 nan 0.000 0.462 104 T N 0.854 115.176 114.554 -0.388 0.000 2.902 104 T HA 0.159 4.525 4.350 0.026 0.000 0.301 104 T C -0.348 174.230 174.700 -0.203 0.000 1.012 104 T CA 0.222 62.173 62.100 -0.247 0.000 1.151 104 T CB -0.160 68.590 68.868 -0.196 0.000 0.946 104 T HN 0.179 nan 8.240 nan 0.000 0.542 105 Y N 4.637 124.843 120.300 -0.157 0.000 2.550 105 Y HA 0.125 4.690 4.550 0.025 0.000 0.343 105 Y C -0.764 175.018 175.900 -0.196 0.000 1.245 105 Y CA -1.607 56.395 58.100 -0.164 0.000 1.462 105 Y CB 0.435 38.798 38.460 -0.162 0.000 1.340 105 Y HN 0.511 nan 8.280 nan 0.000 0.604 106 P HA 0.025 nan 4.420 nan 0.000 0.245 106 P C -0.372 176.710 177.300 -0.364 0.000 1.212 106 P CA 1.033 64.032 63.100 -0.167 0.000 0.774 106 P CB 0.106 31.745 31.700 -0.102 0.000 0.999 107 I N -5.298 115.041 120.570 -0.385 0.000 3.042 107 I HA 0.497 4.682 4.170 0.026 0.000 0.310 107 I C -0.662 175.318 176.117 -0.228 0.000 1.117 107 I CA -1.202 59.829 61.300 -0.448 0.000 1.003 107 I CB 1.882 39.438 38.000 -0.739 0.000 1.228 107 I HN -0.464 nan 8.210 nan 0.000 0.443 108 T N 2.640 117.104 114.554 -0.151 0.000 2.940 108 T HA 0.148 4.513 4.350 0.026 0.000 0.309 108 T C 0.190 174.866 174.700 -0.041 0.000 1.056 108 T CA -0.177 61.885 62.100 -0.064 0.000 1.137 108 T CB 0.732 69.587 68.868 -0.022 0.000 0.976 108 T HN 0.376 nan 8.240 nan 0.000 0.547 109 V N 4.926 124.830 119.914 -0.017 0.000 2.381 109 V HA 0.210 4.345 4.120 0.026 0.000 0.257 109 V C 0.693 176.826 176.094 0.065 0.000 1.057 109 V CA -0.031 62.273 62.300 0.006 0.000 1.013 109 V CB -0.183 31.629 31.823 -0.018 0.000 1.069 109 V HN 0.858 nan 8.190 nan 0.000 0.484 110 N N 5.992 124.790 118.700 0.164 0.000 2.679 110 N HA 0.229 4.984 4.740 0.026 0.000 0.240 110 N C -2.936 172.647 175.510 0.121 0.000 1.537 110 N CA -1.104 52.038 53.050 0.152 0.000 0.793 110 N CB 1.430 40.056 38.487 0.230 0.000 1.391 110 N HN 0.282 nan 8.380 nan 0.000 0.524 111 P HA 0.238 nan 4.420 nan 0.000 0.269 111 P C -2.335 174.710 177.300 -0.424 0.000 1.209 111 P CA -0.738 61.946 63.100 -0.694 0.000 0.776 111 P CB 0.580 31.590 31.700 -1.151 0.000 0.876 112 P HA 0.260 nan 4.420 nan 0.000 0.262 112 P C -0.505 176.660 177.300 -0.225 0.000 1.651 112 P CA -0.312 62.573 63.100 -0.357 0.000 1.119 112 P CB -0.062 31.438 31.700 -0.335 0.000 1.552 113 F N 0.839 120.909 119.950 0.200 0.000 2.370 113 F HA 0.359 4.902 4.527 0.026 0.000 0.324 113 F C 1.354 177.322 175.800 0.281 0.000 1.116 113 F CA -0.755 57.365 58.000 0.201 0.000 1.123 113 F CB 1.072 40.140 39.000 0.113 0.000 1.238 113 F HN -0.193 nan 8.300 nan 0.000 0.536 114 V N -1.085 119.115 119.914 0.476 0.000 3.155 114 V HA 0.704 4.839 4.120 0.026 0.000 0.313 114 V C -2.844 173.409 176.094 0.265 0.000 1.162 114 V CA -2.808 59.687 62.300 0.325 0.000 1.048 114 V CB 1.419 33.479 31.823 0.395 0.000 1.092 114 V HN 0.476 nan 8.190 nan 0.000 0.447 115 P HA 0.238 nan 4.420 nan 0.000 0.269 115 P C 1.001 178.433 177.300 0.218 0.000 1.215 115 P CA 0.515 63.703 63.100 0.145 0.000 0.780 115 P CB 0.605 32.354 31.700 0.082 0.000 0.898 116 T N -1.862 112.792 114.554 0.166 0.000 2.857 116 T HA -0.101 4.264 4.350 0.026 0.000 0.266 116 T C 0.636 175.438 174.700 0.171 0.000 1.048 116 T CA 0.842 63.042 62.100 0.168 0.000 1.139 116 T CB -0.657 68.278 68.868 0.111 0.000 0.874 116 T HN 0.298 nan 8.240 nan 0.000 0.455 117 E N 2.753 123.054 120.200 0.167 0.000 1.858 117 E HA 0.262 4.627 4.350 0.026 0.000 0.267 117 E C -0.694 176.056 176.600 0.250 0.000 1.215 117 E CA -0.212 56.296 56.400 0.180 0.000 0.952 117 E CB -0.130 29.685 29.700 0.192 0.000 1.058 117 E HN 0.326 nan 8.360 nan 0.000 0.407 118 N N 4.302 123.126 118.700 0.206 0.000 2.569 118 N HA 0.278 5.033 4.740 0.026 0.000 0.254 118 N C -2.831 172.713 175.510 0.055 0.000 1.004 118 N CA -2.681 50.531 53.050 0.271 0.000 0.904 118 N CB 1.052 39.694 38.487 0.258 0.000 1.165 118 N HN 0.032 nan 8.380 nan 0.000 0.513 119 P HA 0.022 nan 4.420 nan 0.000 0.260 119 P C -0.877 176.332 177.300 -0.152 0.000 1.172 119 P CA 0.470 63.509 63.100 -0.103 0.000 0.760 119 P CB 0.366 32.327 31.700 0.435 0.000 0.773 120 T N 2.902 117.101 114.554 -0.593 0.000 2.809 120 T HA 0.561 4.926 4.350 0.026 0.000 0.284 120 T C 0.226 174.417 174.700 -0.848 0.000 0.992 120 T CA -0.572 61.232 62.100 -0.493 0.000 0.957 120 T CB 1.508 70.122 68.868 -0.423 0.000 0.942 120 T HN 0.336 nan 8.240 nan 0.000 0.439 121 G N 1.103 109.474 108.800 -0.716 0.000 2.370 121 G HA2 0.484 4.459 3.960 0.026 0.000 0.317 121 G HA3 0.484 4.459 3.960 0.026 0.000 0.317 121 G C -0.303 174.327 174.900 -0.449 0.000 1.162 121 G CA -0.367 44.177 45.100 -0.927 0.000 0.922 121 G HN 0.859 nan 8.290 nan 0.000 0.454 122 C N 3.229 122.046 119.300 -0.806 0.000 2.223 122 C HA 0.464 4.939 4.460 0.026 0.000 0.324 122 C C -0.519 174.409 174.990 -0.104 0.000 1.196 122 C CA -0.870 57.831 59.018 -0.529 0.000 1.628 122 C CB -1.720 25.332 27.740 -1.145 0.000 2.229 122 C HN 0.634 nan 8.230 nan 0.000 0.486 123 Y N 2.065 122.637 120.300 0.453 0.000 2.387 123 Y HA 0.627 5.193 4.550 0.026 0.000 0.336 123 Y C 0.801 177.154 175.900 0.755 0.000 1.067 123 Y CA -0.039 58.438 58.100 0.630 0.000 1.114 123 Y CB 1.552 40.355 38.460 0.571 0.000 1.208 123 Y HN 0.679 nan 8.280 nan 0.000 0.458 124 S N 2.436 118.629 115.700 0.821 0.000 2.579 124 S HA 0.817 5.303 4.470 0.026 0.000 0.272 124 S C -1.978 172.729 174.600 0.179 0.000 1.141 124 S CA -0.816 57.659 58.200 0.458 0.000 0.843 124 S CB 2.172 65.517 63.200 0.240 0.000 1.122 124 S HN 0.584 nan 8.310 nan 0.000 0.468 125 L N 0.856 122.000 121.223 -0.131 0.000 2.493 125 L HA 0.707 5.063 4.340 0.026 0.000 0.265 125 L C -1.079 175.745 176.870 -0.077 0.000 0.954 125 L CA 0.118 54.722 54.840 -0.393 0.000 0.844 125 L CB 2.298 43.596 42.059 -1.267 0.000 1.302 125 L HN 0.919 nan 8.230 nan 0.000 0.405 126 T N 5.720 120.250 114.554 -0.040 0.000 2.749 126 T HA 0.709 5.074 4.350 0.026 0.000 0.287 126 T C -0.810 173.926 174.700 0.060 0.000 0.970 126 T CA 0.025 62.127 62.100 0.003 0.000 0.980 126 T CB 0.090 68.932 68.868 -0.044 0.000 0.924 126 T HN 0.433 nan 8.240 nan 0.000 0.456 127 F N 1.118 120.966 119.950 -0.170 0.000 2.626 127 F HA 0.741 5.283 4.527 0.026 0.000 0.311 127 F C -0.611 175.107 175.800 -0.136 0.000 1.088 127 F CA -1.574 56.326 58.000 -0.167 0.000 0.949 127 F CB 1.322 40.198 39.000 -0.207 0.000 1.322 127 F HN 0.328 nan 8.300 nan 0.000 0.461 128 N N 0.706 119.341 118.700 -0.107 0.000 2.498 128 N HA 0.573 5.329 4.740 0.026 0.000 0.287 128 N C -1.804 173.587 175.510 -0.198 0.000 1.097 128 N CA -0.344 52.587 53.050 -0.198 0.000 0.973 128 N CB 1.749 40.162 38.487 -0.123 0.000 1.153 128 N HN 0.635 nan 8.380 nan 0.000 0.472 129 V N 2.375 122.144 119.914 -0.241 0.000 2.531 129 V HA 0.233 4.368 4.120 0.026 0.000 0.301 129 V C -0.469 175.515 176.094 -0.184 0.000 1.034 129 V CA -0.925 61.241 62.300 -0.223 0.000 0.865 129 V CB 1.428 33.175 31.823 -0.126 0.000 0.995 129 V HN 0.766 nan 8.190 nan 0.000 0.424 130 D N 2.546 122.794 120.400 -0.253 0.000 2.382 130 D HA 0.130 4.785 4.640 0.026 0.000 0.245 130 D C 1.103 177.408 176.300 0.008 0.000 1.120 130 D CA 0.013 53.942 54.000 -0.119 0.000 0.890 130 D CB 1.490 42.218 40.800 -0.120 0.000 1.201 130 D HN 0.653 nan 8.370 nan 0.000 0.433 131 E N 1.546 121.762 120.200 0.026 0.000 2.160 131 E HA -0.209 4.157 4.350 0.026 0.000 0.195 131 E C 1.718 178.386 176.600 0.113 0.000 0.991 131 E CA 1.733 58.170 56.400 0.063 0.000 0.810 131 E CB -0.336 29.385 29.700 0.036 0.000 0.742 131 E HN 0.476 nan 8.360 nan 0.000 0.466 132 S N -0.913 114.861 115.700 0.125 0.000 2.402 132 S HA -0.200 4.285 4.470 0.026 0.000 0.233 132 S C 1.833 176.525 174.600 0.153 0.000 1.030 132 S CA 1.205 59.483 58.200 0.128 0.000 1.003 132 S CB -0.961 62.317 63.200 0.130 0.000 0.813 132 S HN 0.412 nan 8.310 nan 0.000 0.477 133 W N 1.604 122.838 121.300 -0.110 0.000 2.519 133 W HA 0.356 5.031 4.660 0.026 0.000 0.266 133 W C 1.870 178.443 176.519 0.089 0.000 1.253 133 W CA 0.031 57.290 57.345 -0.144 0.000 1.274 133 W CB -0.368 29.075 29.460 -0.028 0.000 1.114 133 W HN 0.315 nan 8.180 nan 0.000 0.596 134 L N -1.024 120.368 121.223 0.283 0.000 2.590 134 L HA 0.120 4.475 4.340 0.026 0.000 0.227 134 L C 2.054 179.009 176.870 0.142 0.000 1.099 134 L CA 0.267 55.232 54.840 0.210 0.000 0.872 134 L CB -0.505 41.649 42.059 0.159 0.000 1.088 134 L HN -0.121 nan 8.230 nan 0.000 0.479 135 Q N 0.192 120.064 119.800 0.120 0.000 2.187 135 Q HA 0.011 4.367 4.340 0.026 0.000 0.199 135 Q C 0.116 176.167 176.000 0.084 0.000 0.957 135 Q CA 0.990 56.842 55.803 0.082 0.000 0.857 135 Q CB 0.662 29.437 28.738 0.062 0.000 0.929 135 Q HN 0.227 nan 8.270 nan 0.000 0.453 136 E N -1.662 118.608 120.200 0.118 0.000 2.393 136 E HA 0.493 4.858 4.350 0.026 0.000 0.273 136 E C -0.229 176.485 176.600 0.190 0.000 0.918 136 E CA 0.193 56.663 56.400 0.117 0.000 0.773 136 E CB 1.683 31.443 29.700 0.100 0.000 1.275 136 E HN 0.273 nan 8.360 nan 0.000 0.451 137 G N 1.527 110.365 108.800 0.064 0.000 2.698 137 G HA2 -0.263 3.713 3.960 0.026 0.000 0.233 137 G HA3 -0.263 3.713 3.960 0.026 0.000 0.233 137 G C -0.535 174.275 174.900 -0.150 0.000 1.352 137 G CA 0.044 45.083 45.100 -0.101 0.000 0.879 137 G HN 0.507 nan 8.290 nan 0.000 0.567 138 Q N -0.534 119.024 119.800 -0.403 0.000 2.340 138 Q HA 0.625 4.980 4.340 0.026 0.000 0.268 138 Q C -0.942 174.912 176.000 -0.245 0.000 1.031 138 Q CA -0.472 55.200 55.803 -0.219 0.000 0.804 138 Q CB 1.483 30.119 28.738 -0.169 0.000 1.286 138 Q HN 0.612 nan 8.270 nan 0.000 0.448 139 T N 5.038 119.620 114.554 0.046 0.000 2.756 139 T HA 0.463 4.829 4.350 0.026 0.000 0.290 139 T C -0.620 174.197 174.700 0.195 0.000 0.985 139 T CA -0.610 61.618 62.100 0.213 0.000 0.955 139 T CB 0.442 69.579 68.868 0.447 0.000 0.930 139 T HN 0.613 nan 8.240 nan 0.000 0.451 140 R N 2.853 123.455 120.500 0.170 0.000 2.854 140 R HA 0.778 5.134 4.340 0.026 0.000 0.271 140 R C -1.072 175.328 176.300 0.167 0.000 0.996 140 R CA -1.001 55.197 56.100 0.164 0.000 0.961 140 R CB 1.540 31.911 30.300 0.117 0.000 1.182 140 R HN 0.553 nan 8.270 nan 0.000 0.479 141 I N 2.247 122.918 120.570 0.168 0.000 2.460 141 I HA 0.438 4.623 4.170 0.026 0.000 0.298 141 I C -1.060 175.112 176.117 0.092 0.000 0.989 141 I CA -1.256 60.093 61.300 0.082 0.000 1.173 141 I CB 1.330 39.375 38.000 0.076 0.000 1.338 141 I HN 0.613 nan 8.210 nan 0.000 0.456 142 I N 7.317 127.842 120.570 -0.076 0.000 2.418 142 I HA 0.296 4.482 4.170 0.026 0.000 0.287 142 I C -1.299 174.699 176.117 -0.198 0.000 1.008 142 I CA -0.347 60.930 61.300 -0.039 0.000 1.104 142 I CB 1.398 39.381 38.000 -0.028 0.000 1.264 142 I HN 0.391 nan 8.210 nan 0.000 0.438 143 F N 4.506 124.453 119.950 -0.005 0.000 2.332 143 F HA 0.283 4.825 4.527 0.025 0.000 0.368 143 F C 1.269 176.965 175.800 -0.173 0.000 1.110 143 F CA -0.462 57.464 58.000 -0.123 0.000 1.087 143 F CB 0.936 39.834 39.000 -0.170 0.000 1.235 143 F HN 0.455 nan 8.300 nan 0.000 0.470 144 D N 2.367 122.700 120.400 -0.111 0.000 2.264 144 D HA 0.051 4.706 4.640 0.026 0.000 0.208 144 D C 0.968 177.103 176.300 -0.274 0.000 0.966 144 D CA 0.855 54.738 54.000 -0.196 0.000 0.864 144 D CB 0.415 41.040 40.800 -0.291 0.000 0.933 144 D HN 0.621 nan 8.370 nan 0.000 0.499 145 G N -0.339 108.232 108.800 -0.381 0.000 2.505 145 G HA2 0.438 4.413 3.960 0.026 0.000 0.292 145 G HA3 0.438 4.413 3.960 0.026 0.000 0.292 145 G C -1.423 173.195 174.900 -0.470 0.000 1.332 145 G CA -0.412 44.337 45.100 -0.585 0.000 1.286 145 G HN -0.061 nan 8.290 nan 0.000 0.606 146 V N 2.492 122.338 119.914 -0.113 0.000 2.525 146 V HA 0.519 4.654 4.120 0.026 0.000 0.299 146 V C -0.806 175.368 176.094 0.134 0.000 1.034 146 V CA -1.198 61.046 62.300 -0.093 0.000 0.863 146 V CB 1.936 33.427 31.823 -0.554 0.000 0.999 146 V HN 0.685 nan 8.190 nan 0.000 0.423 147 N N 2.538 121.315 118.700 0.127 0.000 2.476 147 N HA 0.314 5.070 4.740 0.026 0.000 0.257 147 N C 0.611 176.058 175.510 -0.106 0.000 0.970 147 N CA 0.197 53.235 53.050 -0.020 0.000 0.938 147 N CB 2.106 40.431 38.487 -0.270 0.000 1.144 147 N HN 0.709 nan 8.380 nan 0.000 0.500 148 S N 1.958 117.632 115.700 -0.044 0.000 2.526 148 S HA 0.580 5.065 4.470 0.026 0.000 0.220 148 S C 0.284 174.946 174.600 0.103 0.000 1.017 148 S CA 0.111 58.334 58.200 0.038 0.000 0.930 148 S CB 0.326 63.554 63.200 0.047 0.000 0.856 148 S HN 0.638 nan 8.310 nan 0.000 0.497 149 A N 0.743 123.637 122.820 0.124 0.000 2.608 149 A HA 0.762 5.097 4.320 0.026 0.000 0.292 149 A C -1.334 176.348 177.584 0.163 0.000 1.066 149 A CA -0.943 51.133 52.037 0.065 0.000 0.676 149 A CB 0.732 19.802 19.000 0.116 0.000 1.277 149 A HN 1.138 nan 8.150 nan 0.000 0.413 150 F N -0.826 118.947 119.950 -0.295 0.000 2.719 150 F HA 0.741 5.283 4.527 0.025 0.000 0.309 150 F C -1.101 174.602 175.800 -0.161 0.000 1.138 150 F CA -0.830 57.098 58.000 -0.121 0.000 0.943 150 F CB 1.050 39.961 39.000 -0.148 0.000 1.304 150 F HN 0.646 nan 8.300 nan 0.000 0.445 151 H N 1.533 120.754 119.070 0.252 0.000 2.533 151 H HA 0.740 5.311 4.556 0.026 0.000 0.343 151 H C -1.456 173.843 175.328 -0.047 0.000 1.160 151 H CA -0.733 55.338 56.048 0.038 0.000 1.218 151 H CB 2.518 32.303 29.762 0.038 0.000 1.566 151 H HN 0.754 nan 8.280 nan 0.000 0.522 152 L N 2.403 123.410 121.223 -0.361 0.000 2.386 152 L HA 0.406 4.761 4.340 0.026 0.000 0.271 152 L C -1.627 174.959 176.870 -0.474 0.000 0.993 152 L CA -0.534 54.163 54.840 -0.239 0.000 0.819 152 L CB 1.550 43.311 42.059 -0.498 0.000 1.294 152 L HN 0.527 nan 8.230 nan 0.000 0.414 153 W N 4.108 125.385 121.300 -0.038 0.000 2.864 153 W HA 0.617 5.292 4.660 0.026 0.000 0.343 153 W C -1.190 175.277 176.519 -0.086 0.000 1.109 153 W CA -0.822 56.485 57.345 -0.063 0.000 1.192 153 W CB 2.108 31.569 29.460 0.001 0.000 1.426 153 W HN 0.611 nan 8.180 nan 0.000 0.529 154 C N 4.454 123.842 119.300 0.147 0.000 2.432 154 C HA 0.289 4.765 4.460 0.026 0.000 0.334 154 C C 0.197 175.318 174.990 0.218 0.000 1.155 154 C CA -0.359 58.741 59.018 0.136 0.000 1.335 154 C CB -0.634 27.123 27.740 0.027 0.000 1.964 154 C HN 0.815 nan 8.230 nan 0.000 0.444 155 N N 3.554 122.336 118.700 0.137 0.000 2.735 155 N HA -0.187 4.568 4.740 0.026 0.000 0.248 155 N C 0.951 176.525 175.510 0.106 0.000 1.083 155 N CA 2.065 55.169 53.050 0.091 0.000 0.703 155 N CB -1.334 37.207 38.487 0.090 0.000 1.005 155 N HN 1.887 nan 8.380 nan 0.000 0.550 156 G N -1.196 107.666 108.800 0.102 0.000 2.179 156 G HA2 -0.357 3.618 3.960 0.026 0.000 0.260 156 G HA3 -0.357 3.618 3.960 0.026 0.000 0.260 156 G C 0.105 175.176 174.900 0.286 0.000 0.977 156 G CA 0.606 45.763 45.100 0.095 0.000 0.641 156 G HN 0.546 nan 8.290 nan 0.000 0.533 157 R N -1.007 119.725 120.500 0.387 0.000 2.460 157 R HA 0.463 4.818 4.340 0.026 0.000 0.303 157 R C -0.268 176.360 176.300 0.546 0.000 0.968 157 R CA -0.848 55.550 56.100 0.497 0.000 0.889 157 R CB 1.220 31.823 30.300 0.504 0.000 1.123 157 R HN 0.211 nan 8.270 nan 0.000 0.455 158 W N 3.188 124.651 121.300 0.272 0.000 2.216 158 W HA 0.120 4.795 4.660 0.025 0.000 0.326 158 W C 0.052 176.475 176.519 -0.159 0.000 1.319 158 W CA 0.006 57.212 57.345 -0.232 0.000 1.213 158 W CB 0.741 30.035 29.460 -0.277 0.000 1.171 158 W HN 0.307 nan 8.180 nan 0.000 0.557 159 V N 4.952 124.114 119.914 -1.254 0.000 2.743 159 V HA 0.534 4.669 4.120 0.026 0.000 0.237 159 V C 1.003 176.093 176.094 -1.673 0.000 1.113 159 V CA 1.041 62.557 62.300 -1.307 0.000 1.141 159 V CB -0.219 30.873 31.823 -1.218 0.000 0.873 159 V HN 0.843 nan 8.190 nan 0.000 0.486 160 G N -1.727 105.845 108.800 -2.048 0.000 2.341 160 G HA2 0.454 4.430 3.960 0.026 0.000 0.299 160 G HA3 0.454 4.430 3.960 0.026 0.000 0.299 160 G C -2.407 172.086 174.900 -0.678 0.000 1.274 160 G CA -0.193 44.117 45.100 -1.316 0.000 0.853 160 G HN 0.023 nan 8.290 nan 0.000 0.493 161 Y N -0.514 119.552 120.300 -0.390 0.000 2.571 161 Y HA 0.697 5.262 4.550 0.025 0.000 0.341 161 Y C -0.154 175.516 175.900 -0.384 0.000 1.076 161 Y CA -0.099 57.706 58.100 -0.492 0.000 1.029 161 Y CB 2.190 40.506 38.460 -0.240 0.000 1.308 161 Y HN 1.243 nan 8.280 nan 0.000 0.461 162 G N 3.722 111.630 108.800 -1.487 0.000 2.706 162 G HA2 0.594 4.569 3.960 0.026 0.000 0.297 162 G HA3 0.594 4.569 3.960 0.026 0.000 0.297 162 G C -2.086 172.328 174.900 -0.809 0.000 1.403 162 G CA -0.847 43.694 45.100 -0.932 0.000 0.954 162 G HN 0.630 nan 8.290 nan 0.000 0.500 163 Q N -0.196 119.393 119.800 -0.351 0.000 2.633 163 Q HA 0.591 4.946 4.340 0.026 0.000 0.292 163 Q C -1.326 174.670 176.000 -0.007 0.000 1.089 163 Q CA -0.862 54.868 55.803 -0.120 0.000 0.811 163 Q CB 2.580 31.302 28.738 -0.026 0.000 1.472 163 Q HN 0.641 nan 8.270 nan 0.000 0.464 164 D N -0.169 120.265 120.400 0.057 0.000 4.535 164 D HA -0.099 4.557 4.640 0.026 0.000 0.236 164 D C -0.578 175.782 176.300 0.100 0.000 1.142 164 D CA 0.445 54.494 54.000 0.082 0.000 1.102 164 D CB -0.668 40.165 40.800 0.055 0.000 0.703 164 D HN 0.534 nan 8.370 nan 0.000 0.331 165 S N 3.240 119.014 115.700 0.123 0.000 2.595 165 S HA -0.049 4.436 4.470 0.026 0.000 0.235 165 S C 1.532 176.254 174.600 0.204 0.000 0.974 165 S CA 0.452 58.753 58.200 0.169 0.000 0.942 165 S CB 0.249 63.524 63.200 0.125 0.000 0.766 165 S HN 0.449 nan 8.310 nan 0.000 0.536 166 R N 0.171 120.755 120.500 0.140 0.000 2.543 166 R HA 0.433 4.788 4.340 0.026 0.000 0.323 166 R C -0.397 175.956 176.300 0.088 0.000 1.002 166 R CA 0.057 56.238 56.100 0.135 0.000 1.106 166 R CB 0.187 30.584 30.300 0.163 0.000 1.280 166 R HN 0.324 nan 8.270 nan 0.000 0.549 167 L N 1.382 122.631 121.223 0.043 0.000 2.350 167 L HA 0.518 4.873 4.340 0.026 0.000 0.260 167 L C -2.391 174.456 176.870 -0.039 0.000 1.015 167 L CA -2.286 52.550 54.840 -0.007 0.000 0.821 167 L CB 2.947 44.995 42.059 -0.020 0.000 1.370 167 L HN -0.206 nan 8.230 nan 0.000 0.416 168 P HA 0.118 nan 4.420 nan 0.000 0.271 168 P C -1.034 176.230 177.300 -0.060 0.000 1.216 168 P CA -0.222 62.833 63.100 -0.075 0.000 0.776 168 P CB 1.147 32.766 31.700 -0.134 0.000 0.881 169 S N 1.995 117.719 115.700 0.040 0.000 2.498 169 S HA 0.308 4.793 4.470 0.026 0.000 0.317 169 S C -0.407 174.166 174.600 -0.044 0.000 1.090 169 S CA -0.586 57.601 58.200 -0.022 0.000 1.089 169 S CB 0.837 64.170 63.200 0.222 0.000 0.997 169 S HN 0.361 nan 8.310 nan 0.000 0.470 170 E N 2.113 122.070 120.200 -0.404 0.000 2.199 170 E HA 0.553 4.919 4.350 0.026 0.000 0.269 170 E C -1.428 174.750 176.600 -0.704 0.000 0.899 170 E CA -0.534 55.690 56.400 -0.292 0.000 0.772 170 E CB 1.655 31.293 29.700 -0.103 0.000 1.155 170 E HN 0.409 nan 8.360 nan 0.000 0.408 171 F N 0.660 120.665 119.950 0.091 0.000 2.565 171 F HA 0.184 4.727 4.527 0.026 0.000 0.313 171 F C 0.083 175.908 175.800 0.042 0.000 1.091 171 F CA -1.116 56.899 58.000 0.025 0.000 0.915 171 F CB 1.544 40.520 39.000 -0.039 0.000 1.208 171 F HN 0.277 nan 8.300 nan 0.000 0.453 172 D N 3.111 123.639 120.400 0.214 0.000 2.339 172 D HA 0.179 4.834 4.640 0.026 0.000 0.256 172 D C 0.315 176.761 176.300 0.244 0.000 1.214 172 D CA 0.395 54.508 54.000 0.188 0.000 0.877 172 D CB 0.880 41.773 40.800 0.155 0.000 1.111 172 D HN 0.575 nan 8.370 nan 0.000 0.478 173 L N 2.869 124.242 121.223 0.249 0.000 2.667 173 L HA 0.027 4.382 4.340 0.026 0.000 0.232 173 L C 2.081 179.188 176.870 0.395 0.000 1.138 173 L CA -0.173 54.858 54.840 0.318 0.000 0.921 173 L CB 0.082 42.289 42.059 0.247 0.000 1.180 173 L HN 0.269 nan 8.230 nan 0.000 0.487 174 S N 1.437 117.310 115.700 0.288 0.000 2.372 174 S HA -0.273 4.212 4.470 0.026 0.000 0.227 174 S C 1.996 176.702 174.600 0.176 0.000 1.044 174 S CA 1.832 60.159 58.200 0.212 0.000 1.050 174 S CB -0.150 63.132 63.200 0.137 0.000 0.901 174 S HN 0.565 nan 8.310 nan 0.000 0.447 175 A N -0.655 122.257 122.820 0.153 0.000 2.251 175 A HA 0.375 4.711 4.320 0.026 0.000 0.209 175 A C 1.236 178.720 177.584 -0.167 0.000 1.187 175 A CA 0.208 52.216 52.037 -0.050 0.000 0.823 175 A CB -0.398 18.479 19.000 -0.205 0.000 0.846 175 A HN 0.480 nan 8.150 nan 0.000 0.486 176 F N -0.909 119.083 119.950 0.071 0.000 2.717 176 F HA 0.387 4.930 4.527 0.026 0.000 0.297 176 F C 0.631 176.466 175.800 0.060 0.000 1.113 176 F CA -0.076 57.964 58.000 0.067 0.000 1.319 176 F CB 0.217 39.264 39.000 0.078 0.000 1.097 176 F HN -0.020 nan 8.300 nan 0.000 0.595 177 L N 0.991 122.357 121.223 0.239 0.000 2.365 177 L HA 0.564 4.919 4.340 0.026 0.000 0.267 177 L C 0.129 177.039 176.870 0.066 0.000 1.033 177 L CA -0.927 53.994 54.840 0.135 0.000 0.802 177 L CB 1.236 43.389 42.059 0.156 0.000 1.267 177 L HN -0.047 nan 8.230 nan 0.000 0.457 178 R N 1.090 121.592 120.500 0.003 0.000 2.808 178 R HA 0.750 5.105 4.340 0.026 0.000 0.272 178 R C -1.203 175.072 176.300 -0.041 0.000 0.995 178 R CA -0.746 55.348 56.100 -0.010 0.000 0.917 178 R CB 1.610 31.895 30.300 -0.024 0.000 1.217 178 R HN 0.577 nan 8.270 nan 0.000 0.471 179 A N 0.993 123.797 122.820 -0.025 0.000 2.498 179 A HA 0.487 4.822 4.320 0.026 0.000 0.239 179 A C 1.023 178.558 177.584 -0.081 0.000 1.068 179 A CA 1.175 53.186 52.037 -0.043 0.000 0.766 179 A CB -0.655 18.334 19.000 -0.019 0.000 1.003 179 A HN 1.485 nan 8.150 nan 0.000 0.497 180 G N 1.198 109.933 108.800 -0.108 0.000 2.484 180 G HA2 -0.112 3.864 3.960 0.026 0.000 0.225 180 G HA3 -0.112 3.864 3.960 0.026 0.000 0.225 180 G C -0.369 174.415 174.900 -0.194 0.000 1.250 180 G CA -0.084 44.942 45.100 -0.124 0.000 0.926 180 G HN 0.960 nan 8.290 nan 0.000 0.581 181 E N 1.819 121.910 120.200 -0.181 0.000 2.360 181 E HA 0.337 4.702 4.350 0.026 0.000 0.269 181 E C 0.139 176.551 176.600 -0.313 0.000 1.022 181 E CA 0.052 56.302 56.400 -0.249 0.000 0.887 181 E CB 0.636 30.234 29.700 -0.170 0.000 0.990 181 E HN 0.482 nan 8.360 nan 0.000 0.426 182 N N 1.864 120.247 118.700 -0.527 0.000 2.357 182 N HA 0.356 5.112 4.740 0.026 0.000 0.284 182 N C -0.804 174.447 175.510 -0.431 0.000 1.236 182 N CA -0.660 52.063 53.050 -0.545 0.000 0.774 182 N CB 2.678 40.646 38.487 -0.865 0.000 1.534 182 N HN 0.215 nan 8.380 nan 0.000 0.478 183 R N 1.568 121.975 120.500 -0.154 0.000 2.476 183 R HA 0.478 4.833 4.340 0.026 0.000 0.305 183 R C -1.033 175.338 176.300 0.118 0.000 0.965 183 R CA -0.470 55.629 56.100 -0.001 0.000 0.867 183 R CB 0.973 31.238 30.300 -0.060 0.000 1.176 183 R HN 0.486 nan 8.270 nan 0.000 0.447 184 L N 2.832 124.182 121.223 0.211 0.000 2.343 184 L HA 0.707 5.063 4.340 0.026 0.000 0.275 184 L C -0.164 176.774 176.870 0.113 0.000 1.056 184 L CA -0.843 54.117 54.840 0.200 0.000 0.804 184 L CB 1.837 44.010 42.059 0.189 0.000 1.203 184 L HN 0.711 nan 8.230 nan 0.000 0.440 185 A N 2.807 125.711 122.820 0.140 0.000 2.353 185 A HA 0.725 5.060 4.320 0.026 0.000 0.299 185 A C -1.091 176.796 177.584 0.504 0.000 1.089 185 A CA -0.434 51.597 52.037 -0.009 0.000 0.736 185 A CB 1.540 20.038 19.000 -0.837 0.000 1.195 185 A HN 0.363 nan 8.150 nan 0.000 0.447 186 V N 3.290 123.658 119.914 0.757 0.000 2.407 186 V HA 0.480 4.615 4.120 0.026 0.000 0.291 186 V C -0.101 176.513 176.094 0.866 0.000 1.018 186 V CA -0.299 62.443 62.300 0.736 0.000 0.842 186 V CB 1.518 33.590 31.823 0.416 0.000 0.996 186 V HN 0.967 nan 8.190 nan 0.000 0.426 187 M N 5.949 126.074 119.600 0.875 0.000 2.061 187 M HA 0.584 5.080 4.480 0.026 0.000 0.346 187 M C -1.444 175.107 176.300 0.419 0.000 1.112 187 M CA -0.350 55.283 55.300 0.555 0.000 1.021 187 M CB 1.126 34.071 32.600 0.576 0.000 1.530 187 M HN 0.484 nan 8.290 nan 0.000 0.437 188 V N 6.792 126.909 119.914 0.338 0.000 2.398 188 V HA 0.418 4.553 4.120 0.026 0.000 0.286 188 V C -0.094 176.156 176.094 0.259 0.000 1.026 188 V CA -0.711 61.796 62.300 0.345 0.000 0.868 188 V CB 1.507 33.621 31.823 0.486 0.000 0.982 188 V HN 0.806 nan 8.190 nan 0.000 0.443 189 L N 4.695 126.004 121.223 0.144 0.000 2.307 189 L HA 0.521 4.877 4.340 0.026 0.000 0.282 189 L C 1.532 178.417 176.870 0.025 0.000 1.051 189 L CA -0.420 54.431 54.840 0.018 0.000 0.804 189 L CB 1.371 43.351 42.059 -0.132 0.000 1.197 189 L HN 0.656 nan 8.230 nan 0.000 0.431 190 R N 2.495 122.957 120.500 -0.063 0.000 2.066 190 R HA -0.039 4.317 4.340 0.026 0.000 0.232 190 R C -0.362 175.585 176.300 -0.588 0.000 1.131 190 R CA 1.260 57.083 56.100 -0.462 0.000 0.955 190 R CB 0.227 30.093 30.300 -0.723 0.000 0.851 190 R HN 0.565 nan 8.270 nan 0.000 0.432 191 W N -0.070 121.296 121.300 0.110 0.000 2.689 191 W HA 0.429 5.104 4.660 0.025 0.000 0.340 191 W C -0.326 176.308 176.519 0.191 0.000 1.060 191 W CA -0.762 56.655 57.345 0.120 0.000 1.218 191 W CB 1.815 31.347 29.460 0.120 0.000 1.410 191 W HN 0.030 nan 8.180 nan 0.000 0.528 192 S N -1.229 114.753 115.700 0.469 0.000 2.672 192 S HA 0.196 4.681 4.470 0.026 0.000 0.271 192 S C 0.053 174.914 174.600 0.434 0.000 1.171 192 S CA -0.382 58.111 58.200 0.487 0.000 0.817 192 S CB 1.080 64.540 63.200 0.433 0.000 1.150 192 S HN 0.627 nan 8.310 nan 0.000 0.478 193 D N 0.339 121.003 120.400 0.441 0.000 2.263 193 D HA 0.079 4.734 4.640 0.026 0.000 0.208 193 D C 1.757 178.389 176.300 0.554 0.000 0.971 193 D CA 1.162 55.479 54.000 0.529 0.000 0.867 193 D CB -0.698 40.276 40.800 0.289 0.000 0.929 193 D HN 0.702 nan 8.370 nan 0.000 0.492 194 G N 0.088 109.119 108.800 0.385 0.000 2.448 194 G HA2 -0.244 3.731 3.960 0.026 0.000 0.219 194 G HA3 -0.244 3.731 3.960 0.026 0.000 0.219 194 G C 1.687 176.777 174.900 0.317 0.000 1.127 194 G CA 0.664 45.962 45.100 0.330 0.000 0.766 194 G HN 0.310 nan 8.290 nan 0.000 0.552 195 S N -0.118 115.754 115.700 0.286 0.000 2.419 195 S HA -0.089 4.396 4.470 0.026 0.000 0.233 195 S C 1.878 176.583 174.600 0.174 0.000 1.016 195 S CA 0.591 58.930 58.200 0.231 0.000 0.974 195 S CB -0.399 62.959 63.200 0.264 0.000 0.786 195 S HN 0.550 nan 8.310 nan 0.000 0.492 196 Y N 1.293 121.740 120.300 0.244 0.000 2.333 196 Y HA 0.009 4.575 4.550 0.025 0.000 0.290 196 Y C 1.662 177.693 175.900 0.218 0.000 1.144 196 Y CA 0.765 58.937 58.100 0.119 0.000 1.228 196 Y CB -0.192 38.216 38.460 -0.088 0.000 0.985 196 Y HN 0.205 nan 8.280 nan 0.000 0.542 197 L N -0.405 121.028 121.223 0.350 0.000 2.628 197 L HA 0.101 4.457 4.340 0.026 0.000 0.229 197 L C 0.072 177.087 176.870 0.243 0.000 1.137 197 L CA 0.413 55.412 54.840 0.265 0.000 0.909 197 L CB 0.072 42.290 42.059 0.265 0.000 1.137 197 L HN 0.131 nan 8.230 nan 0.000 0.470 198 E N -0.095 120.260 120.200 0.258 0.000 3.582 198 E HA 0.037 4.403 4.350 0.026 0.000 0.217 198 E C -0.460 176.251 176.600 0.185 0.000 1.092 198 E CA -0.074 56.460 56.400 0.224 0.000 1.365 198 E CB 0.464 30.287 29.700 0.205 0.000 1.278 198 E HN 0.035 nan 8.360 nan 0.000 0.439 199 D N 1.107 121.571 120.400 0.107 0.000 2.538 199 D HA 0.023 4.678 4.640 0.026 0.000 0.234 199 D C -0.207 176.086 176.300 -0.010 0.000 1.191 199 D CA -0.082 53.871 54.000 -0.079 0.000 0.828 199 D CB 0.149 40.654 40.800 -0.491 0.000 0.981 199 D HN 0.061 nan 8.370 nan 0.000 0.490 200 Q N 0.445 120.331 119.800 0.143 0.000 2.395 200 Q HA 0.110 4.465 4.340 0.026 0.000 0.271 200 Q C -0.083 176.033 176.000 0.193 0.000 1.026 200 Q CA 0.113 56.067 55.803 0.252 0.000 0.900 200 Q CB 0.540 29.593 28.738 0.523 0.000 1.266 200 Q HN 0.052 nan 8.270 nan 0.000 0.430 201 D N 2.894 123.426 120.400 0.219 0.000 2.441 201 D HA 0.182 4.837 4.640 0.026 0.000 0.243 201 D C -0.799 175.649 176.300 0.247 0.000 1.257 201 D CA 0.134 54.239 54.000 0.176 0.000 1.027 201 D CB -0.434 40.458 40.800 0.153 0.000 1.084 201 D HN 0.501 nan 8.370 nan 0.000 0.514 202 M N 0.543 120.265 119.600 0.204 0.000 3.012 202 M HA 0.384 4.879 4.480 0.026 0.000 0.272 202 M C -1.354 175.056 176.300 0.184 0.000 1.187 202 M CA -1.145 54.213 55.300 0.097 0.000 0.813 202 M CB 1.045 33.648 32.600 0.005 0.000 1.626 202 M HN -0.091 nan 8.290 nan 0.000 0.507 203 W N 2.022 123.419 121.300 0.163 0.000 2.223 203 W HA 0.298 4.973 4.660 0.026 0.000 0.334 203 W C 0.287 176.840 176.519 0.056 0.000 1.334 203 W CA 0.016 57.452 57.345 0.152 0.000 1.246 203 W CB 0.350 29.837 29.460 0.046 0.000 1.184 203 W HN 0.309 nan 8.180 nan 0.000 0.563 204 R N 4.745 125.434 120.500 0.316 0.000 2.198 204 R HA 0.425 4.780 4.340 0.026 0.000 0.339 204 R C -0.069 176.250 176.300 0.032 0.000 1.020 204 R CA -0.234 55.967 56.100 0.169 0.000 0.864 204 R CB 0.297 30.761 30.300 0.274 0.000 1.105 204 R HN 0.554 nan 8.270 nan 0.000 0.463 205 M N 0.270 119.772 119.600 -0.164 0.000 2.777 205 M HA 0.514 5.010 4.480 0.026 0.000 0.288 205 M C -0.072 175.878 176.300 -0.583 0.000 1.181 205 M CA -0.797 54.283 55.300 -0.366 0.000 0.758 205 M CB 2.301 34.682 32.600 -0.365 0.000 1.757 205 M HN 0.666 nan 8.290 nan 0.000 0.453 206 S N -1.238 113.979 115.700 -0.805 0.000 2.611 206 S HA 0.940 5.425 4.470 0.026 0.000 0.268 206 S C -0.623 173.464 174.600 -0.855 0.000 1.156 206 S CA -0.201 57.461 58.200 -0.895 0.000 0.817 206 S CB 1.798 64.276 63.200 -1.205 0.000 1.122 206 S HN 1.425 nan 8.310 nan 0.000 0.466 207 G N -0.137 108.414 108.800 -0.416 0.000 2.331 207 G HA2 0.209 4.184 3.960 0.026 0.000 0.402 207 G HA3 0.209 4.184 3.960 0.026 0.000 0.402 207 G C -1.568 173.332 174.900 0.000 0.000 1.275 207 G CA -0.632 44.498 45.100 0.051 0.000 1.003 207 G HN 1.131 nan 8.290 nan 0.000 0.500 208 I N 2.020 122.447 120.570 -0.238 0.000 2.276 208 I HA 0.293 4.478 4.170 0.026 0.000 0.290 208 I C 1.072 177.040 176.117 -0.248 0.000 1.109 208 I CA -0.284 60.769 61.300 -0.411 0.000 1.229 208 I CB -0.043 37.453 38.000 -0.841 0.000 1.452 208 I HN 0.526 nan 8.210 nan 0.000 0.497 209 F N 4.377 124.168 119.950 -0.265 0.000 2.695 209 F HA 0.460 5.002 4.527 0.025 0.000 0.303 209 F C 0.703 176.419 175.800 -0.140 0.000 1.091 209 F CA -0.523 57.358 58.000 -0.199 0.000 1.300 209 F CB 0.138 39.025 39.000 -0.189 0.000 1.071 209 F HN 0.122 nan 8.300 nan 0.000 0.578 210 R N 0.725 120.739 120.500 -0.810 0.000 2.919 210 R HA 0.244 4.599 4.340 0.026 0.000 0.260 210 R C -0.614 175.470 176.300 -0.361 0.000 1.067 210 R CA -1.134 54.628 56.100 -0.564 0.000 1.003 210 R CB 0.757 30.654 30.300 -0.672 0.000 1.192 210 R HN -0.005 nan 8.270 nan 0.000 0.488 211 D N 0.636 120.875 120.400 -0.269 0.000 2.390 211 D HA 0.096 4.752 4.640 0.026 0.000 0.236 211 D C -0.428 175.732 176.300 -0.233 0.000 1.189 211 D CA 0.430 54.311 54.000 -0.197 0.000 0.887 211 D CB 0.731 41.448 40.800 -0.138 0.000 1.198 211 D HN -0.020 nan 8.370 nan 0.000 0.444 212 V N 0.675 120.460 119.914 -0.215 0.000 2.656 212 V HA 0.554 4.689 4.120 0.026 0.000 0.307 212 V C 0.011 175.979 176.094 -0.210 0.000 1.051 212 V CA -0.589 61.520 62.300 -0.319 0.000 0.893 212 V CB 1.792 33.420 31.823 -0.324 0.000 0.999 212 V HN 0.769 nan 8.190 nan 0.000 0.426 213 S N 4.600 120.153 115.700 -0.244 0.000 2.607 213 S HA 0.859 5.345 4.470 0.026 0.000 0.273 213 S C -1.677 172.865 174.600 -0.097 0.000 1.148 213 S CA -0.868 57.256 58.200 -0.126 0.000 0.833 213 S CB 2.168 65.332 63.200 -0.059 0.000 1.130 213 S HN 0.359 nan 8.310 nan 0.000 0.470 214 L N 1.630 122.861 121.223 0.013 0.000 2.362 214 L HA 0.713 5.068 4.340 0.026 0.000 0.275 214 L C -1.165 175.885 176.870 0.299 0.000 0.998 214 L CA -0.700 54.225 54.840 0.143 0.000 0.820 214 L CB 1.482 43.626 42.059 0.141 0.000 1.270 214 L HN 0.876 nan 8.230 nan 0.000 0.415 215 L N 4.124 125.505 121.223 0.264 0.000 2.356 215 L HA 0.494 4.849 4.340 0.026 0.000 0.277 215 L C -0.781 176.115 176.870 0.044 0.000 0.996 215 L CA -0.153 54.782 54.840 0.159 0.000 0.822 215 L CB 1.354 43.467 42.059 0.090 0.000 1.256 215 L HN 0.590 nan 8.230 nan 0.000 0.413 216 H N 5.175 124.013 119.070 -0.388 0.000 2.467 216 H HA 0.503 5.074 4.556 0.026 0.000 0.326 216 H C -1.261 173.847 175.328 -0.366 0.000 1.094 216 H CA -0.619 55.079 56.048 -0.583 0.000 1.253 216 H CB 1.231 30.163 29.762 -1.383 0.000 1.439 216 H HN 0.544 nan 8.280 nan 0.000 0.479 217 K N 5.157 125.162 120.400 -0.658 0.000 2.385 217 K HA 0.372 4.708 4.320 0.026 0.000 0.248 217 K C -2.738 173.563 176.600 -0.498 0.000 0.955 217 K CA -2.028 54.005 56.287 -0.425 0.000 0.816 217 K CB 2.199 34.530 32.500 -0.282 0.000 1.250 217 K HN 0.484 nan 8.250 nan 0.000 0.434 218 P HA 0.159 nan 4.420 nan 0.000 0.274 218 P C 0.545 177.752 177.300 -0.156 0.000 1.246 218 P CA -0.176 62.826 63.100 -0.164 0.000 0.795 218 P CB 0.491 32.148 31.700 -0.072 0.000 1.006 219 T N -1.080 113.414 114.554 -0.099 0.000 2.746 219 T HA -0.055 4.310 4.350 0.026 0.000 0.267 219 T C 0.599 175.252 174.700 -0.078 0.000 1.039 219 T CA 1.611 63.663 62.100 -0.080 0.000 1.142 219 T CB -0.605 68.237 68.868 -0.044 0.000 0.866 219 T HN 0.431 nan 8.240 nan 0.000 0.444 220 T N 3.634 118.149 114.554 -0.065 0.000 2.733 220 T HA 0.470 4.836 4.350 0.026 0.000 0.294 220 T C -0.244 174.407 174.700 -0.080 0.000 0.956 220 T CA -0.610 61.445 62.100 -0.075 0.000 0.987 220 T CB 0.719 69.560 68.868 -0.044 0.000 0.920 220 T HN 0.479 nan 8.240 nan 0.000 0.470 221 Q N 2.372 122.110 119.800 -0.104 0.000 2.534 221 Q HA 0.600 4.956 4.340 0.026 0.000 0.290 221 Q C -1.336 174.598 176.000 -0.111 0.000 0.991 221 Q CA -1.146 54.586 55.803 -0.119 0.000 0.783 221 Q CB 1.294 29.936 28.738 -0.160 0.000 1.470 221 Q HN 0.465 nan 8.270 nan 0.000 0.406 222 I N 2.467 122.942 120.570 -0.159 0.000 2.396 222 I HA 0.052 4.238 4.170 0.026 0.000 0.289 222 I C 0.789 176.799 176.117 -0.178 0.000 1.056 222 I CA -0.017 61.212 61.300 -0.119 0.000 1.365 222 I CB 1.216 39.104 38.000 -0.188 0.000 1.407 222 I HN 0.899 nan 8.210 nan 0.000 0.509 223 S N 2.674 118.389 115.700 0.025 0.000 2.502 223 S HA 0.204 4.689 4.470 0.026 0.000 0.215 223 S C 0.203 175.040 174.600 0.394 0.000 1.009 223 S CA -0.217 58.075 58.200 0.152 0.000 0.908 223 S CB 0.303 63.546 63.200 0.072 0.000 0.801 223 S HN 0.708 nan 8.310 nan 0.000 0.505 224 D N -0.297 120.327 120.400 0.373 0.000 2.683 224 D HA 0.521 5.177 4.640 0.026 0.000 0.246 224 D C -1.960 174.550 176.300 0.350 0.000 1.238 224 D CA -0.677 53.541 54.000 0.364 0.000 0.759 224 D CB 1.706 42.603 40.800 0.162 0.000 1.349 224 D HN 0.220 nan 8.370 nan 0.000 0.426 225 F N -0.616 119.410 119.950 0.128 0.000 2.654 225 F HA 0.574 5.117 4.527 0.026 0.000 0.314 225 F C -1.662 174.224 175.800 0.142 0.000 1.116 225 F CA -0.756 57.258 58.000 0.023 0.000 1.017 225 F CB 1.082 40.130 39.000 0.081 0.000 1.285 225 F HN 0.242 nan 8.300 nan 0.000 0.448 226 H N 2.220 121.344 119.070 0.090 0.000 2.529 226 H HA 0.759 5.330 4.556 0.026 0.000 0.348 226 H C -1.250 174.109 175.328 0.052 0.000 1.079 226 H CA -1.525 54.512 56.048 -0.019 0.000 1.198 226 H CB 2.652 32.394 29.762 -0.034 0.000 1.521 226 H HN 0.607 nan 8.280 nan 0.000 0.514 227 V N 2.145 122.143 119.914 0.140 0.000 2.495 227 V HA 0.694 4.829 4.120 0.026 0.000 0.298 227 V C -0.190 175.894 176.094 -0.017 0.000 1.031 227 V CA -0.604 61.735 62.300 0.065 0.000 0.871 227 V CB 1.373 33.226 31.823 0.050 0.000 0.988 227 V HN 0.932 nan 8.190 nan 0.000 0.432 228 A N 3.040 125.825 122.820 -0.058 0.000 2.454 228 A HA 0.957 5.293 4.320 0.026 0.000 0.302 228 A C -0.214 177.262 177.584 -0.181 0.000 1.079 228 A CA -0.515 51.469 52.037 -0.089 0.000 0.731 228 A CB 2.082 21.053 19.000 -0.048 0.000 1.299 228 A HN 0.944 nan 8.150 nan 0.000 0.413 229 T N -0.516 113.913 114.554 -0.208 0.000 2.881 229 T HA 0.706 5.071 4.350 0.026 0.000 0.291 229 T C -0.446 174.043 174.700 -0.352 0.000 0.990 229 T CA -0.808 61.073 62.100 -0.366 0.000 0.976 229 T CB 1.050 69.576 68.868 -0.570 0.000 0.970 229 T HN 1.020 nan 8.240 nan 0.000 0.438 230 R N 1.865 122.092 120.500 -0.455 0.000 2.778 230 R HA 0.850 5.205 4.340 0.026 0.000 0.277 230 R C -1.624 174.299 176.300 -0.629 0.000 0.977 230 R CA -0.952 54.951 56.100 -0.328 0.000 0.950 230 R CB 1.293 31.520 30.300 -0.121 0.000 1.165 230 R HN 0.484 nan 8.270 nan 0.000 0.474 231 F N 0.318 120.257 119.950 -0.018 0.000 2.620 231 F HA 0.362 4.903 4.527 0.024 0.000 0.320 231 F C 0.303 175.978 175.800 -0.208 0.000 1.069 231 F CA -1.028 56.907 58.000 -0.108 0.000 0.953 231 F CB 1.431 40.287 39.000 -0.240 0.000 1.322 231 F HN 0.712 nan 8.300 nan 0.000 0.479 232 N N 0.060 118.747 118.700 -0.022 0.000 2.366 232 N HA 0.040 4.796 4.740 0.026 0.000 0.277 232 N C 0.468 175.843 175.510 -0.225 0.000 1.275 232 N CA -0.032 52.965 53.050 -0.088 0.000 0.964 232 N CB 0.009 38.470 38.487 -0.043 0.000 1.167 232 N HN 0.677 nan 8.380 nan 0.000 0.568 233 D N -1.326 118.983 120.400 -0.151 0.000 2.144 233 D HA -0.220 4.436 4.640 0.026 0.000 0.199 233 D C 0.427 176.619 176.300 -0.180 0.000 0.984 233 D CA 1.481 55.383 54.000 -0.164 0.000 0.834 233 D CB -0.542 40.224 40.800 -0.055 0.000 0.955 233 D HN 0.727 nan 8.370 nan 0.000 0.465 234 D N -1.485 118.864 120.400 -0.085 0.000 2.462 234 D HA 0.014 4.669 4.640 0.026 0.000 0.221 234 D C 0.069 176.509 176.300 0.233 0.000 1.173 234 D CA -0.873 53.185 54.000 0.096 0.000 0.831 234 D CB -0.893 39.975 40.800 0.112 0.000 1.001 234 D HN 0.202 nan 8.370 nan 0.000 0.499 235 F N 0.217 120.225 119.950 0.097 0.000 2.884 235 F HA -0.279 4.262 4.527 0.023 0.000 0.294 235 F C 1.593 177.475 175.800 0.138 0.000 0.723 235 F CA 0.777 58.843 58.000 0.110 0.000 1.294 235 F CB -2.544 36.405 39.000 -0.086 0.000 1.551 235 F HN 0.197 nan 8.300 nan 0.000 0.363 236 S N -0.875 114.934 115.700 0.182 0.000 2.548 236 S HA 0.295 4.780 4.470 0.026 0.000 0.215 236 S C 0.602 175.262 174.600 0.100 0.000 0.976 236 S CA -0.077 58.203 58.200 0.133 0.000 0.908 236 S CB 0.342 63.595 63.200 0.089 0.000 0.781 236 S HN 0.461 nan 8.310 nan 0.000 0.519 237 R N 0.210 120.775 120.500 0.109 0.000 2.651 237 R HA 0.828 5.183 4.340 0.026 0.000 0.278 237 R C -1.263 175.070 176.300 0.056 0.000 1.010 237 R CA -0.535 55.595 56.100 0.050 0.000 0.896 237 R CB 2.081 32.386 30.300 0.009 0.000 1.211 237 R HN 0.202 nan 8.270 nan 0.000 0.456 238 A N 1.462 124.255 122.820 -0.045 0.000 2.566 238 A HA 0.779 5.114 4.320 0.026 0.000 0.292 238 A C -1.334 176.171 177.584 -0.133 0.000 1.112 238 A CA -0.731 51.185 52.037 -0.202 0.000 0.707 238 A CB 2.187 21.039 19.000 -0.247 0.000 1.302 238 A HN 0.328 nan 8.150 nan 0.000 0.409 239 V N 1.229 121.037 119.914 -0.177 0.000 2.483 239 V HA 0.429 4.564 4.120 0.026 0.000 0.297 239 V C -0.615 175.411 176.094 -0.114 0.000 1.027 239 V CA -0.341 61.897 62.300 -0.103 0.000 0.855 239 V CB 1.468 33.233 31.823 -0.096 0.000 0.995 239 V HN 0.812 nan 8.190 nan 0.000 0.424 240 L N 4.788 125.979 121.223 -0.054 0.000 2.265 240 L HA 0.604 4.959 4.340 0.026 0.000 0.288 240 L C 0.085 176.908 176.870 -0.078 0.000 1.058 240 L CA 0.040 54.817 54.840 -0.104 0.000 0.809 240 L CB 0.972 43.000 42.059 -0.053 0.000 1.179 240 L HN 0.832 nan 8.230 nan 0.000 0.429 241 E N 5.189 125.339 120.200 -0.083 0.000 2.165 241 E HA 0.606 4.971 4.350 0.026 0.000 0.266 241 E C -1.560 175.028 176.600 -0.020 0.000 0.889 241 E CA -0.835 55.536 56.400 -0.048 0.000 0.756 241 E CB 1.753 31.427 29.700 -0.043 0.000 1.131 241 E HN 0.718 nan 8.360 nan 0.000 0.411 242 A N 4.829 127.646 122.820 -0.005 0.000 2.285 242 A HA 0.279 4.614 4.320 0.026 0.000 0.310 242 A C -0.536 177.057 177.584 0.014 0.000 1.266 242 A CA -0.683 51.375 52.037 0.034 0.000 0.832 242 A CB 0.961 19.987 19.000 0.042 0.000 1.163 242 A HN 0.763 nan 8.150 nan 0.000 0.499 243 E N 2.734 122.943 120.200 0.016 0.000 2.167 243 E HA 0.506 4.871 4.350 0.026 0.000 0.284 243 E C -1.263 175.303 176.600 -0.055 0.000 1.016 243 E CA -0.319 56.050 56.400 -0.052 0.000 0.817 243 E CB 1.008 30.638 29.700 -0.117 0.000 1.080 243 E HN 0.379 nan 8.360 nan 0.000 0.397 244 V N 5.014 124.915 119.914 -0.022 0.000 2.495 244 V HA 0.284 4.420 4.120 0.026 0.000 0.298 244 V C -0.322 175.838 176.094 0.110 0.000 1.031 244 V CA -0.772 61.560 62.300 0.054 0.000 0.871 244 V CB 1.622 33.452 31.823 0.012 0.000 0.988 244 V HN 0.738 nan 8.190 nan 0.000 0.432 245 Q N 4.160 124.032 119.800 0.120 0.000 2.345 245 Q HA 0.840 5.196 4.340 0.026 0.000 0.268 245 Q C -0.810 175.264 176.000 0.122 0.000 1.054 245 Q CA -0.900 54.970 55.803 0.112 0.000 0.835 245 Q CB 2.695 31.437 28.738 0.007 0.000 1.339 245 Q HN 0.809 nan 8.270 nan 0.000 0.447 246 M N -0.943 118.653 119.600 -0.005 0.000 2.690 246 M HA 0.755 5.251 4.480 0.026 0.000 0.302 246 M C -1.434 174.773 176.300 -0.154 0.000 1.234 246 M CA -0.544 54.674 55.300 -0.137 0.000 0.853 246 M CB 1.623 33.956 32.600 -0.445 0.000 1.748 246 M HN 0.546 nan 8.290 nan 0.000 0.469 247 C N 0.742 119.960 119.300 -0.138 0.000 2.707 247 C HA 1.028 5.504 4.460 0.026 0.000 0.313 247 C C 0.660 175.570 174.990 -0.133 0.000 1.209 247 C CA 0.640 59.593 59.018 -0.110 0.000 1.635 247 C CB 1.066 28.770 27.740 -0.060 0.000 2.206 247 C HN 1.455 nan 8.230 nan 0.000 0.485 248 G N 1.676 110.410 108.800 -0.110 0.000 2.500 248 G HA2 -0.040 3.935 3.960 0.026 0.000 0.209 248 G HA3 -0.040 3.935 3.960 0.026 0.000 0.209 248 G C -0.850 173.978 174.900 -0.119 0.000 1.283 248 G CA -0.248 44.792 45.100 -0.101 0.000 0.960 248 G HN 0.965 nan 8.290 nan 0.000 0.528 249 E N 0.140 120.278 120.200 -0.102 0.000 2.194 249 E HA 0.446 4.811 4.350 0.026 0.000 0.284 249 E C 0.522 177.021 176.600 -0.170 0.000 1.035 249 E CA -0.596 55.736 56.400 -0.112 0.000 0.836 249 E CB 0.296 29.955 29.700 -0.068 0.000 1.070 249 E HN 0.474 nan 8.360 nan 0.000 0.401 250 L N 5.408 126.518 121.223 -0.188 0.000 2.513 250 L HA 0.137 4.492 4.340 0.026 0.000 0.272 250 L C 0.315 177.048 176.870 -0.227 0.000 1.187 250 L CA 0.296 54.999 54.840 -0.229 0.000 0.895 250 L CB 0.081 42.031 42.059 -0.182 0.000 1.147 250 L HN 0.466 nan 8.230 nan 0.000 0.483 251 R N 2.098 122.403 120.500 -0.325 0.000 2.673 251 R HA 0.183 4.539 4.340 0.026 0.000 0.281 251 R C -0.111 175.926 176.300 -0.438 0.000 0.991 251 R CA -0.840 54.969 56.100 -0.485 0.000 0.896 251 R CB 1.468 31.106 30.300 -1.104 0.000 1.201 251 R HN 0.448 nan 8.270 nan 0.000 0.457 252 D N 0.788 121.018 120.400 -0.284 0.000 2.263 252 D HA -0.127 4.528 4.640 0.026 0.000 0.208 252 D C 1.367 177.596 176.300 -0.119 0.000 0.971 252 D CA 1.329 55.247 54.000 -0.136 0.000 0.867 252 D CB 0.117 40.894 40.800 -0.038 0.000 0.929 252 D HN 0.561 nan 8.370 nan 0.000 0.492 253 Y N -0.856 119.453 120.300 0.016 0.000 2.529 253 Y HA 0.282 4.847 4.550 0.026 0.000 0.290 253 Y C 0.509 176.409 175.900 -0.000 0.000 1.177 253 Y CA -0.421 57.684 58.100 0.009 0.000 1.305 253 Y CB -0.952 37.515 38.460 0.011 0.000 1.047 253 Y HN -0.203 nan 8.280 nan 0.000 0.522 254 L N 2.353 123.494 121.223 -0.136 0.000 2.452 254 L HA 0.349 4.704 4.340 0.026 0.000 0.267 254 L C 0.277 177.122 176.870 -0.042 0.000 1.188 254 L CA -0.243 54.604 54.840 0.011 0.000 0.821 254 L CB 0.516 42.617 42.059 0.071 0.000 1.102 254 L HN 0.149 nan 8.230 nan 0.000 0.470 255 R N 1.348 121.714 120.500 -0.225 0.000 2.774 255 R HA 0.656 5.011 4.340 0.026 0.000 0.272 255 R C -1.554 174.394 176.300 -0.587 0.000 1.000 255 R CA -0.818 55.002 56.100 -0.466 0.000 0.906 255 R CB 2.138 32.034 30.300 -0.674 0.000 1.227 255 R HN 0.264 nan 8.270 nan 0.000 0.468 256 V N 1.166 120.790 119.914 -0.484 0.000 2.540 256 V HA 0.452 4.587 4.120 0.026 0.000 0.302 256 V C -0.292 175.756 176.094 -0.077 0.000 1.035 256 V CA -0.498 61.619 62.300 -0.305 0.000 0.873 256 V CB 2.217 33.778 31.823 -0.437 0.000 0.992 256 V HN 0.711 nan 8.190 nan 0.000 0.428 257 T N 4.344 118.967 114.554 0.115 0.000 2.792 257 T HA 0.612 4.977 4.350 0.026 0.000 0.280 257 T C -0.569 174.142 174.700 0.018 0.000 0.990 257 T CA -0.350 61.814 62.100 0.107 0.000 0.960 257 T CB 1.573 70.525 68.868 0.140 0.000 0.939 257 T HN 0.343 nan 8.240 nan 0.000 0.439 258 V N 3.841 123.748 119.914 -0.011 0.000 2.448 258 V HA 0.676 4.811 4.120 0.026 0.000 0.295 258 V C -0.023 176.068 176.094 -0.004 0.000 1.025 258 V CA -0.826 61.465 62.300 -0.016 0.000 0.859 258 V CB 1.674 33.478 31.823 -0.031 0.000 0.988 258 V HN 1.037 nan 8.190 nan 0.000 0.431 259 S N 5.243 120.964 115.700 0.034 0.000 2.513 259 S HA 0.870 5.355 4.470 0.026 0.000 0.299 259 S C -1.134 173.501 174.600 0.059 0.000 1.087 259 S CA -0.758 57.444 58.200 0.004 0.000 1.012 259 S CB 2.137 65.368 63.200 0.052 0.000 1.044 259 S HN 0.570 nan 8.310 nan 0.000 0.485 260 L N 2.487 123.650 121.223 -0.099 0.000 2.362 260 L HA 0.820 5.175 4.340 0.026 0.000 0.275 260 L C -1.983 174.828 176.870 -0.097 0.000 0.998 260 L CA -0.301 54.575 54.840 0.060 0.000 0.820 260 L CB 1.047 43.154 42.059 0.081 0.000 1.270 260 L HN 0.910 nan 8.230 nan 0.000 0.415 261 W N 3.619 125.024 121.300 0.175 0.000 2.844 261 W HA 0.584 5.260 4.660 0.025 0.000 0.340 261 W C -0.570 176.039 176.519 0.150 0.000 1.093 261 W CA -0.477 56.946 57.345 0.129 0.000 1.212 261 W CB 1.452 30.941 29.460 0.047 0.000 1.422 261 W HN 0.338 nan 8.180 nan 0.000 0.515 262 Q N 2.553 122.510 119.800 0.262 0.000 2.454 262 Q HA 0.460 4.815 4.340 0.026 0.000 0.255 262 Q C 0.542 176.555 176.000 0.021 0.000 1.034 262 Q CA 0.533 56.297 55.803 -0.065 0.000 0.736 262 Q CB 0.923 29.499 28.738 -0.271 0.000 1.210 262 Q HN 0.824 nan 8.270 nan 0.000 0.500 263 G N 3.751 112.566 108.800 0.024 0.000 2.527 263 G HA2 -0.300 3.675 3.960 0.026 0.000 0.268 263 G HA3 -0.300 3.675 3.960 0.026 0.000 0.268 263 G C 0.340 175.309 174.900 0.115 0.000 1.175 263 G CA 0.191 45.311 45.100 0.033 0.000 0.962 263 G HN 0.593 nan 8.290 nan 0.000 0.560 264 E N 1.372 121.633 120.200 0.102 0.000 2.476 264 E HA 0.171 4.536 4.350 0.026 0.000 0.191 264 E C 0.394 177.176 176.600 0.303 0.000 1.064 264 E CA 0.684 57.170 56.400 0.145 0.000 0.866 264 E CB -0.147 29.587 29.700 0.055 0.000 0.952 264 E HN 0.421 nan 8.360 nan 0.000 0.492 265 T N 0.795 115.518 114.554 0.283 0.000 2.767 265 T HA 0.181 4.546 4.350 0.026 0.000 0.284 265 T C -0.079 174.673 174.700 0.087 0.000 0.973 265 T CA -0.420 61.787 62.100 0.178 0.000 0.996 265 T CB 1.938 70.846 68.868 0.065 0.000 0.927 265 T HN 0.003 nan 8.240 nan 0.000 0.456 266 Q N 2.977 122.631 119.800 -0.244 0.000 2.307 266 Q HA 0.261 4.616 4.340 0.026 0.000 0.259 266 Q C 0.389 176.165 176.000 -0.374 0.000 0.998 266 Q CA -0.295 55.053 55.803 -0.758 0.000 0.923 266 Q CB 0.735 28.738 28.738 -1.224 0.000 1.196 266 Q HN 0.555 nan 8.270 nan 0.000 0.416 267 V N 2.950 122.694 119.914 -0.284 0.000 2.599 267 V HA 0.214 4.350 4.120 0.026 0.000 0.245 267 V C 0.360 176.364 176.094 -0.150 0.000 1.046 267 V CA 1.361 63.588 62.300 -0.122 0.000 1.065 267 V CB 0.334 32.177 31.823 0.034 0.000 0.703 267 V HN 0.812 nan 8.190 nan 0.000 0.464 268 A N -1.386 121.312 122.820 -0.204 0.000 2.601 268 A HA 0.776 5.111 4.320 0.026 0.000 0.291 268 A C -0.805 176.673 177.584 -0.177 0.000 1.075 268 A CA 0.064 52.008 52.037 -0.154 0.000 0.671 268 A CB 1.865 20.810 19.000 -0.091 0.000 1.277 268 A HN 0.080 nan 8.150 nan 0.000 0.417 269 S N -1.140 114.485 115.700 -0.125 0.000 2.543 269 S HA 0.773 5.258 4.470 0.026 0.000 0.274 269 S C -0.622 173.938 174.600 -0.066 0.000 1.149 269 S CA 0.246 58.384 58.200 -0.103 0.000 0.866 269 S CB 1.590 64.718 63.200 -0.121 0.000 1.111 269 S HN 2.372 nan 8.310 nan 0.000 0.457 270 G N 1.606 110.379 108.800 -0.047 0.000 2.706 270 G HA2 0.666 4.641 3.960 0.026 0.000 0.297 270 G HA3 0.666 4.641 3.960 0.026 0.000 0.297 270 G C -1.355 173.530 174.900 -0.026 0.000 1.403 270 G CA -0.411 44.666 45.100 -0.038 0.000 0.954 270 G HN 0.732 nan 8.290 nan 0.000 0.500 271 T N -0.367 114.174 114.554 -0.021 0.000 2.906 271 T HA 0.887 5.252 4.350 0.026 0.000 0.295 271 T C -0.391 174.277 174.700 -0.053 0.000 1.061 271 T CA 0.004 62.097 62.100 -0.011 0.000 1.000 271 T CB 1.918 70.817 68.868 0.053 0.000 1.103 271 T HN 1.674 nan 8.240 nan 0.000 0.486 272 A N 2.621 125.376 122.820 -0.108 0.000 2.608 272 A HA 0.865 5.200 4.320 0.026 0.000 0.292 272 A C -3.160 174.292 177.584 -0.221 0.000 1.066 272 A CA -1.479 50.477 52.037 -0.135 0.000 0.676 272 A CB 1.141 20.059 19.000 -0.137 0.000 1.277 272 A HN 0.532 nan 8.150 nan 0.000 0.413 273 P HA 0.550 nan 4.420 nan 0.000 0.278 273 P C -0.564 176.624 177.300 -0.186 0.000 1.258 273 P CA -0.250 62.761 63.100 -0.148 0.000 0.811 273 P CB 0.341 32.013 31.700 -0.047 0.000 1.063 274 F N 0.053 119.958 119.950 -0.074 0.000 2.444 274 F HA 0.467 5.009 4.527 0.025 0.000 0.331 274 F C 1.489 177.268 175.800 -0.036 0.000 1.167 274 F CA 1.534 59.501 58.000 -0.055 0.000 1.262 274 F CB 0.212 39.174 39.000 -0.063 0.000 1.196 274 F HN 0.581 nan 8.300 nan 0.000 0.583 275 G N 1.354 110.280 108.800 0.210 0.000 2.951 275 G HA2 0.349 4.324 3.960 0.026 0.000 0.508 275 G HA3 0.349 4.324 3.960 0.026 0.000 0.508 275 G C -0.553 174.399 174.900 0.087 0.000 1.203 275 G CA -0.759 44.414 45.100 0.122 0.000 1.209 275 G HN 1.026 nan 8.290 nan 0.000 0.552 276 G N 0.820 109.691 108.800 0.118 0.000 2.537 276 G HA2 0.706 4.681 3.960 0.026 0.000 0.273 276 G HA3 0.706 4.681 3.960 0.026 0.000 0.273 276 G C 0.489 175.434 174.900 0.076 0.000 1.189 276 G CA 0.042 45.204 45.100 0.104 0.000 0.881 276 G HN 1.160 nan 8.290 nan 0.000 0.535 277 E N -0.290 119.946 120.200 0.060 0.000 2.442 277 E HA 0.069 4.434 4.350 0.026 0.000 0.260 277 E C -0.214 176.412 176.600 0.043 0.000 1.148 277 E CA -0.693 55.732 56.400 0.041 0.000 0.976 277 E CB 0.489 30.209 29.700 0.032 0.000 0.967 277 E HN 0.083 nan 8.360 nan 0.000 0.454 278 I N 2.064 122.646 120.570 0.021 0.000 2.683 278 I HA -0.135 4.050 4.170 0.026 0.000 0.286 278 I C 1.035 177.162 176.117 0.016 0.000 1.175 278 I CA -0.005 61.299 61.300 0.008 0.000 1.429 278 I CB -0.046 37.954 38.000 -0.001 0.000 1.371 278 I HN 0.670 nan 8.210 nan 0.000 0.569 279 I N 4.126 124.699 120.570 0.005 0.000 3.039 279 I HA 0.062 4.247 4.170 0.026 0.000 0.270 279 I C 0.639 176.756 176.117 -0.000 0.000 1.150 279 I CA 0.881 62.193 61.300 0.020 0.000 1.448 279 I CB -0.570 37.440 38.000 0.016 0.000 1.197 279 I HN 0.656 nan 8.210 nan 0.000 0.450 280 D N -1.340 119.046 120.400 -0.024 0.000 3.103 280 D HA 0.104 4.760 4.640 0.026 0.000 0.337 280 D C 0.454 176.738 176.300 -0.027 0.000 1.356 280 D CA -0.403 53.584 54.000 -0.021 0.000 0.951 280 D CB 0.502 41.289 40.800 -0.021 0.000 1.438 280 D HN -0.262 nan 8.370 nan 0.000 0.562 281 E N -1.014 119.172 120.200 -0.024 0.000 2.267 281 E HA -0.043 4.322 4.350 0.026 0.000 0.197 281 E C 1.407 177.988 176.600 -0.032 0.000 0.998 281 E CA 1.011 57.397 56.400 -0.023 0.000 0.830 281 E CB -0.013 29.676 29.700 -0.018 0.000 0.751 281 E HN 0.203 nan 8.360 nan 0.000 0.491 282 R N -0.384 120.089 120.500 -0.046 0.000 2.317 282 R HA 0.286 4.642 4.340 0.026 0.000 0.208 282 R C 0.810 177.069 176.300 -0.070 0.000 0.914 282 R CA 0.724 56.789 56.100 -0.057 0.000 1.060 282 R CB 0.663 30.922 30.300 -0.069 0.000 1.015 282 R HN 0.209 nan 8.270 nan 0.000 0.498 283 G N -0.751 108.009 108.800 -0.067 0.000 2.295 283 G HA2 -0.041 3.935 3.960 0.026 0.000 0.195 283 G HA3 -0.041 3.935 3.960 0.026 0.000 0.195 283 G C -0.377 174.470 174.900 -0.090 0.000 1.269 283 G CA -0.628 44.432 45.100 -0.068 0.000 1.170 283 G HN 0.429 nan 8.290 nan 0.000 0.511 284 G N -1.958 106.786 108.800 -0.094 0.000 3.176 284 G HA2 0.642 4.617 3.960 0.026 0.000 0.272 284 G HA3 0.642 4.617 3.960 0.026 0.000 0.272 284 G C -1.565 173.230 174.900 -0.174 0.000 1.349 284 G CA -0.767 44.279 45.100 -0.090 0.000 0.953 284 G HN 0.749 nan 8.290 nan 0.000 0.559 285 Y N 0.984 121.293 120.300 0.015 0.000 2.504 285 Y HA 0.420 4.985 4.550 0.025 0.000 0.351 285 Y C 1.427 177.344 175.900 0.029 0.000 0.988 285 Y CA 0.132 58.243 58.100 0.018 0.000 1.239 285 Y CB 1.698 40.174 38.460 0.026 0.000 1.128 285 Y HN 0.534 nan 8.280 nan 0.000 0.525 286 A N 1.792 124.673 122.820 0.102 0.000 2.119 286 A HA -0.124 4.212 4.320 0.026 0.000 0.217 286 A C 1.358 178.992 177.584 0.083 0.000 1.153 286 A CA 1.233 53.315 52.037 0.075 0.000 0.692 286 A CB -0.249 18.757 19.000 0.010 0.000 0.799 286 A HN 0.788 nan 8.150 nan 0.000 0.458 287 D N -0.545 119.904 120.400 0.081 0.000 2.395 287 D HA 0.135 4.790 4.640 0.026 0.000 0.226 287 D C 0.426 176.788 176.300 0.104 0.000 1.146 287 D CA -0.048 53.922 54.000 -0.050 0.000 0.830 287 D CB -0.073 40.684 40.800 -0.072 0.000 0.958 287 D HN 0.430 nan 8.370 nan 0.000 0.501 288 R N -1.071 119.616 120.500 0.312 0.000 2.799 288 R HA 0.751 5.106 4.340 0.026 0.000 0.270 288 R C -1.625 174.852 176.300 0.294 0.000 1.010 288 R CA -1.155 55.140 56.100 0.325 0.000 0.916 288 R CB 2.817 33.169 30.300 0.086 0.000 1.228 288 R HN -0.029 nan 8.270 nan 0.000 0.469 289 V N 0.204 120.177 119.914 0.098 0.000 3.048 289 V HA 0.504 4.640 4.120 0.026 0.000 0.303 289 V C -1.523 174.530 176.094 -0.069 0.000 1.214 289 V CA -0.314 61.953 62.300 -0.055 0.000 0.984 289 V CB 2.789 34.451 31.823 -0.268 0.000 1.054 289 V HN 0.823 nan 8.190 nan 0.000 0.430 290 T N 7.179 121.699 114.554 -0.057 0.000 2.786 290 T HA 0.577 4.942 4.350 0.026 0.000 0.283 290 T C -0.847 173.818 174.700 -0.058 0.000 0.992 290 T CA -0.392 61.679 62.100 -0.049 0.000 0.954 290 T CB 0.989 69.841 68.868 -0.026 0.000 0.934 290 T HN 0.425 nan 8.240 nan 0.000 0.440 291 L N 3.850 125.038 121.223 -0.059 0.000 2.309 291 L HA 0.572 4.927 4.340 0.026 0.000 0.282 291 L C 0.463 177.307 176.870 -0.043 0.000 1.036 291 L CA -0.382 54.424 54.840 -0.057 0.000 0.806 291 L CB 1.277 43.300 42.059 -0.060 0.000 1.220 291 L HN 0.547 nan 8.230 nan 0.000 0.429 292 R N 4.616 125.091 120.500 -0.042 0.000 2.476 292 R HA 0.673 5.028 4.340 0.026 0.000 0.305 292 R C -1.213 175.063 176.300 -0.040 0.000 0.965 292 R CA -0.727 55.349 56.100 -0.040 0.000 0.867 292 R CB 2.149 32.425 30.300 -0.039 0.000 1.176 292 R HN 0.477 nan 8.270 nan 0.000 0.447 293 L N 2.862 124.062 121.223 -0.038 0.000 2.356 293 L HA 0.435 4.790 4.340 0.026 0.000 0.277 293 L C -0.430 176.419 176.870 -0.035 0.000 0.996 293 L CA -1.027 53.791 54.840 -0.036 0.000 0.822 293 L CB 2.024 44.066 42.059 -0.027 0.000 1.256 293 L HN 0.528 nan 8.230 nan 0.000 0.413 294 N N 1.633 120.307 118.700 -0.043 0.000 2.488 294 N HA 0.398 5.154 4.740 0.026 0.000 0.274 294 N C -0.987 174.485 175.510 -0.063 0.000 1.111 294 N CA -0.264 52.756 53.050 -0.050 0.000 0.974 294 N CB 1.683 40.142 38.487 -0.047 0.000 1.089 294 N HN 0.215 nan 8.380 nan 0.000 0.465 295 V N 1.866 121.731 119.914 -0.082 0.000 2.443 295 V HA 0.266 4.401 4.120 0.026 0.000 0.293 295 V C -0.381 175.638 176.094 -0.125 0.000 1.021 295 V CA -0.851 61.362 62.300 -0.144 0.000 0.848 295 V CB 1.366 33.013 31.823 -0.294 0.000 0.998 295 V HN 0.571 nan 8.190 nan 0.000 0.424 296 E N 2.851 123.000 120.200 -0.085 0.000 2.266 296 E HA 0.331 4.697 4.350 0.026 0.000 0.277 296 E C 0.176 176.751 176.600 -0.040 0.000 1.018 296 E CA -0.496 55.877 56.400 -0.046 0.000 0.840 296 E CB 0.790 30.473 29.700 -0.028 0.000 1.082 296 E HN 0.750 nan 8.360 nan 0.000 0.395 297 N N 1.203 119.900 118.700 -0.006 0.000 2.688 297 N HA -0.150 4.606 4.740 0.026 0.000 0.258 297 N C -2.490 173.019 175.510 -0.002 0.000 1.016 297 N CA 0.132 53.193 53.050 0.019 0.000 0.747 297 N CB -1.015 37.486 38.487 0.024 0.000 0.895 297 N HN 0.293 nan 8.380 nan 0.000 0.543 298 P HA 0.012 nan 4.420 nan 0.000 0.269 298 P C -0.405 176.921 177.300 0.044 0.000 1.209 298 P CA 0.301 63.302 63.100 -0.164 0.000 0.776 298 P CB 0.732 32.166 31.700 -0.443 0.000 0.876 299 K N 2.551 123.058 120.400 0.178 0.000 2.316 299 K HA 0.277 4.612 4.320 0.026 0.000 0.289 299 K C 0.216 176.972 176.600 0.259 0.000 1.070 299 K CA -0.359 56.038 56.287 0.182 0.000 0.928 299 K CB 0.138 32.726 32.500 0.147 0.000 1.039 299 K HN 0.415 nan 8.250 nan 0.000 0.480 300 L N 2.644 123.954 121.223 0.144 0.000 2.395 300 L HA 0.264 4.619 4.340 0.026 0.000 0.269 300 L C 0.026 176.981 176.870 0.142 0.000 1.133 300 L CA -0.721 54.206 54.840 0.146 0.000 0.812 300 L CB 0.392 42.379 42.059 -0.119 0.000 1.125 300 L HN 0.610 nan 8.230 nan 0.000 0.452 301 W N 3.207 124.543 121.300 0.060 0.000 2.376 301 W HA 0.465 5.139 4.660 0.024 0.000 0.322 301 W C 0.010 176.477 176.519 -0.086 0.000 1.160 301 W CA 0.095 57.459 57.345 0.031 0.000 1.218 301 W CB 1.300 30.834 29.460 0.122 0.000 1.205 301 W HN 0.612 nan 8.180 nan 0.000 0.559 302 S N 2.890 118.052 115.700 -0.896 0.000 2.643 302 S HA 0.647 5.133 4.470 0.026 0.000 0.270 302 S C 0.068 173.896 174.600 -1.287 0.000 1.166 302 S CA -0.372 57.344 58.200 -0.806 0.000 0.815 302 S CB 1.146 64.132 63.200 -0.357 0.000 1.139 302 S HN 0.989 nan 8.310 nan 0.000 0.472 303 A N 0.362 122.598 122.820 -0.974 0.000 2.066 303 A HA 0.085 4.420 4.320 0.026 0.000 0.218 303 A C 1.741 179.001 177.584 -0.540 0.000 1.157 303 A CA 1.344 52.809 52.037 -0.953 0.000 0.670 303 A CB -0.917 17.399 19.000 -1.139 0.000 0.804 303 A HN 0.868 nan 8.150 nan 0.000 0.453 304 E N -0.665 119.348 120.200 -0.311 0.000 2.072 304 E HA 0.038 4.403 4.350 0.026 0.000 0.190 304 E C -0.147 176.305 176.600 -0.247 0.000 0.982 304 E CA 0.728 56.998 56.400 -0.216 0.000 0.803 304 E CB 0.015 29.709 29.700 -0.009 0.000 0.755 304 E HN 0.566 nan 8.360 nan 0.000 0.453 305 I N 1.812 122.214 120.570 -0.280 0.000 2.583 305 I HA 0.157 4.342 4.170 0.026 0.000 0.276 305 I C -2.492 173.403 176.117 -0.369 0.000 1.089 305 I CA -1.800 59.358 61.300 -0.236 0.000 1.103 305 I CB 2.123 40.036 38.000 -0.144 0.000 1.209 305 I HN -0.203 nan 8.210 nan 0.000 0.484 306 P HA 0.092 nan 4.420 nan 0.000 0.220 306 P C -0.513 176.786 177.300 -0.001 0.000 1.806 306 P CA -0.252 62.554 63.100 -0.490 0.000 0.976 306 P CB -0.269 31.296 31.700 -0.226 0.000 1.952 307 N N 1.654 120.371 118.700 0.028 0.000 2.454 307 N HA 0.119 4.875 4.740 0.026 0.000 0.260 307 N C 0.056 175.783 175.510 0.361 0.000 1.218 307 N CA 0.463 53.600 53.050 0.145 0.000 0.904 307 N CB 0.829 39.395 38.487 0.133 0.000 1.065 307 N HN 0.295 nan 8.380 nan 0.000 0.462 308 L N 2.390 123.745 121.223 0.220 0.000 2.401 308 L HA 0.455 4.810 4.340 0.026 0.000 0.266 308 L C -0.835 176.115 176.870 0.133 0.000 0.991 308 L CA -0.857 54.157 54.840 0.291 0.000 0.818 308 L CB 1.275 43.471 42.059 0.229 0.000 1.321 308 L HN 0.385 nan 8.230 nan 0.000 0.413 309 Y N 0.511 120.967 120.300 0.260 0.000 2.602 309 Y HA 0.661 5.227 4.550 0.026 0.000 0.330 309 Y C -0.081 175.941 175.900 0.203 0.000 1.114 309 Y CA -0.847 57.406 58.100 0.255 0.000 1.182 309 Y CB 1.495 40.175 38.460 0.367 0.000 1.305 309 Y HN 0.387 nan 8.280 nan 0.000 0.502 310 R N 1.001 121.728 120.500 0.379 0.000 2.393 310 R HA 0.780 5.136 4.340 0.026 0.000 0.315 310 R C -1.585 174.902 176.300 0.311 0.000 0.952 310 R CA -0.520 55.737 56.100 0.261 0.000 0.842 310 R CB 0.987 31.372 30.300 0.142 0.000 1.163 310 R HN 0.742 nan 8.270 nan 0.000 0.450 311 A N 4.030 126.978 122.820 0.214 0.000 2.276 311 A HA 0.582 4.917 4.320 0.026 0.000 0.316 311 A C -0.947 176.698 177.584 0.102 0.000 1.229 311 A CA -0.621 51.520 52.037 0.175 0.000 0.851 311 A CB 1.113 20.185 19.000 0.120 0.000 1.165 311 A HN 0.495 nan 8.150 nan 0.000 0.513 312 V N 3.667 123.646 119.914 0.110 0.000 2.417 312 V HA 0.363 4.498 4.120 0.026 0.000 0.291 312 V C -0.291 175.781 176.094 -0.036 0.000 1.024 312 V CA -0.477 61.829 62.300 0.011 0.000 0.861 312 V CB 1.588 33.431 31.823 0.033 0.000 0.985 312 V HN 0.612 nan 8.190 nan 0.000 0.436 313 V N 4.909 124.735 119.914 -0.148 0.000 2.328 313 V HA 0.420 4.556 4.120 0.026 0.000 0.278 313 V C -0.011 176.024 176.094 -0.099 0.000 1.021 313 V CA -0.564 61.628 62.300 -0.181 0.000 0.838 313 V CB 1.201 32.768 31.823 -0.427 0.000 0.999 313 V HN 0.909 nan 8.190 nan 0.000 0.447 314 E N 3.628 123.821 120.200 -0.011 0.000 2.166 314 E HA 0.523 4.889 4.350 0.026 0.000 0.275 314 E C -1.063 175.626 176.600 0.149 0.000 0.941 314 E CA -0.887 55.550 56.400 0.062 0.000 0.784 314 E CB 2.524 32.270 29.700 0.077 0.000 1.115 314 E HN 0.481 nan 8.360 nan 0.000 0.399 315 L N 4.547 125.842 121.223 0.119 0.000 2.272 315 L HA 0.405 4.761 4.340 0.026 0.000 0.289 315 L C -0.973 176.010 176.870 0.188 0.000 1.032 315 L CA 0.149 55.054 54.840 0.109 0.000 0.810 315 L CB 0.111 42.217 42.059 0.078 0.000 1.205 315 L HN 0.693 nan 8.230 nan 0.000 0.422 316 H N 0.144 119.251 119.070 0.061 0.000 2.933 316 H HA 0.788 5.359 4.556 0.025 0.000 0.310 316 H C -0.842 174.554 175.328 0.113 0.000 1.351 316 H CA -0.557 55.532 56.048 0.068 0.000 1.137 316 H CB 0.749 30.534 29.762 0.037 0.000 1.853 316 H HN 0.498 nan 8.280 nan 0.000 0.539 317 T N -2.103 112.596 114.554 0.241 0.000 2.934 317 T HA 0.564 4.929 4.350 0.026 0.000 0.283 317 T C 1.384 176.223 174.700 0.232 0.000 1.005 317 T CA -0.401 61.828 62.100 0.214 0.000 1.041 317 T CB 1.652 70.610 68.868 0.150 0.000 1.042 317 T HN 0.918 nan 8.240 nan 0.000 0.505 318 A N 1.494 124.420 122.820 0.178 0.000 1.940 318 A HA -0.132 4.203 4.320 0.026 0.000 0.219 318 A C 1.882 179.542 177.584 0.127 0.000 1.176 318 A CA 2.001 54.126 52.037 0.147 0.000 0.631 318 A CB -1.193 17.881 19.000 0.123 0.000 0.814 318 A HN 1.006 nan 8.150 nan 0.000 0.446 319 D N -1.952 118.498 120.400 0.084 0.000 2.378 319 D HA 0.235 4.890 4.640 0.026 0.000 0.222 319 D C 1.117 177.451 176.300 0.056 0.000 0.980 319 D CA 1.125 55.152 54.000 0.045 0.000 0.907 319 D CB -0.628 40.170 40.800 -0.003 0.000 0.899 319 D HN 0.953 nan 8.370 nan 0.000 0.527 320 G N -1.255 107.614 108.800 0.114 0.000 2.138 320 G HA2 -0.198 3.777 3.960 0.026 0.000 0.193 320 G HA3 -0.198 3.777 3.960 0.026 0.000 0.193 320 G C 0.099 175.025 174.900 0.043 0.000 0.998 320 G CA 0.070 45.209 45.100 0.064 0.000 0.668 320 G HN 0.428 nan 8.290 nan 0.000 0.516 321 T N 1.185 115.786 114.554 0.078 0.000 2.799 321 T HA 0.554 4.919 4.350 0.026 0.000 0.286 321 T C 0.189 174.948 174.700 0.098 0.000 0.973 321 T CA -0.322 61.811 62.100 0.055 0.000 1.035 321 T CB 2.000 70.889 68.868 0.036 0.000 0.932 321 T HN 0.535 nan 8.240 nan 0.000 0.469 322 L N 4.641 125.901 121.223 0.061 0.000 2.367 322 L HA 0.394 4.750 4.340 0.026 0.000 0.275 322 L C 0.714 177.633 176.870 0.081 0.000 1.129 322 L CA 0.303 55.191 54.840 0.080 0.000 0.839 322 L CB 0.105 42.184 42.059 0.034 0.000 1.133 322 L HN 0.715 nan 8.230 nan 0.000 0.453 323 I N 2.575 123.206 120.570 0.102 0.000 2.512 323 I HA 0.118 4.303 4.170 0.026 0.000 0.247 323 I C 0.233 176.375 176.117 0.043 0.000 1.094 323 I CA 0.444 61.786 61.300 0.070 0.000 1.427 323 I CB 0.141 38.187 38.000 0.077 0.000 1.149 323 I HN 0.792 nan 8.210 nan 0.000 0.438 324 E N 0.136 120.363 120.200 0.044 0.000 2.409 324 E HA 0.707 5.072 4.350 0.026 0.000 0.280 324 E C -1.479 175.143 176.600 0.038 0.000 1.079 324 E CA -1.093 55.324 56.400 0.029 0.000 0.840 324 E CB 1.718 31.400 29.700 -0.029 0.000 1.309 324 E HN -0.003 nan 8.360 nan 0.000 0.447 325 A N 1.087 123.954 122.820 0.079 0.000 2.414 325 A HA 0.715 5.051 4.320 0.026 0.000 0.306 325 A C -0.976 176.719 177.584 0.186 0.000 1.054 325 A CA -0.703 51.385 52.037 0.086 0.000 0.724 325 A CB 1.628 20.670 19.000 0.071 0.000 1.267 325 A HN 0.498 nan 8.150 nan 0.000 0.418 326 E N -0.371 119.864 120.200 0.059 0.000 2.378 326 E HA 0.862 5.227 4.350 0.026 0.000 0.265 326 E C -0.493 176.140 176.600 0.055 0.000 0.932 326 E CA -0.419 56.061 56.400 0.132 0.000 0.795 326 E CB 2.364 31.996 29.700 -0.114 0.000 1.296 326 E HN 1.250 nan 8.360 nan 0.000 0.438 327 A N -0.207 122.763 122.820 0.251 0.000 2.566 327 A HA 0.712 5.047 4.320 0.026 0.000 0.290 327 A C -1.242 176.550 177.584 0.346 0.000 1.071 327 A CA -0.321 51.799 52.037 0.138 0.000 0.658 327 A CB 0.578 19.591 19.000 0.022 0.000 1.285 327 A HN 0.892 nan 8.150 nan 0.000 0.427 328 C N -0.793 118.659 119.300 0.254 0.000 3.311 328 C HA 0.808 5.283 4.460 0.026 0.000 0.325 328 C C -1.387 173.697 174.990 0.157 0.000 1.352 328 C CA -0.952 58.208 59.018 0.236 0.000 1.308 328 C CB 1.043 28.920 27.740 0.230 0.000 1.619 328 C HN 0.818 nan 8.230 nan 0.000 0.469 329 D N 0.996 121.471 120.400 0.124 0.000 2.304 329 D HA 0.555 5.210 4.640 0.026 0.000 0.250 329 D C -0.367 175.986 176.300 0.087 0.000 1.107 329 D CA 0.175 54.248 54.000 0.123 0.000 0.885 329 D CB 1.788 42.663 40.800 0.125 0.000 1.192 329 D HN 0.548 nan 8.370 nan 0.000 0.436 330 V N 1.213 121.213 119.914 0.142 0.000 2.540 330 V HA 0.663 4.798 4.120 0.026 0.000 0.302 330 V C 0.568 176.748 176.094 0.144 0.000 1.035 330 V CA -0.875 61.461 62.300 0.060 0.000 0.873 330 V CB 2.055 33.890 31.823 0.020 0.000 0.992 330 V HN 0.603 nan 8.190 nan 0.000 0.428 331 G N 3.110 111.888 108.800 -0.036 0.000 2.502 331 G HA2 0.603 4.579 3.960 0.026 0.000 0.311 331 G HA3 0.603 4.579 3.960 0.026 0.000 0.311 331 G C -0.996 173.998 174.900 0.157 0.000 1.270 331 G CA -0.374 44.784 45.100 0.097 0.000 0.948 331 G HN 0.429 nan 8.290 nan 0.000 0.487 332 F N 4.026 124.167 119.950 0.317 0.000 2.462 332 F HA 0.434 4.976 4.527 0.025 0.000 0.360 332 F C 1.151 177.211 175.800 0.435 0.000 1.134 332 F CA -0.102 58.149 58.000 0.418 0.000 1.148 332 F CB 0.675 39.926 39.000 0.420 0.000 1.147 332 F HN 0.452 nan 8.300 nan 0.000 0.550 333 R N 3.044 123.842 120.500 0.497 0.000 2.663 333 R HA 0.434 4.789 4.340 0.026 0.000 0.267 333 R C -1.841 174.610 176.300 0.252 0.000 1.038 333 R CA -0.799 55.426 56.100 0.208 0.000 0.886 333 R CB 1.658 32.118 30.300 0.266 0.000 1.249 333 R HN 0.582 nan 8.270 nan 0.000 0.463 334 E N 1.929 122.168 120.200 0.064 0.000 2.199 334 E HA 0.491 4.857 4.350 0.026 0.000 0.269 334 E C -1.255 175.408 176.600 0.105 0.000 0.899 334 E CA -0.976 55.550 56.400 0.211 0.000 0.772 334 E CB 2.216 32.128 29.700 0.353 0.000 1.155 334 E HN 0.392 nan 8.360 nan 0.000 0.408 335 V N 5.306 125.281 119.914 0.102 0.000 2.487 335 V HA 0.574 4.709 4.120 0.026 0.000 0.298 335 V C -0.294 175.838 176.094 0.063 0.000 1.028 335 V CA -0.628 61.702 62.300 0.051 0.000 0.860 335 V CB 1.329 33.161 31.823 0.015 0.000 0.991 335 V HN 0.736 nan 8.190 nan 0.000 0.427 336 R N 4.334 124.868 120.500 0.055 0.000 2.692 336 R HA 0.711 5.066 4.340 0.026 0.000 0.269 336 R C -2.103 174.222 176.300 0.043 0.000 1.030 336 R CA -0.929 55.208 56.100 0.061 0.000 0.882 336 R CB 1.964 32.317 30.300 0.087 0.000 1.250 336 R HN 0.514 nan 8.270 nan 0.000 0.465 337 I N 1.303 121.899 120.570 0.043 0.000 2.339 337 I HA 0.358 4.544 4.170 0.026 0.000 0.290 337 I C -0.623 175.517 176.117 0.037 0.000 0.994 337 I CA -0.458 60.861 61.300 0.032 0.000 1.191 337 I CB 1.858 39.878 38.000 0.033 0.000 1.343 337 I HN 0.705 nan 8.210 nan 0.000 0.458 338 E N 5.699 125.918 120.200 0.030 0.000 2.290 338 E HA 0.250 4.615 4.350 0.026 0.000 0.274 338 E C -0.234 176.380 176.600 0.023 0.000 0.889 338 E CA -0.550 55.870 56.400 0.033 0.000 0.760 338 E CB 1.103 30.829 29.700 0.043 0.000 1.206 338 E HN 0.539 nan 8.360 nan 0.000 0.419 339 N N 3.083 121.796 118.700 0.022 0.000 2.708 339 N HA -0.239 4.516 4.740 0.026 0.000 0.249 339 N C 0.443 175.959 175.510 0.009 0.000 1.097 339 N CA 2.141 55.200 53.050 0.015 0.000 0.710 339 N CB -1.131 37.364 38.487 0.014 0.000 1.032 339 N HN 0.975 nan 8.380 nan 0.000 0.551 340 G N -2.366 106.440 108.800 0.009 0.000 2.157 340 G HA2 -0.271 3.704 3.960 0.026 0.000 0.248 340 G HA3 -0.271 3.704 3.960 0.026 0.000 0.248 340 G C -0.130 174.764 174.900 -0.009 0.000 0.979 340 G CA 0.435 45.536 45.100 0.002 0.000 0.650 340 G HN 0.453 nan 8.290 nan 0.000 0.529 341 L N -0.017 121.201 121.223 -0.008 0.000 2.362 341 L HA 0.705 5.060 4.340 0.026 0.000 0.271 341 L C 0.105 176.962 176.870 -0.021 0.000 1.002 341 L CA -1.333 53.493 54.840 -0.023 0.000 0.818 341 L CB 1.909 43.954 42.059 -0.022 0.000 1.298 341 L HN 0.096 nan 8.230 nan 0.000 0.420 342 L N 4.296 125.494 121.223 -0.041 0.000 2.315 342 L HA 0.418 4.773 4.340 0.026 0.000 0.283 342 L C -0.832 176.011 176.870 -0.046 0.000 1.089 342 L CA 0.444 55.259 54.840 -0.041 0.000 0.833 342 L CB 0.261 42.283 42.059 -0.062 0.000 1.170 342 L HN 0.382 nan 8.230 nan 0.000 0.442 343 L N 6.003 127.214 121.223 -0.020 0.000 2.334 343 L HA 0.533 4.888 4.340 0.026 0.000 0.276 343 L C -0.823 176.041 176.870 -0.011 0.000 1.014 343 L CA -0.845 53.989 54.840 -0.010 0.000 0.815 343 L CB 1.937 44.013 42.059 0.029 0.000 1.268 343 L HN 0.539 nan 8.230 nan 0.000 0.428 344 L N 3.979 125.202 121.223 0.000 0.000 2.319 344 L HA 0.472 4.827 4.340 0.026 0.000 0.281 344 L C -0.205 176.647 176.870 -0.029 0.000 1.005 344 L CA -0.029 54.816 54.840 0.008 0.000 0.828 344 L CB 0.765 42.839 42.059 0.025 0.000 1.227 344 L HN 0.616 nan 8.230 nan 0.000 0.415 345 N N 4.053 122.574 118.700 -0.298 0.000 2.735 345 N HA -0.219 4.536 4.740 0.026 0.000 0.248 345 N C 0.913 175.951 175.510 -0.786 0.000 1.083 345 N CA 1.254 53.746 53.050 -0.930 0.000 0.703 345 N CB -1.388 36.502 38.487 -0.996 0.000 1.005 345 N HN 1.173 nan 8.380 nan 0.000 0.550 346 G N -1.927 106.743 108.800 -0.216 0.000 2.205 346 G HA2 -0.353 3.622 3.960 0.026 0.000 0.261 346 G HA3 -0.353 3.622 3.960 0.026 0.000 0.261 346 G C -0.044 174.877 174.900 0.034 0.000 0.980 346 G CA 0.953 46.087 45.100 0.058 0.000 0.632 346 G HN 0.438 nan 8.290 nan 0.000 0.533 347 K N 0.843 121.252 120.400 0.014 0.000 2.259 347 K HA 0.532 4.868 4.320 0.026 0.000 0.249 347 K C -2.847 173.720 176.600 -0.054 0.000 0.942 347 K CA -2.122 54.141 56.287 -0.040 0.000 0.816 347 K CB 2.635 35.038 32.500 -0.162 0.000 1.155 347 K HN 0.068 nan 8.250 nan 0.000 0.428 348 P HA 0.203 nan 4.420 nan 0.000 0.282 348 P C -0.126 177.107 177.300 -0.111 0.000 1.274 348 P CA -0.241 62.809 63.100 -0.082 0.000 0.770 348 P CB 0.522 32.177 31.700 -0.074 0.000 0.867 349 L N 3.450 124.604 121.223 -0.116 0.000 2.464 349 L HA 0.245 4.600 4.340 0.026 0.000 0.264 349 L C 0.736 177.526 176.870 -0.133 0.000 1.199 349 L CA -0.542 54.221 54.840 -0.130 0.000 0.818 349 L CB 0.270 42.209 42.059 -0.199 0.000 1.102 349 L HN 0.277 nan 8.230 nan 0.000 0.473 350 L N 3.664 124.827 121.223 -0.101 0.000 2.401 350 L HA 0.407 4.762 4.340 0.026 0.000 0.263 350 L C -0.494 176.331 176.870 -0.075 0.000 1.004 350 L CA -0.219 54.548 54.840 -0.123 0.000 0.881 350 L CB 0.732 42.746 42.059 -0.075 0.000 1.219 350 L HN 0.238 nan 8.230 nan 0.000 0.441 351 I N 4.612 125.072 120.570 -0.185 0.000 2.436 351 I HA 0.163 4.349 4.170 0.026 0.000 0.289 351 I C 0.554 176.644 176.117 -0.045 0.000 1.083 351 I CA 0.202 61.414 61.300 -0.146 0.000 1.372 351 I CB 0.385 38.177 38.000 -0.347 0.000 1.408 351 I HN 0.555 nan 8.210 nan 0.000 0.516 352 R N 4.798 125.366 120.500 0.114 0.000 3.070 352 R HA 0.458 4.813 4.340 0.026 0.000 0.252 352 R C 0.500 176.947 176.300 0.244 0.000 1.370 352 R CA -0.257 55.964 56.100 0.201 0.000 1.482 352 R CB 0.858 31.086 30.300 -0.120 0.000 1.220 352 R HN 0.778 nan 8.270 nan 0.000 0.622 353 G N 0.025 108.922 108.800 0.161 0.000 2.597 353 G HA2 0.618 4.593 3.960 0.026 0.000 0.317 353 G HA3 0.618 4.593 3.960 0.026 0.000 0.317 353 G C -1.328 173.855 174.900 0.471 0.000 1.230 353 G CA -0.521 44.666 45.100 0.145 0.000 0.996 353 G HN 0.231 nan 8.290 nan 0.000 0.490 354 V N -0.078 120.083 119.914 0.412 0.000 2.932 354 V HA 0.465 4.600 4.120 0.026 0.000 0.307 354 V C -1.137 175.084 176.094 0.212 0.000 1.147 354 V CA -1.214 61.223 62.300 0.229 0.000 0.951 354 V CB 2.170 33.840 31.823 -0.255 0.000 1.031 354 V HN 0.763 nan 8.190 nan 0.000 0.426 355 N N 4.280 123.028 118.700 0.079 0.000 2.529 355 N HA 0.416 5.171 4.740 0.026 0.000 0.278 355 N C -0.679 174.622 175.510 -0.349 0.000 1.146 355 N CA -0.224 52.719 53.050 -0.179 0.000 0.980 355 N CB 1.347 39.636 38.487 -0.330 0.000 1.124 355 N HN 0.628 nan 8.380 nan 0.000 0.458 356 R N 1.995 122.258 120.500 -0.396 0.000 2.502 356 R HA 0.206 4.561 4.340 0.026 0.000 0.298 356 R C -0.950 175.109 176.300 -0.401 0.000 1.018 356 R CA -0.543 55.357 56.100 -0.333 0.000 0.899 356 R CB 0.799 30.890 30.300 -0.348 0.000 1.181 356 R HN 0.600 nan 8.270 nan 0.000 0.444 357 H N 2.013 120.937 119.070 -0.243 0.000 2.508 357 H HA 0.139 4.711 4.556 0.026 0.000 0.358 357 H C -0.465 174.862 175.328 -0.003 0.000 1.212 357 H CA 0.022 56.015 56.048 -0.093 0.000 1.356 357 H CB 1.431 31.206 29.762 0.022 0.000 1.525 357 H HN 0.552 nan 8.280 nan 0.000 0.578 358 E N 1.742 122.131 120.200 0.314 0.000 1.941 358 E HA 0.099 4.464 4.350 0.026 0.000 0.275 358 E C -0.755 176.004 176.600 0.265 0.000 1.113 358 E CA 0.015 56.534 56.400 0.199 0.000 0.878 358 E CB 0.208 30.045 29.700 0.228 0.000 1.070 358 E HN 0.362 nan 8.360 nan 0.000 0.399 359 H N 1.659 120.798 119.070 0.115 0.000 2.947 359 H HA 0.239 4.810 4.556 0.026 0.000 0.354 359 H C -1.685 173.702 175.328 0.098 0.000 1.085 359 H CA -0.658 55.453 56.048 0.105 0.000 1.253 359 H CB 1.029 30.840 29.762 0.082 0.000 1.757 359 H HN 0.392 nan 8.280 nan 0.000 0.523 360 H N 6.375 125.063 119.070 -0.638 0.000 2.689 360 H HA 0.224 4.795 4.556 0.025 0.000 0.346 360 H C -2.300 172.650 175.328 -0.631 0.000 1.037 360 H CA -2.429 53.365 56.048 -0.423 0.000 1.234 360 H CB 2.674 32.336 29.762 -0.166 0.000 1.572 360 H HN 0.540 nan 8.280 nan 0.000 0.524 361 P HA -0.068 nan 4.420 nan 0.000 0.222 361 P C 1.113 178.325 177.300 -0.146 0.000 1.147 361 P CA 0.732 63.683 63.100 -0.250 0.000 0.790 361 P CB 0.825 32.421 31.700 -0.173 0.000 0.780 362 L N -1.773 119.490 121.223 0.066 0.000 2.362 362 L HA 0.123 4.478 4.340 0.026 0.000 0.204 362 L C 2.140 178.829 176.870 -0.301 0.000 1.060 362 L CA 0.687 55.429 54.840 -0.164 0.000 0.827 362 L CB -0.725 41.144 42.059 -0.316 0.000 1.027 362 L HN -0.021 nan 8.230 nan 0.000 0.474 363 H N -0.462 118.582 119.070 -0.044 0.000 2.551 363 H HA 0.278 4.849 4.556 0.025 0.000 0.271 363 H C 1.403 176.628 175.328 -0.171 0.000 0.984 363 H CA 0.204 56.123 56.048 -0.215 0.000 1.164 363 H CB 0.392 29.899 29.762 -0.424 0.000 1.437 363 H HN 0.388 nan 8.280 nan 0.000 0.550 364 G N 1.424 110.144 108.800 -0.133 0.000 2.557 364 G HA2 -0.391 3.585 3.960 0.026 0.000 0.292 364 G HA3 -0.391 3.585 3.960 0.026 0.000 0.292 364 G C 0.751 175.570 174.900 -0.134 0.000 1.162 364 G CA 0.409 45.385 45.100 -0.207 0.000 0.964 364 G HN 0.462 nan 8.290 nan 0.000 0.541 365 Q N -0.109 119.643 119.800 -0.079 0.000 2.219 365 Q HA 0.444 4.800 4.340 0.026 0.000 0.209 365 Q C 0.403 176.500 176.000 0.162 0.000 0.854 365 Q CA -0.059 55.741 55.803 -0.005 0.000 0.960 365 Q CB 1.381 29.991 28.738 -0.213 0.000 1.116 365 Q HN 0.371 nan 8.270 nan 0.000 0.500 366 V N 2.144 122.134 119.914 0.126 0.000 2.530 366 V HA 0.140 4.276 4.120 0.026 0.000 0.282 366 V C 0.167 176.317 176.094 0.093 0.000 1.048 366 V CA 0.161 62.542 62.300 0.135 0.000 0.997 366 V CB 0.937 32.772 31.823 0.020 0.000 0.987 366 V HN 0.290 nan 8.190 nan 0.000 0.477 367 M N 5.338 124.999 119.600 0.102 0.000 2.472 367 M HA 0.498 4.993 4.480 0.026 0.000 0.331 367 M C -0.354 175.919 176.300 -0.046 0.000 1.170 367 M CA -0.649 54.672 55.300 0.035 0.000 1.009 367 M CB 1.724 34.314 32.600 -0.015 0.000 1.672 367 M HN 0.852 nan 8.290 nan 0.000 0.453 368 D N 0.286 120.667 120.400 -0.030 0.000 2.490 368 D HA 0.221 4.876 4.640 0.026 0.000 0.232 368 D C 0.112 176.401 176.300 -0.018 0.000 1.053 368 D CA -0.440 53.538 54.000 -0.036 0.000 0.914 368 D CB 1.928 42.727 40.800 -0.001 0.000 1.431 368 D HN 0.720 nan 8.370 nan 0.000 0.483 369 E N 0.399 120.595 120.200 -0.007 0.000 2.097 369 E HA -0.313 4.052 4.350 0.026 0.000 0.196 369 E C 1.865 178.510 176.600 0.074 0.000 1.000 369 E CA 1.533 57.956 56.400 0.038 0.000 0.804 369 E CB 0.111 29.847 29.700 0.059 0.000 0.740 369 E HN 0.593 nan 8.360 nan 0.000 0.454 370 Q N -0.279 119.567 119.800 0.075 0.000 2.084 370 Q HA -0.160 4.196 4.340 0.026 0.000 0.202 370 Q C 1.932 177.995 176.000 0.105 0.000 0.978 370 Q CA 2.109 57.966 55.803 0.090 0.000 0.844 370 Q CB -0.076 28.716 28.738 0.089 0.000 0.898 370 Q HN 0.247 nan 8.270 nan 0.000 0.426 371 T N 1.073 115.700 114.554 0.122 0.000 2.777 371 T HA -0.106 4.260 4.350 0.026 0.000 0.266 371 T C 1.838 176.626 174.700 0.147 0.000 1.040 371 T CA 1.490 63.676 62.100 0.143 0.000 1.141 371 T CB -0.133 68.846 68.868 0.186 0.000 0.868 371 T HN 0.312 nan 8.240 nan 0.000 0.444 372 M N 0.557 120.246 119.600 0.148 0.000 2.065 372 M HA -0.108 4.387 4.480 0.026 0.000 0.259 372 M C 2.477 178.899 176.300 0.203 0.000 1.069 372 M CA 1.436 56.891 55.300 0.259 0.000 1.110 372 M CB -0.677 32.098 32.600 0.290 0.000 1.328 372 M HN 0.101 nan 8.290 nan 0.000 0.405 373 V N 0.255 120.229 119.914 0.100 0.000 2.343 373 V HA -0.308 3.827 4.120 0.026 0.000 0.247 373 V C 2.324 178.401 176.094 -0.028 0.000 1.051 373 V CA 2.139 64.429 62.300 -0.017 0.000 1.036 373 V CB -0.921 30.925 31.823 0.039 0.000 0.654 373 V HN 0.567 nan 8.190 nan 0.000 0.451 374 Q N -0.313 119.522 119.800 0.058 0.000 2.096 374 Q HA -0.270 4.086 4.340 0.026 0.000 0.204 374 Q C 1.949 178.020 176.000 0.118 0.000 0.982 374 Q CA 2.139 57.991 55.803 0.083 0.000 0.850 374 Q CB -0.125 28.680 28.738 0.112 0.000 0.901 374 Q HN 0.624 nan 8.270 nan 0.000 0.422 375 D N 0.171 120.666 120.400 0.157 0.000 2.117 375 D HA -0.104 4.551 4.640 0.026 0.000 0.198 375 D C 1.908 178.175 176.300 -0.056 0.000 0.982 375 D CA 0.946 55.054 54.000 0.181 0.000 0.828 375 D CB -0.093 40.820 40.800 0.188 0.000 0.967 375 D HN 0.360 nan 8.370 nan 0.000 0.464 376 I N 0.628 121.147 120.570 -0.085 0.000 2.226 376 I HA -0.228 3.957 4.170 0.026 0.000 0.245 376 I C 2.371 178.342 176.117 -0.243 0.000 1.100 376 I CA 0.618 61.761 61.300 -0.262 0.000 1.374 376 I CB -0.082 37.648 38.000 -0.450 0.000 1.057 376 I HN -0.027 nan 8.210 nan 0.000 0.413 377 L N 0.009 121.118 121.223 -0.190 0.000 2.046 377 L HA -0.232 4.123 4.340 0.026 0.000 0.208 377 L C 2.516 179.439 176.870 0.089 0.000 1.077 377 L CA 1.336 56.153 54.840 -0.038 0.000 0.747 377 L CB -0.489 41.564 42.059 -0.010 0.000 0.896 377 L HN 0.266 nan 8.230 nan 0.000 0.432 378 L N -1.110 120.188 121.223 0.126 0.000 2.056 378 L HA -0.226 4.130 4.340 0.026 0.000 0.207 378 L C 2.662 179.681 176.870 0.249 0.000 1.078 378 L CA 1.263 56.262 54.840 0.265 0.000 0.749 378 L CB -0.236 42.106 42.059 0.472 0.000 0.901 378 L HN 0.288 nan 8.230 nan 0.000 0.433 379 M N -0.662 118.903 119.600 -0.058 0.000 2.065 379 M HA -0.265 4.230 4.480 0.026 0.000 0.259 379 M C 2.290 178.665 176.300 0.124 0.000 1.069 379 M CA 1.910 57.105 55.300 -0.175 0.000 1.110 379 M CB -0.342 31.942 32.600 -0.528 0.000 1.328 379 M HN 0.081 nan 8.290 nan 0.000 0.405 380 K N -0.059 120.313 120.400 -0.046 0.000 2.057 380 K HA -0.175 4.160 4.320 0.026 0.000 0.207 380 K C 1.955 178.512 176.600 -0.072 0.000 1.049 380 K CA 1.322 57.465 56.287 -0.240 0.000 0.931 380 K CB -0.234 31.935 32.500 -0.551 0.000 0.714 380 K HN 0.462 nan 8.250 nan 0.000 0.440 381 Q N 0.373 120.317 119.800 0.239 0.000 2.291 381 Q HA -0.055 4.300 4.340 0.026 0.000 0.206 381 Q C 0.867 177.155 176.000 0.479 0.000 0.976 381 Q CA 0.768 56.820 55.803 0.415 0.000 0.875 381 Q CB 0.098 29.048 28.738 0.353 0.000 0.927 381 Q HN 0.265 nan 8.270 nan 0.000 0.450 382 N N 0.606 119.537 118.700 0.386 0.000 2.279 382 N HA 0.049 4.805 4.740 0.026 0.000 0.226 382 N C -0.642 174.950 175.510 0.137 0.000 1.126 382 N CA 0.039 53.304 53.050 0.358 0.000 0.846 382 N CB 0.652 39.437 38.487 0.496 0.000 1.050 382 N HN 0.174 nan 8.380 nan 0.000 0.502 383 N N 0.132 118.926 118.700 0.157 0.000 2.776 383 N HA -0.190 4.565 4.740 0.026 0.000 0.250 383 N C -0.837 174.586 175.510 -0.146 0.000 1.112 383 N CA 0.800 53.901 53.050 0.086 0.000 0.733 383 N CB -1.760 36.712 38.487 -0.025 0.000 1.097 383 N HN 0.256 nan 8.380 nan 0.000 0.558 384 F N 1.096 121.063 119.950 0.027 0.000 2.379 384 F HA 0.315 4.856 4.527 0.025 0.000 0.332 384 F C 1.765 177.555 175.800 -0.017 0.000 1.096 384 F CA -0.570 57.430 58.000 -0.001 0.000 1.105 384 F CB 0.858 39.824 39.000 -0.057 0.000 1.189 384 F HN 0.037 nan 8.300 nan 0.000 0.515 385 N N 0.639 119.455 118.700 0.194 0.000 2.143 385 N HA 0.422 5.177 4.740 0.026 0.000 0.222 385 N C -0.860 174.689 175.510 0.065 0.000 1.264 385 N CA -0.009 53.074 53.050 0.055 0.000 0.897 385 N CB 0.748 39.316 38.487 0.135 0.000 1.092 385 N HN 0.475 nan 8.380 nan 0.000 0.516 386 A N -0.484 122.455 122.820 0.198 0.000 2.606 386 A HA 0.769 5.105 4.320 0.026 0.000 0.293 386 A C -1.764 176.038 177.584 0.364 0.000 1.082 386 A CA -0.706 51.514 52.037 0.305 0.000 0.685 386 A CB 1.877 21.096 19.000 0.365 0.000 1.284 386 A HN 0.237 nan 8.150 nan 0.000 0.408 387 V N 1.074 121.255 119.914 0.446 0.000 2.888 387 V HA 0.777 4.912 4.120 0.026 0.000 0.309 387 V C -0.726 175.494 176.094 0.210 0.000 1.114 387 V CA -0.675 61.830 62.300 0.342 0.000 0.940 387 V CB 1.922 33.875 31.823 0.217 0.000 1.021 387 V HN 1.140 nan 8.190 nan 0.000 0.426 388 R N 4.969 125.438 120.500 -0.052 0.000 2.338 388 R HA 0.503 4.858 4.340 0.026 0.000 0.317 388 R C -0.828 175.316 176.300 -0.261 0.000 0.968 388 R CA -0.450 55.423 56.100 -0.379 0.000 0.849 388 R CB 1.127 30.933 30.300 -0.825 0.000 1.128 388 R HN 0.797 nan 8.270 nan 0.000 0.448 389 C N 4.516 123.694 119.300 -0.203 0.000 2.645 389 C HA 0.140 4.615 4.460 0.026 0.000 0.451 389 C C 0.467 175.170 174.990 -0.479 0.000 1.018 389 C CA -0.487 58.359 59.018 -0.286 0.000 1.180 389 C CB -1.917 25.771 27.740 -0.086 0.000 1.563 389 C HN 0.729 nan 8.230 nan 0.000 0.551 390 S N 1.828 117.111 115.700 -0.695 0.000 2.455 390 S HA 0.223 4.708 4.470 0.026 0.000 0.278 390 S C -0.211 173.470 174.600 -1.532 0.000 1.216 390 S CA 0.041 57.564 58.200 -1.128 0.000 1.055 390 S CB 0.149 62.605 63.200 -1.241 0.000 0.939 390 S HN 0.736 nan 8.310 nan 0.000 0.494 391 H N 3.755 122.237 119.070 -0.979 0.000 2.439 391 H HA 0.326 4.897 4.556 0.025 0.000 0.228 391 H C -1.208 173.997 175.328 -0.206 0.000 1.423 391 H CA -0.350 55.494 56.048 -0.341 0.000 1.386 391 H CB -0.039 29.714 29.762 -0.015 0.000 1.641 391 H HN 0.888 nan 8.280 nan 0.000 0.508 392 Y N -2.466 117.931 120.300 0.162 0.000 2.765 392 Y HA 0.391 4.957 4.550 0.026 0.000 0.350 392 Y C -3.346 172.659 175.900 0.175 0.000 1.196 392 Y CA -3.087 55.121 58.100 0.180 0.000 1.119 392 Y CB -0.011 38.563 38.460 0.189 0.000 1.368 392 Y HN -0.054 nan 8.280 nan 0.000 0.463 393 P HA 0.176 nan 4.420 nan 0.000 0.268 393 P C -0.580 177.010 177.300 0.484 0.000 1.205 393 P CA 0.135 63.487 63.100 0.420 0.000 0.771 393 P CB 0.610 32.485 31.700 0.291 0.000 0.858 394 N N 0.512 119.523 118.700 0.518 0.000 2.448 394 N HA 0.091 4.847 4.740 0.026 0.000 0.274 394 N C 0.110 175.893 175.510 0.455 0.000 1.239 394 N CA -0.578 52.704 53.050 0.387 0.000 0.982 394 N CB 0.348 38.878 38.487 0.072 0.000 1.199 394 N HN 0.597 nan 8.380 nan 0.000 0.576 395 H N 2.052 121.256 119.070 0.223 0.000 2.972 395 H HA 0.007 4.578 4.556 0.025 0.000 0.343 395 H C -1.620 173.899 175.328 0.318 0.000 1.054 395 H CA -0.821 55.339 56.048 0.187 0.000 1.412 395 H CB 1.004 30.841 29.762 0.126 0.000 1.385 395 H HN 0.421 nan 8.280 nan 0.000 0.600 396 P HA -0.219 nan 4.420 nan 0.000 0.216 396 P C 1.819 179.439 177.300 0.532 0.000 1.150 396 P CA 0.792 64.134 63.100 0.404 0.000 0.843 396 P CB 0.220 32.010 31.700 0.150 0.000 0.787 397 L N -1.071 120.535 121.223 0.639 0.000 2.191 397 L HA -0.055 4.300 4.340 0.026 0.000 0.212 397 L C 2.413 179.452 176.870 0.281 0.000 1.103 397 L CA 1.390 56.463 54.840 0.389 0.000 0.769 397 L CB -1.391 40.834 42.059 0.276 0.000 0.908 397 L HN 0.033 nan 8.230 nan 0.000 0.438 398 W N -0.497 120.853 121.300 0.083 0.000 2.335 398 W HA -0.329 4.346 4.660 0.024 0.000 0.311 398 W C 2.098 178.485 176.519 -0.220 0.000 1.213 398 W CA 1.919 59.179 57.345 -0.141 0.000 1.274 398 W CB -0.372 28.909 29.460 -0.299 0.000 1.148 398 W HN 0.270 nan 8.180 nan 0.000 0.498 399 Y N 0.703 120.947 120.300 -0.093 0.000 2.224 399 Y HA -0.204 4.361 4.550 0.025 0.000 0.289 399 Y C 2.861 178.542 175.900 -0.367 0.000 1.146 399 Y CA 2.117 59.952 58.100 -0.442 0.000 1.182 399 Y CB -1.378 36.511 38.460 -0.952 0.000 0.983 399 Y HN -0.226 nan 8.280 nan 0.000 0.524 400 T N 0.555 115.124 114.554 0.026 0.000 2.821 400 T HA -0.116 4.249 4.350 0.026 0.000 0.267 400 T C 1.971 176.706 174.700 0.058 0.000 1.046 400 T CA 1.151 63.340 62.100 0.148 0.000 1.139 400 T CB -0.445 68.563 68.868 0.233 0.000 0.871 400 T HN 0.239 nan 8.240 nan 0.000 0.454 401 L N 0.185 121.395 121.223 -0.021 0.000 2.109 401 L HA -0.064 4.291 4.340 0.026 0.000 0.207 401 L C 2.792 179.631 176.870 -0.052 0.000 1.086 401 L CA 0.808 55.656 54.840 0.013 0.000 0.760 401 L CB -0.604 41.422 42.059 -0.055 0.000 0.910 401 L HN 0.364 nan 8.230 nan 0.000 0.437 402 C N -0.193 118.913 119.300 -0.324 0.000 2.440 402 C HA -0.136 4.340 4.460 0.026 0.000 0.278 402 C C 2.404 177.433 174.990 0.066 0.000 1.295 402 C CA 0.349 59.215 59.018 -0.253 0.000 1.738 402 C CB -0.754 26.730 27.740 -0.427 0.000 1.987 402 C HN 0.539 nan 8.230 nan 0.000 0.492 403 D N 0.567 121.014 120.400 0.079 0.000 2.097 403 D HA -0.105 4.550 4.640 0.026 0.000 0.195 403 D C 2.381 178.889 176.300 0.348 0.000 0.989 403 D CA 1.255 55.379 54.000 0.206 0.000 0.827 403 D CB -0.364 40.514 40.800 0.131 0.000 0.966 403 D HN 0.525 nan 8.370 nan 0.000 0.456 404 R N -1.001 119.590 120.500 0.152 0.000 2.127 404 R HA 0.011 4.366 4.340 0.026 0.000 0.217 404 R C 2.153 178.405 176.300 -0.080 0.000 1.074 404 R CA 0.513 56.633 56.100 0.033 0.000 0.991 404 R CB -0.120 30.124 30.300 -0.093 0.000 0.895 404 R HN 0.288 nan 8.270 nan 0.000 0.450 405 Y N -0.103 120.212 120.300 0.026 0.000 2.420 405 Y HA 0.156 4.721 4.550 0.025 0.000 0.292 405 Y C 1.051 176.885 175.900 -0.109 0.000 1.119 405 Y CA 0.777 58.862 58.100 -0.025 0.000 1.229 405 Y CB 0.636 39.051 38.460 -0.074 0.000 1.026 405 Y HN 0.216 nan 8.280 nan 0.000 0.554 406 G N 1.179 110.014 108.800 0.058 0.000 2.894 406 G HA2 -0.144 3.831 3.960 0.026 0.000 0.263 406 G HA3 -0.144 3.831 3.960 0.026 0.000 0.263 406 G C -1.176 173.571 174.900 -0.254 0.000 1.013 406 G CA -0.560 44.443 45.100 -0.161 0.000 1.226 406 G HN 0.164 nan 8.290 nan 0.000 0.563 407 L N 0.912 122.067 121.223 -0.113 0.000 2.445 407 L HA 0.511 4.866 4.340 0.026 0.000 0.262 407 L C -0.039 176.840 176.870 0.015 0.000 0.974 407 L CA -1.309 53.420 54.840 -0.185 0.000 0.822 407 L CB 2.053 44.028 42.059 -0.141 0.000 1.339 407 L HN 0.453 nan 8.230 nan 0.000 0.409 408 Y N 1.740 122.173 120.300 0.222 0.000 2.335 408 Y HA 0.406 4.973 4.550 0.029 0.000 0.331 408 Y C 0.177 176.205 175.900 0.212 0.000 1.094 408 Y CA -0.710 57.553 58.100 0.273 0.000 1.253 408 Y CB 1.378 39.975 38.460 0.229 0.000 1.203 408 Y HN 0.157 nan 8.280 nan 0.000 0.508 409 V N 4.226 124.325 119.914 0.309 0.000 2.680 409 V HA 0.341 4.476 4.120 0.026 0.000 0.309 409 V C -0.633 175.538 176.094 0.128 0.000 1.052 409 V CA -1.012 61.408 62.300 0.200 0.000 0.908 409 V CB 2.083 33.979 31.823 0.123 0.000 1.001 409 V HN 0.444 nan 8.190 nan 0.000 0.431 410 V N 3.013 122.966 119.914 0.066 0.000 2.333 410 V HA 0.345 4.480 4.120 0.026 0.000 0.274 410 V C -0.398 175.721 176.094 0.042 0.000 1.028 410 V CA -0.396 61.895 62.300 -0.015 0.000 0.851 410 V CB 1.450 33.159 31.823 -0.190 0.000 1.000 410 V HN 0.868 nan 8.190 nan 0.000 0.456 411 D N 4.158 124.630 120.400 0.121 0.000 2.249 411 D HA 0.363 5.018 4.640 0.026 0.000 0.246 411 D C -0.263 176.231 176.300 0.324 0.000 1.114 411 D CA -0.058 54.114 54.000 0.285 0.000 0.854 411 D CB 1.340 42.371 40.800 0.385 0.000 1.132 411 D HN 0.700 nan 8.370 nan 0.000 0.461 412 E N 1.822 122.179 120.200 0.261 0.000 2.248 412 E HA 0.630 4.996 4.350 0.026 0.000 0.267 412 E C -1.120 175.621 176.600 0.236 0.000 0.877 412 E CA -1.079 55.461 56.400 0.233 0.000 0.759 412 E CB 1.406 31.194 29.700 0.147 0.000 1.182 412 E HN 0.436 nan 8.360 nan 0.000 0.418 413 A N 3.744 126.694 122.820 0.216 0.000 2.498 413 A HA 0.054 4.389 4.320 0.026 0.000 0.239 413 A C 0.301 178.012 177.584 0.210 0.000 1.068 413 A CA -0.158 51.985 52.037 0.177 0.000 0.766 413 A CB 0.075 19.143 19.000 0.113 0.000 1.003 413 A HN 0.674 nan 8.150 nan 0.000 0.497 414 N N 1.671 120.504 118.700 0.221 0.000 2.971 414 N HA 0.243 4.998 4.740 0.026 0.000 0.294 414 N C -1.019 174.621 175.510 0.217 0.000 1.210 414 N CA 0.225 53.439 53.050 0.274 0.000 1.157 414 N CB -0.827 37.819 38.487 0.266 0.000 1.450 414 N HN 0.488 nan 8.380 nan 0.000 0.527 415 I N 0.996 121.688 120.570 0.204 0.000 2.497 415 I HA 0.261 4.447 4.170 0.026 0.000 0.284 415 I C -0.583 175.636 176.117 0.170 0.000 1.060 415 I CA -0.586 60.817 61.300 0.170 0.000 1.071 415 I CB 1.730 39.805 38.000 0.125 0.000 1.216 415 I HN 0.238 nan 8.210 nan 0.000 0.442 416 E N 4.405 124.701 120.200 0.159 0.000 2.294 416 E HA 0.354 4.719 4.350 0.026 0.000 0.272 416 E C -0.627 176.031 176.600 0.096 0.000 0.896 416 E CA -0.460 56.003 56.400 0.106 0.000 0.802 416 E CB 1.537 31.282 29.700 0.076 0.000 1.267 416 E HN 0.590 nan 8.360 nan 0.000 0.406 417 T N 0.687 115.290 114.554 0.081 0.000 3.374 417 T HA 0.168 4.533 4.350 0.026 0.000 0.267 417 T C 0.865 175.602 174.700 0.061 0.000 0.996 417 T CA -0.367 61.804 62.100 0.118 0.000 0.977 417 T CB -0.246 68.689 68.868 0.112 0.000 1.149 417 T HN 0.655 nan 8.240 nan 0.000 0.517 418 H N 1.227 120.194 119.070 -0.171 0.000 2.353 418 H HA -0.073 4.499 4.556 0.027 0.000 0.298 418 H C 2.314 177.507 175.328 -0.225 0.000 1.103 418 H CA 1.355 57.276 56.048 -0.210 0.000 1.293 418 H CB -0.157 29.446 29.762 -0.265 0.000 1.372 418 H HN 0.595 nan 8.280 nan 0.000 0.501 419 G N 0.198 108.829 108.800 -0.281 0.000 2.744 419 G HA2 -0.046 3.930 3.960 0.026 0.000 0.211 419 G HA3 -0.046 3.930 3.960 0.026 0.000 0.211 419 G C 0.519 175.527 174.900 0.180 0.000 1.143 419 G CA -0.155 44.834 45.100 -0.185 0.000 0.788 419 G HN 0.145 nan 8.290 nan 0.000 0.534 420 M N 0.376 120.136 119.600 0.267 0.000 2.207 420 M HA 0.262 4.758 4.480 0.026 0.000 0.311 420 M C -0.288 176.051 176.300 0.065 0.000 1.127 420 M CA -0.081 55.326 55.300 0.179 0.000 1.181 420 M CB 1.266 33.919 32.600 0.089 0.000 1.409 420 M HN -0.200 nan 8.290 nan 0.000 0.461 421 V N 3.703 123.631 119.914 0.024 0.000 2.482 421 V HA 0.359 4.494 4.120 0.026 0.000 0.295 421 V C -1.931 174.155 176.094 -0.013 0.000 1.026 421 V CA -1.327 60.972 62.300 -0.001 0.000 0.856 421 V CB 1.715 33.531 31.823 -0.010 0.000 1.001 421 V HN 0.735 nan 8.190 nan 0.000 0.424 422 P HA 0.233 nan 4.420 nan 0.000 0.275 422 P C 1.003 178.305 177.300 0.005 0.000 1.266 422 P CA -0.488 62.609 63.100 -0.006 0.000 0.793 422 P CB 1.011 32.709 31.700 -0.004 0.000 1.074 423 M N 0.639 120.248 119.600 0.014 0.000 2.202 423 M HA -0.174 4.321 4.480 0.026 0.000 0.262 423 M C 1.195 177.518 176.300 0.039 0.000 1.063 423 M CA 1.857 57.175 55.300 0.031 0.000 1.097 423 M CB -0.465 32.147 32.600 0.019 0.000 1.382 423 M HN 0.364 nan 8.290 nan 0.000 0.413 424 N N -0.101 118.622 118.700 0.039 0.000 2.313 424 N HA -0.068 4.687 4.740 0.026 0.000 0.207 424 N C 1.102 176.596 175.510 -0.026 0.000 1.141 424 N CA 0.158 53.233 53.050 0.041 0.000 0.830 424 N CB -0.731 37.798 38.487 0.071 0.000 1.008 424 N HN 0.353 nan 8.380 nan 0.000 0.481 425 R N 0.369 120.838 120.500 -0.051 0.000 2.119 425 R HA -0.057 4.298 4.340 0.026 0.000 0.246 425 R C 1.432 177.631 176.300 -0.170 0.000 1.146 425 R CA 1.574 57.617 56.100 -0.095 0.000 0.962 425 R CB -0.055 30.183 30.300 -0.102 0.000 0.863 425 R HN 0.311 nan 8.270 nan 0.000 0.442 426 L N -0.953 120.109 121.223 -0.268 0.000 2.168 426 L HA -0.006 4.350 4.340 0.026 0.000 0.203 426 L C 2.473 179.204 176.870 -0.232 0.000 1.078 426 L CA 1.284 55.843 54.840 -0.467 0.000 0.780 426 L CB -0.521 41.014 42.059 -0.874 0.000 0.939 426 L HN 0.343 nan 8.230 nan 0.000 0.451 427 T N -4.338 110.114 114.554 -0.169 0.000 3.072 427 T HA -0.148 4.217 4.350 0.026 0.000 0.266 427 T C 1.266 175.872 174.700 -0.156 0.000 1.127 427 T CA 1.084 63.065 62.100 -0.198 0.000 1.107 427 T CB -0.217 68.480 68.868 -0.285 0.000 0.910 427 T HN 0.095 nan 8.240 nan 0.000 0.513 428 D N 1.083 121.429 120.400 -0.090 0.000 2.349 428 D HA 0.102 4.757 4.640 0.026 0.000 0.214 428 D C -0.248 176.030 176.300 -0.036 0.000 1.063 428 D CA -0.177 53.782 54.000 -0.069 0.000 0.847 428 D CB -0.109 40.659 40.800 -0.053 0.000 0.933 428 D HN 0.304 nan 8.370 nan 0.000 0.513 429 D N -0.101 120.293 120.400 -0.010 0.000 2.317 429 D HA 0.120 4.776 4.640 0.026 0.000 0.234 429 D C -1.651 174.700 176.300 0.086 0.000 1.112 429 D CA -2.188 51.846 54.000 0.057 0.000 0.840 429 D CB 1.997 42.876 40.800 0.132 0.000 1.078 429 D HN -0.023 nan 8.370 nan 0.000 0.486 430 P HA -0.111 nan 4.420 nan 0.000 0.221 430 P C 0.930 178.237 177.300 0.011 0.000 1.145 430 P CA 0.765 63.875 63.100 0.017 0.000 0.795 430 P CB 0.289 31.986 31.700 -0.004 0.000 0.775 431 R N -1.842 118.672 120.500 0.024 0.000 2.237 431 R HA -0.066 4.289 4.340 0.026 0.000 0.219 431 R C 1.403 177.575 176.300 -0.213 0.000 1.080 431 R CA 1.018 57.064 56.100 -0.091 0.000 0.995 431 R CB -0.546 29.686 30.300 -0.112 0.000 0.875 431 R HN 0.327 nan 8.270 nan 0.000 0.462 432 W N -0.276 120.970 121.300 -0.091 0.000 3.220 432 W HA 0.151 4.826 4.660 0.025 0.000 0.328 432 W C 1.413 177.874 176.519 -0.097 0.000 1.205 432 W CA -0.566 56.725 57.345 -0.090 0.000 1.773 432 W CB 0.112 29.517 29.460 -0.092 0.000 1.086 432 W HN -0.002 nan 8.180 nan 0.000 0.622 433 L N 2.270 123.522 121.223 0.049 0.000 2.012 433 L HA -0.059 4.297 4.340 0.026 0.000 0.210 433 L C -0.673 176.163 176.870 -0.056 0.000 1.073 433 L CA 2.301 57.130 54.840 -0.018 0.000 0.748 433 L CB -1.701 40.336 42.059 -0.036 0.000 0.891 433 L HN -0.226 nan 8.230 nan 0.000 0.431 434 P HA -0.143 nan 4.420 nan 0.000 0.214 434 P C 1.642 178.888 177.300 -0.090 0.000 1.163 434 P CA 2.212 65.250 63.100 -0.103 0.000 0.883 434 P CB -0.249 31.380 31.700 -0.119 0.000 0.788 435 A N -0.980 121.797 122.820 -0.072 0.000 1.908 435 A HA -0.212 4.123 4.320 0.026 0.000 0.218 435 A C 2.244 179.839 177.584 0.018 0.000 1.181 435 A CA 2.105 54.132 52.037 -0.017 0.000 0.627 435 A CB -1.523 17.493 19.000 0.027 0.000 0.818 435 A HN 0.112 nan 8.150 nan 0.000 0.445 436 M N 0.029 119.648 119.600 0.033 0.000 2.132 436 M HA -0.141 4.354 4.480 0.026 0.000 0.263 436 M C 2.557 178.804 176.300 -0.087 0.000 1.065 436 M CA 1.690 56.988 55.300 -0.004 0.000 1.122 436 M CB -0.370 32.210 32.600 -0.035 0.000 1.365 436 M HN 0.661 nan 8.290 nan 0.000 0.411 437 S N 0.588 116.209 115.700 -0.131 0.000 2.370 437 S HA -0.217 4.268 4.470 0.026 0.000 0.226 437 S C 1.623 176.058 174.600 -0.274 0.000 1.033 437 S CA 1.738 59.795 58.200 -0.239 0.000 1.011 437 S CB -0.553 62.491 63.200 -0.261 0.000 0.852 437 S HN 0.541 nan 8.310 nan 0.000 0.457 438 E N 0.802 120.890 120.200 -0.187 0.000 2.153 438 E HA -0.091 4.274 4.350 0.026 0.000 0.194 438 E C 2.460 178.972 176.600 -0.146 0.000 0.988 438 E CA 0.988 57.283 56.400 -0.175 0.000 0.811 438 E CB -0.115 29.518 29.700 -0.112 0.000 0.746 438 E HN 0.586 nan 8.360 nan 0.000 0.466 439 R N 0.048 120.492 120.500 -0.093 0.000 2.092 439 R HA -0.087 4.269 4.340 0.026 0.000 0.231 439 R C 2.306 178.563 176.300 -0.071 0.000 1.119 439 R CA 0.932 57.009 56.100 -0.039 0.000 0.970 439 R CB -0.094 30.224 30.300 0.029 0.000 0.864 439 R HN 0.030 nan 8.270 nan 0.000 0.440 440 V N 0.339 120.167 119.914 -0.143 0.000 2.331 440 V HA -0.187 3.948 4.120 0.026 0.000 0.242 440 V C 2.513 178.425 176.094 -0.303 0.000 1.034 440 V CA 2.147 64.341 62.300 -0.176 0.000 1.027 440 V CB -0.409 31.303 31.823 -0.185 0.000 0.667 440 V HN 0.542 nan 8.190 nan 0.000 0.457 441 T N -0.771 113.473 114.554 -0.517 0.000 2.746 441 T HA -0.232 4.133 4.350 0.026 0.000 0.267 441 T C 1.936 176.467 174.700 -0.281 0.000 1.039 441 T CA 1.353 63.056 62.100 -0.661 0.000 1.142 441 T CB -0.406 67.879 68.868 -0.970 0.000 0.866 441 T HN 0.398 nan 8.240 nan 0.000 0.444 442 R N 0.244 120.608 120.500 -0.226 0.000 2.189 442 R HA 0.221 4.576 4.340 0.026 0.000 0.223 442 R C 2.602 178.820 176.300 -0.135 0.000 1.092 442 R CA 1.259 57.264 56.100 -0.159 0.000 0.989 442 R CB -0.431 29.785 30.300 -0.140 0.000 0.876 442 R HN 0.508 nan 8.270 nan 0.000 0.457 443 M N 0.402 119.929 119.600 -0.121 0.000 2.123 443 M HA -0.113 4.383 4.480 0.026 0.000 0.263 443 M C 1.803 178.025 176.300 -0.130 0.000 1.069 443 M CA 1.577 56.836 55.300 -0.069 0.000 1.133 443 M CB 0.141 32.743 32.600 0.003 0.000 1.356 443 M HN -0.034 nan 8.290 nan 0.000 0.415 444 V N 1.141 120.871 119.914 -0.306 0.000 2.343 444 V HA -0.275 3.860 4.120 0.026 0.000 0.247 444 V C 2.280 178.257 176.094 -0.195 0.000 1.051 444 V CA 1.965 63.953 62.300 -0.521 0.000 1.036 444 V CB -0.873 30.629 31.823 -0.535 0.000 0.654 444 V HN 0.593 nan 8.190 nan 0.000 0.451 445 Q N -0.647 119.078 119.800 -0.125 0.000 2.226 445 Q HA -0.215 4.140 4.340 0.026 0.000 0.204 445 Q C 2.440 178.351 176.000 -0.148 0.000 0.975 445 Q CA 1.460 57.196 55.803 -0.111 0.000 0.866 445 Q CB -0.169 28.526 28.738 -0.073 0.000 0.915 445 Q HN 0.537 nan 8.270 nan 0.000 0.440 446 R N 0.306 120.713 120.500 -0.156 0.000 2.100 446 R HA -0.087 4.269 4.340 0.026 0.000 0.220 446 R C 0.485 176.713 176.300 -0.121 0.000 1.091 446 R CA 1.273 57.258 56.100 -0.191 0.000 0.986 446 R CB 0.440 30.627 30.300 -0.189 0.000 0.888 446 R HN 0.121 nan 8.270 nan 0.000 0.444 447 D N -0.423 119.975 120.400 -0.004 0.000 2.433 447 D HA 0.006 4.661 4.640 0.026 0.000 0.211 447 D C 1.205 177.644 176.300 0.232 0.000 1.114 447 D CA 0.082 54.139 54.000 0.097 0.000 0.837 447 D CB 0.321 41.140 40.800 0.031 0.000 0.984 447 D HN 0.343 nan 8.370 nan 0.000 0.505 448 R N 0.505 121.150 120.500 0.241 0.000 2.293 448 R HA 0.031 4.386 4.340 0.026 0.000 0.219 448 R C 0.678 176.989 176.300 0.018 0.000 1.091 448 R CA 0.826 57.078 56.100 0.253 0.000 1.004 448 R CB -0.219 30.147 30.300 0.108 0.000 0.865 448 R HN -0.095 nan 8.270 nan 0.000 0.469 449 N N 0.309 118.943 118.700 -0.110 0.000 2.336 449 N HA 0.004 4.759 4.740 0.026 0.000 0.189 449 N C -0.524 174.854 175.510 -0.220 0.000 1.113 449 N CA 0.212 53.161 53.050 -0.169 0.000 0.858 449 N CB 0.119 38.466 38.487 -0.233 0.000 0.970 449 N HN 0.284 nan 8.380 nan 0.000 0.471 450 H N 1.469 120.483 119.070 -0.093 0.000 2.800 450 H HA 0.096 4.667 4.556 0.025 0.000 0.291 450 H C -1.190 173.993 175.328 -0.242 0.000 1.076 450 H CA -1.181 54.794 56.048 -0.122 0.000 1.452 450 H CB 1.481 31.212 29.762 -0.051 0.000 1.461 450 H HN 0.074 nan 8.280 nan 0.000 0.488 451 P HA -0.150 nan 4.420 nan 0.000 0.220 451 P C 1.418 178.258 177.300 -0.766 0.000 1.148 451 P CA 1.058 63.815 63.100 -0.571 0.000 0.803 451 P CB 0.296 31.441 31.700 -0.924 0.000 0.782 452 S N -0.719 114.635 115.700 -0.576 0.000 2.419 452 S HA -0.043 4.442 4.470 0.026 0.000 0.233 452 S C 1.128 175.697 174.600 -0.052 0.000 1.016 452 S CA 0.347 58.373 58.200 -0.290 0.000 0.974 452 S CB -1.527 61.660 63.200 -0.022 0.000 0.786 452 S HN -0.060 nan 8.310 nan 0.000 0.492 453 V N 3.715 123.576 119.914 -0.088 0.000 2.446 453 V HA 0.187 4.322 4.120 0.026 0.000 0.276 453 V C 1.177 177.139 176.094 -0.221 0.000 1.030 453 V CA 0.110 62.324 62.300 -0.144 0.000 1.033 453 V CB 0.285 31.930 31.823 -0.297 0.000 0.993 453 V HN 0.633 nan 8.190 nan 0.000 0.477 454 I N 2.704 123.200 120.570 -0.123 0.000 4.035 454 I HA 0.500 4.685 4.170 0.026 0.000 0.321 454 I C 0.402 176.405 176.117 -0.190 0.000 1.289 454 I CA 0.561 61.794 61.300 -0.113 0.000 1.236 454 I CB 0.448 38.462 38.000 0.022 0.000 1.076 454 I HN 0.327 nan 8.210 nan 0.000 0.418 455 I N 0.064 120.496 120.570 -0.231 0.000 2.752 455 I HA 0.352 4.538 4.170 0.026 0.000 0.295 455 I C -1.576 174.429 176.117 -0.187 0.000 1.219 455 I CA -0.402 60.801 61.300 -0.161 0.000 1.030 455 I CB 2.087 40.088 38.000 0.002 0.000 1.259 455 I HN 0.019 nan 8.210 nan 0.000 0.423 456 W N 3.850 125.198 121.300 0.081 0.000 2.438 456 W HA 0.640 5.313 4.660 0.021 0.000 0.324 456 W C 0.389 176.973 176.519 0.107 0.000 1.119 456 W CA -0.635 56.764 57.345 0.091 0.000 1.221 456 W CB 1.695 31.204 29.460 0.082 0.000 1.253 456 W HN 0.318 nan 8.180 nan 0.000 0.555 457 S N 2.595 118.526 115.700 0.385 0.000 2.513 457 S HA 0.407 4.893 4.470 0.026 0.000 0.299 457 S C 0.193 174.962 174.600 0.282 0.000 1.087 457 S CA -0.717 57.661 58.200 0.297 0.000 1.012 457 S CB 0.876 64.206 63.200 0.216 0.000 1.044 457 S HN 0.583 nan 8.310 nan 0.000 0.485 458 L N 3.965 125.349 121.223 0.269 0.000 2.610 458 L HA 0.339 4.694 4.340 0.026 0.000 0.232 458 L C 1.391 178.324 176.870 0.105 0.000 1.149 458 L CA 0.532 55.450 54.840 0.129 0.000 0.872 458 L CB -1.153 40.882 42.059 -0.041 0.000 0.992 458 L HN 1.008 nan 8.230 nan 0.000 0.447 459 G N -0.012 108.936 108.800 0.246 0.000 2.280 459 G HA2 -0.128 3.847 3.960 0.026 0.000 0.277 459 G HA3 -0.128 3.847 3.960 0.026 0.000 0.277 459 G C -1.621 173.489 174.900 0.350 0.000 1.288 459 G CA -0.587 44.665 45.100 0.253 0.000 1.075 459 G HN 0.168 nan 8.290 nan 0.000 0.480 460 N N 0.111 118.960 118.700 0.249 0.000 2.367 460 N HA 0.471 5.227 4.740 0.026 0.000 0.278 460 N C -0.465 175.011 175.510 -0.056 0.000 1.117 460 N CA 0.121 53.181 53.050 0.017 0.000 0.867 460 N CB 1.615 39.869 38.487 -0.389 0.000 1.649 460 N HN 0.893 nan 8.380 nan 0.000 0.479 461 E N 0.742 120.815 120.200 -0.211 0.000 2.160 461 E HA -0.176 4.189 4.350 0.026 0.000 0.180 461 E C -0.844 175.668 176.600 -0.145 0.000 1.452 461 E CA 0.818 57.002 56.400 -0.361 0.000 0.683 461 E CB -1.294 27.938 29.700 -0.781 0.000 1.072 461 E HN 0.450 nan 8.360 nan 0.000 0.332 462 S N -0.076 115.684 115.700 0.100 0.000 3.021 462 S HA 0.404 4.889 4.470 0.026 0.000 0.252 462 S C 0.622 175.394 174.600 0.286 0.000 0.996 462 S CA -0.181 58.137 58.200 0.196 0.000 1.084 462 S CB 1.425 64.790 63.200 0.274 0.000 1.021 462 S HN 0.858 nan 8.310 nan 0.000 0.566 463 G N 2.030 110.933 108.800 0.171 0.000 2.601 463 G HA2 -0.267 3.708 3.960 0.026 0.000 0.261 463 G HA3 -0.267 3.708 3.960 0.026 0.000 0.261 463 G C -0.512 174.593 174.900 0.342 0.000 1.289 463 G CA -0.074 45.129 45.100 0.172 0.000 0.920 463 G HN 0.653 nan 8.290 nan 0.000 0.571 464 H N 0.479 119.672 119.070 0.206 0.000 2.823 464 H HA 0.574 5.146 4.556 0.026 0.000 0.332 464 H C 0.270 175.767 175.328 0.282 0.000 0.980 464 H CA -0.066 56.146 56.048 0.274 0.000 1.286 464 H CB 0.723 30.578 29.762 0.155 0.000 1.541 464 H HN 1.073 nan 8.280 nan 0.000 0.521 465 G N 1.546 110.449 108.800 0.171 0.000 2.569 465 G HA2 0.450 4.426 3.960 0.026 0.000 0.300 465 G HA3 0.450 4.426 3.960 0.026 0.000 0.300 465 G C 0.568 175.347 174.900 -0.202 0.000 1.269 465 G CA -0.156 44.874 45.100 -0.116 0.000 0.959 465 G HN 0.676 nan 8.290 nan 0.000 0.478 466 A N 0.542 123.263 122.820 -0.164 0.000 1.978 466 A HA -0.116 4.220 4.320 0.026 0.000 0.220 466 A C 2.163 179.715 177.584 -0.053 0.000 1.170 466 A CA 1.969 53.950 52.037 -0.093 0.000 0.636 466 A CB -0.460 18.508 19.000 -0.054 0.000 0.810 466 A HN 0.550 nan 8.150 nan 0.000 0.448 467 N N -0.242 118.390 118.700 -0.113 0.000 2.149 467 N HA -0.170 4.585 4.740 0.026 0.000 0.188 467 N C 1.400 176.843 175.510 -0.112 0.000 1.019 467 N CA 1.823 54.793 53.050 -0.133 0.000 0.857 467 N CB -0.692 37.673 38.487 -0.205 0.000 0.997 467 N HN 0.801 nan 8.380 nan 0.000 0.426 468 H N 0.243 119.297 119.070 -0.026 0.000 2.357 468 H HA -0.029 4.542 4.556 0.025 0.000 0.301 468 H C 1.307 176.706 175.328 0.118 0.000 1.082 468 H CA 1.241 57.285 56.048 -0.005 0.000 1.342 468 H CB 0.141 29.912 29.762 0.015 0.000 1.389 468 H HN 0.184 nan 8.280 nan 0.000 0.511 469 D N 0.441 120.998 120.400 0.261 0.000 2.104 469 D HA -0.148 4.507 4.640 0.026 0.000 0.194 469 D C 2.326 178.775 176.300 0.247 0.000 0.994 469 D CA 1.229 55.380 54.000 0.252 0.000 0.830 469 D CB -0.464 40.448 40.800 0.187 0.000 0.959 469 D HN 0.425 nan 8.370 nan 0.000 0.452 470 A N 0.796 123.709 122.820 0.155 0.000 1.908 470 A HA -0.140 4.196 4.320 0.026 0.000 0.218 470 A C 2.433 180.125 177.584 0.180 0.000 1.181 470 A CA 1.060 53.181 52.037 0.139 0.000 0.627 470 A CB -0.779 18.261 19.000 0.068 0.000 0.818 470 A HN 0.213 nan 8.150 nan 0.000 0.445 471 L N -2.182 119.132 121.223 0.151 0.000 2.156 471 L HA -0.126 4.230 4.340 0.026 0.000 0.208 471 L C 2.572 179.583 176.870 0.236 0.000 1.095 471 L CA 1.460 56.389 54.840 0.150 0.000 0.770 471 L CB -0.677 41.401 42.059 0.032 0.000 0.914 471 L HN 0.622 nan 8.230 nan 0.000 0.439 472 Y N 1.359 121.745 120.300 0.144 0.000 2.128 472 Y HA -0.333 4.229 4.550 0.021 0.000 0.284 472 Y C 2.809 178.795 175.900 0.143 0.000 1.154 472 Y CA 1.835 60.023 58.100 0.147 0.000 1.149 472 Y CB -0.167 38.382 38.460 0.148 0.000 0.976 472 Y HN -0.029 nan 8.280 nan 0.000 0.505 473 R N -0.200 120.436 120.500 0.225 0.000 2.096 473 R HA -0.202 4.153 4.340 0.026 0.000 0.235 473 R C 2.063 178.375 176.300 0.021 0.000 1.127 473 R CA 1.919 58.072 56.100 0.088 0.000 0.968 473 R CB -1.354 29.066 30.300 0.199 0.000 0.861 473 R HN 0.648 nan 8.270 nan 0.000 0.440 474 W N 0.647 121.910 121.300 -0.062 0.000 2.317 474 W HA -0.184 4.491 4.660 0.025 0.000 0.318 474 W C 1.616 178.046 176.519 -0.149 0.000 1.227 474 W CA 2.203 59.495 57.345 -0.089 0.000 1.269 474 W CB -0.281 29.129 29.460 -0.083 0.000 1.155 474 W HN 0.088 nan 8.180 nan 0.000 0.484 475 I N 0.750 121.338 120.570 0.029 0.000 2.179 475 I HA -0.343 3.842 4.170 0.026 0.000 0.242 475 I C 2.449 178.361 176.117 -0.342 0.000 1.088 475 I CA 1.350 62.489 61.300 -0.268 0.000 1.357 475 I CB -0.810 37.099 38.000 -0.151 0.000 1.051 475 I HN -0.093 nan 8.210 nan 0.000 0.409 476 K N 0.435 120.645 120.400 -0.317 0.000 2.113 476 K HA -0.183 4.152 4.320 0.026 0.000 0.208 476 K C 2.290 178.751 176.600 -0.231 0.000 1.047 476 K CA 1.527 57.651 56.287 -0.271 0.000 0.928 476 K CB -0.568 31.731 32.500 -0.336 0.000 0.716 476 K HN 0.252 nan 8.250 nan 0.000 0.446 477 S N 0.921 116.451 115.700 -0.284 0.000 2.357 477 S HA -0.097 4.389 4.470 0.026 0.000 0.221 477 S C 2.082 176.466 174.600 -0.359 0.000 1.031 477 S CA 1.356 59.389 58.200 -0.277 0.000 0.982 477 S CB -0.183 62.856 63.200 -0.267 0.000 0.853 477 S HN 0.192 nan 8.310 nan 0.000 0.458 478 V N -0.695 118.855 119.914 -0.607 0.000 2.591 478 V HA 0.197 4.332 4.120 0.026 0.000 0.249 478 V C 0.406 176.266 176.094 -0.391 0.000 1.053 478 V CA 1.646 63.578 62.300 -0.614 0.000 1.068 478 V CB -0.466 30.733 31.823 -1.041 0.000 0.689 478 V HN 0.466 nan 8.190 nan 0.000 0.462 479 D N 0.090 120.305 120.400 -0.308 0.000 2.364 479 D HA 0.395 5.050 4.640 0.026 0.000 0.251 479 D C -2.326 173.961 176.300 -0.023 0.000 1.282 479 D CA -1.794 52.139 54.000 -0.112 0.000 0.927 479 D CB 1.660 42.475 40.800 0.027 0.000 1.267 479 D HN 0.150 nan 8.370 nan 0.000 0.531 480 P HA -0.040 nan 4.420 nan 0.000 0.233 480 P C 1.227 178.546 177.300 0.032 0.000 1.167 480 P CA 0.523 63.617 63.100 -0.011 0.000 0.770 480 P CB 0.185 31.874 31.700 -0.018 0.000 0.837 481 S N -1.352 114.376 115.700 0.047 0.000 2.515 481 S HA 0.028 4.513 4.470 0.026 0.000 0.231 481 S C 0.849 175.475 174.600 0.045 0.000 0.987 481 S CA 0.074 58.305 58.200 0.053 0.000 0.936 481 S CB -0.429 62.797 63.200 0.043 0.000 0.766 481 S HN 0.068 nan 8.310 nan 0.000 0.528 482 R N 1.014 121.552 120.500 0.064 0.000 2.628 482 R HA 0.562 4.918 4.340 0.026 0.000 0.288 482 R C -3.201 173.146 176.300 0.077 0.000 0.980 482 R CA -2.267 53.834 56.100 0.002 0.000 0.891 482 R CB 1.457 31.626 30.300 -0.219 0.000 1.188 482 R HN 0.132 nan 8.270 nan 0.000 0.450 483 P HA 0.078 nan 4.420 nan 0.000 0.270 483 P C -0.833 176.566 177.300 0.165 0.000 1.223 483 P CA -0.361 62.798 63.100 0.099 0.000 0.785 483 P CB 0.657 32.402 31.700 0.075 0.000 0.923 484 V N 2.171 122.209 119.914 0.207 0.000 2.495 484 V HA 0.410 4.545 4.120 0.026 0.000 0.298 484 V C 0.163 176.439 176.094 0.303 0.000 1.031 484 V CA -0.317 62.154 62.300 0.285 0.000 0.871 484 V CB 1.228 33.182 31.823 0.218 0.000 0.988 484 V HN 0.606 nan 8.190 nan 0.000 0.432 485 Q N 3.737 123.698 119.800 0.269 0.000 2.458 485 Q HA 0.805 5.160 4.340 0.026 0.000 0.282 485 Q C -1.892 174.271 176.000 0.271 0.000 1.106 485 Q CA -0.946 54.983 55.803 0.210 0.000 0.814 485 Q CB 3.033 31.840 28.738 0.115 0.000 1.425 485 Q HN 0.621 nan 8.270 nan 0.000 0.437 486 Y N 0.189 120.503 120.300 0.024 0.000 2.357 486 Y HA 0.141 4.704 4.550 0.023 0.000 0.319 486 Y C -0.570 175.275 175.900 -0.092 0.000 1.225 486 Y CA -0.784 57.298 58.100 -0.030 0.000 1.095 486 Y CB 2.031 40.465 38.460 -0.044 0.000 1.302 486 Y HN 0.959 nan 8.280 nan 0.000 0.429 487 E N 3.374 123.070 120.200 -0.840 0.000 2.318 487 E HA 0.137 4.502 4.350 0.026 0.000 0.193 487 E C 0.650 176.813 176.600 -0.729 0.000 0.998 487 E CA 0.684 56.711 56.400 -0.622 0.000 0.859 487 E CB 0.280 29.759 29.700 -0.369 0.000 0.812 487 E HN 0.886 nan 8.360 nan 0.000 0.492 488 G N -0.019 107.930 108.800 -1.419 0.000 2.474 488 G HA2 0.216 4.191 3.960 0.026 0.000 0.233 488 G HA3 0.216 4.191 3.960 0.026 0.000 0.233 488 G C 0.816 175.559 174.900 -0.261 0.000 1.278 488 G CA 0.308 44.981 45.100 -0.711 0.000 0.861 488 G HN 0.350 nan 8.290 nan 0.000 0.567 489 G N -0.408 108.353 108.800 -0.065 0.000 2.160 489 G HA2 0.229 4.204 3.960 0.026 0.000 0.251 489 G HA3 0.229 4.204 3.960 0.026 0.000 0.251 489 G C 1.261 176.173 174.900 0.021 0.000 1.008 489 G CA 0.993 46.119 45.100 0.044 0.000 0.724 489 G HN 2.625 nan 8.290 nan 0.000 0.514 490 G N -1.619 107.185 108.800 0.005 0.000 2.205 490 G HA2 0.436 4.411 3.960 0.026 0.000 0.180 490 G HA3 0.436 4.411 3.960 0.026 0.000 0.180 490 G C 1.048 176.069 174.900 0.202 0.000 1.004 490 G CA 1.300 46.468 45.100 0.114 0.000 0.670 490 G HN 2.337 nan 8.290 nan 0.000 0.496 491 A N -0.182 122.636 122.820 -0.002 0.000 3.721 491 A HA -0.127 4.208 4.320 0.026 0.000 0.270 491 A C 1.090 178.597 177.584 -0.129 0.000 1.036 491 A CA 2.652 54.624 52.037 -0.107 0.000 1.102 491 A CB -1.763 17.157 19.000 -0.133 0.000 1.100 491 A HN 2.132 nan 8.150 nan 0.000 0.887 492 D N -0.907 119.503 120.400 0.017 0.000 2.785 492 D HA 0.316 4.971 4.640 0.026 0.000 0.324 492 D C 0.369 176.662 176.300 -0.012 0.000 1.523 492 D CA 0.854 54.866 54.000 0.021 0.000 0.789 492 D CB -1.116 39.836 40.800 0.253 0.000 1.171 492 D HN 0.832 nan 8.370 nan 0.000 0.447 493 T N -2.401 112.076 114.554 -0.128 0.000 2.689 493 T HA 0.206 4.571 4.350 0.026 0.000 0.308 493 T C 1.583 176.144 174.700 -0.232 0.000 1.021 493 T CA 0.503 62.458 62.100 -0.242 0.000 0.973 493 T CB 0.722 69.204 68.868 -0.643 0.000 1.113 493 T HN 0.073 nan 8.240 nan 0.000 0.522 494 T N -2.537 111.872 114.554 -0.242 0.000 3.163 494 T HA 0.253 4.618 4.350 0.026 0.000 0.260 494 T C 1.412 175.863 174.700 -0.415 0.000 1.156 494 T CA 0.232 62.205 62.100 -0.213 0.000 1.072 494 T CB -0.490 68.335 68.868 -0.072 0.000 0.937 494 T HN 0.834 nan 8.240 nan 0.000 0.528 495 A N 0.434 123.028 122.820 -0.377 0.000 2.545 495 A HA 0.534 4.869 4.320 0.026 0.000 0.277 495 A C 0.730 178.177 177.584 -0.228 0.000 1.301 495 A CA -0.388 51.420 52.037 -0.381 0.000 0.935 495 A CB 0.131 19.168 19.000 0.062 0.000 1.093 495 A HN 0.408 nan 8.150 nan 0.000 0.519 496 T N -1.270 113.141 114.554 -0.237 0.000 2.971 496 T HA 0.352 4.718 4.350 0.026 0.000 0.304 496 T C -0.567 174.154 174.700 0.035 0.000 1.038 496 T CA -0.425 61.680 62.100 0.007 0.000 1.007 496 T CB 1.186 70.047 68.868 -0.011 0.000 1.055 496 T HN 0.097 nan 8.240 nan 0.000 0.451 497 D N 2.956 123.462 120.400 0.176 0.000 2.347 497 D HA 0.240 4.895 4.640 0.026 0.000 0.213 497 D C 0.391 176.721 176.300 0.050 0.000 0.985 497 D CA 0.784 54.868 54.000 0.140 0.000 0.879 497 D CB 0.389 41.303 40.800 0.189 0.000 0.919 497 D HN 0.545 nan 8.370 nan 0.000 0.526 498 I N 0.936 121.517 120.570 0.019 0.000 2.498 498 I HA 0.247 4.432 4.170 0.026 0.000 0.290 498 I C -0.160 175.888 176.117 -0.114 0.000 1.032 498 I CA -0.883 60.393 61.300 -0.041 0.000 1.073 498 I CB 2.810 40.799 38.000 -0.018 0.000 1.251 498 I HN -0.349 nan 8.210 nan 0.000 0.426 499 I N 5.828 126.280 120.570 -0.196 0.000 2.494 499 I HA 0.026 4.212 4.170 0.026 0.000 0.289 499 I C 0.263 176.161 176.117 -0.366 0.000 1.106 499 I CA 0.079 61.156 61.300 -0.372 0.000 1.369 499 I CB 0.109 37.767 38.000 -0.571 0.000 1.410 499 I HN 0.691 nan 8.210 nan 0.000 0.523 500 C N 5.756 124.861 119.300 -0.326 0.000 3.290 500 C HA 0.466 4.942 4.460 0.026 0.000 0.206 500 C C -2.089 172.769 174.990 -0.219 0.000 1.639 500 C CA -2.302 56.582 59.018 -0.222 0.000 1.408 500 C CB -0.922 26.745 27.740 -0.122 0.000 2.197 500 C HN 0.415 nan 8.230 nan 0.000 0.508 501 P HA 0.276 nan 4.420 nan 0.000 0.271 501 P C -0.435 176.823 177.300 -0.070 0.000 1.244 501 P CA 0.448 63.458 63.100 -0.150 0.000 0.793 501 P CB 0.699 32.336 31.700 -0.105 0.000 0.984 502 M N -0.063 119.527 119.600 -0.017 0.000 2.181 502 M HA 0.448 4.943 4.480 0.026 0.000 0.323 502 M C -0.769 175.531 176.300 -0.001 0.000 1.004 502 M CA -0.707 54.488 55.300 -0.176 0.000 0.941 502 M CB 1.329 33.838 32.600 -0.152 0.000 1.579 502 M HN 0.331 nan 8.290 nan 0.000 0.427 503 Y N -0.391 120.091 120.300 0.304 0.000 4.668 503 Y HA -0.227 4.339 4.550 0.027 0.000 0.234 503 Y C 0.586 176.670 175.900 0.307 0.000 1.056 503 Y CA 0.453 58.736 58.100 0.304 0.000 2.025 503 Y CB -2.265 36.348 38.460 0.254 0.000 1.613 503 Y HN 0.981 nan 8.280 nan 0.000 0.653 504 A N 1.294 124.339 122.820 0.375 0.000 2.477 504 A HA 0.524 4.860 4.320 0.026 0.000 0.246 504 A C 0.754 178.567 177.584 0.382 0.000 1.078 504 A CA -0.340 51.921 52.037 0.373 0.000 0.770 504 A CB 0.350 19.618 19.000 0.447 0.000 1.011 504 A HN 0.416 nan 8.150 nan 0.000 0.494 505 R N 1.478 122.126 120.500 0.248 0.000 2.546 505 R HA 0.343 4.698 4.340 0.026 0.000 0.266 505 R C 1.015 177.282 176.300 -0.055 0.000 1.086 505 R CA -0.741 55.430 56.100 0.117 0.000 1.160 505 R CB 0.607 30.946 30.300 0.065 0.000 1.138 505 R HN 0.483 nan 8.270 nan 0.000 0.567 506 V N 0.614 120.333 119.914 -0.327 0.000 2.270 506 V HA -0.200 3.935 4.120 0.026 0.000 0.245 506 V C 0.976 176.952 176.094 -0.197 0.000 1.043 506 V CA 1.856 63.928 62.300 -0.379 0.000 1.014 506 V CB -0.251 31.222 31.823 -0.582 0.000 0.645 506 V HN 0.744 nan 8.190 nan 0.000 0.447 507 D N -1.463 118.852 120.400 -0.141 0.000 2.454 507 D HA 0.111 4.767 4.640 0.026 0.000 0.214 507 D C 0.862 177.142 176.300 -0.035 0.000 1.088 507 D CA 0.071 54.024 54.000 -0.080 0.000 0.855 507 D CB 0.740 41.497 40.800 -0.071 0.000 1.025 507 D HN 0.472 nan 8.370 nan 0.000 0.502 508 E N 1.801 121.985 120.200 -0.027 0.000 2.174 508 E HA 0.111 4.476 4.350 0.026 0.000 0.282 508 E C -0.798 175.795 176.600 -0.012 0.000 0.992 508 E CA -0.602 55.789 56.400 -0.014 0.000 0.803 508 E CB 0.991 30.685 29.700 -0.010 0.000 1.090 508 E HN -0.167 nan 8.360 nan 0.000 0.396 509 D N 3.366 123.758 120.400 -0.013 0.000 2.339 509 D HA 0.117 4.772 4.640 0.026 0.000 0.245 509 D C -0.508 175.670 176.300 -0.203 0.000 1.115 509 D CA 0.236 54.211 54.000 -0.043 0.000 0.917 509 D CB 1.067 41.906 40.800 0.065 0.000 1.192 509 D HN 0.411 nan 8.370 nan 0.000 0.428 510 Q N 1.216 120.763 119.800 -0.421 0.000 2.932 510 Q HA 0.232 4.587 4.340 0.026 0.000 0.248 510 Q C -2.219 173.073 176.000 -1.180 0.000 0.982 510 Q CA -1.488 53.856 55.803 -0.766 0.000 0.730 510 Q CB 2.191 30.480 28.738 -0.748 0.000 1.249 510 Q HN 0.154 nan 8.270 nan 0.000 0.476 511 P HA -0.030 nan 4.420 nan 0.000 0.232 511 P C -0.610 176.355 177.300 -0.558 0.000 1.738 511 P CA 0.010 62.655 63.100 -0.757 0.000 0.948 511 P CB -0.729 30.742 31.700 -0.381 0.000 1.943 512 F N 2.536 122.312 119.950 -0.291 0.000 2.602 512 F HA 0.083 4.625 4.527 0.024 0.000 0.367 512 F C -0.912 174.779 175.800 -0.181 0.000 1.126 512 F CA -2.152 55.735 58.000 -0.189 0.000 1.321 512 F CB -0.654 38.254 39.000 -0.153 0.000 1.094 512 F HN 0.090 nan 8.300 nan 0.000 0.594 513 P HA 0.066 nan 4.420 nan 0.000 0.268 513 P C 0.355 177.671 177.300 0.027 0.000 1.205 513 P CA 0.916 64.030 63.100 0.024 0.000 0.771 513 P CB 1.275 32.990 31.700 0.026 0.000 0.858 514 A N 2.736 125.565 122.820 0.015 0.000 2.617 514 A HA -0.259 4.077 4.320 0.026 0.000 0.236 514 A C 0.820 178.418 177.584 0.024 0.000 0.514 514 A CA 2.090 54.143 52.037 0.026 0.000 1.126 514 A CB -2.748 16.268 19.000 0.027 0.000 1.393 514 A HN 0.728 nan 8.150 nan 0.000 0.693 515 V N -3.171 116.753 119.914 0.017 0.000 2.647 515 V HA 0.528 4.663 4.120 0.026 0.000 0.305 515 V C -2.281 173.811 176.094 -0.002 0.000 1.162 515 V CA -1.251 61.063 62.300 0.023 0.000 1.248 515 V CB 0.404 32.246 31.823 0.032 0.000 1.508 515 V HN 0.475 nan 8.190 nan 0.000 0.647 516 P HA 0.165 nan 4.420 nan 0.000 0.268 516 P C -0.518 176.371 177.300 -0.685 0.000 1.208 516 P CA 0.366 63.071 63.100 -0.659 0.000 0.777 516 P CB 0.833 31.640 31.700 -1.487 0.000 0.875 517 K N 2.103 122.113 120.400 -0.650 0.000 2.484 517 K HA 0.195 4.530 4.320 0.026 0.000 0.226 517 K C -0.424 175.884 176.600 -0.487 0.000 1.031 517 K CA -0.266 55.839 56.287 -0.303 0.000 1.026 517 K CB 0.346 32.931 32.500 0.142 0.000 1.412 517 K HN 0.468 nan 8.250 nan 0.000 0.492 518 W N 1.251 122.199 121.300 -0.587 0.000 2.126 518 W HA 0.052 4.728 4.660 0.026 0.000 0.346 518 W C 1.356 177.843 176.519 -0.054 0.000 1.279 518 W CA -0.429 56.666 57.345 -0.417 0.000 1.259 518 W CB 0.443 29.464 29.460 -0.731 0.000 1.133 518 W HN 0.352 nan 8.180 nan 0.000 0.592 519 S N 3.009 118.838 115.700 0.216 0.000 2.558 519 S HA -0.081 4.404 4.470 0.026 0.000 0.293 519 S C 1.195 175.932 174.600 0.227 0.000 1.292 519 S CA -0.123 58.162 58.200 0.142 0.000 1.063 519 S CB 0.156 63.391 63.200 0.058 0.000 0.831 519 S HN 0.516 nan 8.310 nan 0.000 0.499 520 I N 2.100 122.778 120.570 0.179 0.000 2.286 520 I HA -0.148 4.037 4.170 0.026 0.000 0.248 520 I C 2.010 178.148 176.117 0.035 0.000 1.115 520 I CA 1.301 62.711 61.300 0.183 0.000 1.392 520 I CB -0.437 37.620 38.000 0.095 0.000 1.065 520 I HN 0.601 nan 8.210 nan 0.000 0.418 521 K N 1.526 121.837 120.400 -0.147 0.000 2.097 521 K HA -0.161 4.174 4.320 0.026 0.000 0.205 521 K C 2.289 178.865 176.600 -0.040 0.000 1.050 521 K CA 1.716 57.816 56.287 -0.313 0.000 0.938 521 K CB -0.191 32.032 32.500 -0.461 0.000 0.718 521 K HN 0.399 nan 8.250 nan 0.000 0.442 522 K N 0.063 120.470 120.400 0.011 0.000 2.103 522 K HA -0.157 4.178 4.320 0.026 0.000 0.204 522 K C 1.880 178.497 176.600 0.027 0.000 1.052 522 K CA 0.791 57.075 56.287 -0.005 0.000 0.945 522 K CB -0.076 32.392 32.500 -0.052 0.000 0.722 522 K HN 0.194 nan 8.250 nan 0.000 0.443 523 W N 2.161 123.439 121.300 -0.038 0.000 2.321 523 W HA -0.197 4.474 4.660 0.019 0.000 0.306 523 W C 1.606 178.099 176.519 -0.043 0.000 1.217 523 W CA 1.208 58.538 57.345 -0.025 0.000 1.257 523 W CB -0.642 28.878 29.460 0.100 0.000 1.145 523 W HN 0.102 nan 8.180 nan 0.000 0.509 524 L N 0.765 122.143 121.223 0.259 0.000 2.129 524 L HA -0.252 4.104 4.340 0.026 0.000 0.212 524 L C 2.143 179.078 176.870 0.108 0.000 1.087 524 L CA 1.987 56.913 54.840 0.143 0.000 0.757 524 L CB -0.982 41.149 42.059 0.119 0.000 0.896 524 L HN -0.019 nan 8.230 nan 0.000 0.434 525 S N -1.464 114.284 115.700 0.081 0.000 2.582 525 S HA 0.294 4.779 4.470 0.026 0.000 0.234 525 S C 0.519 175.106 174.600 -0.022 0.000 0.961 525 S CA -0.553 57.666 58.200 0.032 0.000 0.953 525 S CB -0.390 62.828 63.200 0.029 0.000 0.800 525 S HN 0.141 nan 8.310 nan 0.000 0.471 526 L N 1.702 122.900 121.223 -0.042 0.000 2.482 526 L HA 0.255 4.610 4.340 0.026 0.000 0.273 526 L C -2.251 174.582 176.870 -0.062 0.000 1.228 526 L CA -1.885 52.878 54.840 -0.129 0.000 0.827 526 L CB -0.414 41.528 42.059 -0.195 0.000 1.099 526 L HN 0.002 nan 8.230 nan 0.000 0.494 527 P HA -0.022 nan 4.420 nan 0.000 0.258 527 P C 0.714 178.005 177.300 -0.016 0.000 1.172 527 P CA 1.102 64.176 63.100 -0.044 0.000 0.762 527 P CB 0.480 32.148 31.700 -0.053 0.000 0.764 528 G N 1.923 110.720 108.800 -0.004 0.000 2.205 528 G HA2 -0.287 3.688 3.960 0.026 0.000 0.261 528 G HA3 -0.287 3.688 3.960 0.026 0.000 0.261 528 G C 0.296 175.209 174.900 0.022 0.000 0.980 528 G CA 0.164 45.270 45.100 0.010 0.000 0.632 528 G HN 0.612 nan 8.290 nan 0.000 0.533 529 E N 1.008 121.226 120.200 0.031 0.000 2.338 529 E HA 0.578 4.943 4.350 0.026 0.000 0.272 529 E C 1.357 177.979 176.600 0.037 0.000 1.029 529 E CA 0.793 57.223 56.400 0.051 0.000 0.872 529 E CB 0.722 30.479 29.700 0.095 0.000 1.015 529 E HN 0.569 nan 8.360 nan 0.000 0.417 530 T N 0.526 115.098 114.554 0.030 0.000 3.186 530 T HA 0.313 4.678 4.350 0.026 0.000 0.292 530 T C 0.506 175.212 174.700 0.011 0.000 0.915 530 T CA -0.490 61.622 62.100 0.021 0.000 0.902 530 T CB 0.058 68.937 68.868 0.019 0.000 1.192 530 T HN 0.263 nan 8.240 nan 0.000 0.563 531 R N 2.450 122.951 120.500 0.002 0.000 2.637 531 R HA 0.462 4.818 4.340 0.026 0.000 0.269 531 R C -2.486 173.790 176.300 -0.040 0.000 1.089 531 R CA -1.777 54.312 56.100 -0.018 0.000 1.177 531 R CB 0.080 30.360 30.300 -0.032 0.000 1.091 531 R HN 0.243 nan 8.270 nan 0.000 0.540 532 P HA 0.083 nan 4.420 nan 0.000 0.274 532 P C -1.083 176.145 177.300 -0.120 0.000 1.246 532 P CA -0.133 62.923 63.100 -0.072 0.000 0.795 532 P CB 0.718 32.376 31.700 -0.069 0.000 1.006 533 L N 2.332 123.464 121.223 -0.152 0.000 2.376 533 L HA 0.565 4.920 4.340 0.026 0.000 0.275 533 L C -1.039 175.688 176.870 -0.238 0.000 0.987 533 L CA -0.628 54.083 54.840 -0.214 0.000 0.828 533 L CB 0.624 42.552 42.059 -0.218 0.000 1.249 533 L HN 0.228 nan 8.230 nan 0.000 0.409 534 I N 5.739 126.175 120.570 -0.224 0.000 2.468 534 I HA 0.265 4.451 4.170 0.026 0.000 0.285 534 I C -0.736 175.290 176.117 -0.152 0.000 1.039 534 I CA -0.568 60.587 61.300 -0.242 0.000 1.074 534 I CB 1.948 39.864 38.000 -0.140 0.000 1.228 534 I HN 0.469 nan 8.210 nan 0.000 0.436 535 L N 5.581 126.682 121.223 -0.203 0.000 2.455 535 L HA 0.025 4.380 4.340 0.026 0.000 0.272 535 L C 1.503 178.460 176.870 0.144 0.000 1.174 535 L CA -0.089 54.704 54.840 -0.078 0.000 0.869 535 L CB 0.661 42.641 42.059 -0.132 0.000 1.130 535 L HN 0.867 nan 8.230 nan 0.000 0.474 536 C N 0.267 119.634 119.300 0.113 0.000 2.448 536 C HA 0.135 4.610 4.460 0.026 0.000 0.280 536 C C 0.569 175.725 174.990 0.276 0.000 1.398 536 C CA -0.186 58.947 59.018 0.191 0.000 1.774 536 C CB -1.131 26.628 27.740 0.032 0.000 1.888 536 C HN 0.825 nan 8.230 nan 0.000 0.519 537 E N -0.784 119.512 120.200 0.160 0.000 2.321 537 E HA 0.597 4.962 4.350 0.026 0.000 0.281 537 E C -1.383 175.165 176.600 -0.088 0.000 0.910 537 E CA -0.400 56.077 56.400 0.127 0.000 0.770 537 E CB 1.828 31.471 29.700 -0.095 0.000 1.225 537 E HN 0.679 nan 8.360 nan 0.000 0.417 538 Y N -1.151 119.142 120.300 -0.012 0.000 2.713 538 Y HA 0.626 5.192 4.550 0.028 0.000 0.335 538 Y C -0.799 175.293 175.900 0.320 0.000 1.222 538 Y CA -0.867 57.238 58.100 0.008 0.000 1.061 538 Y CB 0.930 39.238 38.460 -0.254 0.000 1.314 538 Y HN 0.707 nan 8.280 nan 0.000 0.453 539 A N 2.036 124.963 122.820 0.180 0.000 2.183 539 A HA -0.261 4.075 4.320 0.026 0.000 0.278 539 A C -0.492 177.252 177.584 0.266 0.000 1.404 539 A CA 1.021 53.151 52.037 0.156 0.000 0.737 539 A CB -2.389 16.579 19.000 -0.053 0.000 1.172 539 A HN 1.107 nan 8.150 nan 0.000 0.338 540 H N 1.056 120.303 119.070 0.294 0.000 3.215 540 H HA 0.296 4.867 4.556 0.025 0.000 0.253 540 H C 1.080 176.495 175.328 0.145 0.000 1.102 540 H CA 0.782 57.011 56.048 0.301 0.000 1.482 540 H CB 0.352 30.158 29.762 0.073 0.000 1.542 540 H HN 0.820 nan 8.280 nan 0.000 0.498 541 A N 6.629 129.399 122.820 -0.083 0.000 2.840 541 A HA 0.065 4.401 4.320 0.026 0.000 0.269 541 A C 0.869 178.322 177.584 -0.219 0.000 1.439 541 A CA -0.411 51.545 52.037 -0.135 0.000 1.083 541 A CB -0.646 18.283 19.000 -0.118 0.000 1.019 541 A HN 0.797 nan 8.150 nan 0.000 0.607 542 M N 1.531 120.977 119.600 -0.257 0.000 2.156 542 M HA 0.435 4.930 4.480 0.026 0.000 0.345 542 M C 0.998 177.099 176.300 -0.332 0.000 1.398 542 M CA 1.285 56.425 55.300 -0.268 0.000 1.148 542 M CB -0.242 32.261 32.600 -0.162 0.000 1.663 542 M HN 0.839 nan 8.290 nan 0.000 0.464 543 G N 4.240 112.784 108.800 -0.428 0.000 2.547 543 G HA2 -0.332 3.644 3.960 0.026 0.000 0.271 543 G HA3 -0.332 3.644 3.960 0.026 0.000 0.271 543 G C -0.216 174.133 174.900 -0.918 0.000 1.209 543 G CA -0.028 44.644 45.100 -0.715 0.000 0.959 543 G HN 0.830 nan 8.290 nan 0.000 0.563 544 N N 1.285 119.296 118.700 -1.148 0.000 2.466 544 N HA 0.481 5.237 4.740 0.026 0.000 0.263 544 N C 0.105 175.335 175.510 -0.466 0.000 1.178 544 N CA 1.125 53.678 53.050 -0.829 0.000 0.983 544 N CB 0.434 38.436 38.487 -0.807 0.000 1.331 544 N HN 0.872 nan 8.380 nan 0.000 0.500 545 S N 2.203 117.713 115.700 -0.315 0.000 3.121 545 S HA 0.560 5.045 4.470 0.026 0.000 0.324 545 S C -0.087 174.440 174.600 -0.123 0.000 1.192 545 S CA -0.298 57.780 58.200 -0.204 0.000 0.937 545 S CB -0.055 63.038 63.200 -0.177 0.000 1.336 545 S HN 0.352 nan 8.310 nan 0.000 0.664 546 L N 0.070 121.264 121.223 -0.049 0.000 4.613 546 L HA -0.047 4.308 4.340 0.026 0.000 0.409 546 L C 0.436 177.353 176.870 0.077 0.000 1.100 546 L CA 0.927 55.770 54.840 0.005 0.000 1.029 546 L CB -1.658 40.321 42.059 -0.134 0.000 2.137 546 L HN 0.738 nan 8.230 nan 0.000 0.713 547 G N -0.954 107.860 108.800 0.024 0.000 2.406 547 G HA2 0.497 4.472 3.960 0.026 0.000 0.251 547 G HA3 0.497 4.472 3.960 0.026 0.000 0.251 547 G C 1.186 176.141 174.900 0.091 0.000 1.271 547 G CA 0.108 45.202 45.100 -0.010 0.000 0.859 547 G HN 1.351 nan 8.290 nan 0.000 0.540 548 G N 1.383 110.237 108.800 0.090 0.000 2.157 548 G HA2 -0.313 3.663 3.960 0.026 0.000 0.248 548 G HA3 -0.313 3.663 3.960 0.026 0.000 0.248 548 G C 0.963 176.057 174.900 0.324 0.000 0.979 548 G CA 0.725 45.938 45.100 0.189 0.000 0.650 548 G HN 0.748 nan 8.290 nan 0.000 0.529 549 F N 1.742 121.823 119.950 0.218 0.000 2.126 549 F HA 0.124 4.667 4.527 0.026 0.000 0.299 549 F C 2.686 178.704 175.800 0.363 0.000 1.096 549 F CA 2.591 60.790 58.000 0.331 0.000 1.255 549 F CB -0.448 38.686 39.000 0.224 0.000 0.997 549 F HN 0.340 nan 8.300 nan 0.000 0.479 550 A N -0.367 122.632 122.820 0.298 0.000 2.019 550 A HA -0.240 4.096 4.320 0.026 0.000 0.219 550 A C 2.281 179.897 177.584 0.054 0.000 1.164 550 A CA 1.731 53.873 52.037 0.174 0.000 0.644 550 A CB -0.821 18.285 19.000 0.178 0.000 0.805 550 A HN 0.455 nan 8.150 nan 0.000 0.449 551 K N -1.614 118.801 120.400 0.026 0.000 2.147 551 K HA -0.170 4.166 4.320 0.026 0.000 0.205 551 K C 1.657 178.044 176.600 -0.356 0.000 1.049 551 K CA 1.525 57.740 56.287 -0.120 0.000 0.936 551 K CB -0.289 32.147 32.500 -0.108 0.000 0.722 551 K HN 0.604 nan 8.250 nan 0.000 0.446 552 Y N -0.844 119.186 120.300 -0.450 0.000 2.163 552 Y HA -0.234 4.330 4.550 0.024 0.000 0.288 552 Y C 1.994 176.946 175.900 -1.582 0.000 1.136 552 Y CA 1.496 58.969 58.100 -1.045 0.000 1.147 552 Y CB -0.300 37.533 38.460 -1.046 0.000 0.987 552 Y HN 0.157 nan 8.280 nan 0.000 0.509 553 W N 0.096 120.963 121.300 -0.721 0.000 2.358 553 W HA -0.224 4.453 4.660 0.028 0.000 0.303 553 W C 2.634 178.986 176.519 -0.278 0.000 1.208 553 W CA 1.600 58.659 57.345 -0.476 0.000 1.274 553 W CB -0.630 28.640 29.460 -0.317 0.000 1.138 553 W HN 0.065 nan 8.180 nan 0.000 0.515 554 Q N 0.771 120.497 119.800 -0.123 0.000 2.084 554 Q HA -0.168 4.187 4.340 0.026 0.000 0.202 554 Q C 2.198 178.146 176.000 -0.087 0.000 0.978 554 Q CA 2.052 57.819 55.803 -0.060 0.000 0.844 554 Q CB -0.609 28.108 28.738 -0.036 0.000 0.898 554 Q HN 0.270 nan 8.270 nan 0.000 0.426 555 A N 0.103 122.786 122.820 -0.229 0.000 1.898 555 A HA -0.117 4.218 4.320 0.026 0.000 0.216 555 A C 2.060 179.636 177.584 -0.014 0.000 1.181 555 A CA 1.108 53.049 52.037 -0.159 0.000 0.620 555 A CB -1.100 17.690 19.000 -0.349 0.000 0.819 555 A HN 0.483 nan 8.150 nan 0.000 0.442 556 F N -0.409 119.377 119.950 -0.273 0.000 2.120 556 F HA -0.241 4.302 4.527 0.026 0.000 0.300 556 F C 2.765 178.474 175.800 -0.152 0.000 1.095 556 F CA 1.216 59.021 58.000 -0.324 0.000 1.249 556 F CB -0.167 38.416 39.000 -0.696 0.000 0.995 556 F HN 0.170 nan 8.300 nan 0.000 0.480 557 R N -0.067 120.494 120.500 0.102 0.000 2.153 557 R HA -0.140 4.216 4.340 0.026 0.000 0.218 557 R C 2.084 178.419 176.300 0.059 0.000 1.072 557 R CA 0.935 57.075 56.100 0.067 0.000 0.990 557 R CB -0.300 30.034 30.300 0.057 0.000 0.889 557 R HN 0.391 nan 8.270 nan 0.000 0.452 558 Q N -0.399 119.465 119.800 0.107 0.000 2.269 558 Q HA -0.034 4.321 4.340 0.026 0.000 0.201 558 Q C -0.495 175.519 176.000 0.023 0.000 0.946 558 Q CA 0.778 56.626 55.803 0.075 0.000 0.877 558 Q CB 0.444 29.254 28.738 0.120 0.000 0.963 558 Q HN 0.180 nan 8.270 nan 0.000 0.472 559 Y N 0.267 120.550 120.300 -0.028 0.000 2.342 559 Y HA 0.281 4.844 4.550 0.023 0.000 0.338 559 Y C -1.792 174.083 175.900 -0.043 0.000 0.965 559 Y CA -2.738 55.344 58.100 -0.029 0.000 1.159 559 Y CB 1.565 40.013 38.460 -0.020 0.000 1.157 559 Y HN 0.108 nan 8.280 nan 0.000 0.486 560 P HA -0.203 nan 4.420 nan 0.000 0.215 560 P C 1.140 178.441 177.300 0.001 0.000 1.163 560 P CA 1.978 65.077 63.100 -0.001 0.000 0.894 560 P CB 0.297 31.982 31.700 -0.026 0.000 0.791 561 R N -1.239 119.282 120.500 0.034 0.000 2.316 561 R HA 0.062 4.417 4.340 0.026 0.000 0.202 561 R C 0.488 176.769 176.300 -0.032 0.000 1.029 561 R CA 0.190 56.292 56.100 0.004 0.000 1.018 561 R CB -0.568 29.745 30.300 0.021 0.000 0.888 561 R HN 0.247 nan 8.270 nan 0.000 0.471 562 L N 1.791 123.013 121.223 -0.002 0.000 2.282 562 L HA 0.126 4.481 4.340 0.026 0.000 0.287 562 L C 0.606 177.325 176.870 -0.252 0.000 1.075 562 L CA 0.119 54.904 54.840 -0.091 0.000 0.839 562 L CB 1.138 43.215 42.059 0.031 0.000 1.219 562 L HN 0.069 nan 8.230 nan 0.000 0.434 563 Q N 2.679 122.254 119.800 -0.375 0.000 2.201 563 Q HA 0.297 4.652 4.340 0.026 0.000 0.217 563 Q C 0.869 176.448 176.000 -0.702 0.000 0.860 563 Q CA 0.148 55.694 55.803 -0.427 0.000 0.984 563 Q CB 0.953 29.535 28.738 -0.260 0.000 1.095 563 Q HN 0.953 nan 8.270 nan 0.000 0.477 564 G N -0.312 107.689 108.800 -1.331 0.000 2.418 564 G HA2 0.089 4.064 3.960 0.026 0.000 0.206 564 G HA3 0.089 4.064 3.960 0.026 0.000 0.206 564 G C -0.267 173.791 174.900 -1.403 0.000 1.202 564 G CA -0.755 43.173 45.100 -1.954 0.000 1.061 564 G HN 0.578 nan 8.290 nan 0.000 0.563 565 G N -2.197 106.080 108.800 -0.872 0.000 2.349 565 G HA2 0.637 4.612 3.960 0.026 0.000 0.294 565 G HA3 0.637 4.612 3.960 0.026 0.000 0.294 565 G C -1.815 172.982 174.900 -0.171 0.000 1.380 565 G CA -0.277 44.527 45.100 -0.492 0.000 0.811 565 G HN 1.146 nan 8.290 nan 0.000 0.519 566 F N 0.721 120.919 119.950 0.413 0.000 2.403 566 F HA 0.521 5.062 4.527 0.023 0.000 0.355 566 F C 0.797 176.882 175.800 0.475 0.000 1.119 566 F CA -0.749 57.505 58.000 0.423 0.000 1.007 566 F CB 2.011 41.157 39.000 0.243 0.000 1.194 566 F HN 0.259 nan 8.300 nan 0.000 0.443 567 V N 3.284 123.491 119.914 0.488 0.000 2.999 567 V HA -0.127 4.009 4.120 0.026 0.000 0.307 567 V C -0.260 175.991 176.094 0.262 0.000 1.084 567 V CA -0.241 62.151 62.300 0.153 0.000 1.155 567 V CB 0.853 32.777 31.823 0.167 0.000 0.975 567 V HN 0.763 nan 8.190 nan 0.000 0.490 568 W N 6.345 127.750 121.300 0.175 0.000 2.296 568 W HA 0.470 5.145 4.660 0.025 0.000 0.316 568 W C -0.855 175.718 176.519 0.091 0.000 1.022 568 W CA -0.627 56.862 57.345 0.240 0.000 1.324 568 W CB 1.268 31.044 29.460 0.526 0.000 1.227 568 W HN 0.915 nan 8.180 nan 0.000 0.409 569 D N 2.903 123.043 120.400 -0.433 0.000 2.825 569 D HA 0.066 4.722 4.640 0.026 0.000 0.327 569 D C 0.581 176.692 176.300 -0.315 0.000 1.277 569 D CA -0.560 53.030 54.000 -0.683 0.000 0.950 569 D CB 0.175 39.886 40.800 -1.814 0.000 1.438 569 D HN 0.414 nan 8.370 nan 0.000 0.526 570 W N 0.543 121.561 121.300 -0.469 0.000 2.381 570 W HA 0.098 4.773 4.660 0.026 0.000 0.321 570 W C -0.060 176.280 176.519 -0.297 0.000 1.196 570 W CA 1.273 58.399 57.345 -0.365 0.000 1.304 570 W CB 0.276 29.533 29.460 -0.338 0.000 1.166 570 W HN 0.159 nan 8.180 nan 0.000 0.473 571 V N 2.531 122.225 119.914 -0.368 0.000 2.656 571 V HA 0.231 4.366 4.120 0.026 0.000 0.307 571 V C -0.860 175.064 176.094 -0.283 0.000 1.051 571 V CA -0.824 61.212 62.300 -0.440 0.000 0.893 571 V CB 1.553 33.195 31.823 -0.303 0.000 0.999 571 V HN -0.094 nan 8.190 nan 0.000 0.426 572 D N 4.076 124.309 120.400 -0.278 0.000 2.488 572 D HA 0.107 4.762 4.640 0.026 0.000 0.238 572 D C 0.284 176.438 176.300 -0.242 0.000 1.138 572 D CA 0.577 54.465 54.000 -0.187 0.000 0.873 572 D CB 0.937 41.692 40.800 -0.075 0.000 1.183 572 D HN 0.599 nan 8.370 nan 0.000 0.458 573 Q N 1.055 120.641 119.800 -0.356 0.000 2.894 573 Q HA 0.113 4.468 4.340 0.026 0.000 0.358 573 Q C -0.012 175.902 176.000 -0.143 0.000 1.155 573 Q CA -0.317 55.024 55.803 -0.771 0.000 0.960 573 Q CB 0.042 28.453 28.738 -0.546 0.000 1.428 573 Q HN 0.361 nan 8.270 nan 0.000 0.437 574 S N -0.212 115.530 115.700 0.069 0.000 2.610 574 S HA 0.582 5.068 4.470 0.026 0.000 0.273 574 S C -0.096 174.688 174.600 0.306 0.000 1.274 574 S CA -0.733 57.635 58.200 0.279 0.000 1.023 574 S CB 1.295 64.640 63.200 0.242 0.000 0.962 574 S HN 0.329 nan 8.310 nan 0.000 0.523 575 L N 1.975 123.308 121.223 0.183 0.000 2.342 575 L HA 0.528 4.884 4.340 0.026 0.000 0.271 575 L C -0.316 176.465 176.870 -0.148 0.000 1.008 575 L CA -1.154 53.666 54.840 -0.033 0.000 0.818 575 L CB 1.446 43.367 42.059 -0.230 0.000 1.296 575 L HN 0.563 nan 8.230 nan 0.000 0.427 576 I N 2.488 122.918 120.570 -0.234 0.000 2.441 576 I HA 0.272 4.458 4.170 0.026 0.000 0.287 576 I C 0.053 175.786 176.117 -0.639 0.000 1.049 576 I CA -0.097 60.937 61.300 -0.443 0.000 1.381 576 I CB 1.060 38.826 38.000 -0.389 0.000 1.409 576 I HN 0.596 nan 8.210 nan 0.000 0.523 577 K N 5.535 125.266 120.400 -1.114 0.000 2.395 577 K HA 0.548 4.883 4.320 0.026 0.000 0.247 577 K C -1.568 174.188 176.600 -1.407 0.000 0.973 577 K CA -0.736 54.822 56.287 -1.215 0.000 0.828 577 K CB 2.427 33.991 32.500 -1.561 0.000 1.272 577 K HN 0.240 nan 8.250 nan 0.000 0.439 578 Y N 1.132 121.234 120.300 -0.330 0.000 2.352 578 Y HA 0.105 4.670 4.550 0.026 0.000 0.339 578 Y C 0.327 176.328 175.900 0.167 0.000 0.992 578 Y CA -0.963 57.106 58.100 -0.053 0.000 1.100 578 Y CB 1.179 39.618 38.460 -0.035 0.000 1.192 578 Y HN 0.693 nan 8.280 nan 0.000 0.458 579 D N 0.459 121.113 120.400 0.422 0.000 2.393 579 D HA -0.018 4.637 4.640 0.026 0.000 0.246 579 D C 0.593 177.011 176.300 0.195 0.000 1.275 579 D CA -0.231 53.961 54.000 0.320 0.000 0.979 579 D CB 0.643 41.569 40.800 0.209 0.000 1.101 579 D HN 0.658 nan 8.370 nan 0.000 0.505 580 E N -0.666 119.608 120.200 0.124 0.000 2.160 580 E HA -0.195 4.170 4.350 0.026 0.000 0.195 580 E C 1.007 177.649 176.600 0.071 0.000 0.991 580 E CA 1.258 57.704 56.400 0.077 0.000 0.810 580 E CB -0.387 29.339 29.700 0.043 0.000 0.742 580 E HN 0.337 nan 8.360 nan 0.000 0.466 581 N N -0.325 118.424 118.700 0.083 0.000 2.398 581 N HA 0.084 4.840 4.740 0.026 0.000 0.188 581 N C 0.796 176.359 175.510 0.089 0.000 1.122 581 N CA 0.874 53.967 53.050 0.071 0.000 0.866 581 N CB 0.983 39.510 38.487 0.067 0.000 0.970 581 N HN 0.345 nan 8.380 nan 0.000 0.462 582 G N 0.104 108.983 108.800 0.131 0.000 2.143 582 G HA2 -0.264 3.712 3.960 0.026 0.000 0.249 582 G HA3 -0.264 3.712 3.960 0.026 0.000 0.249 582 G C -0.176 174.882 174.900 0.265 0.000 0.981 582 G CA -0.338 44.851 45.100 0.149 0.000 0.665 582 G HN 0.282 nan 8.290 nan 0.000 0.528 583 N N 1.678 120.532 118.700 0.256 0.000 2.518 583 N HA 0.456 5.211 4.740 0.026 0.000 0.283 583 N C -2.422 173.253 175.510 0.276 0.000 1.119 583 N CA -1.077 52.124 53.050 0.252 0.000 0.983 583 N CB 1.704 40.297 38.487 0.177 0.000 1.139 583 N HN 0.184 nan 8.380 nan 0.000 0.465 584 P HA 0.287 nan 4.420 nan 0.000 0.277 584 P C -0.571 176.717 177.300 -0.020 0.000 1.240 584 P CA -0.317 62.657 63.100 -0.209 0.000 0.798 584 P CB 0.768 32.355 31.700 -0.188 0.000 0.979 585 W N -1.065 119.998 121.300 -0.394 0.000 3.213 585 W HA 0.384 5.059 4.660 0.025 0.000 0.318 585 W C -1.549 174.802 176.519 -0.280 0.000 1.248 585 W CA -0.994 56.146 57.345 -0.342 0.000 1.187 585 W CB 0.317 29.405 29.460 -0.620 0.000 1.403 585 W HN 0.109 nan 8.180 nan 0.000 0.556 586 S N 1.797 117.579 115.700 0.138 0.000 2.455 586 S HA 0.537 5.022 4.470 0.026 0.000 0.278 586 S C 0.261 175.029 174.600 0.280 0.000 1.216 586 S CA -0.139 58.135 58.200 0.123 0.000 1.055 586 S CB 0.690 64.018 63.200 0.214 0.000 0.939 586 S HN 0.598 nan 8.310 nan 0.000 0.494 587 A N 3.163 125.998 122.820 0.026 0.000 2.311 587 A HA 0.877 5.213 4.320 0.026 0.000 0.334 587 A C -0.606 177.221 177.584 0.406 0.000 1.139 587 A CA -0.729 51.359 52.037 0.085 0.000 0.830 587 A CB 0.632 19.362 19.000 -0.450 0.000 1.234 587 A HN 0.838 nan 8.150 nan 0.000 0.483 588 Y N -0.820 119.770 120.300 0.483 0.000 3.048 588 Y HA 0.767 5.332 4.550 0.026 0.000 0.305 588 Y C 0.673 176.914 175.900 0.569 0.000 1.538 588 Y CA -1.366 57.022 58.100 0.480 0.000 1.082 588 Y CB -0.095 38.485 38.460 0.200 0.000 1.388 588 Y HN 0.897 nan 8.280 nan 0.000 0.557 589 G N -0.160 109.027 108.800 0.644 0.000 2.265 589 G HA2 0.369 4.344 3.960 0.026 0.000 0.240 589 G HA3 0.369 4.344 3.960 0.026 0.000 0.240 589 G C 0.949 176.155 174.900 0.510 0.000 1.270 589 G CA 0.450 45.862 45.100 0.520 0.000 0.901 589 G HN 1.970 nan 8.290 nan 0.000 0.507 590 G N 2.224 111.288 108.800 0.440 0.000 2.268 590 G HA2 -0.282 3.693 3.960 0.026 0.000 0.240 590 G HA3 -0.282 3.693 3.960 0.026 0.000 0.240 590 G C 0.925 175.979 174.900 0.258 0.000 1.010 590 G CA 0.669 45.961 45.100 0.320 0.000 0.618 590 G HN 0.636 nan 8.290 nan 0.000 0.516 591 D N -0.146 120.394 120.400 0.232 0.000 2.371 591 D HA 0.131 4.787 4.640 0.026 0.000 0.221 591 D C 1.358 177.437 176.300 -0.368 0.000 0.986 591 D CA 0.505 54.474 54.000 -0.052 0.000 0.899 591 D CB -0.191 40.534 40.800 -0.125 0.000 0.902 591 D HN 0.490 nan 8.370 nan 0.000 0.530 592 F N -0.753 119.317 119.950 0.199 0.000 2.639 592 F HA 0.299 4.841 4.527 0.026 0.000 0.302 592 F C 1.798 177.680 175.800 0.135 0.000 1.097 592 F CA -0.126 57.951 58.000 0.129 0.000 1.294 592 F CB 0.813 39.887 39.000 0.124 0.000 1.027 592 F HN -0.039 nan 8.300 nan 0.000 0.550 593 G N 0.352 109.288 108.800 0.226 0.000 2.176 593 G HA2 -0.269 3.706 3.960 0.026 0.000 0.253 593 G HA3 -0.269 3.706 3.960 0.026 0.000 0.253 593 G C -0.205 174.824 174.900 0.214 0.000 0.979 593 G CA 0.107 45.318 45.100 0.185 0.000 0.641 593 G HN 0.401 nan 8.290 nan 0.000 0.530 594 D N 0.496 121.073 120.400 0.295 0.000 2.390 594 D HA 0.512 5.167 4.640 0.026 0.000 0.249 594 D C 0.124 176.542 176.300 0.197 0.000 1.144 594 D CA 0.917 55.083 54.000 0.277 0.000 0.880 594 D CB 1.650 42.683 40.800 0.389 0.000 1.182 594 D HN 0.448 nan 8.370 nan 0.000 0.451 595 T N 1.013 115.652 114.554 0.142 0.000 3.087 595 T HA 0.404 4.770 4.350 0.026 0.000 0.351 595 T C -2.762 171.971 174.700 0.056 0.000 1.520 595 T CA -1.089 61.065 62.100 0.090 0.000 1.111 595 T CB 1.007 69.929 68.868 0.091 0.000 1.353 595 T HN 0.244 nan 8.240 nan 0.000 0.481 596 P HA 0.509 nan 4.420 nan 0.000 0.271 596 P C -0.913 176.379 177.300 -0.013 0.000 1.244 596 P CA -0.287 62.813 63.100 0.000 0.000 0.793 596 P CB 0.289 31.966 31.700 -0.038 0.000 0.984 597 N N -2.034 116.653 118.700 -0.022 0.000 2.825 597 N HA 0.273 5.028 4.740 0.026 0.000 0.253 597 N C -1.155 174.301 175.510 -0.088 0.000 1.426 597 N CA -0.740 52.272 53.050 -0.064 0.000 0.851 597 N CB 0.649 39.186 38.487 0.085 0.000 1.470 597 N HN 0.062 nan 8.380 nan 0.000 0.517 598 D N -0.341 119.951 120.400 -0.180 0.000 2.559 598 D HA 0.135 4.791 4.640 0.026 0.000 0.234 598 D C 0.506 177.002 176.300 0.325 0.000 1.226 598 D CA -0.118 53.862 54.000 -0.032 0.000 0.830 598 D CB 0.066 40.715 40.800 -0.252 0.000 1.028 598 D HN 0.718 nan 8.370 nan 0.000 0.492 599 R N 0.812 121.504 120.500 0.320 0.000 3.772 599 R HA -0.324 4.032 4.340 0.026 0.000 0.480 599 R C 1.119 177.468 176.300 0.081 0.000 0.241 599 R CA 1.531 57.818 56.100 0.311 0.000 1.508 599 R CB -1.660 28.739 30.300 0.166 0.000 0.956 599 R HN 0.169 nan 8.270 nan 0.000 0.583 600 Q N 1.612 121.153 119.800 -0.431 0.000 2.482 600 Q HA 0.007 4.363 4.340 0.026 0.000 0.209 600 Q C 1.611 177.328 176.000 -0.472 0.000 0.961 600 Q CA 1.272 56.622 55.803 -0.754 0.000 0.945 600 Q CB 0.031 28.068 28.738 -1.169 0.000 1.012 600 Q HN 0.615 nan 8.270 nan 0.000 0.515 601 F N 1.507 121.388 119.950 -0.115 0.000 2.494 601 F HA -0.123 4.419 4.527 0.026 0.000 0.298 601 F C 2.229 177.963 175.800 -0.110 0.000 1.106 601 F CA 1.051 59.049 58.000 -0.004 0.000 1.452 601 F CB -0.134 38.933 39.000 0.111 0.000 1.085 601 F HN 0.415 nan 8.300 nan 0.000 0.569 602 C N -1.275 117.749 119.300 -0.459 0.000 2.576 602 C HA 0.220 4.696 4.460 0.026 0.000 0.267 602 C C 0.965 175.757 174.990 -0.329 0.000 1.364 602 C CA -0.487 58.072 59.018 -0.764 0.000 1.723 602 C CB -1.705 25.015 27.740 -1.700 0.000 1.778 602 C HN 0.199 nan 8.230 nan 0.000 0.572 603 M N 2.492 121.956 119.600 -0.227 0.000 2.060 603 M HA 0.288 4.783 4.480 0.026 0.000 0.342 603 M C -0.441 175.774 176.300 -0.142 0.000 1.031 603 M CA 0.302 55.509 55.300 -0.155 0.000 0.981 603 M CB 0.191 32.723 32.600 -0.114 0.000 1.376 603 M HN 0.320 nan 8.290 nan 0.000 0.397 604 N N 0.881 119.515 118.700 -0.110 0.000 2.305 604 N HA 0.216 4.971 4.740 0.026 0.000 0.248 604 N C 0.283 175.679 175.510 -0.189 0.000 1.290 604 N CA -0.533 52.426 53.050 -0.151 0.000 0.873 604 N CB 1.270 39.775 38.487 0.030 0.000 1.261 604 N HN 0.660 nan 8.380 nan 0.000 0.504 605 G N -0.120 108.563 108.800 -0.196 0.000 2.502 605 G HA2 0.389 4.364 3.960 0.026 0.000 0.305 605 G HA3 0.389 4.364 3.960 0.026 0.000 0.305 605 G C 0.636 175.368 174.900 -0.279 0.000 1.190 605 G CA -0.572 44.350 45.100 -0.297 0.000 0.933 605 G HN 0.099 nan 8.290 nan 0.000 0.503 606 L N -0.291 120.691 121.223 -0.402 0.000 2.395 606 L HA 0.127 4.483 4.340 0.026 0.000 0.218 606 L C 0.828 177.282 176.870 -0.693 0.000 1.130 606 L CA 0.328 54.947 54.840 -0.369 0.000 0.826 606 L CB -0.306 41.562 42.059 -0.319 0.000 0.941 606 L HN 0.380 nan 8.230 nan 0.000 0.451 607 V N -5.309 114.010 119.914 -0.992 0.000 3.040 607 V HA 0.476 4.612 4.120 0.026 0.000 0.312 607 V C -0.260 175.240 176.094 -0.991 0.000 1.115 607 V CA -1.289 60.391 62.300 -1.033 0.000 0.998 607 V CB 1.623 32.911 31.823 -0.891 0.000 1.042 607 V HN -0.152 nan 8.190 nan 0.000 0.433 608 F N 1.449 120.961 119.950 -0.730 0.000 2.440 608 F HA 0.550 5.093 4.527 0.026 0.000 0.323 608 F C 1.932 177.563 175.800 -0.281 0.000 1.192 608 F CA 0.646 58.406 58.000 -0.401 0.000 1.252 608 F CB 0.974 39.839 39.000 -0.225 0.000 1.214 608 F HN 0.790 nan 8.300 nan 0.000 0.578 609 A N 0.817 123.678 122.820 0.067 0.000 2.032 609 A HA -0.229 4.107 4.320 0.026 0.000 0.221 609 A C 1.626 179.170 177.584 -0.066 0.000 1.165 609 A CA 1.898 53.947 52.037 0.020 0.000 0.645 609 A CB -0.959 18.100 19.000 0.098 0.000 0.807 609 A HN 0.798 nan 8.150 nan 0.000 0.453 610 D N -3.032 117.337 120.400 -0.051 0.000 2.328 610 D HA 0.135 4.791 4.640 0.026 0.000 0.226 610 D C 0.714 176.975 176.300 -0.064 0.000 1.066 610 D CA 0.046 53.992 54.000 -0.090 0.000 0.861 610 D CB -0.080 40.671 40.800 -0.081 0.000 0.912 610 D HN 0.224 nan 8.370 nan 0.000 0.521 611 R N -1.900 118.553 120.500 -0.078 0.000 3.728 611 R HA -0.119 4.236 4.340 0.026 0.000 0.478 611 R C -0.279 175.979 176.300 -0.070 0.000 0.932 611 R CA 1.127 57.172 56.100 -0.091 0.000 1.317 611 R CB -3.133 27.159 30.300 -0.012 0.000 1.987 611 R HN 0.256 nan 8.270 nan 0.000 0.509 612 T N 2.538 117.081 114.554 -0.019 0.000 2.930 612 T HA 0.342 4.708 4.350 0.026 0.000 0.306 612 T C -2.298 172.415 174.700 0.021 0.000 1.045 612 T CA -0.681 61.431 62.100 0.021 0.000 1.134 612 T CB 0.991 69.877 68.868 0.031 0.000 0.961 612 T HN -0.091 nan 8.240 nan 0.000 0.545 613 P HA 0.266 nan 4.420 nan 0.000 0.278 613 P C -0.300 176.969 177.300 -0.052 0.000 1.238 613 P CA -0.339 62.694 63.100 -0.113 0.000 0.794 613 P CB 0.478 32.155 31.700 -0.038 0.000 0.955 614 H N 2.278 121.213 119.070 -0.225 0.000 2.509 614 H HA 0.160 4.732 4.556 0.025 0.000 0.359 614 H C -1.245 173.997 175.328 -0.143 0.000 1.253 614 H CA -1.841 54.043 56.048 -0.273 0.000 1.373 614 H CB 0.302 29.842 29.762 -0.370 0.000 1.555 614 H HN 0.333 nan 8.280 nan 0.000 0.586 615 P HA -0.152 nan 4.420 nan 0.000 0.220 615 P C 0.941 178.243 177.300 0.003 0.000 1.148 615 P CA 1.419 64.515 63.100 -0.007 0.000 0.803 615 P CB 0.062 31.754 31.700 -0.014 0.000 0.782 616 A N -0.619 122.202 122.820 0.002 0.000 2.070 616 A HA -0.154 4.181 4.320 0.026 0.000 0.220 616 A C 2.036 179.583 177.584 -0.061 0.000 1.159 616 A CA 1.021 53.030 52.037 -0.047 0.000 0.656 616 A CB -1.533 17.418 19.000 -0.081 0.000 0.800 616 A HN 0.156 nan 8.150 nan 0.000 0.453 617 L N -0.524 120.687 121.223 -0.020 0.000 2.079 617 L HA -0.130 4.225 4.340 0.026 0.000 0.210 617 L C 2.509 179.426 176.870 0.078 0.000 1.081 617 L CA 2.702 57.563 54.840 0.035 0.000 0.752 617 L CB -0.966 41.113 42.059 0.034 0.000 0.896 617 L HN 0.373 nan 8.230 nan 0.000 0.433 618 T N -1.657 112.946 114.554 0.081 0.000 2.867 618 T HA -0.199 4.166 4.350 0.026 0.000 0.268 618 T C 1.804 176.613 174.700 0.182 0.000 1.057 618 T CA 1.432 63.630 62.100 0.164 0.000 1.136 618 T CB -0.127 68.814 68.868 0.122 0.000 0.874 618 T HN 0.475 nan 8.240 nan 0.000 0.466 619 E N 0.858 121.106 120.200 0.080 0.000 2.051 619 E HA 0.019 4.384 4.350 0.026 0.000 0.192 619 E C 2.201 178.805 176.600 0.007 0.000 0.991 619 E CA 1.472 57.920 56.400 0.080 0.000 0.799 619 E CB -0.651 29.057 29.700 0.013 0.000 0.748 619 E HN 0.538 nan 8.360 nan 0.000 0.449 620 A N 0.854 123.555 122.820 -0.198 0.000 1.902 620 A HA -0.223 4.112 4.320 0.026 0.000 0.217 620 A C 2.166 179.614 177.584 -0.227 0.000 1.181 620 A CA 1.915 53.774 52.037 -0.297 0.000 0.623 620 A CB -0.610 18.215 19.000 -0.292 0.000 0.818 620 A HN 0.258 nan 8.150 nan 0.000 0.443 621 K N -1.227 119.127 120.400 -0.078 0.000 2.032 621 K HA -0.279 4.056 4.320 0.026 0.000 0.209 621 K C 2.086 178.580 176.600 -0.177 0.000 1.048 621 K CA 1.962 58.214 56.287 -0.059 0.000 0.927 621 K CB -0.353 32.273 32.500 0.210 0.000 0.712 621 K HN 0.634 nan 8.250 nan 0.000 0.441 622 H N 0.476 119.382 119.070 -0.275 0.000 2.353 622 H HA -0.037 4.534 4.556 0.026 0.000 0.300 622 H C 1.921 176.975 175.328 -0.458 0.000 1.090 622 H CA 1.822 57.508 56.048 -0.603 0.000 1.327 622 H CB 0.076 29.545 29.762 -0.487 0.000 1.383 622 H HN 0.247 nan 8.280 nan 0.000 0.508 623 Q N 0.172 119.705 119.800 -0.446 0.000 2.224 623 Q HA -0.090 4.265 4.340 0.026 0.000 0.203 623 Q C 1.537 176.983 176.000 -0.923 0.000 0.970 623 Q CA 1.147 56.614 55.803 -0.562 0.000 0.865 623 Q CB 0.053 28.643 28.738 -0.247 0.000 0.922 623 Q HN 0.711 nan 8.270 nan 0.000 0.445 624 Q N 0.138 119.355 119.800 -0.971 0.000 2.280 624 Q HA 0.077 4.433 4.340 0.026 0.000 0.202 624 Q C -0.099 175.331 176.000 -0.949 0.000 0.903 624 Q CA -0.214 54.871 55.803 -1.196 0.000 0.948 624 Q CB 0.372 28.447 28.738 -1.106 0.000 1.058 624 Q HN 0.366 nan 8.270 nan 0.000 0.493 625 Q N -0.470 118.926 119.800 -0.673 0.000 2.428 625 Q HA -0.036 4.320 4.340 0.026 0.000 0.276 625 Q C -0.161 175.461 176.000 -0.630 0.000 1.059 625 Q CA 0.424 55.959 55.803 -0.447 0.000 0.923 625 Q CB 0.453 29.032 28.738 -0.264 0.000 1.283 625 Q HN 0.293 nan 8.270 nan 0.000 0.447 626 F N 0.195 119.902 119.950 -0.406 0.000 2.727 626 F HA 0.232 4.774 4.527 0.025 0.000 0.302 626 F C -0.188 175.031 175.800 -0.968 0.000 1.097 626 F CA -0.050 57.472 58.000 -0.797 0.000 1.330 626 F CB 0.500 38.690 39.000 -1.350 0.000 1.084 626 F HN 0.293 nan 8.300 nan 0.000 0.578 627 F N 0.412 120.262 119.950 -0.167 0.000 2.507 627 F HA 0.489 5.032 4.527 0.027 0.000 0.325 627 F C -0.062 175.363 175.800 -0.625 0.000 1.116 627 F CA -1.083 56.720 58.000 -0.329 0.000 0.930 627 F CB 1.318 40.158 39.000 -0.267 0.000 1.146 627 F HN -0.318 nan 8.300 nan 0.000 0.447 628 Q N 3.130 122.651 119.800 -0.464 0.000 2.306 628 Q HA 0.577 4.932 4.340 0.026 0.000 0.265 628 Q C -1.360 174.332 176.000 -0.514 0.000 1.022 628 Q CA -0.608 54.950 55.803 -0.407 0.000 0.853 628 Q CB 2.842 31.483 28.738 -0.160 0.000 1.327 628 Q HN 0.566 nan 8.270 nan 0.000 0.449 629 F N 0.387 120.466 119.950 0.215 0.000 2.565 629 F HA 0.585 5.128 4.527 0.026 0.000 0.313 629 F C 0.198 176.236 175.800 0.398 0.000 1.091 629 F CA -0.863 57.337 58.000 0.334 0.000 0.915 629 F CB 2.123 41.449 39.000 0.543 0.000 1.208 629 F HN 0.185 nan 8.300 nan 0.000 0.453 630 R N 1.697 122.490 120.500 0.487 0.000 2.795 630 R HA 0.763 5.118 4.340 0.026 0.000 0.275 630 R C -1.977 174.365 176.300 0.069 0.000 0.981 630 R CA -1.202 55.096 56.100 0.332 0.000 0.917 630 R CB 2.821 33.229 30.300 0.180 0.000 1.202 630 R HN 0.545 nan 8.270 nan 0.000 0.469 631 L N 0.495 121.639 121.223 -0.132 0.000 2.362 631 L HA 0.604 4.959 4.340 0.026 0.000 0.275 631 L C -1.087 175.642 176.870 -0.236 0.000 0.998 631 L CA 0.055 54.619 54.840 -0.461 0.000 0.820 631 L CB 2.228 43.597 42.059 -1.150 0.000 1.270 631 L HN 0.582 nan 8.230 nan 0.000 0.415 632 S N 3.822 119.402 115.700 -0.200 0.000 2.775 632 S HA 0.687 5.172 4.470 0.026 0.000 0.277 632 S C 0.273 174.789 174.600 -0.139 0.000 1.156 632 S CA 0.276 58.399 58.200 -0.128 0.000 1.081 632 S CB 0.230 63.385 63.200 -0.074 0.000 1.054 632 S HN 1.612 nan 8.310 nan 0.000 0.482 633 G N 5.008 113.726 108.800 -0.137 0.000 2.595 633 G HA2 -0.357 3.619 3.960 0.026 0.000 0.297 633 G HA3 -0.357 3.619 3.960 0.026 0.000 0.297 633 G C 0.304 175.102 174.900 -0.169 0.000 1.181 633 G CA 0.931 45.953 45.100 -0.129 0.000 0.963 633 G HN 1.025 nan 8.290 nan 0.000 0.541 634 Q N 0.145 119.847 119.800 -0.163 0.000 2.247 634 Q HA 0.474 4.829 4.340 0.026 0.000 0.211 634 Q C 0.704 176.576 176.000 -0.213 0.000 0.861 634 Q CA 0.913 56.596 55.803 -0.199 0.000 0.949 634 Q CB 0.086 28.726 28.738 -0.163 0.000 1.115 634 Q HN 0.482 nan 8.270 nan 0.000 0.507 635 T N 1.742 116.185 114.554 -0.185 0.000 2.743 635 T HA 0.569 4.934 4.350 0.026 0.000 0.292 635 T C -0.385 174.205 174.700 -0.184 0.000 0.972 635 T CA -0.421 61.585 62.100 -0.156 0.000 0.967 635 T CB 0.418 69.227 68.868 -0.098 0.000 0.926 635 T HN 0.176 nan 8.240 nan 0.000 0.459 636 I N 3.211 123.685 120.570 -0.161 0.000 2.336 636 I HA 0.338 4.524 4.170 0.026 0.000 0.292 636 I C 0.527 176.655 176.117 0.018 0.000 0.991 636 I CA -0.561 60.664 61.300 -0.125 0.000 1.227 636 I CB 1.244 39.186 38.000 -0.097 0.000 1.366 636 I HN 0.521 nan 8.210 nan 0.000 0.466 637 E N 6.627 126.875 120.200 0.079 0.000 2.145 637 E HA 0.463 4.828 4.350 0.026 0.000 0.270 637 E C -1.579 175.144 176.600 0.205 0.000 0.906 637 E CA -0.632 55.834 56.400 0.111 0.000 0.761 637 E CB 1.731 31.475 29.700 0.074 0.000 1.116 637 E HN 0.364 nan 8.360 nan 0.000 0.408 638 V N 4.005 124.028 119.914 0.182 0.000 2.427 638 V HA 0.350 4.485 4.120 0.026 0.000 0.286 638 V C -0.022 176.118 176.094 0.076 0.000 1.034 638 V CA -0.505 61.880 62.300 0.141 0.000 0.893 638 V CB 1.681 33.624 31.823 0.199 0.000 0.982 638 V HN 0.721 nan 8.190 nan 0.000 0.452 639 T N 3.123 117.680 114.554 0.005 0.000 2.841 639 T HA 0.352 4.717 4.350 0.026 0.000 0.283 639 T C -0.117 174.604 174.700 0.035 0.000 1.000 639 T CA -0.299 61.813 62.100 0.020 0.000 0.977 639 T CB 1.634 70.485 68.868 -0.028 0.000 0.979 639 T HN 0.695 nan 8.240 nan 0.000 0.446 640 S N 1.594 117.328 115.700 0.057 0.000 2.537 640 S HA 0.213 4.698 4.470 0.026 0.000 0.275 640 S C 0.790 175.270 174.600 -0.200 0.000 1.272 640 S CA -0.498 57.660 58.200 -0.070 0.000 1.050 640 S CB 0.577 63.809 63.200 0.053 0.000 0.961 640 S HN 0.722 nan 8.310 nan 0.000 0.496 641 E N 2.927 122.900 120.200 -0.379 0.000 2.463 641 E HA 0.092 4.457 4.350 0.026 0.000 0.193 641 E C -0.710 175.701 176.600 -0.315 0.000 1.041 641 E CA -0.100 56.108 56.400 -0.319 0.000 0.879 641 E CB 0.286 29.780 29.700 -0.343 0.000 0.997 641 E HN 0.697 nan 8.360 nan 0.000 0.478 642 Y N 0.272 120.441 120.300 -0.217 0.000 2.397 642 Y HA 0.008 4.573 4.550 0.025 0.000 0.335 642 Y C 1.444 177.172 175.900 -0.286 0.000 1.213 642 Y CA 0.009 57.983 58.100 -0.210 0.000 1.391 642 Y CB 0.787 39.113 38.460 -0.224 0.000 1.293 642 Y HN -0.044 nan 8.280 nan 0.000 0.557 643 L N 0.969 122.025 121.223 -0.278 0.000 2.470 643 L HA 0.073 4.428 4.340 0.026 0.000 0.219 643 L C 0.640 177.082 176.870 -0.712 0.000 1.071 643 L CA 0.540 54.967 54.840 -0.688 0.000 0.850 643 L CB 0.050 41.299 42.059 -1.350 0.000 1.040 643 L HN 0.649 nan 8.230 nan 0.000 0.475 644 F N -0.368 119.591 119.950 0.015 0.000 2.699 644 F HA 0.212 4.754 4.527 0.024 0.000 0.295 644 F C 1.272 177.054 175.800 -0.030 0.000 1.052 644 F CA -0.761 57.223 58.000 -0.027 0.000 1.239 644 F CB 0.298 39.265 39.000 -0.055 0.000 1.018 644 F HN -0.139 nan 8.300 nan 0.000 0.627 645 R N 0.284 120.827 120.500 0.072 0.000 2.643 645 R HA 0.422 4.777 4.340 0.026 0.000 0.272 645 R C -0.640 175.668 176.300 0.013 0.000 0.995 645 R CA -0.626 55.479 56.100 0.008 0.000 1.032 645 R CB 0.822 31.018 30.300 -0.173 0.000 1.126 645 R HN 0.103 nan 8.270 nan 0.000 0.505 646 H N 0.293 119.360 119.070 -0.005 0.000 2.508 646 H HA 0.057 4.629 4.556 0.026 0.000 0.358 646 H C 0.229 175.587 175.328 0.050 0.000 1.212 646 H CA 0.086 56.162 56.048 0.048 0.000 1.356 646 H CB 1.672 31.466 29.762 0.055 0.000 1.525 646 H HN 0.772 nan 8.280 nan 0.000 0.578 647 S N 0.921 116.783 115.700 0.270 0.000 4.085 647 S HA -0.065 4.421 4.470 0.026 0.000 0.189 647 S C 0.342 175.050 174.600 0.180 0.000 1.392 647 S CA -0.527 57.838 58.200 0.275 0.000 0.972 647 S CB -0.872 62.544 63.200 0.360 0.000 1.482 647 S HN 0.571 nan 8.310 nan 0.000 0.446 648 D N 0.611 121.088 120.400 0.128 0.000 2.319 648 D HA 0.041 4.696 4.640 0.026 0.000 0.230 648 D C 0.346 176.685 176.300 0.066 0.000 1.094 648 D CA -0.171 53.880 54.000 0.085 0.000 0.856 648 D CB -0.351 40.482 40.800 0.056 0.000 0.915 648 D HN 0.506 nan 8.370 nan 0.000 0.517 649 N N -0.002 118.749 118.700 0.085 0.000 2.636 649 N HA 0.166 4.922 4.740 0.026 0.000 0.287 649 N C -1.575 173.998 175.510 0.104 0.000 1.817 649 N CA -0.206 52.889 53.050 0.075 0.000 0.842 649 N CB 0.326 38.845 38.487 0.054 0.000 1.353 649 N HN -0.052 nan 8.380 nan 0.000 0.500 650 E N -0.238 120.020 120.200 0.096 0.000 2.352 650 E HA 0.552 4.918 4.350 0.026 0.000 0.280 650 E C -1.618 175.022 176.600 0.066 0.000 0.930 650 E CA -0.744 55.704 56.400 0.080 0.000 0.765 650 E CB 2.137 31.868 29.700 0.052 0.000 1.219 650 E HN 0.280 nan 8.360 nan 0.000 0.434 651 L N 0.096 121.365 121.223 0.076 0.000 2.424 651 L HA 0.742 5.097 4.340 0.026 0.000 0.258 651 L C -1.821 175.143 176.870 0.157 0.000 0.995 651 L CA -0.981 53.933 54.840 0.124 0.000 0.821 651 L CB 1.364 43.524 42.059 0.168 0.000 1.383 651 L HN 0.523 nan 8.230 nan 0.000 0.410 652 L N 2.560 123.903 121.223 0.200 0.000 2.275 652 L HA 0.600 4.955 4.340 0.026 0.000 0.288 652 L C -0.938 176.160 176.870 0.381 0.000 1.046 652 L CA 0.193 55.183 54.840 0.250 0.000 0.805 652 L CB 0.472 42.669 42.059 0.229 0.000 1.193 652 L HN 0.655 nan 8.230 nan 0.000 0.426 653 H N 4.993 124.133 119.070 0.117 0.000 2.467 653 H HA 0.499 5.070 4.556 0.026 0.000 0.326 653 H C -1.000 174.403 175.328 0.126 0.000 1.094 653 H CA -0.664 55.412 56.048 0.047 0.000 1.253 653 H CB 0.789 30.536 29.762 -0.024 0.000 1.439 653 H HN 0.607 nan 8.280 nan 0.000 0.479 654 W N 3.706 125.088 121.300 0.137 0.000 2.844 654 W HA 0.597 5.272 4.660 0.025 0.000 0.340 654 W C -1.480 175.087 176.519 0.080 0.000 1.093 654 W CA -1.463 55.944 57.345 0.104 0.000 1.212 654 W CB 1.267 30.772 29.460 0.075 0.000 1.422 654 W HN 0.600 nan 8.180 nan 0.000 0.515 655 M N 3.207 122.966 119.600 0.265 0.000 2.378 655 M HA 0.654 5.149 4.480 0.026 0.000 0.289 655 M C -2.610 173.875 176.300 0.308 0.000 1.136 655 M CA -0.599 54.758 55.300 0.095 0.000 0.917 655 M CB 2.007 34.599 32.600 -0.014 0.000 1.669 655 M HN 0.139 nan 8.290 nan 0.000 0.461 656 V N 3.600 123.691 119.914 0.295 0.000 2.495 656 V HA 1.016 5.151 4.120 0.026 0.000 0.298 656 V C -0.396 175.806 176.094 0.180 0.000 1.031 656 V CA -0.120 62.352 62.300 0.287 0.000 0.871 656 V CB 1.294 33.312 31.823 0.324 0.000 0.988 656 V HN 1.139 nan 8.190 nan 0.000 0.432 657 A N 4.505 127.440 122.820 0.191 0.000 2.475 657 A HA 0.881 5.216 4.320 0.026 0.000 0.301 657 A C -1.452 176.248 177.584 0.192 0.000 1.059 657 A CA -0.625 51.491 52.037 0.132 0.000 0.710 657 A CB 1.719 20.750 19.000 0.053 0.000 1.288 657 A HN 0.845 nan 8.150 nan 0.000 0.408 658 L N 1.609 122.915 121.223 0.138 0.000 2.265 658 L HA 0.488 4.843 4.340 0.026 0.000 0.289 658 L C -0.521 176.440 176.870 0.151 0.000 1.033 658 L CA 0.193 55.127 54.840 0.157 0.000 0.814 658 L CB 0.335 42.456 42.059 0.103 0.000 1.203 658 L HN 0.753 nan 8.230 nan 0.000 0.423 659 D N 4.820 125.372 120.400 0.254 0.000 2.720 659 D HA -0.227 4.429 4.640 0.026 0.000 0.229 659 D C 1.195 177.524 176.300 0.047 0.000 1.198 659 D CA 1.399 55.538 54.000 0.230 0.000 0.639 659 D CB -1.112 39.800 40.800 0.186 0.000 1.003 659 D HN 1.177 nan 8.370 nan 0.000 0.411 660 G N -0.620 108.160 108.800 -0.033 0.000 2.205 660 G HA2 -0.375 3.601 3.960 0.026 0.000 0.261 660 G HA3 -0.375 3.601 3.960 0.026 0.000 0.261 660 G C 0.248 175.054 174.900 -0.157 0.000 0.980 660 G CA 0.508 45.479 45.100 -0.216 0.000 0.632 660 G HN 0.498 nan 8.290 nan 0.000 0.533 661 K N 1.952 122.315 120.400 -0.061 0.000 2.284 661 K HA 0.403 4.739 4.320 0.026 0.000 0.287 661 K C -2.617 173.970 176.600 -0.022 0.000 1.081 661 K CA -1.706 54.555 56.287 -0.043 0.000 0.910 661 K CB 1.497 33.994 32.500 -0.005 0.000 1.088 661 K HN 0.080 nan 8.250 nan 0.000 0.478 662 P HA -0.040 nan 4.420 nan 0.000 0.264 662 P C 0.365 177.661 177.300 -0.006 0.000 1.229 662 P CA -0.039 63.041 63.100 -0.034 0.000 0.780 662 P CB 0.590 32.250 31.700 -0.067 0.000 0.808 663 L N 2.448 123.688 121.223 0.029 0.000 2.145 663 L HA 0.286 4.642 4.340 0.026 0.000 0.201 663 L C 0.868 177.769 176.870 0.051 0.000 1.075 663 L CA 1.346 56.217 54.840 0.052 0.000 0.773 663 L CB -0.230 41.885 42.059 0.095 0.000 0.936 663 L HN 0.413 nan 8.230 nan 0.000 0.451 664 A N -1.562 121.290 122.820 0.052 0.000 2.522 664 A HA 0.537 4.873 4.320 0.026 0.000 0.291 664 A C -0.912 176.559 177.584 -0.189 0.000 1.039 664 A CA 0.222 52.265 52.037 0.010 0.000 0.643 664 A CB 1.048 20.172 19.000 0.207 0.000 1.310 664 A HN 0.200 nan 8.150 nan 0.000 0.436 665 S N -1.141 114.219 115.700 -0.567 0.000 2.636 665 S HA 0.961 5.446 4.470 0.026 0.000 0.268 665 S C -0.243 173.338 174.600 -1.698 0.000 1.159 665 S CA 0.070 57.445 58.200 -1.374 0.000 0.815 665 S CB 0.945 63.723 63.200 -0.703 0.000 1.130 665 S HN 2.682 nan 8.310 nan 0.000 0.471 666 G N -0.249 107.265 108.800 -2.145 0.000 2.550 666 G HA2 0.647 4.622 3.960 0.026 0.000 0.293 666 G HA3 0.647 4.622 3.960 0.026 0.000 0.293 666 G C -2.407 172.106 174.900 -0.645 0.000 1.402 666 G CA -0.847 43.707 45.100 -0.911 0.000 0.784 666 G HN 0.844 nan 8.290 nan 0.000 0.482 667 E N -1.251 118.859 120.200 -0.149 0.000 2.293 667 E HA 0.682 5.047 4.350 0.026 0.000 0.270 667 E C -1.196 175.483 176.600 0.131 0.000 0.879 667 E CA -0.930 55.422 56.400 -0.079 0.000 0.756 667 E CB 3.204 32.691 29.700 -0.355 0.000 1.208 667 E HN 0.392 nan 8.360 nan 0.000 0.428 668 V N 2.313 122.336 119.914 0.182 0.000 2.733 668 V HA 0.429 4.564 4.120 0.026 0.000 0.306 668 V C -2.453 173.721 176.094 0.134 0.000 1.084 668 V CA -2.071 60.324 62.300 0.158 0.000 0.905 668 V CB 2.144 34.080 31.823 0.188 0.000 1.010 668 V HN 0.617 nan 8.190 nan 0.000 0.424 669 P HA 0.203 nan 4.420 nan 0.000 0.268 669 P C -0.750 176.605 177.300 0.092 0.000 1.204 669 P CA 0.068 63.224 63.100 0.092 0.000 0.768 669 P CB 0.681 32.426 31.700 0.074 0.000 0.842 670 L N 3.318 124.591 121.223 0.083 0.000 2.275 670 L HA 0.319 4.675 4.340 0.026 0.000 0.288 670 L C 0.308 177.238 176.870 0.100 0.000 1.046 670 L CA -0.026 54.857 54.840 0.073 0.000 0.805 670 L CB 1.060 43.121 42.059 0.003 0.000 1.193 670 L HN 0.293 nan 8.230 nan 0.000 0.426 671 D N 3.265 123.738 120.400 0.120 0.000 2.400 671 D HA 0.327 4.983 4.640 0.026 0.000 0.272 671 D C -1.160 175.256 176.300 0.192 0.000 1.220 671 D CA -0.107 53.988 54.000 0.159 0.000 0.897 671 D CB 1.048 41.924 40.800 0.126 0.000 1.134 671 D HN 0.037 nan 8.370 nan 0.000 0.507 672 V N 1.210 121.253 119.914 0.215 0.000 2.495 672 V HA 0.859 4.995 4.120 0.026 0.000 0.298 672 V C 0.829 176.924 176.094 0.001 0.000 1.031 672 V CA -1.257 61.139 62.300 0.159 0.000 0.871 672 V CB 1.258 33.215 31.823 0.224 0.000 0.988 672 V HN 0.480 nan 8.190 nan 0.000 0.432 673 A N 6.457 129.158 122.820 -0.199 0.000 2.296 673 A HA 0.735 5.070 4.320 0.026 0.000 0.264 673 A C -2.294 175.089 177.584 -0.335 0.000 1.097 673 A CA -1.564 50.004 52.037 -0.782 0.000 0.811 673 A CB -0.124 18.536 19.000 -0.567 0.000 1.072 673 A HN 0.700 nan 8.150 nan 0.000 0.495 674 P HA 0.043 nan 4.420 nan 0.000 0.263 674 P C -0.631 176.599 177.300 -0.117 0.000 1.195 674 P CA 0.603 63.623 63.100 -0.133 0.000 0.762 674 P CB 0.752 32.382 31.700 -0.116 0.000 0.799 675 Q N -0.853 118.890 119.800 -0.094 0.000 2.324 675 Q HA -0.152 4.203 4.340 0.026 0.000 0.200 675 Q C 0.737 176.704 176.000 -0.054 0.000 0.645 675 Q CA 1.781 57.533 55.803 -0.084 0.000 1.377 675 Q CB -2.594 26.091 28.738 -0.089 0.000 1.486 675 Q HN 0.746 nan 8.270 nan 0.000 0.796 676 G N 0.216 108.989 108.800 -0.045 0.000 2.537 676 G HA2 0.562 4.538 3.960 0.026 0.000 0.297 676 G HA3 0.562 4.538 3.960 0.026 0.000 0.297 676 G C -0.290 174.621 174.900 0.019 0.000 1.310 676 G CA -0.546 44.544 45.100 -0.016 0.000 1.027 676 G HN -0.017 nan 8.290 nan 0.000 0.505 677 K N -0.722 119.698 120.400 0.032 0.000 2.340 677 K HA 0.466 4.802 4.320 0.026 0.000 0.244 677 K C -0.939 175.700 176.600 0.066 0.000 0.973 677 K CA -0.565 55.752 56.287 0.050 0.000 0.828 677 K CB 2.440 34.962 32.500 0.036 0.000 1.226 677 K HN 0.516 nan 8.250 nan 0.000 0.437 678 Q N 2.504 122.353 119.800 0.081 0.000 2.331 678 Q HA 0.413 4.769 4.340 0.026 0.000 0.272 678 Q C -1.652 174.392 176.000 0.072 0.000 1.062 678 Q CA -0.658 55.194 55.803 0.081 0.000 0.806 678 Q CB 1.469 30.266 28.738 0.099 0.000 1.312 678 Q HN 0.502 nan 8.270 nan 0.000 0.431 679 L N 4.889 126.142 121.223 0.051 0.000 2.307 679 L HA 0.585 4.941 4.340 0.026 0.000 0.284 679 L C -0.633 176.250 176.870 0.021 0.000 1.023 679 L CA -0.734 54.124 54.840 0.030 0.000 0.810 679 L CB 1.426 43.492 42.059 0.012 0.000 1.231 679 L HN 0.606 nan 8.230 nan 0.000 0.423 680 I N 2.830 123.402 120.570 0.003 0.000 2.466 680 I HA 0.270 4.455 4.170 0.026 0.000 0.289 680 I C -0.160 175.909 176.117 -0.080 0.000 1.026 680 I CA -0.352 60.938 61.300 -0.018 0.000 1.078 680 I CB 2.253 40.255 38.000 0.003 0.000 1.249 680 I HN 0.585 nan 8.210 nan 0.000 0.429 681 E N 6.956 127.106 120.200 -0.084 0.000 2.216 681 E HA 0.456 4.822 4.350 0.026 0.000 0.279 681 E C -1.213 175.262 176.600 -0.208 0.000 0.997 681 E CA -0.624 55.698 56.400 -0.131 0.000 0.817 681 E CB 1.411 31.055 29.700 -0.093 0.000 1.096 681 E HN 0.521 nan 8.360 nan 0.000 0.393 682 L N 5.174 126.219 121.223 -0.297 0.000 2.399 682 L HA 0.356 4.712 4.340 0.026 0.000 0.266 682 L C -1.946 174.746 176.870 -0.298 0.000 1.114 682 L CA -1.987 52.577 54.840 -0.460 0.000 0.804 682 L CB 0.854 42.536 42.059 -0.628 0.000 1.146 682 L HN 0.445 nan 8.230 nan 0.000 0.451 683 P HA 0.010 nan 4.420 nan 0.000 0.272 683 P C -0.822 176.416 177.300 -0.103 0.000 1.230 683 P CA -0.489 62.539 63.100 -0.119 0.000 0.788 683 P CB 0.355 32.049 31.700 -0.010 0.000 0.949 684 E N 2.080 122.252 120.200 -0.047 0.000 2.558 684 E HA -0.029 4.336 4.350 0.026 0.000 0.255 684 E C -1.111 175.481 176.600 -0.014 0.000 0.968 684 E CA 0.086 56.465 56.400 -0.034 0.000 0.939 684 E CB -0.207 29.485 29.700 -0.013 0.000 0.921 684 E HN 0.254 nan 8.360 nan 0.000 0.477 685 L N 7.335 128.544 121.223 -0.023 0.000 2.276 685 L HA 0.396 4.751 4.340 0.026 0.000 0.286 685 L C -1.819 175.060 176.870 0.015 0.000 1.024 685 L CA -2.027 52.820 54.840 0.011 0.000 0.826 685 L CB 0.936 43.013 42.059 0.030 0.000 1.211 685 L HN 0.526 nan 8.230 nan 0.000 0.422 686 P HA 0.024 nan 4.420 nan 0.000 0.268 686 P C -0.533 176.782 177.300 0.025 0.000 1.208 686 P CA -0.435 62.680 63.100 0.024 0.000 0.777 686 P CB 0.684 32.404 31.700 0.033 0.000 0.875 687 Q N 1.911 121.722 119.800 0.019 0.000 2.432 687 Q HA 0.177 4.533 4.340 0.026 0.000 0.264 687 Q C -1.811 174.205 176.000 0.027 0.000 1.035 687 Q CA -0.455 55.359 55.803 0.020 0.000 0.908 687 Q CB -0.667 28.080 28.738 0.015 0.000 1.280 687 Q HN 0.384 nan 8.270 nan 0.000 0.455 688 P HA 0.063 nan 4.420 nan 0.000 0.278 688 P C -0.170 177.149 177.300 0.030 0.000 1.238 688 P CA -0.201 62.920 63.100 0.036 0.000 0.794 688 P CB 0.943 32.667 31.700 0.041 0.000 0.955 689 E N 0.613 120.832 120.200 0.031 0.000 2.026 689 E HA -0.135 4.231 4.350 0.026 0.000 0.206 689 E C 0.941 177.557 176.600 0.027 0.000 1.028 689 E CA 1.840 58.255 56.400 0.026 0.000 0.845 689 E CB -0.114 29.600 29.700 0.024 0.000 0.772 689 E HN 0.677 nan 8.360 nan 0.000 0.462 690 S N -0.613 115.107 115.700 0.032 0.000 2.855 690 S HA 0.667 5.153 4.470 0.026 0.000 0.308 690 S C -0.159 174.464 174.600 0.039 0.000 1.077 690 S CA -0.510 57.710 58.200 0.034 0.000 0.896 690 S CB 1.394 64.615 63.200 0.035 0.000 1.339 690 S HN 0.238 nan 8.310 nan 0.000 0.602 691 A N -0.479 122.365 122.820 0.041 0.000 2.366 691 A HA 0.746 5.081 4.320 0.026 0.000 0.249 691 A C 0.885 178.505 177.584 0.059 0.000 1.084 691 A CA 0.293 52.357 52.037 0.044 0.000 0.794 691 A CB -0.801 18.226 19.000 0.044 0.000 1.034 691 A HN 2.348 nan 8.150 nan 0.000 0.491 692 G N -0.811 108.025 108.800 0.060 0.000 2.359 692 G HA2 0.423 4.398 3.960 0.026 0.000 0.303 692 G HA3 0.423 4.398 3.960 0.026 0.000 0.303 692 G C -1.129 173.812 174.900 0.069 0.000 1.293 692 G CA -0.175 44.975 45.100 0.084 0.000 0.964 692 G HN 1.135 nan 8.290 nan 0.000 0.531 693 Q N -0.160 119.702 119.800 0.104 0.000 2.314 693 Q HA 0.725 5.080 4.340 0.026 0.000 0.259 693 Q C -0.254 175.823 176.000 0.129 0.000 0.951 693 Q CA -0.507 55.321 55.803 0.042 0.000 0.909 693 Q CB 1.182 29.927 28.738 0.010 0.000 1.236 693 Q HN 0.572 nan 8.270 nan 0.000 0.444 694 L N 4.259 125.499 121.223 0.029 0.000 2.326 694 L HA 0.466 4.822 4.340 0.026 0.000 0.278 694 L C -0.782 176.135 176.870 0.078 0.000 1.092 694 L CA -0.363 54.543 54.840 0.110 0.000 0.810 694 L CB 0.719 42.816 42.059 0.063 0.000 1.153 694 L HN 0.678 nan 8.230 nan 0.000 0.439 695 W N 4.110 125.477 121.300 0.111 0.000 2.785 695 W HA 0.499 5.174 4.660 0.025 0.000 0.333 695 W C -0.867 175.761 176.519 0.181 0.000 1.062 695 W CA -0.543 56.890 57.345 0.146 0.000 1.233 695 W CB 1.708 31.272 29.460 0.175 0.000 1.413 695 W HN 0.100 nan 8.180 nan 0.000 0.489 696 L N 3.231 124.747 121.223 0.488 0.000 2.307 696 L HA 0.775 5.131 4.340 0.026 0.000 0.284 696 L C -0.387 176.791 176.870 0.513 0.000 1.023 696 L CA 0.051 55.160 54.840 0.450 0.000 0.810 696 L CB 1.351 43.642 42.059 0.387 0.000 1.231 696 L HN 0.329 nan 8.230 nan 0.000 0.423 697 T N 5.124 119.921 114.554 0.406 0.000 2.848 697 T HA 0.661 5.027 4.350 0.026 0.000 0.285 697 T C -0.756 174.130 174.700 0.310 0.000 0.995 697 T CA -0.429 61.864 62.100 0.321 0.000 0.970 697 T CB 1.518 70.508 68.868 0.204 0.000 0.976 697 T HN 0.624 nan 8.240 nan 0.000 0.441 698 V N 1.544 121.616 119.914 0.264 0.000 2.769 698 V HA 0.846 4.981 4.120 0.026 0.000 0.312 698 V C -0.895 175.278 176.094 0.132 0.000 1.061 698 V CA -1.138 61.284 62.300 0.203 0.000 0.931 698 V CB 2.010 33.912 31.823 0.133 0.000 1.010 698 V HN 0.832 nan 8.190 nan 0.000 0.433 699 R N 2.313 122.905 120.500 0.154 0.000 2.621 699 R HA 0.697 5.053 4.340 0.026 0.000 0.284 699 R C -1.702 174.683 176.300 0.141 0.000 0.998 699 R CA -0.810 55.394 56.100 0.173 0.000 0.895 699 R CB 2.577 32.938 30.300 0.102 0.000 1.195 699 R HN 0.639 nan 8.270 nan 0.000 0.450 700 V N 3.367 123.402 119.914 0.202 0.000 2.406 700 V HA 0.265 4.401 4.120 0.026 0.000 0.272 700 V C -0.017 176.119 176.094 0.071 0.000 1.043 700 V CA -0.471 61.910 62.300 0.134 0.000 0.915 700 V CB 1.554 33.473 31.823 0.159 0.000 0.988 700 V HN 0.433 nan 8.190 nan 0.000 0.466 701 V N 5.571 125.471 119.914 -0.023 0.000 2.628 701 V HA 0.405 4.540 4.120 0.026 0.000 0.306 701 V C -0.232 175.876 176.094 0.022 0.000 1.045 701 V CA -0.768 61.486 62.300 -0.075 0.000 0.905 701 V CB 2.084 33.709 31.823 -0.330 0.000 0.997 701 V HN 0.897 nan 8.190 nan 0.000 0.436 702 Q N 5.762 125.602 119.800 0.067 0.000 2.390 702 Q HA 0.285 4.641 4.340 0.026 0.000 0.249 702 Q C -1.877 174.147 176.000 0.040 0.000 0.996 702 Q CA -1.794 54.060 55.803 0.084 0.000 0.899 702 Q CB 1.749 30.561 28.738 0.124 0.000 1.216 702 Q HN 0.460 nan 8.270 nan 0.000 0.465 703 P HA -0.133 nan 4.420 nan 0.000 0.222 703 P C -0.487 176.819 177.300 0.010 0.000 1.153 703 P CA 0.961 64.080 63.100 0.032 0.000 0.798 703 P CB 0.413 32.143 31.700 0.049 0.000 0.796 704 N N -0.581 118.117 118.700 -0.004 0.000 2.417 704 N HA 0.465 5.221 4.740 0.026 0.000 0.300 704 N C -0.390 175.075 175.510 -0.074 0.000 1.102 704 N CA -0.700 52.332 53.050 -0.029 0.000 0.886 704 N CB 1.150 39.623 38.487 -0.024 0.000 1.203 704 N HN -0.084 nan 8.380 nan 0.000 0.496 705 A N 0.650 123.419 122.820 -0.085 0.000 2.406 705 A HA 0.447 4.782 4.320 0.026 0.000 0.243 705 A C 0.567 178.037 177.584 -0.190 0.000 1.082 705 A CA 0.023 51.975 52.037 -0.142 0.000 0.786 705 A CB -0.021 18.920 19.000 -0.099 0.000 1.029 705 A HN 0.694 nan 8.150 nan 0.000 0.495 706 T N -2.900 111.457 114.554 -0.328 0.000 2.858 706 T HA 0.621 4.986 4.350 0.026 0.000 0.285 706 T C 0.937 175.479 174.700 -0.264 0.000 1.052 706 T CA 0.049 61.937 62.100 -0.354 0.000 1.009 706 T CB 1.169 69.600 68.868 -0.728 0.000 1.241 706 T HN 1.393 nan 8.240 nan 0.000 0.542 707 A N -0.055 122.706 122.820 -0.098 0.000 2.121 707 A HA 0.111 4.447 4.320 0.026 0.000 0.218 707 A C 1.628 179.348 177.584 0.228 0.000 1.154 707 A CA 1.106 53.196 52.037 0.090 0.000 0.679 707 A CB -0.900 18.193 19.000 0.155 0.000 0.795 707 A HN 0.918 nan 8.150 nan 0.000 0.458 708 W N -0.892 120.469 121.300 0.102 0.000 2.714 708 W HA 0.402 5.078 4.660 0.027 0.000 0.353 708 W C -0.169 176.315 176.519 -0.059 0.000 0.999 708 W CA 0.507 57.877 57.345 0.042 0.000 1.629 708 W CB -0.916 28.561 29.460 0.028 0.000 1.106 708 W HN 0.397 nan 8.180 nan 0.000 0.545 709 S N 0.368 115.588 115.700 -0.799 0.000 2.588 709 S HA 0.448 4.934 4.470 0.026 0.000 0.275 709 S C -0.600 173.770 174.600 -0.384 0.000 1.130 709 S CA -0.680 57.098 58.200 -0.703 0.000 0.855 709 S CB 2.830 65.193 63.200 -1.395 0.000 1.116 709 S HN 0.007 nan 8.310 nan 0.000 0.472 710 E N 0.779 120.867 120.200 -0.187 0.000 2.345 710 E HA 0.540 4.905 4.350 0.026 0.000 0.259 710 E C 0.380 176.940 176.600 -0.067 0.000 1.117 710 E CA -0.483 55.863 56.400 -0.089 0.000 0.913 710 E CB 1.232 30.924 29.700 -0.014 0.000 1.057 710 E HN 0.897 nan 8.360 nan 0.000 0.432 711 A N 0.050 122.843 122.820 -0.044 0.000 2.498 711 A HA 0.406 4.741 4.320 0.026 0.000 0.239 711 A C 1.151 178.739 177.584 0.007 0.000 1.068 711 A CA 0.828 52.851 52.037 -0.022 0.000 0.766 711 A CB -0.311 18.680 19.000 -0.015 0.000 1.003 711 A HN 0.747 nan 8.150 nan 0.000 0.497 712 G N 0.523 109.334 108.800 0.017 0.000 2.175 712 G HA2 -0.239 3.736 3.960 0.026 0.000 0.244 712 G HA3 -0.239 3.736 3.960 0.026 0.000 0.244 712 G C 0.258 175.173 174.900 0.024 0.000 0.982 712 G CA 0.615 45.721 45.100 0.011 0.000 0.641 712 G HN 1.696 nan 8.290 nan 0.000 0.527 713 H N 0.681 119.736 119.070 -0.025 0.000 3.064 713 H HA 0.405 4.976 4.556 0.025 0.000 0.329 713 H C 0.727 176.097 175.328 0.069 0.000 1.020 713 H CA 0.543 56.603 56.048 0.020 0.000 1.402 713 H CB 0.162 29.917 29.762 -0.012 0.000 1.379 713 H HN 0.310 nan 8.280 nan 0.000 0.594 714 I N 4.543 124.834 120.570 -0.465 0.000 2.315 714 I HA 0.042 4.228 4.170 0.026 0.000 0.291 714 I C 0.787 176.766 176.117 -0.230 0.000 1.006 714 I CA 0.039 61.207 61.300 -0.220 0.000 1.265 714 I CB 1.464 39.394 38.000 -0.117 0.000 1.387 714 I HN 0.773 nan 8.210 nan 0.000 0.475 715 S N 4.098 119.879 115.700 0.136 0.000 2.523 715 S HA 0.585 5.071 4.470 0.026 0.000 0.217 715 S C 0.367 175.224 174.600 0.428 0.000 0.996 715 S CA -0.167 58.255 58.200 0.370 0.000 0.921 715 S CB 0.626 64.165 63.200 0.565 0.000 0.829 715 S HN 0.690 nan 8.310 nan 0.000 0.495 716 A N 0.732 123.829 122.820 0.462 0.000 2.594 716 A HA 0.641 4.976 4.320 0.026 0.000 0.296 716 A C -1.745 176.171 177.584 0.554 0.000 1.061 716 A CA -0.933 51.349 52.037 0.410 0.000 0.689 716 A CB 0.437 19.752 19.000 0.526 0.000 1.280 716 A HN 0.866 nan 8.150 nan 0.000 0.406 717 W N 0.429 121.910 121.300 0.301 0.000 3.137 717 W HA 0.841 5.517 4.660 0.027 0.000 0.324 717 W C -1.147 175.432 176.519 0.100 0.000 1.253 717 W CA -0.698 56.714 57.345 0.111 0.000 1.183 717 W CB 1.348 30.828 29.460 0.034 0.000 1.424 717 W HN 0.918 nan 8.180 nan 0.000 0.566 718 Q N 1.162 120.998 119.800 0.060 0.000 2.527 718 Q HA 0.429 4.784 4.340 0.026 0.000 0.280 718 Q C -1.541 174.282 176.000 -0.296 0.000 0.977 718 Q CA -0.489 55.181 55.803 -0.223 0.000 0.837 718 Q CB 2.476 30.859 28.738 -0.590 0.000 1.454 718 Q HN 0.651 nan 8.270 nan 0.000 0.387 719 Q N 1.242 120.784 119.800 -0.431 0.000 2.423 719 Q HA 0.654 5.009 4.340 0.026 0.000 0.278 719 Q C -1.143 174.673 176.000 -0.307 0.000 1.097 719 Q CA -0.703 55.037 55.803 -0.104 0.000 0.809 719 Q CB 2.508 31.399 28.738 0.257 0.000 1.391 719 Q HN 0.588 nan 8.270 nan 0.000 0.428 720 W N 0.734 122.191 121.300 0.261 0.000 3.167 720 W HA 0.437 5.112 4.660 0.025 0.000 0.324 720 W C -0.446 176.001 176.519 -0.119 0.000 1.230 720 W CA -0.648 56.748 57.345 0.085 0.000 1.184 720 W CB 1.743 31.224 29.460 0.035 0.000 1.414 720 W HN 0.420 nan 8.180 nan 0.000 0.551 721 R N 1.622 121.993 120.500 -0.216 0.000 2.390 721 R HA 0.486 4.842 4.340 0.026 0.000 0.291 721 R C 0.469 176.634 176.300 -0.224 0.000 1.070 721 R CA -0.196 55.529 56.100 -0.625 0.000 1.014 721 R CB 1.225 31.105 30.300 -0.700 0.000 1.007 721 R HN 0.299 nan 8.270 nan 0.000 0.466 722 L N 1.217 122.325 121.223 -0.192 0.000 2.719 722 L HA 0.520 4.875 4.340 0.026 0.000 0.182 722 L C 0.603 177.405 176.870 -0.113 0.000 1.940 722 L CA -0.917 53.866 54.840 -0.096 0.000 2.839 722 L CB -0.161 41.879 42.059 -0.032 0.000 2.949 722 L HN 0.586 nan 8.230 nan 0.000 0.669 723 A N 0.285 123.063 122.820 -0.069 0.000 2.425 723 A HA 0.249 4.585 4.320 0.026 0.000 0.242 723 A C -0.362 177.183 177.584 -0.065 0.000 1.077 723 A CA 0.158 52.159 52.037 -0.060 0.000 0.781 723 A CB 0.261 19.242 19.000 -0.032 0.000 1.020 723 A HN 0.590 nan 8.150 nan 0.000 0.494 724 E N 0.934 121.100 120.200 -0.057 0.000 2.248 724 E HA 0.325 4.690 4.350 0.026 0.000 0.267 724 E C -1.414 175.178 176.600 -0.015 0.000 0.877 724 E CA -0.675 55.699 56.400 -0.043 0.000 0.759 724 E CB 0.930 30.594 29.700 -0.060 0.000 1.182 724 E HN 0.684 nan 8.360 nan 0.000 0.418 725 N N 5.079 123.782 118.700 0.005 0.000 2.569 725 N HA 0.257 5.012 4.740 0.026 0.000 0.254 725 N C -0.638 174.884 175.510 0.020 0.000 1.004 725 N CA -0.336 52.721 53.050 0.011 0.000 0.904 725 N CB 1.137 39.634 38.487 0.016 0.000 1.165 725 N HN 0.468 nan 8.380 nan 0.000 0.513 726 L N 0.740 121.973 121.223 0.017 0.000 2.461 726 L HA 0.079 4.434 4.340 0.026 0.000 0.272 726 L C 1.375 178.263 176.870 0.031 0.000 1.197 726 L CA 0.173 55.029 54.840 0.027 0.000 0.836 726 L CB 0.394 42.467 42.059 0.024 0.000 1.105 726 L HN 0.346 nan 8.230 nan 0.000 0.477 727 S N 1.430 117.154 115.700 0.039 0.000 2.488 727 S HA 0.212 4.697 4.470 0.026 0.000 0.278 727 S C 0.555 175.175 174.600 0.034 0.000 1.259 727 S CA -0.745 57.479 58.200 0.039 0.000 1.061 727 S CB 0.581 63.809 63.200 0.047 0.000 0.910 727 S HN 0.473 nan 8.310 nan 0.000 0.491 728 V N 2.441 122.371 119.914 0.028 0.000 3.276 728 V HA 0.371 4.507 4.120 0.026 0.000 0.319 728 V C 0.529 176.636 176.094 0.022 0.000 1.427 728 V CA 0.074 62.388 62.300 0.023 0.000 1.102 728 V CB -0.430 31.404 31.823 0.019 0.000 1.020 728 V HN 0.847 nan 8.190 nan 0.000 0.456 729 T N 1.253 115.822 114.554 0.024 0.000 2.738 729 T HA 0.716 5.081 4.350 0.026 0.000 0.298 729 T C -0.043 174.670 174.700 0.022 0.000 0.962 729 T CA -0.567 61.546 62.100 0.021 0.000 0.972 729 T CB 0.897 69.775 68.868 0.018 0.000 0.928 729 T HN 0.436 nan 8.240 nan 0.000 0.474 730 L N 2.875 124.108 121.223 0.017 0.000 2.479 730 L HA 0.483 4.838 4.340 0.026 0.000 0.270 730 L C -2.226 174.652 176.870 0.013 0.000 1.236 730 L CA -1.652 53.197 54.840 0.016 0.000 0.823 730 L CB -1.076 40.989 42.059 0.010 0.000 1.098 730 L HN 0.350 nan 8.230 nan 0.000 0.500 731 P HA 0.341 nan 4.420 nan 0.000 0.294 731 P C -0.880 176.414 177.300 -0.010 0.000 1.294 731 P CA -0.475 62.630 63.100 0.008 0.000 0.827 731 P CB 1.515 33.226 31.700 0.018 0.000 0.992 732 A N 3.117 125.924 122.820 -0.021 0.000 2.561 732 A HA 0.352 4.687 4.320 0.026 0.000 0.251 732 A C 0.767 178.301 177.584 -0.083 0.000 1.062 732 A CA 0.033 52.037 52.037 -0.055 0.000 0.761 732 A CB -0.699 18.261 19.000 -0.068 0.000 0.986 732 A HN 0.641 nan 8.150 nan 0.000 0.510 733 A N 4.336 127.103 122.820 -0.088 0.000 2.540 733 A HA 0.377 4.713 4.320 0.026 0.000 0.264 733 A C 1.023 178.532 177.584 -0.125 0.000 1.080 733 A CA 0.443 52.428 52.037 -0.085 0.000 0.776 733 A CB -0.776 18.191 19.000 -0.054 0.000 1.011 733 A HN 1.500 nan 8.150 nan 0.000 0.514 734 S N 3.149 118.816 115.700 -0.055 0.000 3.545 734 S HA -0.097 4.388 4.470 0.026 0.000 0.421 734 S C 0.626 175.242 174.600 0.025 0.000 1.160 734 S CA 0.797 58.998 58.200 0.001 0.000 1.002 734 S CB -0.307 62.913 63.200 0.033 0.000 0.703 734 S HN 0.803 nan 8.310 nan 0.000 0.505 735 H N 0.660 119.745 119.070 0.024 0.000 2.568 735 H HA 0.384 4.955 4.556 0.026 0.000 0.281 735 H C 0.786 176.127 175.328 0.021 0.000 1.028 735 H CA 0.812 56.872 56.048 0.020 0.000 1.199 735 H CB -0.312 29.461 29.762 0.018 0.000 1.352 735 H HN 0.738 nan 8.280 nan 0.000 0.605 736 A N 0.380 123.274 122.820 0.123 0.000 2.581 736 A HA 0.611 4.946 4.320 0.026 0.000 0.290 736 A C -1.377 176.248 177.584 0.067 0.000 1.119 736 A CA -0.811 51.277 52.037 0.085 0.000 0.670 736 A CB 1.076 20.127 19.000 0.086 0.000 1.280 736 A HN 0.261 nan 8.150 nan 0.000 0.425 737 I N 0.049 120.656 120.570 0.062 0.000 2.499 737 I HA 0.690 4.875 4.170 0.026 0.000 0.288 737 I C -2.625 173.538 176.117 0.075 0.000 1.048 737 I CA -2.151 59.181 61.300 0.054 0.000 1.062 737 I CB 2.367 40.390 38.000 0.038 0.000 1.238 737 I HN 0.455 nan 8.210 nan 0.000 0.426 738 P HA 0.017 nan 4.420 nan 0.000 0.267 738 P C -1.196 176.172 177.300 0.114 0.000 1.200 738 P CA 0.360 63.517 63.100 0.096 0.000 0.772 738 P CB 0.496 32.212 31.700 0.026 0.000 0.855 739 H N 2.597 121.700 119.070 0.054 0.000 2.459 739 H HA 0.395 4.967 4.556 0.026 0.000 0.332 739 H C -1.032 174.327 175.328 0.053 0.000 1.094 739 H CA -0.970 55.101 56.048 0.039 0.000 1.224 739 H CB 1.531 31.316 29.762 0.039 0.000 1.449 739 H HN 0.280 nan 8.280 nan 0.000 0.484 740 L N 4.529 125.343 121.223 -0.682 0.000 2.307 740 L HA 0.335 4.690 4.340 0.026 0.000 0.282 740 L C -0.731 175.843 176.870 -0.493 0.000 1.051 740 L CA -0.052 54.541 54.840 -0.412 0.000 0.804 740 L CB 1.628 43.522 42.059 -0.275 0.000 1.197 740 L HN 0.561 nan 8.230 nan 0.000 0.431 741 T N 3.151 117.627 114.554 -0.129 0.000 2.792 741 T HA 0.483 4.848 4.350 0.026 0.000 0.280 741 T C -0.485 174.280 174.700 0.108 0.000 0.990 741 T CA -0.395 61.712 62.100 0.012 0.000 0.960 741 T CB 1.119 70.045 68.868 0.097 0.000 0.939 741 T HN 0.676 nan 8.240 nan 0.000 0.439 742 T N 3.038 117.665 114.554 0.121 0.000 2.771 742 T HA 0.623 4.989 4.350 0.026 0.000 0.281 742 T C 0.096 174.851 174.700 0.092 0.000 0.982 742 T CA -0.753 61.467 62.100 0.200 0.000 0.978 742 T CB 0.988 70.013 68.868 0.262 0.000 0.930 742 T HN 0.664 nan 8.240 nan 0.000 0.447 743 S N 2.218 117.939 115.700 0.036 0.000 2.599 743 S HA 0.447 4.933 4.470 0.026 0.000 0.294 743 S C 0.904 175.460 174.600 -0.074 0.000 1.094 743 S CA -0.896 57.299 58.200 -0.007 0.000 0.931 743 S CB 1.661 64.862 63.200 0.003 0.000 1.093 743 S HN 0.478 nan 8.310 nan 0.000 0.488 744 E N 1.273 121.437 120.200 -0.060 0.000 2.085 744 E HA -0.136 4.229 4.350 0.026 0.000 0.194 744 E C 1.748 178.260 176.600 -0.147 0.000 0.994 744 E CA 1.442 57.786 56.400 -0.094 0.000 0.801 744 E CB -0.370 29.296 29.700 -0.057 0.000 0.743 744 E HN 0.639 nan 8.360 nan 0.000 0.453 745 M N 0.580 120.120 119.600 -0.100 0.000 2.175 745 M HA -0.033 4.463 4.480 0.026 0.000 0.264 745 M C 0.137 176.364 176.300 -0.122 0.000 1.063 745 M CA 1.195 56.443 55.300 -0.088 0.000 1.119 745 M CB -0.721 31.860 32.600 -0.032 0.000 1.377 745 M HN -0.094 nan 8.290 nan 0.000 0.415 746 D N -2.553 117.768 120.400 -0.131 0.000 2.626 746 D HA 0.484 5.140 4.640 0.026 0.000 0.278 746 D C -1.401 174.843 176.300 -0.092 0.000 1.211 746 D CA -0.423 53.514 54.000 -0.104 0.000 0.903 746 D CB 1.614 42.444 40.800 0.049 0.000 1.408 746 D HN -0.089 nan 8.370 nan 0.000 0.454 747 F N 0.673 120.698 119.950 0.125 0.000 2.427 747 F HA 0.476 5.018 4.527 0.025 0.000 0.348 747 F C -0.420 175.495 175.800 0.192 0.000 1.125 747 F CA -0.855 57.208 58.000 0.104 0.000 0.989 747 F CB 1.213 40.238 39.000 0.042 0.000 1.165 747 F HN 0.082 nan 8.300 nan 0.000 0.442 748 C N 4.708 124.194 119.300 0.309 0.000 2.382 748 C HA 0.711 5.186 4.460 0.026 0.000 0.327 748 C C -0.315 174.809 174.990 0.224 0.000 1.250 748 C CA -0.638 58.538 59.018 0.264 0.000 1.707 748 C CB 0.691 28.524 27.740 0.155 0.000 2.272 748 C HN 0.522 nan 8.230 nan 0.000 0.506 749 I N 3.060 123.820 120.570 0.316 0.000 2.436 749 I HA 0.450 4.635 4.170 0.026 0.000 0.289 749 I C -0.088 176.282 176.117 0.422 0.000 1.010 749 I CA -0.050 61.429 61.300 0.298 0.000 1.098 749 I CB 1.421 39.579 38.000 0.263 0.000 1.266 749 I HN 0.589 nan 8.210 nan 0.000 0.434 750 E N 5.058 125.447 120.200 0.316 0.000 2.210 750 E HA 0.730 5.095 4.350 0.026 0.000 0.266 750 E C -1.679 175.099 176.600 0.297 0.000 0.883 750 E CA -0.703 55.870 56.400 0.288 0.000 0.761 750 E CB 1.870 31.668 29.700 0.163 0.000 1.156 750 E HN 0.418 nan 8.360 nan 0.000 0.412 751 L N 4.643 126.053 121.223 0.312 0.000 2.568 751 L HA 0.500 4.856 4.340 0.026 0.000 0.262 751 L C 0.276 177.244 176.870 0.163 0.000 0.980 751 L CA 0.653 55.653 54.840 0.267 0.000 0.882 751 L CB 1.032 43.308 42.059 0.362 0.000 1.198 751 L HN 0.720 nan 8.230 nan 0.000 0.425 752 G N 4.410 113.267 108.800 0.094 0.000 2.660 752 G HA2 -0.450 3.526 3.960 0.026 0.000 0.321 752 G HA3 -0.450 3.526 3.960 0.026 0.000 0.321 752 G C 0.719 175.624 174.900 0.009 0.000 1.246 752 G CA 0.668 45.794 45.100 0.044 0.000 1.000 752 G HN 1.099 nan 8.290 nan 0.000 0.550 753 N N 1.592 120.285 118.700 -0.011 0.000 2.461 753 N HA 0.068 4.823 4.740 0.026 0.000 0.188 753 N C 0.564 176.017 175.510 -0.095 0.000 1.134 753 N CA 1.018 54.040 53.050 -0.047 0.000 0.878 753 N CB 0.172 38.633 38.487 -0.044 0.000 0.972 753 N HN 0.720 nan 8.380 nan 0.000 0.456 754 K N 0.216 120.546 120.400 -0.117 0.000 2.166 754 K HA 0.461 4.796 4.320 0.026 0.000 0.245 754 K C -0.563 175.811 176.600 -0.377 0.000 0.967 754 K CA -0.734 55.344 56.287 -0.348 0.000 0.863 754 K CB 2.227 34.407 32.500 -0.533 0.000 1.107 754 K HN -0.027 nan 8.250 nan 0.000 0.436 755 R N 1.637 121.796 120.500 -0.568 0.000 2.584 755 R HA 0.303 4.658 4.340 0.026 0.000 0.276 755 R C -1.765 174.365 176.300 -0.283 0.000 1.046 755 R CA -0.584 55.385 56.100 -0.218 0.000 0.906 755 R CB 1.250 31.507 30.300 -0.071 0.000 1.215 755 R HN 0.620 nan 8.270 nan 0.000 0.449 756 W N 3.802 125.192 121.300 0.150 0.000 2.600 756 W HA 0.316 4.991 4.660 0.025 0.000 0.325 756 W C -0.612 175.963 176.519 0.093 0.000 1.034 756 W CA -0.649 56.728 57.345 0.053 0.000 1.226 756 W CB 2.138 31.628 29.460 0.050 0.000 1.379 756 W HN 0.470 nan 8.180 nan 0.000 0.466 757 Q N 3.021 122.923 119.800 0.169 0.000 2.333 757 Q HA 0.388 4.743 4.340 0.026 0.000 0.268 757 Q C -1.722 174.202 176.000 -0.127 0.000 1.007 757 Q CA -0.501 55.400 55.803 0.162 0.000 0.810 757 Q CB 1.093 30.019 28.738 0.313 0.000 1.264 757 Q HN 0.335 nan 8.270 nan 0.000 0.452 758 F N 3.165 123.201 119.950 0.144 0.000 2.361 758 F HA 0.284 4.826 4.527 0.025 0.000 0.364 758 F C 0.656 176.492 175.800 0.061 0.000 1.117 758 F CA -0.849 57.204 58.000 0.087 0.000 1.071 758 F CB 0.969 40.018 39.000 0.081 0.000 1.188 758 F HN 0.478 nan 8.300 nan 0.000 0.464 759 N N 3.646 122.450 118.700 0.173 0.000 2.475 759 N HA 0.064 4.819 4.740 0.026 0.000 0.267 759 N C 0.985 176.524 175.510 0.049 0.000 1.169 759 N CA 0.089 53.198 53.050 0.098 0.000 0.947 759 N CB 0.747 39.298 38.487 0.107 0.000 1.061 759 N HN 0.686 nan 8.380 nan 0.000 0.466 760 R N 2.089 122.549 120.500 -0.066 0.000 2.193 760 R HA -0.083 4.273 4.340 0.026 0.000 0.213 760 R C 1.235 177.480 176.300 -0.091 0.000 1.055 760 R CA 0.704 56.708 56.100 -0.161 0.000 0.995 760 R CB 0.158 30.240 30.300 -0.363 0.000 0.893 760 R HN 0.543 nan 8.270 nan 0.000 0.459 761 Q N 0.273 120.049 119.800 -0.039 0.000 2.302 761 Q HA -0.014 4.341 4.340 0.026 0.000 0.202 761 Q C 1.792 177.802 176.000 0.016 0.000 0.936 761 Q CA 1.473 57.265 55.803 -0.019 0.000 0.886 761 Q CB 0.366 29.103 28.738 -0.002 0.000 0.986 761 Q HN 0.269 nan 8.270 nan 0.000 0.487 762 S N -2.443 113.297 115.700 0.066 0.000 2.483 762 S HA 0.275 4.761 4.470 0.026 0.000 0.221 762 S C 1.488 176.097 174.600 0.015 0.000 1.030 762 S CA 0.502 58.790 58.200 0.147 0.000 0.925 762 S CB 0.254 63.645 63.200 0.318 0.000 0.795 762 S HN 0.519 nan 8.310 nan 0.000 0.511 763 G N 0.510 109.291 108.800 -0.031 0.000 2.143 763 G HA2 -0.217 3.758 3.960 0.026 0.000 0.249 763 G HA3 -0.217 3.758 3.960 0.026 0.000 0.249 763 G C -0.129 174.687 174.900 -0.140 0.000 0.981 763 G CA 0.293 45.328 45.100 -0.109 0.000 0.665 763 G HN 0.527 nan 8.290 nan 0.000 0.528 764 F N -1.111 119.030 119.950 0.319 0.000 2.523 764 F HA 0.673 5.216 4.527 0.026 0.000 0.329 764 F C 0.491 176.351 175.800 0.101 0.000 1.061 764 F CA -1.402 56.749 58.000 0.251 0.000 0.967 764 F CB 1.468 40.571 39.000 0.172 0.000 1.218 764 F HN 0.016 nan 8.300 nan 0.000 0.480 765 L N 2.112 123.439 121.223 0.173 0.000 2.485 765 L HA 0.193 4.549 4.340 0.026 0.000 0.279 765 L C 0.971 177.770 176.870 -0.119 0.000 1.124 765 L CA 0.423 55.040 54.840 -0.372 0.000 0.888 765 L CB 0.207 42.002 42.059 -0.439 0.000 1.217 765 L HN 0.704 nan 8.230 nan 0.000 0.464 766 S N 2.486 118.119 115.700 -0.111 0.000 2.503 766 S HA 0.237 4.723 4.470 0.026 0.000 0.217 766 S C 0.600 175.099 174.600 -0.169 0.000 0.999 766 S CA -0.037 58.127 58.200 -0.061 0.000 0.914 766 S CB 0.048 63.258 63.200 0.016 0.000 0.782 766 S HN 0.694 nan 8.310 nan 0.000 0.520 767 Q N -0.305 119.339 119.800 -0.261 0.000 2.522 767 Q HA 0.713 5.068 4.340 0.026 0.000 0.285 767 Q C -1.901 173.785 176.000 -0.524 0.000 0.982 767 Q CA -0.314 55.197 55.803 -0.487 0.000 0.805 767 Q CB 1.851 30.132 28.738 -0.761 0.000 1.457 767 Q HN 0.415 nan 8.270 nan 0.000 0.394 768 M N 1.584 120.752 119.600 -0.721 0.000 2.421 768 M HA 0.612 5.108 4.480 0.026 0.000 0.287 768 M C -1.878 174.060 176.300 -0.603 0.000 1.183 768 M CA -0.265 54.700 55.300 -0.558 0.000 0.916 768 M CB 1.922 34.187 32.600 -0.558 0.000 1.701 768 M HN 0.581 nan 8.290 nan 0.000 0.470 769 W N 4.594 125.668 121.300 -0.376 0.000 2.785 769 W HA 0.593 5.268 4.660 0.026 0.000 0.333 769 W C -1.445 174.886 176.519 -0.313 0.000 1.062 769 W CA -0.672 56.510 57.345 -0.272 0.000 1.233 769 W CB 1.625 30.958 29.460 -0.212 0.000 1.413 769 W HN 0.449 nan 8.180 nan 0.000 0.489 770 I N 3.080 123.635 120.570 -0.025 0.000 2.390 770 I HA 0.472 4.657 4.170 0.026 0.000 0.283 770 I C 0.811 176.913 176.117 -0.025 0.000 1.016 770 I CA 0.201 61.453 61.300 -0.079 0.000 1.151 770 I CB 0.954 38.881 38.000 -0.121 0.000 1.293 770 I HN 0.693 nan 8.210 nan 0.000 0.458 771 G N 5.780 114.563 108.800 -0.028 0.000 2.527 771 G HA2 -0.325 3.651 3.960 0.026 0.000 0.268 771 G HA3 -0.325 3.651 3.960 0.026 0.000 0.268 771 G C 0.142 175.057 174.900 0.024 0.000 1.175 771 G CA 0.539 45.628 45.100 -0.018 0.000 0.962 771 G HN 0.840 nan 8.290 nan 0.000 0.560 772 D N 0.340 120.763 120.400 0.038 0.000 2.388 772 D HA 0.310 4.965 4.640 0.026 0.000 0.221 772 D C 0.649 177.059 176.300 0.184 0.000 1.133 772 D CA 0.174 54.232 54.000 0.097 0.000 0.831 772 D CB 0.349 41.169 40.800 0.034 0.000 0.962 772 D HN 0.531 nan 8.370 nan 0.000 0.502 773 K N 1.169 121.641 120.400 0.119 0.000 2.234 773 K HA 0.223 4.558 4.320 0.026 0.000 0.277 773 K C -0.257 176.314 176.600 -0.049 0.000 1.038 773 K CA -0.662 55.650 56.287 0.041 0.000 0.888 773 K CB 0.904 33.393 32.500 -0.018 0.000 1.091 773 K HN -0.076 nan 8.250 nan 0.000 0.467 774 K N 2.598 122.884 120.400 -0.189 0.000 2.401 774 K HA 0.005 4.340 4.320 0.026 0.000 0.278 774 K C 0.820 177.223 176.600 -0.330 0.000 1.018 774 K CA -0.084 55.889 56.287 -0.523 0.000 0.981 774 K CB 0.822 33.034 32.500 -0.480 0.000 0.933 774 K HN 0.443 nan 8.250 nan 0.000 0.477 775 Q N 1.522 121.100 119.800 -0.370 0.000 2.352 775 Q HA 0.184 4.539 4.340 0.026 0.000 0.212 775 Q C 0.001 175.924 176.000 -0.130 0.000 0.888 775 Q CA 0.466 56.179 55.803 -0.151 0.000 0.934 775 Q CB 0.491 29.181 28.738 -0.080 0.000 1.093 775 Q HN 0.508 nan 8.270 nan 0.000 0.523 776 L N 0.551 121.630 121.223 -0.239 0.000 2.346 776 L HA 0.385 4.741 4.340 0.026 0.000 0.274 776 L C 0.968 177.709 176.870 -0.215 0.000 1.007 776 L CA -0.397 54.322 54.840 -0.202 0.000 0.818 776 L CB 1.713 43.645 42.059 -0.211 0.000 1.284 776 L HN -0.080 nan 8.230 nan 0.000 0.424 777 L N 0.491 121.582 121.223 -0.220 0.000 2.357 777 L HA 0.155 4.511 4.340 0.026 0.000 0.211 777 L C 0.740 177.496 176.870 -0.190 0.000 1.075 777 L CA 0.540 55.255 54.840 -0.208 0.000 0.830 777 L CB 0.256 42.173 42.059 -0.236 0.000 0.996 777 L HN 0.751 nan 8.230 nan 0.000 0.467 778 T N -2.974 111.441 114.554 -0.231 0.000 2.909 778 T HA 0.544 4.909 4.350 0.026 0.000 0.299 778 T C -2.864 171.765 174.700 -0.118 0.000 1.073 778 T CA -2.112 59.901 62.100 -0.144 0.000 0.999 778 T CB 2.299 71.100 68.868 -0.112 0.000 1.098 778 T HN -0.304 nan 8.240 nan 0.000 0.477 779 P HA 0.238 nan 4.420 nan 0.000 0.271 779 P C -0.525 176.753 177.300 -0.037 0.000 1.233 779 P CA -0.740 62.337 63.100 -0.040 0.000 0.789 779 P CB 0.296 31.997 31.700 0.001 0.000 0.951 780 L N 3.015 124.261 121.223 0.037 0.000 2.315 780 L HA 0.269 4.624 4.340 0.026 0.000 0.283 780 L C 0.127 176.982 176.870 -0.026 0.000 1.089 780 L CA 0.596 55.495 54.840 0.098 0.000 0.833 780 L CB -0.614 41.621 42.059 0.293 0.000 1.170 780 L HN 0.291 nan 8.230 nan 0.000 0.442 781 R N 2.661 123.056 120.500 -0.176 0.000 2.837 781 R HA 0.459 4.815 4.340 0.026 0.000 0.271 781 R C -1.007 175.164 176.300 -0.215 0.000 0.993 781 R CA -0.988 54.842 56.100 -0.450 0.000 0.931 781 R CB 1.200 31.051 30.300 -0.749 0.000 1.206 781 R HN 0.551 nan 8.270 nan 0.000 0.474 782 D N 1.243 121.576 120.400 -0.112 0.000 2.423 782 D HA 0.026 4.682 4.640 0.026 0.000 0.238 782 D C -0.476 175.437 176.300 -0.644 0.000 1.142 782 D CA 0.551 54.345 54.000 -0.343 0.000 0.884 782 D CB 0.620 41.176 40.800 -0.407 0.000 1.199 782 D HN 0.201 nan 8.370 nan 0.000 0.438 783 Q N 1.279 120.506 119.800 -0.956 0.000 2.285 783 Q HA 0.357 4.713 4.340 0.026 0.000 0.269 783 Q C -1.239 174.061 176.000 -1.167 0.000 1.030 783 Q CA -0.584 54.709 55.803 -0.851 0.000 0.788 783 Q CB 0.812 29.273 28.738 -0.461 0.000 1.266 783 Q HN 0.575 nan 8.270 nan 0.000 0.438 784 F N 0.703 120.278 119.950 -0.625 0.000 2.729 784 F HA 0.190 4.732 4.527 0.025 0.000 0.315 784 F C 0.588 175.952 175.800 -0.726 0.000 1.102 784 F CA -0.268 57.247 58.000 -0.808 0.000 1.204 784 F CB 1.572 39.769 39.000 -1.338 0.000 1.052 784 F HN 0.440 nan 8.300 nan 0.000 0.551 785 T N -0.762 113.500 114.554 -0.485 0.000 2.926 785 T HA 0.771 5.136 4.350 0.026 0.000 0.289 785 T C -0.513 173.943 174.700 -0.407 0.000 1.054 785 T CA -0.924 60.824 62.100 -0.587 0.000 1.015 785 T CB 2.676 71.141 68.868 -0.671 0.000 1.167 785 T HN 0.258 nan 8.240 nan 0.000 0.526 786 R N -0.188 120.109 120.500 -0.339 0.000 2.771 786 R HA 0.756 5.111 4.340 0.026 0.000 0.274 786 R C -0.934 175.417 176.300 0.085 0.000 0.987 786 R CA -1.208 54.817 56.100 -0.125 0.000 0.908 786 R CB 1.528 31.749 30.300 -0.131 0.000 1.213 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.310 126.163 122.820 0.055 0.000 2.484 787 A HA 0.315 4.650 4.320 0.026 0.000 0.268 787 A C -2.068 175.577 177.584 0.101 0.000 1.114 787 A CA -1.393 50.675 52.037 0.052 0.000 0.780 787 A CB -0.417 18.561 19.000 -0.037 0.000 1.061 787 A HN 0.528 nan 8.150 nan 0.000 0.505 788 P HA 0.114 nan 4.420 nan 0.000 0.264 788 P C -0.182 177.229 177.300 0.185 0.000 1.193 788 P CA 0.382 63.639 63.100 0.261 0.000 0.763 788 P CB 0.324 32.207 31.700 0.306 0.000 0.810 789 L N 2.452 123.752 121.223 0.129 0.000 2.475 789 L HA 0.151 4.507 4.340 0.026 0.000 0.253 789 L C 1.814 178.691 176.870 0.011 0.000 1.198 789 L CA -0.403 54.447 54.840 0.016 0.000 0.814 789 L CB -0.011 41.987 42.059 -0.101 0.000 1.134 789 L HN 0.295 nan 8.230 nan 0.000 0.478 790 D N 0.335 120.675 120.400 -0.100 0.000 2.123 790 D HA -0.161 4.494 4.640 0.026 0.000 0.196 790 D C 1.664 177.871 176.300 -0.155 0.000 0.992 790 D CA 1.408 55.263 54.000 -0.241 0.000 0.833 790 D CB 0.020 40.608 40.800 -0.353 0.000 0.954 790 D HN 0.474 nan 8.370 nan 0.000 0.455 791 N N 0.977 119.611 118.700 -0.110 0.000 2.244 791 N HA -0.110 4.645 4.740 0.026 0.000 0.183 791 N C 1.199 176.716 175.510 0.012 0.000 1.016 791 N CA 0.732 53.753 53.050 -0.049 0.000 0.866 791 N CB -0.185 38.267 38.487 -0.057 0.000 0.980 791 N HN 0.259 nan 8.380 nan 0.000 0.430 792 D N 0.432 120.854 120.400 0.037 0.000 2.183 792 D HA 0.039 4.695 4.640 0.026 0.000 0.203 792 D C 2.013 178.351 176.300 0.063 0.000 0.969 792 D CA 0.422 54.478 54.000 0.094 0.000 0.842 792 D CB 0.074 41.007 40.800 0.221 0.000 0.957 792 D HN 0.297 nan 8.370 nan 0.000 0.484 793 I N 0.628 121.221 120.570 0.038 0.000 2.480 793 I HA -0.032 4.154 4.170 0.026 0.000 0.251 793 I C 1.623 177.749 176.117 0.016 0.000 1.124 793 I CA 0.528 61.837 61.300 0.015 0.000 1.444 793 I CB -0.079 37.895 38.000 -0.043 0.000 1.098 793 I HN -0.049 nan 8.210 nan 0.000 0.428 794 A N 0.604 123.441 122.820 0.028 0.000 5.382 794 A HA -0.336 3.999 4.320 0.026 0.000 0.307 794 A C 1.255 178.989 177.584 0.250 0.000 1.937 794 A CA 2.092 54.211 52.037 0.138 0.000 0.715 794 A CB -1.701 17.345 19.000 0.077 0.000 1.293 794 A HN 0.638 nan 8.150 nan 0.000 0.374 795 V N -1.958 118.060 119.914 0.173 0.000 3.633 795 V HA 0.527 4.662 4.120 0.026 0.000 0.283 795 V C 0.922 177.040 176.094 0.040 0.000 1.305 795 V CA 1.280 63.639 62.300 0.100 0.000 1.153 795 V CB -0.476 31.323 31.823 -0.039 0.000 0.950 795 V HN 1.469 nan 8.190 nan 0.000 0.432 796 S N 0.906 116.626 115.700 0.032 0.000 2.572 796 S HA 0.430 4.915 4.470 0.026 0.000 0.279 796 S C -0.182 174.425 174.600 0.012 0.000 1.341 796 S CA -0.032 58.171 58.200 0.005 0.000 1.043 796 S CB 0.697 63.894 63.200 -0.006 0.000 0.887 796 S HN 0.831 nan 8.310 nan 0.000 0.516 797 E N 0.551 120.753 120.200 0.005 0.000 2.372 797 E HA 0.519 4.885 4.350 0.026 0.000 0.279 797 E C 0.384 176.991 176.600 0.011 0.000 0.946 797 E CA -0.364 56.043 56.400 0.013 0.000 0.769 797 E CB 1.393 31.100 29.700 0.010 0.000 1.230 797 E HN 0.605 nan 8.360 nan 0.000 0.442 798 A N 1.103 123.936 122.820 0.021 0.000 1.958 798 A HA -0.238 4.097 4.320 0.026 0.000 0.221 798 A C 1.734 179.327 177.584 0.015 0.000 1.178 798 A CA 2.675 54.725 52.037 0.021 0.000 0.642 798 A CB -0.873 18.145 19.000 0.030 0.000 0.816 798 A HN 0.670 nan 8.150 nan 0.000 0.453 799 T N -3.759 110.803 114.554 0.012 0.000 3.081 799 T HA 0.229 4.594 4.350 0.026 0.000 0.255 799 T C 0.913 175.611 174.700 -0.004 0.000 1.113 799 T CA 0.491 62.594 62.100 0.006 0.000 1.082 799 T CB 0.143 69.016 68.868 0.009 0.000 0.939 799 T HN 0.296 nan 8.240 nan 0.000 0.506 800 R N 1.095 121.590 120.500 -0.008 0.000 3.107 800 R HA 0.255 4.610 4.340 0.026 0.000 0.224 800 R C -1.295 174.993 176.300 -0.019 0.000 1.734 800 R CA -0.459 55.629 56.100 -0.019 0.000 1.303 800 R CB 0.356 30.638 30.300 -0.031 0.000 1.570 800 R HN 0.153 nan 8.270 nan 0.000 0.606 801 I N 1.437 121.998 120.570 -0.015 0.000 2.813 801 I HA -0.045 4.140 4.170 0.026 0.000 0.287 801 I C 0.750 176.848 176.117 -0.032 0.000 1.196 801 I CA 0.259 61.548 61.300 -0.018 0.000 1.421 801 I CB 0.402 38.393 38.000 -0.015 0.000 1.365 801 I HN 0.343 nan 8.210 nan 0.000 0.591 802 D N 7.888 128.265 120.400 -0.037 0.000 2.460 802 D HA 0.291 4.946 4.640 0.026 0.000 0.232 802 D C -1.725 174.531 176.300 -0.074 0.000 1.079 802 D CA -2.216 51.752 54.000 -0.053 0.000 0.864 802 D CB 1.656 42.426 40.800 -0.050 0.000 1.048 802 D HN 0.179 nan 8.370 nan 0.000 0.523 803 P HA -0.146 nan 4.420 nan 0.000 0.221 803 P C 0.854 178.060 177.300 -0.157 0.000 1.145 803 P CA 0.788 63.828 63.100 -0.100 0.000 0.795 803 P CB 0.429 32.078 31.700 -0.084 0.000 0.775 804 N N -0.034 118.567 118.700 -0.165 0.000 2.446 804 N HA 0.045 4.801 4.740 0.026 0.000 0.179 804 N C 0.523 175.850 175.510 -0.305 0.000 1.054 804 N CA 0.107 53.016 53.050 -0.235 0.000 0.905 804 N CB -0.420 37.960 38.487 -0.178 0.000 0.973 804 N HN -0.032 nan 8.380 nan 0.000 0.448 805 A N -0.405 122.283 122.820 -0.221 0.000 2.483 805 A HA 0.049 4.384 4.320 0.026 0.000 0.238 805 A C 0.620 178.007 177.584 -0.329 0.000 1.070 805 A CA -0.263 51.650 52.037 -0.206 0.000 0.770 805 A CB -0.169 18.774 19.000 -0.094 0.000 1.008 805 A HN 0.560 nan 8.150 nan 0.000 0.497 806 W N 1.644 122.692 121.300 -0.419 0.000 2.338 806 W HA -0.157 4.518 4.660 0.025 0.000 0.304 806 W C 2.214 178.166 176.519 -0.944 0.000 1.212 806 W CA 1.655 58.486 57.345 -0.857 0.000 1.264 806 W CB -0.355 28.463 29.460 -1.070 0.000 1.142 806 W HN 0.566 nan 8.180 nan 0.000 0.512 807 V N 0.966 120.749 119.914 -0.218 0.000 2.332 807 V HA -0.288 3.847 4.120 0.026 0.000 0.248 807 V C 2.185 178.345 176.094 0.110 0.000 1.055 807 V CA 2.191 64.563 62.300 0.120 0.000 1.038 807 V CB -0.363 31.581 31.823 0.203 0.000 0.651 807 V HN 0.086 nan 8.190 nan 0.000 0.450 808 E N -0.130 120.053 120.200 -0.029 0.000 2.150 808 E HA -0.188 4.177 4.350 0.026 0.000 0.193 808 E C 2.326 178.892 176.600 -0.057 0.000 0.985 808 E CA 1.121 57.508 56.400 -0.022 0.000 0.814 808 E CB -0.333 29.328 29.700 -0.065 0.000 0.752 808 E HN 0.629 nan 8.360 nan 0.000 0.466 809 R N -0.176 120.205 120.500 -0.197 0.000 2.066 809 R HA -0.109 4.247 4.340 0.026 0.000 0.232 809 R C 2.328 178.561 176.300 -0.112 0.000 1.131 809 R CA 1.255 57.214 56.100 -0.235 0.000 0.955 809 R CB -0.232 29.797 30.300 -0.452 0.000 0.851 809 R HN 0.240 nan 8.270 nan 0.000 0.432 810 W N 1.615 122.873 121.300 -0.071 0.000 2.335 810 W HA -0.134 4.541 4.660 0.026 0.000 0.311 810 W C 2.049 178.504 176.519 -0.107 0.000 1.213 810 W CA 0.825 58.024 57.345 -0.243 0.000 1.274 810 W CB -0.796 28.642 29.460 -0.037 0.000 1.148 810 W HN 0.113 nan 8.180 nan 0.000 0.498 811 K N -0.073 120.542 120.400 0.358 0.000 2.032 811 K HA -0.134 4.202 4.320 0.026 0.000 0.209 811 K C 2.280 178.949 176.600 0.116 0.000 1.048 811 K CA 2.006 58.471 56.287 0.297 0.000 0.927 811 K CB -0.629 31.991 32.500 0.201 0.000 0.712 811 K HN 0.002 nan 8.250 nan 0.000 0.441 812 A N 0.959 123.815 122.820 0.059 0.000 1.972 812 A HA -0.092 4.243 4.320 0.026 0.000 0.219 812 A C 2.195 179.788 177.584 0.016 0.000 1.169 812 A CA 1.796 53.850 52.037 0.029 0.000 0.635 812 A CB -0.555 18.447 19.000 0.003 0.000 0.810 812 A HN 0.361 nan 8.150 nan 0.000 0.446 813 A N -1.947 120.856 122.820 -0.029 0.000 2.167 813 A HA 0.386 4.721 4.320 0.026 0.000 0.214 813 A C 1.849 179.403 177.584 -0.050 0.000 1.151 813 A CA 1.315 53.347 52.037 -0.008 0.000 0.735 813 A CB -0.819 18.129 19.000 -0.085 0.000 0.802 813 A HN 1.882 nan 8.150 nan 0.000 0.467 814 G N -1.729 106.932 108.800 -0.231 0.000 2.141 814 G HA2 -0.292 3.683 3.960 0.026 0.000 0.231 814 G HA3 -0.292 3.683 3.960 0.026 0.000 0.231 814 G C 0.561 175.399 174.900 -0.104 0.000 0.984 814 G CA 0.618 45.287 45.100 -0.718 0.000 0.660 814 G HN 0.745 nan 8.290 nan 0.000 0.525 815 H N -1.413 117.616 119.070 -0.069 0.000 2.426 815 H HA -0.115 4.456 4.556 0.026 0.000 0.298 815 H C 2.096 177.387 175.328 -0.062 0.000 1.107 815 H CA 1.664 57.686 56.048 -0.043 0.000 1.298 815 H CB 0.073 29.759 29.762 -0.126 0.000 1.377 815 H HN 0.626 nan 8.280 nan 0.000 0.519 816 Y N -0.126 120.280 120.300 0.176 0.000 2.500 816 Y HA 0.008 4.574 4.550 0.025 0.000 0.270 816 Y C 2.183 178.154 175.900 0.119 0.000 1.134 816 Y CA 0.264 58.435 58.100 0.119 0.000 1.293 816 Y CB 0.505 39.019 38.460 0.091 0.000 1.063 816 Y HN 0.134 nan 8.280 nan 0.000 0.534 817 Q N -0.060 119.891 119.800 0.251 0.000 2.319 817 Q HA 0.286 4.641 4.340 0.026 0.000 0.209 817 Q C 0.621 176.802 176.000 0.302 0.000 0.884 817 Q CA -0.236 55.713 55.803 0.244 0.000 0.938 817 Q CB 0.507 29.380 28.738 0.223 0.000 1.098 817 Q HN 0.299 nan 8.270 nan 0.000 0.517 818 A N 2.822 125.833 122.820 0.319 0.000 2.567 818 A HA -0.037 4.299 4.320 0.026 0.000 0.240 818 A C 0.091 177.989 177.584 0.523 0.000 1.053 818 A CA 0.315 52.618 52.037 0.443 0.000 0.755 818 A CB 0.055 19.334 19.000 0.464 0.000 0.978 818 A HN 0.222 nan 8.150 nan 0.000 0.507 819 E N 2.214 122.649 120.200 0.393 0.000 2.156 819 E HA 0.549 4.914 4.350 0.026 0.000 0.279 819 E C -0.281 176.292 176.600 -0.045 0.000 0.965 819 E CA -0.429 56.103 56.400 0.220 0.000 0.789 819 E CB 1.363 31.158 29.700 0.159 0.000 1.098 819 E HN 0.637 nan 8.360 nan 0.000 0.397 820 A N 2.816 125.509 122.820 -0.212 0.000 2.450 820 A HA 0.517 4.852 4.320 0.026 0.000 0.255 820 A C -0.083 177.359 177.584 -0.236 0.000 1.096 820 A CA -0.070 51.576 52.037 -0.652 0.000 0.778 820 A CB 0.360 19.139 19.000 -0.368 0.000 1.031 820 A HN 0.744 nan 8.150 nan 0.000 0.494 821 A N 2.400 125.062 122.820 -0.263 0.000 2.331 821 A HA 0.610 4.945 4.320 0.026 0.000 0.320 821 A C -0.581 176.931 177.584 -0.120 0.000 1.138 821 A CA -0.553 51.418 52.037 -0.109 0.000 0.790 821 A CB 0.739 19.694 19.000 -0.075 0.000 1.206 821 A HN 1.310 nan 8.150 nan 0.000 0.470 822 L N 3.129 124.271 121.223 -0.136 0.000 2.290 822 L HA 0.455 4.811 4.340 0.026 0.000 0.284 822 L C 0.209 176.952 176.870 -0.211 0.000 1.078 822 L CA 0.152 54.806 54.840 -0.309 0.000 0.815 822 L CB 0.494 42.375 42.059 -0.296 0.000 1.162 822 L HN 0.747 nan 8.230 nan 0.000 0.435 823 L N 3.418 124.500 121.223 -0.235 0.000 2.575 823 L HA 0.385 4.740 4.340 0.026 0.000 0.228 823 L C 0.242 177.045 176.870 -0.111 0.000 1.075 823 L CA -0.050 54.716 54.840 -0.123 0.000 0.867 823 L CB 0.073 42.091 42.059 -0.068 0.000 1.097 823 L HN 0.749 nan 8.230 nan 0.000 0.485 824 Q N -0.298 119.403 119.800 -0.164 0.000 2.503 824 Q HA 0.365 4.720 4.340 0.026 0.000 0.268 824 Q C -2.012 173.926 176.000 -0.103 0.000 0.982 824 Q CA -0.548 55.196 55.803 -0.097 0.000 0.907 824 Q CB 2.724 31.432 28.738 -0.049 0.000 1.467 824 Q HN 0.038 nan 8.270 nan 0.000 0.394 825 C N 3.430 122.717 119.300 -0.021 0.000 2.789 825 C HA 0.830 5.306 4.460 0.026 0.000 0.367 825 C C -1.094 174.023 174.990 0.212 0.000 1.062 825 C CA 0.570 59.628 59.018 0.066 0.000 1.297 825 C CB 0.480 28.239 27.740 0.031 0.000 1.794 825 C HN 0.815 nan 8.230 nan 0.000 0.474 826 T N 2.409 117.037 114.554 0.124 0.000 2.903 826 T HA 0.876 5.241 4.350 0.026 0.000 0.299 826 T C -0.560 173.900 174.700 -0.400 0.000 1.093 826 T CA -0.263 61.841 62.100 0.006 0.000 1.002 826 T CB 1.883 70.730 68.868 -0.036 0.000 1.127 826 T HN 1.519 nan 8.240 nan 0.000 0.488 827 A N 1.905 124.267 122.820 -0.763 0.000 2.342 827 A HA 0.792 5.128 4.320 0.026 0.000 0.323 827 A C -1.056 176.264 177.584 -0.442 0.000 1.125 827 A CA -0.658 50.857 52.037 -0.870 0.000 0.785 827 A CB 1.096 19.240 19.000 -1.426 0.000 1.221 827 A HN 0.865 nan 8.150 nan 0.000 0.463 828 D N 0.977 121.179 120.400 -0.330 0.000 2.857 828 D HA 0.508 5.163 4.640 0.026 0.000 0.227 828 D C -0.800 175.392 176.300 -0.180 0.000 1.192 828 D CA 0.062 53.939 54.000 -0.205 0.000 0.857 828 D CB 2.235 42.947 40.800 -0.147 0.000 1.645 828 D HN 0.616 nan 8.370 nan 0.000 0.482 829 T N -0.173 114.301 114.554 -0.134 0.000 2.795 829 T HA 0.707 5.072 4.350 0.026 0.000 0.282 829 T C 0.525 175.179 174.700 -0.076 0.000 0.980 829 T CA -0.740 61.295 62.100 -0.107 0.000 1.012 829 T CB 1.057 69.872 68.868 -0.087 0.000 0.936 829 T HN 0.172 nan 8.240 nan 0.000 0.457 830 L N 1.684 122.867 121.223 -0.068 0.000 2.347 830 L HA 0.638 4.993 4.340 0.026 0.000 0.268 830 L C 2.038 178.888 176.870 -0.033 0.000 1.019 830 L CA -1.454 53.357 54.840 -0.049 0.000 0.806 830 L CB 0.498 42.527 42.059 -0.049 0.000 1.339 830 L HN 0.794 nan 8.230 nan 0.000 0.463 831 A N 0.352 123.158 122.820 -0.023 0.000 1.972 831 A HA -0.167 4.168 4.320 0.026 0.000 0.219 831 A C 1.090 178.668 177.584 -0.010 0.000 1.169 831 A CA 2.023 54.052 52.037 -0.013 0.000 0.635 831 A CB -0.501 18.493 19.000 -0.010 0.000 0.810 831 A HN 0.898 nan 8.150 nan 0.000 0.446 832 D N -2.763 117.628 120.400 -0.015 0.000 2.540 832 D HA 0.551 5.206 4.640 0.026 0.000 0.229 832 D C 0.127 176.413 176.300 -0.023 0.000 1.250 832 D CA 0.684 54.678 54.000 -0.011 0.000 0.817 832 D CB -0.189 40.606 40.800 -0.008 0.000 1.060 832 D HN 0.477 nan 8.370 nan 0.000 0.508 833 A N -0.548 122.248 122.820 -0.040 0.000 2.536 833 A HA 0.645 4.980 4.320 0.026 0.000 0.293 833 A C -1.781 175.748 177.584 -0.091 0.000 1.119 833 A CA -0.697 51.300 52.037 -0.067 0.000 0.654 833 A CB 1.365 20.323 19.000 -0.070 0.000 1.291 833 A HN -0.004 nan 8.150 nan 0.000 0.439 834 V N 0.606 120.442 119.914 -0.130 0.000 2.495 834 V HA 0.612 4.747 4.120 0.026 0.000 0.298 834 V C -0.997 174.985 176.094 -0.187 0.000 1.031 834 V CA -0.399 61.801 62.300 -0.168 0.000 0.871 834 V CB 1.351 33.064 31.823 -0.183 0.000 0.988 834 V HN 0.896 nan 8.190 nan 0.000 0.432 835 L N 6.752 127.856 121.223 -0.199 0.000 2.316 835 L HA 0.629 4.985 4.340 0.026 0.000 0.280 835 L C -0.786 175.929 176.870 -0.260 0.000 1.006 835 L CA 0.136 54.868 54.840 -0.180 0.000 0.836 835 L CB 0.924 42.909 42.059 -0.124 0.000 1.221 835 L HN 0.405 nan 8.230 nan 0.000 0.418 836 I N 3.970 124.364 120.570 -0.294 0.000 2.392 836 I HA 0.442 4.627 4.170 0.026 0.000 0.295 836 I C 0.130 176.188 176.117 -0.100 0.000 0.985 836 I CA -0.207 60.857 61.300 -0.394 0.000 1.221 836 I CB 1.634 39.096 38.000 -0.896 0.000 1.366 836 I HN 0.565 nan 8.210 nan 0.000 0.467 837 T N 4.731 119.235 114.554 -0.083 0.000 2.824 837 T HA 0.626 4.992 4.350 0.026 0.000 0.282 837 T C 0.029 174.763 174.700 0.056 0.000 0.993 837 T CA -0.477 61.638 62.100 0.024 0.000 0.967 837 T CB 1.769 70.625 68.868 -0.021 0.000 0.960 837 T HN 0.812 nan 8.240 nan 0.000 0.441 838 T N -0.340 114.291 114.554 0.129 0.000 2.901 838 T HA 0.897 5.263 4.350 0.026 0.000 0.293 838 T C -1.230 173.519 174.700 0.082 0.000 1.084 838 T CA -1.074 61.077 62.100 0.084 0.000 1.008 838 T CB 2.030 71.018 68.868 0.200 0.000 1.170 838 T HN 0.773 nan 8.240 nan 0.000 0.509 839 A N 1.283 124.075 122.820 -0.047 0.000 2.465 839 A HA 0.738 5.073 4.320 0.026 0.000 0.292 839 A C -1.503 176.004 177.584 -0.128 0.000 1.041 839 A CA -0.765 51.294 52.037 0.035 0.000 0.718 839 A CB 0.815 19.832 19.000 0.028 0.000 1.266 839 A HN 0.990 nan 8.150 nan 0.000 0.403 840 H N 0.199 119.317 119.070 0.080 0.000 2.821 840 H HA 0.795 5.366 4.556 0.026 0.000 0.373 840 H C 0.004 175.325 175.328 -0.011 0.000 1.165 840 H CA 0.243 56.251 56.048 -0.067 0.000 1.154 840 H CB 2.140 31.762 29.762 -0.233 0.000 1.765 840 H HN 0.984 nan 8.280 nan 0.000 0.549 841 A N 1.822 124.624 122.820 -0.029 0.000 2.331 841 A HA 0.419 4.755 4.320 0.026 0.000 0.320 841 A C -1.266 176.248 177.584 -0.117 0.000 1.138 841 A CA -0.689 51.384 52.037 0.060 0.000 0.790 841 A CB 0.946 19.973 19.000 0.045 0.000 1.206 841 A HN 0.578 nan 8.150 nan 0.000 0.470 842 W N 1.892 123.307 121.300 0.192 0.000 2.429 842 W HA 0.461 5.136 4.660 0.026 0.000 0.314 842 W C -0.297 176.247 176.519 0.042 0.000 1.062 842 W CA -0.137 57.315 57.345 0.179 0.000 1.211 842 W CB 1.741 31.361 29.460 0.266 0.000 1.305 842 W HN 0.767 nan 8.180 nan 0.000 0.476 843 Q N 1.087 121.031 119.800 0.239 0.000 2.451 843 Q HA 0.400 4.755 4.340 0.026 0.000 0.281 843 Q C -1.001 175.140 176.000 0.235 0.000 1.099 843 Q CA -0.755 55.144 55.803 0.160 0.000 0.806 843 Q CB 3.604 32.391 28.738 0.082 0.000 1.419 843 Q HN 0.383 nan 8.270 nan 0.000 0.427 844 H N 1.482 120.590 119.070 0.064 0.000 3.096 844 H HA 0.099 4.671 4.556 0.026 0.000 0.335 844 H C -1.010 174.351 175.328 0.055 0.000 0.990 844 H CA -0.155 55.939 56.048 0.076 0.000 1.393 844 H CB 1.181 30.997 29.762 0.091 0.000 1.742 844 H HN 0.790 nan 8.280 nan 0.000 0.501 845 Q N 2.868 122.400 119.800 -0.447 0.000 2.434 845 Q HA -0.253 4.102 4.340 0.026 0.000 0.299 845 Q C 1.010 176.955 176.000 -0.091 0.000 1.286 845 Q CA 1.372 57.015 55.803 -0.266 0.000 0.872 845 Q CB -1.255 27.324 28.738 -0.265 0.000 1.193 845 Q HN 1.179 nan 8.270 nan 0.000 0.466 846 G N -1.051 107.720 108.800 -0.049 0.000 2.199 846 G HA2 -0.364 3.611 3.960 0.026 0.000 0.254 846 G HA3 -0.364 3.611 3.960 0.026 0.000 0.254 846 G C -0.031 174.875 174.900 0.010 0.000 0.982 846 G CA 0.324 45.417 45.100 -0.012 0.000 0.632 846 G HN 0.362 nan 8.290 nan 0.000 0.529 847 K N 1.657 122.073 120.400 0.027 0.000 2.185 847 K HA 0.660 4.995 4.320 0.026 0.000 0.269 847 K C -0.034 176.584 176.600 0.031 0.000 0.987 847 K CA -0.246 56.062 56.287 0.034 0.000 0.865 847 K CB 0.954 33.487 32.500 0.056 0.000 1.090 847 K HN 0.003 nan 8.250 nan 0.000 0.450 848 T N 6.397 120.960 114.554 0.015 0.000 2.723 848 T HA 0.236 4.601 4.350 0.026 0.000 0.297 848 T C 1.134 175.794 174.700 -0.068 0.000 0.925 848 T CA -0.426 61.680 62.100 0.011 0.000 1.030 848 T CB 0.289 69.181 68.868 0.040 0.000 0.905 848 T HN 0.539 nan 8.240 nan 0.000 0.502 849 L N 2.400 123.503 121.223 -0.199 0.000 2.102 849 L HA 0.311 4.666 4.340 0.026 0.000 0.202 849 L C -0.026 176.420 176.870 -0.707 0.000 1.076 849 L CA 1.032 55.496 54.840 -0.626 0.000 0.761 849 L CB 0.021 41.365 42.059 -1.191 0.000 0.921 849 L HN 0.528 nan 8.230 nan 0.000 0.444 850 F N -1.155 118.762 119.950 -0.055 0.000 2.601 850 F HA 0.533 5.075 4.527 0.025 0.000 0.309 850 F C -0.520 175.400 175.800 0.199 0.000 1.089 850 F CA -0.790 57.121 58.000 -0.148 0.000 0.940 850 F CB 1.979 40.481 39.000 -0.830 0.000 1.273 850 F HN -0.315 nan 8.300 nan 0.000 0.450 851 I N 1.629 122.426 120.570 0.378 0.000 2.436 851 I HA 0.371 4.556 4.170 0.026 0.000 0.289 851 I C -0.623 175.767 176.117 0.456 0.000 1.010 851 I CA -0.527 61.023 61.300 0.416 0.000 1.098 851 I CB 2.125 40.279 38.000 0.256 0.000 1.266 851 I HN 0.513 nan 8.210 nan 0.000 0.434 852 S N 6.623 122.689 115.700 0.609 0.000 2.456 852 S HA 0.561 5.046 4.470 0.026 0.000 0.316 852 S C -0.610 174.227 174.600 0.396 0.000 1.089 852 S CA -0.669 57.849 58.200 0.531 0.000 1.101 852 S CB 0.589 64.208 63.200 0.698 0.000 0.995 852 S HN 0.515 nan 8.310 nan 0.000 0.468 853 R N 3.591 124.251 120.500 0.266 0.000 2.437 853 R HA 0.568 4.923 4.340 0.026 0.000 0.310 853 R C -0.668 175.705 176.300 0.122 0.000 0.955 853 R CA -0.746 55.465 56.100 0.186 0.000 0.851 853 R CB 1.774 32.160 30.300 0.143 0.000 1.161 853 R HN 0.558 nan 8.270 nan 0.000 0.446 854 K N 0.643 121.106 120.400 0.105 0.000 2.466 854 K HA 0.491 4.826 4.320 0.026 0.000 0.260 854 K C -0.857 175.734 176.600 -0.016 0.000 1.011 854 K CA -0.899 55.376 56.287 -0.020 0.000 0.871 854 K CB 2.584 35.042 32.500 -0.071 0.000 1.404 854 K HN 0.651 nan 8.250 nan 0.000 0.450 855 T N -1.439 113.033 114.554 -0.137 0.000 2.933 855 T HA 0.569 4.935 4.350 0.026 0.000 0.305 855 T C -1.483 173.119 174.700 -0.164 0.000 1.092 855 T CA -0.747 61.324 62.100 -0.049 0.000 1.008 855 T CB 0.548 69.402 68.868 -0.023 0.000 1.102 855 T HN 0.405 nan 8.240 nan 0.000 0.469 856 Y N 0.907 121.170 120.300 -0.062 0.000 2.361 856 Y HA 0.660 5.225 4.550 0.026 0.000 0.337 856 Y C 0.388 176.212 175.900 -0.127 0.000 0.965 856 Y CA -1.101 56.976 58.100 -0.037 0.000 1.091 856 Y CB 2.062 40.516 38.460 -0.010 0.000 1.182 856 Y HN 0.734 nan 8.280 nan 0.000 0.450 857 R N 4.518 125.039 120.500 0.035 0.000 2.371 857 R HA 0.620 4.975 4.340 0.026 0.000 0.312 857 R C -1.711 174.530 176.300 -0.098 0.000 0.980 857 R CA -0.398 55.673 56.100 -0.048 0.000 0.867 857 R CB 0.459 30.740 30.300 -0.032 0.000 1.163 857 R HN 0.790 nan 8.270 nan 0.000 0.492 858 I N 4.964 125.415 120.570 -0.199 0.000 2.321 858 I HA 0.193 4.378 4.170 0.026 0.000 0.291 858 I C 0.037 176.025 176.117 -0.215 0.000 0.998 858 I CA -0.458 60.639 61.300 -0.338 0.000 1.227 858 I CB 1.288 38.870 38.000 -0.696 0.000 1.368 858 I HN 0.646 nan 8.210 nan 0.000 0.466 859 D N 4.628 124.941 120.400 -0.145 0.000 2.467 859 D HA 0.220 4.875 4.640 0.026 0.000 0.245 859 D C 1.139 177.429 176.300 -0.016 0.000 1.038 859 D CA -0.728 53.234 54.000 -0.064 0.000 1.038 859 D CB 1.585 42.367 40.800 -0.030 0.000 1.278 859 D HN 0.526 nan 8.370 nan 0.000 0.564 860 G N -0.598 108.209 108.800 0.013 0.000 2.516 860 G HA2 -0.235 3.740 3.960 0.026 0.000 0.221 860 G HA3 -0.235 3.740 3.960 0.026 0.000 0.221 860 G C 1.202 176.148 174.900 0.077 0.000 1.107 860 G CA 1.286 46.415 45.100 0.048 0.000 0.747 860 G HN 0.564 nan 8.290 nan 0.000 0.567 861 S N -1.254 114.486 115.700 0.067 0.000 2.575 861 S HA 0.390 4.875 4.470 0.026 0.000 0.215 861 S C 1.853 176.524 174.600 0.118 0.000 0.966 861 S CA 0.875 59.129 58.200 0.089 0.000 0.911 861 S CB 0.165 63.407 63.200 0.070 0.000 0.780 861 S HN 1.459 nan 8.310 nan 0.000 0.514 862 G N 0.722 109.601 108.800 0.132 0.000 2.176 862 G HA2 -0.248 3.728 3.960 0.026 0.000 0.253 862 G HA3 -0.248 3.728 3.960 0.026 0.000 0.253 862 G C -0.150 174.878 174.900 0.212 0.000 0.979 862 G CA 0.064 45.309 45.100 0.241 0.000 0.641 862 G HN 0.608 nan 8.290 nan 0.000 0.530 863 Q N -0.241 119.626 119.800 0.111 0.000 2.293 863 Q HA 0.617 4.972 4.340 0.026 0.000 0.251 863 Q C 0.212 176.236 176.000 0.040 0.000 0.930 863 Q CA -0.079 55.792 55.803 0.113 0.000 0.893 863 Q CB 1.421 30.215 28.738 0.094 0.000 1.215 863 Q HN 0.442 nan 8.270 nan 0.000 0.425 864 M N 2.236 121.897 119.600 0.101 0.000 2.044 864 M HA 0.464 4.959 4.480 0.026 0.000 0.333 864 M C -1.307 175.088 176.300 0.158 0.000 1.004 864 M CA -0.457 54.873 55.300 0.050 0.000 0.954 864 M CB 0.837 33.487 32.600 0.085 0.000 1.468 864 M HN 0.702 nan 8.290 nan 0.000 0.414 865 A N 6.667 129.544 122.820 0.096 0.000 2.320 865 A HA 0.663 4.998 4.320 0.026 0.000 0.287 865 A C -0.706 176.915 177.584 0.061 0.000 1.181 865 A CA -0.529 51.566 52.037 0.097 0.000 0.831 865 A CB 0.066 19.103 19.000 0.061 0.000 1.102 865 A HN 0.917 nan 8.150 nan 0.000 0.513 866 I N 2.416 123.007 120.570 0.035 0.000 2.362 866 I HA 0.309 4.495 4.170 0.026 0.000 0.289 866 I C -0.190 175.811 176.117 -0.195 0.000 0.994 866 I CA -0.216 61.001 61.300 -0.139 0.000 1.158 866 I CB 2.138 40.064 38.000 -0.123 0.000 1.315 866 I HN 0.511 nan 8.210 nan 0.000 0.451 867 T N 5.776 120.185 114.554 -0.242 0.000 2.758 867 T HA 0.533 4.899 4.350 0.026 0.000 0.285 867 T C -0.217 174.285 174.700 -0.331 0.000 0.981 867 T CA -0.505 61.449 62.100 -0.243 0.000 0.965 867 T CB 1.611 70.438 68.868 -0.069 0.000 0.927 867 T HN 0.204 nan 8.240 nan 0.000 0.448 868 V N 3.557 123.146 119.914 -0.542 0.000 2.540 868 V HA 0.486 4.621 4.120 0.026 0.000 0.302 868 V C -0.661 175.286 176.094 -0.246 0.000 1.035 868 V CA -0.902 61.119 62.300 -0.465 0.000 0.873 868 V CB 2.015 33.335 31.823 -0.838 0.000 0.992 868 V HN 0.845 nan 8.190 nan 0.000 0.428 869 D N 3.372 123.789 120.400 0.028 0.000 2.505 869 D HA 0.471 5.126 4.640 0.026 0.000 0.250 869 D C -0.976 175.457 176.300 0.222 0.000 1.164 869 D CA -0.081 54.031 54.000 0.187 0.000 0.870 869 D CB 2.608 43.534 40.800 0.209 0.000 1.160 869 D HN 0.251 nan 8.370 nan 0.000 0.549 870 V N 2.277 122.361 119.914 0.284 0.000 2.581 870 V HA 0.309 4.444 4.120 0.026 0.000 0.303 870 V C 0.183 176.431 176.094 0.256 0.000 1.041 870 V CA -0.645 61.834 62.300 0.299 0.000 0.907 870 V CB 2.394 34.429 31.823 0.353 0.000 0.994 870 V HN 0.354 nan 8.190 nan 0.000 0.442 871 E N 2.325 122.661 120.200 0.226 0.000 2.183 871 E HA 0.645 5.010 4.350 0.026 0.000 0.271 871 E C -1.532 175.185 176.600 0.195 0.000 0.919 871 E CA -0.559 55.952 56.400 0.184 0.000 0.781 871 E CB 2.480 32.273 29.700 0.155 0.000 1.140 871 E HN 0.421 nan 8.360 nan 0.000 0.402 872 V N 2.357 122.389 119.914 0.197 0.000 2.444 872 V HA 0.388 4.524 4.120 0.026 0.000 0.294 872 V C -0.020 176.170 176.094 0.161 0.000 1.022 872 V CA -0.893 61.542 62.300 0.226 0.000 0.850 872 V CB 1.489 33.478 31.823 0.277 0.000 0.992 872 V HN 0.843 nan 8.190 nan 0.000 0.426 873 A N 3.549 126.423 122.820 0.091 0.000 2.540 873 A HA 0.292 4.627 4.320 0.026 0.000 0.239 873 A C 1.680 179.340 177.584 0.126 0.000 1.061 873 A CA 0.631 52.714 52.037 0.077 0.000 0.758 873 A CB 0.275 19.287 19.000 0.020 0.000 0.991 873 A HN 1.387 nan 8.150 nan 0.000 0.502 874 S N 1.272 117.042 115.700 0.118 0.000 2.400 874 S HA -0.193 4.293 4.470 0.026 0.000 0.232 874 S C 0.963 175.647 174.600 0.139 0.000 1.025 874 S CA 1.561 59.849 58.200 0.146 0.000 0.993 874 S CB -0.353 62.909 63.200 0.104 0.000 0.808 874 S HN 0.840 nan 8.310 nan 0.000 0.478 875 D N 0.233 120.687 120.400 0.091 0.000 2.328 875 D HA 0.139 4.795 4.640 0.026 0.000 0.221 875 D C 0.496 176.830 176.300 0.058 0.000 1.072 875 D CA 0.041 54.078 54.000 0.061 0.000 0.850 875 D CB -0.369 40.454 40.800 0.039 0.000 0.922 875 D HN 0.330 nan 8.370 nan 0.000 0.516 876 T N 1.036 115.650 114.554 0.101 0.000 2.928 876 T HA 0.414 4.780 4.350 0.026 0.000 0.284 876 T C -2.615 172.194 174.700 0.181 0.000 1.008 876 T CA -1.971 60.214 62.100 0.142 0.000 1.057 876 T CB 1.189 70.161 68.868 0.174 0.000 1.018 876 T HN -0.192 nan 8.240 nan 0.000 0.493 877 P HA 0.067 nan 4.420 nan 0.000 0.265 877 P C -0.643 176.964 177.300 0.512 0.000 1.187 877 P CA 0.227 63.429 63.100 0.171 0.000 0.766 877 P CB -0.056 31.729 31.700 0.141 0.000 0.820 878 H N 3.651 123.091 119.070 0.618 0.000 2.964 878 H HA 0.098 4.669 4.556 0.025 0.000 0.328 878 H C -1.622 174.059 175.328 0.589 0.000 1.030 878 H CA -1.355 54.997 56.048 0.507 0.000 1.445 878 H CB -0.433 29.562 29.762 0.388 0.000 1.449 878 H HN 0.385 nan 8.280 nan 0.000 0.581 879 P HA 0.032 nan 4.420 nan 0.000 0.276 879 P C 0.129 177.327 177.300 -0.170 0.000 1.244 879 P CA -0.352 62.808 63.100 0.099 0.000 0.801 879 P CB 1.161 32.750 31.700 -0.184 0.000 1.006 880 A N 3.084 125.537 122.820 -0.612 0.000 1.972 880 A HA -0.102 4.233 4.320 0.026 0.000 0.219 880 A C 1.029 178.226 177.584 -0.644 0.000 1.169 880 A CA 1.372 53.001 52.037 -0.681 0.000 0.635 880 A CB -0.558 17.778 19.000 -1.106 0.000 0.810 880 A HN 0.756 nan 8.150 nan 0.000 0.446 881 R N -3.113 117.049 120.500 -0.564 0.000 2.728 881 R HA 0.731 5.086 4.340 0.026 0.000 0.274 881 R C -1.724 174.341 176.300 -0.392 0.000 1.030 881 R CA -0.825 54.968 56.100 -0.512 0.000 0.876 881 R CB 0.769 30.724 30.300 -0.575 0.000 1.259 881 R HN 0.001 nan 8.270 nan 0.000 0.468 882 I N 0.894 121.267 120.570 -0.329 0.000 2.517 882 I HA 0.638 4.824 4.170 0.026 0.000 0.280 882 I C -0.386 175.503 176.117 -0.380 0.000 1.061 882 I CA -0.276 60.853 61.300 -0.285 0.000 1.091 882 I CB 1.905 39.803 38.000 -0.170 0.000 1.205 882 I HN 0.966 nan 8.210 nan 0.000 0.459 883 G N 5.649 114.172 108.800 -0.462 0.000 2.772 883 G HA2 0.779 4.754 3.960 0.026 0.000 0.284 883 G HA3 0.779 4.754 3.960 0.026 0.000 0.284 883 G C -1.615 173.124 174.900 -0.267 0.000 1.217 883 G CA -0.547 44.322 45.100 -0.384 0.000 0.831 883 G HN 0.262 nan 8.290 nan 0.000 0.523 884 L N 0.751 121.862 121.223 -0.186 0.000 2.327 884 L HA 0.645 5.000 4.340 0.026 0.000 0.258 884 L C -0.753 176.021 176.870 -0.160 0.000 1.024 884 L CA -1.129 53.628 54.840 -0.138 0.000 0.825 884 L CB 2.564 44.624 42.059 0.002 0.000 1.386 884 L HN 0.824 nan 8.230 nan 0.000 0.417 885 N N 0.301 118.934 118.700 -0.112 0.000 2.732 885 N HA 0.729 5.484 4.740 0.026 0.000 0.259 885 N C -1.263 174.259 175.510 0.019 0.000 1.402 885 N CA -0.560 52.457 53.050 -0.056 0.000 0.829 885 N CB 2.283 40.759 38.487 -0.018 0.000 1.495 885 N HN 0.878 nan 8.380 nan 0.000 0.511 886 C N -1.865 117.474 119.300 0.064 0.000 3.303 886 C HA 0.562 5.037 4.460 0.026 0.000 0.340 886 C C -1.440 173.405 174.990 -0.242 0.000 1.274 886 C CA -0.827 58.179 59.018 -0.020 0.000 1.234 886 C CB 0.925 28.672 27.740 0.013 0.000 1.532 886 C HN 0.869 nan 8.230 nan 0.000 0.483 887 Q N 1.604 121.048 119.800 -0.594 0.000 2.394 887 Q HA 0.641 4.996 4.340 0.026 0.000 0.259 887 Q C -1.090 174.622 176.000 -0.481 0.000 1.021 887 Q CA -0.432 54.758 55.803 -1.021 0.000 0.805 887 Q CB 0.911 28.620 28.738 -1.715 0.000 1.226 887 Q HN 0.785 nan 8.270 nan 0.000 0.476 888 L N 2.512 123.558 121.223 -0.296 0.000 2.397 888 L HA 0.263 4.618 4.340 0.026 0.000 0.271 888 L C 1.269 178.075 176.870 -0.107 0.000 1.148 888 L CA -0.170 54.611 54.840 -0.098 0.000 0.825 888 L CB 0.927 43.035 42.059 0.082 0.000 1.117 888 L HN 0.813 nan 8.230 nan 0.000 0.456 889 A N 2.377 125.157 122.820 -0.066 0.000 1.969 889 A HA -0.116 4.219 4.320 0.026 0.000 0.218 889 A C 1.133 178.701 177.584 -0.027 0.000 1.169 889 A CA 0.916 52.910 52.037 -0.072 0.000 0.635 889 A CB -0.234 18.720 19.000 -0.078 0.000 0.810 889 A HN 0.809 nan 8.150 nan 0.000 0.445 890 Q N -0.502 119.317 119.800 0.031 0.000 2.260 890 Q HA 0.499 4.855 4.340 0.026 0.000 0.238 890 Q C -1.520 174.520 176.000 0.066 0.000 0.948 890 Q CA -0.330 55.485 55.803 0.021 0.000 0.895 890 Q CB 1.218 29.957 28.738 0.003 0.000 1.218 890 Q HN 0.137 nan 8.270 nan 0.000 0.470 891 V N 2.577 122.497 119.914 0.011 0.000 2.380 891 V HA 0.598 4.733 4.120 0.026 0.000 0.286 891 V C -0.584 175.481 176.094 -0.047 0.000 1.015 891 V CA -0.489 61.846 62.300 0.059 0.000 0.834 891 V CB 0.893 32.734 31.823 0.030 0.000 1.009 891 V HN 0.849 nan 8.190 nan 0.000 0.428 892 A N 3.540 126.258 122.820 -0.169 0.000 2.299 892 A HA 0.737 5.072 4.320 0.026 0.000 0.332 892 A C 0.919 178.500 177.584 -0.005 0.000 1.131 892 A CA -0.455 51.430 52.037 -0.254 0.000 0.844 892 A CB 0.920 19.538 19.000 -0.637 0.000 1.251 892 A HN 0.698 nan 8.150 nan 0.000 0.486 893 E N 0.170 120.367 120.200 -0.006 0.000 2.072 893 E HA -0.053 4.312 4.350 0.026 0.000 0.190 893 E C 0.077 176.746 176.600 0.114 0.000 0.982 893 E CA 0.857 57.289 56.400 0.053 0.000 0.803 893 E CB 0.048 29.763 29.700 0.025 0.000 0.755 893 E HN 0.412 nan 8.360 nan 0.000 0.453 894 R N 0.146 120.724 120.500 0.131 0.000 2.832 894 R HA 0.536 4.892 4.340 0.026 0.000 0.271 894 R C -0.497 175.990 176.300 0.313 0.000 0.996 894 R CA -1.004 55.209 56.100 0.188 0.000 0.977 894 R CB 1.753 32.135 30.300 0.137 0.000 1.168 894 R HN -0.187 nan 8.270 nan 0.000 0.482 895 V N 2.246 122.354 119.914 0.325 0.000 2.443 895 V HA 0.368 4.504 4.120 0.026 0.000 0.293 895 V C -0.290 176.087 176.094 0.471 0.000 1.021 895 V CA -0.924 61.603 62.300 0.378 0.000 0.848 895 V CB 1.731 33.711 31.823 0.262 0.000 0.998 895 V HN 0.625 nan 8.190 nan 0.000 0.424 896 N N 4.905 123.860 118.700 0.425 0.000 2.354 896 N HA 0.544 5.299 4.740 0.026 0.000 0.287 896 N C -1.271 174.522 175.510 0.473 0.000 1.016 896 N CA -0.424 52.857 53.050 0.385 0.000 0.871 896 N CB 2.618 41.219 38.487 0.190 0.000 1.299 896 N HN 0.805 nan 8.380 nan 0.000 0.482 897 W N 3.035 124.382 121.300 0.077 0.000 3.075 897 W HA 0.599 5.274 4.660 0.025 0.000 0.334 897 W C -2.033 174.459 176.519 -0.046 0.000 1.243 897 W CA -1.128 56.236 57.345 0.031 0.000 1.170 897 W CB 0.791 30.301 29.460 0.084 0.000 1.452 897 W HN 0.228 nan 8.180 nan 0.000 0.572 898 L N 3.578 124.809 121.223 0.013 0.000 2.318 898 L HA 0.919 5.274 4.340 0.026 0.000 0.277 898 L C -0.062 176.675 176.870 -0.221 0.000 1.008 898 L CA 0.265 54.901 54.840 -0.340 0.000 0.846 898 L CB 0.789 42.712 42.059 -0.225 0.000 1.220 898 L HN 0.989 nan 8.230 nan 0.000 0.423 899 G N 3.721 112.252 108.800 -0.447 0.000 2.348 899 G HA2 0.232 4.208 3.960 0.026 0.000 0.296 899 G HA3 0.232 4.208 3.960 0.026 0.000 0.296 899 G C -1.656 173.293 174.900 0.081 0.000 1.258 899 G CA -1.040 44.049 45.100 -0.018 0.000 0.868 899 G HN 0.439 nan 8.290 nan 0.000 0.488 900 L N 0.945 122.354 121.223 0.310 0.000 2.380 900 L HA 0.612 4.968 4.340 0.026 0.000 0.273 900 L C 1.077 178.085 176.870 0.230 0.000 1.138 900 L CA 0.730 55.713 54.840 0.237 0.000 0.832 900 L CB 0.715 42.860 42.059 0.144 0.000 1.124 900 L HN 1.134 nan 8.230 nan 0.000 0.454 901 G N 2.592 111.332 108.800 -0.101 0.000 2.428 901 G HA2 0.264 4.239 3.960 0.026 0.000 0.305 901 G HA3 0.264 4.239 3.960 0.026 0.000 0.305 901 G C -2.735 171.401 174.900 -1.274 0.000 1.260 901 G CA -0.252 44.447 45.100 -0.669 0.000 0.853 901 G HN 0.320 nan 8.290 nan 0.000 0.480 902 P HA 0.084 nan 4.420 nan 0.000 0.230 902 P C 0.479 177.579 177.300 -0.334 0.000 1.168 902 P CA 0.587 63.020 63.100 -1.112 0.000 0.793 902 P CB 0.466 31.596 31.700 -0.951 0.000 0.851 903 Q N 0.526 120.128 119.800 -0.331 0.000 2.396 903 Q HA 0.132 4.487 4.340 0.026 0.000 0.221 903 Q C 0.436 176.330 176.000 -0.177 0.000 1.025 903 Q CA -0.528 55.159 55.803 -0.193 0.000 0.946 903 Q CB 0.594 29.234 28.738 -0.164 0.000 1.224 903 Q HN 0.144 nan 8.270 nan 0.000 0.539 904 E N 1.134 121.236 120.200 -0.163 0.000 2.481 904 E HA -0.089 4.277 4.350 0.026 0.000 0.263 904 E C -1.112 175.405 176.600 -0.138 0.000 0.992 904 E CA 0.216 56.504 56.400 -0.187 0.000 0.938 904 E CB 0.310 29.965 29.700 -0.075 0.000 0.933 904 E HN 0.596 nan 8.360 nan 0.000 0.453 905 N N 2.390 120.937 118.700 -0.254 0.000 2.308 905 N HA 0.320 5.075 4.740 0.026 0.000 0.283 905 N C -1.880 173.407 175.510 -0.372 0.000 1.105 905 N CA -0.676 52.276 53.050 -0.164 0.000 0.840 905 N CB 0.742 39.151 38.487 -0.130 0.000 1.633 905 N HN 0.241 nan 8.380 nan 0.000 0.476 906 Y N -0.064 120.135 120.300 -0.168 0.000 2.598 906 Y HA 0.504 5.070 4.550 0.026 0.000 0.340 906 Y C -1.652 174.152 175.900 -0.160 0.000 1.038 906 Y CA -2.094 55.887 58.100 -0.198 0.000 1.100 906 Y CB 1.824 40.160 38.460 -0.206 0.000 1.281 906 Y HN 0.446 nan 8.280 nan 0.000 0.488 907 P HA -0.191 nan 4.420 nan 0.000 0.216 907 P C 0.465 177.573 177.300 -0.320 0.000 1.154 907 P CA 2.207 65.301 63.100 -0.011 0.000 0.865 907 P CB 0.210 32.017 31.700 0.177 0.000 0.789 908 D N -2.250 117.740 120.400 -0.683 0.000 2.342 908 D HA -0.001 4.655 4.640 0.026 0.000 0.221 908 D C 0.679 176.809 176.300 -0.284 0.000 1.101 908 D CA 0.077 53.484 54.000 -0.988 0.000 0.837 908 D CB -0.229 39.770 40.800 -1.334 0.000 0.938 908 D HN 0.126 nan 8.370 nan 0.000 0.508 909 R N 0.965 121.402 120.500 -0.106 0.000 2.684 909 R HA 0.195 4.551 4.340 0.026 0.000 0.252 909 R C -0.619 175.708 176.300 0.044 0.000 1.628 909 R CA -0.168 55.942 56.100 0.017 0.000 1.622 909 R CB 0.038 30.354 30.300 0.028 0.000 1.418 909 R HN 0.093 nan 8.270 nan 0.000 0.697 910 L N -1.774 119.484 121.223 0.058 0.000 3.386 910 L HA 0.342 4.698 4.340 0.026 0.000 0.307 910 L C 1.370 178.303 176.870 0.105 0.000 1.235 910 L CA 0.042 54.918 54.840 0.060 0.000 1.056 910 L CB 0.233 42.313 42.059 0.034 0.000 1.453 910 L HN 0.096 nan 8.230 nan 0.000 0.615 911 T N -2.506 112.143 114.554 0.158 0.000 2.867 911 T HA -0.001 4.364 4.350 0.026 0.000 0.268 911 T C 1.801 176.587 174.700 0.142 0.000 1.057 911 T CA 1.310 63.539 62.100 0.215 0.000 1.136 911 T CB -0.316 68.732 68.868 0.299 0.000 0.874 911 T HN 0.373 nan 8.240 nan 0.000 0.466 912 A N 1.662 124.571 122.820 0.147 0.000 2.066 912 A HA 0.633 4.968 4.320 0.026 0.000 0.218 912 A C 1.638 179.289 177.584 0.112 0.000 1.157 912 A CA 0.550 52.617 52.037 0.050 0.000 0.670 912 A CB -0.991 18.175 19.000 0.277 0.000 0.804 912 A HN 0.852 nan 8.150 nan 0.000 0.453 913 A N -1.107 121.740 122.820 0.045 0.000 2.425 913 A HA 0.434 4.769 4.320 0.026 0.000 0.242 913 A C 0.035 177.640 177.584 0.035 0.000 1.077 913 A CA 0.012 52.038 52.037 -0.020 0.000 0.781 913 A CB -0.133 18.846 19.000 -0.035 0.000 1.020 913 A HN 0.499 nan 8.150 nan 0.000 0.494 914 C N 0.542 119.859 119.300 0.029 0.000 2.507 914 C HA 0.524 4.999 4.460 0.026 0.000 0.319 914 C C -0.138 174.966 174.990 0.190 0.000 1.208 914 C CA -0.489 58.605 59.018 0.125 0.000 1.619 914 C CB 0.707 28.533 27.740 0.144 0.000 2.230 914 C HN 0.782 nan 8.230 nan 0.000 0.492 915 F N 3.927 123.726 119.950 -0.251 0.000 2.444 915 F HA 0.465 5.008 4.527 0.025 0.000 0.360 915 F C 0.364 175.805 175.800 -0.598 0.000 1.106 915 F CA 1.226 58.908 58.000 -0.531 0.000 1.170 915 F CB -0.095 38.121 39.000 -1.307 0.000 1.113 915 F HN 0.625 nan 8.300 nan 0.000 0.521 916 D N 3.369 123.111 120.400 -1.097 0.000 2.865 916 D HA 0.192 4.848 4.640 0.026 0.000 0.343 916 D C -1.643 173.728 176.300 -1.548 0.000 1.372 916 D CA -0.746 52.499 54.000 -1.258 0.000 0.862 916 D CB 1.517 41.462 40.800 -1.425 0.000 1.425 916 D HN 0.470 nan 8.370 nan 0.000 0.501 917 R N 0.649 120.321 120.500 -1.379 0.000 2.229 917 R HA 0.531 4.887 4.340 0.026 0.000 0.332 917 R C -1.390 174.191 176.300 -1.198 0.000 0.989 917 R CA -0.271 55.205 56.100 -1.040 0.000 0.842 917 R CB 0.327 30.271 30.300 -0.593 0.000 1.119 917 R HN 0.286 nan 8.270 nan 0.000 0.456 918 W N 2.765 123.550 121.300 -0.857 0.000 2.706 918 W HA 0.427 5.103 4.660 0.026 0.000 0.346 918 W C -0.492 175.668 176.519 -0.598 0.000 1.071 918 W CA -0.716 56.073 57.345 -0.928 0.000 1.206 918 W CB 1.770 30.210 29.460 -1.700 0.000 1.413 918 W HN 0.376 nan 8.180 nan 0.000 0.542 919 D N 2.695 123.080 120.400 -0.025 0.000 2.763 919 D HA 0.435 5.090 4.640 0.026 0.000 0.235 919 D C -1.582 174.824 176.300 0.176 0.000 1.334 919 D CA -0.180 53.893 54.000 0.122 0.000 0.950 919 D CB 1.120 41.949 40.800 0.047 0.000 1.433 919 D HN 0.393 nan 8.370 nan 0.000 0.580 920 L N 3.187 124.586 121.223 0.293 0.000 2.350 920 L HA 0.582 4.938 4.340 0.026 0.000 0.260 920 L C -2.279 174.707 176.870 0.194 0.000 1.015 920 L CA -2.168 52.810 54.840 0.229 0.000 0.821 920 L CB 2.663 44.885 42.059 0.272 0.000 1.370 920 L HN 0.187 nan 8.230 nan 0.000 0.416 921 P HA 0.042 nan 4.420 nan 0.000 0.271 921 P C 0.535 177.913 177.300 0.130 0.000 1.218 921 P CA -0.391 62.781 63.100 0.120 0.000 0.780 921 P CB 0.918 32.669 31.700 0.085 0.000 0.901 922 L N 3.393 124.699 121.223 0.139 0.000 2.089 922 L HA -0.270 4.085 4.340 0.026 0.000 0.213 922 L C 2.262 179.180 176.870 0.081 0.000 1.079 922 L CA 2.794 57.705 54.840 0.119 0.000 0.758 922 L CB -1.499 40.649 42.059 0.147 0.000 0.891 922 L HN 0.465 nan 8.230 nan 0.000 0.433 923 S N -1.679 114.072 115.700 0.084 0.000 2.400 923 S HA -0.206 4.279 4.470 0.026 0.000 0.232 923 S C 1.629 176.300 174.600 0.117 0.000 1.025 923 S CA 1.265 59.529 58.200 0.106 0.000 0.993 923 S CB -0.853 62.405 63.200 0.097 0.000 0.808 923 S HN 0.548 nan 8.310 nan 0.000 0.478 924 D N 1.103 121.550 120.400 0.078 0.000 2.371 924 D HA 0.089 4.744 4.640 0.026 0.000 0.221 924 D C 1.196 177.505 176.300 0.014 0.000 0.986 924 D CA 0.593 54.618 54.000 0.043 0.000 0.899 924 D CB -0.142 40.687 40.800 0.049 0.000 0.902 924 D HN 0.413 nan 8.370 nan 0.000 0.530 925 M N -0.422 119.195 119.600 0.028 0.000 2.494 925 M HA 0.060 4.555 4.480 0.026 0.000 0.232 925 M C -0.056 176.249 176.300 0.008 0.000 1.137 925 M CA -0.038 55.234 55.300 -0.047 0.000 1.012 925 M CB -0.712 31.840 32.600 -0.079 0.000 1.567 925 M HN -0.055 nan 8.290 nan 0.000 0.486 926 Y N 0.106 120.372 120.300 -0.056 0.000 2.364 926 Y HA 0.504 5.069 4.550 0.026 0.000 0.340 926 Y C -0.793 175.076 175.900 -0.052 0.000 0.975 926 Y CA -0.972 57.119 58.100 -0.014 0.000 1.089 926 Y CB 1.342 39.854 38.460 0.086 0.000 1.192 926 Y HN -0.141 nan 8.280 nan 0.000 0.454 927 T N 9.108 123.254 114.554 -0.681 0.000 2.756 927 T HA 0.284 4.649 4.350 0.026 0.000 0.290 927 T C -2.631 171.366 174.700 -1.171 0.000 0.985 927 T CA -1.493 60.142 62.100 -0.774 0.000 0.955 927 T CB 1.138 69.609 68.868 -0.662 0.000 0.930 927 T HN 0.468 nan 8.240 nan 0.000 0.451 928 P HA 0.089 nan 4.420 nan 0.000 0.228 928 P C -0.561 176.675 177.300 -0.107 0.000 1.748 928 P CA -0.407 62.299 63.100 -0.656 0.000 0.909 928 P CB -0.779 30.678 31.700 -0.404 0.000 1.882 929 Y N -0.355 119.939 120.300 -0.009 0.000 2.810 929 Y HA -0.124 4.441 4.550 0.026 0.000 0.332 929 Y C 2.301 178.282 175.900 0.135 0.000 1.243 929 Y CA -0.402 57.745 58.100 0.079 0.000 1.537 929 Y CB 0.391 38.787 38.460 -0.107 0.000 1.265 929 Y HN -0.092 nan 8.280 nan 0.000 0.572 930 V N 3.867 124.036 119.914 0.426 0.000 2.332 930 V HA -0.304 3.831 4.120 0.026 0.000 0.248 930 V C 0.516 176.774 176.094 0.273 0.000 1.055 930 V CA 1.466 63.976 62.300 0.351 0.000 1.038 930 V CB -0.555 31.509 31.823 0.401 0.000 0.651 930 V HN 0.587 nan 8.190 nan 0.000 0.450 931 F N 2.904 122.894 119.950 0.068 0.000 2.391 931 F HA 0.540 5.082 4.527 0.026 0.000 0.359 931 F C -2.611 173.183 175.800 -0.009 0.000 1.122 931 F CA -3.294 54.684 58.000 -0.038 0.000 1.120 931 F CB 1.018 39.867 39.000 -0.251 0.000 1.142 931 F HN -0.037 nan 8.300 nan 0.000 0.483 932 P HA 0.323 nan 4.420 nan 0.000 0.275 932 P C -1.169 175.810 177.300 -0.535 0.000 1.227 932 P CA -0.061 62.779 63.100 -0.434 0.000 0.781 932 P CB 1.472 32.965 31.700 -0.345 0.000 0.906 933 S N 0.038 115.618 115.700 -0.201 0.000 2.703 933 S HA 0.449 4.934 4.470 0.026 0.000 0.273 933 S C -0.802 173.784 174.600 -0.022 0.000 1.178 933 S CA -0.967 57.158 58.200 -0.125 0.000 0.838 933 S CB 0.386 63.541 63.200 -0.076 0.000 1.178 933 S HN 0.341 nan 8.310 nan 0.000 0.494 934 E N 1.129 121.327 120.200 -0.003 0.000 2.502 934 E HA 0.345 4.710 4.350 0.026 0.000 0.261 934 E C -0.193 176.459 176.600 0.087 0.000 0.974 934 E CA 0.750 57.180 56.400 0.050 0.000 0.936 934 E CB -0.221 29.535 29.700 0.092 0.000 0.926 934 E HN 0.796 nan 8.360 nan 0.000 0.459 935 N N 1.533 120.324 118.700 0.151 0.000 3.046 935 N HA 0.475 5.231 4.740 0.026 0.000 0.243 935 N C 0.215 175.792 175.510 0.112 0.000 1.452 935 N CA -0.532 52.647 53.050 0.215 0.000 0.882 935 N CB 0.937 39.556 38.487 0.221 0.000 1.425 935 N HN 0.746 nan 8.380 nan 0.000 0.517 936 G N -1.307 107.521 108.800 0.048 0.000 2.179 936 G HA2 -0.264 3.712 3.960 0.026 0.000 0.260 936 G HA3 -0.264 3.712 3.960 0.026 0.000 0.260 936 G C -0.193 174.459 174.900 -0.414 0.000 0.977 936 G CA 0.377 45.382 45.100 -0.158 0.000 0.641 936 G HN 0.710 nan 8.290 nan 0.000 0.533 937 L N 0.236 121.128 121.223 -0.552 0.000 2.506 937 L HA 0.635 4.990 4.340 0.026 0.000 0.281 937 L C 0.696 176.983 176.870 -0.971 0.000 1.228 937 L CA 0.514 54.783 54.840 -0.952 0.000 0.850 937 L CB 0.532 41.667 42.059 -1.540 0.000 1.110 937 L HN 0.262 nan 8.230 nan 0.000 0.496 938 R N 2.396 122.237 120.500 -1.098 0.000 2.532 938 R HA 0.481 4.836 4.340 0.026 0.000 0.297 938 R C -1.015 174.917 176.300 -0.614 0.000 0.984 938 R CA -0.268 55.300 56.100 -0.887 0.000 0.884 938 R CB 1.320 30.889 30.300 -1.218 0.000 1.182 938 R HN 0.702 nan 8.270 nan 0.000 0.442 939 C N 0.495 119.590 119.300 -0.342 0.000 2.352 939 C HA 0.685 5.161 4.460 0.026 0.000 0.387 939 C C 1.298 176.260 174.990 -0.047 0.000 1.294 939 C CA -0.081 58.819 59.018 -0.197 0.000 2.137 939 C CB 1.288 28.940 27.740 -0.146 0.000 2.146 939 C HN 1.026 nan 8.230 nan 0.000 0.559 940 G N 1.905 110.689 108.800 -0.028 0.000 2.390 940 G HA2 -0.187 3.788 3.960 0.026 0.000 0.299 940 G HA3 -0.187 3.788 3.960 0.026 0.000 0.299 940 G C -0.039 174.921 174.900 0.100 0.000 1.002 940 G CA 0.631 45.764 45.100 0.055 0.000 0.979 940 G HN 0.809 nan 8.290 nan 0.000 0.513 941 T N -0.036 114.433 114.554 -0.140 0.000 2.806 941 T HA 0.522 4.887 4.350 0.026 0.000 0.290 941 T C 1.303 175.706 174.700 -0.495 0.000 0.966 941 T CA -0.624 61.343 62.100 -0.221 0.000 1.060 941 T CB 1.486 70.246 68.868 -0.180 0.000 0.927 941 T HN 0.226 nan 8.240 nan 0.000 0.485 942 R N 1.368 121.812 120.500 -0.094 0.000 2.307 942 R HA 0.296 4.651 4.340 0.026 0.000 0.200 942 R C 0.491 176.868 176.300 0.127 0.000 0.893 942 R CA 0.177 56.294 56.100 0.029 0.000 1.042 942 R CB 0.406 30.841 30.300 0.225 0.000 1.059 942 R HN 0.698 nan 8.270 nan 0.000 0.530 943 E N 0.524 120.795 120.200 0.119 0.000 2.321 943 E HA 0.369 4.734 4.350 0.026 0.000 0.278 943 E C -1.833 174.923 176.600 0.259 0.000 0.902 943 E CA -0.714 55.827 56.400 0.235 0.000 0.758 943 E CB 1.559 31.359 29.700 0.166 0.000 1.213 943 E HN -0.096 nan 8.360 nan 0.000 0.426 944 L N 4.031 125.458 121.223 0.339 0.000 2.410 944 L HA 0.584 4.940 4.340 0.026 0.000 0.270 944 L C -1.869 175.195 176.870 0.325 0.000 0.983 944 L CA -0.394 54.575 54.840 0.214 0.000 0.822 944 L CB 1.825 43.856 42.059 -0.046 0.000 1.285 944 L HN 0.491 nan 8.230 nan 0.000 0.409 945 N N 4.351 123.219 118.700 0.280 0.000 2.314 945 N HA 0.460 5.215 4.740 0.026 0.000 0.294 945 N C -2.010 173.741 175.510 0.401 0.000 1.029 945 N CA -0.295 52.930 53.050 0.291 0.000 0.845 945 N CB 2.378 40.975 38.487 0.184 0.000 1.321 945 N HN 0.620 nan 8.380 nan 0.000 0.481 946 Y N 0.904 121.360 120.300 0.261 0.000 2.348 946 Y HA 0.379 4.945 4.550 0.026 0.000 0.321 946 Y C 0.510 176.526 175.900 0.193 0.000 1.163 946 Y CA 0.224 58.469 58.100 0.241 0.000 1.070 946 Y CB 0.613 39.266 38.460 0.321 0.000 1.250 946 Y HN 0.852 nan 8.280 nan 0.000 0.425 947 G N 6.386 115.022 108.800 -0.273 0.000 2.583 947 G HA2 -0.296 3.679 3.960 0.026 0.000 0.292 947 G HA3 -0.296 3.679 3.960 0.026 0.000 0.292 947 G C -1.759 173.030 174.900 -0.186 0.000 1.203 947 G CA 0.122 45.050 45.100 -0.286 0.000 0.987 947 G HN 0.612 nan 8.290 nan 0.000 0.554 948 P HA 0.139 nan 4.420 nan 0.000 0.245 948 P C 0.242 177.316 177.300 -0.377 0.000 1.206 948 P CA 0.719 63.614 63.100 -0.342 0.000 0.781 948 P CB 0.024 31.446 31.700 -0.463 0.000 0.994 949 H N 0.633 119.632 119.070 -0.119 0.000 2.525 949 H HA 0.412 4.983 4.556 0.026 0.000 0.339 949 H C 0.023 175.083 175.328 -0.447 0.000 1.109 949 H CA 0.133 55.964 56.048 -0.361 0.000 1.352 949 H CB 1.407 30.735 29.762 -0.725 0.000 1.461 949 H HN 0.112 nan 8.280 nan 0.000 0.533 950 Q N 3.063 122.622 119.800 -0.401 0.000 2.323 950 Q HA 0.254 4.610 4.340 0.026 0.000 0.271 950 Q C -1.583 174.232 176.000 -0.309 0.000 1.048 950 Q CA -0.708 54.986 55.803 -0.182 0.000 0.792 950 Q CB 1.970 30.703 28.738 -0.008 0.000 1.280 950 Q HN 0.585 nan 8.270 nan 0.000 0.441 951 W N 3.744 125.010 121.300 -0.056 0.000 2.702 951 W HA 0.580 5.255 4.660 0.026 0.000 0.331 951 W C -0.219 176.364 176.519 0.108 0.000 1.049 951 W CA -0.790 56.478 57.345 -0.127 0.000 1.230 951 W CB 2.061 31.230 29.460 -0.486 0.000 1.408 951 W HN 0.533 nan 8.180 nan 0.000 0.492 952 R N 0.514 121.231 120.500 0.361 0.000 2.803 952 R HA 0.799 5.155 4.340 0.026 0.000 0.276 952 R C 0.220 176.799 176.300 0.463 0.000 0.978 952 R CA -0.354 55.991 56.100 0.408 0.000 0.939 952 R CB 2.353 32.808 30.300 0.258 0.000 1.179 952 R HN 0.758 nan 8.270 nan 0.000 0.472 953 G N 0.608 109.699 108.800 0.485 0.000 2.534 953 G HA2 -0.022 3.954 3.960 0.026 0.000 0.142 953 G HA3 -0.022 3.954 3.960 0.026 0.000 0.142 953 G C -1.749 173.332 174.900 0.302 0.000 1.178 953 G CA -0.398 44.955 45.100 0.422 0.000 1.037 953 G HN 0.497 nan 8.290 nan 0.000 0.474 954 D N 0.195 120.777 120.400 0.303 0.000 2.429 954 D HA 0.590 5.246 4.640 0.026 0.000 0.255 954 D C -0.638 175.709 176.300 0.078 0.000 1.257 954 D CA -0.451 53.604 54.000 0.092 0.000 0.890 954 D CB 0.079 40.942 40.800 0.105 0.000 1.267 954 D HN 0.548 nan 8.370 nan 0.000 0.521 955 F N -0.436 119.513 119.950 -0.001 0.000 2.824 955 F HA 0.717 5.259 4.527 0.026 0.000 0.330 955 F C -1.026 174.737 175.800 -0.062 0.000 1.175 955 F CA -1.035 56.903 58.000 -0.104 0.000 0.974 955 F CB 0.760 39.702 39.000 -0.098 0.000 1.430 955 F HN -0.193 nan 8.300 nan 0.000 0.507 956 Q N 1.594 121.468 119.800 0.123 0.000 2.345 956 Q HA 0.625 4.981 4.340 0.026 0.000 0.268 956 Q C -1.299 174.786 176.000 0.141 0.000 1.054 956 Q CA -0.503 55.287 55.803 -0.022 0.000 0.835 956 Q CB 2.685 31.305 28.738 -0.196 0.000 1.339 956 Q HN 0.861 nan 8.270 nan 0.000 0.447 957 F N -0.956 118.881 119.950 -0.189 0.000 2.686 957 F HA 0.754 5.297 4.527 0.026 0.000 0.311 957 F C -1.551 174.036 175.800 -0.356 0.000 1.128 957 F CA -1.092 56.761 58.000 -0.245 0.000 0.946 957 F CB 1.605 40.490 39.000 -0.192 0.000 1.336 957 F HN 0.570 nan 8.300 nan 0.000 0.457 958 N N 1.446 119.997 118.700 -0.248 0.000 2.284 958 N HA 0.732 5.488 4.740 0.026 0.000 0.289 958 N C -2.095 173.364 175.510 -0.085 0.000 1.179 958 N CA -0.751 52.124 53.050 -0.292 0.000 0.774 958 N CB 2.639 40.960 38.487 -0.276 0.000 1.548 958 N HN 1.124 nan 8.380 nan 0.000 0.473 959 I N 0.451 120.955 120.570 -0.109 0.000 2.649 959 I HA 0.655 4.840 4.170 0.026 0.000 0.289 959 I C -1.468 174.566 176.117 -0.139 0.000 1.222 959 I CA 0.077 61.280 61.300 -0.161 0.000 1.046 959 I CB 1.265 39.098 38.000 -0.278 0.000 1.272 959 I HN 1.050 nan 8.210 nan 0.000 0.425 960 S N 6.182 121.812 115.700 -0.116 0.000 2.655 960 S HA 0.521 5.006 4.470 0.026 0.000 0.266 960 S C -0.230 174.262 174.600 -0.180 0.000 1.149 960 S CA -0.988 57.130 58.200 -0.136 0.000 0.818 960 S CB 1.746 64.920 63.200 -0.042 0.000 1.130 960 S HN 0.616 nan 8.310 nan 0.000 0.476 961 R N -0.136 120.082 120.500 -0.471 0.000 2.356 961 R HA 0.251 4.607 4.340 0.026 0.000 0.234 961 R C -0.883 175.131 176.300 -0.477 0.000 0.929 961 R CA 0.281 56.110 56.100 -0.452 0.000 1.084 961 R CB -0.880 29.031 30.300 -0.647 0.000 1.105 961 R HN 0.658 nan 8.270 nan 0.000 0.515 962 Y N 0.231 120.502 120.300 -0.047 0.000 2.341 962 Y HA 0.209 4.774 4.550 0.026 0.000 0.338 962 Y C 0.823 176.527 175.900 -0.327 0.000 0.965 962 Y CA -1.073 56.917 58.100 -0.182 0.000 1.108 962 Y CB 1.405 39.695 38.460 -0.283 0.000 1.180 962 Y HN -0.094 nan 8.280 nan 0.000 0.458 963 S N 1.400 116.774 115.700 -0.542 0.000 2.614 963 S HA 0.070 4.555 4.470 0.026 0.000 0.265 963 S C 0.886 175.146 174.600 -0.567 0.000 1.303 963 S CA -0.768 56.721 58.200 -1.185 0.000 1.000 963 S CB 1.118 63.347 63.200 -1.617 0.000 0.935 963 S HN 0.713 nan 8.310 nan 0.000 0.551 964 Q N 0.468 119.949 119.800 -0.533 0.000 2.124 964 Q HA -0.169 4.186 4.340 0.026 0.000 0.202 964 Q C 2.207 178.057 176.000 -0.251 0.000 0.977 964 Q CA 1.656 57.288 55.803 -0.284 0.000 0.850 964 Q CB -0.572 28.032 28.738 -0.223 0.000 0.901 964 Q HN 0.939 nan 8.270 nan 0.000 0.429 965 Q N 0.499 120.112 119.800 -0.313 0.000 2.084 965 Q HA -0.215 4.141 4.340 0.026 0.000 0.202 965 Q C 2.110 177.998 176.000 -0.187 0.000 0.978 965 Q CA 1.456 57.136 55.803 -0.206 0.000 0.844 965 Q CB 0.068 28.694 28.738 -0.187 0.000 0.898 965 Q HN 0.406 nan 8.270 nan 0.000 0.426 966 Q N 0.035 119.697 119.800 -0.229 0.000 2.050 966 Q HA -0.175 4.181 4.340 0.026 0.000 0.202 966 Q C 2.203 178.075 176.000 -0.214 0.000 0.980 966 Q CA 1.373 57.053 55.803 -0.204 0.000 0.840 966 Q CB -0.085 28.510 28.738 -0.239 0.000 0.898 966 Q HN 0.457 nan 8.270 nan 0.000 0.424 967 L N 0.534 121.624 121.223 -0.221 0.000 2.042 967 L HA -0.233 4.122 4.340 0.026 0.000 0.210 967 L C 2.685 179.424 176.870 -0.218 0.000 1.076 967 L CA 1.546 56.252 54.840 -0.224 0.000 0.749 967 L CB -0.530 41.430 42.059 -0.165 0.000 0.893 967 L HN 0.459 nan 8.230 nan 0.000 0.432 968 M N -1.698 117.803 119.600 -0.166 0.000 2.374 968 M HA -0.112 4.383 4.480 0.026 0.000 0.264 968 M C 1.371 177.597 176.300 -0.124 0.000 1.067 968 M CA 1.638 56.857 55.300 -0.135 0.000 1.103 968 M CB -0.499 32.024 32.600 -0.128 0.000 1.402 968 M HN 0.145 nan 8.290 nan 0.000 0.444 969 E N 0.751 120.873 120.200 -0.129 0.000 2.474 969 E HA 0.107 4.473 4.350 0.026 0.000 0.194 969 E C -0.281 176.267 176.600 -0.086 0.000 1.041 969 E CA 0.153 56.499 56.400 -0.089 0.000 0.874 969 E CB 0.522 30.178 29.700 -0.074 0.000 0.914 969 E HN 0.375 nan 8.360 nan 0.000 0.498 970 T N 0.279 114.746 114.554 -0.145 0.000 2.779 970 T HA 0.102 4.468 4.350 0.026 0.000 0.280 970 T C 1.023 175.630 174.700 -0.155 0.000 0.987 970 T CA -0.455 61.560 62.100 -0.142 0.000 0.966 970 T CB 1.664 70.407 68.868 -0.207 0.000 0.933 970 T HN 0.032 nan 8.240 nan 0.000 0.442 971 S N 1.992 117.707 115.700 0.025 0.000 2.478 971 S HA 0.080 4.565 4.470 0.026 0.000 0.222 971 S C 0.271 174.960 174.600 0.147 0.000 1.008 971 S CA 0.278 58.592 58.200 0.191 0.000 0.928 971 S CB -0.193 63.257 63.200 0.415 0.000 0.781 971 S HN 0.735 nan 8.310 nan 0.000 0.518 972 H N 0.668 119.759 119.070 0.035 0.000 2.759 972 H HA 0.486 5.058 4.556 0.026 0.000 0.354 972 H C 0.922 176.230 175.328 -0.033 0.000 1.074 972 H CA -0.795 55.324 56.048 0.118 0.000 1.226 972 H CB 1.509 31.349 29.762 0.130 0.000 1.648 972 H HN 0.127 nan 8.280 nan 0.000 0.529 973 R N 1.982 122.582 120.500 0.166 0.000 2.127 973 R HA -0.193 4.162 4.340 0.026 0.000 0.238 973 R C 1.267 177.578 176.300 0.018 0.000 1.134 973 R CA 1.917 58.053 56.100 0.060 0.000 0.975 973 R CB -0.477 29.905 30.300 0.136 0.000 0.865 973 R HN 0.772 nan 8.270 nan 0.000 0.447 974 H N 1.348 120.428 119.070 0.018 0.000 2.521 974 H HA 0.002 4.574 4.556 0.025 0.000 0.286 974 H C 1.413 176.665 175.328 -0.127 0.000 1.034 974 H CA 0.912 56.928 56.048 -0.053 0.000 1.278 974 H CB -0.156 29.569 29.762 -0.062 0.000 1.386 974 H HN 0.334 nan 8.280 nan 0.000 0.567 975 L N 0.898 121.729 121.223 -0.653 0.000 2.607 975 L HA 0.237 4.592 4.340 0.026 0.000 0.228 975 L C 0.586 177.305 176.870 -0.252 0.000 1.123 975 L CA -0.205 54.331 54.840 -0.506 0.000 0.890 975 L CB 0.120 41.850 42.059 -0.548 0.000 1.103 975 L HN 0.019 nan 8.230 nan 0.000 0.468 976 L N 0.891 121.959 121.223 -0.259 0.000 2.452 976 L HA 0.181 4.536 4.340 0.026 0.000 0.267 976 L C 0.192 177.002 176.870 -0.099 0.000 1.188 976 L CA -0.080 54.572 54.840 -0.313 0.000 0.821 976 L CB 0.395 42.044 42.059 -0.684 0.000 1.102 976 L HN 0.209 nan 8.230 nan 0.000 0.470 977 H N 1.432 120.514 119.070 0.020 0.000 2.759 977 H HA 0.599 5.170 4.556 0.026 0.000 0.354 977 H C -0.928 174.519 175.328 0.199 0.000 1.074 977 H CA -1.226 54.877 56.048 0.091 0.000 1.226 977 H CB 1.293 31.066 29.762 0.017 0.000 1.648 977 H HN 0.682 nan 8.280 nan 0.000 0.529 978 A N 3.584 126.533 122.820 0.215 0.000 2.511 978 A HA 0.130 4.465 4.320 0.026 0.000 0.242 978 A C 0.298 177.960 177.584 0.131 0.000 1.069 978 A CA -0.211 51.823 52.037 -0.006 0.000 0.763 978 A CB 0.063 19.018 19.000 -0.076 0.000 1.001 978 A HN 0.841 nan 8.150 nan 0.000 0.498 979 E N 0.863 121.101 120.200 0.065 0.000 2.280 979 E HA 0.232 4.597 4.350 0.026 0.000 0.261 979 E C -0.148 176.496 176.600 0.072 0.000 1.088 979 E CA -0.752 55.752 56.400 0.173 0.000 0.915 979 E CB 0.803 30.682 29.700 0.299 0.000 1.141 979 E HN 0.781 nan 8.360 nan 0.000 0.433 980 E N 0.420 120.656 120.200 0.059 0.000 2.384 980 E HA 0.199 4.564 4.350 0.026 0.000 0.266 980 E C 0.288 176.844 176.600 -0.074 0.000 1.012 980 E CA 0.629 57.023 56.400 -0.010 0.000 0.901 980 E CB 0.360 30.050 29.700 -0.017 0.000 0.967 980 E HN 0.677 nan 8.360 nan 0.000 0.435 981 G N 2.887 111.645 108.800 -0.070 0.000 2.642 981 G HA2 -0.219 3.756 3.960 0.026 0.000 0.231 981 G HA3 -0.219 3.756 3.960 0.026 0.000 0.231 981 G C -0.662 174.171 174.900 -0.112 0.000 1.338 981 G CA -0.180 44.857 45.100 -0.105 0.000 0.883 981 G HN 0.609 nan 8.290 nan 0.000 0.570 982 T N 0.277 114.740 114.554 -0.151 0.000 2.881 982 T HA 0.494 4.860 4.350 0.026 0.000 0.291 982 T C -0.785 173.766 174.700 -0.248 0.000 0.990 982 T CA -0.166 61.861 62.100 -0.121 0.000 0.976 982 T CB 1.222 70.117 68.868 0.045 0.000 0.970 982 T HN 0.571 nan 8.240 nan 0.000 0.438 983 W N 3.527 124.740 121.300 -0.145 0.000 2.335 983 W HA 0.573 5.248 4.660 0.026 0.000 0.306 983 W C -0.256 176.137 176.519 -0.212 0.000 1.216 983 W CA -0.722 56.533 57.345 -0.150 0.000 1.237 983 W CB 0.683 30.065 29.460 -0.130 0.000 1.243 983 W HN 0.340 nan 8.180 nan 0.000 0.493 984 L N 5.845 127.065 121.223 -0.005 0.000 2.333 984 L HA 0.499 4.854 4.340 0.026 0.000 0.280 984 L C -0.944 175.830 176.870 -0.159 0.000 1.004 984 L CA -0.746 53.968 54.840 -0.209 0.000 0.820 984 L CB 0.805 42.607 42.059 -0.428 0.000 1.247 984 L HN 0.319 nan 8.230 nan 0.000 0.416 985 N N 6.935 125.533 118.700 -0.169 0.000 2.446 985 N HA 0.460 5.216 4.740 0.026 0.000 0.265 985 N C -1.138 174.240 175.510 -0.221 0.000 0.975 985 N CA -0.249 52.702 53.050 -0.165 0.000 0.928 985 N CB 2.188 40.604 38.487 -0.118 0.000 1.160 985 N HN 0.561 nan 8.380 nan 0.000 0.495 986 I N 1.900 122.295 120.570 -0.291 0.000 2.382 986 I HA 0.247 4.433 4.170 0.026 0.000 0.286 986 I C -0.623 175.328 176.117 -0.277 0.000 1.002 986 I CA -0.587 60.515 61.300 -0.329 0.000 1.135 986 I CB 1.609 39.253 38.000 -0.593 0.000 1.288 986 I HN 0.168 nan 8.210 nan 0.000 0.448 987 D N 4.331 124.606 120.400 -0.209 0.000 2.248 987 D HA 0.296 4.952 4.640 0.026 0.000 0.246 987 D C 0.934 176.955 176.300 -0.465 0.000 1.027 987 D CA -0.260 53.544 54.000 -0.327 0.000 0.853 987 D CB 2.555 43.259 40.800 -0.161 0.000 1.243 987 D HN 0.686 nan 8.370 nan 0.000 0.462 988 G N 0.912 109.129 108.800 -0.972 0.000 2.408 988 G HA2 0.003 3.978 3.960 0.026 0.000 0.215 988 G HA3 0.003 3.978 3.960 0.026 0.000 0.215 988 G C 0.084 174.211 174.900 -1.289 0.000 1.156 988 G CA 0.608 44.977 45.100 -1.218 0.000 0.793 988 G HN 0.375 nan 8.290 nan 0.000 0.535 989 F N -2.307 117.453 119.950 -0.318 0.000 2.631 989 F HA 0.629 5.172 4.527 0.025 0.000 0.308 989 F C -0.523 175.189 175.800 -0.147 0.000 1.097 989 F CA -1.168 56.731 58.000 -0.167 0.000 0.952 989 F CB 2.116 40.966 39.000 -0.250 0.000 1.307 989 F HN 0.050 nan 8.300 nan 0.000 0.450 990 H N 1.231 120.322 119.070 0.036 0.000 2.974 990 H HA 0.529 5.100 4.556 0.025 0.000 0.366 990 H C -0.984 174.367 175.328 0.040 0.000 1.155 990 H CA -0.897 55.137 56.048 -0.023 0.000 1.186 990 H CB 1.931 31.664 29.762 -0.049 0.000 1.799 990 H HN 0.776 nan 8.280 nan 0.000 0.541 991 M N 3.152 122.731 119.600 -0.034 0.000 2.243 991 M HA 0.293 4.788 4.480 0.026 0.000 0.341 991 M C 0.484 176.900 176.300 0.192 0.000 1.130 991 M CA 0.289 55.620 55.300 0.052 0.000 1.162 991 M CB 0.374 32.903 32.600 -0.119 0.000 1.497 991 M HN 0.832 nan 8.290 nan 0.000 0.456 992 G N 3.073 111.959 108.800 0.144 0.000 2.664 992 G HA2 0.264 4.239 3.960 0.026 0.000 0.242 992 G HA3 0.264 4.239 3.960 0.026 0.000 0.242 992 G C 0.621 175.497 174.900 -0.040 0.000 1.225 992 G CA -0.422 44.689 45.100 0.018 0.000 0.849 992 G HN 0.984 nan 8.290 nan 0.000 0.581 993 I N -1.343 119.153 120.570 -0.122 0.000 3.645 993 I HA 0.399 4.585 4.170 0.026 0.000 0.300 993 I C 1.205 177.249 176.117 -0.122 0.000 1.260 993 I CA 0.453 61.646 61.300 -0.177 0.000 1.365 993 I CB -0.591 37.199 38.000 -0.350 0.000 1.077 993 I HN 0.934 nan 8.210 nan 0.000 0.439 994 G N 1.572 110.326 108.800 -0.077 0.000 2.645 994 G HA2 0.030 4.006 3.960 0.026 0.000 0.239 994 G HA3 0.030 4.006 3.960 0.026 0.000 0.239 994 G C 0.559 175.456 174.900 -0.006 0.000 1.331 994 G CA 0.093 45.187 45.100 -0.010 0.000 0.890 994 G HN 1.360 nan 8.290 nan 0.000 0.572 995 G N -2.353 106.459 108.800 0.020 0.000 2.370 995 G HA2 -0.005 3.970 3.960 0.026 0.000 0.174 995 G HA3 -0.005 3.970 3.960 0.026 0.000 0.174 995 G C 0.682 175.641 174.900 0.098 0.000 1.002 995 G CA 0.891 46.015 45.100 0.039 0.000 0.730 995 G HN 1.008 nan 8.290 nan 0.000 0.497 996 D N 1.289 121.767 120.400 0.129 0.000 2.172 996 D HA 0.067 4.722 4.640 0.026 0.000 0.196 996 D C 1.079 177.417 176.300 0.063 0.000 0.999 996 D CA 2.166 56.301 54.000 0.226 0.000 0.856 996 D CB 0.111 41.041 40.800 0.216 0.000 0.934 996 D HN 0.820 nan 8.370 nan 0.000 0.453 997 D N -3.520 116.712 120.400 -0.279 0.000 2.643 997 D HA 0.353 5.008 4.640 0.026 0.000 0.283 997 D C -0.689 175.144 176.300 -0.778 0.000 1.242 997 D CA -0.716 52.701 54.000 -0.971 0.000 0.863 997 D CB 0.934 40.532 40.800 -2.003 0.000 1.382 997 D HN -0.297 nan 8.370 nan 0.000 0.444 998 S N -0.809 114.268 115.700 -1.038 0.000 2.664 998 S HA 0.224 4.709 4.470 0.026 0.000 0.245 998 S C -0.530 174.109 174.600 0.065 0.000 1.019 998 S CA -0.673 57.410 58.200 -0.195 0.000 0.996 998 S CB -0.466 62.895 63.200 0.268 0.000 0.878 998 S HN 0.614 nan 8.310 nan 0.000 0.493 999 W N 1.291 122.532 121.300 -0.098 0.000 2.252 999 W HA 0.576 5.251 4.660 0.024 0.000 0.338 999 W C 0.071 176.539 176.519 -0.086 0.000 0.914 999 W CA -0.542 56.742 57.345 -0.101 0.000 1.754 999 W CB -0.552 28.761 29.460 -0.246 0.000 1.135 999 W HN 0.167 nan 8.180 nan 0.000 0.531 1000 S N -1.455 114.146 115.700 -0.165 0.000 2.643 1000 S HA 0.646 5.131 4.470 0.026 0.000 0.270 1000 S C -3.197 171.348 174.600 -0.091 0.000 1.166 1000 S CA -1.601 56.538 58.200 -0.102 0.000 0.815 1000 S CB 1.544 64.689 63.200 -0.093 0.000 1.139 1000 S HN -0.243 nan 8.310 nan 0.000 0.472 1001 P HA 0.263 nan 4.420 nan 0.000 0.266 1001 P C 0.199 177.546 177.300 0.078 0.000 1.215 1001 P CA -0.074 63.041 63.100 0.024 0.000 0.763 1001 P CB 0.799 32.432 31.700 -0.112 0.000 0.806 1002 S N 0.879 116.664 115.700 0.142 0.000 2.819 1002 S HA 0.172 4.657 4.470 0.026 0.000 0.249 1002 S C 0.145 174.830 174.600 0.142 0.000 1.030 1002 S CA -0.327 57.927 58.200 0.090 0.000 1.052 1002 S CB -0.246 62.953 63.200 -0.001 0.000 1.017 1002 S HN 0.097 nan 8.310 nan 0.000 0.576 1003 V N 2.469 122.516 119.914 0.222 0.000 2.432 1003 V HA 0.457 4.593 4.120 0.026 0.000 0.275 1003 V C 0.714 176.958 176.094 0.250 0.000 1.043 1003 V CA -0.482 61.930 62.300 0.187 0.000 0.925 1003 V CB 1.212 33.068 31.823 0.056 0.000 0.985 1003 V HN 0.475 nan 8.190 nan 0.000 0.466 1004 S N 3.591 119.448 115.700 0.262 0.000 2.572 1004 S HA 0.321 4.806 4.470 0.026 0.000 0.279 1004 S C 1.551 176.280 174.600 0.215 0.000 1.341 1004 S CA 0.100 58.441 58.200 0.234 0.000 1.043 1004 S CB 1.174 64.535 63.200 0.268 0.000 0.887 1004 S HN 1.008 nan 8.310 nan 0.000 0.516 1005 A N 3.451 126.358 122.820 0.146 0.000 1.986 1005 A HA -0.156 4.179 4.320 0.026 0.000 0.220 1005 A C 2.009 179.615 177.584 0.038 0.000 1.171 1005 A CA 1.890 54.001 52.037 0.123 0.000 0.640 1005 A CB -0.626 18.427 19.000 0.088 0.000 0.811 1005 A HN 0.949 nan 8.150 nan 0.000 0.451 1006 E N -0.911 119.240 120.200 -0.083 0.000 2.418 1006 E HA -0.109 4.257 4.350 0.026 0.000 0.197 1006 E C 0.835 177.182 176.600 -0.420 0.000 1.026 1006 E CA 0.708 56.938 56.400 -0.283 0.000 0.862 1006 E CB -0.467 28.965 29.700 -0.447 0.000 0.799 1006 E HN 0.694 nan 8.360 nan 0.000 0.518 1007 F N 1.167 121.166 119.950 0.082 0.000 2.653 1007 F HA 0.257 4.799 4.527 0.025 0.000 0.304 1007 F C 0.843 176.679 175.800 0.060 0.000 1.092 1007 F CA -0.531 57.517 58.000 0.081 0.000 1.279 1007 F CB 0.549 39.595 39.000 0.077 0.000 1.044 1007 F HN -0.184 nan 8.300 nan 0.000 0.564 1008 Q N 1.124 121.029 119.800 0.175 0.000 2.230 1008 Q HA 0.394 4.750 4.340 0.026 0.000 0.248 1008 Q C -0.214 175.828 176.000 0.071 0.000 0.915 1008 Q CA -0.461 55.427 55.803 0.142 0.000 0.900 1008 Q CB 1.769 30.685 28.738 0.297 0.000 1.229 1008 Q HN 0.249 nan 8.270 nan 0.000 0.439 1009 L N 2.449 123.702 121.223 0.049 0.000 2.422 1009 L HA 0.139 4.494 4.340 0.026 0.000 0.256 1009 L C 0.479 177.329 176.870 -0.033 0.000 1.202 1009 L CA -0.079 54.774 54.840 0.023 0.000 1.119 1009 L CB -0.250 41.698 42.059 -0.185 0.000 1.383 1009 L HN 0.711 nan 8.230 nan 0.000 0.411 1010 S N -1.215 114.353 115.700 -0.220 0.000 2.554 1010 S HA 0.136 4.621 4.470 0.026 0.000 0.226 1010 S C 1.663 176.171 174.600 -0.152 0.000 0.980 1010 S CA 0.176 58.046 58.200 -0.551 0.000 0.939 1010 S CB 0.722 63.469 63.200 -0.756 0.000 0.832 1010 S HN 0.515 nan 8.310 nan 0.000 0.486 1011 A N 1.531 124.309 122.820 -0.070 0.000 2.125 1011 A HA 0.422 4.757 4.320 0.026 0.000 0.219 1011 A C 2.122 179.560 177.584 -0.242 0.000 1.156 1011 A CA 1.285 53.146 52.037 -0.293 0.000 0.671 1011 A CB -1.275 17.299 19.000 -0.710 0.000 0.794 1011 A HN 1.439 nan 8.150 nan 0.000 0.459 1012 G N -1.292 107.483 108.800 -0.042 0.000 2.640 1012 G HA2 -0.302 3.673 3.960 0.026 0.000 0.226 1012 G HA3 -0.302 3.673 3.960 0.026 0.000 0.226 1012 G C 0.471 175.379 174.900 0.013 0.000 1.222 1012 G CA 0.431 45.546 45.100 0.026 0.000 0.729 1012 G HN 0.683 nan 8.290 nan 0.000 0.516 1013 R N -0.277 120.107 120.500 -0.193 0.000 2.480 1013 R HA 0.671 5.027 4.340 0.026 0.000 0.306 1013 R C -1.509 174.563 176.300 -0.380 0.000 0.958 1013 R CA -0.549 55.474 56.100 -0.128 0.000 0.861 1013 R CB 1.418 31.674 30.300 -0.072 0.000 1.171 1013 R HN 0.272 nan 8.270 nan 0.000 0.445 1014 Y N 0.445 120.744 120.300 -0.003 0.000 2.499 1014 Y HA 0.359 4.924 4.550 0.025 0.000 0.347 1014 Y C -0.320 175.735 175.900 0.258 0.000 0.987 1014 Y CA -0.818 57.253 58.100 -0.049 0.000 1.044 1014 Y CB 2.129 40.415 38.460 -0.290 0.000 1.245 1014 Y HN 0.570 nan 8.280 nan 0.000 0.461 1015 H N 2.555 121.899 119.070 0.457 0.000 2.679 1015 H HA 0.597 5.168 4.556 0.025 0.000 0.360 1015 H C -1.732 173.989 175.328 0.653 0.000 1.105 1015 H CA -0.930 55.376 56.048 0.430 0.000 1.196 1015 H CB 1.224 31.130 29.762 0.240 0.000 1.636 1015 H HN 0.580 nan 8.280 nan 0.000 0.531 1016 Y N 1.373 121.539 120.300 -0.224 0.000 2.625 1016 Y HA 0.576 5.141 4.550 0.026 0.000 0.338 1016 Y C -1.667 174.050 175.900 -0.305 0.000 1.123 1016 Y CA -1.056 56.955 58.100 -0.148 0.000 1.046 1016 Y CB 1.668 40.124 38.460 -0.007 0.000 1.299 1016 Y HN 0.700 nan 8.280 nan 0.000 0.464 1017 Q N 1.780 121.560 119.800 -0.034 0.000 2.315 1017 Q HA 0.716 5.071 4.340 0.026 0.000 0.273 1017 Q C -2.119 173.941 176.000 0.100 0.000 1.053 1017 Q CA -0.720 55.043 55.803 -0.066 0.000 0.817 1017 Q CB 2.755 31.510 28.738 0.028 0.000 1.326 1017 Q HN 0.832 nan 8.270 nan 0.000 0.423 1018 L N 2.016 123.282 121.223 0.073 0.000 2.370 1018 L HA 0.757 5.112 4.340 0.026 0.000 0.266 1018 L C -1.042 175.926 176.870 0.164 0.000 1.002 1018 L CA -1.133 53.786 54.840 0.133 0.000 0.818 1018 L CB 2.346 44.464 42.059 0.098 0.000 1.325 1018 L HN 0.320 nan 8.230 nan 0.000 0.418 1019 V N 0.745 120.784 119.914 0.208 0.000 2.487 1019 V HA 0.405 4.540 4.120 0.026 0.000 0.298 1019 V C -1.237 175.029 176.094 0.285 0.000 1.028 1019 V CA -0.456 61.981 62.300 0.227 0.000 0.860 1019 V CB 2.019 33.954 31.823 0.186 0.000 0.991 1019 V HN 0.608 nan 8.190 nan 0.000 0.427 1020 W N 6.820 128.174 121.300 0.090 0.000 2.475 1020 W HA 0.733 5.408 4.660 0.026 0.000 0.317 1020 W C -0.225 176.294 176.519 0.000 0.000 1.046 1020 W CA -1.113 56.212 57.345 -0.033 0.000 1.215 1020 W CB 1.488 30.983 29.460 0.058 0.000 1.335 1020 W HN 0.904 nan 8.180 nan 0.000 0.471 1021 C N 3.834 123.372 119.300 0.397 0.000 3.335 1021 C HA 0.532 5.007 4.460 0.026 0.000 0.356 1021 C C 0.858 175.953 174.990 0.174 0.000 1.570 1021 C CA -0.595 58.577 59.018 0.256 0.000 1.271 1021 C CB 1.430 29.273 27.740 0.171 0.000 1.873 1021 C HN 0.756 nan 8.230 nan 0.000 0.439 1022 Q N 0.972 120.829 119.800 0.094 0.000 1.944 1022 Q HA 0.350 4.705 4.340 0.026 0.000 0.734 1022 Q C -0.051 175.938 176.000 -0.019 0.000 0.975 1022 Q CA 0.618 56.424 55.803 0.006 0.000 0.728 1022 Q CB 0.095 28.826 28.738 -0.012 0.000 3.333 1022 Q HN 0.664 nan 8.270 nan 0.000 0.236 1023 K N 0.000 120.387 120.400 -0.021 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.026 0.000 0.191 1023 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 1023 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543