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 3dyp_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETNGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.086 176.300 -0.356 0.000 0.893 13 R CA 0.000 55.969 56.100 -0.218 0.000 0.921 13 R CB 0.000 30.168 30.300 -0.220 0.000 0.687 14 R N 1.473 121.629 120.500 -0.573 0.000 3.657 14 R HA 0.107 4.455 4.340 0.013 0.000 0.220 14 R C -0.179 175.539 176.300 -0.969 0.000 1.548 14 R CA -0.264 55.042 56.100 -1.323 0.000 1.465 14 R CB 0.095 29.808 30.300 -0.979 0.000 1.330 14 R HN 0.495 nan 8.270 nan 0.000 0.707 15 D N 0.969 121.036 120.400 -0.554 0.000 2.311 15 D HA -0.181 4.467 4.640 0.013 0.000 0.212 15 D C 1.269 177.501 176.300 -0.113 0.000 0.972 15 D CA 1.109 54.892 54.000 -0.362 0.000 0.887 15 D CB 0.147 40.567 40.800 -0.634 0.000 0.915 15 D HN 0.647 nan 8.370 nan 0.000 0.497 16 W N 1.085 122.415 121.300 0.050 0.000 3.292 16 W HA 0.238 4.906 4.660 0.013 0.000 0.263 16 W C 0.459 177.079 176.519 0.169 0.000 1.318 16 W CA -0.358 57.120 57.345 0.222 0.000 1.663 16 W CB -0.202 29.436 29.460 0.296 0.000 1.114 16 W HN -0.211 nan 8.180 nan 0.000 0.706 17 E N 1.348 121.418 120.200 -0.217 0.000 3.385 17 E HA 0.062 4.419 4.350 0.013 0.000 0.206 17 E C -0.733 175.722 176.600 -0.241 0.000 0.997 17 E CA -0.213 56.083 56.400 -0.173 0.000 1.278 17 E CB -0.177 29.401 29.700 -0.203 0.000 1.165 17 E HN 0.020 nan 8.360 nan 0.000 0.452 18 N N 0.944 119.542 118.700 -0.169 0.000 2.699 18 N HA 0.114 4.862 4.740 0.013 0.000 0.271 18 N C -2.423 172.958 175.510 -0.214 0.000 1.216 18 N CA -1.771 51.141 53.050 -0.230 0.000 0.844 18 N CB 1.423 39.785 38.487 -0.210 0.000 1.462 18 N HN -0.158 nan 8.380 nan 0.000 0.555 19 P HA 0.070 nan 4.420 nan 0.000 0.234 19 P C 1.030 178.097 177.300 -0.389 0.000 1.167 19 P CA 0.611 63.395 63.100 -0.527 0.000 0.763 19 P CB 0.137 31.025 31.700 -1.353 0.000 0.835 20 G N -0.611 108.005 108.800 -0.306 0.000 2.777 20 G HA2 0.088 4.056 3.960 0.013 0.000 0.211 20 G HA3 0.088 4.056 3.960 0.013 0.000 0.211 20 G C 0.231 175.054 174.900 -0.128 0.000 1.149 20 G CA 0.162 45.132 45.100 -0.217 0.000 0.785 20 G HN 0.200 nan 8.290 nan 0.000 0.536 21 V N 1.695 121.552 119.914 -0.094 0.000 2.349 21 V HA 0.308 4.436 4.120 0.013 0.000 0.284 21 V C 0.819 176.972 176.094 0.099 0.000 1.014 21 V CA 0.106 62.401 62.300 -0.009 0.000 0.826 21 V CB 1.286 33.086 31.823 -0.038 0.000 1.009 21 V HN 0.321 nan 8.190 nan 0.000 0.431 22 T N 0.718 115.326 114.554 0.090 0.000 3.023 22 T HA 0.373 4.731 4.350 0.013 0.000 0.253 22 T C 0.235 174.987 174.700 0.087 0.000 1.038 22 T CA 0.075 62.234 62.100 0.098 0.000 0.962 22 T CB 0.335 69.213 68.868 0.016 0.000 1.018 22 T HN 0.688 nan 8.240 nan 0.000 0.521 23 Q N 0.182 120.077 119.800 0.158 0.000 2.776 23 Q HA 0.676 5.024 4.340 0.013 0.000 0.289 23 Q C -2.277 173.853 176.000 0.217 0.000 0.912 23 Q CA -1.049 54.841 55.803 0.145 0.000 0.789 23 Q CB 0.821 29.561 28.738 0.004 0.000 1.498 23 Q HN 0.217 nan 8.270 nan 0.000 0.408 24 L N 1.597 122.971 121.223 0.251 0.000 2.464 24 L HA 0.610 4.958 4.340 0.013 0.000 0.266 24 L C -0.587 176.397 176.870 0.190 0.000 0.965 24 L CA -0.892 54.094 54.840 0.243 0.000 0.833 24 L CB 1.958 44.268 42.059 0.419 0.000 1.296 24 L HN 0.858 nan 8.230 nan 0.000 0.405 25 N N 0.755 119.538 118.700 0.139 0.000 2.753 25 N HA -0.212 4.536 4.740 0.013 0.000 0.251 25 N C 0.167 175.759 175.510 0.137 0.000 1.097 25 N CA 0.848 53.972 53.050 0.124 0.000 0.786 25 N CB -0.834 37.681 38.487 0.047 0.000 1.137 25 N HN 0.656 nan 8.380 nan 0.000 0.566 26 R N 0.984 121.484 120.500 0.001 0.000 2.441 26 R HA 0.410 4.758 4.340 0.013 0.000 0.284 26 R C 0.541 176.696 176.300 -0.240 0.000 1.070 26 R CA -0.377 55.502 56.100 -0.370 0.000 1.047 26 R CB 0.548 30.630 30.300 -0.365 0.000 1.016 26 R HN 0.121 nan 8.270 nan 0.000 0.477 27 L N 2.946 123.995 121.223 -0.289 0.000 2.466 27 L HA 0.311 4.659 4.340 0.013 0.000 0.257 27 L C 0.701 177.515 176.870 -0.095 0.000 1.189 27 L CA -0.576 54.191 54.840 -0.121 0.000 0.813 27 L CB 0.662 42.684 42.059 -0.061 0.000 1.118 27 L HN 0.770 nan 8.230 nan 0.000 0.471 28 A N 1.178 123.986 122.820 -0.021 0.000 2.507 28 A HA 0.467 4.795 4.320 0.013 0.000 0.235 28 A C 0.307 177.891 177.584 0.001 0.000 1.070 28 A CA 0.090 52.124 52.037 -0.005 0.000 0.768 28 A CB 0.097 19.121 19.000 0.041 0.000 1.011 28 A HN 0.798 nan 8.150 nan 0.000 0.502 29 A N 1.260 124.033 122.820 -0.077 0.000 2.304 29 A HA 0.717 5.045 4.320 0.013 0.000 0.271 29 A C 0.070 177.549 177.584 -0.175 0.000 1.091 29 A CA 0.396 52.303 52.037 -0.217 0.000 0.812 29 A CB 0.034 18.908 19.000 -0.210 0.000 1.056 29 A HN 1.888 nan 8.150 nan 0.000 0.489 30 H N -2.382 116.533 119.070 -0.258 0.000 2.917 30 H HA 0.640 5.203 4.556 0.013 0.000 0.299 30 H C -3.401 171.652 175.328 -0.458 0.000 1.418 30 H CA -1.788 54.049 56.048 -0.351 0.000 1.138 30 H CB 0.068 29.510 29.762 -0.532 0.000 1.830 30 H HN 0.383 nan 8.280 nan 0.000 0.514 31 P HA 0.242 nan 4.420 nan 0.000 0.274 31 P C -2.605 174.567 177.300 -0.212 0.000 1.256 31 P CA -1.551 61.368 63.100 -0.301 0.000 0.795 31 P CB -0.215 31.225 31.700 -0.434 0.000 1.038 32 P HA 0.048 nan 4.420 nan 0.000 0.261 32 P C -0.754 176.787 177.300 0.402 0.000 1.183 32 P CA 1.155 64.318 63.100 0.106 0.000 0.761 32 P CB -0.128 31.660 31.700 0.147 0.000 0.785 33 F N 1.412 121.469 119.950 0.179 0.000 2.556 33 F HA 0.608 5.142 4.527 0.013 0.000 0.327 33 F C 0.995 176.743 175.800 -0.086 0.000 1.059 33 F CA -1.011 57.039 58.000 0.082 0.000 0.953 33 F CB 2.195 41.197 39.000 0.004 0.000 1.227 33 F HN 0.214 nan 8.300 nan 0.000 0.478 34 A N 0.246 123.028 122.820 -0.064 0.000 2.591 34 A HA 0.230 4.557 4.320 0.013 0.000 0.204 34 A C 0.585 177.902 177.584 -0.445 0.000 1.410 34 A CA 0.480 52.240 52.037 -0.462 0.000 1.065 34 A CB -0.080 18.196 19.000 -1.207 0.000 1.362 34 A HN 0.754 nan 8.150 nan 0.000 0.566 35 S N 0.386 115.928 115.700 -0.262 0.000 3.608 35 S HA -0.144 4.334 4.470 0.013 0.000 0.382 35 S C -0.051 174.493 174.600 -0.093 0.000 0.945 35 S CA 0.445 58.545 58.200 -0.166 0.000 1.256 35 S CB -1.593 61.511 63.200 -0.160 0.000 0.913 35 S HN 0.467 nan 8.310 nan 0.000 0.518 36 W N 1.786 123.061 121.300 -0.042 0.000 2.137 36 W HA 0.266 4.934 4.660 0.013 0.000 0.344 36 W C 1.390 177.882 176.519 -0.046 0.000 1.286 36 W CA -0.585 56.740 57.345 -0.032 0.000 1.240 36 W CB 0.266 29.707 29.460 -0.031 0.000 1.141 36 W HN 0.345 nan 8.180 nan 0.000 0.579 37 R N 1.700 122.314 120.500 0.190 0.000 2.509 37 R HA 0.085 4.433 4.340 0.013 0.000 0.300 37 R C -0.043 176.301 176.300 0.074 0.000 0.985 37 R CA -0.101 56.053 56.100 0.090 0.000 1.092 37 R CB -0.105 30.218 30.300 0.039 0.000 1.237 37 R HN 0.359 nan 8.270 nan 0.000 0.546 38 N N 0.046 118.801 118.700 0.093 0.000 2.397 38 N HA 0.119 4.867 4.740 0.013 0.000 0.291 38 N C -0.149 175.324 175.510 -0.062 0.000 1.065 38 N CA -0.042 53.016 53.050 0.013 0.000 0.884 38 N CB 1.951 40.447 38.487 0.015 0.000 1.551 38 N HN -0.263 nan 8.380 nan 0.000 0.487 39 S N 2.224 117.865 115.700 -0.098 0.000 2.402 39 S HA -0.135 4.343 4.470 0.013 0.000 0.229 39 S C 1.366 175.788 174.600 -0.296 0.000 1.021 39 S CA 0.935 59.032 58.200 -0.173 0.000 0.974 39 S CB 0.049 63.179 63.200 -0.117 0.000 0.800 39 S HN 0.751 nan 8.310 nan 0.000 0.484 40 E N 1.715 121.761 120.200 -0.257 0.000 2.152 40 E HA -0.106 4.252 4.350 0.013 0.000 0.192 40 E C 1.793 178.172 176.600 -0.368 0.000 0.983 40 E CA 0.989 57.196 56.400 -0.320 0.000 0.818 40 E CB -0.135 29.436 29.700 -0.215 0.000 0.758 40 E HN 0.238 nan 8.360 nan 0.000 0.467 41 E N 0.194 120.191 120.200 -0.339 0.000 2.106 41 E HA -0.116 4.242 4.350 0.013 0.000 0.192 41 E C 1.937 177.950 176.600 -0.978 0.000 0.984 41 E CA 1.122 57.285 56.400 -0.396 0.000 0.806 41 E CB -0.433 29.181 29.700 -0.143 0.000 0.750 41 E HN 0.391 nan 8.360 nan 0.000 0.458 42 A N 1.404 123.457 122.820 -1.278 0.000 1.898 42 A HA -0.158 4.170 4.320 0.013 0.000 0.216 42 A C 2.234 179.214 177.584 -1.007 0.000 1.181 42 A CA 1.471 52.411 52.037 -1.829 0.000 0.620 42 A CB -0.444 18.000 19.000 -0.928 0.000 0.819 42 A HN 0.121 nan 8.150 nan 0.000 0.442 43 R N -0.087 120.005 120.500 -0.680 0.000 2.091 43 R HA -0.145 4.203 4.340 0.013 0.000 0.238 43 R C 2.065 178.097 176.300 -0.448 0.000 1.136 43 R CA 2.161 57.915 56.100 -0.576 0.000 0.959 43 R CB -0.529 29.313 30.300 -0.765 0.000 0.856 43 R HN 0.628 nan 8.270 nan 0.000 0.437 44 T N -2.431 111.877 114.554 -0.411 0.000 3.148 44 T HA -0.006 4.352 4.350 0.013 0.000 0.253 44 T C 0.396 175.000 174.700 -0.160 0.000 1.134 44 T CA 0.681 62.633 62.100 -0.246 0.000 1.051 44 T CB -0.038 68.717 68.868 -0.189 0.000 0.959 44 T HN 0.373 nan 8.240 nan 0.000 0.525 45 D N 0.692 120.956 120.400 -0.227 0.000 2.945 45 D HA -0.158 4.490 4.640 0.013 0.000 0.225 45 D C 0.108 176.526 176.300 0.196 0.000 1.158 45 D CA 0.464 54.491 54.000 0.043 0.000 0.805 45 D CB -1.090 39.783 40.800 0.122 0.000 1.098 45 D HN 0.596 nan 8.370 nan 0.000 0.426 46 R N 0.005 120.576 120.500 0.118 0.000 2.649 46 R HA 0.463 4.811 4.340 0.013 0.000 0.270 46 R C -2.062 174.504 176.300 0.445 0.000 1.105 46 R CA -1.250 54.977 56.100 0.211 0.000 1.193 46 R CB 0.127 30.490 30.300 0.105 0.000 1.120 46 R HN 0.075 nan 8.270 nan 0.000 0.561 47 P HA -0.020 nan 4.420 nan 0.000 0.270 47 P C -0.802 176.661 177.300 0.273 0.000 1.223 47 P CA 0.025 63.269 63.100 0.240 0.000 0.785 47 P CB 0.745 32.532 31.700 0.144 0.000 0.923 48 S N 0.513 116.240 115.700 0.045 0.000 2.482 48 S HA 0.162 4.640 4.470 0.013 0.000 0.303 48 S C 0.842 175.448 174.600 0.010 0.000 1.091 48 S CA -0.492 57.660 58.200 -0.078 0.000 1.057 48 S CB 0.814 63.635 63.200 -0.631 0.000 1.031 48 S HN 0.395 nan 8.310 nan 0.000 0.485 49 Q N 1.812 121.655 119.800 0.073 0.000 2.436 49 Q HA -0.030 4.317 4.340 0.013 0.000 0.209 49 Q C 0.716 176.833 176.000 0.194 0.000 0.965 49 Q CA 1.020 56.902 55.803 0.132 0.000 0.910 49 Q CB 0.108 28.925 28.738 0.132 0.000 0.980 49 Q HN 0.674 nan 8.270 nan 0.000 0.491 50 Q N -0.495 119.332 119.800 0.045 0.000 2.360 50 Q HA 0.112 4.460 4.340 0.013 0.000 0.202 50 Q C -0.732 175.305 176.000 0.062 0.000 0.915 50 Q CA 0.208 55.980 55.803 -0.053 0.000 0.943 50 Q CB 0.623 29.244 28.738 -0.194 0.000 1.064 50 Q HN 0.063 nan 8.270 nan 0.000 0.511 51 L N 0.717 121.997 121.223 0.096 0.000 2.377 51 L HA 0.452 4.800 4.340 0.013 0.000 0.270 51 L C -1.165 175.792 176.870 0.145 0.000 0.991 51 L CA -0.406 54.491 54.840 0.096 0.000 0.851 51 L CB 0.964 42.987 42.059 -0.059 0.000 1.218 51 L HN -0.106 nan 8.230 nan 0.000 0.420 52 R N 2.302 122.928 120.500 0.210 0.000 2.668 52 R HA 0.640 4.988 4.340 0.013 0.000 0.279 52 R C -0.547 175.779 176.300 0.044 0.000 0.976 52 R CA -0.808 55.359 56.100 0.111 0.000 0.978 52 R CB 1.974 32.307 30.300 0.056 0.000 1.133 52 R HN 0.636 nan 8.270 nan 0.000 0.484 53 S N 1.381 117.094 115.700 0.022 0.000 2.508 53 S HA 0.293 4.770 4.470 0.013 0.000 0.284 53 S C 0.542 175.138 174.600 -0.008 0.000 1.192 53 S CA -0.662 57.541 58.200 0.004 0.000 1.070 53 S CB 0.546 63.759 63.200 0.022 0.000 1.004 53 S HN 0.541 nan 8.310 nan 0.000 0.493 54 L N 3.552 124.764 121.223 -0.017 0.000 2.769 54 L HA 0.293 4.641 4.340 0.013 0.000 0.240 54 L C 0.192 177.187 176.870 0.209 0.000 1.163 54 L CA -0.333 54.513 54.840 0.009 0.000 0.962 54 L CB -0.265 41.738 42.059 -0.093 0.000 1.258 54 L HN 0.521 nan 8.230 nan 0.000 0.513 55 N N 1.201 119.983 118.700 0.138 0.000 2.453 55 N HA 0.443 5.191 4.740 0.013 0.000 0.253 55 N C 0.630 176.272 175.510 0.219 0.000 1.252 55 N CA 1.049 54.197 53.050 0.162 0.000 0.917 55 N CB 1.180 39.697 38.487 0.050 0.000 1.117 55 N HN 0.297 nan 8.380 nan 0.000 0.442 56 G N 0.322 109.278 108.800 0.260 0.000 2.288 56 G HA2 -0.062 3.906 3.960 0.013 0.000 0.227 56 G HA3 -0.062 3.906 3.960 0.013 0.000 0.227 56 G C -1.552 173.565 174.900 0.361 0.000 1.339 56 G CA -0.790 44.450 45.100 0.233 0.000 1.057 56 G HN 0.462 nan 8.290 nan 0.000 0.470 57 E N 0.020 120.395 120.200 0.293 0.000 2.194 57 E HA 0.467 4.824 4.350 0.013 0.000 0.284 57 E C -1.015 175.830 176.600 0.408 0.000 1.035 57 E CA -0.123 56.463 56.400 0.310 0.000 0.836 57 E CB 1.054 30.855 29.700 0.168 0.000 1.070 57 E HN 0.354 nan 8.360 nan 0.000 0.401 58 W N 1.620 123.008 121.300 0.147 0.000 2.894 58 W HA 0.407 5.075 4.660 0.013 0.000 0.345 58 W C 0.066 176.709 176.519 0.208 0.000 1.152 58 W CA -0.738 56.726 57.345 0.198 0.000 1.089 58 W CB 0.849 30.483 29.460 0.289 0.000 1.454 58 W HN 0.177 nan 8.180 nan 0.000 0.589 59 R N 1.532 122.315 120.500 0.472 0.000 2.407 59 R HA 0.605 4.952 4.340 0.013 0.000 0.303 59 R C -1.474 175.072 176.300 0.410 0.000 0.981 59 R CA -0.893 55.417 56.100 0.351 0.000 0.905 59 R CB 1.295 31.751 30.300 0.261 0.000 1.099 59 R HN 0.501 nan 8.270 nan 0.000 0.459 60 F N 0.390 120.377 119.950 0.061 0.000 2.591 60 F HA 0.644 5.179 4.527 0.013 0.000 0.309 60 F C -1.588 174.057 175.800 -0.258 0.000 1.098 60 F CA -0.629 57.266 58.000 -0.174 0.000 0.937 60 F CB 2.022 40.792 39.000 -0.383 0.000 1.250 60 F HN 0.608 nan 8.300 nan 0.000 0.447 61 A N 4.483 126.572 122.820 -1.218 0.000 2.422 61 A HA 0.544 4.872 4.320 0.013 0.000 0.302 61 A C -2.350 174.298 177.584 -1.560 0.000 1.041 61 A CA -0.517 50.872 52.037 -1.080 0.000 0.708 61 A CB 0.687 19.352 19.000 -0.557 0.000 1.257 61 A HN 0.974 nan 8.150 nan 0.000 0.414 62 W N 3.159 123.605 121.300 -1.423 0.000 2.390 62 W HA 0.714 5.382 4.660 0.013 0.000 0.312 62 W C -1.770 174.115 176.519 -1.057 0.000 1.123 62 W CA -0.290 56.382 57.345 -1.122 0.000 1.202 62 W CB 0.850 29.921 29.460 -0.650 0.000 1.251 62 W HN 0.494 nan 8.180 nan 0.000 0.511 63 F N 6.681 126.001 119.950 -1.050 0.000 2.563 63 F HA 0.378 4.913 4.527 0.013 0.000 0.316 63 F C -1.243 173.691 175.800 -1.442 0.000 1.076 63 F CA -2.454 55.024 58.000 -0.870 0.000 0.921 63 F CB 1.718 40.349 39.000 -0.614 0.000 1.209 63 F HN 0.227 nan 8.300 nan 0.000 0.462 64 P HA 0.137 nan 4.420 nan 0.000 0.236 64 P C -0.392 176.773 177.300 -0.226 0.000 1.177 64 P CA 0.768 63.582 63.100 -0.477 0.000 0.773 64 P CB 0.661 32.388 31.700 0.044 0.000 0.878 65 A N -0.357 122.341 122.820 -0.204 0.000 2.599 65 A HA 0.489 4.817 4.320 0.013 0.000 0.294 65 A C -2.480 175.002 177.584 -0.170 0.000 1.055 65 A CA -0.905 51.066 52.037 -0.110 0.000 0.683 65 A CB 0.397 19.398 19.000 0.002 0.000 1.278 65 A HN -0.303 nan 8.150 nan 0.000 0.412 66 P HA -0.105 nan 4.420 nan 0.000 0.220 66 P C 0.692 177.893 177.300 -0.166 0.000 1.148 66 P CA 1.484 64.445 63.100 -0.231 0.000 0.803 66 P CB 0.233 31.756 31.700 -0.295 0.000 0.782 67 E N 0.079 120.243 120.200 -0.061 0.000 2.338 67 E HA -0.026 4.332 4.350 0.013 0.000 0.197 67 E C 1.968 178.505 176.600 -0.105 0.000 1.007 67 E CA 1.027 57.403 56.400 -0.040 0.000 0.849 67 E CB -0.800 28.914 29.700 0.024 0.000 0.774 67 E HN 0.240 nan 8.360 nan 0.000 0.506 68 A N 0.372 123.100 122.820 -0.154 0.000 2.251 68 A HA 0.105 4.433 4.320 0.013 0.000 0.209 68 A C 0.685 177.995 177.584 -0.457 0.000 1.187 68 A CA -0.142 51.803 52.037 -0.153 0.000 0.823 68 A CB 0.266 19.282 19.000 0.027 0.000 0.846 68 A HN 0.041 nan 8.150 nan 0.000 0.486 69 V N 3.071 122.565 119.914 -0.701 0.000 2.508 69 V HA 0.219 4.346 4.120 0.013 0.000 0.281 69 V C -2.053 173.691 176.094 -0.584 0.000 1.041 69 V CA -1.358 60.267 62.300 -1.125 0.000 1.016 69 V CB 0.739 31.982 31.823 -0.967 0.000 0.984 69 V HN 0.358 nan 8.190 nan 0.000 0.478 70 P HA 0.186 nan 4.420 nan 0.000 0.284 70 P C 0.660 177.893 177.300 -0.111 0.000 1.253 70 P CA -0.401 62.582 63.100 -0.195 0.000 0.800 70 P CB 1.034 32.678 31.700 -0.093 0.000 0.961 71 E N 2.097 122.246 120.200 -0.085 0.000 2.219 71 E HA -0.207 4.151 4.350 0.013 0.000 0.198 71 E C 1.302 177.876 176.600 -0.044 0.000 0.998 71 E CA 1.843 58.200 56.400 -0.071 0.000 0.818 71 E CB -0.001 29.663 29.700 -0.060 0.000 0.741 71 E HN 0.509 nan 8.360 nan 0.000 0.477 72 S N -0.108 115.586 115.700 -0.011 0.000 2.419 72 S HA -0.188 4.290 4.470 0.013 0.000 0.233 72 S C 1.633 176.250 174.600 0.029 0.000 1.016 72 S CA 0.854 59.054 58.200 0.001 0.000 0.974 72 S CB -0.996 62.215 63.200 0.020 0.000 0.786 72 S HN 0.599 nan 8.310 nan 0.000 0.492 73 W N 2.518 123.719 121.300 -0.164 0.000 2.359 73 W HA -0.018 4.649 4.660 0.013 0.000 0.275 73 W C 1.471 177.873 176.519 -0.196 0.000 1.217 73 W CA 0.899 58.146 57.345 -0.164 0.000 1.196 73 W CB -0.341 28.992 29.460 -0.212 0.000 1.129 73 W HN 0.275 nan 8.180 nan 0.000 0.566 74 L N 0.129 121.144 121.223 -0.347 0.000 2.156 74 L HA -0.119 4.229 4.340 0.013 0.000 0.208 74 L C 2.375 179.017 176.870 -0.380 0.000 1.095 74 L CA 1.115 55.584 54.840 -0.620 0.000 0.770 74 L CB -0.669 41.047 42.059 -0.572 0.000 0.914 74 L HN -0.098 nan 8.230 nan 0.000 0.439 75 E N -0.817 119.250 120.200 -0.220 0.000 2.307 75 E HA 0.048 4.405 4.350 0.013 0.000 0.195 75 E C 0.355 176.888 176.600 -0.111 0.000 0.975 75 E CA 0.440 56.761 56.400 -0.131 0.000 0.878 75 E CB 0.644 30.300 29.700 -0.073 0.000 0.845 75 E HN 0.508 nan 8.360 nan 0.000 0.488 76 C N -0.801 118.438 119.300 -0.103 0.000 3.285 76 C HA 0.489 4.957 4.460 0.013 0.000 0.325 76 C C -0.403 174.585 174.990 -0.003 0.000 1.304 76 C CA -1.545 57.439 59.018 -0.056 0.000 1.319 76 C CB 0.885 28.610 27.740 -0.024 0.000 1.640 76 C HN 0.125 nan 8.230 nan 0.000 0.477 77 D N 0.653 121.066 120.400 0.021 0.000 2.472 77 D HA 0.349 4.997 4.640 0.013 0.000 0.237 77 D C -0.278 176.097 176.300 0.125 0.000 1.141 77 D CA 0.304 54.360 54.000 0.094 0.000 0.875 77 D CB 0.535 41.377 40.800 0.070 0.000 1.192 77 D HN 0.595 nan 8.370 nan 0.000 0.450 78 L N 5.744 127.079 121.223 0.187 0.000 2.290 78 L HA 0.265 4.613 4.340 0.013 0.000 0.284 78 L C -1.288 175.637 176.870 0.092 0.000 1.078 78 L CA -1.539 53.386 54.840 0.142 0.000 0.815 78 L CB 1.299 43.449 42.059 0.152 0.000 1.162 78 L HN 0.510 nan 8.230 nan 0.000 0.435 79 P HA -0.214 nan 4.420 nan 0.000 0.218 79 P C 0.996 178.320 177.300 0.040 0.000 1.148 79 P CA 1.088 64.217 63.100 0.049 0.000 0.822 79 P CB 0.083 31.806 31.700 0.038 0.000 0.784 80 E N -0.165 120.054 120.200 0.032 0.000 2.502 80 E HA 0.059 4.417 4.350 0.013 0.000 0.194 80 E C 0.624 177.227 176.600 0.005 0.000 1.062 80 E CA -0.048 56.359 56.400 0.011 0.000 0.867 80 E CB -0.527 29.165 29.700 -0.013 0.000 0.888 80 E HN 0.037 nan 8.360 nan 0.000 0.510 81 A N 1.160 123.995 122.820 0.025 0.000 2.429 81 A HA 0.167 4.495 4.320 0.013 0.000 0.242 81 A C -0.218 177.412 177.584 0.077 0.000 1.088 81 A CA -0.015 52.038 52.037 0.027 0.000 0.784 81 A CB 0.304 19.351 19.000 0.078 0.000 1.038 81 A HN 0.154 nan 8.150 nan 0.000 0.501 82 D N -0.523 119.953 120.400 0.127 0.000 2.350 82 D HA 0.537 5.185 4.640 0.013 0.000 0.238 82 D C -0.620 175.789 176.300 0.182 0.000 0.989 82 D CA -0.013 54.085 54.000 0.163 0.000 0.921 82 D CB 1.556 42.508 40.800 0.254 0.000 1.297 82 D HN 0.401 nan 8.370 nan 0.000 0.490 83 T N 0.483 115.124 114.554 0.146 0.000 2.806 83 T HA 0.539 4.897 4.350 0.013 0.000 0.290 83 T C 0.132 174.919 174.700 0.146 0.000 0.966 83 T CA -0.526 61.671 62.100 0.162 0.000 1.060 83 T CB 0.821 69.763 68.868 0.123 0.000 0.927 83 T HN 0.268 nan 8.240 nan 0.000 0.485 84 V N 0.899 120.930 119.914 0.196 0.000 3.130 84 V HA 0.785 4.913 4.120 0.013 0.000 0.310 84 V C -0.397 175.814 176.094 0.194 0.000 1.158 84 V CA -1.065 61.307 62.300 0.120 0.000 1.029 84 V CB 1.652 33.546 31.823 0.118 0.000 1.057 84 V HN 0.537 nan 8.190 nan 0.000 0.436 85 V N 1.887 121.890 119.914 0.149 0.000 2.583 85 V HA 0.511 4.639 4.120 0.013 0.000 0.287 85 V C 0.011 176.180 176.094 0.126 0.000 1.051 85 V CA -0.007 62.383 62.300 0.150 0.000 1.010 85 V CB 1.393 33.276 31.823 0.100 0.000 0.988 85 V HN 0.751 nan 8.190 nan 0.000 0.478 86 V N 7.316 127.230 119.914 0.000 0.000 2.588 86 V HA 0.468 4.596 4.120 0.013 0.000 0.304 86 V C -2.273 173.708 176.094 -0.189 0.000 1.042 86 V CA -1.644 60.505 62.300 -0.252 0.000 0.877 86 V CB 2.489 33.752 31.823 -0.932 0.000 0.996 86 V HN 0.763 nan 8.190 nan 0.000 0.425 87 P HA 0.481 nan 4.420 nan 0.000 0.276 87 P C -0.860 176.373 177.300 -0.112 0.000 1.244 87 P CA -0.172 62.805 63.100 -0.206 0.000 0.801 87 P CB 1.464 33.053 31.700 -0.184 0.000 1.006 88 S N 0.089 115.737 115.700 -0.087 0.000 2.595 88 S HA 0.390 4.868 4.470 0.013 0.000 0.270 88 S C -1.304 173.236 174.600 -0.100 0.000 1.145 88 S CA -1.030 57.103 58.200 -0.111 0.000 0.825 88 S CB 0.388 63.492 63.200 -0.160 0.000 1.107 88 S HN 0.362 nan 8.310 nan 0.000 0.461 89 N N 1.089 119.660 118.700 -0.214 0.000 2.424 89 N HA 0.412 5.160 4.740 0.013 0.000 0.271 89 N C 0.523 175.854 175.510 -0.298 0.000 0.985 89 N CA -0.829 52.066 53.050 -0.258 0.000 0.921 89 N CB 0.692 38.998 38.487 -0.303 0.000 1.149 89 N HN 0.850 nan 8.380 nan 0.000 0.492 90 W N 2.762 123.913 121.300 -0.250 0.000 2.421 90 W HA -0.093 4.575 4.660 0.013 0.000 0.270 90 W C 1.009 177.490 176.519 -0.064 0.000 1.233 90 W CA 0.750 57.945 57.345 -0.250 0.000 1.226 90 W CB -0.350 28.954 29.460 -0.261 0.000 1.121 90 W HN 0.511 nan 8.180 nan 0.000 0.579 91 Q N 0.506 120.249 119.800 -0.095 0.000 2.170 91 Q HA -0.138 4.210 4.340 0.013 0.000 0.203 91 Q C 2.189 178.112 176.000 -0.128 0.000 0.976 91 Q CA 2.018 57.768 55.803 -0.088 0.000 0.858 91 Q CB -0.580 27.988 28.738 -0.283 0.000 0.907 91 Q HN 0.270 nan 8.270 nan 0.000 0.433 92 M N -0.802 118.681 119.600 -0.194 0.000 2.549 92 M HA -0.078 4.410 4.480 0.013 0.000 0.260 92 M C 0.653 176.987 176.300 0.057 0.000 1.076 92 M CA 1.440 56.656 55.300 -0.141 0.000 1.090 92 M CB -0.627 31.873 32.600 -0.166 0.000 1.418 92 M HN 0.378 nan 8.290 nan 0.000 0.486 93 H N -0.856 118.223 119.070 0.014 0.000 2.549 93 H HA 0.297 4.861 4.556 0.013 0.000 0.279 93 H C 1.232 176.433 175.328 -0.212 0.000 1.018 93 H CA 0.051 56.080 56.048 -0.032 0.000 1.175 93 H CB 0.374 30.213 29.762 0.129 0.000 1.485 93 H HN 0.554 nan 8.280 nan 0.000 0.543 94 G N 0.641 109.426 108.800 -0.025 0.000 2.148 94 G HA2 -0.376 3.592 3.960 0.013 0.000 0.254 94 G HA3 -0.376 3.592 3.960 0.013 0.000 0.254 94 G C 0.390 175.151 174.900 -0.231 0.000 0.981 94 G CA 0.391 45.414 45.100 -0.129 0.000 0.670 94 G HN 0.503 nan 8.290 nan 0.000 0.528 95 Y N 1.407 121.727 120.300 0.032 0.000 2.293 95 Y HA 0.238 4.796 4.550 0.013 0.000 0.291 95 Y C 1.675 177.341 175.900 -0.390 0.000 1.137 95 Y CA 1.565 59.568 58.100 -0.161 0.000 1.202 95 Y CB 0.260 38.727 38.460 0.012 0.000 0.990 95 Y HN 0.660 nan 8.280 nan 0.000 0.537 96 D N -1.894 118.557 120.400 0.085 0.000 2.665 96 D HA 0.478 5.126 4.640 0.013 0.000 0.287 96 D C -1.222 175.143 176.300 0.107 0.000 1.266 96 D CA -0.861 53.182 54.000 0.073 0.000 0.830 96 D CB 0.756 41.714 40.800 0.262 0.000 1.356 96 D HN -0.066 nan 8.370 nan 0.000 0.437 97 A N 0.068 122.961 122.820 0.122 0.000 2.327 97 A HA 0.698 5.026 4.320 0.013 0.000 0.283 97 A C -2.339 175.255 177.584 0.017 0.000 1.127 97 A CA -1.140 50.942 52.037 0.075 0.000 0.810 97 A CB 0.044 19.163 19.000 0.198 0.000 1.066 97 A HN 0.533 nan 8.150 nan 0.000 0.492 98 P HA 0.451 nan 4.420 nan 0.000 0.277 98 P C -0.871 176.606 177.300 0.295 0.000 1.240 98 P CA 0.029 63.069 63.100 -0.099 0.000 0.798 98 P CB 0.712 32.082 31.700 -0.551 0.000 0.979 99 I N 1.899 122.746 120.570 0.462 0.000 2.433 99 I HA 0.256 4.434 4.170 0.013 0.000 0.292 99 I C -0.618 175.691 176.117 0.320 0.000 1.001 99 I CA -0.943 60.618 61.300 0.434 0.000 1.119 99 I CB 1.619 39.802 38.000 0.305 0.000 1.289 99 I HN 0.282 nan 8.210 nan 0.000 0.438 100 Y N 6.195 126.415 120.300 -0.133 0.000 2.491 100 Y HA 0.490 5.048 4.550 0.013 0.000 0.334 100 Y C -0.311 175.419 175.900 -0.284 0.000 0.969 100 Y CA -0.534 57.186 58.100 -0.633 0.000 1.241 100 Y CB 1.075 38.638 38.460 -1.495 0.000 1.105 100 Y HN 0.524 nan 8.280 nan 0.000 0.503 101 T N 5.135 119.183 114.554 -0.844 0.000 2.863 101 T HA 0.266 4.624 4.350 0.013 0.000 0.285 101 T C 0.243 174.453 174.700 -0.817 0.000 1.009 101 T CA -0.548 61.094 62.100 -0.763 0.000 0.989 101 T CB 1.079 69.739 68.868 -0.347 0.000 1.004 101 T HN 0.769 nan 8.240 nan 0.000 0.455 102 N N 2.793 121.070 118.700 -0.705 0.000 2.349 102 N HA 0.074 4.822 4.740 0.013 0.000 0.202 102 N C 1.514 176.816 175.510 -0.345 0.000 1.041 102 N CA 1.285 54.073 53.050 -0.437 0.000 0.970 102 N CB -0.514 37.748 38.487 -0.374 0.000 1.173 102 N HN 0.393 nan 8.380 nan 0.000 0.493 103 V N 0.363 120.055 119.914 -0.370 0.000 2.672 103 V HA 0.144 4.272 4.120 0.013 0.000 0.242 103 V C 0.327 176.204 176.094 -0.362 0.000 1.059 103 V CA 0.718 62.803 62.300 -0.360 0.000 1.081 103 V CB -0.384 31.225 31.823 -0.356 0.000 0.752 103 V HN 0.299 nan 8.190 nan 0.000 0.472 104 T N 0.964 115.342 114.554 -0.294 0.000 2.902 104 T HA 0.153 4.511 4.350 0.013 0.000 0.301 104 T C -0.347 174.238 174.700 -0.193 0.000 1.012 104 T CA 0.265 62.243 62.100 -0.204 0.000 1.151 104 T CB -0.087 68.683 68.868 -0.163 0.000 0.946 104 T HN 0.175 nan 8.240 nan 0.000 0.542 105 Y N 4.417 124.626 120.300 -0.152 0.000 2.550 105 Y HA 0.129 4.687 4.550 0.013 0.000 0.343 105 Y C -0.828 174.945 175.900 -0.212 0.000 1.245 105 Y CA -1.636 56.357 58.100 -0.177 0.000 1.462 105 Y CB 0.493 38.841 38.460 -0.188 0.000 1.340 105 Y HN 0.514 nan 8.280 nan 0.000 0.604 106 P HA 0.002 nan 4.420 nan 0.000 0.241 106 P C -0.339 176.727 177.300 -0.391 0.000 1.191 106 P CA 1.079 64.062 63.100 -0.195 0.000 0.771 106 P CB 0.071 31.679 31.700 -0.152 0.000 0.929 107 I N -5.296 115.024 120.570 -0.417 0.000 3.002 107 I HA 0.497 4.675 4.170 0.013 0.000 0.310 107 I C -0.523 175.456 176.117 -0.231 0.000 1.087 107 I CA -1.225 59.801 61.300 -0.457 0.000 1.017 107 I CB 1.687 39.273 38.000 -0.691 0.000 1.226 107 I HN -0.468 nan 8.210 nan 0.000 0.443 108 T N 2.712 117.172 114.554 -0.156 0.000 2.934 108 T HA 0.128 4.486 4.350 0.013 0.000 0.306 108 T C 0.190 174.868 174.700 -0.036 0.000 1.042 108 T CA -0.148 61.913 62.100 -0.065 0.000 1.145 108 T CB 0.548 69.401 68.868 -0.025 0.000 0.982 108 T HN 0.376 nan 8.240 nan 0.000 0.544 109 V N 5.185 125.092 119.914 -0.011 0.000 2.352 109 V HA 0.221 4.349 4.120 0.013 0.000 0.253 109 V C 0.701 176.836 176.094 0.069 0.000 1.083 109 V CA -0.170 62.141 62.300 0.019 0.000 0.993 109 V CB -0.229 31.585 31.823 -0.014 0.000 1.111 109 V HN 0.841 nan 8.190 nan 0.000 0.490 110 N N 5.956 124.758 118.700 0.170 0.000 2.666 110 N HA 0.247 4.995 4.740 0.013 0.000 0.253 110 N C -2.902 172.699 175.510 0.153 0.000 1.621 110 N CA -1.301 51.843 53.050 0.157 0.000 0.785 110 N CB 1.422 40.035 38.487 0.210 0.000 1.332 110 N HN 0.273 nan 8.380 nan 0.000 0.514 111 P HA 0.179 nan 4.420 nan 0.000 0.266 111 P C -2.274 174.824 177.300 -0.336 0.000 1.195 111 P CA -0.653 62.074 63.100 -0.621 0.000 0.768 111 P CB 0.562 31.737 31.700 -0.875 0.000 0.838 112 P HA 0.254 nan 4.420 nan 0.000 0.266 112 P C -0.456 176.700 177.300 -0.240 0.000 1.561 112 P CA -0.338 62.543 63.100 -0.365 0.000 1.089 112 P CB -0.008 31.459 31.700 -0.388 0.000 1.534 113 F N 0.900 120.951 119.950 0.168 0.000 2.380 113 F HA 0.328 4.863 4.527 0.013 0.000 0.325 113 F C 1.372 177.341 175.800 0.282 0.000 1.136 113 F CA -0.748 57.366 58.000 0.189 0.000 1.171 113 F CB 0.901 39.963 39.000 0.103 0.000 1.230 113 F HN -0.208 nan 8.300 nan 0.000 0.554 114 V N -0.925 119.269 119.914 0.466 0.000 3.113 114 V HA 0.687 4.814 4.120 0.013 0.000 0.316 114 V C -2.770 173.481 176.094 0.261 0.000 1.125 114 V CA -2.915 59.579 62.300 0.324 0.000 1.026 114 V CB 1.328 33.398 31.823 0.411 0.000 1.080 114 V HN 0.458 nan 8.190 nan 0.000 0.444 115 P HA 0.188 nan 4.420 nan 0.000 0.267 115 P C 1.015 178.451 177.300 0.228 0.000 1.200 115 P CA 0.517 63.704 63.100 0.146 0.000 0.772 115 P CB 0.572 32.338 31.700 0.111 0.000 0.855 116 T N -1.508 113.151 114.554 0.176 0.000 2.995 116 T HA -0.061 4.297 4.350 0.013 0.000 0.269 116 T C 0.462 175.274 174.700 0.187 0.000 1.091 116 T CA 0.743 62.958 62.100 0.191 0.000 1.128 116 T CB -0.417 68.532 68.868 0.136 0.000 0.891 116 T HN 0.367 nan 8.240 nan 0.000 0.492 117 E N 2.473 122.783 120.200 0.183 0.000 2.001 117 E HA 0.335 4.693 4.350 0.013 0.000 0.279 117 E C -0.722 176.044 176.600 0.277 0.000 1.045 117 E CA -0.417 56.098 56.400 0.192 0.000 0.833 117 E CB 0.292 30.105 29.700 0.188 0.000 1.077 117 E HN 0.202 nan 8.360 nan 0.000 0.397 118 N N 4.602 123.437 118.700 0.225 0.000 2.576 118 N HA 0.256 5.004 4.740 0.013 0.000 0.269 118 N C -2.896 172.639 175.510 0.042 0.000 1.058 118 N CA -2.516 50.700 53.050 0.277 0.000 0.860 118 N CB 1.192 39.846 38.487 0.277 0.000 1.249 118 N HN 0.058 nan 8.380 nan 0.000 0.525 119 P HA 0.014 nan 4.420 nan 0.000 0.260 119 P C -0.828 176.371 177.300 -0.170 0.000 1.172 119 P CA 0.552 63.571 63.100 -0.134 0.000 0.760 119 P CB 0.413 32.360 31.700 0.412 0.000 0.773 120 T N 2.911 117.104 114.554 -0.603 0.000 2.812 120 T HA 0.550 4.908 4.350 0.013 0.000 0.282 120 T C 0.257 174.467 174.700 -0.818 0.000 0.990 120 T CA -0.549 61.271 62.100 -0.467 0.000 0.960 120 T CB 1.475 70.100 68.868 -0.405 0.000 0.948 120 T HN 0.330 nan 8.240 nan 0.000 0.438 121 G N 1.149 109.533 108.800 -0.694 0.000 2.347 121 G HA2 0.453 4.421 3.960 0.013 0.000 0.314 121 G HA3 0.453 4.421 3.960 0.013 0.000 0.314 121 G C -0.133 174.556 174.900 -0.351 0.000 1.126 121 G CA -0.368 44.211 45.100 -0.868 0.000 0.929 121 G HN 0.873 nan 8.290 nan 0.000 0.441 122 C N 3.581 122.448 119.300 -0.721 0.000 2.168 122 C HA 0.410 4.878 4.460 0.013 0.000 0.333 122 C C -0.344 174.650 174.990 0.006 0.000 1.106 122 C CA -0.901 57.829 59.018 -0.481 0.000 1.574 122 C CB -2.047 24.954 27.740 -1.231 0.000 2.055 122 C HN 0.615 nan 8.230 nan 0.000 0.473 123 Y N 1.862 122.446 120.300 0.473 0.000 2.419 123 Y HA 0.630 5.188 4.550 0.013 0.000 0.328 123 Y C 0.835 177.176 175.900 0.736 0.000 1.162 123 Y CA -0.089 58.392 58.100 0.634 0.000 1.174 123 Y CB 1.454 40.285 38.460 0.618 0.000 1.228 123 Y HN 0.651 nan 8.280 nan 0.000 0.473 124 S N 2.014 118.196 115.700 0.805 0.000 2.570 124 S HA 0.802 5.280 4.470 0.013 0.000 0.270 124 S C -1.958 172.712 174.600 0.118 0.000 1.149 124 S CA -0.823 57.627 58.200 0.417 0.000 0.837 124 S CB 2.112 65.451 63.200 0.232 0.000 1.124 124 S HN 0.624 nan 8.310 nan 0.000 0.465 125 L N 0.782 121.891 121.223 -0.190 0.000 2.526 125 L HA 0.713 5.061 4.340 0.013 0.000 0.263 125 L C -1.125 175.689 176.870 -0.093 0.000 0.943 125 L CA 0.132 54.700 54.840 -0.453 0.000 0.859 125 L CB 2.260 43.478 42.059 -1.402 0.000 1.313 125 L HN 0.898 nan 8.230 nan 0.000 0.406 126 T N 5.773 120.302 114.554 -0.043 0.000 2.767 126 T HA 0.738 5.096 4.350 0.013 0.000 0.284 126 T C -0.776 173.976 174.700 0.088 0.000 0.973 126 T CA 0.031 62.146 62.100 0.025 0.000 0.996 126 T CB 0.195 69.040 68.868 -0.038 0.000 0.927 126 T HN 0.466 nan 8.240 nan 0.000 0.456 127 F N 1.195 121.045 119.950 -0.167 0.000 2.685 127 F HA 0.753 5.288 4.527 0.013 0.000 0.315 127 F C -0.733 174.988 175.800 -0.132 0.000 1.126 127 F CA -1.586 56.317 58.000 -0.162 0.000 0.950 127 F CB 1.331 40.212 39.000 -0.198 0.000 1.360 127 F HN 0.340 nan 8.300 nan 0.000 0.469 128 N N 0.131 118.734 118.700 -0.162 0.000 2.487 128 N HA 0.645 5.393 4.740 0.013 0.000 0.292 128 N C -1.905 173.464 175.510 -0.235 0.000 1.108 128 N CA -0.445 52.455 53.050 -0.250 0.000 0.956 128 N CB 1.947 40.352 38.487 -0.136 0.000 1.176 128 N HN 0.645 nan 8.380 nan 0.000 0.484 129 V N 2.206 121.952 119.914 -0.280 0.000 2.525 129 V HA 0.283 4.411 4.120 0.013 0.000 0.299 129 V C -0.740 175.225 176.094 -0.215 0.000 1.034 129 V CA -0.981 61.162 62.300 -0.262 0.000 0.863 129 V CB 1.602 33.337 31.823 -0.147 0.000 0.999 129 V HN 0.698 nan 8.190 nan 0.000 0.423 130 D N 2.490 122.716 120.400 -0.289 0.000 2.382 130 D HA 0.121 4.769 4.640 0.013 0.000 0.245 130 D C 1.089 177.387 176.300 -0.004 0.000 1.120 130 D CA 0.057 53.975 54.000 -0.137 0.000 0.890 130 D CB 1.826 42.546 40.800 -0.134 0.000 1.201 130 D HN 0.755 nan 8.370 nan 0.000 0.433 131 E N 0.832 121.043 120.200 0.018 0.000 2.171 131 E HA -0.229 4.128 4.350 0.013 0.000 0.197 131 E C 1.679 178.349 176.600 0.117 0.000 0.997 131 E CA 1.684 58.119 56.400 0.059 0.000 0.810 131 E CB 0.176 29.896 29.700 0.035 0.000 0.738 131 E HN 0.460 nan 8.360 nan 0.000 0.467 132 S N -0.717 115.065 115.700 0.136 0.000 2.400 132 S HA -0.184 4.294 4.470 0.013 0.000 0.232 132 S C 1.562 176.274 174.600 0.186 0.000 1.025 132 S CA 0.972 59.257 58.200 0.143 0.000 0.993 132 S CB -0.681 62.603 63.200 0.139 0.000 0.808 132 S HN 0.412 nan 8.310 nan 0.000 0.478 133 W N 1.649 122.914 121.300 -0.058 0.000 2.465 133 W HA 0.326 4.994 4.660 0.013 0.000 0.268 133 W C 1.851 178.470 176.519 0.167 0.000 1.242 133 W CA -0.056 57.278 57.345 -0.019 0.000 1.248 133 W CB -0.503 29.011 29.460 0.090 0.000 1.118 133 W HN 0.308 nan 8.180 nan 0.000 0.587 134 L N -0.118 121.298 121.223 0.321 0.000 2.529 134 L HA 0.002 4.350 4.340 0.013 0.000 0.223 134 L C 2.208 179.170 176.870 0.152 0.000 1.113 134 L CA 0.353 55.327 54.840 0.223 0.000 0.861 134 L CB -0.452 41.703 42.059 0.159 0.000 1.012 134 L HN -0.115 nan 8.230 nan 0.000 0.461 135 Q N 0.973 120.852 119.800 0.132 0.000 2.297 135 Q HA -0.010 4.338 4.340 0.013 0.000 0.204 135 Q C 0.346 176.399 176.000 0.088 0.000 0.962 135 Q CA 0.721 56.576 55.803 0.087 0.000 0.879 135 Q CB 0.325 29.101 28.738 0.063 0.000 0.947 135 Q HN 0.669 nan 8.270 nan 0.000 0.462 136 E N -2.128 118.150 120.200 0.130 0.000 2.429 136 E HA 0.484 4.842 4.350 0.013 0.000 0.280 136 E C -0.115 176.603 176.600 0.195 0.000 1.068 136 E CA -0.385 56.087 56.400 0.119 0.000 0.837 136 E CB 1.096 30.847 29.700 0.084 0.000 1.357 136 E HN 0.040 nan 8.360 nan 0.000 0.455 137 G N 0.694 109.539 108.800 0.075 0.000 2.645 137 G HA2 -0.287 3.681 3.960 0.013 0.000 0.246 137 G HA3 -0.287 3.681 3.960 0.013 0.000 0.246 137 G C -0.680 174.119 174.900 -0.169 0.000 1.322 137 G CA 0.279 45.334 45.100 -0.076 0.000 0.898 137 G HN 0.759 nan 8.290 nan 0.000 0.573 138 Q N -0.612 118.932 119.800 -0.426 0.000 2.353 138 Q HA 0.636 4.983 4.340 0.013 0.000 0.268 138 Q C -1.048 174.761 176.000 -0.317 0.000 1.045 138 Q CA -0.472 55.181 55.803 -0.250 0.000 0.811 138 Q CB 1.644 30.286 28.738 -0.160 0.000 1.305 138 Q HN 0.630 nan 8.270 nan 0.000 0.447 139 T N 4.699 119.243 114.554 -0.016 0.000 2.791 139 T HA 0.481 4.839 4.350 0.013 0.000 0.288 139 T C -0.634 174.174 174.700 0.179 0.000 0.999 139 T CA -0.661 61.533 62.100 0.157 0.000 0.952 139 T CB 0.603 69.715 68.868 0.407 0.000 0.938 139 T HN 0.634 nan 8.240 nan 0.000 0.444 140 R N 2.898 123.493 120.500 0.159 0.000 2.832 140 R HA 0.789 5.136 4.340 0.013 0.000 0.271 140 R C -1.043 175.357 176.300 0.166 0.000 0.996 140 R CA -0.970 55.224 56.100 0.157 0.000 0.977 140 R CB 1.493 31.859 30.300 0.109 0.000 1.168 140 R HN 0.572 nan 8.270 nan 0.000 0.482 141 I N 2.373 123.048 120.570 0.175 0.000 2.525 141 I HA 0.462 4.640 4.170 0.013 0.000 0.301 141 I C -1.060 175.112 176.117 0.092 0.000 0.992 141 I CA -1.269 60.091 61.300 0.101 0.000 1.162 141 I CB 1.338 39.404 38.000 0.110 0.000 1.332 141 I HN 0.626 nan 8.210 nan 0.000 0.458 142 I N 6.879 127.396 120.570 -0.088 0.000 2.499 142 I HA 0.294 4.472 4.170 0.013 0.000 0.288 142 I C -1.389 174.585 176.117 -0.237 0.000 1.048 142 I CA -0.385 60.887 61.300 -0.047 0.000 1.062 142 I CB 1.763 39.739 38.000 -0.041 0.000 1.238 142 I HN 0.385 nan 8.210 nan 0.000 0.426 143 F N 4.479 124.416 119.950 -0.023 0.000 2.332 143 F HA 0.282 4.817 4.527 0.013 0.000 0.368 143 F C 1.268 176.955 175.800 -0.189 0.000 1.110 143 F CA -0.470 57.443 58.000 -0.145 0.000 1.087 143 F CB 0.897 39.769 39.000 -0.213 0.000 1.235 143 F HN 0.447 nan 8.300 nan 0.000 0.470 144 D N 2.325 122.637 120.400 -0.147 0.000 2.219 144 D HA 0.032 4.680 4.640 0.013 0.000 0.205 144 D C 0.997 177.129 176.300 -0.280 0.000 0.970 144 D CA 0.988 54.859 54.000 -0.215 0.000 0.851 144 D CB 0.356 40.971 40.800 -0.307 0.000 0.943 144 D HN 0.618 nan 8.370 nan 0.000 0.488 145 G N -0.555 108.012 108.800 -0.390 0.000 2.552 145 G HA2 0.452 4.420 3.960 0.013 0.000 0.288 145 G HA3 0.452 4.420 3.960 0.013 0.000 0.288 145 G C -1.494 173.156 174.900 -0.417 0.000 1.358 145 G CA -0.404 44.351 45.100 -0.575 0.000 1.305 145 G HN -0.059 nan 8.290 nan 0.000 0.602 146 V N 2.595 122.475 119.914 -0.057 0.000 2.524 146 V HA 0.513 4.641 4.120 0.013 0.000 0.297 146 V C -0.885 175.298 176.094 0.150 0.000 1.035 146 V CA -1.166 61.100 62.300 -0.056 0.000 0.867 146 V CB 1.905 33.418 31.823 -0.516 0.000 1.004 146 V HN 0.705 nan 8.190 nan 0.000 0.426 147 N N 2.567 121.345 118.700 0.130 0.000 2.443 147 N HA 0.340 5.088 4.740 0.013 0.000 0.269 147 N C 0.579 176.029 175.510 -0.100 0.000 0.985 147 N CA 0.145 53.179 53.050 -0.027 0.000 0.921 147 N CB 2.224 40.531 38.487 -0.301 0.000 1.195 147 N HN 0.671 nan 8.380 nan 0.000 0.492 148 S N 1.866 117.545 115.700 -0.035 0.000 2.526 148 S HA 0.579 5.056 4.470 0.013 0.000 0.220 148 S C 0.287 174.949 174.600 0.103 0.000 1.017 148 S CA 0.024 58.251 58.200 0.045 0.000 0.930 148 S CB 0.356 63.599 63.200 0.071 0.000 0.856 148 S HN 0.662 nan 8.310 nan 0.000 0.497 149 A N 0.914 123.805 122.820 0.119 0.000 2.604 149 A HA 0.754 5.082 4.320 0.013 0.000 0.295 149 A C -1.290 176.373 177.584 0.132 0.000 1.067 149 A CA -0.995 51.066 52.037 0.039 0.000 0.683 149 A CB 0.835 19.897 19.000 0.102 0.000 1.281 149 A HN 1.054 nan 8.150 nan 0.000 0.407 150 F N -0.334 119.404 119.950 -0.354 0.000 2.678 150 F HA 0.732 5.267 4.527 0.013 0.000 0.308 150 F C -1.046 174.617 175.800 -0.230 0.000 1.118 150 F CA -0.811 57.085 58.000 -0.173 0.000 0.959 150 F CB 1.202 40.094 39.000 -0.180 0.000 1.305 150 F HN 0.615 nan 8.300 nan 0.000 0.443 151 H N 2.156 121.356 119.070 0.217 0.000 2.472 151 H HA 0.662 5.226 4.556 0.013 0.000 0.338 151 H C -1.360 173.905 175.328 -0.105 0.000 1.133 151 H CA -0.685 55.363 56.048 -0.000 0.000 1.216 151 H CB 2.496 32.262 29.762 0.007 0.000 1.497 151 H HN 0.775 nan 8.280 nan 0.000 0.500 152 L N 3.381 124.339 121.223 -0.442 0.000 2.362 152 L HA 0.392 4.740 4.340 0.013 0.000 0.275 152 L C -1.534 174.978 176.870 -0.595 0.000 0.998 152 L CA -0.488 54.132 54.840 -0.367 0.000 0.820 152 L CB 1.308 43.044 42.059 -0.538 0.000 1.270 152 L HN 0.509 nan 8.230 nan 0.000 0.415 153 W N 4.544 125.776 121.300 -0.114 0.000 2.736 153 W HA 0.568 5.236 4.660 0.014 0.000 0.335 153 W C -1.092 175.346 176.519 -0.135 0.000 1.059 153 W CA -0.827 56.449 57.345 -0.116 0.000 1.226 153 W CB 2.026 31.460 29.460 -0.044 0.000 1.416 153 W HN 0.568 nan 8.180 nan 0.000 0.505 154 C N 4.923 124.268 119.300 0.076 0.000 2.364 154 C HA 0.294 4.762 4.460 0.013 0.000 0.324 154 C C 0.362 175.465 174.990 0.188 0.000 1.234 154 C CA -0.328 58.743 59.018 0.090 0.000 1.417 154 C CB -0.535 27.188 27.740 -0.029 0.000 2.101 154 C HN 0.805 nan 8.230 nan 0.000 0.466 155 N N 3.511 122.287 118.700 0.127 0.000 2.727 155 N HA -0.191 4.556 4.740 0.013 0.000 0.249 155 N C 0.965 176.539 175.510 0.107 0.000 1.048 155 N CA 2.029 55.134 53.050 0.091 0.000 0.714 155 N CB -1.279 37.272 38.487 0.108 0.000 0.959 155 N HN 1.786 nan 8.380 nan 0.000 0.544 156 G N -1.280 107.576 108.800 0.094 0.000 2.184 156 G HA2 -0.367 3.601 3.960 0.013 0.000 0.264 156 G HA3 -0.367 3.601 3.960 0.013 0.000 0.264 156 G C 0.133 175.193 174.900 0.266 0.000 0.975 156 G CA 0.636 45.785 45.100 0.083 0.000 0.642 156 G HN 0.550 nan 8.290 nan 0.000 0.536 157 R N -1.038 119.686 120.500 0.373 0.000 2.393 157 R HA 0.407 4.754 4.340 0.013 0.000 0.310 157 R C -0.281 176.340 176.300 0.536 0.000 0.968 157 R CA -0.913 55.482 56.100 0.491 0.000 0.867 157 R CB 1.051 31.660 30.300 0.516 0.000 1.124 157 R HN 0.194 nan 8.270 nan 0.000 0.450 158 W N 3.837 125.312 121.300 0.292 0.000 2.308 158 W HA 0.046 4.713 4.660 0.013 0.000 0.324 158 W C 0.106 176.525 176.519 -0.166 0.000 1.387 158 W CA 0.138 57.353 57.345 -0.217 0.000 1.250 158 W CB 0.645 29.987 29.460 -0.197 0.000 1.257 158 W HN 0.344 nan 8.180 nan 0.000 0.554 159 V N 5.368 124.506 119.914 -1.292 0.000 2.743 159 V HA 0.544 4.672 4.120 0.013 0.000 0.237 159 V C 1.079 176.122 176.094 -1.751 0.000 1.113 159 V CA 1.061 62.569 62.300 -1.319 0.000 1.141 159 V CB -0.381 30.710 31.823 -1.220 0.000 0.873 159 V HN 0.812 nan 8.190 nan 0.000 0.486 160 G N -1.781 105.767 108.800 -2.086 0.000 2.341 160 G HA2 0.452 4.420 3.960 0.013 0.000 0.299 160 G HA3 0.452 4.420 3.960 0.013 0.000 0.299 160 G C -2.428 171.984 174.900 -0.812 0.000 1.274 160 G CA -0.251 43.970 45.100 -1.464 0.000 0.853 160 G HN 0.007 nan 8.290 nan 0.000 0.493 161 Y N -0.503 119.498 120.300 -0.498 0.000 2.562 161 Y HA 0.699 5.257 4.550 0.013 0.000 0.345 161 Y C -0.049 175.598 175.900 -0.421 0.000 1.045 161 Y CA -0.003 57.754 58.100 -0.571 0.000 1.028 161 Y CB 2.266 40.544 38.460 -0.303 0.000 1.297 161 Y HN 1.227 nan 8.280 nan 0.000 0.463 162 G N 3.585 111.546 108.800 -1.400 0.000 2.696 162 G HA2 0.588 4.556 3.960 0.013 0.000 0.295 162 G HA3 0.588 4.556 3.960 0.013 0.000 0.295 162 G C -2.112 172.324 174.900 -0.773 0.000 1.398 162 G CA -0.867 43.715 45.100 -0.863 0.000 0.920 162 G HN 0.609 nan 8.290 nan 0.000 0.492 163 Q N -0.274 119.338 119.800 -0.314 0.000 2.552 163 Q HA 0.589 4.937 4.340 0.013 0.000 0.289 163 Q C -1.392 174.615 176.000 0.011 0.000 1.097 163 Q CA -0.835 54.907 55.803 -0.101 0.000 0.812 163 Q CB 2.692 31.419 28.738 -0.018 0.000 1.460 163 Q HN 0.644 nan 8.270 nan 0.000 0.452 164 D N -0.191 120.250 120.400 0.069 0.000 4.303 164 D HA -0.096 4.552 4.640 0.013 0.000 0.230 164 D C -0.481 175.886 176.300 0.111 0.000 1.172 164 D CA 0.449 54.504 54.000 0.090 0.000 1.001 164 D CB -0.662 40.176 40.800 0.062 0.000 0.641 164 D HN 0.534 nan 8.370 nan 0.000 0.296 165 S N 2.975 118.754 115.700 0.132 0.000 2.500 165 S HA -0.092 4.386 4.470 0.013 0.000 0.239 165 S C 1.576 176.315 174.600 0.231 0.000 0.989 165 S CA 0.620 58.930 58.200 0.182 0.000 0.951 165 S CB 0.224 63.493 63.200 0.114 0.000 0.759 165 S HN 0.445 nan 8.310 nan 0.000 0.523 166 R N 0.040 120.634 120.500 0.156 0.000 2.508 166 R HA 0.445 4.793 4.340 0.013 0.000 0.300 166 R C -0.313 176.044 176.300 0.095 0.000 0.970 166 R CA 0.061 56.251 56.100 0.150 0.000 1.102 166 R CB 0.100 30.511 30.300 0.185 0.000 1.246 166 R HN 0.329 nan 8.270 nan 0.000 0.539 167 L N 1.223 122.474 121.223 0.048 0.000 2.350 167 L HA 0.522 4.869 4.340 0.013 0.000 0.260 167 L C -2.390 174.458 176.870 -0.037 0.000 1.015 167 L CA -2.303 52.534 54.840 -0.004 0.000 0.821 167 L CB 2.970 45.019 42.059 -0.016 0.000 1.370 167 L HN -0.202 nan 8.230 nan 0.000 0.416 168 P HA 0.115 nan 4.420 nan 0.000 0.276 168 P C -1.034 176.226 177.300 -0.066 0.000 1.230 168 P CA -0.220 62.831 63.100 -0.082 0.000 0.776 168 P CB 1.184 32.799 31.700 -0.142 0.000 0.888 169 S N 2.127 117.846 115.700 0.031 0.000 2.456 169 S HA 0.302 4.780 4.470 0.013 0.000 0.316 169 S C -0.383 174.173 174.600 -0.074 0.000 1.089 169 S CA -0.600 57.585 58.200 -0.026 0.000 1.101 169 S CB 0.807 64.173 63.200 0.277 0.000 0.995 169 S HN 0.370 nan 8.310 nan 0.000 0.468 170 E N 2.221 122.174 120.200 -0.410 0.000 2.199 170 E HA 0.561 4.919 4.350 0.013 0.000 0.269 170 E C -1.393 174.833 176.600 -0.623 0.000 0.899 170 E CA -0.559 55.676 56.400 -0.274 0.000 0.772 170 E CB 1.743 31.384 29.700 -0.099 0.000 1.155 170 E HN 0.408 nan 8.360 nan 0.000 0.408 171 F N 0.646 120.647 119.950 0.085 0.000 2.565 171 F HA 0.199 4.734 4.527 0.014 0.000 0.313 171 F C 0.002 175.826 175.800 0.039 0.000 1.091 171 F CA -1.089 56.924 58.000 0.021 0.000 0.915 171 F CB 1.736 40.717 39.000 -0.033 0.000 1.208 171 F HN 0.298 nan 8.300 nan 0.000 0.453 172 D N 2.807 123.338 120.400 0.217 0.000 2.295 172 D HA 0.250 4.898 4.640 0.013 0.000 0.248 172 D C 0.206 176.649 176.300 0.239 0.000 1.154 172 D CA 0.190 54.301 54.000 0.185 0.000 0.857 172 D CB 1.097 41.986 40.800 0.149 0.000 1.117 172 D HN 0.561 nan 8.370 nan 0.000 0.468 173 L N 2.839 124.207 121.223 0.241 0.000 2.667 173 L HA 0.046 4.394 4.340 0.013 0.000 0.232 173 L C 2.083 179.185 176.870 0.386 0.000 1.138 173 L CA -0.193 54.837 54.840 0.316 0.000 0.921 173 L CB 0.057 42.262 42.059 0.243 0.000 1.180 173 L HN 0.284 nan 8.230 nan 0.000 0.487 174 S N 1.463 117.328 115.700 0.276 0.000 2.381 174 S HA -0.294 4.184 4.470 0.013 0.000 0.230 174 S C 2.027 176.731 174.600 0.173 0.000 1.052 174 S CA 1.941 60.260 58.200 0.200 0.000 1.068 174 S CB -0.173 63.101 63.200 0.123 0.000 0.918 174 S HN 0.575 nan 8.310 nan 0.000 0.448 175 A N -0.701 122.205 122.820 0.143 0.000 2.238 175 A HA 0.322 4.650 4.320 0.013 0.000 0.208 175 A C 1.294 178.795 177.584 -0.139 0.000 1.177 175 A CA 0.348 52.360 52.037 -0.042 0.000 0.804 175 A CB -0.432 18.446 19.000 -0.204 0.000 0.823 175 A HN 0.485 nan 8.150 nan 0.000 0.482 176 F N -0.834 119.157 119.950 0.069 0.000 2.717 176 F HA 0.367 4.902 4.527 0.013 0.000 0.297 176 F C 0.678 176.514 175.800 0.060 0.000 1.113 176 F CA -0.120 57.919 58.000 0.065 0.000 1.319 176 F CB 0.159 39.204 39.000 0.075 0.000 1.097 176 F HN -0.016 nan 8.300 nan 0.000 0.595 177 L N 0.679 122.056 121.223 0.257 0.000 2.431 177 L HA 0.563 4.911 4.340 0.013 0.000 0.260 177 L C 0.075 176.989 176.870 0.074 0.000 1.098 177 L CA -0.812 54.119 54.840 0.152 0.000 0.800 177 L CB 1.166 43.324 42.059 0.166 0.000 1.210 177 L HN -0.001 nan 8.230 nan 0.000 0.465 178 R N 0.463 120.970 120.500 0.011 0.000 2.774 178 R HA 0.787 5.135 4.340 0.013 0.000 0.272 178 R C -1.183 175.096 176.300 -0.035 0.000 1.000 178 R CA -0.915 55.184 56.100 -0.002 0.000 0.906 178 R CB 1.440 31.732 30.300 -0.013 0.000 1.227 178 R HN 0.553 nan 8.270 nan 0.000 0.468 179 A N 1.217 124.025 122.820 -0.021 0.000 2.531 179 A HA 0.464 4.791 4.320 0.013 0.000 0.236 179 A C 1.109 178.645 177.584 -0.081 0.000 1.062 179 A CA 1.212 53.225 52.037 -0.041 0.000 0.760 179 A CB -0.845 18.143 19.000 -0.019 0.000 0.995 179 A HN 1.466 nan 8.150 nan 0.000 0.501 180 G N 1.648 110.380 108.800 -0.112 0.000 2.503 180 G HA2 -0.157 3.810 3.960 0.013 0.000 0.235 180 G HA3 -0.157 3.810 3.960 0.013 0.000 0.235 180 G C -0.242 174.529 174.900 -0.215 0.000 1.179 180 G CA 0.109 45.127 45.100 -0.136 0.000 0.944 180 G HN 1.020 nan 8.290 nan 0.000 0.580 181 E N 1.687 121.768 120.200 -0.198 0.000 2.344 181 E HA 0.420 4.778 4.350 0.013 0.000 0.270 181 E C -0.045 176.355 176.600 -0.333 0.000 1.021 181 E CA -0.019 56.222 56.400 -0.264 0.000 0.887 181 E CB 0.507 30.103 29.700 -0.174 0.000 0.997 181 E HN 0.426 nan 8.360 nan 0.000 0.429 182 N N 2.231 120.587 118.700 -0.574 0.000 2.284 182 N HA 0.357 5.105 4.740 0.013 0.000 0.289 182 N C -1.111 174.140 175.510 -0.432 0.000 1.179 182 N CA -0.726 51.986 53.050 -0.563 0.000 0.774 182 N CB 2.509 40.482 38.487 -0.857 0.000 1.548 182 N HN 0.309 nan 8.380 nan 0.000 0.473 183 R N 1.740 122.177 120.500 -0.105 0.000 2.513 183 R HA 0.495 4.843 4.340 0.013 0.000 0.301 183 R C -1.169 175.222 176.300 0.150 0.000 0.968 183 R CA -0.493 55.636 56.100 0.048 0.000 0.872 183 R CB 1.010 31.288 30.300 -0.036 0.000 1.177 183 R HN 0.481 nan 8.270 nan 0.000 0.444 184 L N 2.875 124.220 121.223 0.203 0.000 2.379 184 L HA 0.758 5.106 4.340 0.013 0.000 0.269 184 L C -0.188 176.724 176.870 0.071 0.000 1.084 184 L CA -0.948 53.987 54.840 0.159 0.000 0.802 184 L CB 1.840 43.980 42.059 0.135 0.000 1.175 184 L HN 0.782 nan 8.230 nan 0.000 0.448 185 A N 2.278 125.149 122.820 0.085 0.000 2.375 185 A HA 0.726 5.054 4.320 0.013 0.000 0.295 185 A C -1.154 176.649 177.584 0.366 0.000 1.066 185 A CA -0.430 51.549 52.037 -0.096 0.000 0.722 185 A CB 1.542 19.997 19.000 -0.908 0.000 1.206 185 A HN 0.353 nan 8.150 nan 0.000 0.435 186 V N 3.167 123.477 119.914 0.659 0.000 2.443 186 V HA 0.505 4.633 4.120 0.013 0.000 0.293 186 V C -0.112 176.495 176.094 0.855 0.000 1.021 186 V CA -0.301 62.390 62.300 0.652 0.000 0.848 186 V CB 1.563 33.587 31.823 0.333 0.000 0.998 186 V HN 0.960 nan 8.190 nan 0.000 0.424 187 M N 5.966 126.087 119.600 0.868 0.000 2.047 187 M HA 0.556 5.044 4.480 0.013 0.000 0.342 187 M C -1.441 175.118 176.300 0.432 0.000 1.058 187 M CA -0.402 55.262 55.300 0.606 0.000 0.991 187 M CB 1.102 34.119 32.600 0.695 0.000 1.474 187 M HN 0.484 nan 8.290 nan 0.000 0.419 188 V N 6.816 126.941 119.914 0.351 0.000 2.370 188 V HA 0.351 4.479 4.120 0.013 0.000 0.279 188 V C -0.103 176.148 176.094 0.262 0.000 1.029 188 V CA -0.638 61.870 62.300 0.347 0.000 0.870 188 V CB 1.235 33.347 31.823 0.482 0.000 0.984 188 V HN 0.791 nan 8.190 nan 0.000 0.451 189 L N 5.134 126.444 121.223 0.145 0.000 2.276 189 L HA 0.488 4.836 4.340 0.013 0.000 0.286 189 L C 1.608 178.497 176.870 0.031 0.000 1.061 189 L CA -0.244 54.610 54.840 0.023 0.000 0.807 189 L CB 0.849 42.824 42.059 -0.140 0.000 1.177 189 L HN 0.635 nan 8.230 nan 0.000 0.429 190 R N 3.030 123.500 120.500 -0.050 0.000 2.075 190 R HA -0.057 4.291 4.340 0.013 0.000 0.232 190 R C -0.338 175.646 176.300 -0.528 0.000 1.126 190 R CA 1.144 56.978 56.100 -0.443 0.000 0.963 190 R CB 0.200 30.096 30.300 -0.674 0.000 0.858 190 R HN 0.576 nan 8.270 nan 0.000 0.435 191 W N 0.490 121.853 121.300 0.105 0.000 2.606 191 W HA 0.429 5.096 4.660 0.013 0.000 0.332 191 W C -0.333 176.303 176.519 0.195 0.000 1.052 191 W CA -0.802 56.615 57.345 0.120 0.000 1.223 191 W CB 1.755 31.289 29.460 0.123 0.000 1.383 191 W HN 0.031 nan 8.180 nan 0.000 0.524 192 S N -0.974 115.015 115.700 0.483 0.000 2.672 192 S HA 0.194 4.672 4.470 0.013 0.000 0.271 192 S C 0.055 174.922 174.600 0.445 0.000 1.171 192 S CA -0.479 58.023 58.200 0.504 0.000 0.817 192 S CB 1.132 64.599 63.200 0.445 0.000 1.150 192 S HN 0.619 nan 8.310 nan 0.000 0.478 193 D N 0.283 120.948 120.400 0.442 0.000 2.309 193 D HA 0.088 4.736 4.640 0.013 0.000 0.212 193 D C 1.734 178.350 176.300 0.527 0.000 0.968 193 D CA 1.082 55.387 54.000 0.509 0.000 0.882 193 D CB -0.649 40.327 40.800 0.294 0.000 0.918 193 D HN 0.697 nan 8.370 nan 0.000 0.503 194 G N 0.173 109.202 108.800 0.381 0.000 2.448 194 G HA2 -0.255 3.713 3.960 0.013 0.000 0.219 194 G HA3 -0.255 3.713 3.960 0.013 0.000 0.219 194 G C 1.709 176.799 174.900 0.317 0.000 1.127 194 G CA 0.662 45.958 45.100 0.326 0.000 0.766 194 G HN 0.304 nan 8.290 nan 0.000 0.552 195 S N 0.008 115.883 115.700 0.292 0.000 2.400 195 S HA -0.126 4.352 4.470 0.013 0.000 0.232 195 S C 1.911 176.610 174.600 0.166 0.000 1.025 195 S CA 0.852 59.188 58.200 0.226 0.000 0.993 195 S CB -0.416 62.921 63.200 0.229 0.000 0.808 195 S HN 0.557 nan 8.310 nan 0.000 0.478 196 Y N 1.127 121.553 120.300 0.210 0.000 2.421 196 Y HA 0.075 4.633 4.550 0.013 0.000 0.292 196 Y C 1.611 177.616 175.900 0.175 0.000 1.136 196 Y CA 0.619 58.762 58.100 0.071 0.000 1.255 196 Y CB -0.205 38.133 38.460 -0.203 0.000 0.991 196 Y HN 0.200 nan 8.280 nan 0.000 0.552 197 L N -0.303 121.118 121.223 0.330 0.000 2.667 197 L HA 0.121 4.469 4.340 0.013 0.000 0.232 197 L C 0.052 177.059 176.870 0.228 0.000 1.138 197 L CA 0.409 55.397 54.840 0.247 0.000 0.921 197 L CB 0.055 42.264 42.059 0.250 0.000 1.180 197 L HN 0.148 nan 8.230 nan 0.000 0.487 198 E N -0.047 120.299 120.200 0.243 0.000 3.388 198 E HA 0.038 4.396 4.350 0.013 0.000 0.214 198 E C -0.462 176.236 176.600 0.162 0.000 1.040 198 E CA -0.077 56.447 56.400 0.207 0.000 1.327 198 E CB 0.458 30.274 29.700 0.193 0.000 1.243 198 E HN 0.036 nan 8.360 nan 0.000 0.444 199 D N 1.153 121.601 120.400 0.079 0.000 2.706 199 D HA 0.032 4.680 4.640 0.013 0.000 0.236 199 D C -0.203 176.059 176.300 -0.064 0.000 1.231 199 D CA -0.116 53.811 54.000 -0.122 0.000 0.828 199 D CB 0.141 40.596 40.800 -0.575 0.000 1.015 199 D HN 0.050 nan 8.370 nan 0.000 0.484 200 Q N 0.321 120.186 119.800 0.107 0.000 2.421 200 Q HA 0.140 4.487 4.340 0.013 0.000 0.255 200 Q C -0.112 175.985 176.000 0.162 0.000 1.013 200 Q CA -0.032 55.897 55.803 0.209 0.000 0.895 200 Q CB 0.623 29.662 28.738 0.502 0.000 1.271 200 Q HN 0.055 nan 8.270 nan 0.000 0.460 201 D N 2.652 123.166 120.400 0.189 0.000 2.489 201 D HA 0.156 4.804 4.640 0.013 0.000 0.237 201 D C -0.817 175.613 176.300 0.216 0.000 1.212 201 D CA 0.185 54.284 54.000 0.165 0.000 1.058 201 D CB -0.468 40.411 40.800 0.132 0.000 1.098 201 D HN 0.487 nan 8.370 nan 0.000 0.509 202 M N 0.174 119.873 119.600 0.166 0.000 3.084 202 M HA 0.397 4.885 4.480 0.013 0.000 0.273 202 M C -1.298 175.078 176.300 0.127 0.000 1.242 202 M CA -1.167 54.154 55.300 0.035 0.000 0.819 202 M CB 1.076 33.609 32.600 -0.111 0.000 1.625 202 M HN -0.105 nan 8.290 nan 0.000 0.493 203 W N 2.001 123.376 121.300 0.125 0.000 2.223 203 W HA 0.311 4.979 4.660 0.013 0.000 0.334 203 W C 0.296 176.834 176.519 0.031 0.000 1.334 203 W CA -0.062 57.355 57.345 0.120 0.000 1.246 203 W CB 0.373 29.844 29.460 0.018 0.000 1.184 203 W HN 0.288 nan 8.180 nan 0.000 0.563 204 R N 4.928 125.613 120.500 0.308 0.000 2.248 204 R HA 0.342 4.690 4.340 0.013 0.000 0.337 204 R C -0.079 176.230 176.300 0.015 0.000 1.106 204 R CA -0.028 56.171 56.100 0.165 0.000 0.959 204 R CB -0.161 30.309 30.300 0.283 0.000 1.075 204 R HN 0.556 nan 8.270 nan 0.000 0.480 205 M N 0.197 119.694 119.600 -0.173 0.000 2.739 205 M HA 0.515 5.003 4.480 0.013 0.000 0.284 205 M C 0.056 176.003 176.300 -0.588 0.000 1.103 205 M CA -0.837 54.238 55.300 -0.375 0.000 0.809 205 M CB 2.106 34.480 32.600 -0.375 0.000 1.708 205 M HN 0.589 nan 8.290 nan 0.000 0.481 206 S N -1.241 113.978 115.700 -0.801 0.000 2.611 206 S HA 0.934 5.412 4.470 0.013 0.000 0.268 206 S C -0.633 173.473 174.600 -0.822 0.000 1.156 206 S CA -0.194 57.462 58.200 -0.907 0.000 0.817 206 S CB 1.773 64.265 63.200 -1.180 0.000 1.122 206 S HN 1.463 nan 8.310 nan 0.000 0.466 207 G N -0.040 108.548 108.800 -0.353 0.000 2.343 207 G HA2 0.185 4.153 3.960 0.013 0.000 0.465 207 G HA3 0.185 4.153 3.960 0.013 0.000 0.465 207 G C -1.419 173.504 174.900 0.037 0.000 1.282 207 G CA -0.639 44.550 45.100 0.148 0.000 0.996 207 G HN 1.155 nan 8.290 nan 0.000 0.521 208 I N 2.010 122.440 120.570 -0.235 0.000 2.241 208 I HA 0.275 4.453 4.170 0.013 0.000 0.294 208 I C 1.118 177.109 176.117 -0.210 0.000 1.145 208 I CA -0.198 60.867 61.300 -0.391 0.000 1.261 208 I CB -0.207 37.293 38.000 -0.833 0.000 1.475 208 I HN 0.515 nan 8.210 nan 0.000 0.533 209 F N 4.255 124.054 119.950 -0.252 0.000 2.695 209 F HA 0.464 4.998 4.527 0.013 0.000 0.303 209 F C 0.685 176.402 175.800 -0.138 0.000 1.091 209 F CA -0.577 57.308 58.000 -0.191 0.000 1.300 209 F CB 0.128 39.019 39.000 -0.181 0.000 1.071 209 F HN 0.128 nan 8.300 nan 0.000 0.578 210 R N 0.475 120.518 120.500 -0.761 0.000 2.939 210 R HA 0.255 4.603 4.340 0.013 0.000 0.254 210 R C -0.724 175.353 176.300 -0.371 0.000 1.123 210 R CA -1.175 54.592 56.100 -0.556 0.000 1.020 210 R CB 0.687 30.584 30.300 -0.671 0.000 1.206 210 R HN -0.032 nan 8.270 nan 0.000 0.491 211 D N 0.664 120.889 120.400 -0.292 0.000 2.419 211 D HA 0.097 4.745 4.640 0.013 0.000 0.236 211 D C -0.513 175.629 176.300 -0.263 0.000 1.165 211 D CA 0.395 54.263 54.000 -0.221 0.000 0.882 211 D CB 0.760 41.462 40.800 -0.163 0.000 1.201 211 D HN -0.014 nan 8.370 nan 0.000 0.443 212 V N 1.166 120.933 119.914 -0.246 0.000 2.495 212 V HA 0.562 4.690 4.120 0.013 0.000 0.298 212 V C 0.127 176.084 176.094 -0.230 0.000 1.031 212 V CA -0.523 61.564 62.300 -0.355 0.000 0.871 212 V CB 1.605 33.212 31.823 -0.359 0.000 0.988 212 V HN 0.754 nan 8.190 nan 0.000 0.432 213 S N 4.601 120.150 115.700 -0.250 0.000 2.651 213 S HA 0.867 5.345 4.470 0.013 0.000 0.279 213 S C -1.528 173.021 174.600 -0.085 0.000 1.148 213 S CA -0.845 57.282 58.200 -0.121 0.000 0.837 213 S CB 2.127 65.291 63.200 -0.060 0.000 1.138 213 S HN 0.410 nan 8.310 nan 0.000 0.478 214 L N 1.408 122.647 121.223 0.027 0.000 2.356 214 L HA 0.751 5.099 4.340 0.013 0.000 0.277 214 L C -1.412 175.654 176.870 0.327 0.000 0.996 214 L CA -0.719 54.218 54.840 0.161 0.000 0.822 214 L CB 1.518 43.674 42.059 0.162 0.000 1.256 214 L HN 0.839 nan 8.230 nan 0.000 0.413 215 L N 4.398 125.786 121.223 0.275 0.000 2.356 215 L HA 0.481 4.828 4.340 0.013 0.000 0.277 215 L C -0.960 175.928 176.870 0.030 0.000 0.996 215 L CA -0.197 54.737 54.840 0.157 0.000 0.822 215 L CB 1.224 43.335 42.059 0.088 0.000 1.256 215 L HN 0.589 nan 8.230 nan 0.000 0.413 216 H N 5.444 124.288 119.070 -0.377 0.000 2.517 216 H HA 0.461 5.025 4.556 0.013 0.000 0.317 216 H C -1.186 173.935 175.328 -0.345 0.000 1.080 216 H CA -0.446 55.253 56.048 -0.582 0.000 1.301 216 H CB 1.054 29.938 29.762 -1.465 0.000 1.425 216 H HN 0.522 nan 8.280 nan 0.000 0.471 217 K N 5.262 125.314 120.400 -0.580 0.000 2.340 217 K HA 0.394 4.722 4.320 0.013 0.000 0.244 217 K C -2.689 173.694 176.600 -0.362 0.000 0.973 217 K CA -2.041 54.051 56.287 -0.324 0.000 0.828 217 K CB 2.096 34.463 32.500 -0.223 0.000 1.226 217 K HN 0.479 nan 8.250 nan 0.000 0.437 218 P HA 0.170 nan 4.420 nan 0.000 0.274 218 P C 0.512 177.749 177.300 -0.106 0.000 1.246 218 P CA -0.180 62.865 63.100 -0.093 0.000 0.795 218 P CB 0.498 32.174 31.700 -0.040 0.000 1.006 219 T N -0.876 113.639 114.554 -0.065 0.000 2.720 219 T HA -0.072 4.286 4.350 0.013 0.000 0.268 219 T C 0.613 175.280 174.700 -0.055 0.000 1.037 219 T CA 1.665 63.733 62.100 -0.054 0.000 1.144 219 T CB -0.668 68.185 68.868 -0.025 0.000 0.864 219 T HN 0.433 nan 8.240 nan 0.000 0.444 220 T N 3.735 118.263 114.554 -0.045 0.000 2.738 220 T HA 0.446 4.804 4.350 0.013 0.000 0.298 220 T C -0.200 174.461 174.700 -0.064 0.000 0.962 220 T CA -0.583 61.483 62.100 -0.058 0.000 0.972 220 T CB 0.551 69.401 68.868 -0.029 0.000 0.928 220 T HN 0.487 nan 8.240 nan 0.000 0.474 221 Q N 2.486 122.233 119.800 -0.088 0.000 2.565 221 Q HA 0.593 4.941 4.340 0.013 0.000 0.294 221 Q C -1.266 174.678 176.000 -0.093 0.000 1.005 221 Q CA -1.164 54.580 55.803 -0.099 0.000 0.771 221 Q CB 1.302 29.966 28.738 -0.123 0.000 1.486 221 Q HN 0.449 nan 8.270 nan 0.000 0.422 222 I N 2.707 123.196 120.570 -0.135 0.000 2.363 222 I HA 0.022 4.200 4.170 0.013 0.000 0.292 222 I C 0.825 176.879 176.117 -0.104 0.000 1.075 222 I CA 0.026 61.267 61.300 -0.098 0.000 1.333 222 I CB 1.063 38.949 38.000 -0.191 0.000 1.415 222 I HN 0.868 nan 8.210 nan 0.000 0.502 223 S N 2.826 118.574 115.700 0.080 0.000 2.503 223 S HA 0.170 4.648 4.470 0.013 0.000 0.215 223 S C 0.233 175.061 174.600 0.380 0.000 1.003 223 S CA -0.194 58.124 58.200 0.196 0.000 0.910 223 S CB 0.239 63.498 63.200 0.098 0.000 0.790 223 S HN 0.714 nan 8.310 nan 0.000 0.514 224 D N -0.371 120.259 120.400 0.383 0.000 2.728 224 D HA 0.493 5.141 4.640 0.013 0.000 0.249 224 D C -1.895 174.623 176.300 0.363 0.000 1.225 224 D CA -0.734 53.494 54.000 0.381 0.000 0.748 224 D CB 1.417 42.327 40.800 0.182 0.000 1.326 224 D HN 0.216 nan 8.370 nan 0.000 0.426 225 F N -0.699 119.362 119.950 0.186 0.000 2.650 225 F HA 0.602 5.137 4.527 0.013 0.000 0.310 225 F C -1.507 174.418 175.800 0.209 0.000 1.112 225 F CA -0.808 57.228 58.000 0.060 0.000 0.986 225 F CB 1.308 40.362 39.000 0.089 0.000 1.285 225 F HN 0.241 nan 8.300 nan 0.000 0.440 226 H N 1.771 120.906 119.070 0.110 0.000 2.589 226 H HA 0.729 5.293 4.556 0.013 0.000 0.351 226 H C -1.332 174.032 175.328 0.060 0.000 1.074 226 H CA -1.472 54.571 56.048 -0.009 0.000 1.203 226 H CB 2.716 32.462 29.762 -0.026 0.000 1.558 226 H HN 0.595 nan 8.280 nan 0.000 0.522 227 V N 2.370 122.375 119.914 0.151 0.000 2.417 227 V HA 0.640 4.768 4.120 0.013 0.000 0.291 227 V C -0.182 175.906 176.094 -0.010 0.000 1.024 227 V CA -0.540 61.808 62.300 0.079 0.000 0.861 227 V CB 1.285 33.157 31.823 0.081 0.000 0.985 227 V HN 0.914 nan 8.190 nan 0.000 0.436 228 A N 3.318 126.111 122.820 -0.045 0.000 2.413 228 A HA 0.963 5.291 4.320 0.013 0.000 0.307 228 A C -0.138 177.342 177.584 -0.173 0.000 1.087 228 A CA -0.516 51.472 52.037 -0.082 0.000 0.750 228 A CB 1.998 20.974 19.000 -0.041 0.000 1.296 228 A HN 0.927 nan 8.150 nan 0.000 0.423 229 T N -0.197 114.235 114.554 -0.204 0.000 2.890 229 T HA 0.729 5.087 4.350 0.013 0.000 0.295 229 T C -0.571 173.923 174.700 -0.344 0.000 0.993 229 T CA -0.676 61.207 62.100 -0.362 0.000 0.979 229 T CB 0.927 69.446 68.868 -0.582 0.000 0.967 229 T HN 0.699 nan 8.240 nan 0.000 0.441 230 R N 1.941 122.162 120.500 -0.465 0.000 2.778 230 R HA 0.815 5.163 4.340 0.013 0.000 0.277 230 R C -1.169 174.725 176.300 -0.677 0.000 0.977 230 R CA -0.750 55.145 56.100 -0.341 0.000 0.950 230 R CB 1.578 31.790 30.300 -0.146 0.000 1.165 230 R HN 0.547 nan 8.270 nan 0.000 0.474 231 F N 0.318 120.244 119.950 -0.041 0.000 2.611 231 F HA 0.375 4.909 4.527 0.012 0.000 0.324 231 F C 0.444 176.100 175.800 -0.240 0.000 1.061 231 F CA -1.139 56.772 58.000 -0.148 0.000 0.954 231 F CB 1.103 39.872 39.000 -0.385 0.000 1.301 231 F HN 0.535 nan 8.300 nan 0.000 0.482 232 N N 0.020 118.692 118.700 -0.045 0.000 2.364 232 N HA 0.050 4.798 4.740 0.013 0.000 0.264 232 N C 0.489 175.860 175.510 -0.232 0.000 1.263 232 N CA -0.141 52.851 53.050 -0.097 0.000 0.959 232 N CB 0.158 38.618 38.487 -0.045 0.000 1.204 232 N HN 0.687 nan 8.380 nan 0.000 0.550 233 D N -1.077 119.237 120.400 -0.144 0.000 2.158 233 D HA -0.257 4.391 4.640 0.013 0.000 0.197 233 D C 0.213 176.442 176.300 -0.118 0.000 0.995 233 D CA 1.718 55.640 54.000 -0.131 0.000 0.846 233 D CB -0.544 40.236 40.800 -0.035 0.000 0.941 233 D HN 0.742 nan 8.370 nan 0.000 0.456 234 D N -1.827 118.549 120.400 -0.041 0.000 2.501 234 D HA 0.055 4.702 4.640 0.013 0.000 0.226 234 D C 0.047 176.519 176.300 0.286 0.000 1.198 234 D CA -1.015 53.073 54.000 0.146 0.000 0.830 234 D CB -1.082 39.797 40.800 0.132 0.000 1.014 234 D HN 0.201 nan 8.370 nan 0.000 0.496 235 F N 0.356 120.371 119.950 0.110 0.000 3.034 235 F HA -0.300 4.234 4.527 0.012 0.000 0.286 235 F C 1.667 177.558 175.800 0.151 0.000 0.804 235 F CA 0.852 58.933 58.000 0.136 0.000 1.161 235 F CB -2.485 36.483 39.000 -0.053 0.000 1.317 235 F HN 0.225 nan 8.300 nan 0.000 0.453 236 S N -1.406 114.416 115.700 0.203 0.000 2.528 236 S HA 0.264 4.742 4.470 0.013 0.000 0.219 236 S C 0.683 175.349 174.600 0.110 0.000 0.985 236 S CA 0.040 58.327 58.200 0.145 0.000 0.914 236 S CB 0.420 63.675 63.200 0.092 0.000 0.776 236 S HN 0.462 nan 8.310 nan 0.000 0.526 237 R N 0.130 120.698 120.500 0.114 0.000 2.725 237 R HA 0.816 5.163 4.340 0.013 0.000 0.277 237 R C -1.241 175.086 176.300 0.045 0.000 0.987 237 R CA -0.270 55.860 56.100 0.049 0.000 0.901 237 R CB 2.267 32.570 30.300 0.005 0.000 1.207 237 R HN 0.269 nan 8.270 nan 0.000 0.463 238 A N 1.468 124.255 122.820 -0.055 0.000 2.566 238 A HA 0.774 5.101 4.320 0.013 0.000 0.292 238 A C -1.428 176.069 177.584 -0.145 0.000 1.112 238 A CA -0.653 51.255 52.037 -0.216 0.000 0.707 238 A CB 2.056 20.927 19.000 -0.215 0.000 1.302 238 A HN 0.344 nan 8.150 nan 0.000 0.409 239 V N 1.197 121.000 119.914 -0.186 0.000 2.531 239 V HA 0.444 4.572 4.120 0.013 0.000 0.301 239 V C -0.669 175.359 176.094 -0.111 0.000 1.034 239 V CA -0.353 61.883 62.300 -0.108 0.000 0.865 239 V CB 1.470 33.230 31.823 -0.106 0.000 0.995 239 V HN 0.819 nan 8.190 nan 0.000 0.424 240 L N 5.057 126.254 121.223 -0.043 0.000 2.275 240 L HA 0.591 4.939 4.340 0.013 0.000 0.288 240 L C -0.088 176.739 176.870 -0.071 0.000 1.046 240 L CA 0.148 54.938 54.840 -0.083 0.000 0.805 240 L CB 0.822 42.869 42.059 -0.021 0.000 1.193 240 L HN 0.654 nan 8.230 nan 0.000 0.426 241 E N 4.726 124.880 120.200 -0.077 0.000 2.176 241 E HA 0.629 4.986 4.350 0.013 0.000 0.267 241 E C -1.151 175.437 176.600 -0.019 0.000 0.893 241 E CA -0.849 55.524 56.400 -0.046 0.000 0.761 241 E CB 2.077 31.751 29.700 -0.043 0.000 1.133 241 E HN 0.681 nan 8.360 nan 0.000 0.409 242 A N 3.387 126.202 122.820 -0.008 0.000 2.335 242 A HA 0.313 4.640 4.320 0.013 0.000 0.304 242 A C -0.597 176.991 177.584 0.006 0.000 1.118 242 A CA -0.648 51.409 52.037 0.034 0.000 0.757 242 A CB 1.012 20.035 19.000 0.037 0.000 1.188 242 A HN 0.672 nan 8.150 nan 0.000 0.460 243 E N 2.518 122.721 120.200 0.005 0.000 2.174 243 E HA 0.552 4.909 4.350 0.013 0.000 0.282 243 E C -1.326 175.235 176.600 -0.066 0.000 0.992 243 E CA -0.371 55.987 56.400 -0.071 0.000 0.803 243 E CB 1.149 30.760 29.700 -0.148 0.000 1.090 243 E HN 0.388 nan 8.360 nan 0.000 0.396 244 V N 4.732 124.620 119.914 -0.044 0.000 2.604 244 V HA 0.291 4.419 4.120 0.013 0.000 0.305 244 V C -0.490 175.670 176.094 0.110 0.000 1.043 244 V CA -0.832 61.493 62.300 0.042 0.000 0.888 244 V CB 1.708 33.540 31.823 0.015 0.000 0.995 244 V HN 0.737 nan 8.190 nan 0.000 0.429 245 Q N 4.167 124.047 119.800 0.133 0.000 2.345 245 Q HA 0.845 5.192 4.340 0.013 0.000 0.268 245 Q C -0.837 175.255 176.000 0.153 0.000 1.054 245 Q CA -0.898 54.994 55.803 0.148 0.000 0.835 245 Q CB 2.621 31.374 28.738 0.025 0.000 1.339 245 Q HN 0.801 nan 8.270 nan 0.000 0.447 246 M N -0.885 118.739 119.600 0.040 0.000 2.716 246 M HA 0.766 5.254 4.480 0.013 0.000 0.307 246 M C -1.278 174.949 176.300 -0.121 0.000 1.223 246 M CA -0.542 54.695 55.300 -0.105 0.000 0.871 246 M CB 1.602 33.939 32.600 -0.438 0.000 1.739 246 M HN 0.543 nan 8.290 nan 0.000 0.475 247 C N 0.564 119.799 119.300 -0.108 0.000 2.707 247 C HA 1.019 5.486 4.460 0.013 0.000 0.313 247 C C 0.745 175.669 174.990 -0.109 0.000 1.209 247 C CA 0.727 59.694 59.018 -0.084 0.000 1.635 247 C CB 1.030 28.747 27.740 -0.038 0.000 2.206 247 C HN 1.385 nan 8.230 nan 0.000 0.485 248 G N 1.588 110.332 108.800 -0.093 0.000 2.418 248 G HA2 -0.091 3.877 3.960 0.013 0.000 0.206 248 G HA3 -0.091 3.877 3.960 0.013 0.000 0.206 248 G C -0.625 174.215 174.900 -0.101 0.000 1.202 248 G CA -0.437 44.612 45.100 -0.085 0.000 1.061 248 G HN 0.853 nan 8.290 nan 0.000 0.563 249 E N 0.817 120.965 120.200 -0.086 0.000 1.985 249 E HA 0.337 4.695 4.350 0.013 0.000 0.268 249 E C 0.221 176.726 176.600 -0.159 0.000 1.219 249 E CA -0.234 56.117 56.400 -0.083 0.000 0.942 249 E CB -0.098 29.593 29.700 -0.015 0.000 1.045 249 E HN 0.379 nan 8.360 nan 0.000 0.413 250 L N 5.745 126.856 121.223 -0.187 0.000 2.278 250 L HA 0.293 4.641 4.340 0.013 0.000 0.287 250 L C -0.111 176.599 176.870 -0.267 0.000 1.072 250 L CA -0.076 54.608 54.840 -0.260 0.000 0.819 250 L CB 0.121 42.054 42.059 -0.210 0.000 1.176 250 L HN 0.427 nan 8.230 nan 0.000 0.435 251 R N 2.490 122.741 120.500 -0.415 0.000 2.774 251 R HA 0.212 4.560 4.340 0.013 0.000 0.272 251 R C -0.175 175.797 176.300 -0.546 0.000 1.000 251 R CA -0.849 54.921 56.100 -0.549 0.000 0.906 251 R CB 1.349 30.993 30.300 -1.092 0.000 1.227 251 R HN 0.471 nan 8.270 nan 0.000 0.468 252 D N 0.900 121.092 120.400 -0.346 0.000 2.218 252 D HA -0.143 4.505 4.640 0.013 0.000 0.204 252 D C 1.527 177.754 176.300 -0.121 0.000 0.976 252 D CA 1.622 55.525 54.000 -0.163 0.000 0.853 252 D CB 0.102 40.868 40.800 -0.057 0.000 0.939 252 D HN 0.548 nan 8.370 nan 0.000 0.481 253 Y N -0.160 120.149 120.300 0.016 0.000 2.546 253 Y HA 0.251 4.809 4.550 0.013 0.000 0.287 253 Y C 0.802 176.708 175.900 0.011 0.000 1.158 253 Y CA -0.439 57.669 58.100 0.014 0.000 1.307 253 Y CB -0.955 37.513 38.460 0.013 0.000 1.036 253 Y HN -0.190 nan 8.280 nan 0.000 0.532 254 L N 2.284 123.468 121.223 -0.064 0.000 2.436 254 L HA 0.367 4.715 4.340 0.013 0.000 0.265 254 L C 0.215 177.125 176.870 0.067 0.000 1.168 254 L CA -0.307 54.599 54.840 0.111 0.000 0.815 254 L CB 0.523 42.618 42.059 0.060 0.000 1.109 254 L HN 0.123 nan 8.230 nan 0.000 0.462 255 R N 1.202 121.641 120.500 -0.101 0.000 2.764 255 R HA 0.661 5.009 4.340 0.013 0.000 0.270 255 R C -1.588 174.445 176.300 -0.445 0.000 1.014 255 R CA -0.796 55.107 56.100 -0.328 0.000 0.904 255 R CB 2.025 32.008 30.300 -0.529 0.000 1.236 255 R HN 0.264 nan 8.270 nan 0.000 0.466 256 V N 0.832 120.507 119.914 -0.398 0.000 2.588 256 V HA 0.515 4.643 4.120 0.013 0.000 0.304 256 V C -0.418 175.645 176.094 -0.052 0.000 1.042 256 V CA -0.510 61.646 62.300 -0.239 0.000 0.877 256 V CB 2.298 33.917 31.823 -0.340 0.000 0.996 256 V HN 0.710 nan 8.190 nan 0.000 0.425 257 T N 4.190 118.825 114.554 0.135 0.000 2.812 257 T HA 0.593 4.951 4.350 0.013 0.000 0.282 257 T C -0.648 174.077 174.700 0.043 0.000 0.990 257 T CA -0.322 61.858 62.100 0.134 0.000 0.960 257 T CB 1.559 70.545 68.868 0.197 0.000 0.948 257 T HN 0.334 nan 8.240 nan 0.000 0.438 258 V N 4.090 124.008 119.914 0.007 0.000 2.448 258 V HA 0.664 4.792 4.120 0.013 0.000 0.295 258 V C -0.020 176.084 176.094 0.018 0.000 1.025 258 V CA -0.750 61.550 62.300 0.001 0.000 0.859 258 V CB 1.737 33.548 31.823 -0.021 0.000 0.988 258 V HN 1.044 nan 8.190 nan 0.000 0.431 259 S N 5.260 121.001 115.700 0.067 0.000 2.536 259 S HA 0.868 5.346 4.470 0.013 0.000 0.298 259 S C -1.068 173.592 174.600 0.101 0.000 1.083 259 S CA -0.787 57.440 58.200 0.045 0.000 0.995 259 S CB 2.219 65.478 63.200 0.098 0.000 1.058 259 S HN 0.549 nan 8.310 nan 0.000 0.488 260 L N 2.097 123.278 121.223 -0.071 0.000 2.341 260 L HA 0.804 5.152 4.340 0.013 0.000 0.278 260 L C -2.024 174.811 176.870 -0.058 0.000 1.005 260 L CA -0.315 54.570 54.840 0.076 0.000 0.818 260 L CB 0.951 43.044 42.059 0.056 0.000 1.259 260 L HN 0.892 nan 8.230 nan 0.000 0.418 261 W N 3.383 124.793 121.300 0.185 0.000 2.736 261 W HA 0.590 5.258 4.660 0.013 0.000 0.335 261 W C -0.678 175.946 176.519 0.175 0.000 1.059 261 W CA -0.460 56.971 57.345 0.143 0.000 1.226 261 W CB 1.551 31.045 29.460 0.056 0.000 1.416 261 W HN 0.487 nan 8.180 nan 0.000 0.505 262 Q N 2.706 122.672 119.800 0.277 0.000 2.456 262 Q HA 0.523 4.871 4.340 0.013 0.000 0.252 262 Q C 0.673 176.719 176.000 0.077 0.000 1.042 262 Q CA 0.414 56.231 55.803 0.024 0.000 0.766 262 Q CB 0.664 29.347 28.738 -0.092 0.000 1.196 262 Q HN 0.781 nan 8.270 nan 0.000 0.504 263 G N 3.165 112.007 108.800 0.071 0.000 2.550 263 G HA2 -0.357 3.611 3.960 0.013 0.000 0.277 263 G HA3 -0.357 3.611 3.960 0.013 0.000 0.277 263 G C 0.245 175.247 174.900 0.170 0.000 1.190 263 G CA 0.299 45.444 45.100 0.074 0.000 0.971 263 G HN 0.711 nan 8.290 nan 0.000 0.559 264 E N 0.852 121.143 120.200 0.152 0.000 2.476 264 E HA 0.197 4.555 4.350 0.013 0.000 0.191 264 E C 0.316 177.162 176.600 0.411 0.000 1.064 264 E CA 0.619 57.152 56.400 0.221 0.000 0.866 264 E CB 0.108 29.867 29.700 0.098 0.000 0.952 264 E HN 0.360 nan 8.360 nan 0.000 0.492 265 T N 1.004 115.749 114.554 0.318 0.000 2.794 265 T HA 0.136 4.494 4.350 0.013 0.000 0.280 265 T C -0.288 174.375 174.700 -0.062 0.000 0.987 265 T CA -0.554 61.632 62.100 0.143 0.000 0.993 265 T CB 1.802 70.696 68.868 0.042 0.000 0.939 265 T HN 0.018 nan 8.240 nan 0.000 0.449 266 Q N 2.733 122.201 119.800 -0.554 0.000 2.314 266 Q HA 0.311 4.659 4.340 0.013 0.000 0.257 266 Q C 0.951 176.667 176.000 -0.474 0.000 0.975 266 Q CA -0.488 54.662 55.803 -1.088 0.000 0.933 266 Q CB 0.781 28.654 28.738 -1.443 0.000 1.195 266 Q HN 0.702 nan 8.270 nan 0.000 0.426 267 V N 1.176 120.896 119.914 -0.322 0.000 3.174 267 V HA 0.566 4.694 4.120 0.013 0.000 0.254 267 V C 0.300 176.297 176.094 -0.163 0.000 1.120 267 V CA 0.857 63.066 62.300 -0.151 0.000 1.114 267 V CB 0.085 31.905 31.823 -0.004 0.000 0.756 267 V HN 0.651 nan 8.190 nan 0.000 0.467 268 A N -0.987 121.707 122.820 -0.210 0.000 2.601 268 A HA 0.819 5.147 4.320 0.013 0.000 0.291 268 A C -0.661 176.823 177.584 -0.166 0.000 1.075 268 A CA 0.187 52.132 52.037 -0.154 0.000 0.671 268 A CB 1.535 20.474 19.000 -0.101 0.000 1.277 268 A HN 0.626 nan 8.150 nan 0.000 0.417 269 S N -1.283 114.349 115.700 -0.114 0.000 2.543 269 S HA 0.768 5.246 4.470 0.013 0.000 0.274 269 S C -0.638 173.929 174.600 -0.055 0.000 1.149 269 S CA 0.194 58.343 58.200 -0.085 0.000 0.866 269 S CB 1.683 64.825 63.200 -0.098 0.000 1.111 269 S HN 2.304 nan 8.310 nan 0.000 0.457 270 G N 1.527 110.305 108.800 -0.036 0.000 2.719 270 G HA2 0.639 4.607 3.960 0.013 0.000 0.298 270 G HA3 0.639 4.607 3.960 0.013 0.000 0.298 270 G C -1.439 173.452 174.900 -0.016 0.000 1.411 270 G CA -0.401 44.681 45.100 -0.031 0.000 0.991 270 G HN 0.677 nan 8.290 nan 0.000 0.509 271 T N -0.030 114.517 114.554 -0.011 0.000 2.861 271 T HA 0.842 5.200 4.350 0.013 0.000 0.287 271 T C -0.279 174.397 174.700 -0.041 0.000 1.003 271 T CA -0.118 61.986 62.100 0.006 0.000 0.977 271 T CB 1.795 70.705 68.868 0.069 0.000 0.996 271 T HN 1.499 nan 8.240 nan 0.000 0.448 272 A N 3.724 126.488 122.820 -0.095 0.000 2.604 272 A HA 0.903 5.231 4.320 0.013 0.000 0.295 272 A C -3.080 174.393 177.584 -0.186 0.000 1.067 272 A CA -1.637 50.328 52.037 -0.121 0.000 0.683 272 A CB 1.355 20.274 19.000 -0.135 0.000 1.281 272 A HN 0.529 nan 8.150 nan 0.000 0.407 273 P HA 0.510 nan 4.420 nan 0.000 0.276 273 P C -0.581 176.622 177.300 -0.162 0.000 1.261 273 P CA -0.222 62.814 63.100 -0.107 0.000 0.800 273 P CB 0.379 32.061 31.700 -0.029 0.000 1.066 274 F N -0.269 119.639 119.950 -0.070 0.000 2.406 274 F HA 0.482 5.016 4.527 0.013 0.000 0.327 274 F C 1.432 177.211 175.800 -0.035 0.000 1.153 274 F CA 1.449 59.417 58.000 -0.053 0.000 1.218 274 F CB 0.262 39.224 39.000 -0.063 0.000 1.215 274 F HN 0.589 nan 8.300 nan 0.000 0.570 275 G N 1.445 110.354 108.800 0.183 0.000 2.881 275 G HA2 0.332 4.299 3.960 0.013 0.000 0.597 275 G HA3 0.332 4.299 3.960 0.013 0.000 0.597 275 G C -0.423 174.519 174.900 0.070 0.000 1.188 275 G CA -0.741 44.427 45.100 0.112 0.000 1.218 275 G HN 1.046 nan 8.290 nan 0.000 0.544 276 G N 1.042 109.904 108.800 0.104 0.000 2.588 276 G HA2 0.692 4.660 3.960 0.013 0.000 0.281 276 G HA3 0.692 4.660 3.960 0.013 0.000 0.281 276 G C 0.542 175.477 174.900 0.059 0.000 1.236 276 G CA 0.004 45.151 45.100 0.078 0.000 0.969 276 G HN 0.994 nan 8.290 nan 0.000 0.504 277 E N -0.402 119.825 120.200 0.045 0.000 2.442 277 E HA -0.009 4.349 4.350 0.013 0.000 0.260 277 E C 0.161 176.780 176.600 0.032 0.000 1.148 277 E CA -0.219 56.198 56.400 0.030 0.000 0.976 277 E CB 0.718 30.433 29.700 0.024 0.000 0.967 277 E HN 0.313 nan 8.360 nan 0.000 0.454 278 I N 1.696 122.273 120.570 0.012 0.000 2.648 278 I HA -0.082 4.096 4.170 0.013 0.000 0.284 278 I C 1.523 177.645 176.117 0.007 0.000 1.153 278 I CA 0.378 61.677 61.300 -0.002 0.000 1.426 278 I CB 0.288 38.283 38.000 -0.007 0.000 1.381 278 I HN 0.595 nan 8.210 nan 0.000 0.571 279 I N 2.627 123.195 120.570 -0.004 0.000 4.244 279 I HA 0.246 4.424 4.170 0.013 0.000 0.318 279 I C -0.217 175.898 176.117 -0.003 0.000 1.282 279 I CA 0.142 61.450 61.300 0.014 0.000 1.276 279 I CB 0.622 38.654 38.000 0.055 0.000 1.183 279 I HN 0.670 nan 8.210 nan 0.000 0.431 280 D N -0.392 119.992 120.400 -0.027 0.000 2.838 280 D HA 0.176 4.824 4.640 0.013 0.000 0.334 280 D C 0.247 176.529 176.300 -0.031 0.000 1.315 280 D CA -0.468 53.517 54.000 -0.024 0.000 0.917 280 D CB 0.578 41.364 40.800 -0.023 0.000 1.435 280 D HN -0.131 nan 8.370 nan 0.000 0.517 281 E N -1.027 119.157 120.200 -0.025 0.000 2.267 281 E HA -0.051 4.307 4.350 0.013 0.000 0.197 281 E C 1.312 177.891 176.600 -0.034 0.000 0.998 281 E CA 0.964 57.349 56.400 -0.024 0.000 0.830 281 E CB -0.013 29.676 29.700 -0.018 0.000 0.751 281 E HN 0.215 nan 8.360 nan 0.000 0.491 282 R N -0.368 120.104 120.500 -0.048 0.000 2.317 282 R HA 0.281 4.629 4.340 0.013 0.000 0.208 282 R C 0.835 177.091 176.300 -0.074 0.000 0.914 282 R CA 0.702 56.767 56.100 -0.059 0.000 1.060 282 R CB 0.658 30.918 30.300 -0.067 0.000 1.015 282 R HN 0.214 nan 8.270 nan 0.000 0.498 283 G N -0.547 108.210 108.800 -0.071 0.000 2.408 283 G HA2 -0.105 3.863 3.960 0.013 0.000 0.204 283 G HA3 -0.105 3.863 3.960 0.013 0.000 0.204 283 G C -0.282 174.559 174.900 -0.099 0.000 1.186 283 G CA -0.613 44.443 45.100 -0.073 0.000 1.139 283 G HN 0.468 nan 8.290 nan 0.000 0.563 284 G N -1.942 106.791 108.800 -0.111 0.000 3.105 284 G HA2 0.636 4.604 3.960 0.013 0.000 0.277 284 G HA3 0.636 4.604 3.960 0.013 0.000 0.277 284 G C -1.563 173.211 174.900 -0.210 0.000 1.375 284 G CA -0.728 44.302 45.100 -0.116 0.000 0.962 284 G HN 0.759 nan 8.290 nan 0.000 0.541 285 Y N 1.092 121.402 120.300 0.017 0.000 2.556 285 Y HA 0.403 4.961 4.550 0.012 0.000 0.352 285 Y C 1.459 177.384 175.900 0.042 0.000 1.006 285 Y CA 0.166 58.282 58.100 0.026 0.000 1.277 285 Y CB 1.595 40.075 38.460 0.034 0.000 1.136 285 Y HN 0.544 nan 8.280 nan 0.000 0.523 286 A N 1.691 124.574 122.820 0.105 0.000 2.168 286 A HA -0.118 4.210 4.320 0.013 0.000 0.215 286 A C 1.269 178.927 177.584 0.123 0.000 1.152 286 A CA 1.184 53.275 52.037 0.090 0.000 0.716 286 A CB -0.254 18.757 19.000 0.017 0.000 0.794 286 A HN 0.776 nan 8.150 nan 0.000 0.465 287 D N -0.784 119.699 120.400 0.138 0.000 2.388 287 D HA 0.148 4.796 4.640 0.013 0.000 0.221 287 D C 0.472 176.919 176.300 0.245 0.000 1.133 287 D CA -0.047 53.975 54.000 0.036 0.000 0.831 287 D CB -0.001 40.790 40.800 -0.016 0.000 0.962 287 D HN 0.381 nan 8.370 nan 0.000 0.502 288 R N -0.738 120.002 120.500 0.399 0.000 2.836 288 R HA 0.763 5.111 4.340 0.013 0.000 0.269 288 R C -1.567 174.861 176.300 0.213 0.000 1.010 288 R CA -1.177 55.124 56.100 0.336 0.000 0.930 288 R CB 3.086 33.454 30.300 0.113 0.000 1.218 288 R HN -0.024 nan 8.270 nan 0.000 0.473 289 V N 0.337 120.236 119.914 -0.024 0.000 2.969 289 V HA 0.478 4.606 4.120 0.013 0.000 0.304 289 V C -1.541 174.469 176.094 -0.140 0.000 1.192 289 V CA -0.281 61.912 62.300 -0.179 0.000 0.962 289 V CB 2.725 34.251 31.823 -0.496 0.000 1.045 289 V HN 0.811 nan 8.190 nan 0.000 0.428 290 T N 7.441 121.933 114.554 -0.103 0.000 2.792 290 T HA 0.602 4.960 4.350 0.013 0.000 0.280 290 T C -0.946 173.706 174.700 -0.081 0.000 0.990 290 T CA -0.405 61.649 62.100 -0.077 0.000 0.960 290 T CB 1.084 69.924 68.868 -0.046 0.000 0.939 290 T HN 0.437 nan 8.240 nan 0.000 0.439 291 L N 3.598 124.776 121.223 -0.075 0.000 2.322 291 L HA 0.595 4.943 4.340 0.013 0.000 0.279 291 L C 0.392 177.232 176.870 -0.050 0.000 1.036 291 L CA -0.465 54.335 54.840 -0.067 0.000 0.807 291 L CB 1.478 43.497 42.059 -0.065 0.000 1.226 291 L HN 0.562 nan 8.230 nan 0.000 0.433 292 R N 3.256 123.727 120.500 -0.047 0.000 2.476 292 R HA 0.647 4.995 4.340 0.013 0.000 0.305 292 R C -1.410 174.864 176.300 -0.043 0.000 0.965 292 R CA -0.918 55.155 56.100 -0.045 0.000 0.867 292 R CB 2.112 32.385 30.300 -0.044 0.000 1.176 292 R HN 0.233 nan 8.270 nan 0.000 0.447 293 L N 2.793 123.992 121.223 -0.040 0.000 2.333 293 L HA 0.371 4.719 4.340 0.013 0.000 0.280 293 L C -0.324 176.521 176.870 -0.042 0.000 1.004 293 L CA -0.590 54.226 54.840 -0.040 0.000 0.820 293 L CB 1.599 43.640 42.059 -0.030 0.000 1.247 293 L HN 0.466 nan 8.230 nan 0.000 0.416 294 N N 2.317 120.987 118.700 -0.051 0.000 2.499 294 N HA 0.513 5.261 4.740 0.013 0.000 0.281 294 N C -1.013 174.453 175.510 -0.074 0.000 1.098 294 N CA -0.254 52.762 53.050 -0.058 0.000 0.979 294 N CB 2.305 40.760 38.487 -0.053 0.000 1.121 294 N HN 0.206 nan 8.380 nan 0.000 0.466 295 V N 1.964 121.821 119.914 -0.095 0.000 2.525 295 V HA 0.199 4.327 4.120 0.013 0.000 0.299 295 V C -0.204 175.807 176.094 -0.138 0.000 1.034 295 V CA -0.873 61.332 62.300 -0.159 0.000 0.863 295 V CB 1.997 33.632 31.823 -0.313 0.000 0.999 295 V HN 0.460 nan 8.190 nan 0.000 0.423 296 E N 2.795 122.936 120.200 -0.099 0.000 2.283 296 E HA 0.310 4.667 4.350 0.013 0.000 0.278 296 E C 0.201 176.775 176.600 -0.044 0.000 1.027 296 E CA -0.421 55.946 56.400 -0.055 0.000 0.843 296 E CB 0.626 30.305 29.700 -0.035 0.000 1.062 296 E HN 0.730 nan 8.360 nan 0.000 0.401 297 N N 1.342 120.041 118.700 -0.001 0.000 2.688 297 N HA -0.149 4.599 4.740 0.013 0.000 0.258 297 N C -2.486 173.029 175.510 0.008 0.000 1.016 297 N CA 0.149 53.215 53.050 0.027 0.000 0.747 297 N CB -0.883 37.617 38.487 0.023 0.000 0.895 297 N HN 0.306 nan 8.380 nan 0.000 0.543 298 P HA 0.002 nan 4.420 nan 0.000 0.269 298 P C -0.445 176.890 177.300 0.059 0.000 1.209 298 P CA 0.302 63.315 63.100 -0.145 0.000 0.776 298 P CB 0.729 32.186 31.700 -0.406 0.000 0.876 299 K N 2.595 123.106 120.400 0.185 0.000 2.349 299 K HA 0.270 4.598 4.320 0.013 0.000 0.289 299 K C 0.217 176.974 176.600 0.262 0.000 1.064 299 K CA -0.338 56.053 56.287 0.174 0.000 0.947 299 K CB 0.154 32.720 32.500 0.110 0.000 1.007 299 K HN 0.433 nan 8.250 nan 0.000 0.478 300 L N 2.585 123.890 121.223 0.136 0.000 2.395 300 L HA 0.284 4.632 4.340 0.013 0.000 0.269 300 L C 0.033 176.976 176.870 0.121 0.000 1.133 300 L CA -0.801 54.119 54.840 0.134 0.000 0.812 300 L CB 0.417 42.395 42.059 -0.135 0.000 1.125 300 L HN 0.598 nan 8.230 nan 0.000 0.452 301 W N 3.091 124.417 121.300 0.044 0.000 2.376 301 W HA 0.484 5.151 4.660 0.012 0.000 0.322 301 W C -0.008 176.456 176.519 -0.091 0.000 1.160 301 W CA 0.104 57.459 57.345 0.017 0.000 1.218 301 W CB 1.330 30.855 29.460 0.109 0.000 1.205 301 W HN 0.613 nan 8.180 nan 0.000 0.559 302 S N 2.762 117.905 115.700 -0.928 0.000 2.643 302 S HA 0.648 5.126 4.470 0.013 0.000 0.270 302 S C 0.083 173.841 174.600 -1.403 0.000 1.166 302 S CA -0.369 57.335 58.200 -0.827 0.000 0.815 302 S CB 1.115 64.117 63.200 -0.331 0.000 1.139 302 S HN 0.982 nan 8.310 nan 0.000 0.472 303 A N 0.377 122.535 122.820 -1.103 0.000 2.014 303 A HA 0.075 4.402 4.320 0.013 0.000 0.218 303 A C 1.787 179.031 177.584 -0.566 0.000 1.163 303 A CA 1.398 52.829 52.037 -1.009 0.000 0.652 303 A CB -0.952 17.325 19.000 -1.206 0.000 0.808 303 A HN 0.864 nan 8.150 nan 0.000 0.449 304 E N -0.875 119.131 120.200 -0.324 0.000 2.047 304 E HA -0.021 4.337 4.350 0.013 0.000 0.191 304 E C -0.389 176.071 176.600 -0.233 0.000 0.987 304 E CA 0.817 57.103 56.400 -0.190 0.000 0.799 304 E CB -0.017 29.718 29.700 0.058 0.000 0.752 304 E HN 0.622 nan 8.360 nan 0.000 0.449 305 I N 1.312 121.715 120.570 -0.278 0.000 2.583 305 I HA 0.142 4.320 4.170 0.013 0.000 0.276 305 I C -2.453 173.435 176.117 -0.381 0.000 1.089 305 I CA -1.764 59.393 61.300 -0.239 0.000 1.103 305 I CB 2.173 40.086 38.000 -0.147 0.000 1.209 305 I HN -0.192 nan 8.210 nan 0.000 0.484 306 P HA 0.076 nan 4.420 nan 0.000 0.226 306 P C -0.592 176.689 177.300 -0.032 0.000 1.783 306 P CA -0.228 62.557 63.100 -0.525 0.000 0.980 306 P CB -0.240 31.311 31.700 -0.249 0.000 1.967 307 N N 1.624 120.322 118.700 -0.004 0.000 2.454 307 N HA 0.111 4.858 4.740 0.013 0.000 0.260 307 N C 0.130 175.847 175.510 0.345 0.000 1.218 307 N CA 0.528 53.652 53.050 0.124 0.000 0.904 307 N CB 0.639 39.193 38.487 0.113 0.000 1.065 307 N HN 0.305 nan 8.380 nan 0.000 0.462 308 L N 2.243 123.594 121.223 0.214 0.000 2.371 308 L HA 0.482 4.830 4.340 0.013 0.000 0.262 308 L C -0.794 176.152 176.870 0.126 0.000 1.006 308 L CA -0.865 54.151 54.840 0.293 0.000 0.818 308 L CB 1.319 43.523 42.059 0.242 0.000 1.354 308 L HN 0.380 nan 8.230 nan 0.000 0.415 309 Y N 0.158 120.614 120.300 0.260 0.000 2.650 309 Y HA 0.672 5.231 4.550 0.013 0.000 0.331 309 Y C -0.198 175.828 175.900 0.211 0.000 1.082 309 Y CA -0.811 57.440 58.100 0.250 0.000 1.171 309 Y CB 1.669 40.336 38.460 0.345 0.000 1.326 309 Y HN 0.380 nan 8.280 nan 0.000 0.513 310 R N 1.008 121.748 120.500 0.401 0.000 2.480 310 R HA 0.795 5.143 4.340 0.013 0.000 0.306 310 R C -1.664 174.828 176.300 0.319 0.000 0.958 310 R CA -0.495 55.768 56.100 0.272 0.000 0.861 310 R CB 1.053 31.445 30.300 0.153 0.000 1.171 310 R HN 0.736 nan 8.270 nan 0.000 0.445 311 A N 3.875 126.828 122.820 0.222 0.000 2.304 311 A HA 0.632 4.960 4.320 0.013 0.000 0.323 311 A C -1.024 176.620 177.584 0.100 0.000 1.195 311 A CA -0.653 51.495 52.037 0.185 0.000 0.826 311 A CB 1.295 20.374 19.000 0.131 0.000 1.184 311 A HN 0.489 nan 8.150 nan 0.000 0.496 312 V N 3.130 123.104 119.914 0.100 0.000 2.417 312 V HA 0.394 4.522 4.120 0.013 0.000 0.291 312 V C -0.354 175.713 176.094 -0.046 0.000 1.024 312 V CA -0.515 61.780 62.300 -0.009 0.000 0.861 312 V CB 1.626 33.447 31.823 -0.003 0.000 0.985 312 V HN 0.606 nan 8.190 nan 0.000 0.436 313 V N 4.717 124.538 119.914 -0.155 0.000 2.313 313 V HA 0.388 4.516 4.120 0.013 0.000 0.278 313 V C -0.013 176.017 176.094 -0.106 0.000 1.017 313 V CA -0.556 61.626 62.300 -0.197 0.000 0.823 313 V CB 0.984 32.522 31.823 -0.476 0.000 1.010 313 V HN 0.927 nan 8.190 nan 0.000 0.443 314 E N 3.917 124.112 120.200 -0.007 0.000 2.156 314 E HA 0.491 4.848 4.350 0.013 0.000 0.279 314 E C -0.899 175.802 176.600 0.170 0.000 0.965 314 E CA -0.826 55.620 56.400 0.077 0.000 0.789 314 E CB 2.411 32.169 29.700 0.098 0.000 1.098 314 E HN 0.457 nan 8.360 nan 0.000 0.397 315 L N 4.756 126.058 121.223 0.132 0.000 2.272 315 L HA 0.387 4.735 4.340 0.013 0.000 0.289 315 L C -0.986 176.000 176.870 0.193 0.000 1.032 315 L CA 0.089 55.006 54.840 0.128 0.000 0.810 315 L CB 0.038 42.150 42.059 0.088 0.000 1.205 315 L HN 0.673 nan 8.230 nan 0.000 0.422 316 H N 0.067 119.195 119.070 0.097 0.000 2.948 316 H HA 0.700 5.264 4.556 0.013 0.000 0.315 316 H C -0.744 174.662 175.328 0.130 0.000 1.360 316 H CA -0.562 55.536 56.048 0.084 0.000 1.125 316 H CB 0.515 30.304 29.762 0.047 0.000 1.844 316 H HN 0.509 nan 8.280 nan 0.000 0.529 317 T N -1.775 112.914 114.554 0.225 0.000 2.882 317 T HA 0.487 4.845 4.350 0.013 0.000 0.287 317 T C 1.442 176.284 174.700 0.236 0.000 1.014 317 T CA -0.310 61.904 62.100 0.189 0.000 1.049 317 T CB 1.431 70.320 68.868 0.034 0.000 1.001 317 T HN 0.924 nan 8.240 nan 0.000 0.525 318 A N 1.068 123.994 122.820 0.177 0.000 1.978 318 A HA -0.058 4.270 4.320 0.013 0.000 0.220 318 A C 1.801 179.485 177.584 0.167 0.000 1.170 318 A CA 1.403 53.542 52.037 0.171 0.000 0.636 318 A CB -0.845 18.226 19.000 0.119 0.000 0.810 318 A HN 0.858 nan 8.150 nan 0.000 0.448 319 D N -1.402 119.064 120.400 0.110 0.000 2.363 319 D HA 0.261 4.909 4.640 0.013 0.000 0.226 319 D C 1.306 177.640 176.300 0.057 0.000 1.020 319 D CA 1.205 55.242 54.000 0.062 0.000 0.892 319 D CB 0.111 40.925 40.800 0.022 0.000 0.900 319 D HN 0.626 nan 8.370 nan 0.000 0.531 320 G N -0.443 108.419 108.800 0.103 0.000 2.205 320 G HA2 -0.202 3.765 3.960 0.013 0.000 0.180 320 G HA3 -0.202 3.765 3.960 0.013 0.000 0.180 320 G C 0.409 175.329 174.900 0.032 0.000 1.004 320 G CA -0.187 44.939 45.100 0.043 0.000 0.670 320 G HN 0.249 nan 8.290 nan 0.000 0.496 321 T N 1.989 116.582 114.554 0.066 0.000 2.749 321 T HA 0.520 4.878 4.350 0.013 0.000 0.295 321 T C 0.161 174.920 174.700 0.097 0.000 0.936 321 T CA -0.201 61.927 62.100 0.046 0.000 1.060 321 T CB 1.877 70.754 68.868 0.014 0.000 0.904 321 T HN 0.538 nan 8.240 nan 0.000 0.500 322 L N 5.314 126.572 121.223 0.058 0.000 2.360 322 L HA 0.340 4.688 4.340 0.013 0.000 0.276 322 L C 0.842 177.755 176.870 0.072 0.000 1.121 322 L CA 0.308 55.196 54.840 0.081 0.000 0.845 322 L CB -0.024 42.051 42.059 0.027 0.000 1.143 322 L HN 0.684 nan 8.230 nan 0.000 0.452 323 I N 2.964 123.590 120.570 0.093 0.000 2.270 323 I HA 0.049 4.227 4.170 0.013 0.000 0.239 323 I C 0.358 176.496 176.117 0.035 0.000 1.080 323 I CA 0.692 62.027 61.300 0.059 0.000 1.383 323 I CB 0.030 38.069 38.000 0.066 0.000 1.097 323 I HN 0.799 nan 8.210 nan 0.000 0.420 324 E N 0.109 120.330 120.200 0.036 0.000 2.416 324 E HA 0.727 5.084 4.350 0.013 0.000 0.280 324 E C -1.452 175.162 176.600 0.023 0.000 1.055 324 E CA -1.101 55.310 56.400 0.018 0.000 0.825 324 E CB 1.836 31.518 29.700 -0.030 0.000 1.312 324 E HN 0.028 nan 8.360 nan 0.000 0.452 325 A N 1.326 124.179 122.820 0.055 0.000 2.414 325 A HA 0.686 5.014 4.320 0.013 0.000 0.306 325 A C -0.923 176.731 177.584 0.117 0.000 1.054 325 A CA -0.748 51.316 52.037 0.046 0.000 0.724 325 A CB 1.569 20.593 19.000 0.041 0.000 1.267 325 A HN 0.527 nan 8.150 nan 0.000 0.418 326 E N -0.286 119.909 120.200 -0.007 0.000 2.316 326 E HA 0.858 5.216 4.350 0.013 0.000 0.258 326 E C -0.385 176.223 176.600 0.013 0.000 0.952 326 E CA -0.507 55.937 56.400 0.073 0.000 0.818 326 E CB 2.326 31.941 29.700 -0.141 0.000 1.260 326 E HN 1.206 nan 8.360 nan 0.000 0.416 327 A N -0.288 122.652 122.820 0.199 0.000 2.566 327 A HA 0.688 5.015 4.320 0.013 0.000 0.290 327 A C -1.212 176.556 177.584 0.307 0.000 1.071 327 A CA -0.325 51.770 52.037 0.097 0.000 0.658 327 A CB 0.624 19.622 19.000 -0.003 0.000 1.285 327 A HN 0.875 nan 8.150 nan 0.000 0.427 328 C N -0.805 118.640 119.300 0.242 0.000 3.321 328 C HA 0.810 5.278 4.460 0.013 0.000 0.329 328 C C -1.434 173.658 174.990 0.170 0.000 1.394 328 C CA -0.927 58.238 59.018 0.245 0.000 1.291 328 C CB 1.043 28.945 27.740 0.271 0.000 1.606 328 C HN 0.821 nan 8.230 nan 0.000 0.463 329 D N 1.012 121.497 120.400 0.142 0.000 2.304 329 D HA 0.555 5.203 4.640 0.013 0.000 0.250 329 D C -0.348 176.017 176.300 0.108 0.000 1.107 329 D CA 0.174 54.259 54.000 0.141 0.000 0.885 329 D CB 1.852 42.735 40.800 0.138 0.000 1.192 329 D HN 0.544 nan 8.370 nan 0.000 0.436 330 V N 1.140 121.149 119.914 0.159 0.000 2.555 330 V HA 0.668 4.796 4.120 0.013 0.000 0.302 330 V C 0.600 176.788 176.094 0.157 0.000 1.038 330 V CA -0.835 61.514 62.300 0.081 0.000 0.887 330 V CB 2.048 33.912 31.823 0.068 0.000 0.991 330 V HN 0.610 nan 8.190 nan 0.000 0.434 331 G N 2.996 111.783 108.800 -0.021 0.000 2.502 331 G HA2 0.588 4.556 3.960 0.013 0.000 0.311 331 G HA3 0.588 4.556 3.960 0.013 0.000 0.311 331 G C -0.946 174.036 174.900 0.137 0.000 1.270 331 G CA -0.388 44.778 45.100 0.109 0.000 0.948 331 G HN 0.432 nan 8.290 nan 0.000 0.487 332 F N 4.146 124.296 119.950 0.334 0.000 2.468 332 F HA 0.379 4.913 4.527 0.013 0.000 0.356 332 F C 1.196 177.247 175.800 0.418 0.000 1.167 332 F CA -0.028 58.228 58.000 0.427 0.000 1.135 332 F CB 0.531 39.806 39.000 0.458 0.000 1.197 332 F HN 0.439 nan 8.300 nan 0.000 0.569 333 R N 3.119 123.890 120.500 0.451 0.000 2.680 333 R HA 0.437 4.785 4.340 0.013 0.000 0.269 333 R C -1.767 174.697 176.300 0.273 0.000 1.026 333 R CA -0.804 55.425 56.100 0.216 0.000 0.889 333 R CB 1.640 32.104 30.300 0.273 0.000 1.241 333 R HN 0.578 nan 8.270 nan 0.000 0.463 334 E N 2.197 122.477 120.200 0.133 0.000 2.199 334 E HA 0.473 4.831 4.350 0.013 0.000 0.269 334 E C -1.251 175.432 176.600 0.139 0.000 0.899 334 E CA -0.928 55.626 56.400 0.256 0.000 0.772 334 E CB 2.149 32.078 29.700 0.383 0.000 1.155 334 E HN 0.397 nan 8.360 nan 0.000 0.408 335 V N 5.350 125.336 119.914 0.120 0.000 2.448 335 V HA 0.584 4.712 4.120 0.013 0.000 0.295 335 V C -0.255 175.884 176.094 0.074 0.000 1.025 335 V CA -0.614 61.727 62.300 0.068 0.000 0.859 335 V CB 1.186 33.026 31.823 0.030 0.000 0.988 335 V HN 0.762 nan 8.190 nan 0.000 0.431 336 R N 4.112 124.652 120.500 0.066 0.000 2.663 336 R HA 0.720 5.067 4.340 0.013 0.000 0.267 336 R C -2.075 174.256 176.300 0.052 0.000 1.038 336 R CA -0.921 55.220 56.100 0.069 0.000 0.886 336 R CB 1.839 32.194 30.300 0.092 0.000 1.249 336 R HN 0.506 nan 8.270 nan 0.000 0.463 337 I N 1.362 121.961 120.570 0.049 0.000 2.354 337 I HA 0.350 4.528 4.170 0.013 0.000 0.292 337 I C -0.626 175.517 176.117 0.042 0.000 0.989 337 I CA -0.394 60.929 61.300 0.038 0.000 1.188 337 I CB 1.845 39.868 38.000 0.039 0.000 1.342 337 I HN 0.720 nan 8.210 nan 0.000 0.457 338 E N 5.917 126.138 120.200 0.036 0.000 2.290 338 E HA 0.264 4.622 4.350 0.013 0.000 0.274 338 E C -0.256 176.361 176.600 0.028 0.000 0.889 338 E CA -0.526 55.897 56.400 0.038 0.000 0.760 338 E CB 1.027 30.755 29.700 0.047 0.000 1.206 338 E HN 0.526 nan 8.360 nan 0.000 0.419 339 N N 3.105 121.821 118.700 0.027 0.000 2.714 339 N HA -0.226 4.522 4.740 0.013 0.000 0.250 339 N C 0.462 175.981 175.510 0.015 0.000 1.117 339 N CA 2.157 55.219 53.050 0.021 0.000 0.719 339 N CB -1.159 37.339 38.487 0.018 0.000 1.081 339 N HN 1.015 nan 8.380 nan 0.000 0.557 340 G N -2.336 106.473 108.800 0.016 0.000 2.176 340 G HA2 -0.270 3.698 3.960 0.013 0.000 0.253 340 G HA3 -0.270 3.698 3.960 0.013 0.000 0.253 340 G C -0.121 174.778 174.900 -0.002 0.000 0.979 340 G CA 0.420 45.526 45.100 0.009 0.000 0.641 340 G HN 0.439 nan 8.290 nan 0.000 0.530 341 L N 0.066 121.289 121.223 -0.001 0.000 2.362 341 L HA 0.723 5.071 4.340 0.013 0.000 0.271 341 L C 0.013 176.876 176.870 -0.012 0.000 1.002 341 L CA -1.352 53.480 54.840 -0.015 0.000 0.818 341 L CB 1.887 43.938 42.059 -0.015 0.000 1.298 341 L HN 0.093 nan 8.230 nan 0.000 0.420 342 L N 4.164 125.368 121.223 -0.033 0.000 2.278 342 L HA 0.462 4.810 4.340 0.013 0.000 0.287 342 L C -0.838 176.010 176.870 -0.036 0.000 1.072 342 L CA 0.374 55.195 54.840 -0.031 0.000 0.819 342 L CB 0.372 42.398 42.059 -0.056 0.000 1.176 342 L HN 0.373 nan 8.230 nan 0.000 0.435 343 L N 5.721 126.940 121.223 -0.007 0.000 2.334 343 L HA 0.573 4.921 4.340 0.013 0.000 0.273 343 L C -0.881 175.998 176.870 0.014 0.000 1.013 343 L CA -0.889 53.955 54.840 0.006 0.000 0.816 343 L CB 1.960 44.046 42.059 0.045 0.000 1.278 343 L HN 0.533 nan 8.230 nan 0.000 0.431 344 L N 3.233 124.476 121.223 0.034 0.000 2.349 344 L HA 0.491 4.839 4.340 0.013 0.000 0.278 344 L C -0.208 176.681 176.870 0.032 0.000 0.996 344 L CA -0.036 54.835 54.840 0.051 0.000 0.825 344 L CB 1.051 43.163 42.059 0.089 0.000 1.243 344 L HN 0.597 nan 8.230 nan 0.000 0.412 345 N N 4.095 122.675 118.700 -0.201 0.000 2.721 345 N HA -0.224 4.524 4.740 0.013 0.000 0.249 345 N C 0.918 176.067 175.510 -0.602 0.000 1.072 345 N CA 1.351 53.930 53.050 -0.786 0.000 0.710 345 N CB -1.321 36.602 38.487 -0.940 0.000 0.993 345 N HN 1.194 nan 8.380 nan 0.000 0.547 346 G N -2.184 106.568 108.800 -0.079 0.000 2.179 346 G HA2 -0.343 3.625 3.960 0.013 0.000 0.260 346 G HA3 -0.343 3.625 3.960 0.013 0.000 0.260 346 G C -0.071 174.868 174.900 0.065 0.000 0.977 346 G CA 0.872 46.040 45.100 0.113 0.000 0.641 346 G HN 0.411 nan 8.290 nan 0.000 0.533 347 K N 0.551 120.978 120.400 0.046 0.000 2.318 347 K HA 0.565 4.893 4.320 0.013 0.000 0.249 347 K C -2.871 173.707 176.600 -0.038 0.000 0.942 347 K CA -2.269 54.009 56.287 -0.016 0.000 0.808 347 K CB 2.530 34.957 32.500 -0.122 0.000 1.189 347 K HN 0.016 nan 8.250 nan 0.000 0.428 348 P HA 0.225 nan 4.420 nan 0.000 0.282 348 P C -0.115 177.120 177.300 -0.108 0.000 1.274 348 P CA -0.240 62.815 63.100 -0.075 0.000 0.770 348 P CB 0.499 32.158 31.700 -0.068 0.000 0.867 349 L N 3.297 124.451 121.223 -0.116 0.000 2.466 349 L HA 0.330 4.678 4.340 0.013 0.000 0.257 349 L C 0.589 177.374 176.870 -0.141 0.000 1.189 349 L CA -0.637 54.121 54.840 -0.136 0.000 0.813 349 L CB 0.304 42.240 42.059 -0.205 0.000 1.118 349 L HN 0.245 nan 8.230 nan 0.000 0.471 350 L N 3.010 124.165 121.223 -0.113 0.000 2.427 350 L HA 0.423 4.771 4.340 0.013 0.000 0.264 350 L C -0.591 176.222 176.870 -0.095 0.000 0.989 350 L CA -0.255 54.500 54.840 -0.142 0.000 0.865 350 L CB 0.910 42.914 42.059 -0.092 0.000 1.209 350 L HN 0.229 nan 8.230 nan 0.000 0.430 351 I N 5.025 125.472 120.570 -0.206 0.000 2.436 351 I HA 0.197 4.375 4.170 0.013 0.000 0.289 351 I C 0.549 176.627 176.117 -0.066 0.000 1.083 351 I CA 0.204 61.398 61.300 -0.176 0.000 1.372 351 I CB 0.361 38.126 38.000 -0.393 0.000 1.408 351 I HN 0.557 nan 8.210 nan 0.000 0.516 352 R N 4.954 125.499 120.500 0.075 0.000 2.666 352 R HA 0.445 4.793 4.340 0.013 0.000 0.275 352 R C 0.474 176.900 176.300 0.209 0.000 1.266 352 R CA -0.307 55.882 56.100 0.148 0.000 1.401 352 R CB 0.945 31.143 30.300 -0.169 0.000 1.145 352 R HN 0.763 nan 8.270 nan 0.000 0.581 353 G N 0.296 109.186 108.800 0.150 0.000 2.491 353 G HA2 0.576 4.544 3.960 0.013 0.000 0.327 353 G HA3 0.576 4.544 3.960 0.013 0.000 0.327 353 G C -1.219 173.996 174.900 0.525 0.000 1.189 353 G CA -0.459 44.703 45.100 0.103 0.000 0.956 353 G HN 0.238 nan 8.290 nan 0.000 0.491 354 V N 0.038 120.221 119.914 0.448 0.000 3.012 354 V HA 0.458 4.586 4.120 0.013 0.000 0.307 354 V C -1.161 175.053 176.094 0.201 0.000 1.166 354 V CA -1.215 61.212 62.300 0.211 0.000 0.974 354 V CB 2.214 33.832 31.823 -0.342 0.000 1.040 354 V HN 0.769 nan 8.190 nan 0.000 0.428 355 N N 4.224 122.952 118.700 0.048 0.000 2.499 355 N HA 0.438 5.186 4.740 0.013 0.000 0.281 355 N C -0.747 174.548 175.510 -0.360 0.000 1.098 355 N CA -0.295 52.648 53.050 -0.179 0.000 0.979 355 N CB 1.480 39.808 38.487 -0.265 0.000 1.121 355 N HN 0.627 nan 8.380 nan 0.000 0.466 356 R N 2.233 122.499 120.500 -0.391 0.000 2.502 356 R HA 0.213 4.561 4.340 0.013 0.000 0.298 356 R C -0.837 175.221 176.300 -0.403 0.000 1.018 356 R CA -0.555 55.338 56.100 -0.345 0.000 0.899 356 R CB 0.784 30.863 30.300 -0.370 0.000 1.181 356 R HN 0.591 nan 8.270 nan 0.000 0.444 357 H N 2.096 121.020 119.070 -0.243 0.000 2.546 357 H HA 0.131 4.695 4.556 0.013 0.000 0.365 357 H C -0.465 174.863 175.328 -0.000 0.000 1.220 357 H CA 0.157 56.161 56.048 -0.075 0.000 1.386 357 H CB 1.336 31.128 29.762 0.049 0.000 1.510 357 H HN 0.557 nan 8.280 nan 0.000 0.591 358 E N 1.601 121.987 120.200 0.311 0.000 2.046 358 E HA 0.135 4.493 4.350 0.013 0.000 0.279 358 E C -0.784 175.963 176.600 0.246 0.000 0.989 358 E CA -0.117 56.382 56.400 0.164 0.000 0.798 358 E CB 0.546 30.355 29.700 0.181 0.000 1.086 358 E HN 0.385 nan 8.360 nan 0.000 0.399 359 H N 1.763 120.896 119.070 0.104 0.000 2.865 359 H HA 0.280 4.844 4.556 0.013 0.000 0.362 359 H C -1.707 173.684 175.328 0.104 0.000 1.114 359 H CA -0.639 55.470 56.048 0.102 0.000 1.208 359 H CB 1.123 30.936 29.762 0.084 0.000 1.727 359 H HN 0.420 nan 8.280 nan 0.000 0.534 360 H N 5.931 124.593 119.070 -0.679 0.000 2.759 360 H HA 0.221 4.785 4.556 0.013 0.000 0.354 360 H C -2.374 172.582 175.328 -0.619 0.000 1.074 360 H CA -2.372 53.426 56.048 -0.416 0.000 1.226 360 H CB 2.767 32.441 29.762 -0.146 0.000 1.648 360 H HN 0.527 nan 8.280 nan 0.000 0.529 361 P HA -0.048 nan 4.420 nan 0.000 0.223 361 P C 1.162 178.364 177.300 -0.163 0.000 1.151 361 P CA 0.732 63.688 63.100 -0.240 0.000 0.787 361 P CB 0.829 32.422 31.700 -0.179 0.000 0.788 362 L N -1.661 119.568 121.223 0.009 0.000 2.388 362 L HA 0.118 4.466 4.340 0.013 0.000 0.209 362 L C 2.245 178.927 176.870 -0.313 0.000 1.061 362 L CA 0.640 55.359 54.840 -0.202 0.000 0.834 362 L CB -0.742 41.054 42.059 -0.438 0.000 1.029 362 L HN -0.020 nan 8.230 nan 0.000 0.473 363 H N 0.063 119.128 119.070 -0.008 0.000 2.551 363 H HA 0.303 4.867 4.556 0.013 0.000 0.271 363 H C 1.404 176.627 175.328 -0.174 0.000 0.984 363 H CA 0.509 56.437 56.048 -0.200 0.000 1.164 363 H CB 0.159 29.664 29.762 -0.428 0.000 1.437 363 H HN 0.366 nan 8.280 nan 0.000 0.550 364 G N 1.607 110.330 108.800 -0.129 0.000 2.574 364 G HA2 -0.372 3.596 3.960 0.013 0.000 0.301 364 G HA3 -0.372 3.596 3.960 0.013 0.000 0.301 364 G C 0.768 175.591 174.900 -0.129 0.000 1.166 364 G CA 0.457 45.429 45.100 -0.212 0.000 0.971 364 G HN 0.459 nan 8.290 nan 0.000 0.542 365 Q N -0.067 119.683 119.800 -0.084 0.000 2.220 365 Q HA 0.459 4.807 4.340 0.013 0.000 0.205 365 Q C 0.326 176.430 176.000 0.174 0.000 0.865 365 Q CA -0.153 55.652 55.803 0.003 0.000 0.960 365 Q CB 1.285 29.912 28.738 -0.184 0.000 1.097 365 Q HN 0.361 nan 8.270 nan 0.000 0.493 366 V N 2.238 122.225 119.914 0.122 0.000 2.488 366 V HA 0.136 4.264 4.120 0.013 0.000 0.277 366 V C 0.216 176.350 176.094 0.065 0.000 1.046 366 V CA 0.307 62.676 62.300 0.116 0.000 0.986 366 V CB 0.789 32.613 31.823 0.003 0.000 0.989 366 V HN 0.317 nan 8.190 nan 0.000 0.475 367 M N 4.698 124.337 119.600 0.065 0.000 2.537 367 M HA 0.534 5.022 4.480 0.013 0.000 0.324 367 M C -0.575 175.664 176.300 -0.102 0.000 1.187 367 M CA -0.651 54.639 55.300 -0.017 0.000 0.993 367 M CB 1.736 34.285 32.600 -0.085 0.000 1.666 367 M HN 0.921 nan 8.290 nan 0.000 0.461 368 D N -1.554 118.794 120.400 -0.087 0.000 2.581 368 D HA 0.247 4.895 4.640 0.013 0.000 0.232 368 D C 0.326 176.598 176.300 -0.045 0.000 1.143 368 D CA -0.692 53.261 54.000 -0.077 0.000 0.881 368 D CB 1.398 42.172 40.800 -0.043 0.000 1.500 368 D HN 0.689 nan 8.370 nan 0.000 0.458 369 E N 0.125 120.312 120.200 -0.021 0.000 2.097 369 E HA -0.336 4.022 4.350 0.013 0.000 0.196 369 E C 1.533 178.172 176.600 0.065 0.000 1.000 369 E CA 1.580 57.998 56.400 0.030 0.000 0.804 369 E CB 0.116 29.851 29.700 0.059 0.000 0.740 369 E HN 0.590 nan 8.360 nan 0.000 0.454 370 Q N -0.541 119.299 119.800 0.068 0.000 2.050 370 Q HA -0.146 4.201 4.340 0.013 0.000 0.202 370 Q C 2.261 178.321 176.000 0.100 0.000 0.980 370 Q CA 2.123 57.978 55.803 0.086 0.000 0.840 370 Q CB -0.033 28.758 28.738 0.089 0.000 0.898 370 Q HN 0.326 nan 8.270 nan 0.000 0.424 371 T N 0.846 115.469 114.554 0.115 0.000 2.746 371 T HA -0.154 4.204 4.350 0.013 0.000 0.267 371 T C 1.820 176.599 174.700 0.131 0.000 1.039 371 T CA 1.292 63.477 62.100 0.140 0.000 1.142 371 T CB -0.140 68.842 68.868 0.190 0.000 0.866 371 T HN 0.250 nan 8.240 nan 0.000 0.444 372 M N 0.503 120.178 119.600 0.126 0.000 2.117 372 M HA -0.096 4.391 4.480 0.013 0.000 0.262 372 M C 2.486 178.889 176.300 0.172 0.000 1.065 372 M CA 1.292 56.730 55.300 0.231 0.000 1.114 372 M CB -0.666 32.102 32.600 0.281 0.000 1.361 372 M HN 0.097 nan 8.290 nan 0.000 0.408 373 V N 0.448 120.409 119.914 0.078 0.000 2.287 373 V HA -0.324 3.804 4.120 0.013 0.000 0.248 373 V C 2.375 178.445 176.094 -0.041 0.000 1.053 373 V CA 2.259 64.539 62.300 -0.034 0.000 1.027 373 V CB -0.926 30.913 31.823 0.027 0.000 0.646 373 V HN 0.577 nan 8.190 nan 0.000 0.447 374 Q N -0.353 119.478 119.800 0.053 0.000 2.096 374 Q HA -0.283 4.065 4.340 0.013 0.000 0.204 374 Q C 1.952 178.024 176.000 0.120 0.000 0.982 374 Q CA 2.256 58.111 55.803 0.086 0.000 0.850 374 Q CB -0.166 28.641 28.738 0.115 0.000 0.901 374 Q HN 0.626 nan 8.270 nan 0.000 0.422 375 D N 0.289 120.777 120.400 0.146 0.000 2.117 375 D HA -0.110 4.538 4.640 0.013 0.000 0.198 375 D C 1.934 178.193 176.300 -0.068 0.000 0.982 375 D CA 1.022 55.111 54.000 0.148 0.000 0.828 375 D CB -0.146 40.718 40.800 0.107 0.000 0.967 375 D HN 0.358 nan 8.370 nan 0.000 0.464 376 I N 0.625 121.138 120.570 -0.096 0.000 2.286 376 I HA -0.223 3.954 4.170 0.013 0.000 0.248 376 I C 2.366 178.339 176.117 -0.241 0.000 1.115 376 I CA 0.548 61.683 61.300 -0.274 0.000 1.392 376 I CB -0.067 37.644 38.000 -0.483 0.000 1.065 376 I HN 0.001 nan 8.210 nan 0.000 0.418 377 L N 0.103 121.221 121.223 -0.175 0.000 2.017 377 L HA -0.245 4.103 4.340 0.013 0.000 0.208 377 L C 2.537 179.469 176.870 0.102 0.000 1.073 377 L CA 1.477 56.306 54.840 -0.020 0.000 0.745 377 L CB -0.561 41.518 42.059 0.033 0.000 0.894 377 L HN 0.267 nan 8.230 nan 0.000 0.432 378 L N -1.097 120.214 121.223 0.146 0.000 2.131 378 L HA -0.235 4.112 4.340 0.013 0.000 0.210 378 L C 2.641 179.681 176.870 0.284 0.000 1.092 378 L CA 1.205 56.215 54.840 0.284 0.000 0.759 378 L CB -0.286 42.050 42.059 0.461 0.000 0.903 378 L HN 0.306 nan 8.230 nan 0.000 0.435 379 M N -0.675 118.914 119.600 -0.018 0.000 2.086 379 M HA -0.225 4.263 4.480 0.013 0.000 0.261 379 M C 2.275 178.658 176.300 0.137 0.000 1.067 379 M CA 1.842 57.064 55.300 -0.130 0.000 1.116 379 M CB -0.261 32.032 32.600 -0.512 0.000 1.348 379 M HN 0.067 nan 8.290 nan 0.000 0.407 380 K N -0.049 120.340 120.400 -0.017 0.000 2.097 380 K HA -0.168 4.160 4.320 0.013 0.000 0.205 380 K C 1.920 178.537 176.600 0.030 0.000 1.050 380 K CA 1.233 57.427 56.287 -0.155 0.000 0.938 380 K CB -0.219 32.000 32.500 -0.470 0.000 0.718 380 K HN 0.441 nan 8.250 nan 0.000 0.442 381 Q N 0.401 120.368 119.800 0.279 0.000 2.364 381 Q HA -0.037 4.311 4.340 0.013 0.000 0.207 381 Q C 0.749 177.057 176.000 0.515 0.000 0.970 381 Q CA 0.700 56.782 55.803 0.465 0.000 0.888 381 Q CB 0.140 29.120 28.738 0.403 0.000 0.951 381 Q HN 0.271 nan 8.270 nan 0.000 0.469 382 N N 0.520 119.468 118.700 0.413 0.000 2.273 382 N HA 0.056 4.804 4.740 0.013 0.000 0.231 382 N C -0.630 174.991 175.510 0.186 0.000 1.134 382 N CA 0.018 53.303 53.050 0.390 0.000 0.856 382 N CB 0.721 39.516 38.487 0.513 0.000 1.068 382 N HN 0.144 nan 8.380 nan 0.000 0.510 383 N N 0.255 119.072 118.700 0.196 0.000 2.741 383 N HA -0.188 4.560 4.740 0.013 0.000 0.250 383 N C -0.835 174.604 175.510 -0.119 0.000 1.115 383 N CA 0.788 53.914 53.050 0.127 0.000 0.724 383 N CB -1.759 36.722 38.487 -0.010 0.000 1.090 383 N HN 0.255 nan 8.380 nan 0.000 0.558 384 F N 1.071 121.050 119.950 0.047 0.000 2.375 384 F HA 0.280 4.814 4.527 0.013 0.000 0.333 384 F C 1.792 177.592 175.800 0.000 0.000 1.104 384 F CA -0.493 57.515 58.000 0.013 0.000 1.149 384 F CB 0.785 39.765 39.000 -0.033 0.000 1.190 384 F HN 0.061 nan 8.300 nan 0.000 0.533 385 N N 0.629 119.446 118.700 0.196 0.000 2.143 385 N HA 0.433 5.181 4.740 0.013 0.000 0.222 385 N C -0.841 174.728 175.510 0.098 0.000 1.264 385 N CA -0.016 53.079 53.050 0.076 0.000 0.897 385 N CB 0.738 39.314 38.487 0.148 0.000 1.092 385 N HN 0.461 nan 8.380 nan 0.000 0.516 386 A N -0.510 122.440 122.820 0.217 0.000 2.594 386 A HA 0.762 5.089 4.320 0.013 0.000 0.295 386 A C -1.751 176.064 177.584 0.385 0.000 1.071 386 A CA -0.721 51.508 52.037 0.319 0.000 0.685 386 A CB 1.850 21.052 19.000 0.337 0.000 1.285 386 A HN 0.219 nan 8.150 nan 0.000 0.405 387 V N 1.178 121.372 119.914 0.466 0.000 2.888 387 V HA 0.806 4.934 4.120 0.013 0.000 0.309 387 V C -0.673 175.561 176.094 0.234 0.000 1.114 387 V CA -0.693 61.826 62.300 0.364 0.000 0.940 387 V CB 1.902 33.869 31.823 0.241 0.000 1.021 387 V HN 1.143 nan 8.190 nan 0.000 0.426 388 R N 4.822 125.286 120.500 -0.060 0.000 2.393 388 R HA 0.493 4.841 4.340 0.013 0.000 0.310 388 R C -0.721 175.427 176.300 -0.253 0.000 0.968 388 R CA -0.467 55.408 56.100 -0.375 0.000 0.867 388 R CB 1.248 31.082 30.300 -0.777 0.000 1.124 388 R HN 0.799 nan 8.270 nan 0.000 0.450 389 C N 4.429 123.612 119.300 -0.194 0.000 3.183 389 C HA 0.113 4.581 4.460 0.013 0.000 0.545 389 C C 0.443 175.145 174.990 -0.480 0.000 1.044 389 C CA -0.377 58.478 59.018 -0.271 0.000 1.117 389 C CB -2.147 25.557 27.740 -0.060 0.000 1.393 389 C HN 0.716 nan 8.230 nan 0.000 0.611 390 S N 1.346 116.641 115.700 -0.674 0.000 2.488 390 S HA 0.178 4.656 4.470 0.013 0.000 0.278 390 S C -0.105 173.568 174.600 -1.545 0.000 1.259 390 S CA 0.099 57.637 58.200 -1.103 0.000 1.061 390 S CB 0.193 62.704 63.200 -1.148 0.000 0.910 390 S HN 0.721 nan 8.310 nan 0.000 0.491 391 H N 3.657 122.111 119.070 -1.027 0.000 2.439 391 H HA 0.330 4.894 4.556 0.013 0.000 0.230 391 H C -1.153 174.071 175.328 -0.173 0.000 1.420 391 H CA -0.338 55.499 56.048 -0.352 0.000 1.305 391 H CB -0.179 29.580 29.762 -0.006 0.000 1.667 391 H HN 0.893 nan 8.280 nan 0.000 0.515 392 Y N -2.868 117.537 120.300 0.175 0.000 2.765 392 Y HA 0.374 4.933 4.550 0.013 0.000 0.350 392 Y C -3.319 172.688 175.900 0.179 0.000 1.196 392 Y CA -2.993 55.218 58.100 0.185 0.000 1.119 392 Y CB 0.006 38.581 38.460 0.191 0.000 1.368 392 Y HN -0.081 nan 8.280 nan 0.000 0.463 393 P HA 0.148 nan 4.420 nan 0.000 0.269 393 P C -0.646 176.942 177.300 0.480 0.000 1.209 393 P CA 0.139 63.488 63.100 0.416 0.000 0.776 393 P CB 0.587 32.465 31.700 0.295 0.000 0.876 394 N N 0.388 119.383 118.700 0.491 0.000 2.447 394 N HA 0.095 4.843 4.740 0.013 0.000 0.271 394 N C 0.094 175.844 175.510 0.400 0.000 1.226 394 N CA -0.591 52.663 53.050 0.341 0.000 0.980 394 N CB 0.369 38.855 38.487 -0.001 0.000 1.206 394 N HN 0.603 nan 8.380 nan 0.000 0.558 395 H N 2.217 121.388 119.070 0.168 0.000 3.001 395 H HA -0.002 4.562 4.556 0.013 0.000 0.334 395 H C -1.632 173.861 175.328 0.274 0.000 1.034 395 H CA -0.736 55.396 56.048 0.139 0.000 1.420 395 H CB 1.008 30.817 29.762 0.078 0.000 1.405 395 H HN 0.438 nan 8.280 nan 0.000 0.593 396 P HA -0.204 nan 4.420 nan 0.000 0.216 396 P C 1.805 179.414 177.300 0.514 0.000 1.150 396 P CA 0.713 64.056 63.100 0.405 0.000 0.843 396 P CB 0.231 32.018 31.700 0.145 0.000 0.787 397 L N -1.032 120.569 121.223 0.630 0.000 2.275 397 L HA -0.038 4.310 4.340 0.013 0.000 0.215 397 L C 2.392 179.438 176.870 0.293 0.000 1.119 397 L CA 1.267 56.346 54.840 0.399 0.000 0.790 397 L CB -1.405 40.842 42.059 0.312 0.000 0.919 397 L HN 0.027 nan 8.230 nan 0.000 0.443 398 W N -0.520 120.805 121.300 0.043 0.000 2.338 398 W HA -0.338 4.330 4.660 0.013 0.000 0.304 398 W C 2.027 178.389 176.519 -0.260 0.000 1.212 398 W CA 1.896 59.128 57.345 -0.188 0.000 1.264 398 W CB -0.340 28.910 29.460 -0.351 0.000 1.142 398 W HN 0.273 nan 8.180 nan 0.000 0.512 399 Y N 0.851 121.093 120.300 -0.097 0.000 2.181 399 Y HA -0.220 4.338 4.550 0.013 0.000 0.288 399 Y C 2.857 178.554 175.900 -0.338 0.000 1.146 399 Y CA 2.166 59.990 58.100 -0.459 0.000 1.164 399 Y CB -1.344 36.488 38.460 -1.047 0.000 0.982 399 Y HN -0.219 nan 8.280 nan 0.000 0.515 400 T N 0.832 115.417 114.554 0.050 0.000 2.684 400 T HA -0.191 4.167 4.350 0.013 0.000 0.267 400 T C 2.022 176.769 174.700 0.079 0.000 1.036 400 T CA 1.644 63.845 62.100 0.169 0.000 1.148 400 T CB -0.640 68.364 68.868 0.225 0.000 0.863 400 T HN 0.230 nan 8.240 nan 0.000 0.436 401 L N 0.296 121.522 121.223 0.006 0.000 2.046 401 L HA -0.102 4.245 4.340 0.013 0.000 0.208 401 L C 2.893 179.729 176.870 -0.057 0.000 1.077 401 L CA 0.976 55.831 54.840 0.025 0.000 0.747 401 L CB -0.691 41.334 42.059 -0.056 0.000 0.896 401 L HN 0.375 nan 8.230 nan 0.000 0.432 402 C N -0.368 118.729 119.300 -0.338 0.000 2.435 402 C HA -0.115 4.352 4.460 0.013 0.000 0.279 402 C C 2.385 177.413 174.990 0.063 0.000 1.321 402 C CA 0.256 59.115 59.018 -0.265 0.000 1.752 402 C CB -0.790 26.683 27.740 -0.444 0.000 1.959 402 C HN 0.532 nan 8.230 nan 0.000 0.500 403 D N 0.638 121.083 120.400 0.075 0.000 2.117 403 D HA -0.098 4.550 4.640 0.013 0.000 0.197 403 D C 2.397 178.907 176.300 0.350 0.000 0.987 403 D CA 1.204 55.326 54.000 0.203 0.000 0.829 403 D CB -0.314 40.571 40.800 0.141 0.000 0.961 403 D HN 0.517 nan 8.370 nan 0.000 0.460 404 R N -0.973 119.633 120.500 0.176 0.000 2.075 404 R HA 0.001 4.349 4.340 0.013 0.000 0.226 404 R C 2.133 178.414 176.300 -0.032 0.000 1.114 404 R CA 0.639 56.778 56.100 0.065 0.000 0.972 404 R CB -0.188 30.080 30.300 -0.053 0.000 0.869 404 R HN 0.284 nan 8.270 nan 0.000 0.437 405 Y N -0.138 120.173 120.300 0.019 0.000 2.420 405 Y HA 0.171 4.729 4.550 0.013 0.000 0.292 405 Y C 0.964 176.795 175.900 -0.116 0.000 1.119 405 Y CA 0.708 58.791 58.100 -0.029 0.000 1.229 405 Y CB 0.662 39.077 38.460 -0.074 0.000 1.026 405 Y HN 0.235 nan 8.280 nan 0.000 0.554 406 G N 1.232 110.071 108.800 0.065 0.000 2.830 406 G HA2 -0.152 3.816 3.960 0.013 0.000 0.298 406 G HA3 -0.152 3.816 3.960 0.013 0.000 0.298 406 G C -1.196 173.557 174.900 -0.245 0.000 1.031 406 G CA -0.556 44.459 45.100 -0.142 0.000 1.179 406 G HN 0.172 nan 8.290 nan 0.000 0.527 407 L N 1.126 122.278 121.223 -0.118 0.000 2.455 407 L HA 0.502 4.850 4.340 0.013 0.000 0.264 407 L C 0.004 176.886 176.870 0.021 0.000 0.968 407 L CA -1.280 53.452 54.840 -0.180 0.000 0.827 407 L CB 2.020 43.993 42.059 -0.144 0.000 1.317 407 L HN 0.485 nan 8.230 nan 0.000 0.407 408 Y N 1.694 122.133 120.300 0.231 0.000 2.359 408 Y HA 0.410 4.968 4.550 0.015 0.000 0.330 408 Y C 0.159 176.191 175.900 0.221 0.000 1.143 408 Y CA -0.737 57.531 58.100 0.281 0.000 1.318 408 Y CB 1.403 40.002 38.460 0.232 0.000 1.234 408 Y HN 0.158 nan 8.280 nan 0.000 0.522 409 V N 4.211 124.320 119.914 0.326 0.000 2.604 409 V HA 0.315 4.442 4.120 0.013 0.000 0.305 409 V C -0.631 175.547 176.094 0.139 0.000 1.043 409 V CA -0.994 61.435 62.300 0.214 0.000 0.888 409 V CB 1.945 33.855 31.823 0.145 0.000 0.995 409 V HN 0.446 nan 8.190 nan 0.000 0.429 410 V N 3.193 123.157 119.914 0.083 0.000 2.333 410 V HA 0.348 4.476 4.120 0.013 0.000 0.274 410 V C -0.355 175.769 176.094 0.050 0.000 1.028 410 V CA -0.367 61.932 62.300 -0.001 0.000 0.851 410 V CB 1.491 33.209 31.823 -0.174 0.000 1.000 410 V HN 0.872 nan 8.190 nan 0.000 0.456 411 D N 4.175 124.643 120.400 0.112 0.000 2.249 411 D HA 0.319 4.967 4.640 0.013 0.000 0.246 411 D C -0.254 176.234 176.300 0.313 0.000 1.114 411 D CA -0.086 54.077 54.000 0.271 0.000 0.854 411 D CB 1.352 42.351 40.800 0.332 0.000 1.132 411 D HN 0.686 nan 8.370 nan 0.000 0.461 412 E N 1.875 122.228 120.200 0.255 0.000 2.210 412 E HA 0.615 4.973 4.350 0.013 0.000 0.266 412 E C -1.006 175.736 176.600 0.237 0.000 0.883 412 E CA -1.044 55.492 56.400 0.227 0.000 0.761 412 E CB 1.347 31.129 29.700 0.137 0.000 1.156 412 E HN 0.459 nan 8.360 nan 0.000 0.412 413 A N 3.883 126.837 122.820 0.223 0.000 2.483 413 A HA 0.048 4.376 4.320 0.013 0.000 0.238 413 A C 0.345 178.058 177.584 0.216 0.000 1.070 413 A CA -0.206 51.941 52.037 0.184 0.000 0.770 413 A CB 0.137 19.211 19.000 0.123 0.000 1.008 413 A HN 0.701 nan 8.150 nan 0.000 0.497 414 N N 1.265 120.099 118.700 0.222 0.000 3.178 414 N HA 0.252 5.000 4.740 0.013 0.000 0.300 414 N C -1.030 174.610 175.510 0.218 0.000 1.242 414 N CA 0.188 53.403 53.050 0.274 0.000 1.192 414 N CB -0.859 37.789 38.487 0.268 0.000 1.463 414 N HN 0.476 nan 8.380 nan 0.000 0.539 415 I N 0.793 121.487 120.570 0.207 0.000 2.503 415 I HA 0.271 4.449 4.170 0.013 0.000 0.282 415 I C -0.530 175.691 176.117 0.175 0.000 1.059 415 I CA -0.613 60.791 61.300 0.173 0.000 1.081 415 I CB 1.658 39.734 38.000 0.126 0.000 1.210 415 I HN 0.206 nan 8.210 nan 0.000 0.450 416 E N 4.396 124.688 120.200 0.153 0.000 2.274 416 E HA 0.403 4.761 4.350 0.013 0.000 0.269 416 E C -0.548 176.092 176.600 0.068 0.000 0.891 416 E CA -0.492 55.963 56.400 0.091 0.000 0.784 416 E CB 1.604 31.331 29.700 0.046 0.000 1.225 416 E HN 0.594 nan 8.360 nan 0.000 0.412 417 T N 0.869 115.453 114.554 0.050 0.000 3.448 417 T HA 0.199 4.556 4.350 0.013 0.000 0.271 417 T C 0.760 175.439 174.700 -0.034 0.000 1.002 417 T CA -0.385 61.761 62.100 0.077 0.000 0.995 417 T CB -0.422 68.497 68.868 0.086 0.000 1.153 417 T HN 0.555 nan 8.240 nan 0.000 0.510 418 N N 1.104 119.704 118.700 -0.167 0.000 2.137 418 N HA -0.107 4.641 4.740 0.013 0.000 0.190 418 N C 2.043 177.426 175.510 -0.211 0.000 1.017 418 N CA 1.318 54.248 53.050 -0.201 0.000 0.859 418 N CB -0.325 38.003 38.487 -0.265 0.000 1.002 418 N HN 0.620 nan 8.380 nan 0.000 0.428 419 G N -0.127 108.461 108.800 -0.353 0.000 2.848 419 G HA2 0.001 3.969 3.960 0.013 0.000 0.208 419 G HA3 0.001 3.969 3.960 0.013 0.000 0.208 419 G C 0.499 175.498 174.900 0.165 0.000 1.152 419 G CA -0.082 44.908 45.100 -0.183 0.000 0.789 419 G HN 0.147 nan 8.290 nan 0.000 0.531 420 M N 0.354 120.079 119.600 0.207 0.000 2.198 420 M HA 0.336 4.824 4.480 0.013 0.000 0.315 420 M C -0.371 175.943 176.300 0.024 0.000 1.134 420 M CA -0.267 55.112 55.300 0.131 0.000 1.171 420 M CB 1.425 34.059 32.600 0.057 0.000 1.413 420 M HN -0.209 nan 8.290 nan 0.000 0.467 421 V N 3.547 123.460 119.914 -0.002 0.000 2.482 421 V HA 0.370 4.498 4.120 0.013 0.000 0.295 421 V C -1.960 174.116 176.094 -0.030 0.000 1.026 421 V CA -1.318 60.968 62.300 -0.024 0.000 0.856 421 V CB 1.840 33.647 31.823 -0.028 0.000 1.001 421 V HN 0.734 nan 8.190 nan 0.000 0.424 422 P HA 0.210 nan 4.420 nan 0.000 0.274 422 P C 0.897 178.184 177.300 -0.022 0.000 1.260 422 P CA -0.436 62.647 63.100 -0.028 0.000 0.793 422 P CB 1.064 32.752 31.700 -0.020 0.000 1.048 423 M N 0.562 120.150 119.600 -0.019 0.000 2.296 423 M HA -0.141 4.347 4.480 0.013 0.000 0.265 423 M C 1.198 177.511 176.300 0.023 0.000 1.064 423 M CA 1.543 56.839 55.300 -0.006 0.000 1.109 423 M CB -0.447 32.145 32.600 -0.013 0.000 1.396 423 M HN 0.350 nan 8.290 nan 0.000 0.430 424 N N -0.059 118.660 118.700 0.032 0.000 2.313 424 N HA -0.076 4.672 4.740 0.013 0.000 0.207 424 N C 1.111 176.607 175.510 -0.024 0.000 1.141 424 N CA 0.149 53.226 53.050 0.045 0.000 0.830 424 N CB -0.716 37.818 38.487 0.079 0.000 1.008 424 N HN 0.357 nan 8.380 nan 0.000 0.481 425 R N 0.399 120.867 120.500 -0.053 0.000 2.117 425 R HA -0.005 4.343 4.340 0.013 0.000 0.243 425 R C 1.428 177.635 176.300 -0.156 0.000 1.143 425 R CA 1.344 57.390 56.100 -0.090 0.000 0.968 425 R CB -0.037 30.203 30.300 -0.099 0.000 0.863 425 R HN 0.294 nan 8.270 nan 0.000 0.444 426 L N -0.664 120.408 121.223 -0.251 0.000 2.202 426 L HA 0.002 4.350 4.340 0.013 0.000 0.205 426 L C 2.456 179.207 176.870 -0.199 0.000 1.083 426 L CA 1.269 55.849 54.840 -0.433 0.000 0.790 426 L CB -0.500 41.059 42.059 -0.834 0.000 0.942 426 L HN 0.352 nan 8.230 nan 0.000 0.452 427 T N -4.285 110.181 114.554 -0.146 0.000 3.007 427 T HA -0.162 4.196 4.350 0.013 0.000 0.270 427 T C 1.258 175.882 174.700 -0.126 0.000 1.107 427 T CA 1.207 63.207 62.100 -0.167 0.000 1.118 427 T CB -0.212 68.521 68.868 -0.225 0.000 0.889 427 T HN 0.118 nan 8.240 nan 0.000 0.506 428 D N 1.050 121.409 120.400 -0.068 0.000 2.349 428 D HA 0.098 4.746 4.640 0.013 0.000 0.214 428 D C -0.209 176.077 176.300 -0.024 0.000 1.063 428 D CA -0.209 53.759 54.000 -0.053 0.000 0.847 428 D CB -0.062 40.712 40.800 -0.043 0.000 0.933 428 D HN 0.315 nan 8.370 nan 0.000 0.513 429 D N -0.044 120.359 120.400 0.006 0.000 2.317 429 D HA 0.114 4.762 4.640 0.013 0.000 0.234 429 D C -1.655 174.698 176.300 0.089 0.000 1.112 429 D CA -2.210 51.830 54.000 0.067 0.000 0.840 429 D CB 1.973 42.861 40.800 0.147 0.000 1.078 429 D HN -0.021 nan 8.370 nan 0.000 0.486 430 P HA -0.107 nan 4.420 nan 0.000 0.222 430 P C 0.878 178.176 177.300 -0.004 0.000 1.147 430 P CA 0.667 63.775 63.100 0.012 0.000 0.790 430 P CB 0.291 31.987 31.700 -0.006 0.000 0.780 431 R N -1.761 118.743 120.500 0.006 0.000 2.280 431 R HA -0.035 4.313 4.340 0.013 0.000 0.207 431 R C 1.252 177.406 176.300 -0.244 0.000 1.043 431 R CA 0.854 56.884 56.100 -0.117 0.000 1.006 431 R CB -0.586 29.630 30.300 -0.140 0.000 0.885 431 R HN 0.345 nan 8.270 nan 0.000 0.467 432 W N 0.199 121.445 121.300 -0.090 0.000 3.239 432 W HA 0.166 4.833 4.660 0.012 0.000 0.348 432 W C 1.495 177.956 176.519 -0.097 0.000 1.183 432 W CA -0.579 56.711 57.345 -0.090 0.000 1.819 432 W CB 0.061 29.466 29.460 -0.092 0.000 1.091 432 W HN -0.017 nan 8.180 nan 0.000 0.629 433 L N 2.183 123.425 121.223 0.032 0.000 2.046 433 L HA -0.019 4.329 4.340 0.013 0.000 0.208 433 L C -0.669 176.165 176.870 -0.061 0.000 1.077 433 L CA 2.182 57.009 54.840 -0.022 0.000 0.747 433 L CB -1.534 40.502 42.059 -0.038 0.000 0.896 433 L HN -0.247 nan 8.230 nan 0.000 0.432 434 P HA -0.124 nan 4.420 nan 0.000 0.216 434 P C 1.568 178.813 177.300 -0.092 0.000 1.153 434 P CA 2.072 65.109 63.100 -0.105 0.000 0.848 434 P CB -0.210 31.417 31.700 -0.122 0.000 0.787 435 A N -0.926 121.852 122.820 -0.070 0.000 1.898 435 A HA -0.165 4.163 4.320 0.013 0.000 0.216 435 A C 2.256 179.852 177.584 0.020 0.000 1.181 435 A CA 1.827 53.857 52.037 -0.011 0.000 0.620 435 A CB -1.451 17.579 19.000 0.049 0.000 0.819 435 A HN 0.090 nan 8.150 nan 0.000 0.442 436 M N 0.468 120.089 119.600 0.035 0.000 2.132 436 M HA -0.158 4.330 4.480 0.013 0.000 0.263 436 M C 2.537 178.782 176.300 -0.092 0.000 1.065 436 M CA 1.723 57.019 55.300 -0.007 0.000 1.122 436 M CB -0.410 32.167 32.600 -0.039 0.000 1.365 436 M HN 0.670 nan 8.290 nan 0.000 0.411 437 S N 0.420 116.038 115.700 -0.138 0.000 2.365 437 S HA -0.224 4.254 4.470 0.013 0.000 0.225 437 S C 1.631 176.059 174.600 -0.288 0.000 1.039 437 S CA 1.682 59.729 58.200 -0.254 0.000 1.033 437 S CB -0.772 62.255 63.200 -0.288 0.000 0.887 437 S HN 0.533 nan 8.310 nan 0.000 0.447 438 E N 1.122 121.206 120.200 -0.194 0.000 2.153 438 E HA -0.111 4.247 4.350 0.013 0.000 0.194 438 E C 2.451 178.963 176.600 -0.147 0.000 0.988 438 E CA 1.024 57.318 56.400 -0.177 0.000 0.811 438 E CB -0.145 29.488 29.700 -0.111 0.000 0.746 438 E HN 0.575 nan 8.360 nan 0.000 0.466 439 R N 0.039 120.483 120.500 -0.093 0.000 2.115 439 R HA -0.076 4.271 4.340 0.013 0.000 0.230 439 R C 2.307 178.563 176.300 -0.072 0.000 1.111 439 R CA 0.773 56.849 56.100 -0.041 0.000 0.976 439 R CB -0.036 30.281 30.300 0.029 0.000 0.870 439 R HN 0.024 nan 8.270 nan 0.000 0.445 440 V N 0.330 120.156 119.914 -0.146 0.000 2.331 440 V HA -0.193 3.935 4.120 0.013 0.000 0.242 440 V C 2.532 178.437 176.094 -0.315 0.000 1.034 440 V CA 2.174 64.364 62.300 -0.182 0.000 1.027 440 V CB -0.379 31.320 31.823 -0.206 0.000 0.667 440 V HN 0.535 nan 8.190 nan 0.000 0.457 441 T N -0.765 113.469 114.554 -0.533 0.000 2.746 441 T HA -0.246 4.111 4.350 0.013 0.000 0.267 441 T C 1.941 176.470 174.700 -0.285 0.000 1.039 441 T CA 1.428 63.119 62.100 -0.682 0.000 1.142 441 T CB -0.423 67.830 68.868 -1.025 0.000 0.866 441 T HN 0.392 nan 8.240 nan 0.000 0.444 442 R N 0.236 120.600 120.500 -0.226 0.000 2.189 442 R HA 0.219 4.567 4.340 0.013 0.000 0.218 442 R C 2.607 178.825 176.300 -0.135 0.000 1.074 442 R CA 1.243 57.248 56.100 -0.158 0.000 0.991 442 R CB -0.425 29.790 30.300 -0.141 0.000 0.883 442 R HN 0.523 nan 8.270 nan 0.000 0.457 443 M N 0.393 119.920 119.600 -0.121 0.000 2.123 443 M HA -0.116 4.372 4.480 0.013 0.000 0.263 443 M C 1.776 178.000 176.300 -0.127 0.000 1.069 443 M CA 1.599 56.860 55.300 -0.065 0.000 1.133 443 M CB 0.145 32.752 32.600 0.011 0.000 1.356 443 M HN -0.040 nan 8.290 nan 0.000 0.415 444 V N 1.137 120.873 119.914 -0.297 0.000 2.427 444 V HA -0.263 3.865 4.120 0.013 0.000 0.248 444 V C 2.252 178.222 176.094 -0.205 0.000 1.051 444 V CA 1.903 63.885 62.300 -0.530 0.000 1.048 444 V CB -0.889 30.573 31.823 -0.603 0.000 0.666 444 V HN 0.593 nan 8.190 nan 0.000 0.456 445 Q N -0.533 119.188 119.800 -0.132 0.000 2.226 445 Q HA -0.204 4.144 4.340 0.013 0.000 0.204 445 Q C 2.411 178.319 176.000 -0.154 0.000 0.975 445 Q CA 1.382 57.114 55.803 -0.118 0.000 0.866 445 Q CB -0.161 28.532 28.738 -0.075 0.000 0.915 445 Q HN 0.544 nan 8.270 nan 0.000 0.440 446 R N 0.227 120.634 120.500 -0.154 0.000 2.140 446 R HA -0.061 4.287 4.340 0.013 0.000 0.213 446 R C 0.309 176.537 176.300 -0.120 0.000 1.059 446 R CA 1.008 56.997 56.100 -0.186 0.000 1.000 446 R CB 0.557 30.745 30.300 -0.187 0.000 0.910 446 R HN 0.098 nan 8.270 nan 0.000 0.455 447 D N -0.181 120.213 120.400 -0.011 0.000 2.431 447 D HA 0.016 4.663 4.640 0.013 0.000 0.213 447 D C 1.194 177.614 176.300 0.200 0.000 1.130 447 D CA 0.016 54.060 54.000 0.074 0.000 0.834 447 D CB 0.389 41.181 40.800 -0.013 0.000 0.985 447 D HN 0.328 nan 8.370 nan 0.000 0.504 448 R N 0.528 121.145 120.500 0.194 0.000 2.241 448 R HA 0.005 4.353 4.340 0.013 0.000 0.224 448 R C 0.627 176.930 176.300 0.007 0.000 1.101 448 R CA 0.935 57.160 56.100 0.209 0.000 0.995 448 R CB -0.215 30.138 30.300 0.087 0.000 0.870 448 R HN -0.101 nan 8.270 nan 0.000 0.463 449 N N 0.283 118.911 118.700 -0.120 0.000 2.280 449 N HA 0.012 4.760 4.740 0.013 0.000 0.192 449 N C -0.607 174.785 175.510 -0.197 0.000 1.109 449 N CA 0.176 53.130 53.050 -0.160 0.000 0.855 449 N CB 0.150 38.511 38.487 -0.209 0.000 0.974 449 N HN 0.275 nan 8.380 nan 0.000 0.482 450 H N 1.377 120.386 119.070 -0.103 0.000 2.723 450 H HA 0.117 4.681 4.556 0.013 0.000 0.294 450 H C -1.197 173.981 175.328 -0.250 0.000 1.079 450 H CA -1.345 54.626 56.048 -0.129 0.000 1.411 450 H CB 1.555 31.274 29.762 -0.072 0.000 1.439 450 H HN 0.040 nan 8.280 nan 0.000 0.474 451 P HA -0.170 nan 4.420 nan 0.000 0.218 451 P C 1.468 178.272 177.300 -0.827 0.000 1.148 451 P CA 1.223 63.948 63.100 -0.626 0.000 0.822 451 P CB 0.273 31.337 31.700 -1.059 0.000 0.784 452 S N -0.743 114.590 115.700 -0.611 0.000 2.399 452 S HA -0.060 4.418 4.470 0.013 0.000 0.231 452 S C 1.138 175.706 174.600 -0.052 0.000 1.022 452 S CA 0.482 58.519 58.200 -0.272 0.000 0.983 452 S CB -1.584 61.600 63.200 -0.027 0.000 0.803 452 S HN -0.049 nan 8.310 nan 0.000 0.480 453 V N 3.665 123.523 119.914 -0.094 0.000 2.479 453 V HA 0.205 4.333 4.120 0.013 0.000 0.281 453 V C 1.115 177.077 176.094 -0.220 0.000 1.031 453 V CA 0.165 62.376 62.300 -0.150 0.000 1.038 453 V CB 0.371 32.008 31.823 -0.309 0.000 0.981 453 V HN 0.640 nan 8.190 nan 0.000 0.478 454 I N 2.575 123.066 120.570 -0.130 0.000 4.323 454 I HA 0.514 4.692 4.170 0.013 0.000 0.328 454 I C 0.349 176.355 176.117 -0.185 0.000 1.310 454 I CA 0.440 61.672 61.300 -0.113 0.000 1.186 454 I CB 0.506 38.521 38.000 0.025 0.000 1.130 454 I HN 0.322 nan 8.210 nan 0.000 0.411 455 I N 0.289 120.725 120.570 -0.224 0.000 2.656 455 I HA 0.364 4.542 4.170 0.013 0.000 0.292 455 I C -1.578 174.430 176.117 -0.181 0.000 1.144 455 I CA -0.380 60.826 61.300 -0.156 0.000 1.038 455 I CB 2.117 40.122 38.000 0.009 0.000 1.244 455 I HN 0.020 nan 8.210 nan 0.000 0.420 456 W N 4.065 125.415 121.300 0.085 0.000 2.496 456 W HA 0.639 5.305 4.660 0.011 0.000 0.327 456 W C 0.392 176.979 176.519 0.114 0.000 1.086 456 W CA -0.635 56.767 57.345 0.094 0.000 1.222 456 W CB 1.692 31.204 29.460 0.086 0.000 1.304 456 W HN 0.314 nan 8.180 nan 0.000 0.547 457 S N 2.572 118.506 115.700 0.390 0.000 2.503 457 S HA 0.423 4.901 4.470 0.013 0.000 0.301 457 S C 0.236 175.014 174.600 0.297 0.000 1.087 457 S CA -0.724 57.659 58.200 0.304 0.000 1.042 457 S CB 0.885 64.217 63.200 0.220 0.000 1.043 457 S HN 0.581 nan 8.310 nan 0.000 0.489 458 L N 3.812 125.212 121.223 0.295 0.000 2.610 458 L HA 0.345 4.693 4.340 0.013 0.000 0.232 458 L C 1.371 178.330 176.870 0.149 0.000 1.149 458 L CA 0.477 55.410 54.840 0.155 0.000 0.872 458 L CB -1.212 40.821 42.059 -0.043 0.000 0.992 458 L HN 1.003 nan 8.230 nan 0.000 0.447 459 G N 0.096 109.069 108.800 0.288 0.000 2.280 459 G HA2 -0.135 3.833 3.960 0.013 0.000 0.277 459 G HA3 -0.135 3.833 3.960 0.013 0.000 0.277 459 G C -1.615 173.507 174.900 0.370 0.000 1.288 459 G CA -0.553 44.717 45.100 0.284 0.000 1.075 459 G HN 0.189 nan 8.290 nan 0.000 0.480 460 N N 0.029 118.886 118.700 0.262 0.000 2.331 460 N HA 0.479 5.227 4.740 0.013 0.000 0.280 460 N C -0.408 175.100 175.510 -0.003 0.000 1.155 460 N CA 0.101 53.164 53.050 0.021 0.000 0.822 460 N CB 1.602 39.829 38.487 -0.434 0.000 1.619 460 N HN 0.899 nan 8.380 nan 0.000 0.476 461 E N 0.635 120.773 120.200 -0.104 0.000 2.160 461 E HA -0.180 4.178 4.350 0.013 0.000 0.180 461 E C -0.828 175.785 176.600 0.023 0.000 1.452 461 E CA 0.753 57.095 56.400 -0.096 0.000 0.683 461 E CB -1.265 28.316 29.700 -0.197 0.000 1.072 461 E HN 0.427 nan 8.360 nan 0.000 0.332 462 S N 0.102 115.917 115.700 0.192 0.000 2.941 462 S HA 0.389 4.867 4.470 0.013 0.000 0.251 462 S C 0.642 175.426 174.600 0.306 0.000 1.029 462 S CA -0.148 58.200 58.200 0.246 0.000 1.062 462 S CB 1.369 64.773 63.200 0.341 0.000 0.977 462 S HN 0.843 nan 8.310 nan 0.000 0.552 463 G N 1.997 110.914 108.800 0.196 0.000 2.598 463 G HA2 -0.274 3.694 3.960 0.013 0.000 0.269 463 G HA3 -0.274 3.694 3.960 0.013 0.000 0.269 463 G C -0.479 174.632 174.900 0.353 0.000 1.289 463 G CA -0.069 45.143 45.100 0.187 0.000 0.926 463 G HN 0.649 nan 8.290 nan 0.000 0.567 464 H N 0.418 119.611 119.070 0.206 0.000 2.800 464 H HA 0.564 5.128 4.556 0.013 0.000 0.322 464 H C 0.354 175.849 175.328 0.278 0.000 0.979 464 H CA -0.161 56.042 56.048 0.259 0.000 1.277 464 H CB 0.570 30.423 29.762 0.152 0.000 1.484 464 H HN 0.981 nan 8.280 nan 0.000 0.512 465 G N 1.608 110.563 108.800 0.259 0.000 2.511 465 G HA2 0.442 4.410 3.960 0.013 0.000 0.318 465 G HA3 0.442 4.410 3.960 0.013 0.000 0.318 465 G C 0.621 175.429 174.900 -0.153 0.000 1.210 465 G CA -0.147 44.922 45.100 -0.052 0.000 0.969 465 G HN 0.691 nan 8.290 nan 0.000 0.484 466 A N 0.702 123.439 122.820 -0.139 0.000 2.024 466 A HA -0.098 4.230 4.320 0.013 0.000 0.220 466 A C 2.142 179.707 177.584 -0.032 0.000 1.164 466 A CA 1.798 53.788 52.037 -0.078 0.000 0.643 466 A CB -0.400 18.571 19.000 -0.047 0.000 0.806 466 A HN 0.547 nan 8.150 nan 0.000 0.451 467 N N -0.213 118.434 118.700 -0.089 0.000 2.149 467 N HA -0.153 4.595 4.740 0.013 0.000 0.188 467 N C 1.381 176.833 175.510 -0.097 0.000 1.019 467 N CA 1.750 54.731 53.050 -0.114 0.000 0.857 467 N CB -0.655 37.722 38.487 -0.185 0.000 0.997 467 N HN 0.789 nan 8.380 nan 0.000 0.426 468 H N 0.115 119.178 119.070 -0.011 0.000 2.389 468 H HA -0.012 4.551 4.556 0.013 0.000 0.299 468 H C 1.223 176.625 175.328 0.124 0.000 1.081 468 H CA 1.156 57.206 56.048 0.003 0.000 1.345 468 H CB 0.188 29.971 29.762 0.035 0.000 1.393 468 H HN 0.189 nan 8.280 nan 0.000 0.520 469 D N 0.365 120.925 120.400 0.267 0.000 2.117 469 D HA -0.124 4.524 4.640 0.013 0.000 0.197 469 D C 2.311 178.761 176.300 0.251 0.000 0.987 469 D CA 1.171 55.324 54.000 0.254 0.000 0.829 469 D CB -0.386 40.523 40.800 0.182 0.000 0.961 469 D HN 0.420 nan 8.370 nan 0.000 0.460 470 A N 0.838 123.756 122.820 0.163 0.000 1.902 470 A HA -0.123 4.205 4.320 0.013 0.000 0.217 470 A C 2.414 180.110 177.584 0.186 0.000 1.181 470 A CA 0.958 53.083 52.037 0.146 0.000 0.623 470 A CB -0.759 18.284 19.000 0.072 0.000 0.818 470 A HN 0.199 nan 8.150 nan 0.000 0.443 471 L N -2.112 119.205 121.223 0.157 0.000 2.156 471 L HA -0.137 4.211 4.340 0.013 0.000 0.208 471 L C 2.563 179.580 176.870 0.246 0.000 1.095 471 L CA 1.451 56.384 54.840 0.156 0.000 0.770 471 L CB -0.626 41.453 42.059 0.034 0.000 0.914 471 L HN 0.628 nan 8.230 nan 0.000 0.439 472 Y N 1.236 121.624 120.300 0.147 0.000 2.128 472 Y HA -0.328 4.229 4.550 0.010 0.000 0.284 472 Y C 2.791 178.777 175.900 0.144 0.000 1.154 472 Y CA 1.777 59.966 58.100 0.149 0.000 1.149 472 Y CB -0.153 38.396 38.460 0.148 0.000 0.976 472 Y HN -0.036 nan 8.280 nan 0.000 0.505 473 R N -0.161 120.462 120.500 0.204 0.000 2.092 473 R HA -0.195 4.153 4.340 0.013 0.000 0.231 473 R C 2.045 178.360 176.300 0.025 0.000 1.119 473 R CA 1.910 58.054 56.100 0.074 0.000 0.970 473 R CB -1.418 29.001 30.300 0.198 0.000 0.864 473 R HN 0.655 nan 8.270 nan 0.000 0.440 474 W N 0.366 121.628 121.300 -0.063 0.000 2.358 474 W HA -0.120 4.548 4.660 0.014 0.000 0.303 474 W C 1.572 178.003 176.519 -0.147 0.000 1.208 474 W CA 1.821 59.114 57.345 -0.087 0.000 1.274 474 W CB -0.190 29.223 29.460 -0.078 0.000 1.138 474 W HN 0.075 nan 8.180 nan 0.000 0.515 475 I N 0.896 121.487 120.570 0.035 0.000 2.252 475 I HA -0.330 3.848 4.170 0.013 0.000 0.245 475 I C 2.398 178.309 176.117 -0.342 0.000 1.102 475 I CA 1.301 62.453 61.300 -0.248 0.000 1.385 475 I CB -0.680 37.245 38.000 -0.124 0.000 1.064 475 I HN -0.118 nan 8.210 nan 0.000 0.414 476 K N 0.664 120.879 120.400 -0.308 0.000 2.152 476 K HA -0.104 4.224 4.320 0.013 0.000 0.206 476 K C 2.207 178.670 176.600 -0.228 0.000 1.048 476 K CA 1.325 57.450 56.287 -0.270 0.000 0.933 476 K CB -0.376 31.925 32.500 -0.331 0.000 0.721 476 K HN 0.294 nan 8.250 nan 0.000 0.447 477 S N 0.999 116.530 115.700 -0.283 0.000 2.362 477 S HA -0.086 4.392 4.470 0.013 0.000 0.221 477 S C 2.225 176.614 174.600 -0.352 0.000 1.032 477 S CA 1.191 59.229 58.200 -0.271 0.000 0.973 477 S CB -0.321 62.718 63.200 -0.268 0.000 0.849 477 S HN 0.299 nan 8.310 nan 0.000 0.465 478 V N 0.302 119.853 119.914 -0.606 0.000 2.667 478 V HA 0.089 4.217 4.120 0.013 0.000 0.252 478 V C 0.299 176.159 176.094 -0.391 0.000 1.065 478 V CA 1.649 63.576 62.300 -0.621 0.000 1.083 478 V CB -0.353 30.838 31.823 -1.054 0.000 0.692 478 V HN 0.336 nan 8.190 nan 0.000 0.468 479 D N 0.373 120.591 120.400 -0.304 0.000 2.364 479 D HA 0.375 5.023 4.640 0.013 0.000 0.251 479 D C -2.170 174.116 176.300 -0.023 0.000 1.282 479 D CA -1.790 52.142 54.000 -0.114 0.000 0.927 479 D CB 1.633 42.444 40.800 0.018 0.000 1.267 479 D HN 0.182 nan 8.370 nan 0.000 0.531 480 P HA -0.034 nan 4.420 nan 0.000 0.237 480 P C 1.039 178.358 177.300 0.032 0.000 1.178 480 P CA 0.438 63.532 63.100 -0.011 0.000 0.766 480 P CB 0.098 31.785 31.700 -0.021 0.000 0.876 481 S N -1.482 114.248 115.700 0.050 0.000 2.562 481 S HA 0.089 4.567 4.470 0.013 0.000 0.221 481 S C 0.872 175.503 174.600 0.051 0.000 0.975 481 S CA -0.147 58.087 58.200 0.056 0.000 0.918 481 S CB -0.317 62.910 63.200 0.045 0.000 0.772 481 S HN 0.070 nan 8.310 nan 0.000 0.531 482 R N 1.060 121.605 120.500 0.074 0.000 2.621 482 R HA 0.545 4.892 4.340 0.013 0.000 0.284 482 R C -3.228 173.124 176.300 0.087 0.000 0.998 482 R CA -2.196 53.915 56.100 0.019 0.000 0.895 482 R CB 1.538 31.741 30.300 -0.162 0.000 1.195 482 R HN 0.125 nan 8.270 nan 0.000 0.450 483 P HA 0.085 nan 4.420 nan 0.000 0.272 483 P C -0.843 176.563 177.300 0.177 0.000 1.230 483 P CA -0.364 62.801 63.100 0.109 0.000 0.788 483 P CB 0.684 32.435 31.700 0.085 0.000 0.949 484 V N 2.405 122.451 119.914 0.219 0.000 2.513 484 V HA 0.436 4.564 4.120 0.013 0.000 0.299 484 V C 0.217 176.499 176.094 0.314 0.000 1.035 484 V CA -0.312 62.167 62.300 0.299 0.000 0.889 484 V CB 1.171 33.142 31.823 0.246 0.000 0.988 484 V HN 0.618 nan 8.190 nan 0.000 0.440 485 Q N 3.588 123.555 119.800 0.278 0.000 2.484 485 Q HA 0.822 5.170 4.340 0.013 0.000 0.285 485 Q C -1.839 174.325 176.000 0.273 0.000 1.097 485 Q CA -0.947 54.984 55.803 0.214 0.000 0.802 485 Q CB 2.992 31.803 28.738 0.122 0.000 1.444 485 Q HN 0.643 nan 8.270 nan 0.000 0.429 486 Y N 0.065 120.380 120.300 0.025 0.000 2.337 486 Y HA 0.118 4.675 4.550 0.012 0.000 0.318 486 Y C -0.682 175.166 175.900 -0.087 0.000 1.258 486 Y CA -0.688 57.396 58.100 -0.027 0.000 1.132 486 Y CB 1.817 40.250 38.460 -0.046 0.000 1.307 486 Y HN 0.953 nan 8.280 nan 0.000 0.428 487 E N 3.390 123.098 120.200 -0.821 0.000 2.318 487 E HA 0.138 4.496 4.350 0.013 0.000 0.193 487 E C 0.684 176.872 176.600 -0.687 0.000 0.998 487 E CA 0.795 56.840 56.400 -0.592 0.000 0.859 487 E CB 0.268 29.755 29.700 -0.356 0.000 0.812 487 E HN 0.875 nan 8.360 nan 0.000 0.492 488 G N -0.180 107.843 108.800 -1.295 0.000 2.484 488 G HA2 0.254 4.222 3.960 0.013 0.000 0.235 488 G HA3 0.254 4.222 3.960 0.013 0.000 0.235 488 G C 0.771 175.547 174.900 -0.206 0.000 1.282 488 G CA 0.273 45.020 45.100 -0.587 0.000 0.857 488 G HN 0.341 nan 8.290 nan 0.000 0.571 489 G N -0.575 108.201 108.800 -0.040 0.000 2.160 489 G HA2 0.241 4.209 3.960 0.013 0.000 0.251 489 G HA3 0.241 4.209 3.960 0.013 0.000 0.251 489 G C 1.253 176.173 174.900 0.032 0.000 1.008 489 G CA 0.949 46.084 45.100 0.058 0.000 0.724 489 G HN 2.627 nan 8.290 nan 0.000 0.514 490 G N -1.419 107.393 108.800 0.020 0.000 2.192 490 G HA2 0.412 4.380 3.960 0.013 0.000 0.193 490 G HA3 0.412 4.380 3.960 0.013 0.000 0.193 490 G C 1.136 176.174 174.900 0.229 0.000 0.999 490 G CA 1.255 46.428 45.100 0.121 0.000 0.659 490 G HN 2.364 nan 8.290 nan 0.000 0.503 491 A N -0.311 122.527 122.820 0.030 0.000 3.420 491 A HA -0.113 4.215 4.320 0.013 0.000 0.269 491 A C 1.124 178.661 177.584 -0.078 0.000 1.122 491 A CA 2.659 54.653 52.037 -0.073 0.000 1.023 491 A CB -1.723 17.215 19.000 -0.102 0.000 1.099 491 A HN 2.138 nan 8.150 nan 0.000 0.860 492 D N -1.235 119.199 120.400 0.056 0.000 2.712 492 D HA 0.290 4.938 4.640 0.013 0.000 0.300 492 D C 0.390 176.702 176.300 0.019 0.000 1.521 492 D CA 0.779 54.815 54.000 0.060 0.000 0.790 492 D CB -1.195 39.793 40.800 0.313 0.000 1.155 492 D HN 0.808 nan 8.370 nan 0.000 0.456 493 T N -2.272 112.227 114.554 -0.093 0.000 2.698 493 T HA 0.205 4.563 4.350 0.013 0.000 0.295 493 T C 1.578 176.153 174.700 -0.209 0.000 1.007 493 T CA 0.483 62.458 62.100 -0.208 0.000 0.980 493 T CB 0.820 69.319 68.868 -0.614 0.000 1.036 493 T HN 0.086 nan 8.240 nan 0.000 0.526 494 T N -2.701 111.729 114.554 -0.207 0.000 3.160 494 T HA 0.253 4.611 4.350 0.013 0.000 0.257 494 T C 1.454 175.910 174.700 -0.407 0.000 1.147 494 T CA 0.195 62.179 62.100 -0.193 0.000 1.064 494 T CB -0.473 68.369 68.868 -0.044 0.000 0.949 494 T HN 0.829 nan 8.240 nan 0.000 0.526 495 A N 0.510 123.103 122.820 -0.379 0.000 2.507 495 A HA 0.519 4.847 4.320 0.013 0.000 0.270 495 A C 0.775 178.205 177.584 -0.257 0.000 1.318 495 A CA -0.340 51.460 52.037 -0.395 0.000 0.924 495 A CB 0.011 19.024 19.000 0.022 0.000 1.061 495 A HN 0.425 nan 8.150 nan 0.000 0.516 496 T N -1.367 113.039 114.554 -0.247 0.000 2.971 496 T HA 0.352 4.710 4.350 0.013 0.000 0.304 496 T C -0.584 174.141 174.700 0.043 0.000 1.038 496 T CA -0.445 61.662 62.100 0.011 0.000 1.007 496 T CB 1.191 70.058 68.868 -0.001 0.000 1.055 496 T HN 0.095 nan 8.240 nan 0.000 0.451 497 D N 2.943 123.456 120.400 0.188 0.000 2.347 497 D HA 0.243 4.891 4.640 0.013 0.000 0.213 497 D C 0.392 176.729 176.300 0.063 0.000 0.985 497 D CA 0.791 54.885 54.000 0.156 0.000 0.879 497 D CB 0.380 41.298 40.800 0.198 0.000 0.919 497 D HN 0.549 nan 8.370 nan 0.000 0.526 498 I N 0.860 121.448 120.570 0.030 0.000 2.582 498 I HA 0.250 4.428 4.170 0.013 0.000 0.292 498 I C -0.220 175.836 176.117 -0.102 0.000 1.066 498 I CA -0.902 60.380 61.300 -0.030 0.000 1.053 498 I CB 2.850 40.843 38.000 -0.010 0.000 1.241 498 I HN -0.351 nan 8.210 nan 0.000 0.421 499 I N 5.619 126.081 120.570 -0.180 0.000 2.494 499 I HA 0.052 4.230 4.170 0.013 0.000 0.289 499 I C 0.265 176.175 176.117 -0.345 0.000 1.106 499 I CA 0.000 61.093 61.300 -0.345 0.000 1.369 499 I CB 0.139 37.822 38.000 -0.528 0.000 1.410 499 I HN 0.689 nan 8.210 nan 0.000 0.523 500 C N 5.497 124.613 119.300 -0.308 0.000 3.290 500 C HA 0.445 4.912 4.460 0.013 0.000 0.206 500 C C -2.100 172.764 174.990 -0.211 0.000 1.639 500 C CA -2.317 56.575 59.018 -0.210 0.000 1.408 500 C CB -1.021 26.655 27.740 -0.106 0.000 2.197 500 C HN 0.423 nan 8.230 nan 0.000 0.508 501 P HA 0.213 nan 4.420 nan 0.000 0.270 501 P C -0.369 176.880 177.300 -0.085 0.000 1.223 501 P CA 0.669 63.673 63.100 -0.161 0.000 0.785 501 P CB 0.678 32.292 31.700 -0.143 0.000 0.923 502 M N 0.591 120.162 119.600 -0.048 0.000 2.181 502 M HA 0.433 4.921 4.480 0.013 0.000 0.323 502 M C -0.735 175.535 176.300 -0.050 0.000 1.004 502 M CA -0.716 54.433 55.300 -0.251 0.000 0.941 502 M CB 1.162 33.615 32.600 -0.246 0.000 1.579 502 M HN 0.342 nan 8.290 nan 0.000 0.427 503 Y N -0.252 120.223 120.300 0.291 0.000 4.490 503 Y HA -0.220 4.339 4.550 0.014 0.000 0.233 503 Y C 0.512 176.594 175.900 0.303 0.000 1.101 503 Y CA 0.380 58.656 58.100 0.294 0.000 2.010 503 Y CB -2.175 36.435 38.460 0.251 0.000 1.622 503 Y HN 0.971 nan 8.280 nan 0.000 0.675 504 A N 1.100 124.146 122.820 0.376 0.000 2.425 504 A HA 0.591 4.919 4.320 0.013 0.000 0.249 504 A C 0.709 178.527 177.584 0.390 0.000 1.084 504 A CA -0.455 51.809 52.037 0.379 0.000 0.781 504 A CB 0.425 19.691 19.000 0.442 0.000 1.019 504 A HN 0.423 nan 8.150 nan 0.000 0.490 505 R N 1.285 121.943 120.500 0.264 0.000 2.583 505 R HA 0.327 4.675 4.340 0.013 0.000 0.268 505 R C 1.014 177.297 176.300 -0.028 0.000 1.101 505 R CA -0.693 55.492 56.100 0.142 0.000 1.180 505 R CB 0.544 30.890 30.300 0.078 0.000 1.128 505 R HN 0.483 nan 8.270 nan 0.000 0.568 506 V N 0.598 120.319 119.914 -0.321 0.000 2.323 506 V HA -0.186 3.942 4.120 0.013 0.000 0.244 506 V C 0.915 176.894 176.094 -0.192 0.000 1.041 506 V CA 1.861 63.938 62.300 -0.373 0.000 1.025 506 V CB -0.260 31.209 31.823 -0.590 0.000 0.656 506 V HN 0.734 nan 8.190 nan 0.000 0.451 507 D N -1.484 118.837 120.400 -0.132 0.000 2.473 507 D HA 0.096 4.744 4.640 0.013 0.000 0.230 507 D C 0.919 177.205 176.300 -0.023 0.000 1.097 507 D CA 0.054 54.012 54.000 -0.071 0.000 0.861 507 D CB 0.663 41.425 40.800 -0.063 0.000 1.114 507 D HN 0.468 nan 8.370 nan 0.000 0.500 508 E N 2.059 122.248 120.200 -0.017 0.000 2.167 508 E HA 0.097 4.455 4.350 0.013 0.000 0.284 508 E C -0.799 175.805 176.600 0.005 0.000 1.016 508 E CA -0.561 55.838 56.400 -0.002 0.000 0.817 508 E CB 0.841 30.540 29.700 -0.002 0.000 1.080 508 E HN -0.162 nan 8.360 nan 0.000 0.397 509 D N 3.754 124.160 120.400 0.010 0.000 2.339 509 D HA 0.107 4.755 4.640 0.013 0.000 0.245 509 D C -0.527 175.668 176.300 -0.175 0.000 1.115 509 D CA 0.279 54.278 54.000 -0.002 0.000 0.917 509 D CB 1.086 41.957 40.800 0.118 0.000 1.192 509 D HN 0.437 nan 8.370 nan 0.000 0.428 510 Q N 1.423 120.987 119.800 -0.394 0.000 2.771 510 Q HA 0.237 4.585 4.340 0.013 0.000 0.247 510 Q C -2.226 173.095 176.000 -1.131 0.000 0.986 510 Q CA -1.479 53.875 55.803 -0.748 0.000 0.713 510 Q CB 2.444 30.717 28.738 -0.775 0.000 1.241 510 Q HN 0.179 nan 8.270 nan 0.000 0.488 511 P HA -0.014 nan 4.420 nan 0.000 0.225 511 P C -0.635 176.353 177.300 -0.521 0.000 1.768 511 P CA -0.021 62.638 63.100 -0.734 0.000 0.943 511 P CB -0.564 30.916 31.700 -0.366 0.000 1.936 512 F N 2.108 121.882 119.950 -0.292 0.000 2.553 512 F HA 0.133 4.668 4.527 0.013 0.000 0.356 512 F C -1.104 174.585 175.800 -0.185 0.000 1.142 512 F CA -2.254 55.632 58.000 -0.190 0.000 1.322 512 F CB -0.547 38.353 39.000 -0.167 0.000 1.126 512 F HN 0.061 nan 8.300 nan 0.000 0.599 513 P HA 0.146 nan 4.420 nan 0.000 0.271 513 P C 0.250 177.564 177.300 0.024 0.000 1.216 513 P CA 0.784 63.900 63.100 0.026 0.000 0.776 513 P CB 1.283 32.996 31.700 0.022 0.000 0.881 514 A N 2.791 125.618 122.820 0.012 0.000 2.070 514 A HA -0.248 4.080 4.320 0.013 0.000 0.231 514 A C 0.736 178.329 177.584 0.016 0.000 0.501 514 A CA 2.019 54.068 52.037 0.020 0.000 1.119 514 A CB -2.731 16.280 19.000 0.019 0.000 1.430 514 A HN 0.720 nan 8.150 nan 0.000 0.706 515 V N -2.854 117.064 119.914 0.007 0.000 2.454 515 V HA 0.570 4.698 4.120 0.013 0.000 0.255 515 V C -2.299 173.795 176.094 0.000 0.000 1.009 515 V CA -1.286 61.019 62.300 0.009 0.000 1.149 515 V CB 0.573 32.404 31.823 0.013 0.000 1.418 515 V HN 0.512 nan 8.190 nan 0.000 0.567 516 P HA 0.246 nan 4.420 nan 0.000 0.270 516 P C -0.599 176.301 177.300 -0.668 0.000 1.223 516 P CA 0.105 62.846 63.100 -0.599 0.000 0.785 516 P CB 1.010 31.872 31.700 -1.398 0.000 0.923 517 K N 2.079 122.132 120.400 -0.577 0.000 2.423 517 K HA 0.199 4.527 4.320 0.013 0.000 0.234 517 K C -0.421 175.914 176.600 -0.442 0.000 1.051 517 K CA -0.277 55.864 56.287 -0.244 0.000 1.021 517 K CB 0.285 32.904 32.500 0.199 0.000 1.474 517 K HN 0.465 nan 8.250 nan 0.000 0.474 518 W N 1.368 122.350 121.300 -0.531 0.000 2.112 518 W HA 0.029 4.698 4.660 0.015 0.000 0.349 518 W C 1.362 177.898 176.519 0.027 0.000 1.289 518 W CA -0.409 56.733 57.345 -0.338 0.000 1.256 518 W CB 0.396 29.499 29.460 -0.594 0.000 1.148 518 W HN 0.361 nan 8.180 nan 0.000 0.590 519 S N 3.148 119.014 115.700 0.277 0.000 2.561 519 S HA -0.101 4.377 4.470 0.013 0.000 0.294 519 S C 1.196 175.955 174.600 0.265 0.000 1.294 519 S CA -0.049 58.258 58.200 0.179 0.000 1.055 519 S CB 0.187 63.440 63.200 0.089 0.000 0.819 519 S HN 0.506 nan 8.310 nan 0.000 0.503 520 I N 1.951 122.635 120.570 0.191 0.000 2.361 520 I HA -0.117 4.061 4.170 0.013 0.000 0.251 520 I C 2.038 178.183 176.117 0.048 0.000 1.133 520 I CA 1.194 62.607 61.300 0.189 0.000 1.413 520 I CB -0.436 37.620 38.000 0.093 0.000 1.073 520 I HN 0.597 nan 8.210 nan 0.000 0.424 521 K N 1.539 121.865 120.400 -0.123 0.000 2.097 521 K HA -0.139 4.189 4.320 0.013 0.000 0.205 521 K C 2.295 178.889 176.600 -0.010 0.000 1.050 521 K CA 1.458 57.585 56.287 -0.267 0.000 0.938 521 K CB -0.159 32.090 32.500 -0.418 0.000 0.718 521 K HN 0.368 nan 8.250 nan 0.000 0.442 522 K N 0.161 120.583 120.400 0.036 0.000 2.167 522 K HA -0.153 4.175 4.320 0.013 0.000 0.203 522 K C 1.855 178.477 176.600 0.038 0.000 1.052 522 K CA 0.676 56.969 56.287 0.011 0.000 0.956 522 K CB -0.035 32.441 32.500 -0.040 0.000 0.735 522 K HN 0.198 nan 8.250 nan 0.000 0.451 523 W N 2.205 123.489 121.300 -0.026 0.000 2.335 523 W HA -0.186 4.480 4.660 0.010 0.000 0.311 523 W C 1.624 178.130 176.519 -0.022 0.000 1.213 523 W CA 1.130 58.475 57.345 0.000 0.000 1.274 523 W CB -0.663 28.882 29.460 0.142 0.000 1.148 523 W HN 0.067 nan 8.180 nan 0.000 0.498 524 L N 0.869 122.251 121.223 0.264 0.000 2.127 524 L HA -0.241 4.107 4.340 0.013 0.000 0.211 524 L C 2.203 179.143 176.870 0.117 0.000 1.089 524 L CA 1.932 56.862 54.840 0.150 0.000 0.757 524 L CB -0.937 41.197 42.059 0.126 0.000 0.899 524 L HN -0.002 nan 8.230 nan 0.000 0.434 525 S N -1.485 114.268 115.700 0.089 0.000 2.572 525 S HA 0.263 4.741 4.470 0.013 0.000 0.228 525 S C 0.544 175.135 174.600 -0.014 0.000 0.963 525 S CA -0.551 57.671 58.200 0.037 0.000 0.939 525 S CB -0.379 62.842 63.200 0.035 0.000 0.804 525 S HN 0.147 nan 8.310 nan 0.000 0.480 526 L N 2.141 123.346 121.223 -0.031 0.000 2.514 526 L HA 0.214 4.562 4.340 0.013 0.000 0.280 526 L C -2.233 174.608 176.870 -0.048 0.000 1.223 526 L CA -1.651 53.122 54.840 -0.112 0.000 0.864 526 L CB -0.370 41.594 42.059 -0.157 0.000 1.118 526 L HN 0.019 nan 8.230 nan 0.000 0.494 527 P HA -0.052 nan 4.420 nan 0.000 0.258 527 P C 0.768 178.063 177.300 -0.007 0.000 1.172 527 P CA 1.165 64.245 63.100 -0.034 0.000 0.762 527 P CB 0.456 32.130 31.700 -0.043 0.000 0.764 528 G N 1.815 110.618 108.800 0.005 0.000 2.205 528 G HA2 -0.271 3.696 3.960 0.013 0.000 0.261 528 G HA3 -0.271 3.696 3.960 0.013 0.000 0.261 528 G C 0.250 175.169 174.900 0.032 0.000 0.980 528 G CA 0.115 45.226 45.100 0.018 0.000 0.632 528 G HN 0.615 nan 8.290 nan 0.000 0.533 529 E N 1.017 121.241 120.200 0.041 0.000 2.313 529 E HA 0.620 4.978 4.350 0.013 0.000 0.276 529 E C 1.309 177.938 176.600 0.047 0.000 1.031 529 E CA 0.593 57.030 56.400 0.062 0.000 0.857 529 E CB 0.839 30.602 29.700 0.106 0.000 1.040 529 E HN 0.508 nan 8.360 nan 0.000 0.408 530 T N 0.576 115.154 114.554 0.040 0.000 3.130 530 T HA 0.333 4.690 4.350 0.013 0.000 0.288 530 T C 0.545 175.257 174.700 0.021 0.000 0.936 530 T CA -0.474 61.644 62.100 0.030 0.000 0.897 530 T CB 0.079 68.963 68.868 0.027 0.000 1.178 530 T HN 0.245 nan 8.240 nan 0.000 0.543 531 R N 2.437 122.945 120.500 0.014 0.000 2.637 531 R HA 0.440 4.788 4.340 0.013 0.000 0.269 531 R C -2.489 173.795 176.300 -0.028 0.000 1.089 531 R CA -1.795 54.302 56.100 -0.005 0.000 1.177 531 R CB 0.074 30.364 30.300 -0.017 0.000 1.091 531 R HN 0.232 nan 8.270 nan 0.000 0.540 532 P HA 0.081 nan 4.420 nan 0.000 0.274 532 P C -1.043 176.192 177.300 -0.108 0.000 1.246 532 P CA -0.128 62.935 63.100 -0.062 0.000 0.795 532 P CB 0.729 32.392 31.700 -0.061 0.000 1.006 533 L N 2.393 123.533 121.223 -0.139 0.000 2.349 533 L HA 0.563 4.911 4.340 0.013 0.000 0.278 533 L C -0.996 175.739 176.870 -0.224 0.000 0.996 533 L CA -0.662 54.056 54.840 -0.203 0.000 0.825 533 L CB 0.592 42.528 42.059 -0.205 0.000 1.243 533 L HN 0.233 nan 8.230 nan 0.000 0.412 534 I N 5.649 126.091 120.570 -0.212 0.000 2.468 534 I HA 0.259 4.437 4.170 0.013 0.000 0.285 534 I C -0.745 175.287 176.117 -0.141 0.000 1.039 534 I CA -0.557 60.605 61.300 -0.229 0.000 1.074 534 I CB 1.973 39.888 38.000 -0.141 0.000 1.228 534 I HN 0.466 nan 8.210 nan 0.000 0.436 535 L N 5.706 126.819 121.223 -0.183 0.000 2.462 535 L HA 0.019 4.367 4.340 0.013 0.000 0.272 535 L C 1.487 178.439 176.870 0.137 0.000 1.166 535 L CA -0.080 54.721 54.840 -0.066 0.000 0.880 535 L CB 0.553 42.552 42.059 -0.099 0.000 1.142 535 L HN 0.860 nan 8.230 nan 0.000 0.473 536 C N 0.188 119.546 119.300 0.098 0.000 2.448 536 C HA 0.133 4.601 4.460 0.013 0.000 0.280 536 C C 0.633 175.770 174.990 0.246 0.000 1.398 536 C CA -0.204 58.916 59.018 0.169 0.000 1.774 536 C CB -1.072 26.679 27.740 0.019 0.000 1.888 536 C HN 0.822 nan 8.230 nan 0.000 0.519 537 E N -0.725 119.545 120.200 0.117 0.000 2.304 537 E HA 0.612 4.970 4.350 0.013 0.000 0.277 537 E C -1.344 175.219 176.600 -0.062 0.000 0.898 537 E CA -0.395 56.066 56.400 0.103 0.000 0.764 537 E CB 1.951 31.534 29.700 -0.195 0.000 1.216 537 E HN 0.679 nan 8.360 nan 0.000 0.419 538 Y N -0.964 119.351 120.300 0.026 0.000 2.689 538 Y HA 0.650 5.208 4.550 0.014 0.000 0.333 538 Y C -0.620 175.465 175.900 0.309 0.000 1.208 538 Y CA -0.920 57.201 58.100 0.034 0.000 1.055 538 Y CB 1.014 39.314 38.460 -0.267 0.000 1.304 538 Y HN 0.648 nan 8.280 nan 0.000 0.455 539 A N 1.896 124.804 122.820 0.148 0.000 2.360 539 A HA -0.259 4.069 4.320 0.013 0.000 0.289 539 A C -0.456 177.255 177.584 0.212 0.000 1.437 539 A CA 0.994 53.098 52.037 0.113 0.000 0.734 539 A CB -2.516 16.443 19.000 -0.068 0.000 1.145 539 A HN 1.082 nan 8.150 nan 0.000 0.374 540 H N 0.761 119.986 119.070 0.258 0.000 3.191 540 H HA 0.282 4.845 4.556 0.013 0.000 0.261 540 H C 1.097 176.485 175.328 0.099 0.000 1.013 540 H CA 0.880 57.086 56.048 0.264 0.000 1.457 540 H CB 0.418 30.200 29.762 0.035 0.000 1.535 540 H HN 0.807 nan 8.280 nan 0.000 0.518 541 A N 6.582 129.305 122.820 -0.161 0.000 2.840 541 A HA 0.061 4.389 4.320 0.013 0.000 0.269 541 A C 0.911 178.360 177.584 -0.225 0.000 1.439 541 A CA -0.405 51.519 52.037 -0.188 0.000 1.083 541 A CB -0.660 18.204 19.000 -0.226 0.000 1.019 541 A HN 0.800 nan 8.150 nan 0.000 0.607 542 M N 1.389 120.854 119.600 -0.226 0.000 2.156 542 M HA 0.451 4.939 4.480 0.013 0.000 0.345 542 M C 0.976 177.127 176.300 -0.248 0.000 1.398 542 M CA 1.212 56.381 55.300 -0.217 0.000 1.148 542 M CB -0.177 32.347 32.600 -0.126 0.000 1.663 542 M HN 0.814 nan 8.290 nan 0.000 0.464 543 G N 4.309 112.942 108.800 -0.278 0.000 2.566 543 G HA2 -0.351 3.617 3.960 0.013 0.000 0.280 543 G HA3 -0.351 3.617 3.960 0.013 0.000 0.280 543 G C -0.240 174.164 174.900 -0.826 0.000 1.225 543 G CA 0.114 44.874 45.100 -0.568 0.000 0.966 543 G HN 0.874 nan 8.290 nan 0.000 0.560 544 N N 1.147 119.209 118.700 -1.063 0.000 2.421 544 N HA 0.488 5.236 4.740 0.013 0.000 0.260 544 N C 0.069 175.335 175.510 -0.406 0.000 1.173 544 N CA 1.117 53.705 53.050 -0.771 0.000 0.960 544 N CB 0.465 38.509 38.487 -0.738 0.000 1.273 544 N HN 0.862 nan 8.380 nan 0.000 0.497 545 S N 2.268 117.819 115.700 -0.248 0.000 2.998 545 S HA 0.606 5.084 4.470 0.013 0.000 0.321 545 S C -0.170 174.375 174.600 -0.092 0.000 1.171 545 S CA -0.334 57.771 58.200 -0.159 0.000 0.882 545 S CB 0.040 63.162 63.200 -0.130 0.000 1.301 545 S HN 0.374 nan 8.310 nan 0.000 0.629 546 L N 0.083 121.284 121.223 -0.037 0.000 4.639 546 L HA -0.048 4.300 4.340 0.013 0.000 0.402 546 L C 0.500 177.424 176.870 0.089 0.000 1.069 546 L CA 0.894 55.739 54.840 0.009 0.000 1.105 546 L CB -1.730 40.249 42.059 -0.135 0.000 2.122 546 L HN 0.744 nan 8.230 nan 0.000 0.662 547 G N -0.730 108.089 108.800 0.032 0.000 2.343 547 G HA2 0.476 4.444 3.960 0.013 0.000 0.254 547 G HA3 0.476 4.444 3.960 0.013 0.000 0.254 547 G C 1.227 176.178 174.900 0.084 0.000 1.277 547 G CA 0.206 45.300 45.100 -0.010 0.000 0.909 547 G HN 1.396 nan 8.290 nan 0.000 0.502 548 G N 1.711 110.557 108.800 0.077 0.000 2.157 548 G HA2 -0.308 3.660 3.960 0.013 0.000 0.239 548 G HA3 -0.308 3.660 3.960 0.013 0.000 0.239 548 G C 0.980 176.068 174.900 0.314 0.000 0.982 548 G CA 0.703 45.902 45.100 0.164 0.000 0.650 548 G HN 0.772 nan 8.290 nan 0.000 0.527 549 F N 1.846 121.925 119.950 0.213 0.000 2.126 549 F HA 0.149 4.684 4.527 0.014 0.000 0.299 549 F C 2.639 178.664 175.800 0.375 0.000 1.096 549 F CA 2.424 60.630 58.000 0.344 0.000 1.255 549 F CB -0.448 38.691 39.000 0.232 0.000 0.997 549 F HN 0.347 nan 8.300 nan 0.000 0.479 550 A N -0.363 122.616 122.820 0.265 0.000 2.019 550 A HA -0.224 4.104 4.320 0.013 0.000 0.219 550 A C 2.289 179.892 177.584 0.032 0.000 1.164 550 A CA 1.653 53.779 52.037 0.148 0.000 0.644 550 A CB -0.797 18.300 19.000 0.161 0.000 0.805 550 A HN 0.448 nan 8.150 nan 0.000 0.449 551 K N -1.569 118.832 120.400 0.002 0.000 2.097 551 K HA -0.177 4.151 4.320 0.013 0.000 0.206 551 K C 1.666 178.035 176.600 -0.385 0.000 1.049 551 K CA 1.585 57.785 56.287 -0.145 0.000 0.933 551 K CB -0.305 32.110 32.500 -0.140 0.000 0.717 551 K HN 0.585 nan 8.250 nan 0.000 0.442 552 Y N -0.833 119.201 120.300 -0.442 0.000 2.114 552 Y HA -0.238 4.319 4.550 0.012 0.000 0.284 552 Y C 1.998 176.960 175.900 -1.564 0.000 1.143 552 Y CA 1.600 59.076 58.100 -1.040 0.000 1.135 552 Y CB -0.336 37.483 38.460 -1.067 0.000 0.980 552 Y HN 0.164 nan 8.280 nan 0.000 0.499 553 W N 0.082 120.968 121.300 -0.689 0.000 2.363 553 W HA -0.210 4.459 4.660 0.014 0.000 0.296 553 W C 2.617 178.970 176.519 -0.278 0.000 1.212 553 W CA 1.534 58.614 57.345 -0.443 0.000 1.260 553 W CB -0.505 28.773 29.460 -0.304 0.000 1.131 553 W HN 0.077 nan 8.180 nan 0.000 0.530 554 Q N 0.788 120.505 119.800 -0.138 0.000 2.079 554 Q HA -0.157 4.191 4.340 0.013 0.000 0.200 554 Q C 2.174 178.113 176.000 -0.101 0.000 0.974 554 Q CA 2.018 57.777 55.803 -0.073 0.000 0.840 554 Q CB -0.575 28.133 28.738 -0.051 0.000 0.898 554 Q HN 0.269 nan 8.270 nan 0.000 0.430 555 A N -0.031 122.634 122.820 -0.259 0.000 1.898 555 A HA -0.094 4.234 4.320 0.013 0.000 0.216 555 A C 2.055 179.607 177.584 -0.053 0.000 1.181 555 A CA 1.013 52.927 52.037 -0.204 0.000 0.620 555 A CB -1.037 17.707 19.000 -0.427 0.000 0.819 555 A HN 0.463 nan 8.150 nan 0.000 0.442 556 F N -0.314 119.464 119.950 -0.287 0.000 2.126 556 F HA -0.220 4.315 4.527 0.013 0.000 0.299 556 F C 2.760 178.462 175.800 -0.163 0.000 1.096 556 F CA 1.205 59.005 58.000 -0.333 0.000 1.255 556 F CB -0.164 38.416 39.000 -0.699 0.000 0.997 556 F HN 0.151 nan 8.300 nan 0.000 0.479 557 R N -0.020 120.530 120.500 0.082 0.000 2.115 557 R HA -0.157 4.190 4.340 0.013 0.000 0.226 557 R C 2.122 178.456 176.300 0.056 0.000 1.100 557 R CA 1.107 57.241 56.100 0.057 0.000 0.980 557 R CB -0.399 29.929 30.300 0.047 0.000 0.875 557 R HN 0.379 nan 8.270 nan 0.000 0.445 558 Q N -0.239 119.622 119.800 0.100 0.000 2.137 558 Q HA -0.071 4.277 4.340 0.013 0.000 0.198 558 Q C -0.434 175.619 176.000 0.088 0.000 0.960 558 Q CA 1.017 56.881 55.803 0.101 0.000 0.847 558 Q CB 0.344 29.171 28.738 0.148 0.000 0.915 558 Q HN 0.186 nan 8.270 nan 0.000 0.448 559 Y N -0.034 120.248 120.300 -0.030 0.000 2.331 559 Y HA 0.266 4.823 4.550 0.012 0.000 0.338 559 Y C -1.777 174.100 175.900 -0.039 0.000 0.976 559 Y CA -2.856 55.227 58.100 -0.028 0.000 1.137 559 Y CB 1.462 39.911 38.460 -0.019 0.000 1.172 559 Y HN 0.107 nan 8.280 nan 0.000 0.478 560 P HA -0.155 nan 4.420 nan 0.000 0.215 560 P C 1.085 178.390 177.300 0.008 0.000 1.157 560 P CA 1.887 64.990 63.100 0.005 0.000 0.868 560 P CB 0.309 31.997 31.700 -0.020 0.000 0.788 561 R N -1.161 119.363 120.500 0.040 0.000 2.307 561 R HA 0.091 4.438 4.340 0.013 0.000 0.199 561 R C 0.463 176.748 176.300 -0.024 0.000 1.000 561 R CA 0.116 56.221 56.100 0.008 0.000 1.023 561 R CB -0.511 29.804 30.300 0.024 0.000 0.908 561 R HN 0.243 nan 8.270 nan 0.000 0.473 562 L N 2.107 123.338 121.223 0.013 0.000 2.334 562 L HA 0.103 4.451 4.340 0.013 0.000 0.286 562 L C 0.530 177.265 176.870 -0.226 0.000 1.108 562 L CA 0.213 55.015 54.840 -0.062 0.000 0.875 562 L CB 0.933 43.030 42.059 0.062 0.000 1.246 562 L HN 0.099 nan 8.230 nan 0.000 0.439 563 Q N 2.812 122.400 119.800 -0.352 0.000 2.211 563 Q HA 0.328 4.675 4.340 0.013 0.000 0.231 563 Q C 0.789 176.369 176.000 -0.700 0.000 0.865 563 Q CA 0.038 55.592 55.803 -0.416 0.000 0.997 563 Q CB 1.024 29.612 28.738 -0.251 0.000 1.101 563 Q HN 0.926 nan 8.270 nan 0.000 0.468 564 G N -0.435 107.549 108.800 -1.360 0.000 2.428 564 G HA2 0.147 4.115 3.960 0.013 0.000 0.202 564 G HA3 0.147 4.115 3.960 0.013 0.000 0.202 564 G C -0.400 173.671 174.900 -1.382 0.000 1.247 564 G CA -0.751 43.247 45.100 -1.838 0.000 1.020 564 G HN 0.543 nan 8.290 nan 0.000 0.529 565 G N -2.226 106.042 108.800 -0.886 0.000 2.349 565 G HA2 0.657 4.625 3.960 0.013 0.000 0.294 565 G HA3 0.657 4.625 3.960 0.013 0.000 0.294 565 G C -1.901 172.942 174.900 -0.096 0.000 1.380 565 G CA -0.375 44.440 45.100 -0.476 0.000 0.811 565 G HN 1.128 nan 8.290 nan 0.000 0.519 566 F N 0.661 120.862 119.950 0.419 0.000 2.460 566 F HA 0.505 5.039 4.527 0.012 0.000 0.341 566 F C 0.753 176.838 175.800 0.475 0.000 1.130 566 F CA -0.736 57.526 58.000 0.436 0.000 0.962 566 F CB 2.149 41.300 39.000 0.251 0.000 1.171 566 F HN 0.262 nan 8.300 nan 0.000 0.436 567 V N 3.395 123.603 119.914 0.490 0.000 2.901 567 V HA -0.159 3.969 4.120 0.013 0.000 0.307 567 V C -0.237 175.979 176.094 0.204 0.000 1.084 567 V CA -0.150 62.225 62.300 0.125 0.000 1.184 567 V CB 0.664 32.562 31.823 0.125 0.000 0.941 567 V HN 0.756 nan 8.190 nan 0.000 0.493 568 W N 6.507 127.878 121.300 0.118 0.000 2.296 568 W HA 0.473 5.140 4.660 0.013 0.000 0.316 568 W C -0.891 175.620 176.519 -0.014 0.000 1.022 568 W CA -0.665 56.780 57.345 0.166 0.000 1.324 568 W CB 1.330 31.062 29.460 0.454 0.000 1.227 568 W HN 0.920 nan 8.180 nan 0.000 0.409 569 D N 2.779 122.813 120.400 -0.611 0.000 2.825 569 D HA 0.091 4.739 4.640 0.013 0.000 0.327 569 D C 0.639 176.682 176.300 -0.428 0.000 1.277 569 D CA -0.559 52.954 54.000 -0.812 0.000 0.950 569 D CB 0.204 39.978 40.800 -1.710 0.000 1.438 569 D HN 0.410 nan 8.370 nan 0.000 0.526 570 W N 0.454 121.422 121.300 -0.554 0.000 2.413 570 W HA 0.140 4.808 4.660 0.013 0.000 0.315 570 W C -0.143 176.144 176.519 -0.387 0.000 1.186 570 W CA 1.091 58.171 57.345 -0.441 0.000 1.326 570 W CB 0.333 29.563 29.460 -0.383 0.000 1.153 570 W HN 0.153 nan 8.180 nan 0.000 0.489 571 V N 2.842 122.507 119.914 -0.414 0.000 2.588 571 V HA 0.241 4.369 4.120 0.013 0.000 0.304 571 V C -0.857 175.041 176.094 -0.326 0.000 1.042 571 V CA -0.765 61.251 62.300 -0.472 0.000 0.877 571 V CB 1.433 33.099 31.823 -0.261 0.000 0.996 571 V HN -0.105 nan 8.190 nan 0.000 0.425 572 D N 4.033 124.237 120.400 -0.327 0.000 2.488 572 D HA 0.103 4.751 4.640 0.013 0.000 0.238 572 D C 0.324 176.479 176.300 -0.242 0.000 1.138 572 D CA 0.663 54.532 54.000 -0.219 0.000 0.873 572 D CB 0.841 41.600 40.800 -0.068 0.000 1.183 572 D HN 0.621 nan 8.370 nan 0.000 0.458 573 Q N 1.098 120.683 119.800 -0.357 0.000 3.122 573 Q HA 0.143 4.491 4.340 0.013 0.000 0.360 573 Q C -0.193 175.747 176.000 -0.099 0.000 1.300 573 Q CA -0.344 55.003 55.803 -0.760 0.000 0.982 573 Q CB 0.068 28.492 28.738 -0.522 0.000 1.534 573 Q HN 0.359 nan 8.270 nan 0.000 0.474 574 S N -0.103 115.658 115.700 0.102 0.000 2.616 574 S HA 0.627 5.105 4.470 0.013 0.000 0.277 574 S C -0.126 174.660 174.600 0.309 0.000 1.234 574 S CA -0.773 57.608 58.200 0.301 0.000 1.028 574 S CB 1.441 64.800 63.200 0.265 0.000 0.988 574 S HN 0.337 nan 8.310 nan 0.000 0.522 575 L N 1.924 123.245 121.223 0.164 0.000 2.342 575 L HA 0.523 4.871 4.340 0.013 0.000 0.271 575 L C -0.388 176.392 176.870 -0.149 0.000 1.008 575 L CA -1.179 53.630 54.840 -0.051 0.000 0.818 575 L CB 1.466 43.383 42.059 -0.238 0.000 1.296 575 L HN 0.556 nan 8.230 nan 0.000 0.427 576 I N 2.476 122.900 120.570 -0.244 0.000 2.441 576 I HA 0.243 4.421 4.170 0.013 0.000 0.287 576 I C 0.142 175.867 176.117 -0.653 0.000 1.049 576 I CA -0.006 61.011 61.300 -0.473 0.000 1.381 576 I CB 1.070 38.791 38.000 -0.464 0.000 1.409 576 I HN 0.577 nan 8.210 nan 0.000 0.523 577 K N 5.375 125.113 120.400 -1.103 0.000 2.340 577 K HA 0.536 4.864 4.320 0.013 0.000 0.244 577 K C -1.510 174.294 176.600 -1.327 0.000 0.973 577 K CA -0.685 54.872 56.287 -1.217 0.000 0.828 577 K CB 2.287 33.777 32.500 -1.683 0.000 1.226 577 K HN 0.260 nan 8.250 nan 0.000 0.437 578 Y N 1.087 121.114 120.300 -0.455 0.000 2.364 578 Y HA 0.116 4.674 4.550 0.013 0.000 0.340 578 Y C 0.183 176.148 175.900 0.107 0.000 0.975 578 Y CA -0.972 57.040 58.100 -0.146 0.000 1.089 578 Y CB 1.296 39.696 38.460 -0.099 0.000 1.192 578 Y HN 0.684 nan 8.280 nan 0.000 0.454 579 D N 0.469 121.109 120.400 0.400 0.000 2.433 579 D HA 0.025 4.673 4.640 0.013 0.000 0.255 579 D C 0.949 177.361 176.300 0.186 0.000 1.226 579 D CA -0.284 53.911 54.000 0.326 0.000 1.015 579 D CB 0.764 41.696 40.800 0.220 0.000 1.091 579 D HN 0.378 nan 8.370 nan 0.000 0.527 580 E N -0.380 119.891 120.200 0.118 0.000 2.147 580 E HA -0.190 4.168 4.350 0.013 0.000 0.199 580 E C 1.255 177.893 176.600 0.064 0.000 1.005 580 E CA 1.042 57.486 56.400 0.073 0.000 0.810 580 E CB -0.299 29.426 29.700 0.043 0.000 0.736 580 E HN 0.455 nan 8.360 nan 0.000 0.460 581 N N -0.586 118.158 118.700 0.074 0.000 2.515 581 N HA -0.031 4.717 4.740 0.013 0.000 0.185 581 N C 1.058 176.613 175.510 0.075 0.000 1.109 581 N CA 1.012 54.100 53.050 0.062 0.000 0.903 581 N CB 0.501 39.023 38.487 0.058 0.000 0.969 581 N HN 0.267 nan 8.380 nan 0.000 0.450 582 G N 0.785 109.653 108.800 0.113 0.000 2.136 582 G HA2 -0.235 3.732 3.960 0.013 0.000 0.242 582 G HA3 -0.235 3.732 3.960 0.013 0.000 0.242 582 G C -0.335 174.703 174.900 0.230 0.000 0.989 582 G CA -0.408 44.770 45.100 0.131 0.000 0.682 582 G HN 0.249 nan 8.290 nan 0.000 0.522 583 N N 1.723 120.561 118.700 0.230 0.000 2.455 583 N HA 0.472 5.220 4.740 0.013 0.000 0.280 583 N C -2.303 173.333 175.510 0.210 0.000 1.055 583 N CA -1.354 51.822 53.050 0.210 0.000 0.961 583 N CB 1.815 40.398 38.487 0.159 0.000 1.121 583 N HN 0.170 nan 8.380 nan 0.000 0.476 584 P HA 0.200 nan 4.420 nan 0.000 0.271 584 P C -0.508 176.720 177.300 -0.119 0.000 1.218 584 P CA -0.170 62.745 63.100 -0.308 0.000 0.780 584 P CB 0.574 32.116 31.700 -0.262 0.000 0.901 585 W N -0.795 120.253 121.300 -0.421 0.000 3.296 585 W HA 0.368 5.036 4.660 0.013 0.000 0.314 585 W C -1.462 174.857 176.519 -0.332 0.000 1.238 585 W CA -0.995 56.102 57.345 -0.414 0.000 1.193 585 W CB 0.289 29.224 29.460 -0.875 0.000 1.383 585 W HN 0.107 nan 8.180 nan 0.000 0.545 586 S N 1.772 117.541 115.700 0.115 0.000 2.455 586 S HA 0.540 5.018 4.470 0.013 0.000 0.278 586 S C 0.269 175.033 174.600 0.274 0.000 1.216 586 S CA -0.149 58.122 58.200 0.117 0.000 1.055 586 S CB 0.692 64.011 63.200 0.199 0.000 0.939 586 S HN 0.590 nan 8.310 nan 0.000 0.494 587 A N 3.157 126.000 122.820 0.038 0.000 2.311 587 A HA 0.877 5.205 4.320 0.013 0.000 0.334 587 A C -0.586 177.263 177.584 0.441 0.000 1.139 587 A CA -0.726 51.383 52.037 0.120 0.000 0.830 587 A CB 0.621 19.369 19.000 -0.421 0.000 1.234 587 A HN 0.834 nan 8.150 nan 0.000 0.483 588 Y N -0.765 119.864 120.300 0.549 0.000 3.048 588 Y HA 0.771 5.329 4.550 0.013 0.000 0.305 588 Y C 0.698 176.977 175.900 0.631 0.000 1.538 588 Y CA -1.353 57.072 58.100 0.541 0.000 1.082 588 Y CB -0.135 38.472 38.460 0.245 0.000 1.388 588 Y HN 0.871 nan 8.280 nan 0.000 0.557 589 G N -0.266 108.940 108.800 0.677 0.000 2.321 589 G HA2 0.371 4.339 3.960 0.013 0.000 0.237 589 G HA3 0.371 4.339 3.960 0.013 0.000 0.237 589 G C 0.963 176.187 174.900 0.540 0.000 1.282 589 G CA 0.356 45.774 45.100 0.530 0.000 0.886 589 G HN 1.948 nan 8.290 nan 0.000 0.528 590 G N 2.162 111.251 108.800 0.482 0.000 2.234 590 G HA2 -0.288 3.680 3.960 0.013 0.000 0.260 590 G HA3 -0.288 3.680 3.960 0.013 0.000 0.260 590 G C 0.897 175.992 174.900 0.326 0.000 0.987 590 G CA 0.654 45.974 45.100 0.366 0.000 0.625 590 G HN 0.652 nan 8.290 nan 0.000 0.532 591 D N -0.280 120.320 120.400 0.334 0.000 2.392 591 D HA 0.136 4.784 4.640 0.013 0.000 0.228 591 D C 1.094 177.251 176.300 -0.239 0.000 1.003 591 D CA 0.514 54.540 54.000 0.044 0.000 0.917 591 D CB -0.212 40.551 40.800 -0.061 0.000 0.890 591 D HN 0.490 nan 8.370 nan 0.000 0.532 592 F N -1.087 118.993 119.950 0.216 0.000 2.735 592 F HA 0.306 4.840 4.527 0.013 0.000 0.308 592 F C 1.741 177.627 175.800 0.143 0.000 1.112 592 F CA -0.242 57.840 58.000 0.137 0.000 1.235 592 F CB 0.959 40.032 39.000 0.121 0.000 1.027 592 F HN -0.041 nan 8.300 nan 0.000 0.528 593 G N 0.226 109.183 108.800 0.261 0.000 2.199 593 G HA2 -0.274 3.694 3.960 0.013 0.000 0.254 593 G HA3 -0.274 3.694 3.960 0.013 0.000 0.254 593 G C -0.132 174.902 174.900 0.224 0.000 0.982 593 G CA 0.101 45.324 45.100 0.204 0.000 0.632 593 G HN 0.402 nan 8.290 nan 0.000 0.529 594 D N 0.670 121.252 120.400 0.304 0.000 2.417 594 D HA 0.479 5.127 4.640 0.013 0.000 0.250 594 D C 0.113 176.534 176.300 0.201 0.000 1.166 594 D CA 1.092 55.260 54.000 0.280 0.000 0.881 594 D CB 1.536 42.568 40.800 0.388 0.000 1.164 594 D HN 0.433 nan 8.370 nan 0.000 0.467 595 T N 1.163 115.804 114.554 0.144 0.000 3.047 595 T HA 0.403 4.761 4.350 0.013 0.000 0.340 595 T C -2.788 171.949 174.700 0.061 0.000 1.421 595 T CA -1.129 61.028 62.100 0.094 0.000 1.090 595 T CB 1.120 70.046 68.868 0.096 0.000 1.292 595 T HN 0.210 nan 8.240 nan 0.000 0.480 596 P HA 0.500 nan 4.420 nan 0.000 0.273 596 P C -0.917 176.374 177.300 -0.015 0.000 1.250 596 P CA -0.275 62.826 63.100 0.001 0.000 0.793 596 P CB 0.331 32.006 31.700 -0.040 0.000 1.011 597 N N -1.881 116.804 118.700 -0.025 0.000 2.825 597 N HA 0.283 5.031 4.740 0.013 0.000 0.253 597 N C -1.200 174.248 175.510 -0.104 0.000 1.426 597 N CA -0.746 52.262 53.050 -0.071 0.000 0.851 597 N CB 0.778 39.311 38.487 0.077 0.000 1.470 597 N HN 0.059 nan 8.380 nan 0.000 0.517 598 D N -0.263 120.013 120.400 -0.208 0.000 2.643 598 D HA 0.150 4.798 4.640 0.013 0.000 0.244 598 D C 0.417 176.910 176.300 0.322 0.000 1.257 598 D CA -0.123 53.842 54.000 -0.058 0.000 0.831 598 D CB 0.125 40.736 40.800 -0.316 0.000 1.043 598 D HN 0.721 nan 8.370 nan 0.000 0.488 599 R N 0.752 121.444 120.500 0.321 0.000 3.682 599 R HA -0.323 4.024 4.340 0.013 0.000 0.519 599 R C 1.114 177.490 176.300 0.128 0.000 0.241 599 R CA 1.528 57.831 56.100 0.338 0.000 1.619 599 R CB -1.583 28.837 30.300 0.200 0.000 0.923 599 R HN 0.151 nan 8.270 nan 0.000 0.598 600 Q N 1.459 121.013 119.800 -0.411 0.000 2.466 600 Q HA 0.000 4.348 4.340 0.013 0.000 0.210 600 Q C 1.492 177.226 176.000 -0.442 0.000 0.961 600 Q CA 1.218 56.567 55.803 -0.756 0.000 0.953 600 Q CB 0.050 28.091 28.738 -1.162 0.000 1.011 600 Q HN 0.607 nan 8.270 nan 0.000 0.516 601 F N 1.451 121.325 119.950 -0.128 0.000 2.494 601 F HA -0.112 4.423 4.527 0.013 0.000 0.298 601 F C 2.169 177.886 175.800 -0.137 0.000 1.106 601 F CA 0.994 58.989 58.000 -0.009 0.000 1.452 601 F CB -0.069 39.005 39.000 0.124 0.000 1.085 601 F HN 0.421 nan 8.300 nan 0.000 0.569 602 C N -1.404 117.577 119.300 -0.532 0.000 2.562 602 C HA 0.240 4.708 4.460 0.013 0.000 0.266 602 C C 0.995 175.781 174.990 -0.339 0.000 1.382 602 C CA -0.524 58.016 59.018 -0.797 0.000 1.742 602 C CB -1.660 25.107 27.740 -1.623 0.000 1.812 602 C HN 0.162 nan 8.230 nan 0.000 0.559 603 M N 2.662 122.116 119.600 -0.242 0.000 2.055 603 M HA 0.282 4.770 4.480 0.013 0.000 0.346 603 M C -0.436 175.765 176.300 -0.165 0.000 1.074 603 M CA 0.359 55.560 55.300 -0.165 0.000 1.009 603 M CB 0.097 32.640 32.600 -0.096 0.000 1.423 603 M HN 0.346 nan 8.290 nan 0.000 0.410 604 N N 1.039 119.635 118.700 -0.173 0.000 2.305 604 N HA 0.192 4.940 4.740 0.013 0.000 0.248 604 N C 0.300 175.604 175.510 -0.342 0.000 1.290 604 N CA -0.521 52.392 53.050 -0.229 0.000 0.873 604 N CB 1.222 39.653 38.487 -0.093 0.000 1.261 604 N HN 0.680 nan 8.380 nan 0.000 0.504 605 G N 0.025 108.579 108.800 -0.408 0.000 2.507 605 G HA2 0.327 4.295 3.960 0.013 0.000 0.271 605 G HA3 0.327 4.295 3.960 0.013 0.000 0.271 605 G C 0.743 175.162 174.900 -0.802 0.000 1.189 605 G CA -0.520 44.222 45.100 -0.596 0.000 0.859 605 G HN 0.125 nan 8.290 nan 0.000 0.542 606 L N 0.207 120.977 121.223 -0.756 0.000 2.313 606 L HA 0.103 4.451 4.340 0.013 0.000 0.214 606 L C 0.943 177.210 176.870 -1.005 0.000 1.119 606 L CA 0.391 54.797 54.840 -0.723 0.000 0.809 606 L CB -0.381 41.380 42.059 -0.497 0.000 0.933 606 L HN 0.410 nan 8.230 nan 0.000 0.449 607 V N -5.163 114.037 119.914 -1.190 0.000 3.001 607 V HA 0.468 4.596 4.120 0.013 0.000 0.314 607 V C -0.245 175.359 176.094 -0.816 0.000 1.099 607 V CA -1.290 60.444 62.300 -0.942 0.000 0.989 607 V CB 1.625 32.950 31.823 -0.829 0.000 1.040 607 V HN -0.148 nan 8.190 nan 0.000 0.434 608 F N 1.417 121.221 119.950 -0.244 0.000 2.440 608 F HA 0.540 5.075 4.527 0.014 0.000 0.323 608 F C 1.940 177.666 175.800 -0.124 0.000 1.192 608 F CA 0.597 58.582 58.000 -0.025 0.000 1.252 608 F CB 0.978 40.001 39.000 0.038 0.000 1.214 608 F HN 0.781 nan 8.300 nan 0.000 0.578 609 A N 0.761 123.674 122.820 0.155 0.000 2.024 609 A HA -0.216 4.112 4.320 0.013 0.000 0.220 609 A C 1.542 179.111 177.584 -0.025 0.000 1.164 609 A CA 1.873 53.951 52.037 0.069 0.000 0.643 609 A CB -0.915 18.164 19.000 0.132 0.000 0.806 609 A HN 0.775 nan 8.150 nan 0.000 0.451 610 D N -2.943 117.459 120.400 0.002 0.000 2.336 610 D HA 0.188 4.836 4.640 0.013 0.000 0.228 610 D C 0.601 176.892 176.300 -0.014 0.000 1.120 610 D CA -0.175 53.795 54.000 -0.050 0.000 0.839 610 D CB -0.077 40.693 40.800 -0.050 0.000 0.932 610 D HN 0.189 nan 8.370 nan 0.000 0.509 611 R N -1.799 118.695 120.500 -0.011 0.000 3.892 611 R HA -0.121 4.226 4.340 0.013 0.000 0.441 611 R C -0.267 176.038 176.300 0.007 0.000 1.052 611 R CA 1.101 57.186 56.100 -0.025 0.000 1.190 611 R CB -3.186 27.135 30.300 0.035 0.000 1.808 611 R HN 0.239 nan 8.270 nan 0.000 0.538 612 T N 2.386 116.990 114.554 0.083 0.000 2.901 612 T HA 0.348 4.706 4.350 0.013 0.000 0.301 612 T C -2.296 172.523 174.700 0.198 0.000 1.012 612 T CA -0.762 61.419 62.100 0.134 0.000 1.135 612 T CB 1.045 69.996 68.868 0.138 0.000 0.936 612 T HN -0.100 nan 8.240 nan 0.000 0.539 613 P HA 0.220 nan 4.420 nan 0.000 0.278 613 P C -0.153 177.214 177.300 0.112 0.000 1.238 613 P CA -0.330 62.780 63.100 0.016 0.000 0.794 613 P CB 0.491 32.191 31.700 0.000 0.000 0.955 614 H N 2.322 121.219 119.070 -0.288 0.000 2.508 614 H HA 0.135 4.699 4.556 0.013 0.000 0.358 614 H C -1.299 173.928 175.328 -0.169 0.000 1.212 614 H CA -1.976 53.871 56.048 -0.335 0.000 1.356 614 H CB 0.460 29.962 29.762 -0.433 0.000 1.525 614 H HN 0.322 nan 8.280 nan 0.000 0.578 615 P HA -0.145 nan 4.420 nan 0.000 0.219 615 P C 1.101 178.399 177.300 -0.002 0.000 1.146 615 P CA 1.302 64.390 63.100 -0.019 0.000 0.808 615 P CB 0.027 31.715 31.700 -0.021 0.000 0.779 616 A N -0.527 122.294 122.820 0.001 0.000 2.070 616 A HA -0.169 4.159 4.320 0.013 0.000 0.220 616 A C 2.059 179.592 177.584 -0.086 0.000 1.159 616 A CA 1.125 53.128 52.037 -0.057 0.000 0.656 616 A CB -1.566 17.375 19.000 -0.098 0.000 0.800 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N -0.486 120.701 121.223 -0.059 0.000 2.042 617 L HA -0.143 4.205 4.340 0.013 0.000 0.210 617 L C 2.532 179.441 176.870 0.066 0.000 1.076 617 L CA 2.761 57.598 54.840 -0.004 0.000 0.749 617 L CB -0.967 41.084 42.059 -0.014 0.000 0.893 617 L HN 0.380 nan 8.230 nan 0.000 0.432 618 T N -1.785 112.816 114.554 0.079 0.000 2.867 618 T HA -0.191 4.167 4.350 0.013 0.000 0.268 618 T C 1.800 176.617 174.700 0.195 0.000 1.057 618 T CA 1.409 63.616 62.100 0.179 0.000 1.136 618 T CB -0.151 68.802 68.868 0.141 0.000 0.874 618 T HN 0.477 nan 8.240 nan 0.000 0.466 619 E N 0.812 121.065 120.200 0.087 0.000 2.072 619 E HA 0.073 4.431 4.350 0.013 0.000 0.191 619 E C 2.200 178.819 176.600 0.031 0.000 0.985 619 E CA 1.368 57.823 56.400 0.093 0.000 0.801 619 E CB -0.644 29.079 29.700 0.039 0.000 0.750 619 E HN 0.543 nan 8.360 nan 0.000 0.452 620 A N 0.947 123.672 122.820 -0.158 0.000 1.902 620 A HA -0.220 4.108 4.320 0.013 0.000 0.217 620 A C 2.158 179.638 177.584 -0.174 0.000 1.181 620 A CA 1.889 53.781 52.037 -0.241 0.000 0.623 620 A CB -0.619 18.229 19.000 -0.254 0.000 0.818 620 A HN 0.256 nan 8.150 nan 0.000 0.443 621 K N -1.183 119.187 120.400 -0.049 0.000 2.044 621 K HA -0.306 4.021 4.320 0.013 0.000 0.210 621 K C 2.066 178.561 176.600 -0.175 0.000 1.049 621 K CA 2.140 58.409 56.287 -0.029 0.000 0.927 621 K CB -0.353 32.282 32.500 0.225 0.000 0.713 621 K HN 0.665 nan 8.250 nan 0.000 0.443 622 H N 0.255 119.150 119.070 -0.292 0.000 2.326 622 H HA -0.023 4.541 4.556 0.014 0.000 0.301 622 H C 1.980 177.038 175.328 -0.449 0.000 1.081 622 H CA 1.782 57.471 56.048 -0.599 0.000 1.334 622 H CB 0.089 29.533 29.762 -0.531 0.000 1.385 622 H HN 0.238 nan 8.280 nan 0.000 0.504 623 Q N 0.252 119.797 119.800 -0.425 0.000 2.224 623 Q HA -0.089 4.258 4.340 0.013 0.000 0.203 623 Q C 1.534 177.000 176.000 -0.889 0.000 0.970 623 Q CA 1.145 56.623 55.803 -0.541 0.000 0.865 623 Q CB 0.030 28.603 28.738 -0.274 0.000 0.922 623 Q HN 0.712 nan 8.270 nan 0.000 0.445 624 Q N 0.338 119.564 119.800 -0.957 0.000 2.322 624 Q HA 0.066 4.414 4.340 0.013 0.000 0.203 624 Q C -0.100 175.352 176.000 -0.914 0.000 0.923 624 Q CA -0.195 54.894 55.803 -1.190 0.000 0.949 624 Q CB 0.243 28.322 28.738 -1.098 0.000 1.039 624 Q HN 0.373 nan 8.270 nan 0.000 0.496 625 Q N -0.477 118.927 119.800 -0.661 0.000 2.428 625 Q HA -0.041 4.307 4.340 0.013 0.000 0.276 625 Q C -0.117 175.522 176.000 -0.601 0.000 1.059 625 Q CA 0.433 55.979 55.803 -0.427 0.000 0.923 625 Q CB 0.445 29.011 28.738 -0.286 0.000 1.283 625 Q HN 0.315 nan 8.270 nan 0.000 0.447 626 F N 0.229 119.958 119.950 -0.368 0.000 2.727 626 F HA 0.232 4.767 4.527 0.013 0.000 0.302 626 F C -0.223 174.989 175.800 -0.980 0.000 1.097 626 F CA -0.022 57.518 58.000 -0.767 0.000 1.330 626 F CB 0.595 38.864 39.000 -1.218 0.000 1.084 626 F HN 0.305 nan 8.300 nan 0.000 0.578 627 F N 0.405 120.261 119.950 -0.157 0.000 2.529 627 F HA 0.466 5.002 4.527 0.014 0.000 0.320 627 F C -0.189 175.238 175.800 -0.622 0.000 1.118 627 F CA -1.108 56.691 58.000 -0.335 0.000 0.915 627 F CB 1.342 40.167 39.000 -0.293 0.000 1.161 627 F HN -0.317 nan 8.300 nan 0.000 0.445 628 Q N 3.110 122.625 119.800 -0.476 0.000 2.306 628 Q HA 0.598 4.946 4.340 0.013 0.000 0.265 628 Q C -1.339 174.356 176.000 -0.508 0.000 1.022 628 Q CA -0.630 54.940 55.803 -0.388 0.000 0.853 628 Q CB 2.865 31.512 28.738 -0.152 0.000 1.327 628 Q HN 0.558 nan 8.270 nan 0.000 0.449 629 F N 0.030 120.106 119.950 0.210 0.000 2.588 629 F HA 0.592 5.127 4.527 0.014 0.000 0.314 629 F C 0.300 176.334 175.800 0.391 0.000 1.069 629 F CA -0.873 57.326 58.000 0.331 0.000 0.931 629 F CB 2.129 41.456 39.000 0.546 0.000 1.260 629 F HN 0.146 nan 8.300 nan 0.000 0.465 630 R N 1.427 122.233 120.500 0.511 0.000 2.744 630 R HA 0.721 5.069 4.340 0.013 0.000 0.279 630 R C -1.985 174.385 176.300 0.117 0.000 0.977 630 R CA -1.226 55.093 56.100 0.365 0.000 0.906 630 R CB 2.888 33.305 30.300 0.196 0.000 1.197 630 R HN 0.548 nan 8.270 nan 0.000 0.463 631 L N 0.670 121.840 121.223 -0.088 0.000 2.341 631 L HA 0.533 4.881 4.340 0.013 0.000 0.278 631 L C -1.008 175.714 176.870 -0.247 0.000 1.005 631 L CA 0.088 54.641 54.840 -0.479 0.000 0.818 631 L CB 2.149 43.474 42.059 -1.222 0.000 1.259 631 L HN 0.532 nan 8.230 nan 0.000 0.418 632 S N 3.855 119.431 115.700 -0.207 0.000 2.620 632 S HA 0.688 5.166 4.470 0.013 0.000 0.244 632 S C 0.211 174.729 174.600 -0.136 0.000 1.192 632 S CA 0.266 58.389 58.200 -0.129 0.000 1.148 632 S CB -0.028 63.130 63.200 -0.068 0.000 1.106 632 S HN 1.577 nan 8.310 nan 0.000 0.474 633 G N 4.767 113.483 108.800 -0.140 0.000 2.543 633 G HA2 -0.313 3.655 3.960 0.013 0.000 0.286 633 G HA3 -0.313 3.655 3.960 0.013 0.000 0.286 633 G C 0.072 174.866 174.900 -0.177 0.000 1.153 633 G CA 0.669 45.691 45.100 -0.130 0.000 0.968 633 G HN 0.905 nan 8.290 nan 0.000 0.544 634 Q N 0.404 120.102 119.800 -0.169 0.000 2.189 634 Q HA 0.513 4.861 4.340 0.013 0.000 0.221 634 Q C 0.287 176.147 176.000 -0.232 0.000 0.848 634 Q CA 0.627 56.296 55.803 -0.222 0.000 1.007 634 Q CB 0.445 29.030 28.738 -0.254 0.000 1.116 634 Q HN 0.451 nan 8.270 nan 0.000 0.481 635 T N 1.152 115.588 114.554 -0.197 0.000 2.771 635 T HA 0.559 4.916 4.350 0.013 0.000 0.281 635 T C -0.291 174.295 174.700 -0.189 0.000 0.982 635 T CA -0.476 61.525 62.100 -0.165 0.000 0.978 635 T CB 0.770 69.575 68.868 -0.104 0.000 0.930 635 T HN 0.196 nan 8.240 nan 0.000 0.447 636 I N 2.904 123.373 120.570 -0.167 0.000 2.336 636 I HA 0.309 4.487 4.170 0.013 0.000 0.292 636 I C 0.522 176.647 176.117 0.014 0.000 0.991 636 I CA -0.526 60.703 61.300 -0.118 0.000 1.227 636 I CB 1.241 39.179 38.000 -0.104 0.000 1.366 636 I HN 0.561 nan 8.210 nan 0.000 0.466 637 E N 6.743 126.987 120.200 0.074 0.000 2.113 637 E HA 0.419 4.777 4.350 0.013 0.000 0.273 637 E C -1.498 175.215 176.600 0.189 0.000 0.924 637 E CA -0.614 55.848 56.400 0.104 0.000 0.764 637 E CB 1.494 31.240 29.700 0.078 0.000 1.104 637 E HN 0.358 nan 8.360 nan 0.000 0.406 638 V N 4.275 124.286 119.914 0.162 0.000 2.394 638 V HA 0.298 4.426 4.120 0.013 0.000 0.282 638 V C 0.058 176.186 176.094 0.056 0.000 1.031 638 V CA -0.484 61.889 62.300 0.122 0.000 0.881 638 V CB 1.610 33.536 31.823 0.172 0.000 0.982 638 V HN 0.703 nan 8.190 nan 0.000 0.451 639 T N 3.440 117.980 114.554 -0.023 0.000 2.807 639 T HA 0.335 4.693 4.350 0.013 0.000 0.279 639 T C -0.021 174.672 174.700 -0.013 0.000 0.993 639 T CA -0.232 61.866 62.100 -0.004 0.000 0.970 639 T CB 1.539 70.385 68.868 -0.036 0.000 0.950 639 T HN 0.697 nan 8.240 nan 0.000 0.441 640 S N 1.880 117.585 115.700 0.008 0.000 2.537 640 S HA 0.217 4.695 4.470 0.013 0.000 0.275 640 S C 0.807 175.279 174.600 -0.213 0.000 1.272 640 S CA -0.518 57.600 58.200 -0.137 0.000 1.050 640 S CB 0.615 63.819 63.200 0.007 0.000 0.961 640 S HN 0.731 nan 8.310 nan 0.000 0.496 641 E N 2.851 122.817 120.200 -0.390 0.000 2.481 641 E HA 0.099 4.457 4.350 0.013 0.000 0.198 641 E C -0.700 175.724 176.600 -0.293 0.000 1.027 641 E CA -0.112 56.101 56.400 -0.312 0.000 0.900 641 E CB 0.271 29.765 29.700 -0.343 0.000 0.993 641 E HN 0.704 nan 8.360 nan 0.000 0.482 642 Y N 0.462 120.638 120.300 -0.206 0.000 2.480 642 Y HA -0.029 4.529 4.550 0.013 0.000 0.338 642 Y C 1.432 177.183 175.900 -0.248 0.000 1.220 642 Y CA 0.117 58.106 58.100 -0.185 0.000 1.430 642 Y CB 0.729 39.070 38.460 -0.199 0.000 1.311 642 Y HN -0.030 nan 8.280 nan 0.000 0.575 643 L N 1.213 122.293 121.223 -0.238 0.000 2.408 643 L HA 0.056 4.404 4.340 0.013 0.000 0.215 643 L C 0.694 177.186 176.870 -0.630 0.000 1.081 643 L CA 0.667 55.132 54.840 -0.626 0.000 0.840 643 L CB 0.038 41.292 42.059 -1.341 0.000 1.002 643 L HN 0.658 nan 8.230 nan 0.000 0.468 644 F N -0.476 119.501 119.950 0.045 0.000 2.778 644 F HA 0.207 4.741 4.527 0.012 0.000 0.314 644 F C 1.255 177.049 175.800 -0.010 0.000 1.073 644 F CA -0.756 57.241 58.000 -0.005 0.000 1.218 644 F CB 0.433 39.407 39.000 -0.044 0.000 1.037 644 F HN -0.115 nan 8.300 nan 0.000 0.594 645 R N 0.009 120.571 120.500 0.104 0.000 2.643 645 R HA 0.489 4.837 4.340 0.013 0.000 0.272 645 R C -1.089 175.225 176.300 0.023 0.000 0.995 645 R CA -0.666 55.436 56.100 0.002 0.000 1.032 645 R CB 0.988 31.182 30.300 -0.178 0.000 1.126 645 R HN 0.058 nan 8.270 nan 0.000 0.505 646 H N 0.199 119.253 119.070 -0.026 0.000 2.495 646 H HA 0.164 4.727 4.556 0.013 0.000 0.350 646 H C -0.173 175.169 175.328 0.024 0.000 1.202 646 H CA -0.133 55.932 56.048 0.027 0.000 1.322 646 H CB 1.368 31.151 29.762 0.035 0.000 1.544 646 H HN 0.743 nan 8.280 nan 0.000 0.565 647 S N 1.794 117.387 115.700 -0.178 0.000 4.183 647 S HA -0.007 4.471 4.470 0.013 0.000 0.195 647 S C 0.011 174.678 174.600 0.112 0.000 1.421 647 S CA -0.277 57.953 58.200 0.049 0.000 0.920 647 S CB -0.764 62.487 63.200 0.085 0.000 1.525 647 S HN 0.711 nan 8.310 nan 0.000 0.447 648 D N 0.564 121.055 120.400 0.151 0.000 2.324 648 D HA 0.020 4.668 4.640 0.013 0.000 0.235 648 D C 0.340 176.694 176.300 0.090 0.000 1.095 648 D CA -0.105 53.989 54.000 0.158 0.000 0.871 648 D CB -0.294 40.587 40.800 0.136 0.000 0.906 648 D HN 0.477 nan 8.370 nan 0.000 0.522 649 N N 0.077 118.825 118.700 0.081 0.000 2.651 649 N HA 0.168 4.916 4.740 0.013 0.000 0.277 649 N C -1.605 173.954 175.510 0.082 0.000 1.787 649 N CA -0.201 52.889 53.050 0.066 0.000 0.818 649 N CB 0.267 38.783 38.487 0.048 0.000 1.316 649 N HN -0.039 nan 8.380 nan 0.000 0.503 650 E N -0.188 120.053 120.200 0.068 0.000 2.363 650 E HA 0.526 4.884 4.350 0.013 0.000 0.281 650 E C -1.497 175.122 176.600 0.031 0.000 0.953 650 E CA -0.695 55.734 56.400 0.048 0.000 0.778 650 E CB 1.961 31.654 29.700 -0.012 0.000 1.220 650 E HN 0.294 nan 8.360 nan 0.000 0.431 651 L N -0.302 120.947 121.223 0.044 0.000 2.371 651 L HA 0.761 5.109 4.340 0.013 0.000 0.262 651 L C -1.504 175.413 176.870 0.078 0.000 1.006 651 L CA -1.110 53.762 54.840 0.053 0.000 0.818 651 L CB 1.129 43.223 42.059 0.058 0.000 1.354 651 L HN 0.462 nan 8.230 nan 0.000 0.415 652 L N 2.283 123.560 121.223 0.090 0.000 2.272 652 L HA 0.518 4.866 4.340 0.013 0.000 0.289 652 L C -0.657 176.312 176.870 0.164 0.000 1.032 652 L CA 0.184 55.114 54.840 0.151 0.000 0.810 652 L CB 0.441 42.604 42.059 0.174 0.000 1.205 652 L HN 0.645 nan 8.230 nan 0.000 0.422 653 H N 5.716 124.860 119.070 0.124 0.000 2.457 653 H HA 0.399 4.963 4.556 0.013 0.000 0.335 653 H C -1.382 174.036 175.328 0.149 0.000 1.115 653 H CA -0.324 55.756 56.048 0.054 0.000 1.219 653 H CB 1.139 30.899 29.762 -0.003 0.000 1.471 653 H HN 0.726 nan 8.280 nan 0.000 0.491 654 W N 4.794 126.176 121.300 0.136 0.000 2.936 654 W HA 0.531 5.199 4.660 0.013 0.000 0.338 654 W C -1.774 174.832 176.519 0.144 0.000 1.121 654 W CA -1.311 56.111 57.345 0.128 0.000 1.209 654 W CB 1.385 30.883 29.460 0.064 0.000 1.420 654 W HN 0.528 nan 8.180 nan 0.000 0.516 655 M N 3.189 123.050 119.600 0.434 0.000 2.365 655 M HA 0.597 5.085 4.480 0.013 0.000 0.287 655 M C -2.585 173.941 176.300 0.377 0.000 1.154 655 M CA -0.431 54.998 55.300 0.216 0.000 0.941 655 M CB 1.991 34.633 32.600 0.071 0.000 1.704 655 M HN 0.172 nan 8.290 nan 0.000 0.479 656 V N 3.607 123.733 119.914 0.352 0.000 2.495 656 V HA 1.028 5.156 4.120 0.013 0.000 0.298 656 V C -0.304 175.908 176.094 0.195 0.000 1.031 656 V CA -0.142 62.339 62.300 0.302 0.000 0.871 656 V CB 1.228 33.238 31.823 0.313 0.000 0.988 656 V HN 1.111 nan 8.190 nan 0.000 0.432 657 A N 4.217 127.154 122.820 0.195 0.000 2.475 657 A HA 0.885 5.213 4.320 0.013 0.000 0.301 657 A C -1.444 176.248 177.584 0.180 0.000 1.059 657 A CA -0.629 51.489 52.037 0.135 0.000 0.710 657 A CB 1.735 20.776 19.000 0.069 0.000 1.288 657 A HN 0.865 nan 8.150 nan 0.000 0.408 658 L N 1.487 122.788 121.223 0.130 0.000 2.262 658 L HA 0.522 4.869 4.340 0.013 0.000 0.288 658 L C -0.635 176.327 176.870 0.152 0.000 1.035 658 L CA 0.248 55.176 54.840 0.146 0.000 0.820 658 L CB 0.236 42.352 42.059 0.095 0.000 1.204 658 L HN 0.741 nan 8.230 nan 0.000 0.424 659 D N 4.957 125.512 120.400 0.258 0.000 2.740 659 D HA -0.200 4.448 4.640 0.013 0.000 0.231 659 D C 1.213 177.568 176.300 0.093 0.000 1.194 659 D CA 1.552 55.715 54.000 0.272 0.000 0.673 659 D CB -0.959 39.958 40.800 0.195 0.000 0.995 659 D HN 1.165 nan 8.370 nan 0.000 0.411 660 G N -0.429 108.384 108.800 0.022 0.000 2.234 660 G HA2 -0.375 3.593 3.960 0.013 0.000 0.260 660 G HA3 -0.375 3.593 3.960 0.013 0.000 0.260 660 G C 0.200 175.029 174.900 -0.118 0.000 0.987 660 G CA 0.608 45.609 45.100 -0.164 0.000 0.625 660 G HN 0.538 nan 8.290 nan 0.000 0.532 661 K N 1.840 122.220 120.400 -0.034 0.000 2.253 661 K HA 0.494 4.822 4.320 0.013 0.000 0.277 661 K C -2.788 173.807 176.600 -0.009 0.000 1.053 661 K CA -2.026 54.242 56.287 -0.031 0.000 0.892 661 K CB 1.765 34.260 32.500 -0.008 0.000 1.102 661 K HN 0.046 nan 8.250 nan 0.000 0.469 662 P HA -0.035 nan 4.420 nan 0.000 0.264 662 P C 0.008 177.314 177.300 0.009 0.000 1.193 662 P CA 0.152 63.241 63.100 -0.017 0.000 0.763 662 P CB 0.666 32.336 31.700 -0.049 0.000 0.810 663 L N 1.565 122.813 121.223 0.041 0.000 2.600 663 L HA 0.451 4.799 4.340 0.013 0.000 0.213 663 L C 0.881 177.791 176.870 0.067 0.000 1.045 663 L CA 0.493 55.367 54.840 0.058 0.000 0.863 663 L CB 0.236 42.349 42.059 0.090 0.000 1.189 663 L HN 0.395 nan 8.230 nan 0.000 0.484 664 A N -0.499 122.376 122.820 0.092 0.000 2.610 664 A HA 0.710 5.038 4.320 0.013 0.000 0.291 664 A C -1.128 176.392 177.584 -0.107 0.000 1.086 664 A CA -0.067 52.024 52.037 0.090 0.000 0.677 664 A CB 1.785 20.953 19.000 0.280 0.000 1.278 664 A HN 0.113 nan 8.150 nan 0.000 0.414 665 S N -1.095 114.267 115.700 -0.564 0.000 2.597 665 S HA 0.893 5.371 4.470 0.013 0.000 0.274 665 S C -0.326 173.344 174.600 -1.549 0.000 1.132 665 S CA -0.198 57.241 58.200 -1.269 0.000 0.835 665 S CB 0.901 63.794 63.200 -0.510 0.000 1.092 665 S HN 2.556 nan 8.310 nan 0.000 0.457 666 G N 0.041 107.598 108.800 -2.071 0.000 2.548 666 G HA2 0.685 4.653 3.960 0.013 0.000 0.301 666 G HA3 0.685 4.653 3.960 0.013 0.000 0.301 666 G C -2.391 171.898 174.900 -1.018 0.000 1.349 666 G CA -0.871 43.548 45.100 -1.135 0.000 0.792 666 G HN 0.841 nan 8.290 nan 0.000 0.481 667 E N -1.378 118.551 120.200 -0.451 0.000 2.356 667 E HA 0.659 5.016 4.350 0.013 0.000 0.275 667 E C -1.578 175.011 176.600 -0.018 0.000 0.904 667 E CA -0.965 55.229 56.400 -0.343 0.000 0.757 667 E CB 3.289 32.711 29.700 -0.464 0.000 1.232 667 E HN 0.356 nan 8.360 nan 0.000 0.442 668 V N 2.176 122.121 119.914 0.051 0.000 2.777 668 V HA 0.386 4.514 4.120 0.013 0.000 0.306 668 V C -2.417 173.714 176.094 0.061 0.000 1.112 668 V CA -1.886 60.462 62.300 0.080 0.000 0.917 668 V CB 2.267 34.166 31.823 0.126 0.000 1.018 668 V HN 0.627 nan 8.190 nan 0.000 0.426 669 P HA 0.189 nan 4.420 nan 0.000 0.268 669 P C -0.869 176.463 177.300 0.054 0.000 1.205 669 P CA -0.020 63.110 63.100 0.050 0.000 0.771 669 P CB 1.047 32.778 31.700 0.052 0.000 0.858 670 L N 2.874 124.120 121.223 0.039 0.000 2.295 670 L HA 0.315 4.663 4.340 0.013 0.000 0.285 670 L C 0.177 177.069 176.870 0.036 0.000 1.035 670 L CA 0.029 54.879 54.840 0.017 0.000 0.806 670 L CB 1.017 43.037 42.059 -0.064 0.000 1.214 670 L HN 0.346 nan 8.230 nan 0.000 0.426 671 D N 2.687 123.115 120.400 0.047 0.000 2.468 671 D HA 0.334 4.982 4.640 0.013 0.000 0.272 671 D C -1.167 175.101 176.300 -0.055 0.000 1.221 671 D CA -0.077 53.980 54.000 0.095 0.000 0.860 671 D CB 1.015 41.943 40.800 0.214 0.000 1.190 671 D HN 0.054 nan 8.370 nan 0.000 0.509 672 V N 0.728 120.453 119.914 -0.315 0.000 2.555 672 V HA 0.879 5.007 4.120 0.013 0.000 0.302 672 V C 0.753 176.606 176.094 -0.401 0.000 1.038 672 V CA -1.292 60.904 62.300 -0.172 0.000 0.887 672 V CB 1.455 33.304 31.823 0.045 0.000 0.991 672 V HN 0.416 nan 8.190 nan 0.000 0.434 673 A N 5.733 128.515 122.820 -0.063 0.000 2.313 673 A HA 0.728 5.056 4.320 0.013 0.000 0.261 673 A C -2.313 175.305 177.584 0.056 0.000 1.090 673 A CA -1.509 50.599 52.037 0.118 0.000 0.807 673 A CB -0.210 18.899 19.000 0.183 0.000 1.055 673 A HN 0.716 nan 8.150 nan 0.000 0.492 674 P HA 0.045 nan 4.420 nan 0.000 0.264 674 P C -0.503 176.801 177.300 0.007 0.000 1.193 674 P CA 0.491 63.617 63.100 0.043 0.000 0.763 674 P CB 0.613 32.328 31.700 0.024 0.000 0.810 675 Q N -1.050 118.734 119.800 -0.026 0.000 2.348 675 Q HA -0.181 4.167 4.340 0.013 0.000 0.221 675 Q C 0.794 176.790 176.000 -0.008 0.000 0.735 675 Q CA 1.775 57.555 55.803 -0.039 0.000 1.351 675 Q CB -2.529 26.183 28.738 -0.044 0.000 1.640 675 Q HN 0.768 nan 8.270 nan 0.000 0.667 676 G N 0.259 109.069 108.800 0.018 0.000 2.543 676 G HA2 0.512 4.480 3.960 0.013 0.000 0.290 676 G HA3 0.512 4.480 3.960 0.013 0.000 0.290 676 G C -0.232 174.690 174.900 0.036 0.000 1.310 676 G CA -0.479 44.642 45.100 0.034 0.000 1.025 676 G HN 0.010 nan 8.290 nan 0.000 0.502 677 K N -0.794 119.632 120.400 0.044 0.000 2.435 677 K HA 0.469 4.796 4.320 0.013 0.000 0.251 677 K C -0.965 175.670 176.600 0.057 0.000 0.954 677 K CA -0.592 55.724 56.287 0.049 0.000 0.820 677 K CB 2.563 35.085 32.500 0.037 0.000 1.292 677 K HN 0.530 nan 8.250 nan 0.000 0.436 678 Q N 2.702 122.541 119.800 0.065 0.000 2.331 678 Q HA 0.424 4.772 4.340 0.013 0.000 0.272 678 Q C -1.668 174.368 176.000 0.060 0.000 1.062 678 Q CA -0.688 55.152 55.803 0.063 0.000 0.806 678 Q CB 1.491 30.271 28.738 0.069 0.000 1.312 678 Q HN 0.512 nan 8.270 nan 0.000 0.431 679 L N 4.593 125.841 121.223 0.041 0.000 2.309 679 L HA 0.606 4.954 4.340 0.013 0.000 0.282 679 L C -0.499 176.378 176.870 0.013 0.000 1.036 679 L CA -0.760 54.094 54.840 0.024 0.000 0.806 679 L CB 1.446 43.509 42.059 0.007 0.000 1.220 679 L HN 0.590 nan 8.230 nan 0.000 0.429 680 I N 2.358 122.925 120.570 -0.006 0.000 2.468 680 I HA 0.236 4.414 4.170 0.013 0.000 0.285 680 I C -0.702 175.362 176.117 -0.089 0.000 1.039 680 I CA -0.526 60.758 61.300 -0.028 0.000 1.074 680 I CB 2.264 40.262 38.000 -0.004 0.000 1.228 680 I HN 0.551 nan 8.210 nan 0.000 0.436 681 E N 6.222 126.367 120.200 -0.091 0.000 2.174 681 E HA 0.464 4.822 4.350 0.013 0.000 0.282 681 E C -0.701 175.785 176.600 -0.189 0.000 0.992 681 E CA -0.330 55.992 56.400 -0.130 0.000 0.803 681 E CB 1.332 30.978 29.700 -0.090 0.000 1.090 681 E HN 0.402 nan 8.360 nan 0.000 0.396 682 L N 4.653 125.705 121.223 -0.286 0.000 2.439 682 L HA 0.385 4.733 4.340 0.013 0.000 0.261 682 L C -1.843 174.858 176.870 -0.283 0.000 1.153 682 L CA -2.053 52.527 54.840 -0.432 0.000 0.808 682 L CB 0.459 42.149 42.059 -0.616 0.000 1.126 682 L HN 0.325 nan 8.230 nan 0.000 0.460 683 P HA -0.049 nan 4.420 nan 0.000 0.269 683 P C -0.545 176.693 177.300 -0.104 0.000 1.217 683 P CA -0.207 62.829 63.100 -0.107 0.000 0.783 683 P CB 0.315 32.023 31.700 0.013 0.000 0.898 684 E N 2.371 122.543 120.200 -0.046 0.000 2.415 684 E HA 0.012 4.370 4.350 0.013 0.000 0.263 684 E C -0.933 175.656 176.600 -0.019 0.000 0.995 684 E CA 0.263 56.641 56.400 -0.037 0.000 0.915 684 E CB 0.127 29.818 29.700 -0.015 0.000 0.951 684 E HN 0.285 nan 8.360 nan 0.000 0.449 685 L N 4.902 126.108 121.223 -0.029 0.000 2.347 685 L HA 0.475 4.822 4.340 0.013 0.000 0.268 685 L C -2.040 174.843 176.870 0.021 0.000 1.019 685 L CA -2.570 52.272 54.840 0.004 0.000 0.806 685 L CB 1.518 43.566 42.059 -0.019 0.000 1.339 685 L HN 0.544 nan 8.230 nan 0.000 0.463 686 P HA 0.140 nan 4.420 nan 0.000 0.276 686 P C -1.522 175.795 177.300 0.027 0.000 1.235 686 P CA -0.286 62.839 63.100 0.042 0.000 0.772 686 P CB 0.687 32.423 31.700 0.060 0.000 0.871 687 Q N 3.381 123.193 119.800 0.019 0.000 2.798 687 Q HA 0.334 4.682 4.340 0.013 0.000 0.250 687 Q C -2.223 173.787 176.000 0.016 0.000 1.006 687 Q CA -1.447 54.363 55.803 0.011 0.000 0.759 687 Q CB 0.716 29.455 28.738 0.002 0.000 1.201 687 Q HN 0.385 nan 8.270 nan 0.000 0.486 688 P HA 0.065 nan 4.420 nan 0.000 0.278 688 P C 0.140 177.452 177.300 0.020 0.000 1.238 688 P CA -0.311 62.803 63.100 0.024 0.000 0.794 688 P CB 1.147 32.866 31.700 0.031 0.000 0.955 689 E N -0.057 120.154 120.200 0.019 0.000 2.216 689 E HA -0.046 4.312 4.350 0.013 0.000 0.192 689 E C 0.640 177.252 176.600 0.021 0.000 0.988 689 E CA 0.305 56.716 56.400 0.017 0.000 0.834 689 E CB -0.414 29.294 29.700 0.014 0.000 0.772 689 E HN 0.362 nan 8.360 nan 0.000 0.479 690 S N 1.017 116.732 115.700 0.025 0.000 2.558 690 S HA 0.221 4.699 4.470 0.013 0.000 0.293 690 S C 0.281 174.902 174.600 0.034 0.000 1.292 690 S CA 0.035 58.253 58.200 0.030 0.000 1.063 690 S CB 0.324 63.543 63.200 0.032 0.000 0.831 690 S HN 0.367 nan 8.310 nan 0.000 0.499 691 A N 3.900 126.742 122.820 0.038 0.000 2.507 691 A HA 0.607 4.935 4.320 0.013 0.000 0.235 691 A C 1.020 178.637 177.584 0.055 0.000 1.070 691 A CA 0.420 52.483 52.037 0.043 0.000 0.768 691 A CB -0.702 18.326 19.000 0.047 0.000 1.011 691 A HN 2.006 nan 8.150 nan 0.000 0.502 692 G N -0.366 108.468 108.800 0.056 0.000 2.351 692 G HA2 0.450 4.418 3.960 0.013 0.000 0.353 692 G HA3 0.450 4.418 3.960 0.013 0.000 0.353 692 G C -1.059 173.874 174.900 0.055 0.000 1.358 692 G CA -0.142 45.005 45.100 0.078 0.000 0.995 692 G HN 1.259 nan 8.290 nan 0.000 0.611 693 Q N -0.290 119.557 119.800 0.079 0.000 2.290 693 Q HA 0.728 5.076 4.340 0.013 0.000 0.259 693 Q C -0.296 175.744 176.000 0.066 0.000 0.941 693 Q CA -0.637 55.165 55.803 -0.002 0.000 0.912 693 Q CB 1.312 29.995 28.738 -0.092 0.000 1.244 693 Q HN 0.595 nan 8.270 nan 0.000 0.441 694 L N 4.332 125.544 121.223 -0.018 0.000 2.331 694 L HA 0.415 4.763 4.340 0.013 0.000 0.278 694 L C -0.813 176.060 176.870 0.004 0.000 1.106 694 L CA -0.241 54.633 54.840 0.056 0.000 0.824 694 L CB 0.601 42.676 42.059 0.027 0.000 1.142 694 L HN 0.690 nan 8.230 nan 0.000 0.443 695 W N 4.431 125.776 121.300 0.074 0.000 2.739 695 W HA 0.472 5.139 4.660 0.013 0.000 0.331 695 W C -0.814 175.802 176.519 0.162 0.000 1.049 695 W CA -0.537 56.874 57.345 0.110 0.000 1.234 695 W CB 1.723 31.260 29.460 0.128 0.000 1.404 695 W HN 0.132 nan 8.180 nan 0.000 0.477 696 L N 3.756 125.248 121.223 0.448 0.000 2.282 696 L HA 0.735 5.083 4.340 0.013 0.000 0.288 696 L C -0.272 176.899 176.870 0.502 0.000 1.033 696 L CA 0.295 55.387 54.840 0.421 0.000 0.807 696 L CB 1.119 43.380 42.059 0.335 0.000 1.209 696 L HN 0.305 nan 8.230 nan 0.000 0.423 697 T N 5.181 119.981 114.554 0.409 0.000 2.824 697 T HA 0.656 5.014 4.350 0.013 0.000 0.282 697 T C -0.710 174.191 174.700 0.336 0.000 0.993 697 T CA -0.422 61.883 62.100 0.341 0.000 0.967 697 T CB 1.528 70.527 68.868 0.219 0.000 0.960 697 T HN 0.606 nan 8.240 nan 0.000 0.441 698 V N 1.724 121.813 119.914 0.292 0.000 2.769 698 V HA 0.859 4.987 4.120 0.013 0.000 0.312 698 V C -0.734 175.460 176.094 0.165 0.000 1.061 698 V CA -1.148 61.290 62.300 0.230 0.000 0.931 698 V CB 1.912 33.821 31.823 0.144 0.000 1.010 698 V HN 0.811 nan 8.190 nan 0.000 0.433 699 R N 2.128 122.750 120.500 0.203 0.000 2.673 699 R HA 0.783 5.131 4.340 0.013 0.000 0.281 699 R C -1.610 174.832 176.300 0.236 0.000 0.991 699 R CA -0.732 55.511 56.100 0.238 0.000 0.896 699 R CB 2.698 33.099 30.300 0.169 0.000 1.201 699 R HN 0.698 nan 8.270 nan 0.000 0.457 700 V N 3.434 123.511 119.914 0.272 0.000 2.394 700 V HA 0.378 4.506 4.120 0.013 0.000 0.282 700 V C -0.354 175.848 176.094 0.180 0.000 1.031 700 V CA -0.569 61.849 62.300 0.196 0.000 0.881 700 V CB 1.654 33.571 31.823 0.156 0.000 0.982 700 V HN 0.430 nan 8.190 nan 0.000 0.451 701 V N 5.184 125.184 119.914 0.144 0.000 2.555 701 V HA 0.417 4.545 4.120 0.013 0.000 0.302 701 V C -0.240 175.927 176.094 0.121 0.000 1.038 701 V CA -0.763 61.611 62.300 0.124 0.000 0.887 701 V CB 1.918 33.812 31.823 0.119 0.000 0.991 701 V HN 0.877 nan 8.190 nan 0.000 0.434 702 Q N 5.232 125.113 119.800 0.134 0.000 2.390 702 Q HA 0.275 4.623 4.340 0.013 0.000 0.249 702 Q C -1.814 174.224 176.000 0.063 0.000 0.996 702 Q CA -1.759 54.110 55.803 0.109 0.000 0.899 702 Q CB 1.956 30.769 28.738 0.125 0.000 1.216 702 Q HN 0.479 nan 8.270 nan 0.000 0.465 703 P HA -0.149 nan 4.420 nan 0.000 0.219 703 P C -0.574 176.732 177.300 0.010 0.000 1.150 703 P CA 1.118 64.239 63.100 0.035 0.000 0.814 703 P CB 0.403 32.125 31.700 0.037 0.000 0.787 704 N N -0.714 117.982 118.700 -0.006 0.000 2.456 704 N HA 0.468 5.216 4.740 0.013 0.000 0.296 704 N C -0.385 175.077 175.510 -0.079 0.000 1.102 704 N CA -0.740 52.291 53.050 -0.032 0.000 0.924 704 N CB 1.107 39.578 38.487 -0.027 0.000 1.186 704 N HN -0.077 nan 8.380 nan 0.000 0.492 705 A N 0.669 123.436 122.820 -0.088 0.000 2.366 705 A HA 0.488 4.816 4.320 0.013 0.000 0.249 705 A C 0.561 178.028 177.584 -0.195 0.000 1.084 705 A CA -0.028 51.921 52.037 -0.146 0.000 0.794 705 A CB 0.062 19.001 19.000 -0.103 0.000 1.034 705 A HN 0.710 nan 8.150 nan 0.000 0.491 706 T N -3.301 111.060 114.554 -0.321 0.000 2.693 706 T HA 0.627 4.985 4.350 0.013 0.000 0.278 706 T C 0.955 175.501 174.700 -0.255 0.000 0.994 706 T CA 0.074 61.964 62.100 -0.349 0.000 1.033 706 T CB 1.043 69.460 68.868 -0.751 0.000 1.342 706 T HN 1.355 nan 8.240 nan 0.000 0.538 707 A N -0.125 122.621 122.820 -0.124 0.000 2.067 707 A HA 0.120 4.448 4.320 0.013 0.000 0.219 707 A C 1.650 179.354 177.584 0.200 0.000 1.158 707 A CA 1.065 53.132 52.037 0.051 0.000 0.661 707 A CB -0.853 18.196 19.000 0.082 0.000 0.801 707 A HN 0.911 nan 8.150 nan 0.000 0.452 708 W N -0.674 120.688 121.300 0.103 0.000 2.870 708 W HA 0.423 5.091 4.660 0.014 0.000 0.358 708 W C -0.256 176.242 176.519 -0.036 0.000 1.043 708 W CA 0.474 57.868 57.345 0.082 0.000 1.692 708 W CB -1.033 28.472 29.460 0.074 0.000 1.100 708 W HN 0.387 nan 8.180 nan 0.000 0.557 709 S N -0.111 115.206 115.700 -0.640 0.000 2.570 709 S HA 0.446 4.924 4.470 0.013 0.000 0.270 709 S C -0.950 173.428 174.600 -0.369 0.000 1.149 709 S CA -0.789 57.049 58.200 -0.604 0.000 0.837 709 S CB 2.718 65.189 63.200 -1.215 0.000 1.124 709 S HN 0.107 nan 8.310 nan 0.000 0.465 710 E N 0.493 120.586 120.200 -0.180 0.000 2.318 710 E HA 0.577 4.935 4.350 0.013 0.000 0.265 710 E C 0.236 176.804 176.600 -0.054 0.000 1.069 710 E CA -0.828 55.524 56.400 -0.080 0.000 0.893 710 E CB 1.320 31.017 29.700 -0.006 0.000 1.076 710 E HN 0.863 nan 8.360 nan 0.000 0.414 711 A N 0.689 123.486 122.820 -0.039 0.000 2.531 711 A HA 0.350 4.678 4.320 0.013 0.000 0.236 711 A C 1.154 178.750 177.584 0.020 0.000 1.062 711 A CA 0.866 52.893 52.037 -0.017 0.000 0.760 711 A CB -0.469 18.522 19.000 -0.015 0.000 0.995 711 A HN 0.823 nan 8.150 nan 0.000 0.501 712 G N 0.518 109.341 108.800 0.038 0.000 2.176 712 G HA2 -0.257 3.711 3.960 0.013 0.000 0.253 712 G HA3 -0.257 3.711 3.960 0.013 0.000 0.253 712 G C 0.240 175.188 174.900 0.080 0.000 0.979 712 G CA 0.762 45.890 45.100 0.047 0.000 0.641 712 G HN 1.816 nan 8.290 nan 0.000 0.530 713 H N 0.609 119.684 119.070 0.009 0.000 3.001 713 H HA 0.448 5.012 4.556 0.013 0.000 0.334 713 H C 0.765 176.162 175.328 0.115 0.000 1.034 713 H CA 0.296 56.375 56.048 0.051 0.000 1.420 713 H CB 0.198 29.968 29.762 0.014 0.000 1.405 713 H HN 0.300 nan 8.280 nan 0.000 0.593 714 I N 4.492 124.842 120.570 -0.367 0.000 2.342 714 I HA 0.035 4.213 4.170 0.013 0.000 0.291 714 I C 0.822 176.829 176.117 -0.184 0.000 1.010 714 I CA 0.071 61.281 61.300 -0.151 0.000 1.308 714 I CB 1.522 39.483 38.000 -0.064 0.000 1.400 714 I HN 0.795 nan 8.210 nan 0.000 0.488 715 S N 4.005 119.801 115.700 0.160 0.000 2.512 715 S HA 0.572 5.050 4.470 0.013 0.000 0.216 715 S C 0.376 175.234 174.600 0.429 0.000 1.006 715 S CA -0.145 58.267 58.200 0.355 0.000 0.915 715 S CB 0.637 64.165 63.200 0.548 0.000 0.824 715 S HN 0.706 nan 8.310 nan 0.000 0.497 716 A N 0.622 123.726 122.820 0.473 0.000 2.608 716 A HA 0.692 5.020 4.320 0.013 0.000 0.292 716 A C -1.808 176.135 177.584 0.598 0.000 1.066 716 A CA -0.939 51.355 52.037 0.427 0.000 0.676 716 A CB 0.485 19.790 19.000 0.509 0.000 1.277 716 A HN 0.881 nan 8.150 nan 0.000 0.413 717 W N -0.200 121.282 121.300 0.304 0.000 3.005 717 W HA 0.816 5.484 4.660 0.014 0.000 0.343 717 W C -1.153 175.429 176.519 0.105 0.000 1.243 717 W CA -0.620 56.803 57.345 0.129 0.000 1.186 717 W CB 1.160 30.664 29.460 0.074 0.000 1.453 717 W HN 1.059 nan 8.180 nan 0.000 0.575 718 Q N 0.870 120.746 119.800 0.127 0.000 2.647 718 Q HA 0.443 4.791 4.340 0.013 0.000 0.283 718 Q C -1.685 174.190 176.000 -0.207 0.000 0.943 718 Q CA -0.464 55.256 55.803 -0.139 0.000 0.813 718 Q CB 2.263 30.744 28.738 -0.428 0.000 1.477 718 Q HN 0.625 nan 8.270 nan 0.000 0.393 719 Q N 1.112 120.712 119.800 -0.334 0.000 2.456 719 Q HA 0.636 4.984 4.340 0.013 0.000 0.283 719 Q C -1.215 174.683 176.000 -0.169 0.000 1.084 719 Q CA -0.727 55.083 55.803 0.011 0.000 0.801 719 Q CB 2.497 31.430 28.738 0.325 0.000 1.434 719 Q HN 0.612 nan 8.270 nan 0.000 0.419 720 W N 0.854 122.310 121.300 0.261 0.000 3.127 720 W HA 0.431 5.099 4.660 0.013 0.000 0.330 720 W C -0.423 176.031 176.519 -0.108 0.000 1.187 720 W CA -0.673 56.724 57.345 0.087 0.000 1.198 720 W CB 1.779 31.256 29.460 0.029 0.000 1.408 720 W HN 0.428 nan 8.180 nan 0.000 0.529 721 R N 1.819 122.180 120.500 -0.231 0.000 2.442 721 R HA 0.382 4.730 4.340 0.013 0.000 0.291 721 R C 0.497 176.655 176.300 -0.237 0.000 1.069 721 R CA 0.042 55.753 56.100 -0.649 0.000 1.022 721 R CB 0.904 30.773 30.300 -0.720 0.000 0.976 721 R HN 0.308 nan 8.270 nan 0.000 0.443 722 L N 1.372 122.465 121.223 -0.217 0.000 2.783 722 L HA 0.529 4.876 4.340 0.013 0.000 0.205 722 L C 0.555 177.348 176.870 -0.128 0.000 1.985 722 L CA -1.064 53.708 54.840 -0.113 0.000 2.546 722 L CB -0.127 41.900 42.059 -0.053 0.000 2.829 722 L HN 0.582 nan 8.230 nan 0.000 0.614 723 A N 0.344 123.114 122.820 -0.084 0.000 2.445 723 A HA 0.204 4.532 4.320 0.013 0.000 0.242 723 A C -0.306 177.230 177.584 -0.081 0.000 1.075 723 A CA 0.184 52.177 52.037 -0.073 0.000 0.777 723 A CB 0.119 19.092 19.000 -0.045 0.000 1.013 723 A HN 0.598 nan 8.150 nan 0.000 0.493 724 E N 1.205 121.362 120.200 -0.072 0.000 2.210 724 E HA 0.303 4.661 4.350 0.013 0.000 0.266 724 E C -1.340 175.244 176.600 -0.027 0.000 0.883 724 E CA -0.705 55.658 56.400 -0.061 0.000 0.761 724 E CB 0.810 30.463 29.700 -0.079 0.000 1.156 724 E HN 0.692 nan 8.360 nan 0.000 0.412 725 N N 5.192 123.888 118.700 -0.007 0.000 2.564 725 N HA 0.256 5.004 4.740 0.013 0.000 0.248 725 N C -0.565 174.954 175.510 0.015 0.000 0.986 725 N CA -0.323 52.730 53.050 0.005 0.000 0.921 725 N CB 1.093 39.588 38.487 0.013 0.000 1.136 725 N HN 0.468 nan 8.380 nan 0.000 0.509 726 L N 0.749 121.980 121.223 0.013 0.000 2.456 726 L HA 0.103 4.451 4.340 0.013 0.000 0.272 726 L C 1.309 178.197 176.870 0.030 0.000 1.189 726 L CA 0.090 54.944 54.840 0.024 0.000 0.846 726 L CB 0.511 42.583 42.059 0.022 0.000 1.111 726 L HN 0.354 nan 8.230 nan 0.000 0.475 727 S N 1.466 117.190 115.700 0.040 0.000 2.510 727 S HA 0.205 4.683 4.470 0.013 0.000 0.279 727 S C 0.630 175.252 174.600 0.037 0.000 1.284 727 S CA -0.740 57.484 58.200 0.040 0.000 1.059 727 S CB 0.746 63.976 63.200 0.050 0.000 0.901 727 S HN 0.472 nan 8.310 nan 0.000 0.491 728 V N 2.185 122.117 119.914 0.031 0.000 3.477 728 V HA 0.316 4.444 4.120 0.013 0.000 0.297 728 V C 0.559 176.668 176.094 0.026 0.000 1.433 728 V CA -0.015 62.301 62.300 0.027 0.000 1.052 728 V CB -0.616 31.220 31.823 0.021 0.000 0.895 728 V HN 0.826 nan 8.190 nan 0.000 0.438 729 T N 1.345 115.916 114.554 0.030 0.000 2.799 729 T HA 0.619 4.977 4.350 0.013 0.000 0.296 729 T C -0.232 174.486 174.700 0.030 0.000 0.947 729 T CA -0.166 61.952 62.100 0.029 0.000 1.141 729 T CB 0.959 69.845 68.868 0.030 0.000 0.891 729 T HN 0.284 nan 8.240 nan 0.000 0.533 730 L N 5.215 126.453 121.223 0.025 0.000 2.349 730 L HA 0.389 4.737 4.340 0.013 0.000 0.275 730 L C -1.522 175.362 176.870 0.024 0.000 1.115 730 L CA -1.741 53.112 54.840 0.022 0.000 0.820 730 L CB -0.029 42.040 42.059 0.016 0.000 1.135 730 L HN 0.549 nan 8.230 nan 0.000 0.445 731 P HA 0.298 nan 4.420 nan 0.000 0.279 731 P C -0.557 176.751 177.300 0.014 0.000 1.239 731 P CA -0.534 62.582 63.100 0.027 0.000 0.789 731 P CB 0.986 32.706 31.700 0.033 0.000 0.933 732 A N 2.292 125.122 122.820 0.017 0.000 2.409 732 A HA 0.487 4.815 4.320 0.013 0.000 0.246 732 A C 0.554 178.112 177.584 -0.044 0.000 1.099 732 A CA 0.047 52.083 52.037 -0.001 0.000 0.789 732 A CB -0.395 18.618 19.000 0.022 0.000 1.053 732 A HN 0.682 nan 8.150 nan 0.000 0.503 733 A N 0.609 123.373 122.820 -0.093 0.000 2.351 733 A HA 0.538 4.866 4.320 0.013 0.000 0.257 733 A C 0.746 178.103 177.584 -0.379 0.000 1.087 733 A CA 0.317 52.254 52.037 -0.167 0.000 0.798 733 A CB -0.171 18.739 19.000 -0.149 0.000 1.033 733 A HN 1.926 nan 8.150 nan 0.000 0.488 734 S N 0.483 115.977 115.700 -0.344 0.000 2.480 734 S HA 0.423 4.901 4.470 0.013 0.000 0.286 734 S C -0.406 173.921 174.600 -0.455 0.000 1.180 734 S CA -0.630 57.322 58.200 -0.412 0.000 1.075 734 S CB 0.296 63.455 63.200 -0.068 0.000 0.996 734 S HN 0.645 nan 8.310 nan 0.000 0.487 735 H N 1.919 121.002 119.070 0.021 0.000 2.983 735 H HA 0.704 5.268 4.556 0.013 0.000 0.222 735 H C 0.304 175.644 175.328 0.021 0.000 1.828 735 H CA 0.250 56.309 56.048 0.018 0.000 1.309 735 H CB -0.946 28.825 29.762 0.015 0.000 1.644 735 H HN 0.958 nan 8.280 nan 0.000 0.561 736 A N 1.387 124.256 122.820 0.081 0.000 2.586 736 A HA 0.441 4.769 4.320 0.013 0.000 0.298 736 A C -1.769 175.852 177.584 0.061 0.000 1.013 736 A CA -0.809 51.278 52.037 0.083 0.000 0.707 736 A CB 1.127 20.195 19.000 0.113 0.000 1.276 736 A HN 0.299 nan 8.150 nan 0.000 0.414 737 I N 1.794 122.413 120.570 0.080 0.000 2.533 737 I HA 0.701 4.879 4.170 0.013 0.000 0.290 737 I C -2.985 173.223 176.117 0.151 0.000 1.056 737 I CA -2.382 58.972 61.300 0.091 0.000 1.057 737 I CB 1.859 39.901 38.000 0.069 0.000 1.240 737 I HN 0.358 nan 8.210 nan 0.000 0.423 738 P HA 0.288 nan 4.420 nan 0.000 0.271 738 P C -1.095 176.358 177.300 0.255 0.000 1.218 738 P CA 0.246 63.438 63.100 0.153 0.000 0.780 738 P CB 0.341 32.068 31.700 0.046 0.000 0.901 739 H N 0.900 120.000 119.070 0.050 0.000 2.472 739 H HA 0.420 4.984 4.556 0.013 0.000 0.338 739 H C -0.602 174.754 175.328 0.046 0.000 1.133 739 H CA -0.940 55.129 56.048 0.035 0.000 1.216 739 H CB 1.718 31.503 29.762 0.038 0.000 1.497 739 H HN 0.266 nan 8.280 nan 0.000 0.500 740 L N 2.245 123.500 121.223 0.054 0.000 2.317 740 L HA 0.359 4.707 4.340 0.013 0.000 0.281 740 L C -0.562 176.348 176.870 0.066 0.000 1.024 740 L CA -0.032 54.839 54.840 0.051 0.000 0.810 740 L CB 1.806 43.843 42.059 -0.037 0.000 1.240 740 L HN 0.508 nan 8.230 nan 0.000 0.427 741 T N 3.210 117.835 114.554 0.117 0.000 2.881 741 T HA 0.597 4.955 4.350 0.013 0.000 0.290 741 T C -0.649 174.148 174.700 0.162 0.000 1.000 741 T CA -0.372 61.794 62.100 0.111 0.000 0.978 741 T CB 1.446 70.373 68.868 0.098 0.000 0.997 741 T HN 0.717 nan 8.240 nan 0.000 0.443 742 T N 2.428 117.072 114.554 0.149 0.000 2.912 742 T HA 0.837 5.195 4.350 0.013 0.000 0.288 742 T C -0.376 174.371 174.700 0.079 0.000 1.030 742 T CA -0.749 61.463 62.100 0.187 0.000 1.020 742 T CB 1.575 70.573 68.868 0.215 0.000 1.056 742 T HN 0.743 nan 8.240 nan 0.000 0.480 743 S N 0.060 115.768 115.700 0.013 0.000 2.671 743 S HA 0.442 4.920 4.470 0.013 0.000 0.277 743 S C 0.743 175.292 174.600 -0.085 0.000 1.165 743 S CA -0.868 57.320 58.200 -0.020 0.000 0.822 743 S CB 1.652 64.844 63.200 -0.013 0.000 1.150 743 S HN 0.726 nan 8.310 nan 0.000 0.479 744 E N -0.422 119.738 120.200 -0.067 0.000 2.160 744 E HA -0.125 4.233 4.350 0.013 0.000 0.195 744 E C 1.090 177.608 176.600 -0.136 0.000 0.991 744 E CA 1.290 57.636 56.400 -0.090 0.000 0.810 744 E CB -0.107 29.561 29.700 -0.053 0.000 0.742 744 E HN 0.577 nan 8.360 nan 0.000 0.466 745 M N 0.252 119.786 119.600 -0.109 0.000 2.510 745 M HA 0.149 4.637 4.480 0.013 0.000 0.256 745 M C -0.105 176.113 176.300 -0.137 0.000 1.132 745 M CA 0.613 55.852 55.300 -0.102 0.000 1.105 745 M CB 0.335 32.910 32.600 -0.041 0.000 1.375 745 M HN -0.108 nan 8.290 nan 0.000 0.477 746 D N -1.171 119.127 120.400 -0.170 0.000 2.599 746 D HA 0.408 5.056 4.640 0.013 0.000 0.252 746 D C -1.530 174.674 176.300 -0.160 0.000 1.232 746 D CA -0.333 53.589 54.000 -0.130 0.000 0.819 746 D CB 2.307 43.124 40.800 0.028 0.000 1.401 746 D HN -0.082 nan 8.370 nan 0.000 0.429 747 F N 0.906 120.938 119.950 0.136 0.000 2.449 747 F HA 0.388 4.923 4.527 0.013 0.000 0.342 747 F C 0.031 175.962 175.800 0.218 0.000 1.127 747 F CA -0.760 57.314 58.000 0.124 0.000 0.975 747 F CB 1.306 40.336 39.000 0.050 0.000 1.146 747 F HN 0.049 nan 8.300 nan 0.000 0.444 748 C N 4.807 124.323 119.300 0.359 0.000 2.379 748 C HA 0.757 5.224 4.460 0.013 0.000 0.323 748 C C -0.198 174.964 174.990 0.285 0.000 1.262 748 C CA -0.925 58.278 59.018 0.309 0.000 1.581 748 C CB 0.639 28.490 27.740 0.185 0.000 2.221 748 C HN 0.581 nan 8.230 nan 0.000 0.497 749 I N 2.248 123.037 120.570 0.365 0.000 2.509 749 I HA 0.530 4.707 4.170 0.013 0.000 0.293 749 I C -0.198 176.180 176.117 0.434 0.000 1.020 749 I CA -0.137 61.366 61.300 0.337 0.000 1.088 749 I CB 1.564 39.749 38.000 0.308 0.000 1.267 749 I HN 0.687 nan 8.210 nan 0.000 0.430 750 E N 5.538 125.933 120.200 0.325 0.000 2.272 750 E HA 0.729 5.087 4.350 0.013 0.000 0.269 750 E C -1.908 174.853 176.600 0.268 0.000 0.877 750 E CA -0.831 55.735 56.400 0.278 0.000 0.755 750 E CB 2.357 32.123 29.700 0.110 0.000 1.192 750 E HN 0.525 nan 8.360 nan 0.000 0.422 751 L N 5.033 126.436 121.223 0.300 0.000 2.555 751 L HA 0.540 4.888 4.340 0.013 0.000 0.264 751 L C 0.138 177.096 176.870 0.146 0.000 0.972 751 L CA 0.759 55.738 54.840 0.233 0.000 0.876 751 L CB 1.217 43.473 42.059 0.329 0.000 1.216 751 L HN 0.815 nan 8.230 nan 0.000 0.415 752 G N 4.452 113.288 108.800 0.060 0.000 2.591 752 G HA2 -0.428 3.540 3.960 0.013 0.000 0.298 752 G HA3 -0.428 3.540 3.960 0.013 0.000 0.298 752 G C 0.515 175.413 174.900 -0.003 0.000 1.195 752 G CA 0.609 45.724 45.100 0.024 0.000 0.989 752 G HN 1.237 nan 8.290 nan 0.000 0.551 753 N N 1.466 120.159 118.700 -0.012 0.000 2.370 753 N HA 0.131 4.879 4.740 0.013 0.000 0.198 753 N C 0.403 175.868 175.510 -0.076 0.000 1.156 753 N CA 0.841 53.865 53.050 -0.043 0.000 0.839 753 N CB 0.224 38.686 38.487 -0.041 0.000 0.989 753 N HN 0.745 nan 8.380 nan 0.000 0.468 754 K N 0.281 120.635 120.400 -0.077 0.000 2.203 754 K HA 0.523 4.851 4.320 0.013 0.000 0.251 754 K C -0.407 176.040 176.600 -0.257 0.000 0.944 754 K CA -0.639 55.490 56.287 -0.263 0.000 0.829 754 K CB 2.096 34.383 32.500 -0.356 0.000 1.125 754 K HN -0.018 nan 8.250 nan 0.000 0.430 755 R N 1.265 121.498 120.500 -0.446 0.000 2.673 755 R HA 0.424 4.772 4.340 0.013 0.000 0.281 755 R C -1.236 174.936 176.300 -0.214 0.000 0.991 755 R CA -0.862 55.154 56.100 -0.140 0.000 0.896 755 R CB 1.847 32.114 30.300 -0.055 0.000 1.201 755 R HN 0.541 nan 8.270 nan 0.000 0.457 756 W N 1.985 123.404 121.300 0.199 0.000 2.785 756 W HA 0.365 5.033 4.660 0.013 0.000 0.333 756 W C -0.518 176.112 176.519 0.186 0.000 1.062 756 W CA -0.588 56.827 57.345 0.117 0.000 1.233 756 W CB 2.380 31.899 29.460 0.098 0.000 1.413 756 W HN 0.419 nan 8.180 nan 0.000 0.489 757 Q N 2.387 122.336 119.800 0.248 0.000 2.310 757 Q HA 0.458 4.806 4.340 0.013 0.000 0.270 757 Q C -1.959 174.046 176.000 0.008 0.000 1.025 757 Q CA -0.453 55.501 55.803 0.251 0.000 0.772 757 Q CB 1.473 30.403 28.738 0.320 0.000 1.253 757 Q HN 0.323 nan 8.270 nan 0.000 0.450 758 F N 2.658 122.703 119.950 0.159 0.000 2.426 758 F HA 0.338 4.873 4.527 0.013 0.000 0.348 758 F C 0.476 176.313 175.800 0.062 0.000 1.124 758 F CA -0.919 57.142 58.000 0.102 0.000 1.008 758 F CB 1.371 40.435 39.000 0.106 0.000 1.139 758 F HN 0.499 nan 8.300 nan 0.000 0.452 759 N N 3.641 122.455 118.700 0.190 0.000 2.442 759 N HA 0.077 4.824 4.740 0.013 0.000 0.265 759 N C 0.858 176.390 175.510 0.037 0.000 1.138 759 N CA 0.036 53.143 53.050 0.095 0.000 0.956 759 N CB 0.729 39.279 38.487 0.105 0.000 1.067 759 N HN 0.699 nan 8.380 nan 0.000 0.474 760 R N 2.311 122.757 120.500 -0.090 0.000 2.276 760 R HA -0.061 4.287 4.340 0.013 0.000 0.203 760 R C 1.631 177.872 176.300 -0.099 0.000 1.017 760 R CA 0.612 56.610 56.100 -0.170 0.000 1.010 760 R CB 0.213 30.280 30.300 -0.387 0.000 0.900 760 R HN 0.680 nan 8.270 nan 0.000 0.469 761 Q N 0.440 120.210 119.800 -0.050 0.000 2.204 761 Q HA -0.062 4.286 4.340 0.013 0.000 0.198 761 Q C 1.835 177.832 176.000 -0.004 0.000 0.946 761 Q CA 1.473 57.259 55.803 -0.028 0.000 0.859 761 Q CB 0.323 29.060 28.738 -0.001 0.000 0.946 761 Q HN 0.306 nan 8.270 nan 0.000 0.474 762 S N -1.788 113.936 115.700 0.039 0.000 2.439 762 S HA 0.194 4.671 4.470 0.013 0.000 0.224 762 S C 1.417 175.964 174.600 -0.089 0.000 1.029 762 S CA 0.672 58.920 58.200 0.079 0.000 0.946 762 S CB 0.514 63.877 63.200 0.273 0.000 0.797 762 S HN 0.608 nan 8.310 nan 0.000 0.504 763 G N 0.377 109.133 108.800 -0.073 0.000 2.141 763 G HA2 -0.198 3.770 3.960 0.013 0.000 0.242 763 G HA3 -0.198 3.770 3.960 0.013 0.000 0.242 763 G C -0.105 174.706 174.900 -0.150 0.000 0.982 763 G CA 0.174 45.192 45.100 -0.137 0.000 0.662 763 G HN 0.531 nan 8.290 nan 0.000 0.527 764 F N -1.179 118.951 119.950 0.300 0.000 2.579 764 F HA 0.675 5.210 4.527 0.013 0.000 0.324 764 F C 0.477 176.315 175.800 0.063 0.000 1.058 764 F CA -1.487 56.652 58.000 0.231 0.000 0.944 764 F CB 1.475 40.564 39.000 0.148 0.000 1.245 764 F HN 0.011 nan 8.300 nan 0.000 0.477 765 L N 2.020 123.299 121.223 0.092 0.000 2.565 765 L HA 0.142 4.490 4.340 0.013 0.000 0.275 765 L C 1.010 177.777 176.870 -0.172 0.000 1.137 765 L CA 0.465 55.025 54.840 -0.467 0.000 0.915 765 L CB 0.283 41.989 42.059 -0.588 0.000 1.232 765 L HN 0.707 nan 8.230 nan 0.000 0.473 766 S N 2.557 118.163 115.700 -0.157 0.000 2.486 766 S HA 0.224 4.702 4.470 0.013 0.000 0.220 766 S C 0.602 175.089 174.600 -0.189 0.000 1.011 766 S CA 0.026 58.174 58.200 -0.087 0.000 0.921 766 S CB 0.075 63.277 63.200 0.003 0.000 0.785 766 S HN 0.691 nan 8.310 nan 0.000 0.517 767 Q N -0.325 119.307 119.800 -0.281 0.000 2.578 767 Q HA 0.679 5.027 4.340 0.013 0.000 0.284 767 Q C -2.002 173.663 176.000 -0.559 0.000 0.960 767 Q CA -0.316 55.188 55.803 -0.498 0.000 0.809 767 Q CB 1.648 29.979 28.738 -0.679 0.000 1.462 767 Q HN 0.418 nan 8.270 nan 0.000 0.392 768 M N 1.443 120.588 119.600 -0.757 0.000 2.433 768 M HA 0.578 5.065 4.480 0.013 0.000 0.290 768 M C -1.586 174.303 176.300 -0.686 0.000 1.173 768 M CA -0.391 54.534 55.300 -0.625 0.000 0.905 768 M CB 2.190 34.394 32.600 -0.660 0.000 1.692 768 M HN 0.513 nan 8.290 nan 0.000 0.462 769 W N 3.633 124.689 121.300 -0.406 0.000 2.702 769 W HA 0.636 5.304 4.660 0.013 0.000 0.331 769 W C -1.332 174.981 176.519 -0.344 0.000 1.049 769 W CA -0.645 56.525 57.345 -0.292 0.000 1.230 769 W CB 1.621 30.948 29.460 -0.221 0.000 1.408 769 W HN 0.460 nan 8.180 nan 0.000 0.492 770 I N 2.730 123.276 120.570 -0.041 0.000 2.410 770 I HA 0.462 4.639 4.170 0.013 0.000 0.286 770 I C 0.790 176.885 176.117 -0.036 0.000 1.009 770 I CA 0.257 61.498 61.300 -0.099 0.000 1.111 770 I CB 1.300 39.219 38.000 -0.135 0.000 1.262 770 I HN 0.719 nan 8.210 nan 0.000 0.443 771 G N 5.622 114.398 108.800 -0.040 0.000 2.531 771 G HA2 -0.246 3.722 3.960 0.013 0.000 0.274 771 G HA3 -0.246 3.722 3.960 0.013 0.000 0.274 771 G C 0.161 175.070 174.900 0.014 0.000 1.159 771 G CA 0.253 45.337 45.100 -0.026 0.000 0.969 771 G HN 0.587 nan 8.290 nan 0.000 0.554 772 D N 0.938 121.360 120.400 0.036 0.000 2.501 772 D HA 0.285 4.933 4.640 0.013 0.000 0.224 772 D C 0.508 176.950 176.300 0.236 0.000 1.202 772 D CA 0.029 54.082 54.000 0.089 0.000 0.829 772 D CB 0.703 41.506 40.800 0.006 0.000 1.023 772 D HN 0.130 nan 8.370 nan 0.000 0.499 773 K N 1.381 121.871 120.400 0.149 0.000 2.227 773 K HA 0.233 4.561 4.320 0.013 0.000 0.280 773 K C 0.118 176.691 176.600 -0.045 0.000 1.041 773 K CA -0.355 55.974 56.287 0.070 0.000 0.905 773 K CB 1.023 33.513 32.500 -0.017 0.000 1.068 773 K HN -0.195 nan 8.250 nan 0.000 0.470 774 K N 2.492 122.778 120.400 -0.190 0.000 2.448 774 K HA -0.019 4.309 4.320 0.013 0.000 0.278 774 K C 0.712 177.104 176.600 -0.348 0.000 1.009 774 K CA 0.112 56.061 56.287 -0.564 0.000 0.995 774 K CB 0.606 32.834 32.500 -0.454 0.000 0.917 774 K HN 0.425 nan 8.250 nan 0.000 0.481 775 Q N 1.493 121.057 119.800 -0.393 0.000 2.317 775 Q HA 0.207 4.554 4.340 0.013 0.000 0.220 775 Q C 0.015 175.931 176.000 -0.140 0.000 0.873 775 Q CA 0.411 56.117 55.803 -0.161 0.000 0.936 775 Q CB 0.594 29.280 28.738 -0.086 0.000 1.105 775 Q HN 0.503 nan 8.270 nan 0.000 0.520 776 L N 0.407 121.479 121.223 -0.252 0.000 2.354 776 L HA 0.406 4.754 4.340 0.013 0.000 0.269 776 L C 0.854 177.590 176.870 -0.224 0.000 1.005 776 L CA -0.393 54.322 54.840 -0.208 0.000 0.819 776 L CB 1.815 43.740 42.059 -0.225 0.000 1.311 776 L HN -0.082 nan 8.230 nan 0.000 0.423 777 L N 0.414 121.501 121.223 -0.228 0.000 2.470 777 L HA 0.178 4.526 4.340 0.013 0.000 0.219 777 L C 0.566 177.316 176.870 -0.200 0.000 1.071 777 L CA 0.459 55.170 54.840 -0.215 0.000 0.850 777 L CB 0.570 42.484 42.059 -0.241 0.000 1.040 777 L HN 0.753 nan 8.230 nan 0.000 0.475 778 T N -3.054 111.354 114.554 -0.244 0.000 2.909 778 T HA 0.540 4.897 4.350 0.013 0.000 0.299 778 T C -2.879 171.740 174.700 -0.136 0.000 1.073 778 T CA -2.091 59.913 62.100 -0.159 0.000 0.999 778 T CB 2.216 70.998 68.868 -0.142 0.000 1.098 778 T HN -0.315 nan 8.240 nan 0.000 0.477 779 P HA 0.239 nan 4.420 nan 0.000 0.271 779 P C -0.530 176.722 177.300 -0.080 0.000 1.233 779 P CA -0.737 62.320 63.100 -0.071 0.000 0.789 779 P CB 0.305 31.993 31.700 -0.020 0.000 0.951 780 L N 2.826 124.035 121.223 -0.023 0.000 2.325 780 L HA 0.272 4.620 4.340 0.013 0.000 0.284 780 L C 0.155 176.960 176.870 -0.107 0.000 1.089 780 L CA 0.567 55.426 54.840 0.033 0.000 0.836 780 L CB -0.558 41.628 42.059 0.212 0.000 1.184 780 L HN 0.287 nan 8.230 nan 0.000 0.444 781 R N 2.761 123.110 120.500 -0.252 0.000 2.837 781 R HA 0.468 4.816 4.340 0.013 0.000 0.271 781 R C -1.004 175.156 176.300 -0.233 0.000 0.993 781 R CA -1.029 54.742 56.100 -0.549 0.000 0.931 781 R CB 1.301 31.165 30.300 -0.728 0.000 1.206 781 R HN 0.553 nan 8.270 nan 0.000 0.474 782 D N 1.067 121.395 120.400 -0.120 0.000 2.368 782 D HA 0.066 4.714 4.640 0.013 0.000 0.240 782 D C -0.449 175.487 176.300 -0.607 0.000 1.169 782 D CA 0.270 54.068 54.000 -0.336 0.000 0.906 782 D CB 0.670 41.201 40.800 -0.449 0.000 1.187 782 D HN 0.218 nan 8.370 nan 0.000 0.435 783 Q N 0.913 120.152 119.800 -0.936 0.000 2.271 783 Q HA 0.332 4.680 4.340 0.013 0.000 0.268 783 Q C -1.309 173.932 176.000 -1.265 0.000 1.021 783 Q CA -0.564 54.727 55.803 -0.855 0.000 0.802 783 Q CB 0.806 29.262 28.738 -0.470 0.000 1.282 783 Q HN 0.564 nan 8.270 nan 0.000 0.431 784 F N 0.787 120.330 119.950 -0.678 0.000 2.706 784 F HA 0.198 4.733 4.527 0.013 0.000 0.313 784 F C 0.668 176.009 175.800 -0.764 0.000 1.096 784 F CA -0.134 57.346 58.000 -0.867 0.000 1.219 784 F CB 1.562 39.693 39.000 -1.448 0.000 1.051 784 F HN 0.469 nan 8.300 nan 0.000 0.568 785 T N -0.866 113.363 114.554 -0.540 0.000 2.907 785 T HA 0.754 5.112 4.350 0.013 0.000 0.290 785 T C -0.558 173.877 174.700 -0.441 0.000 1.066 785 T CA -0.982 60.733 62.100 -0.641 0.000 1.012 785 T CB 2.674 71.081 68.868 -0.768 0.000 1.184 785 T HN 0.236 nan 8.240 nan 0.000 0.522 786 R N -0.061 120.213 120.500 -0.378 0.000 2.795 786 R HA 0.780 5.128 4.340 0.013 0.000 0.275 786 R C -0.778 175.567 176.300 0.075 0.000 0.981 786 R CA -1.220 54.800 56.100 -0.134 0.000 0.917 786 R CB 1.555 31.779 30.300 -0.127 0.000 1.202 786 R HN 0.815 nan 8.270 nan 0.000 0.469 787 A N 3.597 126.450 122.820 0.054 0.000 2.484 787 A HA 0.289 4.617 4.320 0.013 0.000 0.268 787 A C -1.986 175.661 177.584 0.104 0.000 1.114 787 A CA -1.357 50.714 52.037 0.056 0.000 0.780 787 A CB -0.424 18.553 19.000 -0.039 0.000 1.061 787 A HN 0.589 nan 8.150 nan 0.000 0.505 788 P HA 0.129 nan 4.420 nan 0.000 0.268 788 P C -0.253 177.160 177.300 0.189 0.000 1.205 788 P CA 0.250 63.513 63.100 0.271 0.000 0.771 788 P CB 0.504 32.408 31.700 0.339 0.000 0.858 789 L N 2.349 123.653 121.223 0.134 0.000 2.466 789 L HA 0.149 4.497 4.340 0.013 0.000 0.257 789 L C 1.870 178.753 176.870 0.022 0.000 1.189 789 L CA -0.422 54.430 54.840 0.020 0.000 0.813 789 L CB -0.062 41.941 42.059 -0.094 0.000 1.118 789 L HN 0.323 nan 8.230 nan 0.000 0.471 790 D N 0.444 120.796 120.400 -0.080 0.000 2.149 790 D HA -0.161 4.487 4.640 0.013 0.000 0.198 790 D C 1.517 177.741 176.300 -0.126 0.000 0.990 790 D CA 1.402 55.278 54.000 -0.206 0.000 0.839 790 D CB 0.059 40.657 40.800 -0.337 0.000 0.948 790 D HN 0.479 nan 8.370 nan 0.000 0.460 791 N N 0.941 119.586 118.700 -0.091 0.000 2.459 791 N HA -0.091 4.657 4.740 0.013 0.000 0.181 791 N C 1.056 176.583 175.510 0.028 0.000 1.046 791 N CA 0.577 53.603 53.050 -0.040 0.000 0.904 791 N CB -0.024 38.432 38.487 -0.053 0.000 0.964 791 N HN 0.246 nan 8.380 nan 0.000 0.444 792 D N 0.349 120.780 120.400 0.051 0.000 2.194 792 D HA 0.083 4.730 4.640 0.013 0.000 0.204 792 D C 1.948 178.293 176.300 0.074 0.000 0.964 792 D CA 0.358 54.419 54.000 0.102 0.000 0.846 792 D CB 0.263 41.199 40.800 0.225 0.000 0.962 792 D HN 0.299 nan 8.370 nan 0.000 0.490 793 I N 0.218 120.821 120.570 0.054 0.000 2.585 793 I HA 0.069 4.247 4.170 0.013 0.000 0.254 793 I C 1.800 177.942 176.117 0.041 0.000 1.129 793 I CA 0.536 61.858 61.300 0.036 0.000 1.455 793 I CB -0.293 37.704 38.000 -0.005 0.000 1.111 793 I HN 0.033 nan 8.210 nan 0.000 0.433 794 G N 1.566 110.406 108.800 0.067 0.000 2.596 794 G HA2 -0.368 3.600 3.960 0.013 0.000 0.295 794 G HA3 -0.368 3.600 3.960 0.013 0.000 0.295 794 G C 0.805 175.864 174.900 0.264 0.000 1.240 794 G CA 1.008 46.214 45.100 0.176 0.000 0.985 794 G HN 0.503 nan 8.290 nan 0.000 0.555 795 V N -1.604 118.408 119.914 0.165 0.000 3.623 795 V HA 0.528 4.656 4.120 0.013 0.000 0.271 795 V C 1.406 177.508 176.094 0.014 0.000 1.248 795 V CA 1.430 63.758 62.300 0.047 0.000 1.156 795 V CB -0.155 31.597 31.823 -0.117 0.000 0.870 795 V HN 1.245 nan 8.190 nan 0.000 0.453 796 S N 0.901 116.616 115.700 0.025 0.000 2.560 796 S HA 0.287 4.765 4.470 0.013 0.000 0.284 796 S C -0.131 174.476 174.600 0.011 0.000 1.327 796 S CA 0.060 58.262 58.200 0.002 0.000 1.055 796 S CB 0.413 63.612 63.200 -0.002 0.000 0.868 796 S HN 0.820 nan 8.310 nan 0.000 0.506 797 E N 1.429 121.630 120.200 0.002 0.000 2.367 797 E HA 0.617 4.975 4.350 0.013 0.000 0.273 797 E C 0.542 177.148 176.600 0.010 0.000 0.903 797 E CA -0.349 56.057 56.400 0.010 0.000 0.764 797 E CB 1.518 31.220 29.700 0.003 0.000 1.252 797 E HN 0.606 nan 8.360 nan 0.000 0.446 798 A N 1.030 123.862 122.820 0.021 0.000 1.892 798 A HA -0.221 4.107 4.320 0.013 0.000 0.218 798 A C 2.071 179.663 177.584 0.012 0.000 1.188 798 A CA 2.588 54.637 52.037 0.020 0.000 0.631 798 A CB -1.137 17.881 19.000 0.029 0.000 0.822 798 A HN 0.699 nan 8.150 nan 0.000 0.447 799 T N -2.709 111.851 114.554 0.011 0.000 3.007 799 T HA -0.072 4.286 4.350 0.013 0.000 0.270 799 T C 0.893 175.589 174.700 -0.007 0.000 1.107 799 T CA 1.383 63.485 62.100 0.004 0.000 1.118 799 T CB -0.167 68.704 68.868 0.006 0.000 0.889 799 T HN 0.457 nan 8.240 nan 0.000 0.506 800 R N 0.520 121.013 120.500 -0.012 0.000 3.179 800 R HA 0.304 4.652 4.340 0.013 0.000 0.231 800 R C -1.426 174.860 176.300 -0.024 0.000 1.796 800 R CA -0.682 55.404 56.100 -0.023 0.000 1.233 800 R CB 0.068 30.346 30.300 -0.036 0.000 1.545 800 R HN 0.164 nan 8.270 nan 0.000 0.552 801 I N 2.203 122.761 120.570 -0.020 0.000 2.648 801 I HA 0.015 4.192 4.170 0.013 0.000 0.284 801 I C 0.382 176.478 176.117 -0.034 0.000 1.153 801 I CA 0.063 61.350 61.300 -0.021 0.000 1.426 801 I CB 0.793 38.784 38.000 -0.016 0.000 1.381 801 I HN 0.510 nan 8.210 nan 0.000 0.571 802 D N 8.978 129.355 120.400 -0.039 0.000 2.454 802 D HA 0.299 4.947 4.640 0.013 0.000 0.225 802 D C -1.791 174.465 176.300 -0.073 0.000 1.081 802 D CA -2.193 51.774 54.000 -0.054 0.000 0.864 802 D CB 1.572 42.342 40.800 -0.050 0.000 1.040 802 D HN 0.199 nan 8.370 nan 0.000 0.517 803 P HA -0.088 nan 4.420 nan 0.000 0.230 803 P C 0.748 177.957 177.300 -0.152 0.000 1.158 803 P CA 0.568 63.610 63.100 -0.097 0.000 0.769 803 P CB 0.384 32.036 31.700 -0.079 0.000 0.807 804 N N 0.038 118.642 118.700 -0.160 0.000 2.422 804 N HA 0.063 4.811 4.740 0.013 0.000 0.181 804 N C 0.450 175.770 175.510 -0.316 0.000 1.080 804 N CA -0.009 52.902 53.050 -0.232 0.000 0.893 804 N CB -0.380 37.998 38.487 -0.182 0.000 0.973 804 N HN -0.054 nan 8.380 nan 0.000 0.456 805 A N -0.425 122.258 122.820 -0.229 0.000 2.462 805 A HA 0.084 4.412 4.320 0.013 0.000 0.243 805 A C 0.690 178.069 177.584 -0.342 0.000 1.076 805 A CA -0.346 51.554 52.037 -0.229 0.000 0.773 805 A CB -0.162 18.777 19.000 -0.101 0.000 1.010 805 A HN 0.539 nan 8.150 nan 0.000 0.493 806 W N 1.711 122.760 121.300 -0.418 0.000 2.318 806 W HA -0.201 4.466 4.660 0.013 0.000 0.313 806 W C 2.249 178.171 176.519 -0.994 0.000 1.221 806 W CA 1.835 58.664 57.345 -0.859 0.000 1.266 806 W CB -0.383 28.435 29.460 -1.070 0.000 1.150 806 W HN 0.567 nan 8.180 nan 0.000 0.496 807 V N 0.890 120.667 119.914 -0.227 0.000 2.332 807 V HA -0.289 3.839 4.120 0.013 0.000 0.248 807 V C 2.157 178.326 176.094 0.126 0.000 1.055 807 V CA 2.226 64.602 62.300 0.127 0.000 1.038 807 V CB -0.362 31.583 31.823 0.204 0.000 0.651 807 V HN 0.108 nan 8.190 nan 0.000 0.450 808 E N -0.131 120.055 120.200 -0.023 0.000 2.107 808 E HA -0.159 4.199 4.350 0.013 0.000 0.191 808 E C 2.342 178.909 176.600 -0.056 0.000 0.982 808 E CA 1.064 57.451 56.400 -0.022 0.000 0.809 808 E CB -0.303 29.361 29.700 -0.060 0.000 0.756 808 E HN 0.626 nan 8.360 nan 0.000 0.459 809 R N -0.147 120.243 120.500 -0.183 0.000 2.075 809 R HA -0.103 4.244 4.340 0.013 0.000 0.232 809 R C 2.301 178.542 176.300 -0.098 0.000 1.126 809 R CA 1.229 57.205 56.100 -0.206 0.000 0.963 809 R CB -0.176 29.890 30.300 -0.391 0.000 0.858 809 R HN 0.236 nan 8.270 nan 0.000 0.435 810 W N 1.586 122.867 121.300 -0.031 0.000 2.358 810 W HA -0.087 4.581 4.660 0.013 0.000 0.303 810 W C 1.928 178.414 176.519 -0.054 0.000 1.208 810 W CA 0.748 57.964 57.345 -0.216 0.000 1.274 810 W CB -0.675 28.803 29.460 0.031 0.000 1.138 810 W HN 0.104 nan 8.180 nan 0.000 0.515 811 K N 0.184 120.813 120.400 0.383 0.000 2.009 811 K HA -0.127 4.201 4.320 0.013 0.000 0.210 811 K C 2.286 178.949 176.600 0.104 0.000 1.049 811 K CA 2.021 58.480 56.287 0.286 0.000 0.929 811 K CB -0.688 31.918 32.500 0.177 0.000 0.714 811 K HN -0.012 nan 8.250 nan 0.000 0.440 812 A N 1.093 123.943 122.820 0.051 0.000 2.019 812 A HA -0.067 4.261 4.320 0.013 0.000 0.219 812 A C 2.204 179.786 177.584 -0.003 0.000 1.164 812 A CA 1.710 53.760 52.037 0.021 0.000 0.644 812 A CB -0.545 18.456 19.000 0.001 0.000 0.805 812 A HN 0.350 nan 8.150 nan 0.000 0.449 813 A N -1.888 120.909 122.820 -0.038 0.000 2.206 813 A HA 0.391 4.719 4.320 0.013 0.000 0.211 813 A C 1.832 179.352 177.584 -0.106 0.000 1.158 813 A CA 1.280 53.303 52.037 -0.023 0.000 0.761 813 A CB -0.819 18.142 19.000 -0.065 0.000 0.801 813 A HN 1.857 nan 8.150 nan 0.000 0.473 814 G N -1.693 106.939 108.800 -0.280 0.000 2.141 814 G HA2 -0.296 3.672 3.960 0.013 0.000 0.242 814 G HA3 -0.296 3.672 3.960 0.013 0.000 0.242 814 G C 0.592 175.492 174.900 -0.000 0.000 0.982 814 G CA 0.642 45.359 45.100 -0.638 0.000 0.662 814 G HN 0.740 nan 8.290 nan 0.000 0.527 815 H N -1.393 117.670 119.070 -0.011 0.000 2.387 815 H HA -0.102 4.462 4.556 0.013 0.000 0.299 815 H C 2.167 177.486 175.328 -0.015 0.000 1.099 815 H CA 1.602 57.662 56.048 0.021 0.000 1.315 815 H CB 0.064 29.769 29.762 -0.095 0.000 1.380 815 H HN 0.593 nan 8.280 nan 0.000 0.513 816 Y N 0.988 121.417 120.300 0.215 0.000 2.561 816 Y HA -0.094 4.464 4.550 0.013 0.000 0.291 816 Y C 2.249 178.234 175.900 0.141 0.000 1.141 816 Y CA 0.627 58.813 58.100 0.143 0.000 1.303 816 Y CB 0.383 38.911 38.460 0.113 0.000 1.015 816 Y HN 0.369 nan 8.280 nan 0.000 0.547 817 Q N -0.454 119.515 119.800 0.282 0.000 2.171 817 Q HA 0.380 4.728 4.340 0.013 0.000 0.218 817 Q C 0.344 176.532 176.000 0.314 0.000 0.822 817 Q CA -0.119 55.844 55.803 0.266 0.000 0.987 817 Q CB 0.370 29.251 28.738 0.238 0.000 1.144 817 Q HN 0.157 nan 8.270 nan 0.000 0.494 818 A N 1.891 124.918 122.820 0.346 0.000 2.498 818 A HA 0.163 4.491 4.320 0.013 0.000 0.239 818 A C -0.136 177.749 177.584 0.501 0.000 1.068 818 A CA 0.030 52.329 52.037 0.438 0.000 0.766 818 A CB 0.271 19.553 19.000 0.471 0.000 1.003 818 A HN 0.341 nan 8.150 nan 0.000 0.497 819 E N 1.101 121.519 120.200 0.362 0.000 2.179 819 E HA 0.478 4.836 4.350 0.013 0.000 0.275 819 E C -0.292 176.274 176.600 -0.056 0.000 0.945 819 E CA -0.618 55.916 56.400 0.224 0.000 0.792 819 E CB 1.897 31.685 29.700 0.146 0.000 1.125 819 E HN 0.741 nan 8.360 nan 0.000 0.397 820 A N 2.149 124.822 122.820 -0.245 0.000 2.492 820 A HA 0.451 4.779 4.320 0.013 0.000 0.254 820 A C -0.065 177.362 177.584 -0.262 0.000 1.091 820 A CA -0.079 51.520 52.037 -0.730 0.000 0.768 820 A CB 0.193 18.869 19.000 -0.539 0.000 1.028 820 A HN 0.605 nan 8.150 nan 0.000 0.498 821 A N 2.711 125.377 122.820 -0.257 0.000 2.318 821 A HA 0.598 4.926 4.320 0.013 0.000 0.324 821 A C -0.449 177.072 177.584 -0.105 0.000 1.170 821 A CA -0.571 51.404 52.037 -0.105 0.000 0.810 821 A CB 0.597 19.552 19.000 -0.075 0.000 1.198 821 A HN 1.184 nan 8.150 nan 0.000 0.484 822 L N 2.973 124.129 121.223 -0.112 0.000 2.319 822 L HA 0.383 4.731 4.340 0.013 0.000 0.280 822 L C 0.387 177.134 176.870 -0.206 0.000 1.099 822 L CA 0.245 54.924 54.840 -0.268 0.000 0.828 822 L CB 0.434 42.349 42.059 -0.241 0.000 1.150 822 L HN 0.766 nan 8.230 nan 0.000 0.442 823 L N 3.302 124.379 121.223 -0.243 0.000 2.537 823 L HA 0.351 4.699 4.340 0.013 0.000 0.224 823 L C 0.368 177.167 176.870 -0.118 0.000 1.065 823 L CA 0.005 54.767 54.840 -0.129 0.000 0.860 823 L CB 0.106 42.120 42.059 -0.075 0.000 1.086 823 L HN 0.717 nan 8.230 nan 0.000 0.482 824 Q N -0.278 119.421 119.800 -0.168 0.000 2.479 824 Q HA 0.357 4.705 4.340 0.013 0.000 0.276 824 Q C -2.083 173.857 176.000 -0.100 0.000 0.989 824 Q CA -0.556 55.190 55.803 -0.095 0.000 0.864 824 Q CB 3.064 31.770 28.738 -0.054 0.000 1.444 824 Q HN 0.054 nan 8.270 nan 0.000 0.388 825 C N 3.043 122.330 119.300 -0.021 0.000 2.833 825 C HA 0.794 5.262 4.460 0.013 0.000 0.383 825 C C -0.965 174.136 174.990 0.186 0.000 1.058 825 C CA 0.503 59.554 59.018 0.055 0.000 1.259 825 C CB 0.586 28.344 27.740 0.031 0.000 1.726 825 C HN 0.850 nan 8.230 nan 0.000 0.484 826 T N 2.484 117.103 114.554 0.108 0.000 2.901 826 T HA 0.919 5.277 4.350 0.013 0.000 0.293 826 T C -0.541 173.955 174.700 -0.341 0.000 1.084 826 T CA -0.267 61.844 62.100 0.017 0.000 1.008 826 T CB 1.920 70.769 68.868 -0.033 0.000 1.170 826 T HN 1.795 nan 8.240 nan 0.000 0.509 827 A N 1.172 123.583 122.820 -0.682 0.000 2.393 827 A HA 0.774 5.102 4.320 0.013 0.000 0.306 827 A C -1.299 176.004 177.584 -0.470 0.000 1.050 827 A CA -0.726 50.783 52.037 -0.880 0.000 0.724 827 A CB 1.305 19.271 19.000 -1.723 0.000 1.248 827 A HN 0.880 nan 8.150 nan 0.000 0.424 828 D N 0.822 121.019 120.400 -0.338 0.000 2.756 828 D HA 0.446 5.094 4.640 0.013 0.000 0.226 828 D C -1.082 175.108 176.300 -0.184 0.000 1.186 828 D CA -0.081 53.792 54.000 -0.212 0.000 0.845 828 D CB 2.427 43.137 40.800 -0.150 0.000 1.610 828 D HN 0.400 nan 8.370 nan 0.000 0.465 829 T N 1.894 116.362 114.554 -0.142 0.000 2.749 829 T HA 0.442 4.800 4.350 0.013 0.000 0.287 829 T C 0.650 175.296 174.700 -0.090 0.000 0.970 829 T CA -0.416 61.614 62.100 -0.118 0.000 0.980 829 T CB 0.785 69.586 68.868 -0.112 0.000 0.924 829 T HN 0.101 nan 8.240 nan 0.000 0.456 830 L N 1.589 122.764 121.223 -0.080 0.000 2.578 830 L HA 0.583 4.931 4.340 0.013 0.000 0.259 830 L C 2.130 178.972 176.870 -0.047 0.000 1.082 830 L CA -1.139 53.665 54.840 -0.060 0.000 0.843 830 L CB 0.031 42.057 42.059 -0.056 0.000 1.535 830 L HN 0.675 nan 8.230 nan 0.000 0.510 831 A N 0.626 123.424 122.820 -0.037 0.000 1.873 831 A HA -0.189 4.139 4.320 0.013 0.000 0.218 831 A C 1.116 178.686 177.584 -0.023 0.000 1.193 831 A CA 2.234 54.255 52.037 -0.028 0.000 0.629 831 A CB -0.531 18.456 19.000 -0.023 0.000 0.826 831 A HN 0.906 nan 8.150 nan 0.000 0.447 832 D N -2.464 117.921 120.400 -0.025 0.000 2.620 832 D HA 0.559 5.207 4.640 0.013 0.000 0.260 832 D C -0.089 176.197 176.300 -0.024 0.000 1.367 832 D CA 0.667 54.656 54.000 -0.018 0.000 0.805 832 D CB -0.154 40.633 40.800 -0.021 0.000 1.096 832 D HN 0.528 nan 8.370 nan 0.000 0.488 833 A N -0.480 122.316 122.820 -0.039 0.000 2.586 833 A HA 0.617 4.944 4.320 0.013 0.000 0.290 833 A C -1.692 175.842 177.584 -0.084 0.000 1.086 833 A CA -0.693 51.307 52.037 -0.062 0.000 0.665 833 A CB 1.679 20.641 19.000 -0.063 0.000 1.279 833 A HN 0.000 nan 8.150 nan 0.000 0.423 834 V N 0.778 120.621 119.914 -0.119 0.000 2.513 834 V HA 0.637 4.765 4.120 0.013 0.000 0.299 834 V C -0.853 175.135 176.094 -0.177 0.000 1.035 834 V CA -0.460 61.749 62.300 -0.151 0.000 0.889 834 V CB 1.415 33.145 31.823 -0.154 0.000 0.988 834 V HN 0.883 nan 8.190 nan 0.000 0.440 835 L N 6.331 127.440 121.223 -0.190 0.000 2.333 835 L HA 0.667 5.015 4.340 0.013 0.000 0.280 835 L C -0.876 175.842 176.870 -0.253 0.000 1.004 835 L CA 0.049 54.785 54.840 -0.174 0.000 0.820 835 L CB 1.295 43.283 42.059 -0.119 0.000 1.247 835 L HN 0.414 nan 8.230 nan 0.000 0.416 836 I N 3.928 124.342 120.570 -0.259 0.000 2.441 836 I HA 0.459 4.637 4.170 0.013 0.000 0.295 836 I C -0.203 175.868 176.117 -0.077 0.000 0.994 836 I CA -0.298 60.792 61.300 -0.349 0.000 1.144 836 I CB 1.764 39.287 38.000 -0.795 0.000 1.314 836 I HN 0.580 nan 8.210 nan 0.000 0.445 837 T N 4.330 118.847 114.554 -0.062 0.000 2.824 837 T HA 0.633 4.991 4.350 0.013 0.000 0.282 837 T C 0.112 174.848 174.700 0.061 0.000 0.993 837 T CA -0.557 61.562 62.100 0.030 0.000 0.967 837 T CB 1.881 70.742 68.868 -0.012 0.000 0.960 837 T HN 0.789 nan 8.240 nan 0.000 0.441 838 T N -0.536 114.095 114.554 0.127 0.000 2.901 838 T HA 0.891 5.249 4.350 0.013 0.000 0.293 838 T C -1.160 173.575 174.700 0.060 0.000 1.084 838 T CA -1.075 61.070 62.100 0.076 0.000 1.008 838 T CB 2.041 71.017 68.868 0.180 0.000 1.170 838 T HN 0.817 nan 8.240 nan 0.000 0.509 839 A N 1.315 124.088 122.820 -0.078 0.000 2.459 839 A HA 0.762 5.089 4.320 0.013 0.000 0.296 839 A C -1.484 175.967 177.584 -0.221 0.000 1.039 839 A CA -0.782 51.247 52.037 -0.012 0.000 0.698 839 A CB 0.924 19.930 19.000 0.011 0.000 1.261 839 A HN 1.016 nan 8.150 nan 0.000 0.405 840 H N -0.034 119.076 119.070 0.066 0.000 2.895 840 H HA 0.782 5.346 4.556 0.013 0.000 0.373 840 H C -0.069 175.246 175.328 -0.021 0.000 1.174 840 H CA 0.251 56.247 56.048 -0.086 0.000 1.144 840 H CB 2.168 31.773 29.762 -0.261 0.000 1.793 840 H HN 1.013 nan 8.280 nan 0.000 0.551 841 A N 1.784 124.589 122.820 -0.025 0.000 2.355 841 A HA 0.444 4.772 4.320 0.013 0.000 0.317 841 A C -1.353 176.184 177.584 -0.077 0.000 1.094 841 A CA -0.703 51.380 52.037 0.077 0.000 0.764 841 A CB 1.134 20.173 19.000 0.064 0.000 1.230 841 A HN 0.580 nan 8.150 nan 0.000 0.448 842 W N 2.010 123.419 121.300 0.181 0.000 2.376 842 W HA 0.440 5.108 4.660 0.013 0.000 0.312 842 W C -0.415 176.135 176.519 0.052 0.000 1.060 842 W CA -0.110 57.339 57.345 0.175 0.000 1.221 842 W CB 1.643 31.277 29.460 0.289 0.000 1.281 842 W HN 0.780 nan 8.180 nan 0.000 0.456 843 Q N 1.608 121.541 119.800 0.221 0.000 2.451 843 Q HA 0.434 4.782 4.340 0.013 0.000 0.281 843 Q C -0.935 175.200 176.000 0.225 0.000 1.099 843 Q CA -0.907 54.988 55.803 0.153 0.000 0.806 843 Q CB 3.560 32.345 28.738 0.078 0.000 1.419 843 Q HN 0.369 nan 8.270 nan 0.000 0.427 844 H N 1.556 120.667 119.070 0.068 0.000 3.181 844 H HA 0.088 4.652 4.556 0.013 0.000 0.331 844 H C -0.823 174.539 175.328 0.058 0.000 0.988 844 H CA -0.066 56.030 56.048 0.081 0.000 1.449 844 H CB 0.983 30.807 29.762 0.103 0.000 1.749 844 H HN 0.835 nan 8.280 nan 0.000 0.501 845 Q N 3.156 122.687 119.800 -0.448 0.000 2.434 845 Q HA -0.253 4.095 4.340 0.013 0.000 0.299 845 Q C 0.899 176.834 176.000 -0.109 0.000 1.286 845 Q CA 1.120 56.740 55.803 -0.305 0.000 0.872 845 Q CB -1.358 27.142 28.738 -0.396 0.000 1.193 845 Q HN 1.184 nan 8.270 nan 0.000 0.466 846 G N -0.403 108.364 108.800 -0.056 0.000 2.217 846 G HA2 -0.342 3.626 3.960 0.013 0.000 0.246 846 G HA3 -0.342 3.626 3.960 0.013 0.000 0.246 846 G C 0.048 174.953 174.900 0.008 0.000 0.990 846 G CA 0.436 45.526 45.100 -0.016 0.000 0.627 846 G HN 0.329 nan 8.290 nan 0.000 0.522 847 K N 1.666 122.080 120.400 0.024 0.000 2.183 847 K HA 0.646 4.974 4.320 0.013 0.000 0.274 847 K C -0.046 176.571 176.600 0.029 0.000 1.009 847 K CA -0.052 56.254 56.287 0.033 0.000 0.888 847 K CB 0.932 33.465 32.500 0.056 0.000 1.078 847 K HN -0.002 nan 8.250 nan 0.000 0.459 848 T N 6.062 120.622 114.554 0.011 0.000 2.729 848 T HA 0.236 4.594 4.350 0.013 0.000 0.296 848 T C 0.992 175.644 174.700 -0.079 0.000 0.928 848 T CA -0.397 61.705 62.100 0.005 0.000 1.045 848 T CB 0.374 69.259 68.868 0.029 0.000 0.902 848 T HN 0.555 nan 8.240 nan 0.000 0.500 849 L N 2.613 123.712 121.223 -0.207 0.000 2.221 849 L HA 0.379 4.727 4.340 0.013 0.000 0.202 849 L C -0.135 176.256 176.870 -0.799 0.000 1.074 849 L CA 0.755 55.206 54.840 -0.649 0.000 0.795 849 L CB 0.097 41.413 42.059 -1.238 0.000 0.960 849 L HN 0.521 nan 8.230 nan 0.000 0.458 850 F N -1.106 118.806 119.950 -0.063 0.000 2.619 850 F HA 0.558 5.093 4.527 0.013 0.000 0.308 850 F C -0.554 175.336 175.800 0.151 0.000 1.097 850 F CA -0.806 57.094 58.000 -0.167 0.000 0.953 850 F CB 1.968 40.456 39.000 -0.853 0.000 1.287 850 F HN -0.338 nan 8.300 nan 0.000 0.446 851 I N 1.492 122.277 120.570 0.359 0.000 2.498 851 I HA 0.409 4.587 4.170 0.013 0.000 0.290 851 I C -0.789 175.599 176.117 0.453 0.000 1.032 851 I CA -0.622 60.919 61.300 0.402 0.000 1.073 851 I CB 2.259 40.406 38.000 0.245 0.000 1.251 851 I HN 0.544 nan 8.210 nan 0.000 0.426 852 S N 6.706 122.769 115.700 0.604 0.000 2.530 852 S HA 0.570 5.048 4.470 0.013 0.000 0.322 852 S C -0.718 174.123 174.600 0.402 0.000 1.085 852 S CA -0.684 57.847 58.200 0.551 0.000 1.096 852 S CB 0.617 64.274 63.200 0.761 0.000 0.988 852 S HN 0.558 nan 8.310 nan 0.000 0.466 853 R N 3.580 124.239 120.500 0.264 0.000 2.437 853 R HA 0.582 4.930 4.340 0.013 0.000 0.310 853 R C -0.683 175.691 176.300 0.122 0.000 0.955 853 R CA -0.773 55.436 56.100 0.182 0.000 0.851 853 R CB 1.874 32.255 30.300 0.134 0.000 1.161 853 R HN 0.561 nan 8.270 nan 0.000 0.446 854 K N 0.625 121.092 120.400 0.112 0.000 2.466 854 K HA 0.503 4.831 4.320 0.013 0.000 0.260 854 K C -0.816 175.774 176.600 -0.017 0.000 1.011 854 K CA -0.915 55.367 56.287 -0.009 0.000 0.871 854 K CB 2.540 35.008 32.500 -0.053 0.000 1.404 854 K HN 0.641 nan 8.250 nan 0.000 0.450 855 T N -1.531 112.939 114.554 -0.140 0.000 2.909 855 T HA 0.578 4.936 4.350 0.013 0.000 0.299 855 T C -1.381 173.205 174.700 -0.189 0.000 1.073 855 T CA -0.775 61.292 62.100 -0.055 0.000 0.999 855 T CB 0.601 69.456 68.868 -0.022 0.000 1.098 855 T HN 0.392 nan 8.240 nan 0.000 0.477 856 Y N 0.558 120.837 120.300 -0.035 0.000 2.338 856 Y HA 0.635 5.193 4.550 0.013 0.000 0.333 856 Y C 0.389 176.228 175.900 -0.101 0.000 0.968 856 Y CA -1.120 56.974 58.100 -0.009 0.000 1.123 856 Y CB 1.908 40.402 38.460 0.056 0.000 1.165 856 Y HN 0.671 nan 8.280 nan 0.000 0.452 857 R N 4.484 125.019 120.500 0.058 0.000 2.337 857 R HA 0.630 4.978 4.340 0.013 0.000 0.319 857 R C -1.549 174.701 176.300 -0.083 0.000 0.954 857 R CA -0.394 55.687 56.100 -0.032 0.000 0.840 857 R CB 0.591 30.880 30.300 -0.020 0.000 1.164 857 R HN 0.788 nan 8.270 nan 0.000 0.472 858 I N 5.071 125.530 120.570 -0.186 0.000 2.339 858 I HA 0.182 4.360 4.170 0.013 0.000 0.290 858 I C -0.166 175.826 176.117 -0.207 0.000 0.994 858 I CA -0.724 60.382 61.300 -0.323 0.000 1.191 858 I CB 1.442 39.048 38.000 -0.656 0.000 1.343 858 I HN 0.690 nan 8.210 nan 0.000 0.458 859 D N 4.275 124.599 120.400 -0.127 0.000 2.487 859 D HA 0.244 4.892 4.640 0.013 0.000 0.262 859 D C 1.260 177.551 176.300 -0.016 0.000 1.130 859 D CA -0.728 53.239 54.000 -0.057 0.000 1.038 859 D CB 0.881 41.669 40.800 -0.020 0.000 1.142 859 D HN 0.479 nan 8.370 nan 0.000 0.575 860 G N -1.371 107.434 108.800 0.008 0.000 2.586 860 G HA2 -0.158 3.810 3.960 0.013 0.000 0.215 860 G HA3 -0.158 3.810 3.960 0.013 0.000 0.215 860 G C 1.124 176.068 174.900 0.074 0.000 1.128 860 G CA 0.971 46.097 45.100 0.042 0.000 0.774 860 G HN 0.533 nan 8.290 nan 0.000 0.543 861 S N -1.192 114.549 115.700 0.068 0.000 2.558 861 S HA 0.371 4.849 4.470 0.013 0.000 0.217 861 S C 1.815 176.493 174.600 0.130 0.000 0.975 861 S CA 0.923 59.181 58.200 0.098 0.000 0.912 861 S CB 0.112 63.362 63.200 0.083 0.000 0.776 861 S HN 1.399 nan 8.310 nan 0.000 0.526 862 G N 0.678 109.562 108.800 0.140 0.000 2.157 862 G HA2 -0.207 3.761 3.960 0.013 0.000 0.239 862 G HA3 -0.207 3.761 3.960 0.013 0.000 0.239 862 G C -0.203 174.852 174.900 0.258 0.000 0.982 862 G CA -0.038 45.217 45.100 0.258 0.000 0.650 862 G HN 0.594 nan 8.290 nan 0.000 0.527 863 Q N -0.383 119.503 119.800 0.144 0.000 2.227 863 Q HA 0.645 4.993 4.340 0.013 0.000 0.245 863 Q C 0.128 176.176 176.000 0.079 0.000 0.926 863 Q CA -0.327 55.569 55.803 0.155 0.000 0.895 863 Q CB 1.687 30.500 28.738 0.125 0.000 1.230 863 Q HN 0.441 nan 8.270 nan 0.000 0.450 864 M N 1.698 121.390 119.600 0.155 0.000 2.078 864 M HA 0.494 4.982 4.480 0.013 0.000 0.320 864 M C -1.479 174.934 176.300 0.188 0.000 0.969 864 M CA -0.489 54.869 55.300 0.097 0.000 0.929 864 M CB 1.134 33.807 32.600 0.122 0.000 1.504 864 M HN 0.707 nan 8.290 nan 0.000 0.419 865 A N 6.742 129.632 122.820 0.117 0.000 2.289 865 A HA 0.690 5.018 4.320 0.013 0.000 0.298 865 A C -0.772 176.858 177.584 0.077 0.000 1.208 865 A CA -0.566 51.538 52.037 0.112 0.000 0.845 865 A CB 0.157 19.199 19.000 0.071 0.000 1.125 865 A HN 0.924 nan 8.150 nan 0.000 0.517 866 I N 2.277 122.879 120.570 0.053 0.000 2.378 866 I HA 0.324 4.502 4.170 0.013 0.000 0.291 866 I C -0.165 175.852 176.117 -0.167 0.000 0.992 866 I CA -0.215 61.014 61.300 -0.119 0.000 1.154 866 I CB 2.211 40.153 38.000 -0.096 0.000 1.315 866 I HN 0.502 nan 8.210 nan 0.000 0.448 867 T N 5.750 120.166 114.554 -0.229 0.000 2.779 867 T HA 0.552 4.909 4.350 0.013 0.000 0.280 867 T C -0.325 174.182 174.700 -0.322 0.000 0.987 867 T CA -0.460 61.508 62.100 -0.219 0.000 0.966 867 T CB 1.754 70.586 68.868 -0.059 0.000 0.933 867 T HN 0.202 nan 8.240 nan 0.000 0.442 868 V N 3.691 123.287 119.914 -0.531 0.000 2.588 868 V HA 0.482 4.610 4.120 0.013 0.000 0.304 868 V C -0.713 175.214 176.094 -0.280 0.000 1.042 868 V CA -0.912 61.111 62.300 -0.461 0.000 0.877 868 V CB 2.084 33.354 31.823 -0.921 0.000 0.996 868 V HN 0.848 nan 8.190 nan 0.000 0.425 869 D N 3.314 123.710 120.400 -0.006 0.000 2.549 869 D HA 0.514 5.162 4.640 0.013 0.000 0.251 869 D C -1.000 175.419 176.300 0.198 0.000 1.153 869 D CA -0.096 53.992 54.000 0.146 0.000 0.861 869 D CB 2.710 43.620 40.800 0.182 0.000 1.207 869 D HN 0.250 nan 8.370 nan 0.000 0.543 870 V N 2.358 122.427 119.914 0.258 0.000 2.581 870 V HA 0.308 4.435 4.120 0.013 0.000 0.303 870 V C 0.075 176.315 176.094 0.244 0.000 1.041 870 V CA -0.723 61.750 62.300 0.288 0.000 0.907 870 V CB 2.395 34.434 31.823 0.360 0.000 0.994 870 V HN 0.362 nan 8.190 nan 0.000 0.442 871 E N 2.522 122.852 120.200 0.218 0.000 2.171 871 E HA 0.625 4.982 4.350 0.013 0.000 0.271 871 E C -1.517 175.200 176.600 0.194 0.000 0.916 871 E CA -0.614 55.892 56.400 0.177 0.000 0.774 871 E CB 2.570 32.354 29.700 0.140 0.000 1.128 871 E HN 0.391 nan 8.360 nan 0.000 0.403 872 V N 2.136 122.168 119.914 0.196 0.000 2.444 872 V HA 0.375 4.503 4.120 0.013 0.000 0.294 872 V C 0.106 176.288 176.094 0.146 0.000 1.022 872 V CA -0.925 61.512 62.300 0.228 0.000 0.850 872 V CB 1.504 33.505 31.823 0.296 0.000 0.992 872 V HN 0.847 nan 8.190 nan 0.000 0.426 873 A N 3.543 126.402 122.820 0.066 0.000 2.567 873 A HA 0.255 4.582 4.320 0.013 0.000 0.240 873 A C 1.610 179.263 177.584 0.114 0.000 1.053 873 A CA 0.647 52.717 52.037 0.056 0.000 0.755 873 A CB 0.226 19.222 19.000 -0.006 0.000 0.978 873 A HN 1.354 nan 8.150 nan 0.000 0.507 874 S N 1.253 117.019 115.700 0.111 0.000 2.447 874 S HA -0.150 4.328 4.470 0.013 0.000 0.233 874 S C 0.950 175.636 174.600 0.144 0.000 1.006 874 S CA 1.261 59.550 58.200 0.147 0.000 0.957 874 S CB -0.259 63.005 63.200 0.107 0.000 0.773 874 S HN 0.834 nan 8.310 nan 0.000 0.507 875 D N 0.412 120.869 120.400 0.094 0.000 2.339 875 D HA 0.116 4.764 4.640 0.013 0.000 0.217 875 D C 0.533 176.872 176.300 0.065 0.000 1.050 875 D CA 0.074 54.114 54.000 0.066 0.000 0.856 875 D CB -0.384 40.441 40.800 0.042 0.000 0.922 875 D HN 0.313 nan 8.370 nan 0.000 0.518 876 T N 1.293 115.911 114.554 0.107 0.000 2.928 876 T HA 0.398 4.756 4.350 0.013 0.000 0.284 876 T C -2.606 172.208 174.700 0.191 0.000 1.008 876 T CA -1.955 60.233 62.100 0.146 0.000 1.057 876 T CB 1.301 70.269 68.868 0.167 0.000 1.018 876 T HN -0.141 nan 8.240 nan 0.000 0.493 877 P HA 0.100 nan 4.420 nan 0.000 0.266 877 P C -0.599 177.029 177.300 0.546 0.000 1.195 877 P CA 0.050 63.271 63.100 0.201 0.000 0.768 877 P CB -0.032 31.778 31.700 0.182 0.000 0.838 878 H N 3.473 122.925 119.070 0.638 0.000 3.034 878 H HA 0.065 4.629 4.556 0.013 0.000 0.324 878 H C -1.598 174.073 175.328 0.572 0.000 1.015 878 H CA -1.247 55.104 56.048 0.505 0.000 1.429 878 H CB -0.423 29.573 29.762 0.390 0.000 1.429 878 H HN 0.379 nan 8.280 nan 0.000 0.585 879 P HA 0.054 nan 4.420 nan 0.000 0.279 879 P C 0.108 177.284 177.300 -0.207 0.000 1.252 879 P CA -0.394 62.770 63.100 0.107 0.000 0.811 879 P CB 1.210 32.838 31.700 -0.121 0.000 1.035 880 A N 2.875 125.285 122.820 -0.685 0.000 1.933 880 A HA -0.104 4.224 4.320 0.013 0.000 0.218 880 A C 1.027 178.209 177.584 -0.670 0.000 1.175 880 A CA 1.379 52.980 52.037 -0.727 0.000 0.628 880 A CB -0.548 17.793 19.000 -1.098 0.000 0.814 880 A HN 0.743 nan 8.150 nan 0.000 0.444 881 R N -2.966 117.182 120.500 -0.586 0.000 2.733 881 R HA 0.758 5.106 4.340 0.013 0.000 0.272 881 R C -1.614 174.437 176.300 -0.415 0.000 1.029 881 R CA -0.815 54.968 56.100 -0.530 0.000 0.888 881 R CB 0.958 30.929 30.300 -0.547 0.000 1.251 881 R HN -0.001 nan 8.270 nan 0.000 0.464 882 I N 0.967 121.327 120.570 -0.349 0.000 2.517 882 I HA 0.625 4.803 4.170 0.013 0.000 0.280 882 I C -0.534 175.344 176.117 -0.398 0.000 1.061 882 I CA -0.326 60.794 61.300 -0.301 0.000 1.091 882 I CB 1.890 39.789 38.000 -0.168 0.000 1.205 882 I HN 0.960 nan 8.210 nan 0.000 0.459 883 G N 5.843 114.344 108.800 -0.498 0.000 2.634 883 G HA2 0.741 4.709 3.960 0.013 0.000 0.309 883 G HA3 0.741 4.709 3.960 0.013 0.000 0.309 883 G C -1.729 172.999 174.900 -0.286 0.000 1.299 883 G CA -0.571 44.275 45.100 -0.424 0.000 0.798 883 G HN 0.267 nan 8.290 nan 0.000 0.490 884 L N 0.744 121.854 121.223 -0.187 0.000 2.309 884 L HA 0.668 5.016 4.340 0.013 0.000 0.261 884 L C -0.669 176.105 176.870 -0.160 0.000 1.021 884 L CA -1.143 53.622 54.840 -0.125 0.000 0.823 884 L CB 2.472 44.538 42.059 0.013 0.000 1.366 884 L HN 0.802 nan 8.230 nan 0.000 0.423 885 N N 0.565 119.199 118.700 -0.110 0.000 2.591 885 N HA 0.666 5.414 4.740 0.013 0.000 0.263 885 N C -1.357 174.162 175.510 0.014 0.000 1.308 885 N CA -0.518 52.499 53.050 -0.055 0.000 0.837 885 N CB 2.381 40.844 38.487 -0.039 0.000 1.548 885 N HN 0.841 nan 8.380 nan 0.000 0.493 886 C N -1.042 118.284 119.300 0.043 0.000 3.307 886 C HA 0.568 5.036 4.460 0.013 0.000 0.333 886 C C -1.122 173.690 174.990 -0.297 0.000 1.291 886 C CA -0.849 58.139 59.018 -0.050 0.000 1.273 886 C CB 1.009 28.751 27.740 0.003 0.000 1.580 886 C HN 0.850 nan 8.230 nan 0.000 0.481 887 Q N 1.515 120.911 119.800 -0.674 0.000 2.368 887 Q HA 0.647 4.995 4.340 0.013 0.000 0.256 887 Q C -0.970 174.739 176.000 -0.486 0.000 0.980 887 Q CA -0.432 54.735 55.803 -1.061 0.000 0.887 887 Q CB 0.861 28.580 28.738 -1.699 0.000 1.221 887 Q HN 0.777 nan 8.270 nan 0.000 0.458 888 L N 2.608 123.650 121.223 -0.302 0.000 2.417 888 L HA 0.235 4.582 4.340 0.013 0.000 0.268 888 L C 1.213 178.019 176.870 -0.107 0.000 1.158 888 L CA -0.153 54.632 54.840 -0.092 0.000 0.819 888 L CB 0.792 42.903 42.059 0.087 0.000 1.112 888 L HN 0.828 nan 8.230 nan 0.000 0.458 889 A N 1.977 124.761 122.820 -0.060 0.000 1.968 889 A HA -0.108 4.220 4.320 0.013 0.000 0.217 889 A C 1.083 178.650 177.584 -0.028 0.000 1.169 889 A CA 0.646 52.639 52.037 -0.074 0.000 0.638 889 A CB -0.260 18.688 19.000 -0.087 0.000 0.812 889 A HN 0.786 nan 8.150 nan 0.000 0.446 890 Q N -0.163 119.656 119.800 0.032 0.000 2.299 890 Q HA 0.466 4.814 4.340 0.013 0.000 0.246 890 Q C -1.214 174.823 176.000 0.062 0.000 0.935 890 Q CA -0.007 55.809 55.803 0.022 0.000 0.887 890 Q CB 1.132 29.897 28.738 0.045 0.000 1.223 890 Q HN 0.104 nan 8.270 nan 0.000 0.439 891 V N 3.373 123.287 119.914 -0.000 0.000 2.407 891 V HA 0.794 4.921 4.120 0.013 0.000 0.291 891 V C -0.604 175.453 176.094 -0.062 0.000 1.018 891 V CA -0.319 62.011 62.300 0.049 0.000 0.842 891 V CB 0.935 32.773 31.823 0.026 0.000 0.996 891 V HN 0.906 nan 8.190 nan 0.000 0.426 892 A N 3.255 125.986 122.820 -0.148 0.000 2.354 892 A HA 0.723 5.051 4.320 0.013 0.000 0.321 892 A C 0.671 178.252 177.584 -0.005 0.000 1.125 892 A CA -0.518 51.368 52.037 -0.252 0.000 0.799 892 A CB 1.234 19.809 19.000 -0.709 0.000 1.293 892 A HN 0.804 nan 8.150 nan 0.000 0.452 893 E N 0.145 120.341 120.200 -0.007 0.000 2.152 893 E HA -0.060 4.297 4.350 0.013 0.000 0.192 893 E C 0.181 176.851 176.600 0.116 0.000 0.983 893 E CA 0.768 57.201 56.400 0.054 0.000 0.818 893 E CB 0.097 29.811 29.700 0.024 0.000 0.758 893 E HN 0.442 nan 8.360 nan 0.000 0.467 894 R N 0.186 120.765 120.500 0.131 0.000 2.888 894 R HA 0.548 4.896 4.340 0.013 0.000 0.266 894 R C -0.763 175.727 176.300 0.316 0.000 1.020 894 R CA -0.887 55.326 56.100 0.189 0.000 0.963 894 R CB 1.698 32.079 30.300 0.136 0.000 1.197 894 R HN -0.177 nan 8.270 nan 0.000 0.481 895 V N 1.745 121.854 119.914 0.325 0.000 2.483 895 V HA 0.362 4.490 4.120 0.013 0.000 0.297 895 V C -0.392 175.977 176.094 0.458 0.000 1.027 895 V CA -0.936 61.591 62.300 0.379 0.000 0.855 895 V CB 1.844 33.825 31.823 0.265 0.000 0.995 895 V HN 0.659 nan 8.190 nan 0.000 0.424 896 N N 4.679 123.623 118.700 0.406 0.000 2.354 896 N HA 0.528 5.276 4.740 0.013 0.000 0.287 896 N C -1.353 174.412 175.510 0.425 0.000 1.016 896 N CA -0.441 52.818 53.050 0.348 0.000 0.871 896 N CB 2.568 41.154 38.487 0.164 0.000 1.299 896 N HN 0.819 nan 8.380 nan 0.000 0.482 897 W N 3.225 124.556 121.300 0.052 0.000 3.107 897 W HA 0.589 5.257 4.660 0.013 0.000 0.331 897 W C -1.952 174.523 176.519 -0.073 0.000 1.204 897 W CA -1.162 56.185 57.345 0.004 0.000 1.184 897 W CB 0.763 30.249 29.460 0.042 0.000 1.421 897 W HN 0.216 nan 8.180 nan 0.000 0.544 898 L N 4.239 125.436 121.223 -0.042 0.000 2.277 898 L HA 0.910 5.258 4.340 0.013 0.000 0.284 898 L C 0.021 176.669 176.870 -0.370 0.000 1.028 898 L CA 0.329 54.947 54.840 -0.370 0.000 0.835 898 L CB 0.547 42.492 42.059 -0.190 0.000 1.215 898 L HN 0.989 nan 8.230 nan 0.000 0.425 899 G N 3.734 112.154 108.800 -0.633 0.000 2.336 899 G HA2 0.191 4.159 3.960 0.013 0.000 0.286 899 G HA3 0.191 4.159 3.960 0.013 0.000 0.286 899 G C -1.588 173.273 174.900 -0.064 0.000 1.269 899 G CA -1.073 43.854 45.100 -0.288 0.000 0.873 899 G HN 0.452 nan 8.290 nan 0.000 0.494 900 L N 1.044 122.387 121.223 0.199 0.000 2.416 900 L HA 0.568 4.915 4.340 0.013 0.000 0.272 900 L C 1.135 178.088 176.870 0.138 0.000 1.161 900 L CA 0.927 55.869 54.840 0.169 0.000 0.845 900 L CB 0.462 42.578 42.059 0.094 0.000 1.119 900 L HN 1.208 nan 8.230 nan 0.000 0.464 901 G N 2.909 111.561 108.800 -0.248 0.000 2.348 901 G HA2 0.245 4.213 3.960 0.013 0.000 0.296 901 G HA3 0.245 4.213 3.960 0.013 0.000 0.296 901 G C -2.748 171.309 174.900 -1.406 0.000 1.258 901 G CA -0.254 44.365 45.100 -0.801 0.000 0.868 901 G HN 0.317 nan 8.290 nan 0.000 0.488 902 P HA 0.098 nan 4.420 nan 0.000 0.235 902 P C 0.422 177.532 177.300 -0.317 0.000 1.177 902 P CA 0.544 62.992 63.100 -1.087 0.000 0.785 902 P CB 0.491 31.679 31.700 -0.854 0.000 0.885 903 Q N 0.556 120.158 119.800 -0.330 0.000 2.318 903 Q HA 0.149 4.497 4.340 0.013 0.000 0.222 903 Q C 0.402 176.283 176.000 -0.199 0.000 1.003 903 Q CA -0.585 55.097 55.803 -0.201 0.000 0.936 903 Q CB 0.710 29.348 28.738 -0.166 0.000 1.204 903 Q HN 0.135 nan 8.270 nan 0.000 0.524 904 E N 1.299 121.386 120.200 -0.187 0.000 2.502 904 E HA -0.107 4.251 4.350 0.013 0.000 0.261 904 E C -1.133 175.369 176.600 -0.164 0.000 0.974 904 E CA 0.281 56.553 56.400 -0.212 0.000 0.936 904 E CB 0.265 29.904 29.700 -0.102 0.000 0.926 904 E HN 0.607 nan 8.360 nan 0.000 0.459 905 N N 2.650 121.174 118.700 -0.293 0.000 2.371 905 N HA 0.299 5.047 4.740 0.013 0.000 0.280 905 N C -1.878 173.393 175.510 -0.398 0.000 1.084 905 N CA -0.673 52.259 53.050 -0.197 0.000 0.892 905 N CB 0.722 39.122 38.487 -0.145 0.000 1.653 905 N HN 0.240 nan 8.380 nan 0.000 0.480 906 Y N 0.404 120.610 120.300 -0.156 0.000 2.598 906 Y HA 0.504 5.062 4.550 0.013 0.000 0.340 906 Y C -1.607 174.215 175.900 -0.129 0.000 1.038 906 Y CA -2.077 55.918 58.100 -0.176 0.000 1.100 906 Y CB 1.918 40.271 38.460 -0.178 0.000 1.281 906 Y HN 0.443 nan 8.280 nan 0.000 0.488 907 P HA -0.191 nan 4.420 nan 0.000 0.216 907 P C 0.393 177.564 177.300 -0.215 0.000 1.154 907 P CA 2.183 65.318 63.100 0.059 0.000 0.865 907 P CB 0.203 32.058 31.700 0.258 0.000 0.789 908 D N -2.515 117.530 120.400 -0.591 0.000 2.340 908 D HA 0.003 4.651 4.640 0.013 0.000 0.217 908 D C 0.785 176.927 176.300 -0.262 0.000 1.081 908 D CA 0.139 53.578 54.000 -0.935 0.000 0.842 908 D CB -0.237 39.782 40.800 -1.301 0.000 0.934 908 D HN 0.124 nan 8.370 nan 0.000 0.511 909 R N 1.059 121.507 120.500 -0.087 0.000 2.638 909 R HA 0.188 4.535 4.340 0.013 0.000 0.261 909 R C -0.533 175.796 176.300 0.048 0.000 1.515 909 R CA -0.149 55.967 56.100 0.027 0.000 1.623 909 R CB 0.095 30.420 30.300 0.040 0.000 1.347 909 R HN 0.098 nan 8.270 nan 0.000 0.705 910 L N -1.858 119.400 121.223 0.058 0.000 3.259 910 L HA 0.334 4.682 4.340 0.013 0.000 0.292 910 L C 1.361 178.282 176.870 0.086 0.000 1.219 910 L CA 0.217 55.088 54.840 0.052 0.000 1.035 910 L CB 0.032 42.112 42.059 0.034 0.000 1.424 910 L HN 0.080 nan 8.230 nan 0.000 0.603 911 T N -2.459 112.175 114.554 0.132 0.000 2.833 911 T HA -0.051 4.307 4.350 0.013 0.000 0.269 911 T C 1.822 176.541 174.700 0.032 0.000 1.054 911 T CA 1.422 63.618 62.100 0.160 0.000 1.135 911 T CB -0.433 68.594 68.868 0.265 0.000 0.869 911 T HN 0.403 nan 8.240 nan 0.000 0.466 912 A N 1.818 124.667 122.820 0.049 0.000 2.014 912 A HA 0.596 4.924 4.320 0.013 0.000 0.218 912 A C 1.676 179.328 177.584 0.112 0.000 1.163 912 A CA 0.643 52.672 52.037 -0.014 0.000 0.652 912 A CB -1.047 18.088 19.000 0.225 0.000 0.808 912 A HN 0.870 nan 8.150 nan 0.000 0.449 913 A N -1.158 121.677 122.820 0.026 0.000 2.445 913 A HA 0.434 4.762 4.320 0.013 0.000 0.242 913 A C 0.060 177.652 177.584 0.014 0.000 1.075 913 A CA 0.007 52.019 52.037 -0.043 0.000 0.777 913 A CB -0.147 18.819 19.000 -0.056 0.000 1.013 913 A HN 0.495 nan 8.150 nan 0.000 0.493 914 C N 0.552 119.854 119.300 0.003 0.000 2.561 914 C HA 0.562 5.030 4.460 0.013 0.000 0.319 914 C C -0.145 174.931 174.990 0.144 0.000 1.198 914 C CA -0.509 58.566 59.018 0.094 0.000 1.665 914 C CB 0.916 28.737 27.740 0.135 0.000 2.258 914 C HN 0.798 nan 8.230 nan 0.000 0.493 915 F N 3.513 123.276 119.950 -0.313 0.000 2.445 915 F HA 0.504 5.038 4.527 0.013 0.000 0.359 915 F C 0.316 175.770 175.800 -0.578 0.000 1.101 915 F CA 1.124 58.803 58.000 -0.535 0.000 1.177 915 F CB 0.052 38.161 39.000 -1.485 0.000 1.110 915 F HN 0.627 nan 8.300 nan 0.000 0.522 916 D N 3.278 123.085 120.400 -0.988 0.000 2.865 916 D HA 0.180 4.827 4.640 0.013 0.000 0.343 916 D C -1.685 173.729 176.300 -1.478 0.000 1.372 916 D CA -0.710 52.595 54.000 -1.158 0.000 0.862 916 D CB 1.451 41.448 40.800 -1.338 0.000 1.425 916 D HN 0.498 nan 8.370 nan 0.000 0.501 917 R N 0.644 120.383 120.500 -1.267 0.000 2.229 917 R HA 0.545 4.893 4.340 0.013 0.000 0.328 917 R C -1.397 174.152 176.300 -1.251 0.000 1.009 917 R CA -0.190 55.303 56.100 -1.011 0.000 0.864 917 R CB 0.251 30.211 30.300 -0.566 0.000 1.085 917 R HN 0.293 nan 8.270 nan 0.000 0.453 918 W N 2.395 123.180 121.300 -0.859 0.000 2.719 918 W HA 0.455 5.123 4.660 0.013 0.000 0.352 918 W C -0.519 175.645 176.519 -0.593 0.000 1.085 918 W CA -0.647 56.147 57.345 -0.919 0.000 1.187 918 W CB 1.701 30.120 29.460 -1.734 0.000 1.417 918 W HN 0.389 nan 8.180 nan 0.000 0.557 919 D N 2.303 122.674 120.400 -0.048 0.000 2.613 919 D HA 0.389 5.037 4.640 0.013 0.000 0.230 919 D C -1.535 174.868 176.300 0.171 0.000 1.365 919 D CA -0.112 53.952 54.000 0.107 0.000 0.976 919 D CB 0.976 41.792 40.800 0.027 0.000 1.415 919 D HN 0.359 nan 8.370 nan 0.000 0.589 920 L N 2.922 124.317 121.223 0.287 0.000 2.327 920 L HA 0.584 4.931 4.340 0.013 0.000 0.258 920 L C -2.283 174.702 176.870 0.192 0.000 1.024 920 L CA -2.137 52.839 54.840 0.226 0.000 0.825 920 L CB 2.661 44.898 42.059 0.297 0.000 1.386 920 L HN 0.172 nan 8.230 nan 0.000 0.417 921 P HA 0.030 nan 4.420 nan 0.000 0.272 921 P C 0.559 177.933 177.300 0.123 0.000 1.223 921 P CA -0.377 62.791 63.100 0.114 0.000 0.784 921 P CB 0.976 32.724 31.700 0.079 0.000 0.923 922 L N 3.437 124.738 121.223 0.130 0.000 2.051 922 L HA -0.263 4.084 4.340 0.013 0.000 0.214 922 L C 2.307 179.221 176.870 0.074 0.000 1.076 922 L CA 2.815 57.723 54.840 0.113 0.000 0.758 922 L CB -1.596 40.546 42.059 0.137 0.000 0.890 922 L HN 0.474 nan 8.230 nan 0.000 0.433 923 S N -1.864 113.882 115.700 0.077 0.000 2.419 923 S HA -0.177 4.301 4.470 0.013 0.000 0.233 923 S C 1.584 176.245 174.600 0.102 0.000 1.016 923 S CA 1.170 59.429 58.200 0.098 0.000 0.974 923 S CB -0.766 62.487 63.200 0.089 0.000 0.786 923 S HN 0.541 nan 8.310 nan 0.000 0.492 924 D N 0.972 121.412 120.400 0.066 0.000 2.363 924 D HA 0.117 4.765 4.640 0.013 0.000 0.220 924 D C 1.168 177.464 176.300 -0.006 0.000 0.994 924 D CA 0.544 54.561 54.000 0.029 0.000 0.890 924 D CB -0.106 40.719 40.800 0.041 0.000 0.906 924 D HN 0.378 nan 8.370 nan 0.000 0.530 925 M N -0.409 119.196 119.600 0.007 0.000 2.494 925 M HA 0.062 4.550 4.480 0.013 0.000 0.232 925 M C -0.068 176.221 176.300 -0.019 0.000 1.137 925 M CA -0.050 55.206 55.300 -0.074 0.000 1.012 925 M CB -0.757 31.790 32.600 -0.088 0.000 1.567 925 M HN -0.046 nan 8.290 nan 0.000 0.486 926 Y N -0.166 120.084 120.300 -0.084 0.000 2.409 926 Y HA 0.518 5.076 4.550 0.013 0.000 0.343 926 Y C -0.781 175.063 175.900 -0.093 0.000 0.973 926 Y CA -0.987 57.084 58.100 -0.048 0.000 1.064 926 Y CB 1.310 39.806 38.460 0.060 0.000 1.207 926 Y HN -0.140 nan 8.280 nan 0.000 0.452 927 T N 8.868 122.983 114.554 -0.732 0.000 2.758 927 T HA 0.308 4.666 4.350 0.013 0.000 0.285 927 T C -2.714 171.227 174.700 -1.266 0.000 0.981 927 T CA -1.517 60.056 62.100 -0.878 0.000 0.965 927 T CB 1.195 69.603 68.868 -0.768 0.000 0.927 927 T HN 0.459 nan 8.240 nan 0.000 0.448 928 P HA 0.168 nan 4.420 nan 0.000 0.220 928 P C -0.652 176.496 177.300 -0.253 0.000 1.806 928 P CA -0.493 62.173 63.100 -0.723 0.000 0.976 928 P CB -0.695 30.721 31.700 -0.474 0.000 1.952 929 Y N -0.193 120.039 120.300 -0.113 0.000 2.712 929 Y HA -0.110 4.448 4.550 0.013 0.000 0.333 929 Y C 2.292 178.238 175.900 0.078 0.000 1.225 929 Y CA -0.437 57.660 58.100 -0.004 0.000 1.499 929 Y CB 0.542 38.933 38.460 -0.116 0.000 1.288 929 Y HN -0.072 nan 8.280 nan 0.000 0.575 930 V N 3.600 123.733 119.914 0.365 0.000 2.324 930 V HA -0.314 3.814 4.120 0.013 0.000 0.250 930 V C 0.533 176.797 176.094 0.284 0.000 1.060 930 V CA 1.499 63.995 62.300 0.326 0.000 1.042 930 V CB -0.539 31.516 31.823 0.387 0.000 0.650 930 V HN 0.581 nan 8.190 nan 0.000 0.450 931 F N 2.987 122.979 119.950 0.070 0.000 2.350 931 F HA 0.507 5.042 4.527 0.013 0.000 0.365 931 F C -2.479 173.314 175.800 -0.011 0.000 1.122 931 F CA -3.430 54.550 58.000 -0.033 0.000 1.139 931 F CB 0.762 39.623 39.000 -0.231 0.000 1.220 931 F HN -0.003 nan 8.300 nan 0.000 0.499 932 P HA 0.230 nan 4.420 nan 0.000 0.268 932 P C -1.016 176.000 177.300 -0.475 0.000 1.205 932 P CA 0.139 63.001 63.100 -0.397 0.000 0.771 932 P CB 1.180 32.653 31.700 -0.378 0.000 0.858 933 S N 0.230 115.830 115.700 -0.165 0.000 2.727 933 S HA 0.463 4.941 4.470 0.013 0.000 0.278 933 S C -0.786 173.805 174.600 -0.016 0.000 1.186 933 S CA -0.963 57.172 58.200 -0.108 0.000 0.836 933 S CB 0.451 63.615 63.200 -0.060 0.000 1.186 933 S HN 0.332 nan 8.310 nan 0.000 0.499 934 E N 1.152 121.353 120.200 0.001 0.000 2.502 934 E HA 0.368 4.725 4.350 0.013 0.000 0.261 934 E C -0.213 176.441 176.600 0.089 0.000 0.974 934 E CA 0.751 57.181 56.400 0.049 0.000 0.936 934 E CB -0.220 29.530 29.700 0.085 0.000 0.926 934 E HN 0.800 nan 8.360 nan 0.000 0.459 935 N N 1.384 120.178 118.700 0.156 0.000 3.185 935 N HA 0.479 5.227 4.740 0.013 0.000 0.238 935 N C 0.159 175.735 175.510 0.110 0.000 1.451 935 N CA -0.579 52.608 53.050 0.228 0.000 0.888 935 N CB 0.893 39.514 38.487 0.223 0.000 1.413 935 N HN 0.740 nan 8.380 nan 0.000 0.511 936 G N -1.305 107.511 108.800 0.027 0.000 2.179 936 G HA2 -0.262 3.706 3.960 0.013 0.000 0.260 936 G HA3 -0.262 3.706 3.960 0.013 0.000 0.260 936 G C -0.199 174.427 174.900 -0.456 0.000 0.977 936 G CA 0.368 45.353 45.100 -0.191 0.000 0.641 936 G HN 0.712 nan 8.290 nan 0.000 0.533 937 L N 0.169 121.043 121.223 -0.582 0.000 2.499 937 L HA 0.649 4.996 4.340 0.013 0.000 0.281 937 L C 0.674 176.944 176.870 -1.000 0.000 1.234 937 L CA 0.491 54.746 54.840 -0.975 0.000 0.839 937 L CB 0.510 41.661 42.059 -1.512 0.000 1.104 937 L HN 0.276 nan 8.230 nan 0.000 0.500 938 R N 2.401 122.234 120.500 -1.112 0.000 2.575 938 R HA 0.516 4.864 4.340 0.013 0.000 0.293 938 R C -1.000 174.938 176.300 -0.604 0.000 0.983 938 R CA -0.287 55.295 56.100 -0.862 0.000 0.887 938 R CB 1.479 31.152 30.300 -1.046 0.000 1.184 938 R HN 0.687 nan 8.270 nan 0.000 0.445 939 C N 0.214 119.313 119.300 -0.336 0.000 2.451 939 C HA 0.728 5.196 4.460 0.013 0.000 0.391 939 C C 1.246 176.210 174.990 -0.044 0.000 1.286 939 C CA -0.016 58.886 59.018 -0.194 0.000 1.935 939 C CB 1.382 29.037 27.740 -0.141 0.000 2.188 939 C HN 1.026 nan 8.230 nan 0.000 0.523 940 G N 1.752 110.543 108.800 -0.014 0.000 2.341 940 G HA2 -0.189 3.779 3.960 0.013 0.000 0.292 940 G HA3 -0.189 3.779 3.960 0.013 0.000 0.292 940 G C -0.038 174.917 174.900 0.091 0.000 1.021 940 G CA 0.638 45.785 45.100 0.079 0.000 0.905 940 G HN 0.791 nan 8.290 nan 0.000 0.508 941 T N -0.070 114.408 114.554 -0.126 0.000 2.806 941 T HA 0.505 4.863 4.350 0.013 0.000 0.290 941 T C 1.372 175.768 174.700 -0.507 0.000 0.966 941 T CA -0.548 61.409 62.100 -0.239 0.000 1.060 941 T CB 1.232 69.976 68.868 -0.207 0.000 0.927 941 T HN 0.235 nan 8.240 nan 0.000 0.485 942 R N 1.564 121.972 120.500 -0.153 0.000 2.279 942 R HA 0.302 4.650 4.340 0.013 0.000 0.195 942 R C 0.508 176.846 176.300 0.063 0.000 0.905 942 R CA 0.195 56.282 56.100 -0.022 0.000 1.044 942 R CB 0.393 30.813 30.300 0.200 0.000 1.056 942 R HN 0.690 nan 8.270 nan 0.000 0.535 943 E N 0.450 120.688 120.200 0.064 0.000 2.335 943 E HA 0.338 4.696 4.350 0.013 0.000 0.280 943 E C -1.864 174.868 176.600 0.220 0.000 0.918 943 E CA -0.676 55.846 56.400 0.203 0.000 0.765 943 E CB 1.575 31.359 29.700 0.140 0.000 1.218 943 E HN -0.091 nan 8.360 nan 0.000 0.425 944 L N 4.013 125.430 121.223 0.323 0.000 2.385 944 L HA 0.590 4.938 4.340 0.013 0.000 0.273 944 L C -1.823 175.241 176.870 0.322 0.000 0.990 944 L CA -0.404 54.560 54.840 0.207 0.000 0.821 944 L CB 1.736 43.751 42.059 -0.073 0.000 1.279 944 L HN 0.464 nan 8.230 nan 0.000 0.412 945 N N 4.548 123.408 118.700 0.267 0.000 2.354 945 N HA 0.384 5.132 4.740 0.013 0.000 0.287 945 N C -1.958 173.774 175.510 0.370 0.000 1.016 945 N CA -0.265 52.937 53.050 0.253 0.000 0.871 945 N CB 2.124 40.705 38.487 0.155 0.000 1.299 945 N HN 0.581 nan 8.380 nan 0.000 0.482 946 Y N 1.313 121.749 120.300 0.226 0.000 2.307 946 Y HA 0.405 4.963 4.550 0.013 0.000 0.323 946 Y C 0.655 176.657 175.900 0.171 0.000 1.100 946 Y CA 0.050 58.285 58.100 0.227 0.000 1.140 946 Y CB 0.556 39.218 38.460 0.337 0.000 1.159 946 Y HN 0.859 nan 8.280 nan 0.000 0.436 947 G N 6.581 115.207 108.800 -0.289 0.000 2.591 947 G HA2 -0.300 3.668 3.960 0.013 0.000 0.298 947 G HA3 -0.300 3.668 3.960 0.013 0.000 0.298 947 G C -1.818 172.959 174.900 -0.205 0.000 1.195 947 G CA 0.167 45.087 45.100 -0.300 0.000 0.989 947 G HN 0.537 nan 8.290 nan 0.000 0.551 948 P HA 0.179 nan 4.420 nan 0.000 0.251 948 P C 0.266 177.333 177.300 -0.388 0.000 1.223 948 P CA 0.655 63.544 63.100 -0.351 0.000 0.796 948 P CB 0.038 31.476 31.700 -0.438 0.000 1.068 949 H N 0.375 119.360 119.070 -0.142 0.000 2.482 949 H HA 0.459 5.023 4.556 0.013 0.000 0.344 949 H C -0.054 174.978 175.328 -0.492 0.000 1.151 949 H CA -0.004 55.811 56.048 -0.388 0.000 1.300 949 H CB 1.542 30.785 29.762 -0.866 0.000 1.494 949 H HN 0.065 nan 8.280 nan 0.000 0.542 950 Q N 2.248 121.764 119.800 -0.474 0.000 2.305 950 Q HA 0.239 4.587 4.340 0.013 0.000 0.271 950 Q C -1.664 174.064 176.000 -0.452 0.000 1.046 950 Q CA -0.703 54.933 55.803 -0.279 0.000 0.798 950 Q CB 2.068 30.773 28.738 -0.056 0.000 1.286 950 Q HN 0.583 nan 8.270 nan 0.000 0.435 951 W N 3.972 125.208 121.300 -0.107 0.000 2.656 951 W HA 0.568 5.236 4.660 0.013 0.000 0.327 951 W C -0.259 176.321 176.519 0.102 0.000 1.041 951 W CA -0.752 56.495 57.345 -0.163 0.000 1.229 951 W CB 1.978 31.140 29.460 -0.497 0.000 1.397 951 W HN 0.527 nan 8.180 nan 0.000 0.479 952 R N 0.810 121.529 120.500 0.365 0.000 2.740 952 R HA 0.806 5.153 4.340 0.013 0.000 0.282 952 R C 0.237 176.818 176.300 0.467 0.000 0.969 952 R CA -0.430 55.917 56.100 0.413 0.000 0.918 952 R CB 2.373 32.826 30.300 0.255 0.000 1.175 952 R HN 0.735 nan 8.270 nan 0.000 0.464 953 G N 0.603 109.701 108.800 0.496 0.000 2.566 953 G HA2 0.041 4.008 3.960 0.013 0.000 0.138 953 G HA3 0.041 4.008 3.960 0.013 0.000 0.138 953 G C -1.768 173.311 174.900 0.299 0.000 1.133 953 G CA -0.344 45.018 45.100 0.437 0.000 1.037 953 G HN 0.494 nan 8.290 nan 0.000 0.491 954 D N -0.068 120.512 120.400 0.299 0.000 2.381 954 D HA 0.580 5.228 4.640 0.013 0.000 0.245 954 D C -0.713 175.632 176.300 0.076 0.000 1.297 954 D CA -0.479 53.569 54.000 0.081 0.000 0.931 954 D CB 0.164 41.029 40.800 0.108 0.000 1.334 954 D HN 0.568 nan 8.370 nan 0.000 0.535 955 F N -0.242 119.705 119.950 -0.005 0.000 2.726 955 F HA 0.730 5.265 4.527 0.013 0.000 0.324 955 F C -1.150 174.609 175.800 -0.068 0.000 1.140 955 F CA -1.011 56.921 58.000 -0.113 0.000 0.964 955 F CB 0.794 39.730 39.000 -0.107 0.000 1.399 955 F HN -0.146 nan 8.300 nan 0.000 0.491 956 Q N 1.549 121.421 119.800 0.119 0.000 2.345 956 Q HA 0.640 4.988 4.340 0.013 0.000 0.268 956 Q C -1.284 174.788 176.000 0.119 0.000 1.054 956 Q CA -0.507 55.287 55.803 -0.015 0.000 0.835 956 Q CB 2.716 31.342 28.738 -0.187 0.000 1.339 956 Q HN 0.862 nan 8.270 nan 0.000 0.447 957 F N -1.143 118.687 119.950 -0.200 0.000 2.711 957 F HA 0.757 5.292 4.527 0.013 0.000 0.313 957 F C -1.371 174.212 175.800 -0.361 0.000 1.141 957 F CA -1.140 56.708 58.000 -0.253 0.000 0.941 957 F CB 1.581 40.454 39.000 -0.212 0.000 1.349 957 F HN 0.566 nan 8.300 nan 0.000 0.464 958 N N 1.105 119.634 118.700 -0.285 0.000 2.357 958 N HA 0.737 5.485 4.740 0.013 0.000 0.284 958 N C -2.110 173.331 175.510 -0.115 0.000 1.236 958 N CA -0.747 52.104 53.050 -0.332 0.000 0.774 958 N CB 2.639 40.937 38.487 -0.315 0.000 1.534 958 N HN 1.129 nan 8.380 nan 0.000 0.478 959 I N 0.427 120.917 120.570 -0.133 0.000 2.649 959 I HA 0.645 4.823 4.170 0.013 0.000 0.289 959 I C -1.481 174.545 176.117 -0.152 0.000 1.222 959 I CA 0.075 61.272 61.300 -0.171 0.000 1.046 959 I CB 1.303 39.139 38.000 -0.274 0.000 1.272 959 I HN 1.066 nan 8.210 nan 0.000 0.425 960 S N 6.220 121.846 115.700 -0.124 0.000 2.655 960 S HA 0.507 4.985 4.470 0.013 0.000 0.266 960 S C -0.255 174.240 174.600 -0.174 0.000 1.149 960 S CA -0.976 57.139 58.200 -0.142 0.000 0.818 960 S CB 1.666 64.824 63.200 -0.069 0.000 1.130 960 S HN 0.621 nan 8.310 nan 0.000 0.476 961 R N -0.099 120.130 120.500 -0.453 0.000 2.335 961 R HA 0.266 4.614 4.340 0.013 0.000 0.223 961 R C -0.889 175.110 176.300 -0.501 0.000 0.940 961 R CA 0.317 56.128 56.100 -0.480 0.000 1.086 961 R CB -1.018 28.890 30.300 -0.652 0.000 1.073 961 R HN 0.663 nan 8.270 nan 0.000 0.504 962 Y N 0.070 120.355 120.300 -0.024 0.000 2.361 962 Y HA 0.198 4.756 4.550 0.013 0.000 0.337 962 Y C 0.596 176.292 175.900 -0.341 0.000 0.965 962 Y CA -1.139 56.862 58.100 -0.166 0.000 1.091 962 Y CB 1.523 39.811 38.460 -0.286 0.000 1.182 962 Y HN -0.095 nan 8.280 nan 0.000 0.450 963 S N 1.614 116.989 115.700 -0.543 0.000 2.593 963 S HA 0.047 4.525 4.470 0.013 0.000 0.269 963 S C 0.903 175.160 174.600 -0.573 0.000 1.334 963 S CA -0.782 56.726 58.200 -1.153 0.000 1.015 963 S CB 1.187 63.512 63.200 -1.459 0.000 0.912 963 S HN 0.722 nan 8.310 nan 0.000 0.541 964 Q N 0.815 120.292 119.800 -0.539 0.000 2.135 964 Q HA -0.223 4.125 4.340 0.013 0.000 0.204 964 Q C 2.185 178.032 176.000 -0.255 0.000 0.981 964 Q CA 1.936 57.562 55.803 -0.296 0.000 0.856 964 Q CB -0.530 28.066 28.738 -0.237 0.000 0.902 964 Q HN 0.965 nan 8.270 nan 0.000 0.425 965 Q N 0.491 120.104 119.800 -0.312 0.000 2.084 965 Q HA -0.212 4.136 4.340 0.013 0.000 0.202 965 Q C 2.123 178.004 176.000 -0.199 0.000 0.978 965 Q CA 1.484 57.164 55.803 -0.205 0.000 0.844 965 Q CB 0.038 28.668 28.738 -0.179 0.000 0.898 965 Q HN 0.425 nan 8.270 nan 0.000 0.426 966 Q N 0.088 119.738 119.800 -0.250 0.000 2.084 966 Q HA -0.166 4.181 4.340 0.013 0.000 0.202 966 Q C 2.178 178.027 176.000 -0.251 0.000 0.978 966 Q CA 1.324 56.985 55.803 -0.237 0.000 0.844 966 Q CB -0.085 28.494 28.738 -0.266 0.000 0.898 966 Q HN 0.472 nan 8.270 nan 0.000 0.426 967 L N -0.076 121.000 121.223 -0.244 0.000 2.079 967 L HA -0.209 4.139 4.340 0.013 0.000 0.210 967 L C 2.619 179.343 176.870 -0.243 0.000 1.081 967 L CA 1.110 55.802 54.840 -0.246 0.000 0.752 967 L CB -0.283 41.670 42.059 -0.176 0.000 0.896 967 L HN 0.377 nan 8.230 nan 0.000 0.433 968 M N -0.957 118.533 119.600 -0.184 0.000 2.319 968 M HA -0.155 4.333 4.480 0.013 0.000 0.265 968 M C 1.706 177.919 176.300 -0.145 0.000 1.068 968 M CA 1.494 56.704 55.300 -0.149 0.000 1.118 968 M CB 0.080 32.606 32.600 -0.123 0.000 1.395 968 M HN 0.198 nan 8.290 nan 0.000 0.435 969 E N -1.065 119.045 120.200 -0.150 0.000 2.474 969 E HA 0.032 4.390 4.350 0.013 0.000 0.194 969 E C -0.231 176.296 176.600 -0.122 0.000 1.041 969 E CA 0.214 56.547 56.400 -0.113 0.000 0.874 969 E CB 0.468 30.111 29.700 -0.095 0.000 0.914 969 E HN 0.263 nan 8.360 nan 0.000 0.498 970 T N 0.179 114.619 114.554 -0.190 0.000 2.794 970 T HA 0.107 4.465 4.350 0.013 0.000 0.280 970 T C 1.044 175.623 174.700 -0.201 0.000 0.987 970 T CA -0.489 61.499 62.100 -0.186 0.000 0.993 970 T CB 1.710 70.421 68.868 -0.262 0.000 0.939 970 T HN 0.011 nan 8.240 nan 0.000 0.449 971 S N 1.577 117.253 115.700 -0.039 0.000 2.501 971 S HA 0.091 4.568 4.470 0.013 0.000 0.220 971 S C 0.250 174.870 174.600 0.033 0.000 0.997 971 S CA 0.236 58.483 58.200 0.077 0.000 0.919 971 S CB -0.223 63.167 63.200 0.316 0.000 0.778 971 S HN 0.750 nan 8.310 nan 0.000 0.523 972 H N 0.487 119.540 119.070 -0.029 0.000 2.771 972 H HA 0.478 5.042 4.556 0.013 0.000 0.361 972 H C 0.940 176.222 175.328 -0.077 0.000 1.108 972 H CA -0.821 55.268 56.048 0.068 0.000 1.201 972 H CB 1.504 31.291 29.762 0.043 0.000 1.681 972 H HN 0.096 nan 8.280 nan 0.000 0.534 973 R N 1.929 122.519 120.500 0.149 0.000 2.105 973 R HA -0.187 4.161 4.340 0.013 0.000 0.239 973 R C 1.131 177.429 176.300 -0.003 0.000 1.135 973 R CA 1.996 58.121 56.100 0.042 0.000 0.967 973 R CB -0.478 29.889 30.300 0.110 0.000 0.861 973 R HN 0.778 nan 8.270 nan 0.000 0.442 974 H N 0.762 119.825 119.070 -0.011 0.000 2.559 974 H HA 0.052 4.616 4.556 0.013 0.000 0.273 974 H C 1.467 176.706 175.328 -0.147 0.000 1.000 974 H CA 0.645 56.649 56.048 -0.073 0.000 1.195 974 H CB -0.123 29.598 29.762 -0.068 0.000 1.368 974 H HN 0.312 nan 8.280 nan 0.000 0.592 975 L N 0.771 121.569 121.223 -0.708 0.000 2.592 975 L HA 0.215 4.562 4.340 0.013 0.000 0.227 975 L C 0.684 177.363 176.870 -0.318 0.000 1.127 975 L CA -0.130 54.377 54.840 -0.555 0.000 0.884 975 L CB 0.189 41.917 42.059 -0.550 0.000 1.065 975 L HN 0.072 nan 8.230 nan 0.000 0.457 976 L N 0.659 121.679 121.223 -0.337 0.000 2.439 976 L HA 0.142 4.490 4.340 0.013 0.000 0.269 976 L C 0.102 176.866 176.870 -0.176 0.000 1.179 976 L CA -0.095 54.488 54.840 -0.429 0.000 0.828 976 L CB 0.452 42.055 42.059 -0.760 0.000 1.106 976 L HN 0.204 nan 8.230 nan 0.000 0.467 977 H N 1.395 120.472 119.070 0.011 0.000 2.667 977 H HA 0.577 5.141 4.556 0.013 0.000 0.353 977 H C -0.744 174.714 175.328 0.217 0.000 1.072 977 H CA -1.241 54.866 56.048 0.098 0.000 1.214 977 H CB 1.246 31.019 29.762 0.019 0.000 1.600 977 H HN 0.679 nan 8.280 nan 0.000 0.527 978 A N 3.649 126.628 122.820 0.265 0.000 2.520 978 A HA 0.074 4.402 4.320 0.013 0.000 0.245 978 A C 0.405 178.057 177.584 0.114 0.000 1.072 978 A CA -0.144 51.904 52.037 0.018 0.000 0.761 978 A CB 0.035 18.982 19.000 -0.088 0.000 1.004 978 A HN 0.849 nan 8.150 nan 0.000 0.499 979 E N 0.708 120.968 120.200 0.101 0.000 2.322 979 E HA 0.228 4.586 4.350 0.013 0.000 0.257 979 E C 0.040 176.677 176.600 0.062 0.000 1.155 979 E CA -0.598 55.906 56.400 0.173 0.000 0.936 979 E CB 0.713 30.611 29.700 0.330 0.000 1.130 979 E HN 0.811 nan 8.360 nan 0.000 0.465 980 E N 0.132 120.357 120.200 0.042 0.000 2.398 980 E HA 0.231 4.589 4.350 0.013 0.000 0.263 980 E C 0.385 176.935 176.600 -0.082 0.000 1.046 980 E CA 0.495 56.882 56.400 -0.022 0.000 0.908 980 E CB 0.380 30.063 29.700 -0.029 0.000 0.963 980 E HN 0.653 nan 8.360 nan 0.000 0.431 981 G N 2.593 111.347 108.800 -0.078 0.000 2.601 981 G HA2 -0.238 3.730 3.960 0.013 0.000 0.252 981 G HA3 -0.238 3.730 3.960 0.013 0.000 0.252 981 G C -0.586 174.251 174.900 -0.104 0.000 1.294 981 G CA -0.071 44.969 45.100 -0.099 0.000 0.912 981 G HN 0.693 nan 8.290 nan 0.000 0.574 982 T N 0.078 114.552 114.554 -0.133 0.000 2.881 982 T HA 0.503 4.860 4.350 0.013 0.000 0.290 982 T C -0.842 173.721 174.700 -0.228 0.000 1.000 982 T CA -0.193 61.841 62.100 -0.111 0.000 0.978 982 T CB 1.436 70.323 68.868 0.033 0.000 0.997 982 T HN 0.570 nan 8.240 nan 0.000 0.443 983 W N 3.142 124.353 121.300 -0.149 0.000 2.322 983 W HA 0.608 5.276 4.660 0.013 0.000 0.307 983 W C -0.270 176.120 176.519 -0.214 0.000 1.220 983 W CA -0.673 56.581 57.345 -0.152 0.000 1.210 983 W CB 0.733 30.115 29.460 -0.130 0.000 1.223 983 W HN 0.388 nan 8.180 nan 0.000 0.511 984 L N 5.511 126.729 121.223 -0.008 0.000 2.333 984 L HA 0.531 4.879 4.340 0.013 0.000 0.280 984 L C -0.964 175.813 176.870 -0.155 0.000 1.004 984 L CA -0.445 54.273 54.840 -0.204 0.000 0.820 984 L CB 0.878 42.664 42.059 -0.455 0.000 1.247 984 L HN 0.315 nan 8.230 nan 0.000 0.416 985 N N 6.956 125.554 118.700 -0.171 0.000 2.443 985 N HA 0.488 5.236 4.740 0.013 0.000 0.269 985 N C -1.272 174.102 175.510 -0.226 0.000 0.985 985 N CA -0.252 52.695 53.050 -0.171 0.000 0.921 985 N CB 2.332 40.742 38.487 -0.127 0.000 1.195 985 N HN 0.557 nan 8.380 nan 0.000 0.492 986 I N 1.847 122.239 120.570 -0.297 0.000 2.410 986 I HA 0.224 4.402 4.170 0.013 0.000 0.286 986 I C -0.793 175.136 176.117 -0.313 0.000 1.009 986 I CA -0.600 60.491 61.300 -0.348 0.000 1.111 986 I CB 1.772 39.387 38.000 -0.643 0.000 1.262 986 I HN 0.172 nan 8.210 nan 0.000 0.443 987 D N 4.447 124.701 120.400 -0.243 0.000 2.192 987 D HA 0.304 4.952 4.640 0.013 0.000 0.246 987 D C 0.978 176.976 176.300 -0.504 0.000 1.042 987 D CA -0.189 53.599 54.000 -0.353 0.000 0.847 987 D CB 2.488 43.179 40.800 -0.182 0.000 1.186 987 D HN 0.696 nan 8.370 nan 0.000 0.461 988 G N 1.115 109.321 108.800 -0.991 0.000 2.408 988 G HA2 -0.004 3.964 3.960 0.013 0.000 0.215 988 G HA3 -0.004 3.964 3.960 0.013 0.000 0.215 988 G C 0.082 174.217 174.900 -1.274 0.000 1.156 988 G CA 0.522 44.922 45.100 -1.167 0.000 0.793 988 G HN 0.376 nan 8.290 nan 0.000 0.535 989 F N -2.011 117.740 119.950 -0.332 0.000 2.601 989 F HA 0.608 5.142 4.527 0.013 0.000 0.309 989 F C -0.548 175.141 175.800 -0.185 0.000 1.089 989 F CA -1.133 56.745 58.000 -0.204 0.000 0.940 989 F CB 2.222 41.010 39.000 -0.353 0.000 1.273 989 F HN 0.046 nan 8.300 nan 0.000 0.450 990 H N 1.856 120.923 119.070 -0.004 0.000 2.865 990 H HA 0.521 5.085 4.556 0.013 0.000 0.362 990 H C -0.916 174.433 175.328 0.036 0.000 1.114 990 H CA -0.857 55.167 56.048 -0.039 0.000 1.208 990 H CB 1.843 31.570 29.762 -0.058 0.000 1.727 990 H HN 0.770 nan 8.280 nan 0.000 0.534 991 M N 3.401 122.929 119.600 -0.119 0.000 2.240 991 M HA 0.307 4.795 4.480 0.013 0.000 0.333 991 M C 0.488 176.900 176.300 0.186 0.000 1.110 991 M CA 0.269 55.582 55.300 0.022 0.000 1.173 991 M CB 0.409 32.919 32.600 -0.149 0.000 1.458 991 M HN 0.833 nan 8.290 nan 0.000 0.458 992 G N 2.686 111.581 108.800 0.159 0.000 2.699 992 G HA2 0.282 4.250 3.960 0.013 0.000 0.246 992 G HA3 0.282 4.250 3.960 0.013 0.000 0.246 992 G C 0.588 175.482 174.900 -0.009 0.000 1.219 992 G CA -0.416 44.716 45.100 0.053 0.000 0.866 992 G HN 0.975 nan 8.290 nan 0.000 0.572 993 I N -1.660 118.856 120.570 -0.090 0.000 3.645 993 I HA 0.407 4.585 4.170 0.013 0.000 0.300 993 I C 1.193 177.250 176.117 -0.100 0.000 1.260 993 I CA 0.413 61.621 61.300 -0.154 0.000 1.365 993 I CB -0.589 37.218 38.000 -0.321 0.000 1.077 993 I HN 0.928 nan 8.210 nan 0.000 0.439 994 G N 1.587 110.352 108.800 -0.058 0.000 2.645 994 G HA2 0.028 3.995 3.960 0.013 0.000 0.246 994 G HA3 0.028 3.995 3.960 0.013 0.000 0.246 994 G C 0.554 175.452 174.900 -0.003 0.000 1.322 994 G CA 0.106 45.205 45.100 -0.002 0.000 0.898 994 G HN 1.356 nan 8.290 nan 0.000 0.573 995 G N -2.453 106.357 108.800 0.016 0.000 2.559 995 G HA2 -0.002 3.966 3.960 0.013 0.000 0.202 995 G HA3 -0.002 3.966 3.960 0.013 0.000 0.202 995 G C 0.667 175.619 174.900 0.085 0.000 0.992 995 G CA 0.925 46.043 45.100 0.029 0.000 0.764 995 G HN 0.966 nan 8.290 nan 0.000 0.525 996 D N 1.273 121.744 120.400 0.119 0.000 2.190 996 D HA 0.089 4.737 4.640 0.013 0.000 0.200 996 D C 1.044 177.369 176.300 0.043 0.000 0.992 996 D CA 2.075 56.209 54.000 0.223 0.000 0.854 996 D CB 0.127 41.066 40.800 0.231 0.000 0.936 996 D HN 0.822 nan 8.370 nan 0.000 0.462 997 D N -3.449 116.769 120.400 -0.303 0.000 2.643 997 D HA 0.359 5.007 4.640 0.013 0.000 0.283 997 D C -0.701 175.085 176.300 -0.856 0.000 1.242 997 D CA -0.732 52.649 54.000 -1.031 0.000 0.863 997 D CB 0.978 40.588 40.800 -1.985 0.000 1.382 997 D HN -0.312 nan 8.370 nan 0.000 0.444 998 S N -0.701 114.311 115.700 -1.146 0.000 2.664 998 S HA 0.234 4.712 4.470 0.013 0.000 0.245 998 S C -0.590 174.060 174.600 0.083 0.000 1.019 998 S CA -0.658 57.387 58.200 -0.258 0.000 0.996 998 S CB -0.433 62.845 63.200 0.129 0.000 0.878 998 S HN 0.631 nan 8.310 nan 0.000 0.493 999 W N 0.908 122.154 121.300 -0.091 0.000 2.055 999 W HA 0.518 5.185 4.660 0.012 0.000 0.293 999 W C -0.035 176.438 176.519 -0.077 0.000 0.886 999 W CA -0.490 56.808 57.345 -0.078 0.000 1.384 999 W CB -0.508 28.837 29.460 -0.191 0.000 1.068 999 W HN 0.152 nan 8.180 nan 0.000 0.513 1000 S N -0.960 114.638 115.700 -0.171 0.000 2.579 1000 S HA 0.671 5.149 4.470 0.013 0.000 0.272 1000 S C -3.111 171.426 174.600 -0.104 0.000 1.141 1000 S CA -1.705 56.437 58.200 -0.095 0.000 0.843 1000 S CB 1.955 65.117 63.200 -0.063 0.000 1.122 1000 S HN -0.245 nan 8.310 nan 0.000 0.468 1001 P HA 0.225 nan 4.420 nan 0.000 0.267 1001 P C 0.316 177.649 177.300 0.056 0.000 1.205 1001 P CA -0.107 62.998 63.100 0.010 0.000 0.765 1001 P CB 0.755 32.356 31.700 -0.165 0.000 0.828 1002 S N 0.362 116.136 115.700 0.124 0.000 2.787 1002 S HA 0.128 4.606 4.470 0.013 0.000 0.255 1002 S C 0.245 174.932 174.600 0.146 0.000 1.051 1002 S CA -0.290 57.961 58.200 0.085 0.000 1.124 1002 S CB -0.293 62.909 63.200 0.002 0.000 1.104 1002 S HN 0.112 nan 8.310 nan 0.000 0.623 1003 V N 2.998 123.047 119.914 0.226 0.000 2.479 1003 V HA 0.322 4.450 4.120 0.013 0.000 0.281 1003 V C 0.852 177.103 176.094 0.263 0.000 1.031 1003 V CA -0.164 62.262 62.300 0.210 0.000 1.038 1003 V CB 0.902 32.813 31.823 0.146 0.000 0.981 1003 V HN 0.516 nan 8.190 nan 0.000 0.478 1004 S N 4.000 119.865 115.700 0.275 0.000 2.568 1004 S HA 0.290 4.768 4.470 0.013 0.000 0.282 1004 S C 1.523 176.272 174.600 0.249 0.000 1.338 1004 S CA 0.039 58.395 58.200 0.260 0.000 1.045 1004 S CB 1.120 64.504 63.200 0.307 0.000 0.873 1004 S HN 0.990 nan 8.310 nan 0.000 0.516 1005 A N 3.491 126.415 122.820 0.172 0.000 1.948 1005 A HA -0.147 4.181 4.320 0.013 0.000 0.220 1005 A C 1.997 179.626 177.584 0.076 0.000 1.177 1005 A CA 1.835 53.962 52.037 0.150 0.000 0.636 1005 A CB -0.625 18.441 19.000 0.109 0.000 0.815 1005 A HN 0.954 nan 8.150 nan 0.000 0.449 1006 E N -0.928 119.255 120.200 -0.028 0.000 2.472 1006 E HA -0.112 4.246 4.350 0.013 0.000 0.200 1006 E C 0.720 177.115 176.600 -0.341 0.000 1.046 1006 E CA 0.711 56.985 56.400 -0.211 0.000 0.871 1006 E CB -0.420 29.063 29.700 -0.361 0.000 0.806 1006 E HN 0.688 nan 8.360 nan 0.000 0.533 1007 F N 1.101 121.109 119.950 0.097 0.000 2.653 1007 F HA 0.269 4.803 4.527 0.013 0.000 0.304 1007 F C 0.860 176.708 175.800 0.081 0.000 1.092 1007 F CA -0.474 57.584 58.000 0.097 0.000 1.279 1007 F CB 0.535 39.593 39.000 0.095 0.000 1.044 1007 F HN -0.186 nan 8.300 nan 0.000 0.564 1008 Q N 1.217 121.137 119.800 0.201 0.000 2.235 1008 Q HA 0.406 4.754 4.340 0.013 0.000 0.250 1008 Q C -0.245 175.800 176.000 0.075 0.000 0.909 1008 Q CA -0.510 55.390 55.803 0.163 0.000 0.910 1008 Q CB 1.908 30.838 28.738 0.320 0.000 1.223 1008 Q HN 0.237 nan 8.270 nan 0.000 0.432 1009 L N 2.532 123.786 121.223 0.051 0.000 2.399 1009 L HA 0.110 4.458 4.340 0.013 0.000 0.257 1009 L C 0.452 177.299 176.870 -0.038 0.000 1.236 1009 L CA -0.050 54.813 54.840 0.039 0.000 1.144 1009 L CB -0.298 41.678 42.059 -0.139 0.000 1.379 1009 L HN 0.698 nan 8.230 nan 0.000 0.414 1010 S N -1.101 114.477 115.700 -0.204 0.000 2.602 1010 S HA 0.173 4.650 4.470 0.013 0.000 0.240 1010 S C 1.548 176.061 174.600 -0.144 0.000 0.992 1010 S CA 0.118 58.011 58.200 -0.512 0.000 0.971 1010 S CB 0.816 63.536 63.200 -0.800 0.000 0.855 1010 S HN 0.525 nan 8.310 nan 0.000 0.481 1011 A N 1.459 124.228 122.820 -0.085 0.000 2.121 1011 A HA 0.451 4.779 4.320 0.013 0.000 0.218 1011 A C 2.092 179.518 177.584 -0.263 0.000 1.154 1011 A CA 1.190 53.041 52.037 -0.310 0.000 0.679 1011 A CB -1.203 17.368 19.000 -0.715 0.000 0.795 1011 A HN 1.446 nan 8.150 nan 0.000 0.458 1012 G N -1.307 107.438 108.800 -0.092 0.000 2.900 1012 G HA2 -0.302 3.666 3.960 0.013 0.000 0.223 1012 G HA3 -0.302 3.666 3.960 0.013 0.000 0.223 1012 G C 0.474 175.357 174.900 -0.028 0.000 1.293 1012 G CA 0.463 45.560 45.100 -0.006 0.000 0.792 1012 G HN 0.680 nan 8.290 nan 0.000 0.527 1013 R N -0.362 120.001 120.500 -0.228 0.000 2.534 1013 R HA 0.709 5.057 4.340 0.013 0.000 0.301 1013 R C -1.491 174.554 176.300 -0.425 0.000 0.961 1013 R CA -0.542 55.464 56.100 -0.157 0.000 0.871 1013 R CB 1.398 31.646 30.300 -0.087 0.000 1.170 1013 R HN 0.293 nan 8.270 nan 0.000 0.446 1014 Y N 0.517 120.800 120.300 -0.028 0.000 2.442 1014 Y HA 0.316 4.873 4.550 0.013 0.000 0.344 1014 Y C -0.533 175.483 175.900 0.193 0.000 0.976 1014 Y CA -0.824 57.211 58.100 -0.109 0.000 1.040 1014 Y CB 2.128 40.389 38.460 -0.332 0.000 1.228 1014 Y HN 0.583 nan 8.280 nan 0.000 0.451 1015 H N 3.291 122.591 119.070 0.383 0.000 2.589 1015 H HA 0.599 5.163 4.556 0.013 0.000 0.351 1015 H C -1.686 174.032 175.328 0.649 0.000 1.074 1015 H CA -0.880 55.403 56.048 0.392 0.000 1.203 1015 H CB 1.051 30.951 29.762 0.231 0.000 1.558 1015 H HN 0.586 nan 8.280 nan 0.000 0.522 1016 Y N 2.042 122.161 120.300 -0.301 0.000 2.625 1016 Y HA 0.535 5.093 4.550 0.013 0.000 0.338 1016 Y C -1.622 174.087 175.900 -0.318 0.000 1.123 1016 Y CA -1.171 56.841 58.100 -0.147 0.000 1.046 1016 Y CB 1.589 40.068 38.460 0.032 0.000 1.299 1016 Y HN 0.745 nan 8.280 nan 0.000 0.464 1017 Q N 2.088 121.895 119.800 0.012 0.000 2.340 1017 Q HA 0.771 5.119 4.340 0.013 0.000 0.276 1017 Q C -2.552 173.535 176.000 0.145 0.000 1.048 1017 Q CA -0.546 55.250 55.803 -0.011 0.000 0.832 1017 Q CB 2.576 31.364 28.738 0.085 0.000 1.373 1017 Q HN 0.890 nan 8.270 nan 0.000 0.409 1018 L N 1.907 123.202 121.223 0.119 0.000 2.376 1018 L HA 0.823 5.171 4.340 0.013 0.000 0.258 1018 L C -1.139 175.845 176.870 0.191 0.000 1.013 1018 L CA -1.243 53.702 54.840 0.176 0.000 0.822 1018 L CB 2.658 44.797 42.059 0.133 0.000 1.388 1018 L HN 0.495 nan 8.230 nan 0.000 0.413 1019 V N 0.546 120.596 119.914 0.227 0.000 2.487 1019 V HA 0.406 4.534 4.120 0.013 0.000 0.298 1019 V C -1.418 174.843 176.094 0.278 0.000 1.028 1019 V CA -0.383 62.059 62.300 0.236 0.000 0.860 1019 V CB 2.108 34.046 31.823 0.193 0.000 0.991 1019 V HN 0.622 nan 8.190 nan 0.000 0.427 1020 W N 7.208 128.569 121.300 0.102 0.000 2.417 1020 W HA 0.698 5.366 4.660 0.013 0.000 0.315 1020 W C -0.237 176.282 176.519 -0.001 0.000 1.045 1020 W CA -1.107 56.219 57.345 -0.032 0.000 1.221 1020 W CB 1.335 30.842 29.460 0.078 0.000 1.309 1020 W HN 0.858 nan 8.180 nan 0.000 0.453 1021 C N 4.213 123.738 119.300 0.375 0.000 3.336 1021 C HA 0.700 5.168 4.460 0.013 0.000 0.352 1021 C C -0.189 174.915 174.990 0.190 0.000 1.567 1021 C CA -0.709 58.475 59.018 0.278 0.000 1.328 1021 C CB 1.775 29.622 27.740 0.178 0.000 1.922 1021 C HN 0.745 nan 8.230 nan 0.000 0.439 1022 Q N 0.932 120.798 119.800 0.110 0.000 2.527 1022 Q HA 0.817 5.165 4.340 0.013 0.000 0.220 1022 Q C -1.241 174.755 176.000 -0.006 0.000 1.014 1022 Q CA -0.301 55.513 55.803 0.017 0.000 0.978 1022 Q CB 1.889 30.615 28.738 -0.020 0.000 1.245 1022 Q HN 0.964 nan 8.270 nan 0.000 0.513 1023 K N 0.000 120.374 120.400 -0.043 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 1023 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543