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 3iaq_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIVTHGMVP 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 0.000 176.098 176.300 -0.336 0.000 0.893 13 R CA 0.000 55.966 56.100 -0.223 0.000 0.921 13 R CB 0.000 30.168 30.300 -0.220 0.000 0.687 14 R N 1.338 121.549 120.500 -0.482 0.000 3.256 14 R HA 0.195 4.550 4.340 0.026 0.000 0.263 14 R C 0.015 175.762 176.300 -0.921 0.000 1.388 14 R CA -0.441 55.053 56.100 -1.009 0.000 1.580 14 R CB 0.423 30.218 30.300 -0.841 0.000 1.255 14 R HN 0.475 nan 8.270 nan 0.000 0.640 15 D N 1.191 121.204 120.400 -0.644 0.000 2.182 15 D HA -0.199 4.456 4.640 0.026 0.000 0.201 15 D C 1.346 177.530 176.300 -0.193 0.000 0.986 15 D CA 1.348 55.093 54.000 -0.425 0.000 0.847 15 D CB 0.131 40.506 40.800 -0.708 0.000 0.942 15 D HN 0.633 nan 8.370 nan 0.000 0.467 16 W N 1.415 122.720 121.300 0.009 0.000 3.204 16 W HA 0.188 4.863 4.660 0.025 0.000 0.249 16 W C 0.398 177.005 176.519 0.148 0.000 1.322 16 W CA -0.236 57.221 57.345 0.186 0.000 1.593 16 W CB -0.316 29.302 29.460 0.264 0.000 1.122 16 W HN -0.181 nan 8.180 nan 0.000 0.710 17 E N 1.167 121.239 120.200 -0.213 0.000 3.306 17 E HA 0.053 4.418 4.350 0.026 0.000 0.197 17 E C -0.785 175.657 176.600 -0.264 0.000 0.980 17 E CA -0.233 56.064 56.400 -0.170 0.000 1.259 17 E CB -0.179 29.403 29.700 -0.197 0.000 1.112 17 E HN 0.051 nan 8.360 nan 0.000 0.458 18 N N 1.032 119.611 118.700 -0.201 0.000 2.699 18 N HA 0.108 4.863 4.740 0.026 0.000 0.271 18 N C -2.464 172.899 175.510 -0.246 0.000 1.216 18 N CA -1.709 51.186 53.050 -0.259 0.000 0.844 18 N CB 1.458 39.802 38.487 -0.238 0.000 1.462 18 N HN -0.179 nan 8.380 nan 0.000 0.555 19 P HA 0.109 nan 4.420 nan 0.000 0.242 19 P C 1.011 178.091 177.300 -0.367 0.000 1.197 19 P CA 0.420 63.214 63.100 -0.511 0.000 0.765 19 P CB 0.107 31.045 31.700 -1.270 0.000 0.936 20 G N -0.185 108.437 108.800 -0.298 0.000 2.623 20 G HA2 0.034 4.009 3.960 0.026 0.000 0.214 20 G HA3 0.034 4.009 3.960 0.026 0.000 0.214 20 G C 0.383 175.210 174.900 -0.121 0.000 1.138 20 G CA 0.195 45.173 45.100 -0.204 0.000 0.794 20 G HN 0.210 nan 8.290 nan 0.000 0.535 21 V N 1.843 121.701 119.914 -0.094 0.000 2.284 21 V HA 0.279 4.415 4.120 0.026 0.000 0.274 21 V C 0.974 177.128 176.094 0.100 0.000 1.023 21 V CA 0.213 62.508 62.300 -0.009 0.000 0.808 21 V CB 1.003 32.793 31.823 -0.054 0.000 1.035 21 V HN 0.352 nan 8.190 nan 0.000 0.445 22 T N 0.823 115.432 114.554 0.092 0.000 3.014 22 T HA 0.271 4.637 4.350 0.026 0.000 0.250 22 T C 0.379 175.138 174.700 0.098 0.000 1.060 22 T CA 0.178 62.340 62.100 0.104 0.000 1.040 22 T CB 0.352 69.234 68.868 0.024 0.000 0.971 22 T HN 0.639 nan 8.240 nan 0.000 0.497 23 Q N 0.290 120.174 119.800 0.141 0.000 2.522 23 Q HA 0.719 5.074 4.340 0.026 0.000 0.285 23 Q C -2.057 174.073 176.000 0.217 0.000 0.982 23 Q CA -1.057 54.826 55.803 0.134 0.000 0.805 23 Q CB 1.305 30.051 28.738 0.012 0.000 1.457 23 Q HN 0.243 nan 8.270 nan 0.000 0.394 24 L N 1.908 123.289 121.223 0.264 0.000 2.438 24 L HA 0.579 4.935 4.340 0.026 0.000 0.270 24 L C -0.570 176.430 176.870 0.216 0.000 0.972 24 L CA -0.866 54.131 54.840 0.262 0.000 0.831 24 L CB 1.827 44.143 42.059 0.429 0.000 1.273 24 L HN 0.850 nan 8.230 nan 0.000 0.405 25 N N 0.872 119.667 118.700 0.158 0.000 2.753 25 N HA -0.210 4.546 4.740 0.026 0.000 0.251 25 N C 0.245 175.844 175.510 0.148 0.000 1.097 25 N CA 0.831 53.962 53.050 0.135 0.000 0.786 25 N CB -0.774 37.749 38.487 0.061 0.000 1.137 25 N HN 0.651 nan 8.380 nan 0.000 0.566 26 R N 0.909 121.425 120.500 0.025 0.000 2.438 26 R HA 0.364 4.719 4.340 0.026 0.000 0.287 26 R C 0.500 176.673 176.300 -0.211 0.000 1.077 26 R CA -0.281 55.615 56.100 -0.341 0.000 1.034 26 R CB 0.509 30.576 30.300 -0.389 0.000 0.993 26 R HN 0.116 nan 8.270 nan 0.000 0.459 27 L N 2.915 123.986 121.223 -0.253 0.000 2.453 27 L HA 0.313 4.668 4.340 0.026 0.000 0.261 27 L C 0.609 177.431 176.870 -0.079 0.000 1.179 27 L CA -0.523 54.259 54.840 -0.097 0.000 0.813 27 L CB 0.905 42.943 42.059 -0.037 0.000 1.110 27 L HN 0.734 nan 8.230 nan 0.000 0.466 28 A N 1.421 124.240 122.820 -0.001 0.000 2.445 28 A HA 0.529 4.864 4.320 0.026 0.000 0.242 28 A C 0.304 177.900 177.584 0.019 0.000 1.075 28 A CA -0.095 51.949 52.037 0.011 0.000 0.777 28 A CB 0.212 19.242 19.000 0.049 0.000 1.013 28 A HN 0.791 nan 8.150 nan 0.000 0.493 29 A N 1.530 124.314 122.820 -0.061 0.000 2.386 29 A HA 0.629 4.964 4.320 0.026 0.000 0.248 29 A C 0.131 177.654 177.584 -0.102 0.000 1.082 29 A CA 0.599 52.530 52.037 -0.175 0.000 0.789 29 A CB -0.182 18.721 19.000 -0.161 0.000 1.025 29 A HN 1.921 nan 8.150 nan 0.000 0.490 30 H N -2.005 116.946 119.070 -0.199 0.000 2.987 30 H HA 0.629 5.200 4.556 0.025 0.000 0.316 30 H C -3.457 171.610 175.328 -0.435 0.000 1.380 30 H CA -1.853 54.011 56.048 -0.306 0.000 1.160 30 H CB 0.110 29.613 29.762 -0.432 0.000 1.865 30 H HN 0.371 nan 8.280 nan 0.000 0.521 31 P HA 0.215 nan 4.420 nan 0.000 0.274 31 P C -2.589 174.527 177.300 -0.306 0.000 1.246 31 P CA -1.394 61.503 63.100 -0.337 0.000 0.795 31 P CB -0.162 31.241 31.700 -0.494 0.000 1.006 32 P HA -0.005 nan 4.420 nan 0.000 0.260 32 P C -0.884 176.550 177.300 0.223 0.000 1.172 32 P CA 1.081 64.197 63.100 0.026 0.000 0.760 32 P CB -0.161 31.607 31.700 0.114 0.000 0.773 33 F N 1.938 121.994 119.950 0.176 0.000 2.492 33 F HA 0.600 5.142 4.527 0.026 0.000 0.327 33 F C 1.011 176.738 175.800 -0.120 0.000 1.079 33 F CA -1.371 56.660 58.000 0.051 0.000 0.967 33 F CB 1.320 40.298 39.000 -0.035 0.000 1.169 33 F HN 0.299 nan 8.300 nan 0.000 0.472 34 A N 0.472 123.210 122.820 -0.136 0.000 2.548 34 A HA 0.315 4.650 4.320 0.026 0.000 0.236 34 A C 0.687 177.952 177.584 -0.530 0.000 1.246 34 A CA 0.557 52.273 52.037 -0.535 0.000 0.993 34 A CB -0.336 17.883 19.000 -1.301 0.000 1.209 34 A HN 0.836 nan 8.150 nan 0.000 0.570 35 S N 0.650 116.153 115.700 -0.329 0.000 3.405 35 S HA -0.149 4.337 4.470 0.026 0.000 0.373 35 S C -0.119 174.384 174.600 -0.162 0.000 0.939 35 S CA 0.314 58.381 58.200 -0.221 0.000 1.295 35 S CB -1.541 61.533 63.200 -0.209 0.000 0.919 35 S HN 0.438 nan 8.310 nan 0.000 0.535 36 W N 2.798 124.073 121.300 -0.041 0.000 2.210 36 W HA 0.224 4.899 4.660 0.025 0.000 0.330 36 W C 1.349 177.844 176.519 -0.041 0.000 1.334 36 W CA -0.636 56.691 57.345 -0.030 0.000 1.227 36 W CB 0.298 29.740 29.460 -0.030 0.000 1.178 36 W HN 0.420 nan 8.180 nan 0.000 0.560 37 R N 1.914 122.532 120.500 0.196 0.000 2.432 37 R HA 0.063 4.418 4.340 0.026 0.000 0.260 37 R C 0.098 176.455 176.300 0.094 0.000 0.935 37 R CA -0.038 56.125 56.100 0.105 0.000 1.080 37 R CB -0.105 30.227 30.300 0.055 0.000 1.155 37 R HN 0.390 nan 8.270 nan 0.000 0.531 38 N N 0.236 119.011 118.700 0.126 0.000 2.346 38 N HA 0.126 4.881 4.740 0.026 0.000 0.289 38 N C -0.123 175.365 175.510 -0.038 0.000 1.027 38 N CA -0.008 53.066 53.050 0.040 0.000 0.864 38 N CB 1.837 40.346 38.487 0.037 0.000 1.370 38 N HN -0.248 nan 8.380 nan 0.000 0.481 39 S N 2.367 118.021 115.700 -0.076 0.000 2.383 39 S HA -0.139 4.346 4.470 0.026 0.000 0.227 39 S C 1.395 175.833 174.600 -0.270 0.000 1.026 39 S CA 0.957 59.070 58.200 -0.145 0.000 0.981 39 S CB -0.060 63.085 63.200 -0.093 0.000 0.818 39 S HN 0.722 nan 8.310 nan 0.000 0.472 40 E N 1.678 121.736 120.200 -0.237 0.000 2.153 40 E HA -0.138 4.227 4.350 0.026 0.000 0.194 40 E C 1.772 178.160 176.600 -0.354 0.000 0.988 40 E CA 1.287 57.508 56.400 -0.299 0.000 0.811 40 E CB -0.191 29.387 29.700 -0.204 0.000 0.746 40 E HN 0.573 nan 8.360 nan 0.000 0.466 41 E N -0.520 119.479 120.200 -0.335 0.000 2.106 41 E HA -0.114 4.251 4.350 0.026 0.000 0.192 41 E C 1.950 177.964 176.600 -0.977 0.000 0.984 41 E CA 0.912 57.066 56.400 -0.411 0.000 0.806 41 E CB -0.154 29.458 29.700 -0.148 0.000 0.750 41 E HN 0.369 nan 8.360 nan 0.000 0.458 42 A N 1.290 123.357 122.820 -1.256 0.000 1.930 42 A HA -0.167 4.169 4.320 0.026 0.000 0.217 42 A C 2.063 179.079 177.584 -0.947 0.000 1.175 42 A CA 1.161 52.180 52.037 -1.696 0.000 0.627 42 A CB -0.343 18.135 19.000 -0.871 0.000 0.815 42 A HN 0.054 nan 8.150 nan 0.000 0.443 43 R N -0.188 119.915 120.500 -0.661 0.000 2.096 43 R HA -0.114 4.241 4.340 0.026 0.000 0.235 43 R C 1.581 177.619 176.300 -0.437 0.000 1.127 43 R CA 1.910 57.667 56.100 -0.572 0.000 0.968 43 R CB -0.263 29.574 30.300 -0.772 0.000 0.861 43 R HN 0.615 nan 8.270 nan 0.000 0.440 44 T N -2.901 111.412 114.554 -0.402 0.000 3.145 44 T HA 0.103 4.468 4.350 0.026 0.000 0.255 44 T C 0.008 174.612 174.700 -0.159 0.000 1.039 44 T CA 0.227 62.181 62.100 -0.243 0.000 0.928 44 T CB 0.247 68.998 68.868 -0.196 0.000 1.029 44 T HN 0.273 nan 8.240 nan 0.000 0.554 45 D N 1.350 121.616 120.400 -0.223 0.000 2.772 45 D HA -0.163 4.492 4.640 0.026 0.000 0.233 45 D C -0.044 176.361 176.300 0.174 0.000 1.143 45 D CA 0.449 54.459 54.000 0.016 0.000 0.700 45 D CB -0.913 39.940 40.800 0.088 0.000 1.076 45 D HN 0.604 nan 8.370 nan 0.000 0.430 46 R N 0.044 120.627 120.500 0.137 0.000 2.577 46 R HA 0.515 4.870 4.340 0.026 0.000 0.269 46 R C -2.109 174.434 176.300 0.404 0.000 1.084 46 R CA -1.499 54.725 56.100 0.207 0.000 1.163 46 R CB 0.095 30.456 30.300 0.103 0.000 1.100 46 R HN 0.081 nan 8.270 nan 0.000 0.547 47 P HA -0.052 nan 4.420 nan 0.000 0.266 47 P C -0.669 176.777 177.300 0.244 0.000 1.195 47 P CA 0.310 63.539 63.100 0.215 0.000 0.768 47 P CB 0.668 32.449 31.700 0.136 0.000 0.838 48 S N 1.607 117.349 115.700 0.070 0.000 2.451 48 S HA 0.121 4.606 4.470 0.026 0.000 0.301 48 S C 1.051 175.660 174.600 0.016 0.000 1.116 48 S CA -0.567 57.600 58.200 -0.054 0.000 1.093 48 S CB 0.486 63.346 63.200 -0.568 0.000 1.017 48 S HN 0.233 nan 8.310 nan 0.000 0.482 49 Q N 2.892 122.737 119.800 0.075 0.000 2.234 49 Q HA -0.115 4.240 4.340 0.026 0.000 0.206 49 Q C 1.219 177.347 176.000 0.213 0.000 0.980 49 Q CA 1.545 57.430 55.803 0.137 0.000 0.869 49 Q CB -0.200 28.623 28.738 0.142 0.000 0.912 49 Q HN 0.725 nan 8.270 nan 0.000 0.436 50 Q N -0.332 119.506 119.800 0.064 0.000 2.451 50 Q HA 0.051 4.406 4.340 0.026 0.000 0.206 50 Q C 0.047 176.085 176.000 0.063 0.000 0.947 50 Q CA 0.218 56.002 55.803 -0.031 0.000 0.937 50 Q CB 0.303 28.925 28.738 -0.192 0.000 1.025 50 Q HN 0.049 nan 8.270 nan 0.000 0.511 51 L N 1.037 122.302 121.223 0.070 0.000 2.506 51 L HA 0.344 4.699 4.340 0.026 0.000 0.247 51 L C -0.947 175.995 176.870 0.119 0.000 1.141 51 L CA -0.321 54.563 54.840 0.073 0.000 0.973 51 L CB 0.366 42.390 42.059 -0.058 0.000 1.319 51 L HN -0.124 nan 8.230 nan 0.000 0.455 52 R N 1.353 121.978 120.500 0.209 0.000 2.438 52 R HA 0.310 4.665 4.340 0.026 0.000 0.287 52 R C 0.116 176.436 176.300 0.032 0.000 1.077 52 R CA -0.165 55.995 56.100 0.099 0.000 1.034 52 R CB 1.023 31.337 30.300 0.024 0.000 0.993 52 R HN 0.590 nan 8.270 nan 0.000 0.459 53 S N 2.836 118.544 115.700 0.013 0.000 2.513 53 S HA 0.195 4.680 4.470 0.026 0.000 0.276 53 S C 0.764 175.354 174.600 -0.017 0.000 1.254 53 S CA -0.663 57.534 58.200 -0.006 0.000 1.053 53 S CB 0.466 63.673 63.200 0.012 0.000 0.958 53 S HN 0.545 nan 8.310 nan 0.000 0.491 54 L N 3.988 125.193 121.223 -0.031 0.000 2.741 54 L HA 0.274 4.630 4.340 0.026 0.000 0.237 54 L C 0.229 177.222 176.870 0.206 0.000 1.178 54 L CA -0.360 54.488 54.840 0.014 0.000 0.973 54 L CB -0.408 41.602 42.059 -0.082 0.000 1.255 54 L HN 0.520 nan 8.230 nan 0.000 0.498 55 N N 0.907 119.670 118.700 0.105 0.000 2.444 55 N HA 0.506 5.261 4.740 0.026 0.000 0.255 55 N C 0.681 176.299 175.510 0.181 0.000 1.255 55 N CA 1.001 54.111 53.050 0.101 0.000 0.933 55 N CB 1.177 39.671 38.487 0.011 0.000 1.143 55 N HN 0.280 nan 8.380 nan 0.000 0.453 56 G N 0.157 109.069 108.800 0.188 0.000 2.225 56 G HA2 -0.108 3.867 3.960 0.026 0.000 0.203 56 G HA3 -0.108 3.867 3.960 0.026 0.000 0.203 56 G C -1.493 173.600 174.900 0.321 0.000 1.335 56 G CA -0.773 44.448 45.100 0.202 0.000 1.183 56 G HN 0.474 nan 8.290 nan 0.000 0.488 57 E N 0.338 120.715 120.200 0.295 0.000 2.152 57 E HA 0.430 4.795 4.350 0.026 0.000 0.285 57 E C -0.946 175.907 176.600 0.421 0.000 1.043 57 E CA -0.181 56.403 56.400 0.306 0.000 0.839 57 E CB 0.932 30.737 29.700 0.175 0.000 1.069 57 E HN 0.331 nan 8.360 nan 0.000 0.399 58 W N 1.802 123.198 121.300 0.160 0.000 2.671 58 W HA 0.379 5.054 4.660 0.026 0.000 0.360 58 W C 0.368 177.031 176.519 0.241 0.000 1.128 58 W CA -0.731 56.745 57.345 0.218 0.000 1.184 58 W CB 0.756 30.396 29.460 0.301 0.000 1.415 58 W HN 0.175 nan 8.180 nan 0.000 0.604 59 R N 1.523 122.309 120.500 0.477 0.000 2.474 59 R HA 0.586 4.941 4.340 0.026 0.000 0.295 59 R C -1.473 175.102 176.300 0.457 0.000 0.980 59 R CA -0.905 55.420 56.100 0.374 0.000 0.934 59 R CB 1.192 31.646 30.300 0.257 0.000 1.101 59 R HN 0.497 nan 8.270 nan 0.000 0.469 60 F N 0.375 120.391 119.950 0.110 0.000 2.596 60 F HA 0.605 5.148 4.527 0.025 0.000 0.311 60 F C -1.592 174.050 175.800 -0.264 0.000 1.116 60 F CA -0.568 57.350 58.000 -0.137 0.000 0.957 60 F CB 1.952 40.797 39.000 -0.259 0.000 1.250 60 F HN 0.614 nan 8.300 nan 0.000 0.444 61 A N 4.626 126.644 122.820 -1.337 0.000 2.422 61 A HA 0.557 4.893 4.320 0.026 0.000 0.302 61 A C -2.290 174.240 177.584 -1.757 0.000 1.041 61 A CA -0.531 50.772 52.037 -1.224 0.000 0.708 61 A CB 0.703 19.253 19.000 -0.750 0.000 1.257 61 A HN 0.941 nan 8.150 nan 0.000 0.414 62 W N 2.681 123.066 121.300 -1.526 0.000 2.376 62 W HA 0.719 5.395 4.660 0.025 0.000 0.322 62 W C -1.728 174.098 176.519 -1.156 0.000 1.160 62 W CA -0.124 56.500 57.345 -1.202 0.000 1.218 62 W CB 0.821 29.901 29.460 -0.634 0.000 1.205 62 W HN 0.469 nan 8.180 nan 0.000 0.559 63 F N 6.446 125.591 119.950 -1.343 0.000 2.588 63 F HA 0.332 4.875 4.527 0.025 0.000 0.310 63 F C -1.240 173.589 175.800 -1.618 0.000 1.082 63 F CA -2.328 54.996 58.000 -1.125 0.000 0.929 63 F CB 1.846 40.396 39.000 -0.750 0.000 1.254 63 F HN 0.211 nan 8.300 nan 0.000 0.455 64 P HA 0.038 nan 4.420 nan 0.000 0.221 64 P C -0.241 176.891 177.300 -0.280 0.000 1.150 64 P CA 1.062 63.846 63.100 -0.528 0.000 0.800 64 P CB 0.688 32.352 31.700 -0.060 0.000 0.787 65 A N -1.000 121.675 122.820 -0.243 0.000 2.612 65 A HA 0.526 4.861 4.320 0.026 0.000 0.293 65 A C -2.340 175.105 177.584 -0.231 0.000 1.075 65 A CA -1.154 50.785 52.037 -0.163 0.000 0.680 65 A CB 0.569 19.542 19.000 -0.046 0.000 1.279 65 A HN -0.259 nan 8.150 nan 0.000 0.411 66 P HA -0.146 nan 4.420 nan 0.000 0.219 66 P C 0.628 177.807 177.300 -0.202 0.000 1.146 66 P CA 1.458 64.402 63.100 -0.261 0.000 0.808 66 P CB 0.254 31.778 31.700 -0.294 0.000 0.779 67 E N -0.055 120.081 120.200 -0.107 0.000 2.409 67 E HA -0.032 4.333 4.350 0.026 0.000 0.198 67 E C 2.004 178.509 176.600 -0.158 0.000 1.024 67 E CA 1.089 57.440 56.400 -0.082 0.000 0.861 67 E CB -0.711 28.982 29.700 -0.011 0.000 0.788 67 E HN 0.273 nan 8.360 nan 0.000 0.521 68 A N 0.147 122.820 122.820 -0.245 0.000 2.195 68 A HA 0.114 4.450 4.320 0.026 0.000 0.210 68 A C 0.759 177.975 177.584 -0.614 0.000 1.165 68 A CA -0.198 51.669 52.037 -0.284 0.000 0.806 68 A CB 0.425 19.338 19.000 -0.146 0.000 0.847 68 A HN 0.045 nan 8.150 nan 0.000 0.482 69 V N 3.674 123.095 119.914 -0.822 0.000 2.479 69 V HA 0.167 4.302 4.120 0.026 0.000 0.281 69 V C -1.967 173.772 176.094 -0.592 0.000 1.031 69 V CA -1.249 60.364 62.300 -1.144 0.000 1.038 69 V CB 0.407 31.653 31.823 -0.961 0.000 0.981 69 V HN 0.376 nan 8.190 nan 0.000 0.478 70 P HA 0.237 nan 4.420 nan 0.000 0.275 70 P C 0.317 177.545 177.300 -0.121 0.000 1.228 70 P CA -0.376 62.600 63.100 -0.208 0.000 0.786 70 P CB 1.302 32.936 31.700 -0.109 0.000 0.927 71 E N 0.878 121.022 120.200 -0.093 0.000 2.153 71 E HA -0.166 4.200 4.350 0.026 0.000 0.194 71 E C 1.914 178.480 176.600 -0.058 0.000 0.988 71 E CA 1.858 58.209 56.400 -0.081 0.000 0.811 71 E CB -0.544 29.114 29.700 -0.070 0.000 0.746 71 E HN 0.561 nan 8.360 nan 0.000 0.466 72 S N -0.547 115.140 115.700 -0.022 0.000 2.474 72 S HA -0.174 4.311 4.470 0.026 0.000 0.235 72 S C 1.724 176.335 174.600 0.017 0.000 0.997 72 S CA 0.545 58.740 58.200 -0.009 0.000 0.949 72 S CB -0.568 62.636 63.200 0.007 0.000 0.766 72 S HN 0.547 nan 8.310 nan 0.000 0.517 73 W N 2.372 123.580 121.300 -0.153 0.000 2.374 73 W HA 0.083 4.758 4.660 0.025 0.000 0.288 73 W C 1.616 178.033 176.519 -0.171 0.000 1.218 73 W CA 0.801 58.059 57.345 -0.144 0.000 1.245 73 W CB -0.347 29.010 29.460 -0.172 0.000 1.126 73 W HN 0.239 nan 8.180 nan 0.000 0.545 74 L N 0.324 121.316 121.223 -0.384 0.000 2.012 74 L HA -0.222 4.134 4.340 0.026 0.000 0.210 74 L C 2.433 179.061 176.870 -0.403 0.000 1.073 74 L CA 1.970 56.434 54.840 -0.626 0.000 0.748 74 L CB -0.946 40.755 42.059 -0.598 0.000 0.891 74 L HN 0.054 nan 8.230 nan 0.000 0.431 75 E N -1.396 118.662 120.200 -0.237 0.000 2.122 75 E HA -0.053 4.313 4.350 0.026 0.000 0.190 75 E C 0.585 177.104 176.600 -0.135 0.000 0.977 75 E CA 0.532 56.845 56.400 -0.145 0.000 0.820 75 E CB 0.422 30.071 29.700 -0.086 0.000 0.770 75 E HN 0.432 nan 8.360 nan 0.000 0.462 76 C N 1.208 120.429 119.300 -0.132 0.000 2.698 76 C HA 0.333 4.809 4.460 0.026 0.000 0.309 76 C C -0.705 174.251 174.990 -0.056 0.000 1.186 76 C CA -1.102 57.867 59.018 -0.082 0.000 1.474 76 C CB 1.370 29.085 27.740 -0.041 0.000 2.020 76 C HN 0.207 nan 8.230 nan 0.000 0.474 77 D N 2.292 122.677 120.400 -0.025 0.000 2.472 77 D HA 0.259 4.914 4.640 0.026 0.000 0.237 77 D C -0.238 176.125 176.300 0.105 0.000 1.141 77 D CA 0.430 54.458 54.000 0.047 0.000 0.875 77 D CB 0.608 41.433 40.800 0.042 0.000 1.192 77 D HN 0.611 nan 8.370 nan 0.000 0.450 78 L N 5.239 126.576 121.223 0.190 0.000 2.331 78 L HA 0.247 4.602 4.340 0.026 0.000 0.278 78 L C -1.340 175.589 176.870 0.098 0.000 1.106 78 L CA -1.512 53.422 54.840 0.156 0.000 0.824 78 L CB 1.199 43.373 42.059 0.191 0.000 1.142 78 L HN 0.518 nan 8.230 nan 0.000 0.443 79 P HA -0.106 nan 4.420 nan 0.000 0.221 79 P C 0.751 178.079 177.300 0.045 0.000 1.150 79 P CA 0.879 64.010 63.100 0.052 0.000 0.800 79 P CB 0.330 32.054 31.700 0.040 0.000 0.787 80 E N 0.213 120.436 120.200 0.038 0.000 2.152 80 E HA 0.049 4.414 4.350 0.026 0.000 0.192 80 E C 1.043 177.650 176.600 0.011 0.000 0.983 80 E CA 0.336 56.744 56.400 0.014 0.000 0.818 80 E CB -0.836 28.855 29.700 -0.016 0.000 0.758 80 E HN 0.146 nan 8.360 nan 0.000 0.467 81 A N 2.021 124.853 122.820 0.020 0.000 2.587 81 A HA -0.048 4.287 4.320 0.026 0.000 0.235 81 A C -0.095 177.545 177.584 0.092 0.000 1.044 81 A CA 0.219 52.274 52.037 0.031 0.000 0.754 81 A CB 0.110 19.160 19.000 0.083 0.000 0.968 81 A HN 0.016 nan 8.150 nan 0.000 0.509 82 D N 1.157 121.646 120.400 0.148 0.000 2.294 82 D HA 0.361 5.017 4.640 0.026 0.000 0.250 82 D C -0.186 176.241 176.300 0.211 0.000 1.058 82 D CA 0.188 54.301 54.000 0.188 0.000 0.950 82 D CB 1.104 42.068 40.800 0.274 0.000 1.158 82 D HN 0.460 nan 8.370 nan 0.000 0.453 83 T N 0.733 115.388 114.554 0.169 0.000 2.743 83 T HA 0.425 4.790 4.350 0.026 0.000 0.293 83 T C 0.236 175.038 174.700 0.170 0.000 0.945 83 T CA -0.569 61.639 62.100 0.179 0.000 1.030 83 T CB 0.641 69.587 68.868 0.130 0.000 0.912 83 T HN 0.263 nan 8.240 nan 0.000 0.483 84 V N 1.264 121.317 119.914 0.232 0.000 3.040 84 V HA 0.777 4.912 4.120 0.026 0.000 0.312 84 V C -0.237 175.995 176.094 0.229 0.000 1.115 84 V CA -1.114 61.292 62.300 0.175 0.000 0.998 84 V CB 1.668 33.612 31.823 0.201 0.000 1.042 84 V HN 0.516 nan 8.190 nan 0.000 0.433 85 V N 2.277 122.293 119.914 0.171 0.000 2.583 85 V HA 0.515 4.650 4.120 0.026 0.000 0.287 85 V C 0.062 176.225 176.094 0.115 0.000 1.051 85 V CA -0.058 62.333 62.300 0.151 0.000 1.010 85 V CB 1.290 33.170 31.823 0.094 0.000 0.988 85 V HN 0.753 nan 8.190 nan 0.000 0.478 86 V N 6.786 126.690 119.914 -0.017 0.000 2.638 86 V HA 0.439 4.575 4.120 0.026 0.000 0.306 86 V C -2.293 173.660 176.094 -0.235 0.000 1.052 86 V CA -1.675 60.462 62.300 -0.273 0.000 0.885 86 V CB 2.612 33.912 31.823 -0.871 0.000 0.999 86 V HN 0.764 nan 8.190 nan 0.000 0.424 87 P HA 0.353 nan 4.420 nan 0.000 0.272 87 P C -0.748 176.458 177.300 -0.156 0.000 1.223 87 P CA 0.051 63.002 63.100 -0.249 0.000 0.784 87 P CB 1.246 32.820 31.700 -0.211 0.000 0.923 88 S N 0.544 116.160 115.700 -0.140 0.000 2.578 88 S HA 0.375 4.861 4.470 0.026 0.000 0.272 88 S C -1.185 173.329 174.600 -0.144 0.000 1.145 88 S CA -1.073 57.046 58.200 -0.135 0.000 0.835 88 S CB 0.371 63.481 63.200 -0.149 0.000 1.104 88 S HN 0.355 nan 8.310 nan 0.000 0.458 89 N N 1.238 119.801 118.700 -0.229 0.000 2.426 89 N HA 0.398 5.153 4.740 0.026 0.000 0.275 89 N C 0.582 175.888 175.510 -0.340 0.000 1.019 89 N CA -0.796 52.071 53.050 -0.304 0.000 0.941 89 N CB 0.545 38.819 38.487 -0.354 0.000 1.123 89 N HN 0.867 nan 8.380 nan 0.000 0.486 90 W N 2.419 123.583 121.300 -0.227 0.000 2.468 90 W HA -0.059 4.617 4.660 0.026 0.000 0.262 90 W C 0.999 177.493 176.519 -0.042 0.000 1.241 90 W CA 0.550 57.761 57.345 -0.223 0.000 1.232 90 W CB -0.413 28.897 29.460 -0.250 0.000 1.124 90 W HN 0.506 nan 8.180 nan 0.000 0.597 91 Q N 0.585 120.331 119.800 -0.091 0.000 2.124 91 Q HA -0.144 4.212 4.340 0.026 0.000 0.202 91 Q C 2.173 178.100 176.000 -0.121 0.000 0.977 91 Q CA 2.043 57.793 55.803 -0.087 0.000 0.850 91 Q CB -0.594 27.978 28.738 -0.277 0.000 0.901 91 Q HN 0.242 nan 8.270 nan 0.000 0.429 92 M N -0.518 118.959 119.600 -0.204 0.000 2.686 92 M HA -0.054 4.442 4.480 0.026 0.000 0.246 92 M C 0.481 176.801 176.300 0.033 0.000 1.096 92 M CA 1.362 56.570 55.300 -0.153 0.000 1.076 92 M CB -0.587 31.898 32.600 -0.191 0.000 1.504 92 M HN 0.394 nan 8.290 nan 0.000 0.524 93 H N -1.312 117.775 119.070 0.028 0.000 2.705 93 H HA 0.305 4.876 4.556 0.026 0.000 0.269 93 H C 1.340 176.558 175.328 -0.185 0.000 0.998 93 H CA 0.135 56.168 56.048 -0.025 0.000 1.193 93 H CB 0.647 30.476 29.762 0.111 0.000 1.485 93 H HN 0.514 nan 8.280 nan 0.000 0.521 94 G N 0.676 109.489 108.800 0.021 0.000 2.141 94 G HA2 -0.367 3.608 3.960 0.026 0.000 0.242 94 G HA3 -0.367 3.608 3.960 0.026 0.000 0.242 94 G C 0.349 175.168 174.900 -0.135 0.000 0.982 94 G CA 0.393 45.459 45.100 -0.058 0.000 0.662 94 G HN 0.429 nan 8.290 nan 0.000 0.527 95 Y N 1.608 121.923 120.300 0.025 0.000 2.181 95 Y HA 0.180 4.745 4.550 0.025 0.000 0.288 95 Y C 1.802 177.418 175.900 -0.473 0.000 1.146 95 Y CA 1.892 59.885 58.100 -0.178 0.000 1.164 95 Y CB 0.063 38.519 38.460 -0.007 0.000 0.982 95 Y HN 0.671 nan 8.280 nan 0.000 0.515 96 D N -1.876 118.552 120.400 0.046 0.000 2.610 96 D HA 0.520 5.175 4.640 0.026 0.000 0.271 96 D C -1.090 175.280 176.300 0.116 0.000 1.174 96 D CA -0.921 53.094 54.000 0.024 0.000 0.949 96 D CB 0.927 41.846 40.800 0.199 0.000 1.430 96 D HN 0.008 nan 8.370 nan 0.000 0.467 97 A N 0.518 123.413 122.820 0.125 0.000 2.366 97 A HA 0.579 4.914 4.320 0.026 0.000 0.272 97 A C -2.162 175.463 177.584 0.068 0.000 1.135 97 A CA -1.059 51.045 52.037 0.112 0.000 0.804 97 A CB -0.248 18.875 19.000 0.204 0.000 1.064 97 A HN 0.539 nan 8.150 nan 0.000 0.499 98 P HA 0.284 nan 4.420 nan 0.000 0.271 98 P C -0.811 176.675 177.300 0.310 0.000 1.216 98 P CA 0.280 63.342 63.100 -0.064 0.000 0.776 98 P CB 0.635 32.021 31.700 -0.523 0.000 0.881 99 I N 3.134 123.961 120.570 0.428 0.000 2.378 99 I HA 0.240 4.426 4.170 0.026 0.000 0.291 99 I C -0.267 176.016 176.117 0.277 0.000 0.992 99 I CA -0.987 60.545 61.300 0.388 0.000 1.154 99 I CB 1.168 39.343 38.000 0.292 0.000 1.315 99 I HN 0.295 nan 8.210 nan 0.000 0.448 100 Y N 6.461 126.621 120.300 -0.234 0.000 2.369 100 Y HA 0.535 5.100 4.550 0.025 0.000 0.337 100 Y C -0.209 175.514 175.900 -0.295 0.000 0.961 100 Y CA -0.404 57.307 58.100 -0.648 0.000 1.186 100 Y CB 1.190 38.739 38.460 -1.519 0.000 1.139 100 Y HN 0.565 nan 8.280 nan 0.000 0.494 101 T N 5.328 119.376 114.554 -0.844 0.000 2.900 101 T HA 0.272 4.638 4.350 0.026 0.000 0.295 101 T C 0.070 174.294 174.700 -0.792 0.000 1.044 101 T CA -0.632 60.981 62.100 -0.812 0.000 0.995 101 T CB 1.277 69.918 68.868 -0.377 0.000 1.072 101 T HN 0.772 nan 8.240 nan 0.000 0.473 102 N N 1.973 120.272 118.700 -0.670 0.000 2.288 102 N HA 0.050 4.805 4.740 0.026 0.000 0.199 102 N C 1.610 176.920 175.510 -0.333 0.000 1.043 102 N CA 1.505 54.305 53.050 -0.417 0.000 0.947 102 N CB -0.496 37.744 38.487 -0.412 0.000 1.140 102 N HN 0.420 nan 8.380 nan 0.000 0.490 103 V N 0.529 120.179 119.914 -0.440 0.000 2.436 103 V HA 0.098 4.233 4.120 0.026 0.000 0.240 103 V C 0.471 176.259 176.094 -0.509 0.000 1.040 103 V CA 0.858 62.809 62.300 -0.581 0.000 1.052 103 V CB -0.817 30.519 31.823 -0.811 0.000 0.707 103 V HN 0.289 nan 8.190 nan 0.000 0.469 104 T N 1.421 115.736 114.554 -0.398 0.000 2.829 104 T HA 0.182 4.548 4.350 0.026 0.000 0.293 104 T C -0.327 174.229 174.700 -0.240 0.000 0.970 104 T CA 0.090 62.023 62.100 -0.278 0.000 1.168 104 T CB -0.379 68.364 68.868 -0.209 0.000 0.911 104 T HN 0.174 nan 8.240 nan 0.000 0.535 105 Y N 4.879 125.082 120.300 -0.163 0.000 2.903 105 Y HA 0.050 4.615 4.550 0.025 0.000 0.338 105 Y C -0.753 175.022 175.900 -0.209 0.000 1.265 105 Y CA -1.409 56.589 58.100 -0.171 0.000 1.532 105 Y CB 0.241 38.600 38.460 -0.168 0.000 1.293 105 Y HN 0.517 nan 8.280 nan 0.000 0.609 106 P HA 0.013 nan 4.420 nan 0.000 0.245 106 P C -0.358 176.714 177.300 -0.380 0.000 1.212 106 P CA 0.993 63.982 63.100 -0.184 0.000 0.774 106 P CB -0.080 31.554 31.700 -0.111 0.000 0.999 107 I N -5.605 114.729 120.570 -0.394 0.000 3.042 107 I HA 0.486 4.671 4.170 0.026 0.000 0.310 107 I C -0.677 175.308 176.117 -0.220 0.000 1.117 107 I CA -1.270 59.762 61.300 -0.448 0.000 1.003 107 I CB 1.752 39.313 38.000 -0.733 0.000 1.228 107 I HN -0.486 nan 8.210 nan 0.000 0.443 108 T N 3.007 117.472 114.554 -0.149 0.000 2.829 108 T HA 0.139 4.504 4.350 0.026 0.000 0.293 108 T C 0.313 175.004 174.700 -0.015 0.000 0.970 108 T CA -0.233 61.835 62.100 -0.053 0.000 1.168 108 T CB 0.283 69.142 68.868 -0.015 0.000 0.911 108 T HN 0.383 nan 8.240 nan 0.000 0.535 109 V N 5.324 125.238 119.914 0.001 0.000 2.382 109 V HA 0.106 4.242 4.120 0.026 0.000 0.250 109 V C 0.855 176.985 176.094 0.061 0.000 1.069 109 V CA 0.035 62.354 62.300 0.032 0.000 1.130 109 V CB -0.919 30.915 31.823 0.019 0.000 1.165 109 V HN 0.803 nan 8.190 nan 0.000 0.483 110 N N 5.615 124.402 118.700 0.146 0.000 2.697 110 N HA 0.256 5.011 4.740 0.026 0.000 0.253 110 N C -2.856 172.730 175.510 0.127 0.000 1.604 110 N CA -1.361 51.773 53.050 0.141 0.000 0.772 110 N CB 1.564 40.164 38.487 0.189 0.000 1.267 110 N HN 0.272 nan 8.380 nan 0.000 0.510 111 P HA 0.235 nan 4.420 nan 0.000 0.268 111 P C -2.258 174.895 177.300 -0.245 0.000 1.204 111 P CA -0.737 62.034 63.100 -0.550 0.000 0.768 111 P CB 0.794 32.036 31.700 -0.763 0.000 0.842 112 P HA 0.261 nan 4.420 nan 0.000 0.259 112 P C -0.603 176.638 177.300 -0.099 0.000 1.530 112 P CA -0.362 62.596 63.100 -0.237 0.000 1.022 112 P CB -0.062 31.459 31.700 -0.299 0.000 1.514 113 F N 1.268 121.333 119.950 0.193 0.000 2.427 113 F HA 0.259 4.802 4.527 0.026 0.000 0.352 113 F C 1.280 177.234 175.800 0.256 0.000 1.100 113 F CA -0.893 57.218 58.000 0.184 0.000 1.191 113 F CB 0.725 39.783 39.000 0.097 0.000 1.128 113 F HN -0.204 nan 8.300 nan 0.000 0.533 114 V N 0.784 120.954 119.914 0.427 0.000 2.994 114 V HA 0.705 4.840 4.120 0.026 0.000 0.318 114 V C -2.571 173.690 176.094 0.279 0.000 1.085 114 V CA -2.953 59.534 62.300 0.311 0.000 0.998 114 V CB 1.145 33.205 31.823 0.396 0.000 1.063 114 V HN 0.476 nan 8.190 nan 0.000 0.447 115 P HA 0.153 nan 4.420 nan 0.000 0.268 115 P C 1.127 178.567 177.300 0.233 0.000 1.208 115 P CA 0.539 63.737 63.100 0.162 0.000 0.777 115 P CB 0.464 32.229 31.700 0.108 0.000 0.875 116 T N -1.665 112.996 114.554 0.179 0.000 2.821 116 T HA -0.114 4.252 4.350 0.026 0.000 0.267 116 T C 0.504 175.304 174.700 0.167 0.000 1.046 116 T CA 0.880 63.086 62.100 0.175 0.000 1.139 116 T CB -0.657 68.282 68.868 0.118 0.000 0.871 116 T HN 0.403 nan 8.240 nan 0.000 0.454 117 E N 2.672 122.971 120.200 0.165 0.000 1.858 117 E HA 0.231 4.596 4.350 0.026 0.000 0.267 117 E C -0.733 176.016 176.600 0.248 0.000 1.215 117 E CA -0.364 56.140 56.400 0.173 0.000 0.952 117 E CB -0.009 29.801 29.700 0.182 0.000 1.058 117 E HN 0.275 nan 8.360 nan 0.000 0.407 118 N N 4.096 122.908 118.700 0.187 0.000 2.569 118 N HA 0.228 4.984 4.740 0.026 0.000 0.254 118 N C -2.814 172.708 175.510 0.021 0.000 1.004 118 N CA -2.573 50.611 53.050 0.224 0.000 0.904 118 N CB 1.054 39.660 38.487 0.198 0.000 1.165 118 N HN 0.033 nan 8.380 nan 0.000 0.513 119 P HA 0.015 nan 4.420 nan 0.000 0.261 119 P C -0.918 176.260 177.300 -0.204 0.000 1.173 119 P CA 0.494 63.538 63.100 -0.093 0.000 0.760 119 P CB 0.441 32.362 31.700 0.367 0.000 0.783 120 T N 2.598 116.785 114.554 -0.612 0.000 2.840 120 T HA 0.548 4.913 4.350 0.026 0.000 0.287 120 T C 0.185 174.379 174.700 -0.843 0.000 0.991 120 T CA -0.616 61.179 62.100 -0.508 0.000 0.964 120 T CB 1.574 70.192 68.868 -0.418 0.000 0.954 120 T HN 0.340 nan 8.240 nan 0.000 0.438 121 G N 0.960 109.319 108.800 -0.734 0.000 2.335 121 G HA2 0.468 4.443 3.960 0.026 0.000 0.314 121 G HA3 0.468 4.443 3.960 0.026 0.000 0.314 121 G C -0.242 174.362 174.900 -0.493 0.000 1.129 121 G CA -0.356 44.219 45.100 -0.876 0.000 0.912 121 G HN 0.866 nan 8.290 nan 0.000 0.443 122 C N 3.487 122.274 119.300 -0.856 0.000 2.176 122 C HA 0.406 4.881 4.460 0.026 0.000 0.329 122 C C -0.513 174.437 174.990 -0.066 0.000 1.113 122 C CA -0.881 57.800 59.018 -0.563 0.000 1.562 122 C CB -1.844 25.212 27.740 -1.140 0.000 2.040 122 C HN 0.636 nan 8.230 nan 0.000 0.460 123 Y N 2.357 122.981 120.300 0.541 0.000 2.330 123 Y HA 0.532 5.098 4.550 0.026 0.000 0.336 123 Y C 0.849 177.225 175.900 0.793 0.000 1.036 123 Y CA -0.017 58.515 58.100 0.719 0.000 1.125 123 Y CB 1.294 40.169 38.460 0.691 0.000 1.194 123 Y HN 0.644 nan 8.280 nan 0.000 0.469 124 S N 3.462 119.627 115.700 0.775 0.000 2.569 124 S HA 0.826 5.312 4.470 0.026 0.000 0.280 124 S C -1.737 172.888 174.600 0.042 0.000 1.111 124 S CA -0.827 57.589 58.200 0.360 0.000 0.887 124 S CB 2.162 65.480 63.200 0.196 0.000 1.095 124 S HN 0.576 nan 8.310 nan 0.000 0.476 125 L N 1.325 122.390 121.223 -0.264 0.000 2.470 125 L HA 0.656 5.011 4.340 0.026 0.000 0.268 125 L C -0.942 175.866 176.870 -0.103 0.000 0.964 125 L CA 0.092 54.627 54.840 -0.508 0.000 0.839 125 L CB 2.296 43.491 42.059 -1.441 0.000 1.276 125 L HN 0.892 nan 8.230 nan 0.000 0.403 126 T N 5.823 120.337 114.554 -0.067 0.000 2.744 126 T HA 0.692 5.057 4.350 0.026 0.000 0.291 126 T C -0.862 173.858 174.700 0.035 0.000 0.957 126 T CA 0.073 62.155 62.100 -0.031 0.000 1.002 126 T CB 0.088 68.915 68.868 -0.068 0.000 0.919 126 T HN 0.418 nan 8.240 nan 0.000 0.468 127 F N 1.114 120.970 119.950 -0.156 0.000 2.631 127 F HA 0.721 5.263 4.527 0.026 0.000 0.308 127 F C -0.818 174.907 175.800 -0.126 0.000 1.097 127 F CA -1.665 56.245 58.000 -0.149 0.000 0.952 127 F CB 1.081 39.975 39.000 -0.177 0.000 1.307 127 F HN 0.306 nan 8.300 nan 0.000 0.450 128 N N 0.754 119.414 118.700 -0.067 0.000 2.524 128 N HA 0.635 5.390 4.740 0.026 0.000 0.283 128 N C -1.720 173.710 175.510 -0.133 0.000 1.142 128 N CA -0.328 52.632 53.050 -0.150 0.000 0.984 128 N CB 1.651 40.077 38.487 -0.102 0.000 1.155 128 N HN 0.623 nan 8.380 nan 0.000 0.467 129 V N 2.303 122.104 119.914 -0.189 0.000 2.577 129 V HA 0.261 4.397 4.120 0.026 0.000 0.303 129 V C -0.338 175.656 176.094 -0.167 0.000 1.042 129 V CA -1.071 61.107 62.300 -0.204 0.000 0.872 129 V CB 1.581 33.349 31.823 -0.093 0.000 0.998 129 V HN 0.720 nan 8.190 nan 0.000 0.423 130 D N 2.389 122.652 120.400 -0.229 0.000 2.341 130 D HA 0.075 4.730 4.640 0.026 0.000 0.245 130 D C 0.994 177.313 176.300 0.032 0.000 1.106 130 D CA -0.052 53.896 54.000 -0.087 0.000 0.905 130 D CB 1.980 42.739 40.800 -0.068 0.000 1.202 130 D HN 0.761 nan 8.370 nan 0.000 0.426 131 E N 1.477 121.700 120.200 0.039 0.000 2.209 131 E HA -0.200 4.165 4.350 0.026 0.000 0.196 131 E C 1.738 178.400 176.600 0.103 0.000 0.993 131 E CA 1.694 58.133 56.400 0.064 0.000 0.819 131 E CB -0.111 29.611 29.700 0.037 0.000 0.745 131 E HN 0.442 nan 8.360 nan 0.000 0.477 132 S N -1.105 114.666 115.700 0.118 0.000 2.419 132 S HA -0.157 4.328 4.470 0.026 0.000 0.233 132 S C 1.631 176.296 174.600 0.109 0.000 1.016 132 S CA 0.891 59.158 58.200 0.112 0.000 0.974 132 S CB -0.726 62.544 63.200 0.117 0.000 0.786 132 S HN 0.410 nan 8.310 nan 0.000 0.492 133 W N 1.377 122.600 121.300 -0.127 0.000 2.584 133 W HA 0.423 5.099 4.660 0.026 0.000 0.264 133 W C 1.799 178.353 176.519 0.057 0.000 1.264 133 W CA -0.125 57.117 57.345 -0.171 0.000 1.306 133 W CB -0.286 29.145 29.460 -0.048 0.000 1.110 133 W HN 0.309 nan 8.180 nan 0.000 0.606 134 L N -1.289 120.086 121.223 0.253 0.000 2.575 134 L HA 0.100 4.455 4.340 0.026 0.000 0.228 134 L C 2.212 179.164 176.870 0.137 0.000 1.075 134 L CA 0.285 55.246 54.840 0.201 0.000 0.867 134 L CB -0.626 41.527 42.059 0.158 0.000 1.097 134 L HN -0.155 nan 8.230 nan 0.000 0.485 135 Q N 0.412 120.278 119.800 0.109 0.000 2.170 135 Q HA -0.044 4.311 4.340 0.026 0.000 0.203 135 Q C -0.059 175.988 176.000 0.079 0.000 0.976 135 Q CA 0.970 56.818 55.803 0.076 0.000 0.858 135 Q CB 0.430 29.201 28.738 0.056 0.000 0.907 135 Q HN 0.375 nan 8.270 nan 0.000 0.433 136 E N -1.199 119.066 120.200 0.109 0.000 2.340 136 E HA 0.453 4.818 4.350 0.026 0.000 0.273 136 E C -0.073 176.643 176.600 0.192 0.000 0.891 136 E CA 0.146 56.613 56.400 0.112 0.000 0.757 136 E CB 2.036 31.787 29.700 0.085 0.000 1.231 136 E HN 0.244 nan 8.360 nan 0.000 0.439 137 G N 1.902 110.748 108.800 0.077 0.000 2.593 137 G HA2 -0.279 3.697 3.960 0.026 0.000 0.237 137 G HA3 -0.279 3.697 3.960 0.026 0.000 0.237 137 G C -0.514 174.324 174.900 -0.104 0.000 1.312 137 G CA -0.134 44.929 45.100 -0.062 0.000 0.896 137 G HN 0.501 nan 8.290 nan 0.000 0.574 138 Q N -0.309 119.285 119.800 -0.343 0.000 2.333 138 Q HA 0.622 4.978 4.340 0.026 0.000 0.267 138 Q C -0.986 174.894 176.000 -0.200 0.000 1.012 138 Q CA -0.418 55.273 55.803 -0.186 0.000 0.824 138 Q CB 1.462 30.110 28.738 -0.151 0.000 1.290 138 Q HN 0.623 nan 8.270 nan 0.000 0.449 139 T N 4.681 119.281 114.554 0.077 0.000 2.786 139 T HA 0.493 4.858 4.350 0.026 0.000 0.283 139 T C -0.654 174.170 174.700 0.206 0.000 0.992 139 T CA -0.658 61.581 62.100 0.231 0.000 0.954 139 T CB 0.621 69.760 68.868 0.452 0.000 0.934 139 T HN 0.616 nan 8.240 nan 0.000 0.440 140 R N 2.783 123.392 120.500 0.182 0.000 2.803 140 R HA 0.788 5.144 4.340 0.026 0.000 0.276 140 R C -1.171 175.230 176.300 0.168 0.000 0.978 140 R CA -0.976 55.224 56.100 0.168 0.000 0.939 140 R CB 1.514 31.887 30.300 0.122 0.000 1.179 140 R HN 0.571 nan 8.270 nan 0.000 0.472 141 I N 2.526 123.198 120.570 0.170 0.000 2.498 141 I HA 0.439 4.625 4.170 0.026 0.000 0.301 141 I C -1.009 175.161 176.117 0.089 0.000 0.984 141 I CA -1.250 60.104 61.300 0.090 0.000 1.204 141 I CB 1.337 39.393 38.000 0.092 0.000 1.362 141 I HN 0.622 nan 8.210 nan 0.000 0.471 142 I N 7.205 127.727 120.570 -0.081 0.000 2.439 142 I HA 0.267 4.452 4.170 0.026 0.000 0.285 142 I C -1.299 174.677 176.117 -0.235 0.000 1.021 142 I CA -0.330 60.934 61.300 -0.061 0.000 1.091 142 I CB 1.335 39.305 38.000 -0.049 0.000 1.242 142 I HN 0.382 nan 8.210 nan 0.000 0.439 143 F N 4.621 124.546 119.950 -0.040 0.000 2.303 143 F HA 0.262 4.804 4.527 0.025 0.000 0.368 143 F C 1.334 177.007 175.800 -0.212 0.000 1.105 143 F CA -0.437 57.464 58.000 -0.165 0.000 1.153 143 F CB 0.613 39.463 39.000 -0.249 0.000 1.362 143 F HN 0.455 nan 8.300 nan 0.000 0.511 144 D N 2.286 122.596 120.400 -0.150 0.000 2.263 144 D HA 0.017 4.673 4.640 0.026 0.000 0.208 144 D C 1.043 177.171 176.300 -0.286 0.000 0.971 144 D CA 0.939 54.806 54.000 -0.222 0.000 0.867 144 D CB 0.359 40.974 40.800 -0.308 0.000 0.929 144 D HN 0.612 nan 8.370 nan 0.000 0.492 145 G N -0.498 108.080 108.800 -0.370 0.000 2.505 145 G HA2 0.430 4.405 3.960 0.026 0.000 0.292 145 G HA3 0.430 4.405 3.960 0.026 0.000 0.292 145 G C -1.473 173.180 174.900 -0.412 0.000 1.332 145 G CA -0.426 44.355 45.100 -0.531 0.000 1.286 145 G HN -0.054 nan 8.290 nan 0.000 0.606 146 V N 2.761 122.596 119.914 -0.132 0.000 2.525 146 V HA 0.496 4.632 4.120 0.026 0.000 0.299 146 V C -0.789 175.364 176.094 0.098 0.000 1.034 146 V CA -1.201 61.033 62.300 -0.111 0.000 0.863 146 V CB 1.909 33.405 31.823 -0.544 0.000 0.999 146 V HN 0.683 nan 8.190 nan 0.000 0.423 147 N N 2.612 121.382 118.700 0.117 0.000 2.469 147 N HA 0.305 5.061 4.740 0.026 0.000 0.253 147 N C 0.608 176.084 175.510 -0.057 0.000 0.970 147 N CA 0.182 53.235 53.050 0.004 0.000 0.940 147 N CB 2.046 40.408 38.487 -0.208 0.000 1.128 147 N HN 0.723 nan 8.380 nan 0.000 0.503 148 S N 1.725 117.429 115.700 0.008 0.000 2.578 148 S HA 0.568 5.053 4.470 0.026 0.000 0.228 148 S C 0.217 174.894 174.600 0.129 0.000 1.022 148 S CA -0.145 58.099 58.200 0.073 0.000 0.967 148 S CB 0.421 63.674 63.200 0.088 0.000 0.914 148 S HN 0.609 nan 8.310 nan 0.000 0.515 149 A N 1.038 123.949 122.820 0.150 0.000 2.604 149 A HA 0.744 5.080 4.320 0.026 0.000 0.295 149 A C -1.410 176.295 177.584 0.202 0.000 1.067 149 A CA -0.892 51.211 52.037 0.108 0.000 0.683 149 A CB 0.937 20.027 19.000 0.149 0.000 1.281 149 A HN 1.067 nan 8.150 nan 0.000 0.407 150 F N -0.168 119.632 119.950 -0.249 0.000 2.641 150 F HA 0.740 5.282 4.527 0.025 0.000 0.308 150 F C -1.057 174.653 175.800 -0.151 0.000 1.105 150 F CA -0.770 57.164 58.000 -0.109 0.000 0.964 150 F CB 1.015 39.931 39.000 -0.141 0.000 1.294 150 F HN 0.627 nan 8.300 nan 0.000 0.442 151 H N 2.179 121.347 119.070 0.163 0.000 2.479 151 H HA 0.687 5.258 4.556 0.026 0.000 0.335 151 H C -1.353 173.880 175.328 -0.158 0.000 1.142 151 H CA -0.729 55.294 56.048 -0.043 0.000 1.234 151 H CB 2.570 32.330 29.762 -0.003 0.000 1.503 151 H HN 0.769 nan 8.280 nan 0.000 0.510 152 L N 3.067 124.019 121.223 -0.452 0.000 2.349 152 L HA 0.326 4.681 4.340 0.026 0.000 0.278 152 L C -1.458 175.067 176.870 -0.576 0.000 0.996 152 L CA -0.470 54.145 54.840 -0.375 0.000 0.825 152 L CB 1.022 42.734 42.059 -0.578 0.000 1.243 152 L HN 0.496 nan 8.230 nan 0.000 0.412 153 W N 4.606 125.881 121.300 -0.041 0.000 2.627 153 W HA 0.577 5.252 4.660 0.026 0.000 0.339 153 W C -0.882 175.590 176.519 -0.078 0.000 1.058 153 W CA -0.778 56.532 57.345 -0.059 0.000 1.223 153 W CB 1.985 31.441 29.460 -0.008 0.000 1.389 153 W HN 0.522 nan 8.180 nan 0.000 0.541 154 C N 5.425 124.811 119.300 0.142 0.000 2.381 154 C HA 0.270 4.745 4.460 0.026 0.000 0.328 154 C C 0.107 175.227 174.990 0.217 0.000 1.190 154 C CA -0.446 58.657 59.018 0.142 0.000 1.369 154 C CB -0.784 26.985 27.740 0.048 0.000 2.029 154 C HN 0.788 nan 8.230 nan 0.000 0.448 155 N N 3.928 122.705 118.700 0.128 0.000 2.705 155 N HA -0.190 4.565 4.740 0.026 0.000 0.255 155 N C 1.055 176.630 175.510 0.109 0.000 1.008 155 N CA 1.870 54.969 53.050 0.081 0.000 0.742 155 N CB -1.233 37.299 38.487 0.075 0.000 0.906 155 N HN 1.783 nan 8.380 nan 0.000 0.541 156 G N -0.997 107.859 108.800 0.094 0.000 2.284 156 G HA2 -0.393 3.582 3.960 0.026 0.000 0.261 156 G HA3 -0.393 3.582 3.960 0.026 0.000 0.261 156 G C 0.192 175.269 174.900 0.295 0.000 0.997 156 G CA 0.773 45.927 45.100 0.090 0.000 0.621 156 G HN 0.583 nan 8.290 nan 0.000 0.534 157 R N -0.667 120.066 120.500 0.388 0.000 2.265 157 R HA 0.412 4.767 4.340 0.026 0.000 0.319 157 R C -0.120 176.522 176.300 0.570 0.000 1.006 157 R CA -0.818 55.583 56.100 0.500 0.000 0.880 157 R CB 0.869 31.449 30.300 0.467 0.000 1.077 157 R HN 0.273 nan 8.270 nan 0.000 0.454 158 W N 4.263 125.766 121.300 0.339 0.000 2.308 158 W HA 0.071 4.747 4.660 0.025 0.000 0.324 158 W C 0.064 176.506 176.519 -0.128 0.000 1.387 158 W CA -0.024 57.219 57.345 -0.169 0.000 1.250 158 W CB 0.662 30.001 29.460 -0.201 0.000 1.257 158 W HN 0.361 nan 8.180 nan 0.000 0.554 159 V N 5.463 124.618 119.914 -1.265 0.000 2.627 159 V HA 0.556 4.691 4.120 0.026 0.000 0.239 159 V C 1.079 176.190 176.094 -1.638 0.000 1.077 159 V CA 0.914 62.422 62.300 -1.320 0.000 1.103 159 V CB -0.664 30.392 31.823 -1.279 0.000 0.802 159 V HN 0.819 nan 8.190 nan 0.000 0.482 160 G N -1.737 105.891 108.800 -1.953 0.000 2.428 160 G HA2 0.501 4.476 3.960 0.026 0.000 0.304 160 G HA3 0.501 4.476 3.960 0.026 0.000 0.304 160 G C -2.426 172.016 174.900 -0.763 0.000 1.303 160 G CA -0.310 43.989 45.100 -1.335 0.000 0.825 160 G HN 0.078 nan 8.290 nan 0.000 0.484 161 Y N -0.589 119.440 120.300 -0.451 0.000 2.562 161 Y HA 0.684 5.249 4.550 0.025 0.000 0.345 161 Y C -0.123 175.549 175.900 -0.380 0.000 1.045 161 Y CA -0.065 57.717 58.100 -0.530 0.000 1.028 161 Y CB 2.347 40.609 38.460 -0.330 0.000 1.297 161 Y HN 1.171 nan 8.280 nan 0.000 0.463 162 G N 3.911 111.848 108.800 -1.439 0.000 2.733 162 G HA2 0.555 4.530 3.960 0.026 0.000 0.297 162 G HA3 0.555 4.530 3.960 0.026 0.000 0.297 162 G C -2.145 172.323 174.900 -0.721 0.000 1.422 162 G CA -0.801 43.800 45.100 -0.831 0.000 0.942 162 G HN 0.642 nan 8.290 nan 0.000 0.510 163 Q N -0.237 119.389 119.800 -0.290 0.000 2.873 163 Q HA 0.589 4.944 4.340 0.026 0.000 0.297 163 Q C -1.223 174.794 176.000 0.028 0.000 1.064 163 Q CA -0.840 54.913 55.803 -0.084 0.000 0.816 163 Q CB 2.353 31.090 28.738 -0.002 0.000 1.481 163 Q HN 0.667 nan 8.270 nan 0.000 0.488 164 D N -0.283 120.165 120.400 0.079 0.000 5.036 164 D HA -0.103 4.552 4.640 0.026 0.000 0.231 164 D C -0.557 175.809 176.300 0.110 0.000 1.396 164 D CA 0.550 54.608 54.000 0.097 0.000 1.180 164 D CB -0.410 40.429 40.800 0.065 0.000 0.614 164 D HN 0.536 nan 8.370 nan 0.000 0.300 165 S N 3.761 119.541 115.700 0.133 0.000 2.522 165 S HA -0.005 4.481 4.470 0.026 0.000 0.227 165 S C 1.513 176.231 174.600 0.197 0.000 0.986 165 S CA 0.439 58.740 58.200 0.169 0.000 0.929 165 S CB 0.332 63.618 63.200 0.143 0.000 0.769 165 S HN 0.483 nan 8.310 nan 0.000 0.529 166 R N 0.229 120.814 120.500 0.141 0.000 2.565 166 R HA 0.426 4.782 4.340 0.026 0.000 0.347 166 R C -0.550 175.799 176.300 0.082 0.000 1.010 166 R CA 0.054 56.234 56.100 0.133 0.000 1.126 166 R CB 0.257 30.665 30.300 0.180 0.000 1.331 166 R HN 0.314 nan 8.270 nan 0.000 0.552 167 L N 1.944 123.190 121.223 0.038 0.000 2.370 167 L HA 0.491 4.846 4.340 0.026 0.000 0.266 167 L C -2.347 174.496 176.870 -0.045 0.000 1.002 167 L CA -2.315 52.519 54.840 -0.010 0.000 0.818 167 L CB 2.856 44.907 42.059 -0.014 0.000 1.325 167 L HN -0.225 nan 8.230 nan 0.000 0.418 168 P HA 0.046 nan 4.420 nan 0.000 0.267 168 P C -0.839 176.417 177.300 -0.072 0.000 1.209 168 P CA -0.030 63.015 63.100 -0.092 0.000 0.763 168 P CB 0.847 32.456 31.700 -0.152 0.000 0.816 169 S N 2.876 118.593 115.700 0.028 0.000 2.442 169 S HA 0.278 4.764 4.470 0.026 0.000 0.297 169 S C -0.125 174.437 174.600 -0.064 0.000 1.131 169 S CA -0.541 57.653 58.200 -0.010 0.000 1.092 169 S CB 0.694 64.076 63.200 0.303 0.000 0.998 169 S HN 0.381 nan 8.310 nan 0.000 0.478 170 E N 2.030 121.991 120.200 -0.399 0.000 2.210 170 E HA 0.521 4.887 4.350 0.026 0.000 0.266 170 E C -1.455 174.800 176.600 -0.575 0.000 0.883 170 E CA -0.502 55.737 56.400 -0.269 0.000 0.761 170 E CB 1.608 31.254 29.700 -0.090 0.000 1.156 170 E HN 0.422 nan 8.360 nan 0.000 0.412 171 F N 0.750 120.756 119.950 0.094 0.000 2.556 171 F HA 0.203 4.746 4.527 0.026 0.000 0.314 171 F C 0.069 175.895 175.800 0.044 0.000 1.106 171 F CA -1.150 56.869 58.000 0.031 0.000 0.911 171 F CB 1.511 40.491 39.000 -0.033 0.000 1.190 171 F HN 0.284 nan 8.300 nan 0.000 0.448 172 D N 3.174 123.702 120.400 0.212 0.000 2.338 172 D HA 0.179 4.834 4.640 0.026 0.000 0.255 172 D C 0.402 176.840 176.300 0.229 0.000 1.237 172 D CA 0.390 54.502 54.000 0.187 0.000 0.883 172 D CB 0.803 41.696 40.800 0.156 0.000 1.087 172 D HN 0.561 nan 8.370 nan 0.000 0.485 173 L N 2.776 124.140 121.223 0.236 0.000 2.628 173 L HA 0.047 4.402 4.340 0.026 0.000 0.229 173 L C 2.051 179.146 176.870 0.375 0.000 1.137 173 L CA -0.163 54.853 54.840 0.294 0.000 0.909 173 L CB 0.034 42.233 42.059 0.234 0.000 1.137 173 L HN 0.267 nan 8.230 nan 0.000 0.470 174 S N 1.154 117.027 115.700 0.290 0.000 2.387 174 S HA -0.203 4.282 4.470 0.026 0.000 0.230 174 S C 1.935 176.644 174.600 0.183 0.000 1.035 174 S CA 1.677 60.008 58.200 0.218 0.000 1.014 174 S CB -0.028 63.261 63.200 0.148 0.000 0.836 174 S HN 0.562 nan 8.310 nan 0.000 0.466 175 A N -0.892 122.033 122.820 0.174 0.000 2.308 175 A HA 0.438 4.774 4.320 0.026 0.000 0.217 175 A C 1.170 178.660 177.584 -0.156 0.000 1.216 175 A CA -0.049 51.974 52.037 -0.023 0.000 0.864 175 A CB -0.236 18.682 19.000 -0.138 0.000 0.902 175 A HN 0.457 nan 8.150 nan 0.000 0.499 176 F N -0.573 119.419 119.950 0.070 0.000 2.694 176 F HA 0.377 4.919 4.527 0.026 0.000 0.292 176 F C 0.728 176.562 175.800 0.058 0.000 1.121 176 F CA -0.005 58.034 58.000 0.065 0.000 1.352 176 F CB 0.126 39.169 39.000 0.072 0.000 1.107 176 F HN -0.019 nan 8.300 nan 0.000 0.597 177 L N 1.105 122.473 121.223 0.242 0.000 2.416 177 L HA 0.516 4.871 4.340 0.026 0.000 0.262 177 L C 0.065 176.979 176.870 0.073 0.000 1.093 177 L CA -0.700 54.227 54.840 0.145 0.000 0.801 177 L CB 1.177 43.342 42.059 0.177 0.000 1.191 177 L HN 0.021 nan 8.230 nan 0.000 0.459 178 R N 1.061 121.568 120.500 0.012 0.000 2.740 178 R HA 0.788 5.143 4.340 0.026 0.000 0.273 178 R C -1.135 175.143 176.300 -0.036 0.000 0.998 178 R CA -0.952 55.145 56.100 -0.005 0.000 0.900 178 R CB 1.494 31.782 30.300 -0.020 0.000 1.223 178 R HN 0.544 nan 8.270 nan 0.000 0.466 179 A N 1.324 124.132 122.820 -0.021 0.000 2.540 179 A HA 0.481 4.816 4.320 0.026 0.000 0.239 179 A C 1.112 178.655 177.584 -0.069 0.000 1.061 179 A CA 1.146 53.162 52.037 -0.035 0.000 0.758 179 A CB -0.701 18.291 19.000 -0.013 0.000 0.991 179 A HN 1.382 nan 8.150 nan 0.000 0.502 180 G N 1.438 110.182 108.800 -0.094 0.000 2.496 180 G HA2 -0.138 3.837 3.960 0.026 0.000 0.243 180 G HA3 -0.138 3.837 3.960 0.026 0.000 0.243 180 G C -0.269 174.527 174.900 -0.173 0.000 1.176 180 G CA -0.016 45.018 45.100 -0.110 0.000 0.940 180 G HN 0.939 nan 8.290 nan 0.000 0.573 181 E N 2.311 122.412 120.200 -0.165 0.000 2.344 181 E HA 0.337 4.702 4.350 0.026 0.000 0.270 181 E C 0.182 176.601 176.600 -0.301 0.000 1.021 181 E CA 0.162 56.430 56.400 -0.220 0.000 0.887 181 E CB 0.490 30.100 29.700 -0.150 0.000 0.997 181 E HN 0.476 nan 8.360 nan 0.000 0.429 182 N N 2.294 120.688 118.700 -0.510 0.000 2.284 182 N HA 0.347 5.102 4.740 0.026 0.000 0.289 182 N C -0.753 174.432 175.510 -0.541 0.000 1.179 182 N CA -0.627 52.066 53.050 -0.595 0.000 0.774 182 N CB 2.788 40.712 38.487 -0.938 0.000 1.548 182 N HN 0.226 nan 8.380 nan 0.000 0.473 183 R N 1.895 122.251 120.500 -0.240 0.000 2.476 183 R HA 0.481 4.836 4.340 0.026 0.000 0.305 183 R C -1.032 175.307 176.300 0.064 0.000 0.965 183 R CA -0.478 55.580 56.100 -0.070 0.000 0.867 183 R CB 1.065 31.308 30.300 -0.095 0.000 1.176 183 R HN 0.496 nan 8.270 nan 0.000 0.447 184 L N 2.575 123.905 121.223 0.178 0.000 2.399 184 L HA 0.734 5.090 4.340 0.026 0.000 0.265 184 L C -0.142 176.775 176.870 0.078 0.000 1.089 184 L CA -0.852 54.097 54.840 0.182 0.000 0.802 184 L CB 1.763 43.960 42.059 0.230 0.000 1.180 184 L HN 0.749 nan 8.230 nan 0.000 0.454 185 A N 1.835 124.734 122.820 0.130 0.000 2.446 185 A HA 0.654 4.989 4.320 0.026 0.000 0.282 185 A C -1.172 176.705 177.584 0.488 0.000 1.102 185 A CA -0.404 51.635 52.037 0.004 0.000 0.737 185 A CB 1.321 19.860 19.000 -0.769 0.000 1.212 185 A HN 0.327 nan 8.150 nan 0.000 0.434 186 V N 3.402 123.763 119.914 0.746 0.000 2.357 186 V HA 0.448 4.583 4.120 0.026 0.000 0.284 186 V C 0.150 176.780 176.094 0.893 0.000 1.018 186 V CA -0.257 62.488 62.300 0.742 0.000 0.841 186 V CB 1.377 33.498 31.823 0.497 0.000 0.991 186 V HN 0.943 nan 8.190 nan 0.000 0.437 187 M N 6.362 126.479 119.600 0.862 0.000 2.111 187 M HA 0.472 4.967 4.480 0.026 0.000 0.351 187 M C -1.211 175.345 176.300 0.427 0.000 1.214 187 M CA -0.285 55.346 55.300 0.551 0.000 1.120 187 M CB 0.755 33.702 32.600 0.578 0.000 1.443 187 M HN 0.476 nan 8.290 nan 0.000 0.429 188 V N 6.731 126.875 119.914 0.384 0.000 2.407 188 V HA 0.360 4.495 4.120 0.026 0.000 0.278 188 V C -0.156 176.112 176.094 0.290 0.000 1.037 188 V CA -0.618 61.917 62.300 0.393 0.000 0.900 188 V CB 1.229 33.391 31.823 0.563 0.000 0.983 188 V HN 0.767 nan 8.190 nan 0.000 0.459 189 L N 4.873 126.204 121.223 0.180 0.000 2.295 189 L HA 0.540 4.895 4.340 0.026 0.000 0.285 189 L C 1.479 178.383 176.870 0.056 0.000 1.035 189 L CA -0.272 54.594 54.840 0.044 0.000 0.806 189 L CB 1.210 43.190 42.059 -0.133 0.000 1.214 189 L HN 0.582 nan 8.230 nan 0.000 0.426 190 R N 2.614 123.095 120.500 -0.031 0.000 2.066 190 R HA -0.039 4.317 4.340 0.026 0.000 0.232 190 R C -0.427 175.574 176.300 -0.500 0.000 1.131 190 R CA 1.245 57.103 56.100 -0.404 0.000 0.955 190 R CB 0.192 30.087 30.300 -0.675 0.000 0.851 190 R HN 0.589 nan 8.270 nan 0.000 0.432 191 W N 0.380 121.752 121.300 0.121 0.000 2.573 191 W HA 0.430 5.105 4.660 0.025 0.000 0.326 191 W C -0.369 176.260 176.519 0.184 0.000 1.049 191 W CA -0.825 56.591 57.345 0.119 0.000 1.220 191 W CB 1.733 31.258 29.460 0.109 0.000 1.373 191 W HN 0.032 nan 8.180 nan 0.000 0.507 192 S N -0.900 115.075 115.700 0.458 0.000 2.643 192 S HA 0.214 4.699 4.470 0.026 0.000 0.270 192 S C 0.132 174.980 174.600 0.413 0.000 1.166 192 S CA -0.469 58.019 58.200 0.480 0.000 0.815 192 S CB 1.152 64.624 63.200 0.453 0.000 1.139 192 S HN 0.622 nan 8.310 nan 0.000 0.472 193 D N 0.461 121.116 120.400 0.426 0.000 2.265 193 D HA 0.047 4.702 4.640 0.026 0.000 0.208 193 D C 1.733 178.357 176.300 0.540 0.000 0.977 193 D CA 1.292 55.597 54.000 0.508 0.000 0.871 193 D CB -0.686 40.285 40.800 0.286 0.000 0.925 193 D HN 0.712 nan 8.370 nan 0.000 0.485 194 G N 0.017 109.046 108.800 0.382 0.000 2.471 194 G HA2 -0.233 3.743 3.960 0.026 0.000 0.219 194 G HA3 -0.233 3.743 3.960 0.026 0.000 0.219 194 G C 1.686 176.770 174.900 0.307 0.000 1.125 194 G CA 0.625 45.922 45.100 0.329 0.000 0.775 194 G HN 0.308 nan 8.290 nan 0.000 0.548 195 S N 0.181 116.044 115.700 0.272 0.000 2.400 195 S HA -0.136 4.350 4.470 0.026 0.000 0.232 195 S C 1.951 176.651 174.600 0.167 0.000 1.025 195 S CA 0.943 59.270 58.200 0.212 0.000 0.993 195 S CB -0.410 62.915 63.200 0.208 0.000 0.808 195 S HN 0.519 nan 8.310 nan 0.000 0.478 196 Y N 1.253 121.679 120.300 0.209 0.000 2.333 196 Y HA 0.046 4.611 4.550 0.025 0.000 0.290 196 Y C 1.647 177.666 175.900 0.199 0.000 1.144 196 Y CA 0.629 58.785 58.100 0.092 0.000 1.228 196 Y CB -0.360 38.018 38.460 -0.137 0.000 0.985 196 Y HN 0.198 nan 8.280 nan 0.000 0.542 197 L N -0.310 121.117 121.223 0.340 0.000 2.653 197 L HA 0.135 4.490 4.340 0.026 0.000 0.231 197 L C -0.053 176.964 176.870 0.246 0.000 1.153 197 L CA 0.395 55.390 54.840 0.259 0.000 0.933 197 L CB 0.043 42.254 42.059 0.252 0.000 1.175 197 L HN 0.088 nan 8.230 nan 0.000 0.473 198 E N -0.131 120.230 120.200 0.268 0.000 4.052 198 E HA 0.056 4.421 4.350 0.026 0.000 0.219 198 E C -0.639 176.091 176.600 0.217 0.000 1.166 198 E CA -0.048 56.496 56.400 0.241 0.000 1.338 198 E CB 0.566 30.398 29.700 0.220 0.000 1.212 198 E HN 0.020 nan 8.360 nan 0.000 0.432 199 D N 1.162 121.655 120.400 0.155 0.000 2.894 199 D HA 0.051 4.707 4.640 0.026 0.000 0.248 199 D C -0.342 175.978 176.300 0.033 0.000 1.291 199 D CA -0.221 53.771 54.000 -0.013 0.000 0.840 199 D CB 0.220 40.809 40.800 -0.352 0.000 1.044 199 D HN 0.046 nan 8.370 nan 0.000 0.484 200 Q N 0.565 120.469 119.800 0.174 0.000 2.364 200 Q HA 0.116 4.471 4.340 0.026 0.000 0.267 200 Q C -0.256 175.873 176.000 0.214 0.000 0.999 200 Q CA 0.029 56.007 55.803 0.292 0.000 0.886 200 Q CB 0.778 29.843 28.738 0.547 0.000 1.243 200 Q HN 0.150 nan 8.270 nan 0.000 0.415 201 D N 3.546 124.090 120.400 0.240 0.000 2.429 201 D HA 0.162 4.817 4.640 0.026 0.000 0.253 201 D C -0.692 175.764 176.300 0.261 0.000 1.294 201 D CA 0.229 54.352 54.000 0.204 0.000 1.063 201 D CB -0.366 40.544 40.800 0.183 0.000 1.096 201 D HN 0.476 nan 8.370 nan 0.000 0.516 202 M N 0.644 120.367 119.600 0.204 0.000 2.949 202 M HA 0.394 4.889 4.480 0.026 0.000 0.270 202 M C -1.406 175.001 176.300 0.178 0.000 1.221 202 M CA -1.165 54.191 55.300 0.093 0.000 0.818 202 M CB 0.943 33.495 32.600 -0.081 0.000 1.635 202 M HN -0.050 nan 8.290 nan 0.000 0.492 203 W N 2.165 123.552 121.300 0.145 0.000 2.264 203 W HA 0.298 4.973 4.660 0.026 0.000 0.331 203 W C 0.218 176.756 176.519 0.033 0.000 1.364 203 W CA -0.012 57.402 57.345 0.114 0.000 1.253 203 W CB 0.363 29.829 29.460 0.011 0.000 1.215 203 W HN 0.290 nan 8.180 nan 0.000 0.561 204 R N 5.130 125.808 120.500 0.296 0.000 2.204 204 R HA 0.411 4.766 4.340 0.026 0.000 0.341 204 R C -0.084 176.234 176.300 0.029 0.000 1.035 204 R CA -0.192 56.010 56.100 0.169 0.000 0.887 204 R CB 0.174 30.649 30.300 0.291 0.000 1.114 204 R HN 0.565 nan 8.270 nan 0.000 0.473 205 M N 0.199 119.702 119.600 -0.160 0.000 2.739 205 M HA 0.529 5.024 4.480 0.026 0.000 0.284 205 M C -0.033 175.933 176.300 -0.556 0.000 1.103 205 M CA -0.800 54.281 55.300 -0.365 0.000 0.809 205 M CB 2.186 34.556 32.600 -0.383 0.000 1.708 205 M HN 0.631 nan 8.290 nan 0.000 0.481 206 S N -1.356 113.879 115.700 -0.774 0.000 2.636 206 S HA 0.920 5.406 4.470 0.026 0.000 0.266 206 S C -0.579 173.497 174.600 -0.873 0.000 1.147 206 S CA -0.265 57.399 58.200 -0.892 0.000 0.815 206 S CB 1.527 64.009 63.200 -1.197 0.000 1.119 206 S HN 1.505 nan 8.310 nan 0.000 0.470 207 G N -0.117 108.407 108.800 -0.461 0.000 2.384 207 G HA2 0.134 4.109 3.960 0.026 0.000 0.668 207 G HA3 0.134 4.109 3.960 0.026 0.000 0.668 207 G C -1.225 173.665 174.900 -0.018 0.000 1.280 207 G CA -0.599 44.545 45.100 0.074 0.000 0.992 207 G HN 1.240 nan 8.290 nan 0.000 0.512 208 I N 1.944 122.331 120.570 -0.305 0.000 2.241 208 I HA 0.269 4.455 4.170 0.026 0.000 0.294 208 I C 1.257 177.205 176.117 -0.282 0.000 1.145 208 I CA -0.205 60.839 61.300 -0.427 0.000 1.261 208 I CB -0.256 37.268 38.000 -0.794 0.000 1.475 208 I HN 0.513 nan 8.210 nan 0.000 0.533 209 F N 4.131 123.908 119.950 -0.287 0.000 2.727 209 F HA 0.439 4.981 4.527 0.025 0.000 0.302 209 F C 0.793 176.491 175.800 -0.170 0.000 1.097 209 F CA -0.477 57.386 58.000 -0.229 0.000 1.330 209 F CB -0.061 38.810 39.000 -0.214 0.000 1.084 209 F HN 0.122 nan 8.300 nan 0.000 0.578 210 R N 0.320 120.371 120.500 -0.749 0.000 3.006 210 R HA 0.255 4.611 4.340 0.026 0.000 0.235 210 R C -0.641 175.437 176.300 -0.369 0.000 1.362 210 R CA -1.111 54.661 56.100 -0.545 0.000 1.067 210 R CB 0.464 30.348 30.300 -0.694 0.000 1.396 210 R HN -0.037 nan 8.270 nan 0.000 0.504 211 D N 0.905 121.127 120.400 -0.296 0.000 2.443 211 D HA 0.120 4.776 4.640 0.026 0.000 0.239 211 D C -0.589 175.547 176.300 -0.274 0.000 1.136 211 D CA 0.361 54.224 54.000 -0.228 0.000 0.879 211 D CB 1.058 41.763 40.800 -0.158 0.000 1.195 211 D HN -0.007 nan 8.370 nan 0.000 0.443 212 V N 1.683 121.434 119.914 -0.272 0.000 2.495 212 V HA 0.511 4.647 4.120 0.026 0.000 0.298 212 V C 0.129 176.078 176.094 -0.243 0.000 1.031 212 V CA -0.536 61.540 62.300 -0.373 0.000 0.871 212 V CB 1.599 33.173 31.823 -0.415 0.000 0.988 212 V HN 0.723 nan 8.190 nan 0.000 0.432 213 S N 4.556 120.102 115.700 -0.256 0.000 2.618 213 S HA 0.847 5.332 4.470 0.026 0.000 0.277 213 S C -1.221 173.319 174.600 -0.099 0.000 1.138 213 S CA -0.939 57.181 58.200 -0.134 0.000 0.844 213 S CB 1.950 65.110 63.200 -0.066 0.000 1.127 213 S HN 0.444 nan 8.310 nan 0.000 0.474 214 L N 1.544 122.771 121.223 0.007 0.000 2.349 214 L HA 0.619 4.974 4.340 0.026 0.000 0.278 214 L C -1.412 175.645 176.870 0.313 0.000 0.996 214 L CA -0.789 54.139 54.840 0.147 0.000 0.825 214 L CB 1.708 43.857 42.059 0.151 0.000 1.243 214 L HN 0.647 nan 8.230 nan 0.000 0.412 215 L N 3.745 125.114 121.223 0.243 0.000 2.313 215 L HA 0.446 4.801 4.340 0.026 0.000 0.283 215 L C -0.532 176.357 176.870 0.031 0.000 1.013 215 L CA -0.088 54.833 54.840 0.135 0.000 0.816 215 L CB 1.211 43.314 42.059 0.074 0.000 1.236 215 L HN 0.472 nan 8.230 nan 0.000 0.419 216 H N 5.553 124.393 119.070 -0.384 0.000 2.519 216 H HA 0.432 5.004 4.556 0.026 0.000 0.316 216 H C -1.199 173.913 175.328 -0.361 0.000 1.065 216 H CA -0.580 55.128 56.048 -0.566 0.000 1.264 216 H CB 0.983 29.930 29.762 -1.359 0.000 1.413 216 H HN 0.512 nan 8.280 nan 0.000 0.465 217 K N 5.895 125.902 120.400 -0.655 0.000 2.259 217 K HA 0.364 4.699 4.320 0.026 0.000 0.249 217 K C -2.692 173.588 176.600 -0.534 0.000 0.942 217 K CA -2.110 53.907 56.287 -0.450 0.000 0.816 217 K CB 2.065 34.388 32.500 -0.296 0.000 1.155 217 K HN 0.489 nan 8.250 nan 0.000 0.428 218 P HA 0.117 nan 4.420 nan 0.000 0.272 218 P C 0.503 177.702 177.300 -0.168 0.000 1.230 218 P CA -0.125 62.864 63.100 -0.185 0.000 0.788 218 P CB 0.450 32.096 31.700 -0.090 0.000 0.949 219 T N -1.146 113.342 114.554 -0.110 0.000 2.788 219 T HA -0.061 4.305 4.350 0.026 0.000 0.268 219 T C 0.587 175.234 174.700 -0.088 0.000 1.044 219 T CA 1.549 63.597 62.100 -0.087 0.000 1.139 219 T CB -0.720 68.119 68.868 -0.048 0.000 0.867 219 T HN 0.439 nan 8.240 nan 0.000 0.454 220 T N 3.880 118.387 114.554 -0.079 0.000 2.727 220 T HA 0.408 4.774 4.350 0.026 0.000 0.298 220 T C -0.187 174.451 174.700 -0.103 0.000 0.942 220 T CA -0.580 61.464 62.100 -0.092 0.000 0.997 220 T CB 0.361 69.191 68.868 -0.064 0.000 0.917 220 T HN 0.501 nan 8.240 nan 0.000 0.487 221 Q N 2.352 122.074 119.800 -0.130 0.000 2.416 221 Q HA 0.603 4.958 4.340 0.026 0.000 0.281 221 Q C -1.149 174.758 176.000 -0.155 0.000 1.067 221 Q CA -1.142 54.566 55.803 -0.157 0.000 0.809 221 Q CB 1.452 30.076 28.738 -0.190 0.000 1.418 221 Q HN 0.490 nan 8.270 nan 0.000 0.411 222 I N 2.775 123.223 120.570 -0.204 0.000 2.494 222 I HA -0.021 4.165 4.170 0.026 0.000 0.289 222 I C 0.809 176.755 176.117 -0.285 0.000 1.106 222 I CA 0.116 61.297 61.300 -0.199 0.000 1.369 222 I CB 0.767 38.605 38.000 -0.270 0.000 1.410 222 I HN 0.884 nan 8.210 nan 0.000 0.523 223 S N 2.584 118.246 115.700 -0.064 0.000 2.503 223 S HA 0.177 4.662 4.470 0.026 0.000 0.215 223 S C 0.208 174.990 174.600 0.304 0.000 1.003 223 S CA -0.223 58.012 58.200 0.059 0.000 0.910 223 S CB 0.276 63.490 63.200 0.025 0.000 0.790 223 S HN 0.702 nan 8.310 nan 0.000 0.514 224 D N -0.218 120.359 120.400 0.295 0.000 2.706 224 D HA 0.536 5.191 4.640 0.026 0.000 0.227 224 D C -1.939 174.507 176.300 0.243 0.000 1.233 224 D CA -0.688 53.482 54.000 0.283 0.000 0.768 224 D CB 1.741 42.573 40.800 0.053 0.000 1.490 224 D HN 0.181 nan 8.370 nan 0.000 0.458 225 F N -0.203 119.732 119.950 -0.024 0.000 2.615 225 F HA 0.594 5.137 4.527 0.026 0.000 0.312 225 F C -1.569 174.206 175.800 -0.042 0.000 1.119 225 F CA -0.760 57.172 58.000 -0.112 0.000 0.979 225 F CB 1.157 40.174 39.000 0.028 0.000 1.266 225 F HN 0.251 nan 8.300 nan 0.000 0.444 226 H N 2.543 121.644 119.070 0.052 0.000 2.646 226 H HA 0.676 5.248 4.556 0.027 0.000 0.328 226 H C -1.083 174.249 175.328 0.007 0.000 0.998 226 H CA -1.387 54.630 56.048 -0.053 0.000 1.225 226 H CB 2.209 31.934 29.762 -0.062 0.000 1.457 226 H HN 0.622 nan 8.280 nan 0.000 0.505 227 V N 2.621 122.595 119.914 0.100 0.000 2.439 227 V HA 0.667 4.803 4.120 0.026 0.000 0.282 227 V C 0.106 176.174 176.094 -0.042 0.000 1.039 227 V CA -0.464 61.857 62.300 0.035 0.000 0.913 227 V CB 1.140 32.981 31.823 0.030 0.000 0.983 227 V HN 0.928 nan 8.190 nan 0.000 0.460 228 A N 3.330 126.100 122.820 -0.083 0.000 2.475 228 A HA 0.903 5.238 4.320 0.026 0.000 0.301 228 A C -0.249 177.210 177.584 -0.209 0.000 1.059 228 A CA -0.494 51.473 52.037 -0.116 0.000 0.710 228 A CB 2.126 21.084 19.000 -0.069 0.000 1.288 228 A HN 0.901 nan 8.150 nan 0.000 0.408 229 T N -0.358 114.051 114.554 -0.243 0.000 2.841 229 T HA 0.749 5.114 4.350 0.026 0.000 0.285 229 T C -0.463 173.992 174.700 -0.409 0.000 0.991 229 T CA -0.794 61.056 62.100 -0.417 0.000 0.966 229 T CB 1.063 69.603 68.868 -0.546 0.000 0.962 229 T HN 1.034 nan 8.240 nan 0.000 0.438 230 R N 1.718 121.890 120.500 -0.548 0.000 2.807 230 R HA 0.844 5.199 4.340 0.026 0.000 0.276 230 R C -1.671 174.266 176.300 -0.605 0.000 0.979 230 R CA -1.016 54.847 56.100 -0.395 0.000 0.928 230 R CB 1.379 31.591 30.300 -0.147 0.000 1.191 230 R HN 0.478 nan 8.270 nan 0.000 0.471 231 F N 0.467 120.400 119.950 -0.027 0.000 2.611 231 F HA 0.386 4.927 4.527 0.024 0.000 0.324 231 F C 0.385 176.054 175.800 -0.219 0.000 1.061 231 F CA -1.078 56.854 58.000 -0.114 0.000 0.954 231 F CB 1.373 40.251 39.000 -0.203 0.000 1.301 231 F HN 0.684 nan 8.300 nan 0.000 0.482 232 N N 0.226 118.912 118.700 -0.024 0.000 2.322 232 N HA 0.007 4.763 4.740 0.026 0.000 0.270 232 N C 0.467 175.827 175.510 -0.249 0.000 1.286 232 N CA 0.041 53.032 53.050 -0.097 0.000 0.948 232 N CB 0.085 38.548 38.487 -0.040 0.000 1.164 232 N HN 0.691 nan 8.380 nan 0.000 0.551 233 D N -1.356 118.949 120.400 -0.158 0.000 2.178 233 D HA -0.216 4.440 4.640 0.026 0.000 0.201 233 D C 0.579 176.795 176.300 -0.140 0.000 0.980 233 D CA 1.463 55.371 54.000 -0.153 0.000 0.842 233 D CB -0.485 40.286 40.800 -0.048 0.000 0.948 233 D HN 0.736 nan 8.370 nan 0.000 0.472 234 D N -1.333 119.034 120.400 -0.056 0.000 2.431 234 D HA -0.015 4.640 4.640 0.026 0.000 0.213 234 D C 0.105 176.576 176.300 0.285 0.000 1.130 234 D CA -0.807 53.273 54.000 0.133 0.000 0.834 234 D CB -0.834 40.033 40.800 0.111 0.000 0.985 234 D HN 0.187 nan 8.370 nan 0.000 0.504 235 F N 0.569 120.564 119.950 0.075 0.000 3.018 235 F HA -0.275 4.266 4.527 0.023 0.000 0.287 235 F C 1.591 177.455 175.800 0.106 0.000 0.813 235 F CA 0.777 58.825 58.000 0.080 0.000 1.209 235 F CB -2.531 36.411 39.000 -0.097 0.000 1.321 235 F HN 0.180 nan 8.300 nan 0.000 0.477 236 S N -1.321 114.493 115.700 0.190 0.000 2.528 236 S HA 0.272 4.757 4.470 0.026 0.000 0.219 236 S C 0.666 175.328 174.600 0.104 0.000 0.985 236 S CA -0.018 58.260 58.200 0.130 0.000 0.914 236 S CB 0.401 63.652 63.200 0.086 0.000 0.776 236 S HN 0.455 nan 8.310 nan 0.000 0.526 237 R N 0.330 120.902 120.500 0.120 0.000 2.686 237 R HA 0.816 5.171 4.340 0.026 0.000 0.283 237 R C -1.261 175.104 176.300 0.108 0.000 0.978 237 R CA -0.318 55.827 56.100 0.074 0.000 0.897 237 R CB 2.233 32.549 30.300 0.026 0.000 1.192 237 R HN 0.259 nan 8.270 nan 0.000 0.457 238 A N 1.649 124.480 122.820 0.019 0.000 2.498 238 A HA 0.704 5.039 4.320 0.026 0.000 0.298 238 A C -1.287 176.245 177.584 -0.086 0.000 1.075 238 A CA -0.682 51.299 52.037 -0.093 0.000 0.714 238 A CB 1.982 20.950 19.000 -0.053 0.000 1.299 238 A HN 0.361 nan 8.150 nan 0.000 0.407 239 V N 2.065 121.890 119.914 -0.147 0.000 2.376 239 V HA 0.370 4.505 4.120 0.026 0.000 0.287 239 V C -0.227 175.800 176.094 -0.111 0.000 1.015 239 V CA -0.318 61.926 62.300 -0.093 0.000 0.834 239 V CB 1.155 32.922 31.823 -0.092 0.000 1.001 239 V HN 0.819 nan 8.190 nan 0.000 0.428 240 L N 4.311 125.510 121.223 -0.041 0.000 2.367 240 L HA 0.473 4.829 4.340 0.026 0.000 0.275 240 L C 0.202 177.022 176.870 -0.083 0.000 1.129 240 L CA 0.371 55.148 54.840 -0.105 0.000 0.839 240 L CB 0.795 42.823 42.059 -0.052 0.000 1.133 240 L HN 0.780 nan 8.230 nan 0.000 0.453 241 E N 4.257 124.399 120.200 -0.096 0.000 2.185 241 E HA 0.598 4.964 4.350 0.026 0.000 0.261 241 E C -1.412 175.172 176.600 -0.026 0.000 0.879 241 E CA -0.726 55.641 56.400 -0.056 0.000 0.756 241 E CB 1.540 31.205 29.700 -0.057 0.000 1.152 241 E HN 0.705 nan 8.360 nan 0.000 0.416 242 A N 4.713 127.529 122.820 -0.006 0.000 2.285 242 A HA 0.279 4.614 4.320 0.026 0.000 0.310 242 A C -0.486 177.109 177.584 0.018 0.000 1.266 242 A CA -0.648 51.409 52.037 0.034 0.000 0.832 242 A CB 0.848 19.878 19.000 0.050 0.000 1.163 242 A HN 0.721 nan 8.150 nan 0.000 0.499 243 E N 2.719 122.934 120.200 0.025 0.000 2.229 243 E HA 0.475 4.840 4.350 0.026 0.000 0.283 243 E C -1.147 175.437 176.600 -0.027 0.000 1.030 243 E CA -0.249 56.143 56.400 -0.015 0.000 0.836 243 E CB 0.867 30.554 29.700 -0.020 0.000 1.068 243 E HN 0.372 nan 8.360 nan 0.000 0.401 244 V N 4.871 124.774 119.914 -0.018 0.000 2.555 244 V HA 0.314 4.449 4.120 0.026 0.000 0.302 244 V C -0.451 175.693 176.094 0.082 0.000 1.038 244 V CA -0.787 61.531 62.300 0.029 0.000 0.887 244 V CB 1.698 33.517 31.823 -0.008 0.000 0.991 244 V HN 0.739 nan 8.190 nan 0.000 0.434 245 Q N 4.234 124.092 119.800 0.095 0.000 2.375 245 Q HA 0.825 5.181 4.340 0.026 0.000 0.271 245 Q C -0.944 175.107 176.000 0.086 0.000 1.074 245 Q CA -0.898 54.958 55.803 0.089 0.000 0.808 245 Q CB 2.864 31.584 28.738 -0.031 0.000 1.327 245 Q HN 0.822 nan 8.270 nan 0.000 0.441 246 M N -0.823 118.771 119.600 -0.010 0.000 2.690 246 M HA 0.807 5.302 4.480 0.026 0.000 0.302 246 M C -1.343 174.859 176.300 -0.164 0.000 1.234 246 M CA -0.364 54.850 55.300 -0.142 0.000 0.853 246 M CB 1.730 34.079 32.600 -0.419 0.000 1.748 246 M HN 0.593 nan 8.290 nan 0.000 0.469 247 C N 0.338 119.545 119.300 -0.155 0.000 2.913 247 C HA 1.031 5.506 4.460 0.026 0.000 0.322 247 C C 0.713 175.613 174.990 -0.150 0.000 1.292 247 C CA 0.523 59.463 59.018 -0.130 0.000 1.649 247 C CB 1.199 28.890 27.740 -0.081 0.000 2.139 247 C HN 1.451 nan 8.230 nan 0.000 0.475 248 G N 1.191 109.919 108.800 -0.119 0.000 2.627 248 G HA2 -0.076 3.899 3.960 0.026 0.000 0.214 248 G HA3 -0.076 3.899 3.960 0.026 0.000 0.214 248 G C -0.809 174.014 174.900 -0.130 0.000 1.331 248 G CA -0.251 44.784 45.100 -0.109 0.000 0.891 248 G HN 0.979 nan 8.290 nan 0.000 0.539 249 E N -0.267 119.866 120.200 -0.112 0.000 2.257 249 E HA 0.436 4.801 4.350 0.026 0.000 0.278 249 E C 0.685 177.178 176.600 -0.178 0.000 1.049 249 E CA -0.470 55.860 56.400 -0.116 0.000 0.876 249 E CB 0.229 29.884 29.700 -0.074 0.000 1.035 249 E HN 0.483 nan 8.360 nan 0.000 0.419 250 L N 5.385 126.492 121.223 -0.194 0.000 2.410 250 L HA 0.238 4.593 4.340 0.026 0.000 0.273 250 L C 0.393 177.122 176.870 -0.235 0.000 1.152 250 L CA 0.130 54.825 54.840 -0.241 0.000 0.855 250 L CB 0.285 42.227 42.059 -0.195 0.000 1.129 250 L HN 0.454 nan 8.230 nan 0.000 0.463 251 R N 1.825 122.129 120.500 -0.327 0.000 2.673 251 R HA 0.198 4.553 4.340 0.026 0.000 0.281 251 R C -0.168 175.895 176.300 -0.396 0.000 0.991 251 R CA -0.808 55.011 56.100 -0.467 0.000 0.896 251 R CB 1.632 31.320 30.300 -1.020 0.000 1.201 251 R HN 0.504 nan 8.270 nan 0.000 0.457 252 D N 1.045 121.297 120.400 -0.246 0.000 2.218 252 D HA -0.151 4.505 4.640 0.026 0.000 0.204 252 D C 1.570 177.841 176.300 -0.050 0.000 0.976 252 D CA 1.599 55.543 54.000 -0.093 0.000 0.853 252 D CB 0.116 40.908 40.800 -0.013 0.000 0.939 252 D HN 0.590 nan 8.370 nan 0.000 0.481 253 Y N -0.011 120.298 120.300 0.015 0.000 2.561 253 Y HA 0.209 4.775 4.550 0.026 0.000 0.291 253 Y C 0.820 176.717 175.900 -0.006 0.000 1.141 253 Y CA -0.361 57.743 58.100 0.007 0.000 1.303 253 Y CB -0.894 37.571 38.460 0.008 0.000 1.015 253 Y HN -0.196 nan 8.280 nan 0.000 0.547 254 L N 3.084 124.230 121.223 -0.128 0.000 2.456 254 L HA 0.229 4.584 4.340 0.026 0.000 0.272 254 L C 0.145 176.992 176.870 -0.038 0.000 1.189 254 L CA 0.161 54.995 54.840 -0.010 0.000 0.846 254 L CB 0.356 42.425 42.059 0.017 0.000 1.111 254 L HN 0.205 nan 8.230 nan 0.000 0.475 255 R N 2.343 122.707 120.500 -0.226 0.000 2.698 255 R HA 0.600 4.956 4.340 0.026 0.000 0.275 255 R C -1.448 174.539 176.300 -0.522 0.000 1.001 255 R CA -0.811 55.016 56.100 -0.455 0.000 0.896 255 R CB 2.146 32.061 30.300 -0.641 0.000 1.218 255 R HN 0.260 nan 8.270 nan 0.000 0.462 256 V N 1.706 121.366 119.914 -0.424 0.000 2.448 256 V HA 0.412 4.547 4.120 0.026 0.000 0.295 256 V C -0.147 175.910 176.094 -0.063 0.000 1.025 256 V CA -0.484 61.666 62.300 -0.250 0.000 0.859 256 V CB 2.035 33.627 31.823 -0.385 0.000 0.988 256 V HN 0.703 nan 8.190 nan 0.000 0.431 257 T N 4.565 119.184 114.554 0.109 0.000 2.779 257 T HA 0.559 4.924 4.350 0.026 0.000 0.280 257 T C -0.382 174.332 174.700 0.024 0.000 0.987 257 T CA -0.363 61.792 62.100 0.093 0.000 0.966 257 T CB 1.551 70.490 68.868 0.119 0.000 0.933 257 T HN 0.328 nan 8.240 nan 0.000 0.442 258 V N 4.093 124.006 119.914 -0.002 0.000 2.357 258 V HA 0.597 4.732 4.120 0.026 0.000 0.284 258 V C 0.139 176.238 176.094 0.009 0.000 1.018 258 V CA -0.767 61.532 62.300 -0.001 0.000 0.841 258 V CB 1.360 33.173 31.823 -0.016 0.000 0.991 258 V HN 1.050 nan 8.190 nan 0.000 0.437 259 S N 5.498 121.228 115.700 0.051 0.000 2.503 259 S HA 0.848 5.334 4.470 0.026 0.000 0.301 259 S C -1.061 173.572 174.600 0.055 0.000 1.087 259 S CA -0.762 57.446 58.200 0.013 0.000 1.042 259 S CB 2.128 65.369 63.200 0.069 0.000 1.043 259 S HN 0.501 nan 8.310 nan 0.000 0.489 260 L N 2.427 123.589 121.223 -0.101 0.000 2.322 260 L HA 0.781 5.136 4.340 0.026 0.000 0.281 260 L C -1.915 174.886 176.870 -0.116 0.000 1.014 260 L CA -0.391 54.471 54.840 0.037 0.000 0.815 260 L CB 0.956 43.058 42.059 0.071 0.000 1.247 260 L HN 0.892 nan 8.230 nan 0.000 0.421 261 W N 4.196 125.603 121.300 0.179 0.000 2.739 261 W HA 0.520 5.196 4.660 0.025 0.000 0.331 261 W C -0.586 176.026 176.519 0.155 0.000 1.049 261 W CA -0.443 56.980 57.345 0.131 0.000 1.234 261 W CB 1.393 30.881 29.460 0.047 0.000 1.404 261 W HN 0.399 nan 8.180 nan 0.000 0.477 262 Q N 3.230 123.181 119.800 0.252 0.000 2.394 262 Q HA 0.476 4.831 4.340 0.026 0.000 0.259 262 Q C 0.885 176.907 176.000 0.037 0.000 1.021 262 Q CA 0.643 56.415 55.803 -0.052 0.000 0.805 262 Q CB 0.883 29.477 28.738 -0.240 0.000 1.226 262 Q HN 0.817 nan 8.270 nan 0.000 0.476 263 G N 4.195 113.012 108.800 0.029 0.000 2.596 263 G HA2 -0.375 3.601 3.960 0.026 0.000 0.304 263 G HA3 -0.375 3.601 3.960 0.026 0.000 0.304 263 G C 0.374 175.346 174.900 0.121 0.000 1.189 263 G CA 0.617 45.742 45.100 0.042 0.000 0.986 263 G HN 0.732 nan 8.290 nan 0.000 0.548 264 E N 0.549 120.825 120.200 0.127 0.000 2.498 264 E HA 0.198 4.564 4.350 0.026 0.000 0.203 264 E C 0.180 176.989 176.600 0.349 0.000 1.013 264 E CA 0.341 56.858 56.400 0.196 0.000 0.927 264 E CB 0.521 30.268 29.700 0.078 0.000 1.012 264 E HN 0.327 nan 8.360 nan 0.000 0.482 265 T N 2.017 116.717 114.554 0.242 0.000 2.729 265 T HA 0.065 4.430 4.350 0.026 0.000 0.296 265 T C -0.122 174.616 174.700 0.062 0.000 0.928 265 T CA -0.110 62.072 62.100 0.136 0.000 1.045 265 T CB 1.131 70.029 68.868 0.052 0.000 0.902 265 T HN 0.052 nan 8.240 nan 0.000 0.500 266 Q N 3.263 122.914 119.800 -0.249 0.000 2.295 266 Q HA 0.252 4.608 4.340 0.026 0.000 0.259 266 Q C 1.008 176.780 176.000 -0.381 0.000 0.976 266 Q CA -0.492 54.841 55.803 -0.783 0.000 0.923 266 Q CB 0.817 28.721 28.738 -1.391 0.000 1.185 266 Q HN 0.691 nan 8.270 nan 0.000 0.410 267 V N 1.151 120.903 119.914 -0.269 0.000 2.825 267 V HA 0.534 4.669 4.120 0.026 0.000 0.246 267 V C 0.408 176.411 176.094 -0.150 0.000 1.068 267 V CA 0.802 63.026 62.300 -0.126 0.000 1.088 267 V CB -0.044 31.786 31.823 0.012 0.000 0.733 267 V HN 0.660 nan 8.190 nan 0.000 0.468 268 A N -0.956 121.743 122.820 -0.202 0.000 2.610 268 A HA 0.832 5.167 4.320 0.026 0.000 0.291 268 A C -0.661 176.815 177.584 -0.181 0.000 1.086 268 A CA 0.193 52.137 52.037 -0.155 0.000 0.677 268 A CB 1.669 20.614 19.000 -0.093 0.000 1.278 268 A HN 0.649 nan 8.150 nan 0.000 0.414 269 S N -1.132 114.493 115.700 -0.124 0.000 2.542 269 S HA 0.733 5.218 4.470 0.026 0.000 0.276 269 S C -0.666 173.898 174.600 -0.060 0.000 1.148 269 S CA 0.221 58.363 58.200 -0.096 0.000 0.886 269 S CB 1.530 64.661 63.200 -0.114 0.000 1.109 269 S HN 2.329 nan 8.310 nan 0.000 0.458 270 G N 1.718 110.494 108.800 -0.040 0.000 2.706 270 G HA2 0.659 4.635 3.960 0.026 0.000 0.297 270 G HA3 0.659 4.635 3.960 0.026 0.000 0.297 270 G C -1.417 173.472 174.900 -0.018 0.000 1.403 270 G CA -0.429 44.652 45.100 -0.032 0.000 0.954 270 G HN 0.712 nan 8.290 nan 0.000 0.500 271 T N -0.164 114.382 114.554 -0.013 0.000 2.893 271 T HA 0.847 5.212 4.350 0.026 0.000 0.293 271 T C -0.322 174.353 174.700 -0.041 0.000 1.027 271 T CA -0.133 61.966 62.100 -0.001 0.000 0.988 271 T CB 1.848 70.756 68.868 0.068 0.000 1.043 271 T HN 1.535 nan 8.240 nan 0.000 0.461 272 A N 3.427 126.191 122.820 -0.094 0.000 2.612 272 A HA 0.934 5.269 4.320 0.026 0.000 0.293 272 A C -3.043 174.426 177.584 -0.192 0.000 1.075 272 A CA -1.629 50.338 52.037 -0.117 0.000 0.680 272 A CB 1.286 20.218 19.000 -0.114 0.000 1.279 272 A HN 0.548 nan 8.150 nan 0.000 0.411 273 P HA 0.498 nan 4.420 nan 0.000 0.276 273 P C -0.522 176.672 177.300 -0.177 0.000 1.261 273 P CA -0.235 62.783 63.100 -0.137 0.000 0.800 273 P CB 0.350 32.028 31.700 -0.038 0.000 1.066 274 F N -0.361 119.548 119.950 -0.069 0.000 2.490 274 F HA 0.440 4.982 4.527 0.025 0.000 0.336 274 F C 1.535 177.316 175.800 -0.031 0.000 1.178 274 F CA 1.668 59.636 58.000 -0.052 0.000 1.301 274 F CB -0.096 38.866 39.000 -0.064 0.000 1.175 274 F HN 0.615 nan 8.300 nan 0.000 0.593 275 G N 1.240 110.168 108.800 0.212 0.000 3.152 275 G HA2 0.343 4.318 3.960 0.026 0.000 0.666 275 G HA3 0.343 4.318 3.960 0.026 0.000 0.666 275 G C -0.433 174.517 174.900 0.084 0.000 1.205 275 G CA -0.759 44.414 45.100 0.122 0.000 1.178 275 G HN 1.052 nan 8.290 nan 0.000 0.510 276 G N 0.731 109.598 108.800 0.112 0.000 2.547 276 G HA2 0.754 4.729 3.960 0.026 0.000 0.291 276 G HA3 0.754 4.729 3.960 0.026 0.000 0.291 276 G C 0.487 175.429 174.900 0.070 0.000 1.211 276 G CA 0.017 45.172 45.100 0.092 0.000 0.950 276 G HN 1.234 nan 8.290 nan 0.000 0.504 277 E N -0.930 119.303 120.200 0.056 0.000 2.442 277 E HA 0.074 4.439 4.350 0.026 0.000 0.260 277 E C -0.287 176.336 176.600 0.038 0.000 1.148 277 E CA -0.362 56.060 56.400 0.037 0.000 0.976 277 E CB 0.739 30.456 29.700 0.029 0.000 0.967 277 E HN 0.283 nan 8.360 nan 0.000 0.454 278 I N 2.371 122.951 120.570 0.017 0.000 2.662 278 I HA -0.131 4.054 4.170 0.026 0.000 0.285 278 I C 0.940 177.060 176.117 0.005 0.000 1.161 278 I CA -0.005 61.296 61.300 0.001 0.000 1.415 278 I CB 0.278 38.274 38.000 -0.006 0.000 1.385 278 I HN 0.623 nan 8.210 nan 0.000 0.552 279 I N 4.715 125.279 120.570 -0.010 0.000 2.556 279 I HA 0.010 4.196 4.170 0.026 0.000 0.251 279 I C 0.717 176.823 176.117 -0.018 0.000 1.105 279 I CA 1.186 62.485 61.300 -0.002 0.000 1.436 279 I CB -0.803 37.190 38.000 -0.012 0.000 1.139 279 I HN 0.705 nan 8.210 nan 0.000 0.438 280 D N -1.820 118.556 120.400 -0.041 0.000 3.057 280 D HA 0.121 4.777 4.640 0.026 0.000 0.328 280 D C 0.515 176.793 176.300 -0.036 0.000 1.317 280 D CA -0.442 53.537 54.000 -0.034 0.000 0.973 280 D CB 0.524 41.302 40.800 -0.037 0.000 1.424 280 D HN -0.275 nan 8.370 nan 0.000 0.569 281 E N -0.978 119.204 120.200 -0.031 0.000 2.171 281 E HA -0.086 4.280 4.350 0.026 0.000 0.197 281 E C 1.483 178.062 176.600 -0.036 0.000 0.997 281 E CA 1.114 57.498 56.400 -0.028 0.000 0.810 281 E CB -0.019 29.668 29.700 -0.022 0.000 0.738 281 E HN 0.208 nan 8.360 nan 0.000 0.467 282 R N -0.430 120.040 120.500 -0.050 0.000 2.310 282 R HA 0.247 4.603 4.340 0.026 0.000 0.202 282 R C 0.953 177.211 176.300 -0.071 0.000 0.933 282 R CA 0.761 56.825 56.100 -0.060 0.000 1.054 282 R CB 0.376 30.633 30.300 -0.071 0.000 0.985 282 R HN 0.238 nan 8.270 nan 0.000 0.489 283 G N -0.702 108.056 108.800 -0.070 0.000 2.460 283 G HA2 -0.130 3.845 3.960 0.026 0.000 0.207 283 G HA3 -0.130 3.845 3.960 0.026 0.000 0.207 283 G C -0.167 174.679 174.900 -0.090 0.000 1.170 283 G CA -0.575 44.486 45.100 -0.065 0.000 1.151 283 G HN 0.513 nan 8.290 nan 0.000 0.575 284 G N -1.898 106.848 108.800 -0.090 0.000 3.015 284 G HA2 0.642 4.617 3.960 0.026 0.000 0.281 284 G HA3 0.642 4.617 3.960 0.026 0.000 0.281 284 G C -1.417 173.396 174.900 -0.145 0.000 1.386 284 G CA -0.700 44.342 45.100 -0.096 0.000 0.959 284 G HN 0.767 nan 8.290 nan 0.000 0.522 285 Y N 1.116 121.427 120.300 0.018 0.000 2.584 285 Y HA 0.374 4.938 4.550 0.025 0.000 0.351 285 Y C 1.538 177.458 175.900 0.033 0.000 1.030 285 Y CA 0.339 58.453 58.100 0.022 0.000 1.332 285 Y CB 1.366 39.845 38.460 0.031 0.000 1.148 285 Y HN 0.540 nan 8.280 nan 0.000 0.528 286 A N 1.968 124.863 122.820 0.124 0.000 2.066 286 A HA -0.145 4.190 4.320 0.026 0.000 0.218 286 A C 1.511 179.151 177.584 0.093 0.000 1.157 286 A CA 1.361 53.451 52.037 0.087 0.000 0.670 286 A CB -0.282 18.732 19.000 0.023 0.000 0.804 286 A HN 0.784 nan 8.150 nan 0.000 0.453 287 D N -1.003 119.452 120.400 0.092 0.000 2.342 287 D HA 0.114 4.770 4.640 0.026 0.000 0.221 287 D C 0.559 176.935 176.300 0.126 0.000 1.101 287 D CA -0.019 53.963 54.000 -0.030 0.000 0.837 287 D CB -0.058 40.704 40.800 -0.063 0.000 0.938 287 D HN 0.360 nan 8.370 nan 0.000 0.508 288 R N -0.755 119.918 120.500 0.288 0.000 2.854 288 R HA 0.755 5.111 4.340 0.026 0.000 0.271 288 R C -1.515 174.935 176.300 0.251 0.000 0.994 288 R CA -1.112 55.154 56.100 0.277 0.000 0.945 288 R CB 3.038 33.382 30.300 0.073 0.000 1.194 288 R HN -0.022 nan 8.270 nan 0.000 0.476 289 V N 0.315 120.272 119.914 0.073 0.000 3.087 289 V HA 0.524 4.659 4.120 0.026 0.000 0.306 289 V C -1.486 174.567 176.094 -0.069 0.000 1.187 289 V CA -0.320 61.938 62.300 -0.071 0.000 0.999 289 V CB 2.836 34.474 31.823 -0.309 0.000 1.049 289 V HN 0.803 nan 8.190 nan 0.000 0.431 290 T N 6.902 121.422 114.554 -0.057 0.000 2.847 290 T HA 0.542 4.907 4.350 0.026 0.000 0.291 290 T C -0.983 173.686 174.700 -0.052 0.000 0.998 290 T CA -0.382 61.693 62.100 -0.042 0.000 0.967 290 T CB 0.930 69.787 68.868 -0.018 0.000 0.954 290 T HN 0.397 nan 8.240 nan 0.000 0.441 291 L N 3.668 124.859 121.223 -0.053 0.000 2.307 291 L HA 0.565 4.920 4.340 0.026 0.000 0.282 291 L C 0.545 177.392 176.870 -0.039 0.000 1.051 291 L CA -0.251 54.559 54.840 -0.050 0.000 0.804 291 L CB 0.993 43.019 42.059 -0.054 0.000 1.197 291 L HN 0.534 nan 8.230 nan 0.000 0.431 292 R N 4.258 124.734 120.500 -0.039 0.000 2.439 292 R HA 0.708 5.063 4.340 0.026 0.000 0.310 292 R C -1.180 175.097 176.300 -0.038 0.000 0.955 292 R CA -0.629 55.448 56.100 -0.039 0.000 0.853 292 R CB 1.955 32.232 30.300 -0.038 0.000 1.171 292 R HN 0.469 nan 8.270 nan 0.000 0.449 293 L N 2.525 123.726 121.223 -0.036 0.000 2.356 293 L HA 0.429 4.784 4.340 0.026 0.000 0.277 293 L C -0.141 176.710 176.870 -0.031 0.000 0.996 293 L CA -1.019 53.801 54.840 -0.033 0.000 0.822 293 L CB 1.788 43.830 42.059 -0.027 0.000 1.256 293 L HN 0.460 nan 8.230 nan 0.000 0.413 294 N N 1.923 120.600 118.700 -0.039 0.000 2.520 294 N HA 0.315 5.071 4.740 0.026 0.000 0.273 294 N C -0.918 174.558 175.510 -0.056 0.000 1.155 294 N CA -0.015 53.009 53.050 -0.043 0.000 0.967 294 N CB 2.250 40.712 38.487 -0.041 0.000 1.092 294 N HN 0.210 nan 8.380 nan 0.000 0.457 295 V N 2.484 122.355 119.914 -0.073 0.000 2.483 295 V HA 0.192 4.328 4.120 0.026 0.000 0.297 295 V C -0.147 175.883 176.094 -0.107 0.000 1.027 295 V CA -0.864 61.355 62.300 -0.136 0.000 0.855 295 V CB 1.951 33.587 31.823 -0.311 0.000 0.995 295 V HN 0.469 nan 8.190 nan 0.000 0.424 296 E N 3.852 124.006 120.200 -0.078 0.000 2.227 296 E HA 0.313 4.679 4.350 0.026 0.000 0.282 296 E C 0.237 176.817 176.600 -0.034 0.000 1.015 296 E CA -0.259 56.117 56.400 -0.040 0.000 0.823 296 E CB 0.702 30.387 29.700 -0.025 0.000 1.081 296 E HN 0.674 nan 8.360 nan 0.000 0.396 297 N N 1.997 120.697 118.700 -0.001 0.000 2.705 297 N HA -0.130 4.625 4.740 0.026 0.000 0.255 297 N C -2.221 173.294 175.510 0.007 0.000 1.008 297 N CA 0.330 53.393 53.050 0.021 0.000 0.742 297 N CB -1.107 37.394 38.487 0.023 0.000 0.906 297 N HN 0.341 nan 8.380 nan 0.000 0.541 298 P HA 0.040 nan 4.420 nan 0.000 0.268 298 P C 0.065 177.392 177.300 0.044 0.000 1.205 298 P CA 0.266 63.283 63.100 -0.139 0.000 0.771 298 P CB 0.776 32.161 31.700 -0.525 0.000 0.858 299 K N 3.042 123.549 120.400 0.179 0.000 2.351 299 K HA 0.170 4.505 4.320 0.026 0.000 0.287 299 K C 0.391 177.143 176.600 0.255 0.000 1.068 299 K CA -0.122 56.270 56.287 0.175 0.000 0.998 299 K CB -0.176 32.396 32.500 0.121 0.000 0.968 299 K HN 0.430 nan 8.250 nan 0.000 0.464 300 L N 2.398 123.702 121.223 0.133 0.000 2.436 300 L HA 0.218 4.573 4.340 0.026 0.000 0.265 300 L C 0.222 177.174 176.870 0.137 0.000 1.168 300 L CA -0.647 54.271 54.840 0.131 0.000 0.815 300 L CB 0.289 42.274 42.059 -0.124 0.000 1.109 300 L HN 0.582 nan 8.230 nan 0.000 0.462 301 W N 2.494 123.811 121.300 0.027 0.000 2.438 301 W HA 0.488 5.163 4.660 0.024 0.000 0.324 301 W C -0.039 176.413 176.519 -0.112 0.000 1.119 301 W CA 0.102 57.454 57.345 0.012 0.000 1.221 301 W CB 1.397 30.924 29.460 0.111 0.000 1.253 301 W HN 0.617 nan 8.180 nan 0.000 0.555 302 S N 2.636 117.832 115.700 -0.840 0.000 2.643 302 S HA 0.620 5.105 4.470 0.026 0.000 0.270 302 S C 0.006 173.821 174.600 -1.308 0.000 1.166 302 S CA -0.354 57.378 58.200 -0.780 0.000 0.815 302 S CB 1.079 64.044 63.200 -0.391 0.000 1.139 302 S HN 0.999 nan 8.310 nan 0.000 0.472 303 A N 0.310 122.543 122.820 -0.979 0.000 2.119 303 A HA 0.093 4.428 4.320 0.026 0.000 0.217 303 A C 1.704 178.964 177.584 -0.539 0.000 1.153 303 A CA 1.279 52.760 52.037 -0.927 0.000 0.692 303 A CB -0.879 17.389 19.000 -1.221 0.000 0.799 303 A HN 0.846 nan 8.150 nan 0.000 0.458 304 E N -0.447 119.555 120.200 -0.330 0.000 2.028 304 E HA 0.049 4.415 4.350 0.026 0.000 0.190 304 E C -0.146 176.309 176.600 -0.241 0.000 0.984 304 E CA 0.709 56.977 56.400 -0.221 0.000 0.800 304 E CB -0.034 29.655 29.700 -0.017 0.000 0.758 304 E HN 0.587 nan 8.360 nan 0.000 0.448 305 I N 2.401 122.815 120.570 -0.260 0.000 2.495 305 I HA 0.164 4.349 4.170 0.026 0.000 0.277 305 I C -2.368 173.534 176.117 -0.358 0.000 1.045 305 I CA -1.993 59.173 61.300 -0.224 0.000 1.135 305 I CB 1.971 39.892 38.000 -0.131 0.000 1.241 305 I HN -0.166 nan 8.210 nan 0.000 0.469 306 P HA 0.039 nan 4.420 nan 0.000 0.228 306 P C -0.524 176.767 177.300 -0.014 0.000 1.748 306 P CA -0.277 62.529 63.100 -0.491 0.000 0.909 306 P CB -0.360 31.212 31.700 -0.213 0.000 1.882 307 N N 1.408 120.117 118.700 0.016 0.000 2.365 307 N HA 0.006 4.761 4.740 0.026 0.000 0.265 307 N C 0.120 175.851 175.510 0.368 0.000 1.288 307 N CA 0.757 53.895 53.050 0.147 0.000 0.869 307 N CB 0.470 39.035 38.487 0.129 0.000 1.071 307 N HN 0.338 nan 8.380 nan 0.000 0.480 308 L N 2.789 124.150 121.223 0.230 0.000 2.362 308 L HA 0.463 4.818 4.340 0.026 0.000 0.271 308 L C -0.654 176.312 176.870 0.160 0.000 1.002 308 L CA -0.869 54.147 54.840 0.292 0.000 0.818 308 L CB 1.134 43.330 42.059 0.227 0.000 1.298 308 L HN 0.388 nan 8.230 nan 0.000 0.420 309 Y N 0.690 121.138 120.300 0.248 0.000 2.587 309 Y HA 0.604 5.170 4.550 0.026 0.000 0.337 309 Y C -0.126 175.893 175.900 0.198 0.000 1.065 309 Y CA -0.835 57.412 58.100 0.245 0.000 1.126 309 Y CB 1.729 40.403 38.460 0.356 0.000 1.279 309 Y HN 0.389 nan 8.280 nan 0.000 0.489 310 R N 1.218 121.945 120.500 0.377 0.000 2.387 310 R HA 0.791 5.146 4.340 0.026 0.000 0.314 310 R C -1.512 174.975 176.300 0.312 0.000 0.958 310 R CA -0.498 55.761 56.100 0.266 0.000 0.846 310 R CB 0.966 31.359 30.300 0.154 0.000 1.147 310 R HN 0.750 nan 8.270 nan 0.000 0.447 311 A N 4.210 127.161 122.820 0.218 0.000 2.260 311 A HA 0.551 4.886 4.320 0.026 0.000 0.314 311 A C -0.929 176.723 177.584 0.114 0.000 1.257 311 A CA -0.644 51.503 52.037 0.183 0.000 0.871 311 A CB 1.043 20.123 19.000 0.134 0.000 1.166 311 A HN 0.499 nan 8.150 nan 0.000 0.522 312 V N 3.446 123.436 119.914 0.128 0.000 2.398 312 V HA 0.361 4.497 4.120 0.026 0.000 0.286 312 V C -0.202 175.880 176.094 -0.020 0.000 1.026 312 V CA -0.502 61.813 62.300 0.025 0.000 0.868 312 V CB 1.498 33.348 31.823 0.045 0.000 0.982 312 V HN 0.580 nan 8.190 nan 0.000 0.443 313 V N 4.825 124.666 119.914 -0.123 0.000 2.313 313 V HA 0.363 4.498 4.120 0.026 0.000 0.278 313 V C 0.047 176.083 176.094 -0.096 0.000 1.017 313 V CA -0.523 61.680 62.300 -0.162 0.000 0.823 313 V CB 1.046 32.632 31.823 -0.395 0.000 1.010 313 V HN 0.918 nan 8.190 nan 0.000 0.443 314 E N 3.821 124.013 120.200 -0.014 0.000 2.134 314 E HA 0.433 4.798 4.350 0.026 0.000 0.278 314 E C -0.848 175.821 176.600 0.115 0.000 0.959 314 E CA -0.798 55.636 56.400 0.055 0.000 0.783 314 E CB 2.231 31.979 29.700 0.079 0.000 1.095 314 E HN 0.469 nan 8.360 nan 0.000 0.399 315 L N 5.088 126.361 121.223 0.083 0.000 2.257 315 L HA 0.330 4.685 4.340 0.026 0.000 0.290 315 L C -0.904 176.058 176.870 0.153 0.000 1.044 315 L CA 0.064 54.956 54.840 0.086 0.000 0.810 315 L CB -0.085 42.007 42.059 0.056 0.000 1.193 315 L HN 0.611 nan 8.230 nan 0.000 0.425 316 H N 0.439 119.543 119.070 0.057 0.000 2.960 316 H HA 0.827 5.399 4.556 0.025 0.000 0.338 316 H C -0.630 174.768 175.328 0.118 0.000 1.261 316 H CA -0.504 55.585 56.048 0.067 0.000 1.136 316 H CB 0.833 30.618 29.762 0.039 0.000 1.875 316 H HN 0.507 nan 8.280 nan 0.000 0.550 317 T N -1.964 112.713 114.554 0.204 0.000 2.918 317 T HA 0.509 4.874 4.350 0.026 0.000 0.283 317 T C 1.421 176.252 174.700 0.219 0.000 1.001 317 T CA -0.381 61.847 62.100 0.213 0.000 1.041 317 T CB 1.491 70.446 68.868 0.146 0.000 1.028 317 T HN 0.907 nan 8.240 nan 0.000 0.511 318 A N 1.374 124.301 122.820 0.178 0.000 1.978 318 A HA -0.097 4.239 4.320 0.026 0.000 0.220 318 A C 1.894 179.552 177.584 0.124 0.000 1.170 318 A CA 1.624 53.749 52.037 0.147 0.000 0.636 318 A CB -0.912 18.162 19.000 0.123 0.000 0.810 318 A HN 0.990 nan 8.150 nan 0.000 0.448 319 D N -1.630 118.816 120.400 0.076 0.000 2.332 319 D HA 0.212 4.867 4.640 0.026 0.000 0.244 319 D C 1.102 177.432 176.300 0.050 0.000 1.136 319 D CA 0.916 54.940 54.000 0.039 0.000 0.884 319 D CB -0.555 40.239 40.800 -0.010 0.000 0.906 319 D HN 0.759 nan 8.370 nan 0.000 0.520 320 G N 0.277 109.142 108.800 0.107 0.000 2.176 320 G HA2 -0.264 3.712 3.960 0.026 0.000 0.253 320 G HA3 -0.264 3.712 3.960 0.026 0.000 0.253 320 G C 0.396 175.328 174.900 0.053 0.000 0.979 320 G CA 0.295 45.434 45.100 0.065 0.000 0.641 320 G HN 0.433 nan 8.290 nan 0.000 0.530 321 T N 1.613 116.213 114.554 0.077 0.000 2.834 321 T HA 0.460 4.825 4.350 0.026 0.000 0.298 321 T C 0.343 175.108 174.700 0.108 0.000 0.966 321 T CA -0.051 62.086 62.100 0.060 0.000 1.141 321 T CB 1.890 70.778 68.868 0.032 0.000 0.905 321 T HN 0.599 nan 8.240 nan 0.000 0.535 322 L N 4.705 125.973 121.223 0.075 0.000 2.331 322 L HA 0.370 4.726 4.340 0.026 0.000 0.278 322 L C 0.702 177.620 176.870 0.081 0.000 1.106 322 L CA 0.232 55.128 54.840 0.094 0.000 0.824 322 L CB 0.195 42.282 42.059 0.047 0.000 1.142 322 L HN 0.675 nan 8.230 nan 0.000 0.443 323 I N 2.731 123.357 120.570 0.093 0.000 2.512 323 I HA 0.142 4.327 4.170 0.026 0.000 0.247 323 I C 0.226 176.360 176.117 0.029 0.000 1.094 323 I CA 0.506 61.841 61.300 0.057 0.000 1.427 323 I CB 0.095 38.131 38.000 0.059 0.000 1.149 323 I HN 0.808 nan 8.210 nan 0.000 0.438 324 E N 0.084 120.301 120.200 0.028 0.000 2.409 324 E HA 0.705 5.070 4.350 0.026 0.000 0.280 324 E C -1.516 175.096 176.600 0.020 0.000 1.079 324 E CA -1.101 55.305 56.400 0.011 0.000 0.840 324 E CB 1.501 31.170 29.700 -0.052 0.000 1.309 324 E HN -0.019 nan 8.360 nan 0.000 0.447 325 A N 1.391 124.250 122.820 0.066 0.000 2.386 325 A HA 0.714 5.049 4.320 0.026 0.000 0.311 325 A C -0.857 176.821 177.584 0.157 0.000 1.068 325 A CA -0.707 51.379 52.037 0.082 0.000 0.743 325 A CB 1.456 20.513 19.000 0.096 0.000 1.258 325 A HN 0.517 nan 8.150 nan 0.000 0.429 326 E N -0.272 119.938 120.200 0.017 0.000 2.355 326 E HA 0.859 5.225 4.350 0.026 0.000 0.261 326 E C -0.426 176.173 176.600 -0.003 0.000 0.943 326 E CA -0.502 55.938 56.400 0.067 0.000 0.806 326 E CB 2.324 31.880 29.700 -0.239 0.000 1.286 326 E HN 1.161 nan 8.360 nan 0.000 0.424 327 A N -0.278 122.632 122.820 0.151 0.000 2.566 327 A HA 0.717 5.052 4.320 0.026 0.000 0.290 327 A C -1.251 176.526 177.584 0.322 0.000 1.071 327 A CA -0.299 51.805 52.037 0.111 0.000 0.658 327 A CB 0.710 19.704 19.000 -0.010 0.000 1.285 327 A HN 0.908 nan 8.150 nan 0.000 0.427 328 C N -0.673 118.778 119.300 0.251 0.000 3.312 328 C HA 0.771 5.247 4.460 0.026 0.000 0.332 328 C C -1.578 173.504 174.990 0.154 0.000 1.340 328 C CA -0.941 58.218 59.018 0.236 0.000 1.265 328 C CB 1.053 28.955 27.740 0.269 0.000 1.563 328 C HN 0.820 nan 8.230 nan 0.000 0.471 329 D N 1.375 121.846 120.400 0.118 0.000 2.308 329 D HA 0.487 5.143 4.640 0.026 0.000 0.251 329 D C -0.367 175.976 176.300 0.072 0.000 1.127 329 D CA 0.205 54.273 54.000 0.114 0.000 0.876 329 D CB 1.791 42.662 40.800 0.118 0.000 1.176 329 D HN 0.547 nan 8.370 nan 0.000 0.446 330 V N 1.945 121.933 119.914 0.123 0.000 2.350 330 V HA 0.534 4.670 4.120 0.026 0.000 0.285 330 V C 0.685 176.864 176.094 0.141 0.000 1.014 330 V CA -0.877 61.453 62.300 0.050 0.000 0.831 330 V CB 1.740 33.574 31.823 0.018 0.000 1.000 330 V HN 0.581 nan 8.190 nan 0.000 0.433 331 G N 3.521 112.294 108.800 -0.044 0.000 2.335 331 G HA2 0.570 4.546 3.960 0.026 0.000 0.314 331 G HA3 0.570 4.546 3.960 0.026 0.000 0.314 331 G C -0.757 174.225 174.900 0.137 0.000 1.129 331 G CA -0.395 44.752 45.100 0.078 0.000 0.912 331 G HN 0.470 nan 8.290 nan 0.000 0.443 332 F N 4.128 124.259 119.950 0.301 0.000 2.494 332 F HA 0.328 4.870 4.527 0.025 0.000 0.351 332 F C 1.202 177.250 175.800 0.414 0.000 1.205 332 F CA -0.144 58.098 58.000 0.403 0.000 1.125 332 F CB 0.392 39.636 39.000 0.407 0.000 1.268 332 F HN 0.402 nan 8.300 nan 0.000 0.593 333 R N 2.956 123.735 120.500 0.465 0.000 2.698 333 R HA 0.468 4.824 4.340 0.026 0.000 0.275 333 R C -1.588 174.886 176.300 0.290 0.000 1.001 333 R CA -0.751 55.489 56.100 0.232 0.000 0.896 333 R CB 1.688 32.158 30.300 0.283 0.000 1.218 333 R HN 0.539 nan 8.270 nan 0.000 0.462 334 E N 2.465 122.746 120.200 0.134 0.000 2.176 334 E HA 0.429 4.794 4.350 0.026 0.000 0.267 334 E C -1.202 175.480 176.600 0.138 0.000 0.893 334 E CA -0.881 55.676 56.400 0.261 0.000 0.761 334 E CB 2.009 31.969 29.700 0.434 0.000 1.133 334 E HN 0.422 nan 8.360 nan 0.000 0.409 335 V N 5.478 125.464 119.914 0.120 0.000 2.448 335 V HA 0.604 4.739 4.120 0.026 0.000 0.295 335 V C -0.215 175.923 176.094 0.074 0.000 1.025 335 V CA -0.676 61.663 62.300 0.066 0.000 0.859 335 V CB 1.145 32.982 31.823 0.024 0.000 0.988 335 V HN 0.756 nan 8.190 nan 0.000 0.431 336 R N 3.799 124.338 120.500 0.066 0.000 2.692 336 R HA 0.723 5.079 4.340 0.026 0.000 0.269 336 R C -1.999 174.331 176.300 0.050 0.000 1.030 336 R CA -0.961 55.179 56.100 0.067 0.000 0.882 336 R CB 1.784 32.137 30.300 0.088 0.000 1.250 336 R HN 0.484 nan 8.270 nan 0.000 0.465 337 I N 1.411 122.010 120.570 0.049 0.000 2.328 337 I HA 0.316 4.501 4.170 0.026 0.000 0.287 337 I C -0.401 175.741 176.117 0.042 0.000 1.012 337 I CA -0.317 61.006 61.300 0.039 0.000 1.195 337 I CB 1.614 39.637 38.000 0.039 0.000 1.350 337 I HN 0.617 nan 8.210 nan 0.000 0.464 338 E N 5.862 126.084 120.200 0.037 0.000 2.210 338 E HA 0.228 4.593 4.350 0.026 0.000 0.266 338 E C -0.098 176.518 176.600 0.028 0.000 0.883 338 E CA -0.688 55.735 56.400 0.038 0.000 0.761 338 E CB 1.154 30.883 29.700 0.047 0.000 1.156 338 E HN 0.537 nan 8.360 nan 0.000 0.412 339 N N 2.985 121.700 118.700 0.026 0.000 2.701 339 N HA -0.264 4.491 4.740 0.026 0.000 0.250 339 N C 0.457 175.976 175.510 0.014 0.000 1.046 339 N CA 1.892 54.954 53.050 0.020 0.000 0.733 339 N CB -1.134 37.364 38.487 0.017 0.000 0.973 339 N HN 0.911 nan 8.380 nan 0.000 0.541 340 G N -2.476 106.333 108.800 0.015 0.000 2.176 340 G HA2 -0.281 3.694 3.960 0.026 0.000 0.253 340 G HA3 -0.281 3.694 3.960 0.026 0.000 0.253 340 G C -0.062 174.836 174.900 -0.002 0.000 0.979 340 G CA 0.430 45.536 45.100 0.009 0.000 0.641 340 G HN 0.448 nan 8.290 nan 0.000 0.530 341 L N 0.194 121.416 121.223 -0.002 0.000 2.346 341 L HA 0.684 5.039 4.340 0.026 0.000 0.276 341 L C 0.203 177.066 176.870 -0.013 0.000 1.006 341 L CA -1.292 53.538 54.840 -0.015 0.000 0.817 341 L CB 1.836 43.887 42.059 -0.014 0.000 1.272 341 L HN 0.100 nan 8.230 nan 0.000 0.421 342 L N 4.594 125.797 121.223 -0.033 0.000 2.325 342 L HA 0.348 4.703 4.340 0.026 0.000 0.284 342 L C -0.684 176.167 176.870 -0.033 0.000 1.089 342 L CA 0.423 55.244 54.840 -0.032 0.000 0.836 342 L CB 0.146 42.172 42.059 -0.056 0.000 1.184 342 L HN 0.380 nan 8.230 nan 0.000 0.444 343 L N 5.937 127.158 121.223 -0.004 0.000 2.309 343 L HA 0.475 4.831 4.340 0.026 0.000 0.282 343 L C -0.630 176.245 176.870 0.009 0.000 1.036 343 L CA -0.752 54.094 54.840 0.010 0.000 0.806 343 L CB 1.677 43.765 42.059 0.048 0.000 1.220 343 L HN 0.519 nan 8.230 nan 0.000 0.429 344 L N 4.421 125.653 121.223 0.015 0.000 2.319 344 L HA 0.448 4.803 4.340 0.026 0.000 0.281 344 L C -0.083 176.791 176.870 0.005 0.000 1.005 344 L CA -0.014 54.839 54.840 0.021 0.000 0.828 344 L CB 0.750 42.820 42.059 0.018 0.000 1.227 344 L HN 0.558 nan 8.230 nan 0.000 0.415 345 N N 4.502 123.082 118.700 -0.201 0.000 2.705 345 N HA -0.225 4.531 4.740 0.026 0.000 0.255 345 N C 0.991 176.152 175.510 -0.581 0.000 1.008 345 N CA 1.230 53.828 53.050 -0.754 0.000 0.742 345 N CB -1.000 36.926 38.487 -0.933 0.000 0.906 345 N HN 1.171 nan 8.380 nan 0.000 0.541 346 G N -1.680 107.073 108.800 -0.078 0.000 2.184 346 G HA2 -0.355 3.620 3.960 0.026 0.000 0.264 346 G HA3 -0.355 3.620 3.960 0.026 0.000 0.264 346 G C 0.027 174.964 174.900 0.063 0.000 0.975 346 G CA 0.937 46.108 45.100 0.119 0.000 0.642 346 G HN 0.420 nan 8.290 nan 0.000 0.536 347 K N 0.845 121.272 120.400 0.045 0.000 2.221 347 K HA 0.491 4.827 4.320 0.026 0.000 0.258 347 K C -2.740 173.844 176.600 -0.026 0.000 0.944 347 K CA -2.163 54.123 56.287 -0.003 0.000 0.823 347 K CB 2.511 34.961 32.500 -0.084 0.000 1.113 347 K HN 0.032 nan 8.250 nan 0.000 0.431 348 P HA 0.172 nan 4.420 nan 0.000 0.279 348 P C -0.032 177.215 177.300 -0.088 0.000 1.318 348 P CA -0.255 62.807 63.100 -0.063 0.000 0.819 348 P CB 0.277 31.942 31.700 -0.058 0.000 0.927 349 L N 3.683 124.851 121.223 -0.093 0.000 2.483 349 L HA 0.082 4.437 4.340 0.026 0.000 0.276 349 L C 0.843 177.643 176.870 -0.117 0.000 1.213 349 L CA -0.184 54.591 54.840 -0.108 0.000 0.843 349 L CB 0.135 42.089 42.059 -0.176 0.000 1.107 349 L HN 0.279 nan 8.230 nan 0.000 0.487 350 L N 4.896 126.073 121.223 -0.076 0.000 2.318 350 L HA 0.398 4.754 4.340 0.026 0.000 0.277 350 L C -0.365 176.481 176.870 -0.041 0.000 1.008 350 L CA -0.212 54.570 54.840 -0.097 0.000 0.846 350 L CB 0.896 42.932 42.059 -0.038 0.000 1.220 350 L HN 0.270 nan 8.230 nan 0.000 0.423 351 I N 5.486 125.951 120.570 -0.175 0.000 2.389 351 I HA 0.172 4.357 4.170 0.026 0.000 0.295 351 I C 0.527 176.627 176.117 -0.030 0.000 1.117 351 I CA 0.199 61.407 61.300 -0.152 0.000 1.317 351 I CB 0.120 37.894 38.000 -0.378 0.000 1.431 351 I HN 0.541 nan 8.210 nan 0.000 0.521 352 R N 4.770 125.380 120.500 0.183 0.000 3.171 352 R HA 0.469 4.825 4.340 0.026 0.000 0.241 352 R C 0.561 177.061 176.300 0.334 0.000 1.421 352 R CA -0.262 56.029 56.100 0.319 0.000 1.444 352 R CB 0.702 31.007 30.300 0.009 0.000 1.247 352 R HN 0.728 nan 8.270 nan 0.000 0.636 353 G N -0.017 108.944 108.800 0.268 0.000 2.735 353 G HA2 0.644 4.619 3.960 0.026 0.000 0.301 353 G HA3 0.644 4.619 3.960 0.026 0.000 0.301 353 G C -1.410 173.796 174.900 0.510 0.000 1.279 353 G CA -0.529 44.732 45.100 0.268 0.000 1.019 353 G HN 0.213 nan 8.290 nan 0.000 0.497 354 V N -0.259 119.921 119.914 0.443 0.000 3.048 354 V HA 0.454 4.589 4.120 0.026 0.000 0.303 354 V C -1.191 175.021 176.094 0.196 0.000 1.214 354 V CA -1.200 61.255 62.300 0.258 0.000 0.984 354 V CB 2.239 33.962 31.823 -0.165 0.000 1.054 354 V HN 0.762 nan 8.190 nan 0.000 0.430 355 N N 4.090 122.834 118.700 0.072 0.000 2.520 355 N HA 0.375 5.131 4.740 0.026 0.000 0.273 355 N C -0.626 174.663 175.510 -0.369 0.000 1.155 355 N CA -0.140 52.794 53.050 -0.194 0.000 0.967 355 N CB 1.183 39.534 38.487 -0.225 0.000 1.092 355 N HN 0.581 nan 8.380 nan 0.000 0.457 356 R N 2.091 122.328 120.500 -0.438 0.000 2.500 356 R HA 0.176 4.532 4.340 0.026 0.000 0.299 356 R C -0.906 175.120 176.300 -0.456 0.000 1.038 356 R CA -0.555 55.311 56.100 -0.390 0.000 0.903 356 R CB 0.623 30.669 30.300 -0.424 0.000 1.177 356 R HN 0.601 nan 8.270 nan 0.000 0.455 357 H N 2.172 121.064 119.070 -0.297 0.000 2.615 357 H HA 0.071 4.643 4.556 0.026 0.000 0.363 357 H C -0.367 174.959 175.328 -0.003 0.000 1.148 357 H CA 0.297 56.279 56.048 -0.109 0.000 1.401 357 H CB 1.248 31.009 29.762 -0.001 0.000 1.461 357 H HN 0.536 nan 8.280 nan 0.000 0.588 358 E N 2.286 122.671 120.200 0.308 0.000 1.944 358 E HA 0.060 4.425 4.350 0.026 0.000 0.272 358 E C -0.525 176.218 176.600 0.240 0.000 1.195 358 E CA 0.125 56.639 56.400 0.189 0.000 0.926 358 E CB 0.078 29.898 29.700 0.200 0.000 1.051 358 E HN 0.382 nan 8.360 nan 0.000 0.404 359 H N 1.625 120.757 119.070 0.104 0.000 2.771 359 H HA 0.295 4.867 4.556 0.026 0.000 0.361 359 H C -1.519 173.876 175.328 0.113 0.000 1.108 359 H CA -0.691 55.414 56.048 0.096 0.000 1.201 359 H CB 1.131 30.939 29.762 0.077 0.000 1.681 359 H HN 0.384 nan 8.280 nan 0.000 0.534 360 H N 5.960 124.677 119.070 -0.588 0.000 2.877 360 H HA 0.193 4.764 4.556 0.025 0.000 0.347 360 H C -2.311 172.670 175.328 -0.578 0.000 1.042 360 H CA -2.283 53.545 56.048 -0.367 0.000 1.276 360 H CB 2.664 32.350 29.762 -0.127 0.000 1.681 360 H HN 0.543 nan 8.280 nan 0.000 0.521 361 P HA -0.097 nan 4.420 nan 0.000 0.219 361 P C 1.258 178.467 177.300 -0.152 0.000 1.146 361 P CA 0.837 63.829 63.100 -0.180 0.000 0.808 361 P CB 0.859 32.486 31.700 -0.121 0.000 0.779 362 L N -1.852 119.354 121.223 -0.029 0.000 2.269 362 L HA 0.075 4.430 4.340 0.026 0.000 0.200 362 L C 2.193 178.889 176.870 -0.290 0.000 1.069 362 L CA 0.889 55.597 54.840 -0.221 0.000 0.804 362 L CB -0.691 41.116 42.059 -0.420 0.000 0.987 362 L HN -0.004 nan 8.230 nan 0.000 0.468 363 H N -0.826 118.197 119.070 -0.079 0.000 2.551 363 H HA 0.275 4.846 4.556 0.025 0.000 0.271 363 H C 1.419 176.623 175.328 -0.206 0.000 0.984 363 H CA 0.239 56.159 56.048 -0.213 0.000 1.164 363 H CB 0.526 30.055 29.762 -0.388 0.000 1.437 363 H HN 0.383 nan 8.280 nan 0.000 0.550 364 G N 1.467 110.165 108.800 -0.171 0.000 2.687 364 G HA2 -0.424 3.551 3.960 0.026 0.000 0.303 364 G HA3 -0.424 3.551 3.960 0.026 0.000 0.303 364 G C 0.806 175.595 174.900 -0.185 0.000 1.209 364 G CA 0.565 45.507 45.100 -0.264 0.000 0.968 364 G HN 0.450 nan 8.290 nan 0.000 0.549 365 Q N -0.084 119.639 119.800 -0.128 0.000 2.219 365 Q HA 0.489 4.844 4.340 0.026 0.000 0.209 365 Q C 0.332 176.430 176.000 0.165 0.000 0.854 365 Q CA -0.098 55.675 55.803 -0.050 0.000 0.960 365 Q CB 1.329 29.893 28.738 -0.289 0.000 1.116 365 Q HN 0.405 nan 8.270 nan 0.000 0.500 366 V N 2.135 122.120 119.914 0.117 0.000 2.508 366 V HA 0.116 4.251 4.120 0.026 0.000 0.281 366 V C 0.232 176.359 176.094 0.054 0.000 1.041 366 V CA 0.176 62.541 62.300 0.110 0.000 1.016 366 V CB 0.704 32.517 31.823 -0.016 0.000 0.984 366 V HN 0.328 nan 8.190 nan 0.000 0.478 367 M N 5.493 125.129 119.600 0.061 0.000 2.367 367 M HA 0.471 4.966 4.480 0.026 0.000 0.339 367 M C -0.224 175.996 176.300 -0.133 0.000 1.177 367 M CA -0.379 54.903 55.300 -0.030 0.000 1.068 367 M CB 1.586 34.133 32.600 -0.087 0.000 1.602 367 M HN 0.859 nan 8.290 nan 0.000 0.457 368 D N 0.330 120.675 120.400 -0.091 0.000 2.547 368 D HA 0.223 4.878 4.640 0.026 0.000 0.231 368 D C 0.063 176.340 176.300 -0.038 0.000 1.099 368 D CA -0.465 53.485 54.000 -0.083 0.000 0.901 368 D CB 1.862 42.637 40.800 -0.042 0.000 1.478 368 D HN 0.686 nan 8.370 nan 0.000 0.471 369 E N 0.278 120.468 120.200 -0.017 0.000 2.058 369 E HA -0.284 4.082 4.350 0.026 0.000 0.194 369 E C 1.830 178.475 176.600 0.076 0.000 0.997 369 E CA 1.399 57.821 56.400 0.037 0.000 0.801 369 E CB 0.164 29.899 29.700 0.058 0.000 0.746 369 E HN 0.562 nan 8.360 nan 0.000 0.450 370 Q N -0.342 119.506 119.800 0.079 0.000 2.061 370 Q HA -0.174 4.182 4.340 0.026 0.000 0.204 370 Q C 2.033 178.101 176.000 0.114 0.000 0.984 370 Q CA 2.306 58.166 55.803 0.096 0.000 0.846 370 Q CB -0.048 28.748 28.738 0.098 0.000 0.902 370 Q HN 0.269 nan 8.270 nan 0.000 0.421 371 T N 0.871 115.506 114.554 0.136 0.000 2.708 371 T HA -0.146 4.220 4.350 0.026 0.000 0.266 371 T C 1.835 176.626 174.700 0.151 0.000 1.037 371 T CA 1.544 63.740 62.100 0.159 0.000 1.146 371 T CB -0.166 68.841 68.868 0.230 0.000 0.865 371 T HN 0.309 nan 8.240 nan 0.000 0.435 372 M N 0.518 120.207 119.600 0.147 0.000 2.080 372 M HA -0.111 4.385 4.480 0.026 0.000 0.260 372 M C 2.481 178.894 176.300 0.187 0.000 1.068 372 M CA 1.422 56.866 55.300 0.239 0.000 1.109 372 M CB -0.628 32.129 32.600 0.262 0.000 1.342 372 M HN 0.107 nan 8.290 nan 0.000 0.405 373 V N 0.123 120.094 119.914 0.095 0.000 2.358 373 V HA -0.291 3.845 4.120 0.026 0.000 0.246 373 V C 2.311 178.391 176.094 -0.023 0.000 1.047 373 V CA 1.978 64.271 62.300 -0.011 0.000 1.035 373 V CB -0.812 31.046 31.823 0.058 0.000 0.658 373 V HN 0.553 nan 8.190 nan 0.000 0.452 374 Q N -0.097 119.741 119.800 0.064 0.000 2.045 374 Q HA -0.304 4.051 4.340 0.026 0.000 0.206 374 Q C 2.032 178.108 176.000 0.128 0.000 0.991 374 Q CA 2.481 58.342 55.803 0.096 0.000 0.851 374 Q CB -0.219 28.594 28.738 0.124 0.000 0.911 374 Q HN 0.615 nan 8.270 nan 0.000 0.418 375 D N 0.193 120.691 120.400 0.163 0.000 2.104 375 D HA -0.177 4.478 4.640 0.026 0.000 0.194 375 D C 1.962 178.218 176.300 -0.073 0.000 0.994 375 D CA 1.350 55.448 54.000 0.163 0.000 0.830 375 D CB -0.278 40.591 40.800 0.115 0.000 0.959 375 D HN 0.373 nan 8.370 nan 0.000 0.452 376 I N 0.628 121.135 120.570 -0.106 0.000 2.179 376 I HA -0.247 3.938 4.170 0.026 0.000 0.242 376 I C 2.479 178.450 176.117 -0.243 0.000 1.088 376 I CA 0.677 61.811 61.300 -0.277 0.000 1.357 376 I CB -0.140 37.566 38.000 -0.489 0.000 1.051 376 I HN -0.004 nan 8.210 nan 0.000 0.409 377 L N -0.007 121.105 121.223 -0.184 0.000 2.017 377 L HA -0.243 4.112 4.340 0.026 0.000 0.208 377 L C 2.571 179.504 176.870 0.105 0.000 1.073 377 L CA 1.432 56.255 54.840 -0.029 0.000 0.745 377 L CB -0.624 41.441 42.059 0.010 0.000 0.894 377 L HN 0.282 nan 8.230 nan 0.000 0.432 378 L N -0.957 120.361 121.223 0.157 0.000 2.046 378 L HA -0.255 4.101 4.340 0.026 0.000 0.208 378 L C 2.717 179.798 176.870 0.352 0.000 1.077 378 L CA 1.372 56.399 54.840 0.312 0.000 0.747 378 L CB -0.271 42.080 42.059 0.486 0.000 0.896 378 L HN 0.292 nan 8.230 nan 0.000 0.432 379 M N -0.678 118.979 119.600 0.094 0.000 2.065 379 M HA -0.266 4.230 4.480 0.026 0.000 0.259 379 M C 2.289 178.726 176.300 0.228 0.000 1.069 379 M CA 1.926 57.237 55.300 0.018 0.000 1.110 379 M CB -0.350 31.998 32.600 -0.420 0.000 1.328 379 M HN 0.082 nan 8.290 nan 0.000 0.405 380 K N -0.119 120.288 120.400 0.013 0.000 2.097 380 K HA -0.162 4.173 4.320 0.026 0.000 0.205 380 K C 1.914 178.497 176.600 -0.027 0.000 1.050 380 K CA 1.183 57.356 56.287 -0.191 0.000 0.938 380 K CB -0.206 31.978 32.500 -0.527 0.000 0.718 380 K HN 0.445 nan 8.250 nan 0.000 0.442 381 Q N 0.353 120.307 119.800 0.256 0.000 2.437 381 Q HA -0.023 4.332 4.340 0.026 0.000 0.210 381 Q C 0.651 176.946 176.000 0.490 0.000 0.972 381 Q CA 0.692 56.752 55.803 0.428 0.000 0.903 381 Q CB 0.185 29.128 28.738 0.340 0.000 0.967 381 Q HN 0.277 nan 8.270 nan 0.000 0.486 382 N N 0.485 119.420 118.700 0.392 0.000 2.282 382 N HA 0.067 4.823 4.740 0.026 0.000 0.240 382 N C -0.772 174.787 175.510 0.081 0.000 1.182 382 N CA -0.011 53.234 53.050 0.325 0.000 0.874 382 N CB 0.802 39.553 38.487 0.441 0.000 1.126 382 N HN 0.124 nan 8.380 nan 0.000 0.516 383 N N 0.399 119.185 118.700 0.145 0.000 2.747 383 N HA -0.180 4.575 4.740 0.026 0.000 0.249 383 N C -1.041 174.376 175.510 -0.156 0.000 1.107 383 N CA 0.838 53.940 53.050 0.087 0.000 0.707 383 N CB -1.839 36.598 38.487 -0.083 0.000 1.054 383 N HN 0.254 nan 8.380 nan 0.000 0.555 384 F N 1.068 121.058 119.950 0.067 0.000 2.394 384 F HA 0.309 4.851 4.527 0.025 0.000 0.340 384 F C 1.753 177.558 175.800 0.008 0.000 1.105 384 F CA -0.741 57.284 58.000 0.041 0.000 1.124 384 F CB 0.892 39.895 39.000 0.006 0.000 1.145 384 F HN 0.055 nan 8.300 nan 0.000 0.505 385 N N 1.020 119.856 118.700 0.227 0.000 2.159 385 N HA 0.408 5.163 4.740 0.026 0.000 0.217 385 N C -0.742 174.820 175.510 0.086 0.000 1.223 385 N CA 0.000 53.092 53.050 0.070 0.000 0.896 385 N CB 0.711 39.283 38.487 0.142 0.000 1.064 385 N HN 0.437 nan 8.380 nan 0.000 0.518 386 A N -0.403 122.559 122.820 0.236 0.000 2.572 386 A HA 0.752 5.088 4.320 0.026 0.000 0.295 386 A C -1.697 176.123 177.584 0.393 0.000 1.072 386 A CA -0.734 51.513 52.037 0.350 0.000 0.691 386 A CB 1.984 21.211 19.000 0.379 0.000 1.291 386 A HN 0.176 nan 8.150 nan 0.000 0.404 387 V N 1.548 121.731 119.914 0.449 0.000 2.760 387 V HA 0.748 4.883 4.120 0.026 0.000 0.309 387 V C -0.595 175.603 176.094 0.174 0.000 1.077 387 V CA -0.715 61.778 62.300 0.321 0.000 0.910 387 V CB 1.845 33.803 31.823 0.225 0.000 1.008 387 V HN 1.061 nan 8.190 nan 0.000 0.424 388 R N 4.836 125.265 120.500 -0.119 0.000 2.346 388 R HA 0.484 4.839 4.340 0.026 0.000 0.311 388 R C -0.756 175.374 176.300 -0.283 0.000 0.983 388 R CA -0.513 55.347 56.100 -0.400 0.000 0.880 388 R CB 1.129 30.956 30.300 -0.788 0.000 1.100 388 R HN 0.817 nan 8.270 nan 0.000 0.453 389 C N 4.186 123.356 119.300 -0.216 0.000 2.756 389 C HA 0.133 4.608 4.460 0.026 0.000 0.504 389 C C 0.561 175.280 174.990 -0.452 0.000 1.028 389 C CA -0.523 58.326 59.018 -0.282 0.000 1.167 389 C CB -1.955 25.739 27.740 -0.077 0.000 1.444 389 C HN 0.676 nan 8.230 nan 0.000 0.577 390 S N 1.443 116.734 115.700 -0.682 0.000 2.448 390 S HA 0.238 4.723 4.470 0.026 0.000 0.279 390 S C -0.090 173.556 174.600 -1.590 0.000 1.195 390 S CA -0.070 57.493 58.200 -1.062 0.000 1.051 390 S CB 0.147 62.678 63.200 -1.115 0.000 0.948 390 S HN 0.730 nan 8.310 nan 0.000 0.493 391 H N 3.697 122.163 119.070 -1.006 0.000 2.471 391 H HA 0.303 4.874 4.556 0.025 0.000 0.234 391 H C -1.210 174.031 175.328 -0.144 0.000 1.388 391 H CA -0.337 55.506 56.048 -0.342 0.000 1.198 391 H CB -0.209 29.551 29.762 -0.004 0.000 1.714 391 H HN 0.869 nan 8.280 nan 0.000 0.536 392 Y N -2.683 117.711 120.300 0.156 0.000 2.641 392 Y HA 0.462 5.028 4.550 0.026 0.000 0.333 392 Y C -3.260 172.740 175.900 0.167 0.000 1.174 392 Y CA -3.543 54.660 58.100 0.171 0.000 1.057 392 Y CB 0.186 38.756 38.460 0.183 0.000 1.322 392 Y HN -0.118 nan 8.280 nan 0.000 0.457 393 P HA 0.144 nan 4.420 nan 0.000 0.267 393 P C -0.691 176.876 177.300 0.444 0.000 1.205 393 P CA 0.265 63.602 63.100 0.396 0.000 0.765 393 P CB 0.571 32.434 31.700 0.272 0.000 0.828 394 N N 1.012 120.008 118.700 0.494 0.000 2.408 394 N HA 0.061 4.816 4.740 0.026 0.000 0.260 394 N C 0.114 175.859 175.510 0.391 0.000 1.242 394 N CA -0.277 52.974 53.050 0.335 0.000 0.959 394 N CB -0.005 38.465 38.487 -0.028 0.000 1.201 394 N HN 0.470 nan 8.380 nan 0.000 0.511 395 H N 2.181 121.355 119.070 0.173 0.000 3.140 395 H HA -0.048 4.523 4.556 0.025 0.000 0.316 395 H C -1.439 174.051 175.328 0.270 0.000 0.986 395 H CA -0.595 55.541 56.048 0.146 0.000 1.397 395 H CB 0.744 30.563 29.762 0.095 0.000 1.377 395 H HN 0.418 nan 8.280 nan 0.000 0.585 396 P HA -0.225 nan 4.420 nan 0.000 0.217 396 P C 1.826 179.394 177.300 0.447 0.000 1.151 396 P CA 0.800 64.085 63.100 0.308 0.000 0.849 396 P CB 0.226 31.975 31.700 0.082 0.000 0.787 397 L N -0.978 120.568 121.223 0.539 0.000 2.201 397 L HA -0.047 4.309 4.340 0.026 0.000 0.212 397 L C 2.405 179.444 176.870 0.283 0.000 1.105 397 L CA 1.379 56.450 54.840 0.385 0.000 0.775 397 L CB -1.414 40.847 42.059 0.336 0.000 0.913 397 L HN 0.034 nan 8.230 nan 0.000 0.440 398 W N -0.532 120.822 121.300 0.089 0.000 2.342 398 W HA -0.321 4.353 4.660 0.024 0.000 0.297 398 W C 1.913 178.300 176.519 -0.220 0.000 1.213 398 W CA 1.874 59.141 57.345 -0.129 0.000 1.251 398 W CB -0.324 28.968 29.460 -0.279 0.000 1.136 398 W HN 0.284 nan 8.180 nan 0.000 0.526 399 Y N 0.786 121.017 120.300 -0.114 0.000 2.220 399 Y HA -0.175 4.390 4.550 0.025 0.000 0.291 399 Y C 2.873 178.576 175.900 -0.328 0.000 1.129 399 Y CA 2.127 59.972 58.100 -0.425 0.000 1.161 399 Y CB -1.194 36.727 38.460 -0.897 0.000 0.997 399 Y HN -0.246 nan 8.280 nan 0.000 0.522 400 T N 1.014 115.596 114.554 0.046 0.000 2.635 400 T HA -0.226 4.139 4.350 0.026 0.000 0.267 400 T C 2.014 176.750 174.700 0.059 0.000 1.040 400 T CA 1.800 63.990 62.100 0.150 0.000 1.156 400 T CB -0.710 68.280 68.868 0.203 0.000 0.863 400 T HN 0.226 nan 8.240 nan 0.000 0.430 401 L N 0.324 121.540 121.223 -0.011 0.000 2.042 401 L HA -0.132 4.223 4.340 0.026 0.000 0.210 401 L C 2.965 179.822 176.870 -0.021 0.000 1.076 401 L CA 1.043 55.896 54.840 0.021 0.000 0.749 401 L CB -0.781 41.253 42.059 -0.043 0.000 0.893 401 L HN 0.393 nan 8.230 nan 0.000 0.432 402 C N -0.279 118.851 119.300 -0.283 0.000 2.440 402 C HA -0.141 4.334 4.460 0.026 0.000 0.278 402 C C 2.433 177.480 174.990 0.095 0.000 1.295 402 C CA 0.353 59.243 59.018 -0.213 0.000 1.738 402 C CB -0.833 26.660 27.740 -0.412 0.000 1.987 402 C HN 0.547 nan 8.230 nan 0.000 0.492 403 D N 0.524 120.984 120.400 0.101 0.000 2.133 403 D HA -0.124 4.531 4.640 0.026 0.000 0.195 403 D C 2.360 178.868 176.300 0.347 0.000 0.997 403 D CA 1.324 55.450 54.000 0.210 0.000 0.840 403 D CB -0.338 40.542 40.800 0.133 0.000 0.947 403 D HN 0.575 nan 8.370 nan 0.000 0.452 404 R N -1.154 119.443 120.500 0.162 0.000 2.128 404 R HA 0.033 4.388 4.340 0.026 0.000 0.211 404 R C 2.237 178.506 176.300 -0.051 0.000 1.067 404 R CA 0.356 56.482 56.100 0.044 0.000 1.010 404 R CB -0.151 30.094 30.300 -0.093 0.000 0.922 404 R HN 0.238 nan 8.270 nan 0.000 0.457 405 Y N 0.244 120.558 120.300 0.023 0.000 2.243 405 Y HA 0.142 4.707 4.550 0.025 0.000 0.293 405 Y C 1.199 177.031 175.900 -0.113 0.000 1.124 405 Y CA 1.269 59.351 58.100 -0.030 0.000 1.159 405 Y CB 0.315 38.727 38.460 -0.080 0.000 1.008 405 Y HN 0.267 nan 8.280 nan 0.000 0.527 406 G N 0.578 109.402 108.800 0.041 0.000 2.740 406 G HA2 -0.064 3.911 3.960 0.026 0.000 0.267 406 G HA3 -0.064 3.911 3.960 0.026 0.000 0.267 406 G C -1.212 173.526 174.900 -0.270 0.000 0.971 406 G CA -0.674 44.311 45.100 -0.192 0.000 1.288 406 G HN 0.131 nan 8.290 nan 0.000 0.615 407 L N 1.298 122.449 121.223 -0.119 0.000 2.410 407 L HA 0.492 4.848 4.340 0.026 0.000 0.270 407 L C -0.271 176.630 176.870 0.051 0.000 0.983 407 L CA -1.397 53.350 54.840 -0.153 0.000 0.822 407 L CB 1.777 43.759 42.059 -0.128 0.000 1.285 407 L HN 0.329 nan 8.230 nan 0.000 0.409 408 Y N 2.468 122.896 120.300 0.214 0.000 2.465 408 Y HA 0.245 4.812 4.550 0.029 0.000 0.331 408 Y C 0.330 176.365 175.900 0.226 0.000 1.102 408 Y CA -0.439 57.816 58.100 0.258 0.000 1.358 408 Y CB 0.578 39.173 38.460 0.225 0.000 1.213 408 Y HN 0.118 nan 8.280 nan 0.000 0.525 409 V N 4.698 124.808 119.914 0.326 0.000 2.495 409 V HA 0.366 4.501 4.120 0.026 0.000 0.298 409 V C -0.408 175.768 176.094 0.137 0.000 1.031 409 V CA -1.081 61.347 62.300 0.213 0.000 0.871 409 V CB 1.875 33.793 31.823 0.160 0.000 0.988 409 V HN 0.465 nan 8.190 nan 0.000 0.432 410 V N 3.553 123.512 119.914 0.075 0.000 2.364 410 V HA 0.318 4.453 4.120 0.026 0.000 0.272 410 V C -0.259 175.864 176.094 0.049 0.000 1.036 410 V CA -0.309 61.985 62.300 -0.010 0.000 0.880 410 V CB 1.523 33.236 31.823 -0.182 0.000 0.991 410 V HN 0.888 nan 8.190 nan 0.000 0.460 411 D N 4.273 124.739 120.400 0.110 0.000 2.274 411 D HA 0.323 4.979 4.640 0.026 0.000 0.239 411 D C -0.273 176.222 176.300 0.325 0.000 1.104 411 D CA -0.151 54.016 54.000 0.277 0.000 0.840 411 D CB 1.204 42.209 40.800 0.342 0.000 1.100 411 D HN 0.695 nan 8.370 nan 0.000 0.477 412 E N 2.394 122.746 120.200 0.253 0.000 2.191 412 E HA 0.600 4.966 4.350 0.026 0.000 0.263 412 E C -0.971 175.760 176.600 0.219 0.000 0.881 412 E CA -1.045 55.484 56.400 0.215 0.000 0.757 412 E CB 1.232 31.012 29.700 0.133 0.000 1.147 412 E HN 0.463 nan 8.360 nan 0.000 0.414 413 A N 4.146 127.087 122.820 0.201 0.000 2.520 413 A HA 0.006 4.341 4.320 0.026 0.000 0.235 413 A C 0.431 178.128 177.584 0.190 0.000 1.065 413 A CA -0.159 51.975 52.037 0.162 0.000 0.764 413 A CB 0.106 19.164 19.000 0.095 0.000 1.002 413 A HN 0.730 nan 8.150 nan 0.000 0.502 414 N N 1.218 120.037 118.700 0.199 0.000 2.971 414 N HA 0.213 4.969 4.740 0.026 0.000 0.294 414 N C -0.976 174.653 175.510 0.198 0.000 1.210 414 N CA 0.272 53.468 53.050 0.244 0.000 1.157 414 N CB -0.870 37.763 38.487 0.245 0.000 1.450 414 N HN 0.479 nan 8.380 nan 0.000 0.527 415 I N 1.451 122.133 120.570 0.186 0.000 2.517 415 I HA 0.252 4.438 4.170 0.026 0.000 0.280 415 I C -1.014 175.202 176.117 0.164 0.000 1.061 415 I CA -0.820 60.576 61.300 0.159 0.000 1.091 415 I CB 1.675 39.739 38.000 0.107 0.000 1.205 415 I HN -0.179 nan 8.210 nan 0.000 0.459 416 V N 4.084 124.094 119.914 0.161 0.000 2.524 416 V HA 0.363 4.499 4.120 0.026 0.000 0.297 416 V C 0.324 176.491 176.094 0.121 0.000 1.035 416 V CA -0.446 61.919 62.300 0.109 0.000 0.867 416 V CB 1.973 33.843 31.823 0.078 0.000 1.004 416 V HN 0.804 nan 8.190 nan 0.000 0.426 417 T N -1.192 113.428 114.554 0.109 0.000 3.393 417 T HA 0.172 4.537 4.350 0.026 0.000 0.255 417 T C 0.945 175.702 174.700 0.096 0.000 1.008 417 T CA -0.216 61.974 62.100 0.150 0.000 1.053 417 T CB -0.284 68.654 68.868 0.117 0.000 1.120 417 T HN 0.570 nan 8.240 nan 0.000 0.538 418 H N 2.310 121.289 119.070 -0.152 0.000 2.387 418 H HA 0.086 4.657 4.556 0.026 0.000 0.299 418 H C 2.163 177.350 175.328 -0.234 0.000 1.099 418 H CA 1.907 57.830 56.048 -0.209 0.000 1.315 418 H CB -0.464 29.137 29.762 -0.267 0.000 1.380 418 H HN 0.609 nan 8.280 nan 0.000 0.513 419 G N -0.303 108.294 108.800 -0.337 0.000 2.712 419 G HA2 -0.007 3.968 3.960 0.026 0.000 0.212 419 G HA3 -0.007 3.968 3.960 0.026 0.000 0.212 419 G C 0.631 175.588 174.900 0.095 0.000 1.142 419 G CA -0.268 44.658 45.100 -0.290 0.000 0.789 419 G HN 0.138 nan 8.290 nan 0.000 0.535 420 M N 0.806 120.531 119.600 0.208 0.000 2.245 420 M HA 0.232 4.728 4.480 0.026 0.000 0.330 420 M C -0.397 175.916 176.300 0.021 0.000 1.098 420 M CA -0.013 55.365 55.300 0.130 0.000 1.172 420 M CB 1.331 33.971 32.600 0.068 0.000 1.467 420 M HN -0.205 nan 8.290 nan 0.000 0.454 421 V N 4.852 124.763 119.914 -0.005 0.000 2.376 421 V HA 0.358 4.494 4.120 0.026 0.000 0.287 421 V C -1.812 174.264 176.094 -0.030 0.000 1.015 421 V CA -1.292 60.992 62.300 -0.028 0.000 0.834 421 V CB 1.505 33.306 31.823 -0.036 0.000 1.001 421 V HN 0.737 nan 8.190 nan 0.000 0.428 422 P HA 0.246 nan 4.420 nan 0.000 0.277 422 P C 1.026 178.321 177.300 -0.009 0.000 1.276 422 P CA -0.531 62.556 63.100 -0.022 0.000 0.788 422 P CB 1.110 32.802 31.700 -0.014 0.000 1.114 423 M N 0.343 119.946 119.600 0.005 0.000 2.267 423 M HA -0.158 4.337 4.480 0.026 0.000 0.263 423 M C 1.338 177.666 176.300 0.047 0.000 1.063 423 M CA 1.756 57.077 55.300 0.034 0.000 1.090 423 M CB -0.453 32.176 32.600 0.048 0.000 1.392 423 M HN 0.374 nan 8.290 nan 0.000 0.422 424 N N -0.093 118.630 118.700 0.040 0.000 2.268 424 N HA -0.073 4.682 4.740 0.026 0.000 0.204 424 N C 1.174 176.670 175.510 -0.024 0.000 1.124 424 N CA 0.144 53.221 53.050 0.045 0.000 0.838 424 N CB -0.609 37.926 38.487 0.080 0.000 0.994 424 N HN 0.364 nan 8.380 nan 0.000 0.489 425 R N 0.467 120.934 120.500 -0.056 0.000 2.103 425 R HA -0.003 4.353 4.340 0.026 0.000 0.242 425 R C 1.576 177.770 176.300 -0.177 0.000 1.142 425 R CA 1.301 57.341 56.100 -0.099 0.000 0.960 425 R CB -0.039 30.197 30.300 -0.107 0.000 0.858 425 R HN 0.261 nan 8.270 nan 0.000 0.439 426 L N -0.509 120.543 121.223 -0.285 0.000 2.127 426 L HA -0.031 4.325 4.340 0.026 0.000 0.203 426 L C 2.514 179.243 176.870 -0.236 0.000 1.080 426 L CA 1.436 55.976 54.840 -0.501 0.000 0.768 426 L CB -0.533 40.992 42.059 -0.890 0.000 0.924 426 L HN 0.387 nan 8.230 nan 0.000 0.444 427 T N -4.479 109.977 114.554 -0.164 0.000 3.035 427 T HA -0.155 4.210 4.350 0.026 0.000 0.268 427 T C 1.284 175.908 174.700 -0.128 0.000 1.109 427 T CA 1.214 63.213 62.100 -0.169 0.000 1.119 427 T CB -0.178 68.571 68.868 -0.197 0.000 0.900 427 T HN 0.133 nan 8.240 nan 0.000 0.503 428 D N 0.966 121.321 120.400 -0.076 0.000 2.354 428 D HA 0.068 4.724 4.640 0.026 0.000 0.209 428 D C 0.110 176.396 176.300 -0.024 0.000 1.015 428 D CA -0.047 53.920 54.000 -0.055 0.000 0.867 428 D CB -0.104 40.673 40.800 -0.038 0.000 0.933 428 D HN 0.278 nan 8.370 nan 0.000 0.520 429 D N 0.077 120.475 120.400 -0.003 0.000 2.325 429 D HA 0.043 4.698 4.640 0.026 0.000 0.251 429 D C -1.579 174.780 176.300 0.098 0.000 1.196 429 D CA -1.973 52.067 54.000 0.068 0.000 0.866 429 D CB 1.666 42.552 40.800 0.144 0.000 1.101 429 D HN 0.068 nan 8.370 nan 0.000 0.476 430 P HA -0.080 nan 4.420 nan 0.000 0.226 430 P C 0.836 178.143 177.300 0.013 0.000 1.153 430 P CA 0.568 63.681 63.100 0.023 0.000 0.777 430 P CB 0.338 32.040 31.700 0.003 0.000 0.794 431 R N -1.935 118.581 120.500 0.027 0.000 2.307 431 R HA -0.002 4.353 4.340 0.026 0.000 0.199 431 R C 1.150 177.321 176.300 -0.216 0.000 1.000 431 R CA 0.722 56.769 56.100 -0.088 0.000 1.023 431 R CB -0.351 29.883 30.300 -0.110 0.000 0.908 431 R HN 0.313 nan 8.270 nan 0.000 0.473 432 W N -0.514 120.733 121.300 -0.089 0.000 3.127 432 W HA 0.147 4.821 4.660 0.025 0.000 0.344 432 W C 1.417 177.878 176.519 -0.097 0.000 1.151 432 W CA -0.538 56.753 57.345 -0.090 0.000 1.765 432 W CB 0.153 29.557 29.460 -0.092 0.000 1.085 432 W HN -0.003 nan 8.180 nan 0.000 0.596 433 L N 2.200 123.454 121.223 0.052 0.000 2.017 433 L HA -0.033 4.323 4.340 0.026 0.000 0.208 433 L C -0.665 176.169 176.870 -0.060 0.000 1.073 433 L CA 2.305 57.133 54.840 -0.020 0.000 0.745 433 L CB -1.675 40.361 42.059 -0.039 0.000 0.894 433 L HN -0.243 nan 8.230 nan 0.000 0.432 434 P HA -0.220 nan 4.420 nan 0.000 0.213 434 P C 1.640 178.888 177.300 -0.086 0.000 1.170 434 P CA 2.378 65.418 63.100 -0.101 0.000 0.902 434 P CB -0.290 31.341 31.700 -0.115 0.000 0.789 435 A N -1.220 121.562 122.820 -0.063 0.000 1.940 435 A HA -0.237 4.098 4.320 0.026 0.000 0.219 435 A C 2.233 179.832 177.584 0.024 0.000 1.176 435 A CA 2.243 54.278 52.037 -0.005 0.000 0.631 435 A CB -1.494 17.532 19.000 0.043 0.000 0.814 435 A HN 0.135 nan 8.150 nan 0.000 0.446 436 M N -0.003 119.613 119.600 0.027 0.000 2.156 436 M HA -0.131 4.364 4.480 0.026 0.000 0.264 436 M C 2.590 178.828 176.300 -0.103 0.000 1.067 436 M CA 1.683 56.973 55.300 -0.017 0.000 1.131 436 M CB -0.396 32.178 32.600 -0.044 0.000 1.368 436 M HN 0.668 nan 8.290 nan 0.000 0.416 437 S N 0.533 116.143 115.700 -0.151 0.000 2.359 437 S HA -0.200 4.286 4.470 0.026 0.000 0.224 437 S C 1.644 176.058 174.600 -0.311 0.000 1.035 437 S CA 1.584 59.620 58.200 -0.272 0.000 1.018 437 S CB -0.692 62.334 63.200 -0.290 0.000 0.876 437 S HN 0.508 nan 8.310 nan 0.000 0.448 438 E N 0.933 121.006 120.200 -0.212 0.000 2.209 438 E HA -0.102 4.263 4.350 0.026 0.000 0.196 438 E C 2.403 178.912 176.600 -0.152 0.000 0.993 438 E CA 0.956 57.245 56.400 -0.185 0.000 0.819 438 E CB -0.128 29.502 29.700 -0.116 0.000 0.745 438 E HN 0.573 nan 8.360 nan 0.000 0.477 439 R N -0.174 120.262 120.500 -0.106 0.000 2.153 439 R HA -0.033 4.323 4.340 0.026 0.000 0.218 439 R C 2.157 178.411 176.300 -0.077 0.000 1.072 439 R CA 0.474 56.544 56.100 -0.050 0.000 0.990 439 R CB 0.205 30.514 30.300 0.015 0.000 0.889 439 R HN 0.022 nan 8.270 nan 0.000 0.452 440 V N 0.145 119.962 119.914 -0.162 0.000 2.374 440 V HA -0.169 3.966 4.120 0.026 0.000 0.241 440 V C 2.476 178.385 176.094 -0.308 0.000 1.034 440 V CA 2.107 64.288 62.300 -0.198 0.000 1.037 440 V CB -0.171 31.529 31.823 -0.206 0.000 0.682 440 V HN 0.491 nan 8.190 nan 0.000 0.463 441 T N -0.562 113.674 114.554 -0.530 0.000 2.746 441 T HA -0.247 4.118 4.350 0.026 0.000 0.267 441 T C 1.899 176.458 174.700 -0.234 0.000 1.039 441 T CA 1.437 63.139 62.100 -0.662 0.000 1.142 441 T CB -0.410 67.914 68.868 -0.906 0.000 0.866 441 T HN 0.398 nan 8.240 nan 0.000 0.444 442 R N 0.069 120.450 120.500 -0.199 0.000 2.276 442 R HA 0.314 4.669 4.340 0.026 0.000 0.203 442 R C 2.504 178.736 176.300 -0.114 0.000 1.017 442 R CA 0.830 56.850 56.100 -0.134 0.000 1.010 442 R CB -0.338 29.887 30.300 -0.125 0.000 0.900 442 R HN 0.492 nan 8.270 nan 0.000 0.469 443 M N 0.295 119.831 119.600 -0.108 0.000 2.160 443 M HA -0.095 4.401 4.480 0.026 0.000 0.264 443 M C 1.742 177.968 176.300 -0.124 0.000 1.073 443 M CA 1.485 56.744 55.300 -0.067 0.000 1.142 443 M CB 0.231 32.828 32.600 -0.004 0.000 1.358 443 M HN -0.039 nan 8.290 nan 0.000 0.422 444 V N 1.195 120.942 119.914 -0.278 0.000 2.295 444 V HA -0.298 3.837 4.120 0.026 0.000 0.246 444 V C 2.282 178.270 176.094 -0.176 0.000 1.049 444 V CA 2.022 64.041 62.300 -0.467 0.000 1.024 444 V CB -1.087 30.461 31.823 -0.458 0.000 0.648 444 V HN 0.577 nan 8.190 nan 0.000 0.447 445 Q N -0.502 119.243 119.800 -0.092 0.000 2.135 445 Q HA -0.262 4.093 4.340 0.026 0.000 0.204 445 Q C 2.508 178.445 176.000 -0.106 0.000 0.981 445 Q CA 1.899 57.661 55.803 -0.068 0.000 0.856 445 Q CB -0.237 28.486 28.738 -0.025 0.000 0.902 445 Q HN 0.546 nan 8.270 nan 0.000 0.425 446 R N 0.183 120.607 120.500 -0.126 0.000 2.093 446 R HA -0.098 4.257 4.340 0.026 0.000 0.224 446 R C 0.546 176.782 176.300 -0.107 0.000 1.101 446 R CA 1.352 57.355 56.100 -0.161 0.000 0.979 446 R CB 0.389 30.587 30.300 -0.170 0.000 0.877 446 R HN 0.148 nan 8.270 nan 0.000 0.441 447 D N -0.432 119.961 120.400 -0.011 0.000 2.407 447 D HA 0.003 4.658 4.640 0.026 0.000 0.208 447 D C 1.404 177.826 176.300 0.204 0.000 1.083 447 D CA 0.116 54.166 54.000 0.085 0.000 0.844 447 D CB 0.273 41.065 40.800 -0.013 0.000 0.967 447 D HN 0.347 nan 8.370 nan 0.000 0.506 448 R N 0.682 121.301 120.500 0.198 0.000 2.193 448 R HA -0.009 4.346 4.340 0.026 0.000 0.229 448 R C 0.931 177.242 176.300 0.019 0.000 1.110 448 R CA 0.927 57.162 56.100 0.226 0.000 0.988 448 R CB -0.306 30.039 30.300 0.075 0.000 0.871 448 R HN -0.065 nan 8.270 nan 0.000 0.458 449 N N 0.321 118.955 118.700 -0.111 0.000 2.463 449 N HA -0.024 4.731 4.740 0.026 0.000 0.181 449 N C -0.315 175.066 175.510 -0.216 0.000 1.078 449 N CA 0.399 53.339 53.050 -0.184 0.000 0.902 449 N CB -0.018 38.310 38.487 -0.264 0.000 0.970 449 N HN 0.308 nan 8.380 nan 0.000 0.451 450 H N 1.515 120.525 119.070 -0.100 0.000 2.819 450 H HA 0.062 4.633 4.556 0.025 0.000 0.303 450 H C -1.152 174.035 175.328 -0.234 0.000 1.058 450 H CA -1.073 54.900 56.048 -0.126 0.000 1.471 450 H CB 1.275 30.997 29.762 -0.067 0.000 1.480 450 H HN 0.104 nan 8.280 nan 0.000 0.517 451 P HA -0.177 nan 4.420 nan 0.000 0.217 451 P C 1.543 178.428 177.300 -0.693 0.000 1.150 451 P CA 1.377 64.139 63.100 -0.564 0.000 0.832 451 P CB 0.243 31.374 31.700 -0.950 0.000 0.787 452 S N -0.387 114.975 115.700 -0.564 0.000 2.400 452 S HA -0.083 4.402 4.470 0.026 0.000 0.232 452 S C 1.165 175.758 174.600 -0.012 0.000 1.025 452 S CA 0.667 58.733 58.200 -0.224 0.000 0.993 452 S CB -1.740 61.461 63.200 0.002 0.000 0.808 452 S HN -0.037 nan 8.310 nan 0.000 0.478 453 V N 3.860 123.733 119.914 -0.067 0.000 2.421 453 V HA 0.168 4.303 4.120 0.026 0.000 0.271 453 V C 1.208 177.160 176.094 -0.236 0.000 1.031 453 V CA 0.202 62.413 62.300 -0.149 0.000 1.032 453 V CB -0.053 31.590 31.823 -0.300 0.000 1.009 453 V HN 0.629 nan 8.190 nan 0.000 0.477 454 I N 2.775 123.261 120.570 -0.139 0.000 3.790 454 I HA 0.456 4.641 4.170 0.026 0.000 0.305 454 I C 0.488 176.484 176.117 -0.201 0.000 1.253 454 I CA 0.605 61.833 61.300 -0.120 0.000 1.355 454 I CB 0.407 38.416 38.000 0.016 0.000 1.137 454 I HN 0.299 nan 8.210 nan 0.000 0.435 455 I N 0.152 120.587 120.570 -0.224 0.000 2.619 455 I HA 0.357 4.543 4.170 0.026 0.000 0.292 455 I C -1.393 174.606 176.117 -0.196 0.000 1.100 455 I CA -0.496 60.708 61.300 -0.159 0.000 1.043 455 I CB 1.795 39.800 38.000 0.008 0.000 1.239 455 I HN 0.032 nan 8.210 nan 0.000 0.420 456 W N 3.657 125.006 121.300 0.082 0.000 2.375 456 W HA 0.613 5.286 4.660 0.021 0.000 0.336 456 W C 0.508 177.089 176.519 0.104 0.000 1.160 456 W CA -0.516 56.882 57.345 0.088 0.000 1.266 456 W CB 1.363 30.869 29.460 0.077 0.000 1.195 456 W HN 0.316 nan 8.180 nan 0.000 0.599 457 S N 1.863 117.796 115.700 0.389 0.000 2.538 457 S HA 0.402 4.888 4.470 0.026 0.000 0.288 457 S C 0.027 174.775 174.600 0.247 0.000 1.108 457 S CA -0.716 57.655 58.200 0.284 0.000 0.971 457 S CB 0.750 64.077 63.200 0.212 0.000 1.041 457 S HN 0.558 nan 8.310 nan 0.000 0.483 458 L N 4.106 125.450 121.223 0.202 0.000 2.627 458 L HA 0.374 4.729 4.340 0.026 0.000 0.233 458 L C 1.354 178.234 176.870 0.017 0.000 1.144 458 L CA 0.447 55.313 54.840 0.043 0.000 0.892 458 L CB -1.132 40.852 42.059 -0.126 0.000 1.039 458 L HN 0.989 nan 8.230 nan 0.000 0.442 459 G N 0.184 109.094 108.800 0.183 0.000 2.342 459 G HA2 -0.168 3.807 3.960 0.026 0.000 0.220 459 G HA3 -0.168 3.807 3.960 0.026 0.000 0.220 459 G C -1.444 173.658 174.900 0.338 0.000 1.243 459 G CA -0.632 44.603 45.100 0.226 0.000 1.083 459 G HN 0.187 nan 8.290 nan 0.000 0.500 460 N N 0.330 119.164 118.700 0.223 0.000 2.308 460 N HA 0.501 5.256 4.740 0.026 0.000 0.283 460 N C -0.492 174.972 175.510 -0.075 0.000 1.105 460 N CA 0.182 53.222 53.050 -0.018 0.000 0.840 460 N CB 1.614 39.814 38.487 -0.478 0.000 1.633 460 N HN 0.919 nan 8.380 nan 0.000 0.476 461 E N 0.475 120.557 120.200 -0.196 0.000 2.183 461 E HA -0.174 4.192 4.350 0.026 0.000 0.196 461 E C -0.823 175.761 176.600 -0.027 0.000 1.364 461 E CA 0.767 57.013 56.400 -0.258 0.000 0.700 461 E CB -1.362 27.924 29.700 -0.690 0.000 1.106 461 E HN 0.409 nan 8.360 nan 0.000 0.347 462 S N 0.083 115.881 115.700 0.163 0.000 2.809 462 S HA 0.431 4.917 4.470 0.026 0.000 0.248 462 S C 0.754 175.539 174.600 0.307 0.000 1.071 462 S CA -0.210 58.140 58.200 0.250 0.000 1.059 462 S CB 1.289 64.698 63.200 0.348 0.000 0.923 462 S HN 0.849 nan 8.310 nan 0.000 0.516 463 G N 2.049 110.956 108.800 0.179 0.000 2.578 463 G HA2 -0.275 3.700 3.960 0.026 0.000 0.275 463 G HA3 -0.275 3.700 3.960 0.026 0.000 0.275 463 G C -0.473 174.588 174.900 0.268 0.000 1.271 463 G CA -0.039 45.157 45.100 0.160 0.000 0.941 463 G HN 0.626 nan 8.290 nan 0.000 0.564 464 H N 0.772 119.940 119.070 0.164 0.000 2.727 464 H HA 0.577 5.149 4.556 0.027 0.000 0.330 464 H C 0.300 175.789 175.328 0.268 0.000 0.986 464 H CA 0.113 56.299 56.048 0.230 0.000 1.251 464 H CB 0.690 30.528 29.762 0.127 0.000 1.493 464 H HN 1.041 nan 8.280 nan 0.000 0.515 465 G N 1.618 110.427 108.800 0.016 0.000 2.537 465 G HA2 0.452 4.427 3.960 0.026 0.000 0.308 465 G HA3 0.452 4.427 3.960 0.026 0.000 0.308 465 G C 0.667 175.396 174.900 -0.284 0.000 1.237 465 G CA -0.141 44.862 45.100 -0.162 0.000 0.968 465 G HN 0.686 nan 8.290 nan 0.000 0.481 466 A N 0.740 123.451 122.820 -0.182 0.000 1.948 466 A HA -0.156 4.179 4.320 0.026 0.000 0.220 466 A C 2.208 179.749 177.584 -0.071 0.000 1.177 466 A CA 2.108 54.084 52.037 -0.102 0.000 0.636 466 A CB -0.499 18.473 19.000 -0.046 0.000 0.815 466 A HN 0.566 nan 8.150 nan 0.000 0.449 467 N N -0.372 118.257 118.700 -0.119 0.000 2.149 467 N HA -0.166 4.589 4.740 0.026 0.000 0.188 467 N C 1.426 176.850 175.510 -0.143 0.000 1.019 467 N CA 1.839 54.803 53.050 -0.143 0.000 0.857 467 N CB -0.733 37.634 38.487 -0.199 0.000 0.997 467 N HN 0.799 nan 8.380 nan 0.000 0.426 468 H N 0.410 119.437 119.070 -0.072 0.000 2.321 468 H HA -0.045 4.526 4.556 0.025 0.000 0.300 468 H C 1.354 176.735 175.328 0.088 0.000 1.087 468 H CA 1.429 57.450 56.048 -0.044 0.000 1.319 468 H CB 0.076 29.815 29.762 -0.038 0.000 1.379 468 H HN 0.181 nan 8.280 nan 0.000 0.501 469 D N 0.354 120.889 120.400 0.224 0.000 2.104 469 D HA -0.152 4.503 4.640 0.026 0.000 0.194 469 D C 2.335 178.779 176.300 0.240 0.000 0.994 469 D CA 1.243 55.386 54.000 0.237 0.000 0.830 469 D CB -0.544 40.365 40.800 0.182 0.000 0.959 469 D HN 0.427 nan 8.370 nan 0.000 0.452 470 A N 0.787 123.693 122.820 0.144 0.000 1.883 470 A HA -0.156 4.179 4.320 0.026 0.000 0.217 470 A C 2.428 180.105 177.584 0.155 0.000 1.186 470 A CA 1.171 53.283 52.037 0.124 0.000 0.624 470 A CB -0.827 18.205 19.000 0.053 0.000 0.822 470 A HN 0.228 nan 8.150 nan 0.000 0.444 471 L N -2.288 119.009 121.223 0.123 0.000 2.179 471 L HA -0.116 4.240 4.340 0.026 0.000 0.208 471 L C 2.540 179.534 176.870 0.207 0.000 1.096 471 L CA 1.334 56.243 54.840 0.115 0.000 0.779 471 L CB -0.674 41.385 42.059 -0.000 0.000 0.922 471 L HN 0.607 nan 8.230 nan 0.000 0.443 472 Y N 1.454 121.828 120.300 0.124 0.000 2.081 472 Y HA -0.373 4.189 4.550 0.020 0.000 0.280 472 Y C 2.824 178.804 175.900 0.134 0.000 1.163 472 Y CA 2.015 60.197 58.100 0.136 0.000 1.135 472 Y CB -0.167 38.381 38.460 0.145 0.000 0.970 472 Y HN -0.027 nan 8.280 nan 0.000 0.498 473 R N -0.319 120.275 120.500 0.158 0.000 2.092 473 R HA -0.176 4.179 4.340 0.026 0.000 0.231 473 R C 2.038 178.337 176.300 -0.001 0.000 1.119 473 R CA 1.762 57.884 56.100 0.038 0.000 0.970 473 R CB -1.295 29.111 30.300 0.176 0.000 0.864 473 R HN 0.643 nan 8.270 nan 0.000 0.440 474 W N 0.756 122.005 121.300 -0.084 0.000 2.317 474 W HA -0.208 4.467 4.660 0.025 0.000 0.318 474 W C 1.588 178.009 176.519 -0.164 0.000 1.227 474 W CA 2.340 59.622 57.345 -0.105 0.000 1.269 474 W CB -0.334 29.068 29.460 -0.097 0.000 1.155 474 W HN 0.091 nan 8.180 nan 0.000 0.484 475 I N 0.680 121.245 120.570 -0.009 0.000 2.226 475 I HA -0.338 3.847 4.170 0.026 0.000 0.245 475 I C 2.410 178.336 176.117 -0.318 0.000 1.100 475 I CA 1.351 62.497 61.300 -0.257 0.000 1.374 475 I CB -0.835 37.066 38.000 -0.165 0.000 1.057 475 I HN -0.100 nan 8.210 nan 0.000 0.413 476 K N 0.441 120.660 120.400 -0.301 0.000 2.147 476 K HA -0.133 4.202 4.320 0.026 0.000 0.205 476 K C 2.318 178.785 176.600 -0.220 0.000 1.049 476 K CA 1.390 57.521 56.287 -0.261 0.000 0.936 476 K CB -0.476 31.812 32.500 -0.353 0.000 0.722 476 K HN 0.258 nan 8.250 nan 0.000 0.446 477 S N 0.428 115.966 115.700 -0.269 0.000 2.377 477 S HA -0.052 4.434 4.470 0.026 0.000 0.223 477 S C 2.055 176.444 174.600 -0.352 0.000 1.030 477 S CA 0.744 58.786 58.200 -0.262 0.000 0.970 477 S CB 0.013 63.065 63.200 -0.246 0.000 0.830 477 S HN 0.023 nan 8.310 nan 0.000 0.473 478 V N 1.017 120.582 119.914 -0.581 0.000 2.346 478 V HA 0.053 4.189 4.120 0.026 0.000 0.244 478 V C 0.561 176.402 176.094 -0.421 0.000 1.037 478 V CA 1.596 63.500 62.300 -0.660 0.000 1.029 478 V CB -0.248 30.813 31.823 -1.270 0.000 0.663 478 V HN 0.528 nan 8.190 nan 0.000 0.454 479 D N -0.819 119.382 120.400 -0.332 0.000 2.375 479 D HA 0.273 4.928 4.640 0.026 0.000 0.259 479 D C -2.226 174.054 176.300 -0.034 0.000 1.235 479 D CA -1.930 51.990 54.000 -0.133 0.000 0.924 479 D CB 1.806 42.599 40.800 -0.010 0.000 1.143 479 D HN 0.131 nan 8.370 nan 0.000 0.529 480 P HA 0.026 nan 4.420 nan 0.000 0.249 480 P C 1.007 178.325 177.300 0.030 0.000 1.229 480 P CA 0.254 63.346 63.100 -0.013 0.000 0.788 480 P CB 0.176 31.859 31.700 -0.029 0.000 1.072 481 S N -1.046 114.681 115.700 0.045 0.000 2.522 481 S HA 0.055 4.540 4.470 0.026 0.000 0.227 481 S C 0.915 175.544 174.600 0.049 0.000 0.986 481 S CA 0.008 58.239 58.200 0.052 0.000 0.929 481 S CB -0.426 62.797 63.200 0.038 0.000 0.769 481 S HN 0.077 nan 8.310 nan 0.000 0.529 482 R N 1.365 121.910 120.500 0.074 0.000 2.575 482 R HA 0.528 4.884 4.340 0.026 0.000 0.293 482 R C -3.232 173.127 176.300 0.100 0.000 0.983 482 R CA -2.287 53.827 56.100 0.023 0.000 0.887 482 R CB 1.495 31.692 30.300 -0.172 0.000 1.184 482 R HN 0.147 nan 8.270 nan 0.000 0.445 483 P HA 0.058 nan 4.420 nan 0.000 0.269 483 P C -0.750 176.659 177.300 0.182 0.000 1.215 483 P CA -0.353 62.815 63.100 0.113 0.000 0.780 483 P CB 0.679 32.429 31.700 0.084 0.000 0.898 484 V N 2.896 122.946 119.914 0.226 0.000 2.459 484 V HA 0.368 4.503 4.120 0.026 0.000 0.295 484 V C 0.273 176.554 176.094 0.311 0.000 1.029 484 V CA -0.229 62.251 62.300 0.300 0.000 0.874 484 V CB 1.122 33.099 31.823 0.257 0.000 0.985 484 V HN 0.614 nan 8.190 nan 0.000 0.438 485 Q N 4.152 124.115 119.800 0.271 0.000 2.416 485 Q HA 0.816 5.172 4.340 0.026 0.000 0.279 485 Q C -1.763 174.412 176.000 0.292 0.000 1.101 485 Q CA -0.890 55.046 55.803 0.222 0.000 0.830 485 Q CB 2.944 31.762 28.738 0.133 0.000 1.402 485 Q HN 0.625 nan 8.270 nan 0.000 0.445 486 Y N -0.136 120.190 120.300 0.044 0.000 2.393 486 Y HA 0.120 4.683 4.550 0.022 0.000 0.320 486 Y C -0.529 175.336 175.900 -0.058 0.000 1.241 486 Y CA -0.741 57.358 58.100 -0.001 0.000 1.122 486 Y CB 1.834 40.296 38.460 0.003 0.000 1.322 486 Y HN 0.947 nan 8.280 nan 0.000 0.441 487 E N 3.436 123.204 120.200 -0.719 0.000 2.122 487 E HA 0.109 4.474 4.350 0.026 0.000 0.190 487 E C 0.737 176.913 176.600 -0.706 0.000 0.977 487 E CA 0.915 56.977 56.400 -0.563 0.000 0.820 487 E CB 0.070 29.549 29.700 -0.367 0.000 0.770 487 E HN 0.908 nan 8.360 nan 0.000 0.462 488 G N -0.131 107.881 108.800 -1.313 0.000 2.368 488 G HA2 0.177 4.153 3.960 0.026 0.000 0.233 488 G HA3 0.177 4.153 3.960 0.026 0.000 0.233 488 G C 0.825 175.563 174.900 -0.269 0.000 1.267 488 G CA 0.453 45.127 45.100 -0.711 0.000 0.873 488 G HN 0.436 nan 8.290 nan 0.000 0.539 489 G N 0.060 108.812 108.800 -0.080 0.000 2.143 489 G HA2 0.243 4.218 3.960 0.026 0.000 0.248 489 G HA3 0.243 4.218 3.960 0.026 0.000 0.248 489 G C 1.227 176.127 174.900 0.000 0.000 0.991 489 G CA 0.912 46.029 45.100 0.028 0.000 0.689 489 G HN 2.679 nan 8.290 nan 0.000 0.522 490 G N -1.470 107.326 108.800 -0.006 0.000 2.164 490 G HA2 0.477 4.453 3.960 0.026 0.000 0.154 490 G HA3 0.477 4.453 3.960 0.026 0.000 0.154 490 G C 1.013 176.037 174.900 0.208 0.000 1.014 490 G CA 1.201 46.362 45.100 0.101 0.000 0.683 490 G HN 2.322 nan 8.290 nan 0.000 0.500 491 A N -0.247 122.585 122.820 0.020 0.000 4.029 491 A HA -0.176 4.159 4.320 0.026 0.000 0.268 491 A C 1.169 178.712 177.584 -0.068 0.000 0.943 491 A CA 2.692 54.686 52.037 -0.072 0.000 1.137 491 A CB -1.700 17.221 19.000 -0.133 0.000 1.074 491 A HN 2.078 nan 8.150 nan 0.000 0.854 492 D N -0.679 119.767 120.400 0.077 0.000 2.740 492 D HA 0.334 4.990 4.640 0.026 0.000 0.301 492 D C 0.430 176.737 176.300 0.011 0.000 1.408 492 D CA 0.813 54.863 54.000 0.084 0.000 0.808 492 D CB -1.137 39.864 40.800 0.336 0.000 1.128 492 D HN 0.805 nan 8.370 nan 0.000 0.465 493 T N -2.541 111.952 114.554 -0.102 0.000 2.698 493 T HA 0.194 4.560 4.350 0.026 0.000 0.295 493 T C 1.603 176.173 174.700 -0.218 0.000 1.007 493 T CA 0.397 62.348 62.100 -0.248 0.000 0.980 493 T CB 0.762 69.271 68.868 -0.599 0.000 1.036 493 T HN 0.095 nan 8.240 nan 0.000 0.526 494 T N -2.730 111.671 114.554 -0.255 0.000 3.163 494 T HA 0.228 4.593 4.350 0.026 0.000 0.260 494 T C 1.487 175.954 174.700 -0.389 0.000 1.156 494 T CA 0.233 62.207 62.100 -0.211 0.000 1.072 494 T CB -0.482 68.333 68.868 -0.088 0.000 0.937 494 T HN 0.825 nan 8.240 nan 0.000 0.528 495 A N 0.459 123.104 122.820 -0.292 0.000 2.460 495 A HA 0.520 4.856 4.320 0.026 0.000 0.258 495 A C 0.790 178.296 177.584 -0.130 0.000 1.300 495 A CA -0.301 51.569 52.037 -0.280 0.000 0.913 495 A CB 0.058 19.168 19.000 0.182 0.000 1.031 495 A HN 0.424 nan 8.150 nan 0.000 0.512 496 T N -1.186 113.269 114.554 -0.166 0.000 3.071 496 T HA 0.310 4.675 4.350 0.026 0.000 0.311 496 T C -0.629 174.110 174.700 0.066 0.000 1.042 496 T CA -0.469 61.669 62.100 0.062 0.000 1.028 496 T CB 1.040 69.939 68.868 0.052 0.000 1.068 496 T HN 0.119 nan 8.240 nan 0.000 0.451 497 D N 3.169 123.679 120.400 0.183 0.000 2.347 497 D HA 0.180 4.836 4.640 0.026 0.000 0.215 497 D C 0.508 176.845 176.300 0.062 0.000 0.976 497 D CA 0.850 54.936 54.000 0.144 0.000 0.884 497 D CB 0.419 41.330 40.800 0.186 0.000 0.915 497 D HN 0.576 nan 8.370 nan 0.000 0.526 498 I N 1.008 121.600 120.570 0.037 0.000 2.498 498 I HA 0.248 4.433 4.170 0.026 0.000 0.290 498 I C -0.125 175.939 176.117 -0.089 0.000 1.032 498 I CA -0.938 60.348 61.300 -0.024 0.000 1.073 498 I CB 2.620 40.613 38.000 -0.012 0.000 1.251 498 I HN -0.349 nan 8.210 nan 0.000 0.426 499 I N 5.848 126.320 120.570 -0.163 0.000 2.578 499 I HA -0.006 4.179 4.170 0.026 0.000 0.286 499 I C 0.349 176.259 176.117 -0.344 0.000 1.126 499 I CA 0.147 61.255 61.300 -0.321 0.000 1.380 499 I CB -0.038 37.672 38.000 -0.484 0.000 1.408 499 I HN 0.699 nan 8.210 nan 0.000 0.532 500 C N 5.795 124.909 119.300 -0.311 0.000 3.163 500 C HA 0.475 4.950 4.460 0.026 0.000 0.228 500 C C -1.994 172.853 174.990 -0.239 0.000 1.593 500 C CA -2.205 56.681 59.018 -0.221 0.000 1.489 500 C CB -1.037 26.638 27.740 -0.107 0.000 2.294 500 C HN 0.430 nan 8.230 nan 0.000 0.508 501 P HA 0.297 nan 4.420 nan 0.000 0.273 501 P C -0.467 176.764 177.300 -0.115 0.000 1.250 501 P CA 0.297 63.267 63.100 -0.217 0.000 0.793 501 P CB 0.763 32.304 31.700 -0.265 0.000 1.011 502 M N -0.419 119.149 119.600 -0.053 0.000 2.181 502 M HA 0.435 4.930 4.480 0.026 0.000 0.323 502 M C -0.891 175.427 176.300 0.030 0.000 1.004 502 M CA -0.703 54.484 55.300 -0.188 0.000 0.941 502 M CB 1.234 33.689 32.600 -0.242 0.000 1.579 502 M HN 0.251 nan 8.290 nan 0.000 0.427 503 Y N -0.223 120.237 120.300 0.266 0.000 4.409 503 Y HA -0.218 4.348 4.550 0.027 0.000 0.228 503 Y C 0.583 176.653 175.900 0.283 0.000 1.108 503 Y CA 0.571 58.838 58.100 0.278 0.000 1.955 503 Y CB -2.467 36.138 38.460 0.241 0.000 1.615 503 Y HN 0.978 nan 8.280 nan 0.000 0.665 504 A N 1.147 124.181 122.820 0.356 0.000 2.520 504 A HA 0.475 4.810 4.320 0.026 0.000 0.245 504 A C 0.854 178.647 177.584 0.348 0.000 1.072 504 A CA -0.322 51.925 52.037 0.349 0.000 0.761 504 A CB 0.312 19.540 19.000 0.379 0.000 1.004 504 A HN 0.422 nan 8.150 nan 0.000 0.499 505 R N 1.625 122.267 120.500 0.237 0.000 2.541 505 R HA 0.341 4.697 4.340 0.026 0.000 0.263 505 R C 0.991 177.281 176.300 -0.017 0.000 1.112 505 R CA -0.738 55.434 56.100 0.120 0.000 1.170 505 R CB 0.494 30.834 30.300 0.067 0.000 1.167 505 R HN 0.479 nan 8.270 nan 0.000 0.582 506 V N 0.576 120.347 119.914 -0.239 0.000 2.283 506 V HA -0.178 3.958 4.120 0.026 0.000 0.243 506 V C 0.911 176.913 176.094 -0.152 0.000 1.039 506 V CA 1.854 63.970 62.300 -0.306 0.000 1.016 506 V CB -0.256 31.269 31.823 -0.498 0.000 0.650 506 V HN 0.737 nan 8.190 nan 0.000 0.449 507 D N -1.538 118.800 120.400 -0.102 0.000 2.473 507 D HA 0.101 4.756 4.640 0.026 0.000 0.230 507 D C 0.916 177.210 176.300 -0.010 0.000 1.097 507 D CA 0.027 53.998 54.000 -0.050 0.000 0.861 507 D CB 0.620 41.393 40.800 -0.045 0.000 1.114 507 D HN 0.444 nan 8.370 nan 0.000 0.500 508 E N 1.943 122.139 120.200 -0.008 0.000 2.194 508 E HA 0.090 4.455 4.350 0.026 0.000 0.284 508 E C -0.841 175.766 176.600 0.011 0.000 1.035 508 E CA -0.530 55.871 56.400 0.002 0.000 0.836 508 E CB 0.794 30.492 29.700 -0.002 0.000 1.070 508 E HN -0.156 nan 8.360 nan 0.000 0.401 509 D N 3.706 124.114 120.400 0.014 0.000 2.345 509 D HA 0.080 4.736 4.640 0.026 0.000 0.247 509 D C -0.515 175.677 176.300 -0.179 0.000 1.108 509 D CA 0.317 54.316 54.000 -0.001 0.000 0.894 509 D CB 1.011 41.886 40.800 0.126 0.000 1.203 509 D HN 0.381 nan 8.370 nan 0.000 0.430 510 Q N 1.972 121.543 119.800 -0.381 0.000 2.788 510 Q HA 0.230 4.585 4.340 0.026 0.000 0.261 510 Q C -2.124 173.241 176.000 -1.059 0.000 1.029 510 Q CA -1.544 53.820 55.803 -0.731 0.000 0.848 510 Q CB 1.916 30.177 28.738 -0.795 0.000 1.185 510 Q HN 0.213 nan 8.270 nan 0.000 0.482 511 P HA -0.029 nan 4.420 nan 0.000 0.232 511 P C -0.686 176.330 177.300 -0.474 0.000 1.738 511 P CA -0.116 62.577 63.100 -0.678 0.000 0.948 511 P CB -0.539 30.960 31.700 -0.334 0.000 1.943 512 F N 2.868 122.639 119.950 -0.298 0.000 2.607 512 F HA 0.085 4.627 4.527 0.024 0.000 0.374 512 F C -0.982 174.704 175.800 -0.190 0.000 1.104 512 F CA -2.206 55.676 58.000 -0.197 0.000 1.296 512 F CB -1.058 37.844 39.000 -0.163 0.000 1.085 512 F HN 0.143 nan 8.300 nan 0.000 0.584 513 P HA 0.134 nan 4.420 nan 0.000 0.268 513 P C 0.376 177.682 177.300 0.011 0.000 1.205 513 P CA 1.052 64.162 63.100 0.016 0.000 0.771 513 P CB 1.188 32.898 31.700 0.017 0.000 0.858 514 A N 2.958 125.779 122.820 0.002 0.000 2.617 514 A HA -0.251 4.084 4.320 0.026 0.000 0.236 514 A C 0.741 178.327 177.584 0.005 0.000 0.551 514 A CA 1.943 53.986 52.037 0.010 0.000 1.144 514 A CB -2.685 16.323 19.000 0.012 0.000 1.384 514 A HN 0.747 nan 8.150 nan 0.000 0.694 515 V N -3.026 116.884 119.914 -0.006 0.000 2.502 515 V HA 0.568 4.703 4.120 0.026 0.000 0.261 515 V C -2.308 173.771 176.094 -0.025 0.000 0.996 515 V CA -1.163 61.135 62.300 -0.004 0.000 1.095 515 V CB 0.660 32.489 31.823 0.010 0.000 1.325 515 V HN 0.523 nan 8.190 nan 0.000 0.574 516 P HA 0.255 nan 4.420 nan 0.000 0.270 516 P C -0.606 176.342 177.300 -0.587 0.000 1.223 516 P CA 0.060 62.800 63.100 -0.601 0.000 0.785 516 P CB 1.101 31.955 31.700 -1.410 0.000 0.923 517 K N 1.954 122.060 120.400 -0.490 0.000 2.357 517 K HA 0.198 4.534 4.320 0.026 0.000 0.251 517 K C -0.466 175.942 176.600 -0.320 0.000 1.069 517 K CA -0.238 55.948 56.287 -0.168 0.000 0.994 517 K CB 0.259 32.872 32.500 0.189 0.000 1.411 517 K HN 0.465 nan 8.250 nan 0.000 0.450 518 W N 1.410 122.489 121.300 -0.369 0.000 2.170 518 W HA 0.040 4.716 4.660 0.026 0.000 0.336 518 W C 1.261 177.831 176.519 0.084 0.000 1.283 518 W CA -0.470 56.700 57.345 -0.292 0.000 1.224 518 W CB 0.581 29.634 29.460 -0.679 0.000 1.132 518 W HN 0.372 nan 8.180 nan 0.000 0.571 519 S N 3.934 119.812 115.700 0.297 0.000 2.626 519 S HA -0.114 4.371 4.470 0.026 0.000 0.303 519 S C 1.294 176.053 174.600 0.265 0.000 1.256 519 S CA -0.079 58.238 58.200 0.195 0.000 1.069 519 S CB -0.029 63.228 63.200 0.094 0.000 0.807 519 S HN 0.495 nan 8.310 nan 0.000 0.500 520 I N 2.962 123.659 120.570 0.212 0.000 2.335 520 I HA -0.185 4.000 4.170 0.026 0.000 0.251 520 I C 1.975 178.122 176.117 0.051 0.000 1.129 520 I CA 1.415 62.826 61.300 0.185 0.000 1.402 520 I CB -0.342 37.706 38.000 0.080 0.000 1.069 520 I HN 0.554 nan 8.210 nan 0.000 0.424 521 K N 1.316 121.658 120.400 -0.096 0.000 2.103 521 K HA -0.091 4.245 4.320 0.026 0.000 0.204 521 K C 2.267 178.863 176.600 -0.006 0.000 1.052 521 K CA 1.227 57.364 56.287 -0.251 0.000 0.945 521 K CB -0.136 32.108 32.500 -0.427 0.000 0.722 521 K HN 0.364 nan 8.250 nan 0.000 0.443 522 K N 0.149 120.575 120.400 0.043 0.000 2.062 522 K HA -0.162 4.173 4.320 0.026 0.000 0.205 522 K C 1.841 178.470 176.600 0.048 0.000 1.051 522 K CA 0.878 57.176 56.287 0.020 0.000 0.941 522 K CB -0.083 32.400 32.500 -0.028 0.000 0.719 522 K HN 0.198 nan 8.250 nan 0.000 0.440 523 W N 2.215 123.499 121.300 -0.026 0.000 2.318 523 W HA -0.228 4.442 4.660 0.017 0.000 0.313 523 W C 1.682 178.184 176.519 -0.029 0.000 1.221 523 W CA 1.271 58.613 57.345 -0.006 0.000 1.266 523 W CB -0.702 28.820 29.460 0.103 0.000 1.150 523 W HN 0.114 nan 8.180 nan 0.000 0.496 524 L N 0.687 122.068 121.223 0.264 0.000 2.043 524 L HA -0.261 4.094 4.340 0.026 0.000 0.212 524 L C 2.214 179.153 176.870 0.115 0.000 1.075 524 L CA 2.149 57.079 54.840 0.149 0.000 0.752 524 L CB -1.041 41.090 42.059 0.121 0.000 0.891 524 L HN 0.011 nan 8.230 nan 0.000 0.432 525 S N -1.544 114.208 115.700 0.086 0.000 2.575 525 S HA 0.267 4.752 4.470 0.026 0.000 0.237 525 S C 0.456 175.042 174.600 -0.023 0.000 0.975 525 S CA -0.561 57.660 58.200 0.035 0.000 0.960 525 S CB -0.396 62.827 63.200 0.038 0.000 0.822 525 S HN 0.143 nan 8.310 nan 0.000 0.472 526 L N 2.101 123.296 121.223 -0.045 0.000 2.506 526 L HA 0.232 4.587 4.340 0.026 0.000 0.281 526 L C -2.150 174.675 176.870 -0.075 0.000 1.228 526 L CA -1.768 52.990 54.840 -0.137 0.000 0.850 526 L CB -0.138 41.790 42.059 -0.218 0.000 1.110 526 L HN 0.054 nan 8.230 nan 0.000 0.496 527 P HA -0.065 nan 4.420 nan 0.000 0.257 527 P C 0.707 177.991 177.300 -0.026 0.000 1.162 527 P CA 1.171 64.238 63.100 -0.055 0.000 0.762 527 P CB 0.391 32.052 31.700 -0.065 0.000 0.753 528 G N 1.873 110.666 108.800 -0.011 0.000 2.184 528 G HA2 -0.296 3.680 3.960 0.026 0.000 0.264 528 G HA3 -0.296 3.680 3.960 0.026 0.000 0.264 528 G C 0.278 175.189 174.900 0.018 0.000 0.975 528 G CA 0.232 45.334 45.100 0.004 0.000 0.642 528 G HN 0.615 nan 8.290 nan 0.000 0.536 529 E N 0.829 121.044 120.200 0.025 0.000 2.338 529 E HA 0.592 4.958 4.350 0.026 0.000 0.272 529 E C 1.409 178.034 176.600 0.042 0.000 1.029 529 E CA 0.686 57.117 56.400 0.050 0.000 0.872 529 E CB 0.786 30.541 29.700 0.092 0.000 1.015 529 E HN 0.531 nan 8.360 nan 0.000 0.417 530 T N 0.573 115.150 114.554 0.039 0.000 3.046 530 T HA 0.299 4.664 4.350 0.026 0.000 0.270 530 T C 0.583 175.296 174.700 0.022 0.000 0.920 530 T CA -0.449 61.668 62.100 0.029 0.000 0.874 530 T CB 0.045 68.927 68.868 0.025 0.000 1.214 530 T HN 0.270 nan 8.240 nan 0.000 0.536 531 R N 2.807 123.319 120.500 0.019 0.000 2.734 531 R HA 0.339 4.694 4.340 0.026 0.000 0.266 531 R C -2.400 173.887 176.300 -0.022 0.000 1.044 531 R CA -1.492 54.608 56.100 0.001 0.000 1.128 531 R CB 0.060 30.356 30.300 -0.006 0.000 1.010 531 R HN 0.299 nan 8.270 nan 0.000 0.461 532 P HA 0.008 nan 4.420 nan 0.000 0.272 532 P C -0.970 176.262 177.300 -0.114 0.000 1.223 532 P CA 0.067 63.129 63.100 -0.065 0.000 0.784 532 P CB 0.699 32.362 31.700 -0.062 0.000 0.923 533 L N 3.504 124.636 121.223 -0.151 0.000 2.319 533 L HA 0.549 4.905 4.340 0.026 0.000 0.281 533 L C -0.829 175.884 176.870 -0.262 0.000 1.005 533 L CA -0.701 54.006 54.840 -0.221 0.000 0.828 533 L CB 0.497 42.416 42.059 -0.234 0.000 1.227 533 L HN 0.249 nan 8.230 nan 0.000 0.415 534 I N 5.549 125.970 120.570 -0.249 0.000 2.478 534 I HA 0.270 4.456 4.170 0.026 0.000 0.287 534 I C -0.807 175.195 176.117 -0.192 0.000 1.042 534 I CA -0.573 60.557 61.300 -0.283 0.000 1.067 534 I CB 2.042 39.931 38.000 -0.186 0.000 1.233 534 I HN 0.450 nan 8.210 nan 0.000 0.431 535 L N 5.689 126.766 121.223 -0.243 0.000 2.418 535 L HA 0.080 4.436 4.340 0.026 0.000 0.274 535 L C 1.448 178.383 176.870 0.108 0.000 1.135 535 L CA -0.183 54.586 54.840 -0.120 0.000 0.870 535 L CB 0.737 42.691 42.059 -0.175 0.000 1.154 535 L HN 0.885 nan 8.230 nan 0.000 0.462 536 C N 0.429 119.785 119.300 0.094 0.000 2.450 536 C HA 0.077 4.552 4.460 0.026 0.000 0.279 536 C C 0.675 175.800 174.990 0.225 0.000 1.335 536 C CA -0.091 59.030 59.018 0.172 0.000 1.749 536 C CB -0.917 26.835 27.740 0.021 0.000 1.963 536 C HN 0.812 nan 8.230 nan 0.000 0.501 537 E N -0.416 119.831 120.200 0.078 0.000 2.274 537 E HA 0.595 4.960 4.350 0.026 0.000 0.269 537 E C -1.301 175.177 176.600 -0.203 0.000 0.891 537 E CA -0.328 56.069 56.400 -0.004 0.000 0.784 537 E CB 1.904 31.439 29.700 -0.274 0.000 1.225 537 E HN 0.634 nan 8.360 nan 0.000 0.412 538 Y N -0.307 119.943 120.300 -0.083 0.000 2.670 538 Y HA 0.641 5.208 4.550 0.028 0.000 0.334 538 Y C -0.718 175.336 175.900 0.258 0.000 1.185 538 Y CA -1.021 57.070 58.100 -0.015 0.000 1.053 538 Y CB 0.662 38.976 38.460 -0.244 0.000 1.298 538 Y HN 0.623 nan 8.280 nan 0.000 0.459 539 A N 2.088 124.934 122.820 0.045 0.000 2.303 539 A HA -0.244 4.092 4.320 0.026 0.000 0.286 539 A C -0.359 177.336 177.584 0.184 0.000 1.429 539 A CA 0.982 53.053 52.037 0.056 0.000 0.738 539 A CB -2.557 16.377 19.000 -0.110 0.000 1.149 539 A HN 1.187 nan 8.150 nan 0.000 0.364 540 H N 0.917 120.115 119.070 0.214 0.000 3.253 540 H HA 0.285 4.856 4.556 0.025 0.000 0.250 540 H C 1.071 176.433 175.328 0.056 0.000 1.051 540 H CA 0.859 57.028 56.048 0.201 0.000 1.458 540 H CB 0.333 30.070 29.762 -0.043 0.000 1.549 540 H HN 0.821 nan 8.280 nan 0.000 0.506 541 A N 6.730 129.446 122.820 -0.172 0.000 3.019 541 A HA 0.080 4.415 4.320 0.026 0.000 0.262 541 A C 0.810 178.193 177.584 -0.334 0.000 1.509 541 A CA -0.413 51.481 52.037 -0.238 0.000 1.159 541 A CB -0.622 18.218 19.000 -0.266 0.000 1.042 541 A HN 0.786 nan 8.150 nan 0.000 0.641 542 M N 1.519 120.945 119.600 -0.291 0.000 2.105 542 M HA 0.464 4.959 4.480 0.026 0.000 0.350 542 M C 0.947 177.068 176.300 -0.297 0.000 1.308 542 M CA 1.133 56.267 55.300 -0.277 0.000 1.108 542 M CB 0.005 32.516 32.600 -0.149 0.000 1.622 542 M HN 0.838 nan 8.290 nan 0.000 0.468 543 G N 4.261 112.860 108.800 -0.335 0.000 2.564 543 G HA2 -0.336 3.640 3.960 0.026 0.000 0.273 543 G HA3 -0.336 3.640 3.960 0.026 0.000 0.273 543 G C -0.104 174.363 174.900 -0.722 0.000 1.242 543 G CA -0.103 44.681 45.100 -0.527 0.000 0.951 543 G HN 0.853 nan 8.290 nan 0.000 0.564 544 N N 1.410 119.499 118.700 -1.018 0.000 2.410 544 N HA 0.355 5.110 4.740 0.026 0.000 0.281 544 N C 0.065 175.349 175.510 -0.378 0.000 1.241 544 N CA 1.242 53.900 53.050 -0.654 0.000 0.998 544 N CB 0.147 38.271 38.487 -0.605 0.000 1.376 544 N HN 0.746 nan 8.380 nan 0.000 0.490 545 S N 1.788 117.339 115.700 -0.248 0.000 2.903 545 S HA 0.551 5.036 4.470 0.026 0.000 0.314 545 S C 0.049 174.581 174.600 -0.113 0.000 1.177 545 S CA -0.425 57.670 58.200 -0.175 0.000 0.859 545 S CB 0.288 63.391 63.200 -0.161 0.000 1.265 545 S HN 0.395 nan 8.310 nan 0.000 0.584 546 L N 0.279 121.467 121.223 -0.059 0.000 4.351 546 L HA -0.074 4.282 4.340 0.026 0.000 0.410 546 L C 0.391 177.300 176.870 0.064 0.000 1.150 546 L CA 0.913 55.752 54.840 -0.001 0.000 0.961 546 L CB -1.611 40.355 42.059 -0.156 0.000 2.130 546 L HN 0.694 nan 8.230 nan 0.000 0.787 547 G N -0.763 108.043 108.800 0.011 0.000 2.364 547 G HA2 0.505 4.480 3.960 0.026 0.000 0.267 547 G HA3 0.505 4.480 3.960 0.026 0.000 0.267 547 G C 1.143 176.067 174.900 0.040 0.000 1.233 547 G CA 0.139 45.219 45.100 -0.034 0.000 0.885 547 G HN 1.386 nan 8.290 nan 0.000 0.490 548 G N 1.542 110.352 108.800 0.016 0.000 2.137 548 G HA2 -0.304 3.671 3.960 0.026 0.000 0.237 548 G HA3 -0.304 3.671 3.960 0.026 0.000 0.237 548 G C 0.827 175.875 174.900 0.246 0.000 1.002 548 G CA 0.649 45.806 45.100 0.095 0.000 0.702 548 G HN 0.762 nan 8.290 nan 0.000 0.515 549 F N 1.399 121.446 119.950 0.163 0.000 2.146 549 F HA 0.221 4.764 4.527 0.027 0.000 0.298 549 F C 2.613 178.605 175.800 0.320 0.000 1.096 549 F CA 2.335 60.511 58.000 0.294 0.000 1.275 549 F CB -0.341 38.778 39.000 0.198 0.000 1.008 549 F HN 0.320 nan 8.300 nan 0.000 0.480 550 A N -0.120 122.860 122.820 0.267 0.000 1.978 550 A HA -0.249 4.087 4.320 0.026 0.000 0.220 550 A C 2.277 179.884 177.584 0.037 0.000 1.170 550 A CA 1.788 53.917 52.037 0.154 0.000 0.636 550 A CB -0.835 18.258 19.000 0.155 0.000 0.810 550 A HN 0.450 nan 8.150 nan 0.000 0.448 551 K N -1.618 118.779 120.400 -0.005 0.000 2.103 551 K HA -0.201 4.134 4.320 0.026 0.000 0.207 551 K C 1.706 178.089 176.600 -0.362 0.000 1.048 551 K CA 1.748 57.950 56.287 -0.143 0.000 0.930 551 K CB -0.322 32.086 32.500 -0.154 0.000 0.716 551 K HN 0.561 nan 8.250 nan 0.000 0.444 552 Y N -0.849 119.184 120.300 -0.445 0.000 2.114 552 Y HA -0.231 4.333 4.550 0.024 0.000 0.284 552 Y C 1.975 177.023 175.900 -1.421 0.000 1.143 552 Y CA 1.695 59.171 58.100 -1.040 0.000 1.135 552 Y CB -0.470 37.299 38.460 -1.152 0.000 0.980 552 Y HN 0.178 nan 8.280 nan 0.000 0.499 553 W N -0.167 120.733 121.300 -0.667 0.000 2.467 553 W HA -0.135 4.542 4.660 0.029 0.000 0.275 553 W C 2.563 178.963 176.519 -0.198 0.000 1.239 553 W CA 1.173 58.285 57.345 -0.388 0.000 1.266 553 W CB -0.460 28.853 29.460 -0.245 0.000 1.112 553 W HN 0.043 nan 8.180 nan 0.000 0.576 554 Q N 0.938 120.721 119.800 -0.029 0.000 2.084 554 Q HA -0.174 4.181 4.340 0.026 0.000 0.202 554 Q C 2.187 178.182 176.000 -0.009 0.000 0.978 554 Q CA 2.129 57.930 55.803 -0.002 0.000 0.844 554 Q CB -0.570 28.164 28.738 -0.008 0.000 0.898 554 Q HN 0.274 nan 8.270 nan 0.000 0.426 555 A N 0.116 122.861 122.820 -0.126 0.000 1.897 555 A HA -0.115 4.220 4.320 0.026 0.000 0.215 555 A C 1.863 179.475 177.584 0.048 0.000 1.181 555 A CA 1.027 53.011 52.037 -0.089 0.000 0.620 555 A CB -0.762 18.058 19.000 -0.301 0.000 0.821 555 A HN 0.360 nan 8.150 nan 0.000 0.443 556 F N 0.326 120.154 119.950 -0.203 0.000 2.120 556 F HA -0.143 4.399 4.527 0.026 0.000 0.300 556 F C 2.534 178.268 175.800 -0.110 0.000 1.095 556 F CA 1.396 59.232 58.000 -0.273 0.000 1.249 556 F CB -0.810 37.833 39.000 -0.595 0.000 0.995 556 F HN 0.204 nan 8.300 nan 0.000 0.480 557 R N -0.463 120.135 120.500 0.163 0.000 2.093 557 R HA -0.117 4.239 4.340 0.026 0.000 0.224 557 R C 2.149 178.499 176.300 0.084 0.000 1.101 557 R CA 0.981 57.142 56.100 0.102 0.000 0.979 557 R CB -0.424 29.929 30.300 0.087 0.000 0.877 557 R HN 0.362 nan 8.270 nan 0.000 0.441 558 Q N -0.159 119.719 119.800 0.130 0.000 2.137 558 Q HA -0.071 4.284 4.340 0.026 0.000 0.198 558 Q C -0.423 175.611 176.000 0.056 0.000 0.960 558 Q CA 1.006 56.868 55.803 0.097 0.000 0.847 558 Q CB 0.325 29.149 28.738 0.143 0.000 0.915 558 Q HN 0.187 nan 8.270 nan 0.000 0.448 559 Y N 0.325 120.619 120.300 -0.010 0.000 2.367 559 Y HA 0.240 4.804 4.550 0.023 0.000 0.342 559 Y C -1.746 174.134 175.900 -0.035 0.000 0.979 559 Y CA -2.778 55.311 58.100 -0.017 0.000 1.161 559 Y CB 1.276 39.731 38.460 -0.008 0.000 1.155 559 Y HN 0.149 nan 8.280 nan 0.000 0.503 560 P HA -0.176 nan 4.420 nan 0.000 0.215 560 P C 1.133 178.434 177.300 0.001 0.000 1.157 560 P CA 1.812 64.916 63.100 0.006 0.000 0.874 560 P CB 0.303 31.993 31.700 -0.017 0.000 0.790 561 R N -1.143 119.377 120.500 0.034 0.000 2.313 561 R HA 0.130 4.486 4.340 0.026 0.000 0.199 561 R C 0.444 176.721 176.300 -0.039 0.000 0.958 561 R CA 0.034 56.134 56.100 -0.000 0.000 1.047 561 R CB -0.431 29.883 30.300 0.023 0.000 0.955 561 R HN 0.235 nan 8.270 nan 0.000 0.481 562 L N 1.866 123.080 121.223 -0.015 0.000 2.358 562 L HA 0.129 4.484 4.340 0.026 0.000 0.274 562 L C 0.614 177.296 176.870 -0.313 0.000 1.136 562 L CA 0.132 54.900 54.840 -0.120 0.000 0.970 562 L CB 0.875 42.937 42.059 0.005 0.000 1.314 562 L HN 0.070 nan 8.230 nan 0.000 0.427 563 Q N 2.002 121.562 119.800 -0.399 0.000 2.247 563 Q HA 0.260 4.616 4.340 0.026 0.000 0.205 563 Q C 0.938 176.506 176.000 -0.721 0.000 0.896 563 Q CA 0.209 55.750 55.803 -0.437 0.000 0.950 563 Q CB 0.740 29.319 28.738 -0.265 0.000 1.054 563 Q HN 0.918 nan 8.270 nan 0.000 0.482 564 G N -0.649 107.338 108.800 -1.355 0.000 2.341 564 G HA2 0.152 4.128 3.960 0.026 0.000 0.196 564 G HA3 0.152 4.128 3.960 0.026 0.000 0.196 564 G C -0.382 173.603 174.900 -1.525 0.000 1.231 564 G CA -0.756 43.152 45.100 -1.987 0.000 1.155 564 G HN 0.526 nan 8.290 nan 0.000 0.529 565 G N -2.045 106.182 108.800 -0.955 0.000 2.349 565 G HA2 0.630 4.605 3.960 0.026 0.000 0.294 565 G HA3 0.630 4.605 3.960 0.026 0.000 0.294 565 G C -1.860 172.937 174.900 -0.171 0.000 1.380 565 G CA -0.305 44.462 45.100 -0.554 0.000 0.811 565 G HN 1.125 nan 8.290 nan 0.000 0.519 566 F N 0.845 121.013 119.950 0.363 0.000 2.375 566 F HA 0.492 5.033 4.527 0.023 0.000 0.361 566 F C 0.814 176.888 175.800 0.457 0.000 1.117 566 F CA -0.787 57.459 58.000 0.411 0.000 1.037 566 F CB 1.945 41.080 39.000 0.226 0.000 1.192 566 F HN 0.235 nan 8.300 nan 0.000 0.452 567 V N 3.585 123.786 119.914 0.477 0.000 2.694 567 V HA -0.194 3.942 4.120 0.026 0.000 0.306 567 V C -0.128 176.106 176.094 0.234 0.000 1.054 567 V CA -0.095 62.277 62.300 0.120 0.000 1.161 567 V CB 0.370 32.291 31.823 0.162 0.000 0.916 567 V HN 0.743 nan 8.190 nan 0.000 0.490 568 W N 6.888 128.252 121.300 0.107 0.000 2.291 568 W HA 0.445 5.119 4.660 0.025 0.000 0.312 568 W C -0.618 175.891 176.519 -0.018 0.000 1.061 568 W CA -0.663 56.776 57.345 0.155 0.000 1.296 568 W CB 1.363 31.071 29.460 0.414 0.000 1.223 568 W HN 0.925 nan 8.180 nan 0.000 0.421 569 D N 2.972 123.107 120.400 -0.442 0.000 2.958 569 D HA 0.120 4.775 4.640 0.026 0.000 0.306 569 D C 0.805 176.904 176.300 -0.334 0.000 1.226 569 D CA -0.480 53.148 54.000 -0.619 0.000 1.032 569 D CB 0.157 40.040 40.800 -1.529 0.000 1.400 569 D HN 0.408 nan 8.370 nan 0.000 0.587 570 W N 0.366 121.371 121.300 -0.491 0.000 2.463 570 W HA 0.193 4.868 4.660 0.026 0.000 0.316 570 W C -0.093 176.239 176.519 -0.311 0.000 1.170 570 W CA 0.918 58.038 57.345 -0.376 0.000 1.355 570 W CB 0.253 29.507 29.460 -0.343 0.000 1.159 570 W HN 0.117 nan 8.180 nan 0.000 0.487 571 V N 2.697 122.410 119.914 -0.334 0.000 2.680 571 V HA 0.239 4.375 4.120 0.026 0.000 0.309 571 V C -0.769 175.151 176.094 -0.291 0.000 1.052 571 V CA -0.770 61.297 62.300 -0.388 0.000 0.908 571 V CB 1.517 33.231 31.823 -0.182 0.000 1.001 571 V HN -0.071 nan 8.190 nan 0.000 0.431 572 D N 3.762 123.997 120.400 -0.276 0.000 2.472 572 D HA 0.116 4.772 4.640 0.026 0.000 0.237 572 D C 0.212 176.332 176.300 -0.299 0.000 1.141 572 D CA 0.592 54.460 54.000 -0.220 0.000 0.875 572 D CB 0.818 41.566 40.800 -0.087 0.000 1.192 572 D HN 0.589 nan 8.370 nan 0.000 0.450 573 Q N 0.851 120.415 119.800 -0.394 0.000 3.041 573 Q HA 0.149 4.505 4.340 0.026 0.000 0.372 573 Q C -0.263 175.655 176.000 -0.135 0.000 1.241 573 Q CA -0.355 54.964 55.803 -0.807 0.000 1.010 573 Q CB 0.162 28.604 28.738 -0.494 0.000 1.467 573 Q HN 0.344 nan 8.270 nan 0.000 0.462 574 S N -0.134 115.595 115.700 0.048 0.000 2.541 574 S HA 0.622 5.107 4.470 0.026 0.000 0.283 574 S C -0.122 174.625 174.600 0.245 0.000 1.196 574 S CA -0.759 57.592 58.200 0.251 0.000 1.062 574 S CB 1.369 64.703 63.200 0.224 0.000 1.009 574 S HN 0.310 nan 8.310 nan 0.000 0.502 575 L N 2.263 123.548 121.223 0.103 0.000 2.334 575 L HA 0.522 4.878 4.340 0.026 0.000 0.273 575 L C -0.254 176.499 176.870 -0.196 0.000 1.013 575 L CA -1.274 53.516 54.840 -0.084 0.000 0.816 575 L CB 1.197 43.100 42.059 -0.260 0.000 1.278 575 L HN 0.544 nan 8.230 nan 0.000 0.431 576 I N 2.344 122.755 120.570 -0.265 0.000 2.471 576 I HA 0.233 4.418 4.170 0.026 0.000 0.286 576 I C 0.202 175.926 176.117 -0.656 0.000 1.079 576 I CA 0.161 61.177 61.300 -0.474 0.000 1.398 576 I CB 0.608 38.366 38.000 -0.403 0.000 1.403 576 I HN 0.599 nan 8.210 nan 0.000 0.530 577 K N 5.249 124.982 120.400 -1.111 0.000 2.352 577 K HA 0.613 4.948 4.320 0.026 0.000 0.240 577 K C -1.535 174.379 176.600 -1.143 0.000 1.017 577 K CA -0.728 54.886 56.287 -1.123 0.000 0.851 577 K CB 2.356 33.961 32.500 -1.490 0.000 1.261 577 K HN 0.246 nan 8.250 nan 0.000 0.451 578 Y N 0.517 120.701 120.300 -0.193 0.000 2.462 578 Y HA 0.157 4.723 4.550 0.026 0.000 0.346 578 Y C -0.002 176.039 175.900 0.234 0.000 0.976 578 Y CA -1.082 57.055 58.100 0.062 0.000 1.044 578 Y CB 1.389 39.849 38.460 0.001 0.000 1.230 578 Y HN 0.675 nan 8.280 nan 0.000 0.455 579 D N -0.421 120.205 120.400 0.375 0.000 2.469 579 D HA 0.063 4.718 4.640 0.026 0.000 0.278 579 D C 0.913 177.291 176.300 0.129 0.000 1.231 579 D CA -0.456 53.666 54.000 0.202 0.000 1.075 579 D CB 0.259 41.092 40.800 0.055 0.000 1.121 579 D HN 0.719 nan 8.370 nan 0.000 0.571 580 E N -0.795 119.443 120.200 0.063 0.000 2.267 580 E HA -0.226 4.139 4.350 0.026 0.000 0.197 580 E C 0.575 177.199 176.600 0.040 0.000 0.998 580 E CA 0.907 57.330 56.400 0.039 0.000 0.830 580 E CB -0.477 29.230 29.700 0.013 0.000 0.751 580 E HN 0.276 nan 8.360 nan 0.000 0.491 581 N N 0.429 119.161 118.700 0.053 0.000 2.280 581 N HA 0.070 4.826 4.740 0.026 0.000 0.192 581 N C 0.801 176.352 175.510 0.069 0.000 1.109 581 N CA 0.824 53.903 53.050 0.049 0.000 0.855 581 N CB 1.191 39.704 38.487 0.044 0.000 0.974 581 N HN 0.394 nan 8.380 nan 0.000 0.482 582 G N 1.212 110.075 108.800 0.105 0.000 2.198 582 G HA2 -0.281 3.695 3.960 0.026 0.000 0.257 582 G HA3 -0.281 3.695 3.960 0.026 0.000 0.257 582 G C -0.462 174.580 174.900 0.237 0.000 1.042 582 G CA -0.199 44.979 45.100 0.130 0.000 0.791 582 G HN 0.377 nan 8.290 nan 0.000 0.502 583 N N 1.542 120.391 118.700 0.249 0.000 2.438 583 N HA 0.553 5.308 4.740 0.026 0.000 0.282 583 N C -2.295 173.353 175.510 0.231 0.000 1.037 583 N CA -1.487 51.699 53.050 0.226 0.000 0.942 583 N CB 1.983 40.555 38.487 0.142 0.000 1.136 583 N HN 0.088 nan 8.380 nan 0.000 0.481 584 P HA 0.109 nan 4.420 nan 0.000 0.276 584 P C -0.923 176.332 177.300 -0.075 0.000 1.230 584 P CA -0.207 62.749 63.100 -0.239 0.000 0.776 584 P CB 0.429 32.017 31.700 -0.186 0.000 0.888 585 W N 0.363 121.417 121.300 -0.409 0.000 3.107 585 W HA 0.440 5.115 4.660 0.026 0.000 0.331 585 W C -1.412 174.939 176.519 -0.280 0.000 1.204 585 W CA -1.192 55.927 57.345 -0.376 0.000 1.184 585 W CB 0.391 29.385 29.460 -0.777 0.000 1.421 585 W HN 0.119 nan 8.180 nan 0.000 0.544 586 S N 1.879 117.614 115.700 0.059 0.000 2.416 586 S HA 0.543 5.028 4.470 0.026 0.000 0.287 586 S C 0.228 174.923 174.600 0.158 0.000 1.139 586 S CA -0.288 57.941 58.200 0.048 0.000 1.058 586 S CB 0.570 63.879 63.200 0.181 0.000 0.967 586 S HN 0.602 nan 8.310 nan 0.000 0.495 587 A N 3.278 126.020 122.820 -0.129 0.000 2.312 587 A HA 0.827 5.162 4.320 0.026 0.000 0.328 587 A C -0.428 177.351 177.584 0.325 0.000 1.158 587 A CA -0.728 51.272 52.037 -0.062 0.000 0.821 587 A CB 0.484 19.118 19.000 -0.610 0.000 1.170 587 A HN 0.822 nan 8.150 nan 0.000 0.490 588 Y N -0.017 120.571 120.300 0.481 0.000 3.072 588 Y HA 0.778 5.343 4.550 0.026 0.000 0.314 588 Y C 0.771 177.016 175.900 0.574 0.000 1.446 588 Y CA -1.316 57.071 58.100 0.477 0.000 1.055 588 Y CB -0.164 38.432 38.460 0.227 0.000 1.365 588 Y HN 0.771 nan 8.280 nan 0.000 0.657 589 G N -0.386 108.820 108.800 0.677 0.000 2.313 589 G HA2 0.397 4.372 3.960 0.026 0.000 0.250 589 G HA3 0.397 4.372 3.960 0.026 0.000 0.250 589 G C 0.788 175.992 174.900 0.506 0.000 1.281 589 G CA 0.300 45.714 45.100 0.523 0.000 0.917 589 G HN 1.844 nan 8.290 nan 0.000 0.501 590 G N 2.404 111.470 108.800 0.444 0.000 2.339 590 G HA2 -0.250 3.725 3.960 0.026 0.000 0.209 590 G HA3 -0.250 3.725 3.960 0.026 0.000 0.209 590 G C 0.852 175.937 174.900 0.308 0.000 1.015 590 G CA 0.469 45.772 45.100 0.338 0.000 0.635 590 G HN 0.598 nan 8.290 nan 0.000 0.499 591 D N 0.126 120.712 120.400 0.309 0.000 2.378 591 D HA 0.168 4.823 4.640 0.026 0.000 0.227 591 D C 0.971 177.165 176.300 -0.177 0.000 1.012 591 D CA 0.505 54.545 54.000 0.067 0.000 0.905 591 D CB -0.183 40.593 40.800 -0.040 0.000 0.895 591 D HN 0.459 nan 8.370 nan 0.000 0.532 592 F N -0.817 119.250 119.950 0.194 0.000 2.735 592 F HA 0.297 4.839 4.527 0.026 0.000 0.308 592 F C 1.726 177.611 175.800 0.142 0.000 1.112 592 F CA -0.326 57.756 58.000 0.136 0.000 1.235 592 F CB 0.832 39.910 39.000 0.130 0.000 1.027 592 F HN -0.049 nan 8.300 nan 0.000 0.528 593 G N 0.617 109.574 108.800 0.261 0.000 2.184 593 G HA2 -0.298 3.677 3.960 0.026 0.000 0.264 593 G HA3 -0.298 3.677 3.960 0.026 0.000 0.264 593 G C -0.132 174.904 174.900 0.227 0.000 0.975 593 G CA 0.282 45.504 45.100 0.205 0.000 0.642 593 G HN 0.450 nan 8.290 nan 0.000 0.536 594 D N 0.558 121.141 120.400 0.305 0.000 2.363 594 D HA 0.449 5.104 4.640 0.026 0.000 0.263 594 D C 0.016 176.437 176.300 0.201 0.000 1.258 594 D CA 0.867 55.034 54.000 0.279 0.000 0.907 594 D CB 1.346 42.370 40.800 0.374 0.000 1.107 594 D HN 0.246 nan 8.370 nan 0.000 0.495 595 T N 2.034 116.677 114.554 0.148 0.000 3.032 595 T HA 0.457 4.822 4.350 0.026 0.000 0.312 595 T C -2.737 172.002 174.700 0.065 0.000 1.078 595 T CA -1.247 60.912 62.100 0.099 0.000 1.028 595 T CB 1.222 70.148 68.868 0.097 0.000 1.091 595 T HN 0.207 nan 8.240 nan 0.000 0.457 596 P HA 0.481 nan 4.420 nan 0.000 0.274 596 P C -0.981 176.308 177.300 -0.018 0.000 1.231 596 P CA -0.462 62.639 63.100 0.002 0.000 0.790 596 P CB 0.475 32.153 31.700 -0.036 0.000 0.951 597 N N -1.384 117.307 118.700 -0.014 0.000 2.405 597 N HA 0.326 5.081 4.740 0.026 0.000 0.285 597 N C -0.920 174.538 175.510 -0.086 0.000 1.262 597 N CA -0.810 52.211 53.050 -0.047 0.000 0.773 597 N CB 1.193 39.743 38.487 0.105 0.000 1.490 597 N HN 0.113 nan 8.380 nan 0.000 0.486 598 D N -0.041 120.246 120.400 -0.189 0.000 2.643 598 D HA 0.119 4.774 4.640 0.026 0.000 0.244 598 D C 0.344 176.821 176.300 0.295 0.000 1.257 598 D CA -0.126 53.824 54.000 -0.083 0.000 0.831 598 D CB 0.185 40.765 40.800 -0.368 0.000 1.043 598 D HN 0.705 nan 8.370 nan 0.000 0.488 599 R N 0.819 121.512 120.500 0.321 0.000 3.657 599 R HA -0.314 4.042 4.340 0.026 0.000 0.533 599 R C 1.141 177.566 176.300 0.208 0.000 0.241 599 R CA 1.399 57.718 56.100 0.366 0.000 1.659 599 R CB -1.562 28.862 30.300 0.207 0.000 0.920 599 R HN 0.153 nan 8.270 nan 0.000 0.599 600 Q N 1.507 121.077 119.800 -0.384 0.000 2.482 600 Q HA 0.000 4.356 4.340 0.026 0.000 0.209 600 Q C 1.477 177.258 176.000 -0.364 0.000 0.961 600 Q CA 1.205 56.570 55.803 -0.731 0.000 0.945 600 Q CB 0.050 28.017 28.738 -1.284 0.000 1.012 600 Q HN 0.598 nan 8.270 nan 0.000 0.515 601 F N 1.478 121.368 119.950 -0.100 0.000 2.641 601 F HA -0.102 4.441 4.527 0.025 0.000 0.298 601 F C 2.192 177.997 175.800 0.007 0.000 1.146 601 F CA 0.972 58.995 58.000 0.038 0.000 1.464 601 F CB -0.132 38.950 39.000 0.137 0.000 1.101 601 F HN 0.433 nan 8.300 nan 0.000 0.585 602 C N -1.404 117.741 119.300 -0.258 0.000 2.562 602 C HA 0.197 4.672 4.460 0.026 0.000 0.266 602 C C 1.071 175.908 174.990 -0.255 0.000 1.382 602 C CA -0.436 58.225 59.018 -0.595 0.000 1.742 602 C CB -1.645 25.182 27.740 -1.522 0.000 1.812 602 C HN 0.188 nan 8.230 nan 0.000 0.559 603 M N 2.892 122.385 119.600 -0.177 0.000 2.060 603 M HA 0.276 4.771 4.480 0.026 0.000 0.342 603 M C -0.720 175.465 176.300 -0.192 0.000 1.031 603 M CA 0.296 55.499 55.300 -0.162 0.000 0.981 603 M CB -0.005 32.534 32.600 -0.102 0.000 1.376 603 M HN 0.369 nan 8.290 nan 0.000 0.397 604 N N 1.112 119.688 118.700 -0.207 0.000 2.571 604 N HA 0.307 5.062 4.740 0.026 0.000 0.298 604 N C -0.094 175.175 175.510 -0.402 0.000 1.671 604 N CA -0.554 52.321 53.050 -0.292 0.000 0.900 604 N CB 1.223 39.581 38.487 -0.215 0.000 1.365 604 N HN 0.618 nan 8.380 nan 0.000 0.493 605 G N -0.216 108.278 108.800 -0.510 0.000 2.410 605 G HA2 0.412 4.388 3.960 0.026 0.000 0.330 605 G HA3 0.412 4.388 3.960 0.026 0.000 0.330 605 G C 0.639 175.075 174.900 -0.773 0.000 1.142 605 G CA -0.679 44.063 45.100 -0.596 0.000 0.902 605 G HN 0.205 nan 8.290 nan 0.000 0.491 606 L N 0.362 121.208 121.223 -0.629 0.000 2.376 606 L HA 0.105 4.460 4.340 0.026 0.000 0.219 606 L C 0.843 177.379 176.870 -0.558 0.000 1.133 606 L CA 0.397 54.914 54.840 -0.538 0.000 0.816 606 L CB -0.432 41.414 42.059 -0.355 0.000 0.933 606 L HN 0.403 nan 8.230 nan 0.000 0.449 607 V N -5.214 114.287 119.914 -0.689 0.000 2.962 607 V HA 0.485 4.621 4.120 0.026 0.000 0.313 607 V C -0.202 175.737 176.094 -0.258 0.000 1.099 607 V CA -1.283 60.778 62.300 -0.399 0.000 0.971 607 V CB 1.582 33.057 31.823 -0.580 0.000 1.028 607 V HN -0.152 nan 8.190 nan 0.000 0.430 608 F N 1.640 121.637 119.950 0.077 0.000 2.480 608 F HA 0.554 5.097 4.527 0.026 0.000 0.319 608 F C 1.976 177.742 175.800 -0.056 0.000 1.230 608 F CA 0.630 58.663 58.000 0.055 0.000 1.285 608 F CB 0.651 39.638 39.000 -0.022 0.000 1.208 608 F HN 0.783 nan 8.300 nan 0.000 0.579 609 A N 0.597 123.531 122.820 0.189 0.000 2.032 609 A HA -0.237 4.098 4.320 0.026 0.000 0.221 609 A C 1.528 179.119 177.584 0.012 0.000 1.165 609 A CA 1.981 54.076 52.037 0.097 0.000 0.645 609 A CB -1.100 17.981 19.000 0.135 0.000 0.807 609 A HN 0.801 nan 8.150 nan 0.000 0.453 610 D N -3.438 116.976 120.400 0.024 0.000 2.328 610 D HA 0.208 4.864 4.640 0.026 0.000 0.221 610 D C 0.684 176.983 176.300 -0.001 0.000 1.072 610 D CA -0.063 53.919 54.000 -0.031 0.000 0.850 610 D CB 0.005 40.781 40.800 -0.041 0.000 0.922 610 D HN 0.204 nan 8.370 nan 0.000 0.516 611 R N -1.755 118.755 120.500 0.017 0.000 3.919 611 R HA -0.119 4.236 4.340 0.026 0.000 0.412 611 R C -0.509 175.809 176.300 0.030 0.000 1.102 611 R CA 1.034 57.138 56.100 0.006 0.000 1.082 611 R CB -3.237 27.096 30.300 0.056 0.000 1.671 611 R HN 0.245 nan 8.270 nan 0.000 0.540 612 T N 2.631 117.233 114.554 0.081 0.000 2.799 612 T HA 0.289 4.655 4.350 0.026 0.000 0.296 612 T C -2.314 172.488 174.700 0.170 0.000 0.947 612 T CA -0.786 61.377 62.100 0.106 0.000 1.141 612 T CB 0.915 69.813 68.868 0.050 0.000 0.891 612 T HN -0.084 nan 8.240 nan 0.000 0.533 613 P HA 0.050 nan 4.420 nan 0.000 0.265 613 P C 0.195 177.513 177.300 0.029 0.000 1.193 613 P CA -0.032 63.080 63.100 0.021 0.000 0.765 613 P CB 0.319 32.031 31.700 0.019 0.000 0.823 614 H N 4.058 122.993 119.070 -0.224 0.000 2.615 614 H HA 0.052 4.624 4.556 0.026 0.000 0.363 614 H C -1.280 173.964 175.328 -0.141 0.000 1.148 614 H CA -1.415 54.477 56.048 -0.260 0.000 1.401 614 H CB 0.331 29.871 29.762 -0.369 0.000 1.461 614 H HN 0.331 nan 8.280 nan 0.000 0.588 615 P HA -0.146 nan 4.420 nan 0.000 0.219 615 P C 1.118 178.416 177.300 -0.002 0.000 1.146 615 P CA 1.381 64.466 63.100 -0.024 0.000 0.808 615 P CB 0.096 31.782 31.700 -0.025 0.000 0.779 616 A N -0.737 122.086 122.820 0.006 0.000 2.019 616 A HA -0.157 4.178 4.320 0.026 0.000 0.219 616 A C 2.028 179.555 177.584 -0.095 0.000 1.164 616 A CA 1.062 53.061 52.037 -0.064 0.000 0.644 616 A CB -1.479 17.455 19.000 -0.109 0.000 0.805 616 A HN 0.154 nan 8.150 nan 0.000 0.449 617 L N -0.541 120.654 121.223 -0.046 0.000 2.046 617 L HA -0.111 4.245 4.340 0.026 0.000 0.208 617 L C 2.482 179.383 176.870 0.053 0.000 1.077 617 L CA 2.722 57.566 54.840 0.007 0.000 0.747 617 L CB -1.132 40.942 42.059 0.025 0.000 0.896 617 L HN 0.359 nan 8.230 nan 0.000 0.432 618 T N -1.618 112.975 114.554 0.064 0.000 2.915 618 T HA -0.189 4.176 4.350 0.026 0.000 0.269 618 T C 1.781 176.581 174.700 0.166 0.000 1.071 618 T CA 1.409 63.597 62.100 0.148 0.000 1.132 618 T CB -0.067 68.868 68.868 0.110 0.000 0.878 618 T HN 0.492 nan 8.240 nan 0.000 0.479 619 E N 0.810 121.039 120.200 0.049 0.000 2.047 619 E HA 0.053 4.418 4.350 0.026 0.000 0.191 619 E C 2.250 178.808 176.600 -0.070 0.000 0.987 619 E CA 1.370 57.785 56.400 0.026 0.000 0.799 619 E CB -0.633 29.041 29.700 -0.042 0.000 0.752 619 E HN 0.490 nan 8.360 nan 0.000 0.449 620 A N 1.239 123.900 122.820 -0.265 0.000 1.873 620 A HA -0.303 4.032 4.320 0.026 0.000 0.218 620 A C 2.195 179.627 177.584 -0.254 0.000 1.193 620 A CA 2.228 54.052 52.037 -0.354 0.000 0.629 620 A CB -0.790 18.041 19.000 -0.281 0.000 0.826 620 A HN 0.301 nan 8.150 nan 0.000 0.447 621 K N -1.400 118.935 120.400 -0.109 0.000 2.044 621 K HA -0.312 4.023 4.320 0.026 0.000 0.210 621 K C 2.085 178.590 176.600 -0.159 0.000 1.049 621 K CA 2.177 58.430 56.287 -0.057 0.000 0.927 621 K CB -0.362 32.261 32.500 0.205 0.000 0.713 621 K HN 0.673 nan 8.250 nan 0.000 0.443 622 H N 0.187 119.089 119.070 -0.281 0.000 2.357 622 H HA -0.018 4.554 4.556 0.026 0.000 0.301 622 H C 1.852 176.898 175.328 -0.469 0.000 1.082 622 H CA 1.720 57.399 56.048 -0.614 0.000 1.342 622 H CB 0.137 29.552 29.762 -0.578 0.000 1.389 622 H HN 0.247 nan 8.280 nan 0.000 0.511 623 Q N 0.034 119.561 119.800 -0.455 0.000 2.378 623 Q HA -0.026 4.329 4.340 0.026 0.000 0.205 623 Q C 1.292 176.747 176.000 -0.908 0.000 0.954 623 Q CA 0.883 56.349 55.803 -0.561 0.000 0.901 623 Q CB 0.276 28.882 28.738 -0.219 0.000 0.981 623 Q HN 0.692 nan 8.270 nan 0.000 0.483 624 Q N 0.010 119.248 119.800 -0.937 0.000 2.246 624 Q HA 0.102 4.457 4.340 0.026 0.000 0.202 624 Q C -0.180 175.237 176.000 -0.973 0.000 0.883 624 Q CA -0.207 54.886 55.803 -1.183 0.000 0.952 624 Q CB 0.521 28.612 28.738 -1.079 0.000 1.078 624 Q HN 0.354 nan 8.270 nan 0.000 0.493 625 Q N -0.480 118.902 119.800 -0.696 0.000 2.479 625 Q HA -0.034 4.322 4.340 0.026 0.000 0.267 625 Q C -0.196 175.395 176.000 -0.682 0.000 1.071 625 Q CA 0.495 56.008 55.803 -0.483 0.000 0.935 625 Q CB 0.428 29.011 28.738 -0.257 0.000 1.295 625 Q HN 0.300 nan 8.270 nan 0.000 0.476 626 F N -0.007 119.710 119.950 -0.388 0.000 2.664 626 F HA 0.262 4.804 4.527 0.025 0.000 0.303 626 F C -0.342 174.855 175.800 -1.006 0.000 1.092 626 F CA -0.110 57.389 58.000 -0.836 0.000 1.305 626 F CB 0.557 38.669 39.000 -1.480 0.000 1.054 626 F HN 0.275 nan 8.300 nan 0.000 0.565 627 F N 0.477 120.304 119.950 -0.205 0.000 2.539 627 F HA 0.481 5.024 4.527 0.027 0.000 0.318 627 F C -0.220 175.203 175.800 -0.629 0.000 1.135 627 F CA -1.138 56.642 58.000 -0.367 0.000 0.915 627 F CB 1.356 40.177 39.000 -0.298 0.000 1.176 627 F HN -0.304 nan 8.300 nan 0.000 0.440 628 Q N 3.160 122.684 119.800 -0.461 0.000 2.266 628 Q HA 0.580 4.935 4.340 0.026 0.000 0.261 628 Q C -1.311 174.394 176.000 -0.492 0.000 0.985 628 Q CA -0.591 54.980 55.803 -0.388 0.000 0.873 628 Q CB 2.724 31.363 28.738 -0.164 0.000 1.306 628 Q HN 0.555 nan 8.270 nan 0.000 0.447 629 F N 0.568 120.641 119.950 0.204 0.000 2.551 629 F HA 0.577 5.120 4.527 0.026 0.000 0.316 629 F C 0.485 176.525 175.800 0.400 0.000 1.089 629 F CA -0.853 57.348 58.000 0.334 0.000 0.915 629 F CB 1.945 41.270 39.000 0.542 0.000 1.186 629 F HN 0.114 nan 8.300 nan 0.000 0.456 630 R N 1.853 122.635 120.500 0.470 0.000 2.807 630 R HA 0.759 5.115 4.340 0.026 0.000 0.276 630 R C -1.929 174.389 176.300 0.030 0.000 0.979 630 R CA -1.343 54.953 56.100 0.327 0.000 0.928 630 R CB 2.965 33.366 30.300 0.169 0.000 1.191 630 R HN 0.566 nan 8.270 nan 0.000 0.471 631 L N 0.339 121.455 121.223 -0.180 0.000 2.381 631 L HA 0.500 4.856 4.340 0.026 0.000 0.274 631 L C -1.085 175.631 176.870 -0.257 0.000 0.988 631 L CA -0.010 54.526 54.840 -0.506 0.000 0.824 631 L CB 2.152 43.449 42.059 -1.270 0.000 1.263 631 L HN 0.589 nan 8.230 nan 0.000 0.410 632 S N 3.787 119.361 115.700 -0.210 0.000 2.779 632 S HA 0.709 5.195 4.470 0.026 0.000 0.293 632 S C 0.351 174.867 174.600 -0.140 0.000 1.150 632 S CA 0.280 58.401 58.200 -0.133 0.000 1.057 632 S CB 0.470 63.622 63.200 -0.080 0.000 1.021 632 S HN 1.615 nan 8.310 nan 0.000 0.485 633 G N 4.607 113.330 108.800 -0.129 0.000 2.602 633 G HA2 -0.294 3.681 3.960 0.026 0.000 0.310 633 G HA3 -0.294 3.681 3.960 0.026 0.000 0.310 633 G C 0.270 175.075 174.900 -0.159 0.000 1.183 633 G CA 0.699 45.727 45.100 -0.120 0.000 0.979 633 G HN 0.720 nan 8.290 nan 0.000 0.545 634 Q N 1.229 120.937 119.800 -0.154 0.000 2.175 634 Q HA 0.278 4.634 4.340 0.026 0.000 0.225 634 Q C -0.296 175.576 176.000 -0.213 0.000 0.837 634 Q CA 0.440 56.127 55.803 -0.192 0.000 1.032 634 Q CB 0.852 29.491 28.738 -0.166 0.000 1.137 634 Q HN 0.517 nan 8.270 nan 0.000 0.483 635 T N 0.811 115.248 114.554 -0.194 0.000 2.771 635 T HA 0.518 4.884 4.350 0.026 0.000 0.281 635 T C 0.048 174.627 174.700 -0.202 0.000 0.982 635 T CA -0.406 61.593 62.100 -0.169 0.000 0.978 635 T CB 1.313 70.114 68.868 -0.111 0.000 0.930 635 T HN 0.066 nan 8.240 nan 0.000 0.447 636 I N 2.517 122.980 120.570 -0.178 0.000 2.336 636 I HA 0.311 4.497 4.170 0.026 0.000 0.292 636 I C 0.572 176.688 176.117 -0.001 0.000 0.991 636 I CA -0.596 60.623 61.300 -0.135 0.000 1.227 636 I CB 1.262 39.196 38.000 -0.110 0.000 1.366 636 I HN 0.598 nan 8.210 nan 0.000 0.466 637 E N 6.412 126.643 120.200 0.053 0.000 2.109 637 E HA 0.391 4.756 4.350 0.026 0.000 0.278 637 E C -1.395 175.311 176.600 0.177 0.000 0.954 637 E CA -0.606 55.848 56.400 0.090 0.000 0.779 637 E CB 1.431 31.166 29.700 0.057 0.000 1.093 637 E HN 0.377 nan 8.360 nan 0.000 0.401 638 V N 4.402 124.412 119.914 0.161 0.000 2.350 638 V HA 0.265 4.400 4.120 0.026 0.000 0.276 638 V C -0.009 176.119 176.094 0.057 0.000 1.028 638 V CA -0.580 61.796 62.300 0.127 0.000 0.860 638 V CB 1.424 33.373 31.823 0.211 0.000 0.990 638 V HN 0.658 nan 8.190 nan 0.000 0.453 639 T N 3.471 118.009 114.554 -0.026 0.000 2.770 639 T HA 0.283 4.648 4.350 0.026 0.000 0.283 639 T C 0.191 174.864 174.700 -0.046 0.000 0.988 639 T CA -0.197 61.890 62.100 -0.023 0.000 0.957 639 T CB 1.393 70.233 68.868 -0.047 0.000 0.930 639 T HN 0.694 nan 8.240 nan 0.000 0.443 640 S N 2.226 117.915 115.700 -0.018 0.000 2.548 640 S HA 0.125 4.610 4.470 0.026 0.000 0.277 640 S C 0.913 175.373 174.600 -0.233 0.000 1.315 640 S CA -0.379 57.724 58.200 -0.161 0.000 1.050 640 S CB 0.448 63.626 63.200 -0.038 0.000 0.918 640 S HN 0.723 nan 8.310 nan 0.000 0.497 641 E N 2.877 122.841 120.200 -0.393 0.000 2.481 641 E HA 0.081 4.446 4.350 0.026 0.000 0.198 641 E C -0.687 175.751 176.600 -0.270 0.000 1.027 641 E CA -0.131 56.087 56.400 -0.302 0.000 0.900 641 E CB 0.252 29.761 29.700 -0.318 0.000 0.993 641 E HN 0.690 nan 8.360 nan 0.000 0.482 642 Y N 0.508 120.681 120.300 -0.212 0.000 2.578 642 Y HA -0.057 4.508 4.550 0.025 0.000 0.339 642 Y C 1.433 177.159 175.900 -0.289 0.000 1.231 642 Y CA 0.541 58.515 58.100 -0.210 0.000 1.461 642 Y CB 0.525 38.840 38.460 -0.240 0.000 1.323 642 Y HN -0.040 nan 8.280 nan 0.000 0.590 643 L N 0.932 121.984 121.223 -0.286 0.000 2.515 643 L HA 0.070 4.425 4.340 0.026 0.000 0.223 643 L C 0.556 176.920 176.870 -0.844 0.000 1.079 643 L CA 0.472 54.861 54.840 -0.752 0.000 0.857 643 L CB 0.031 41.312 42.059 -1.297 0.000 1.050 643 L HN 0.549 nan 8.230 nan 0.000 0.476 644 F N -0.715 119.245 119.950 0.018 0.000 2.577 644 F HA 0.213 4.754 4.527 0.024 0.000 0.282 644 F C 1.128 176.915 175.800 -0.022 0.000 0.957 644 F CA -0.815 57.172 58.000 -0.021 0.000 1.168 644 F CB 0.028 38.994 39.000 -0.056 0.000 0.958 644 F HN -0.174 nan 8.300 nan 0.000 0.702 645 R N 0.865 121.405 120.500 0.066 0.000 2.404 645 R HA 0.328 4.683 4.340 0.026 0.000 0.291 645 R C -0.410 175.898 176.300 0.014 0.000 1.025 645 R CA -0.491 55.599 56.100 -0.017 0.000 0.991 645 R CB 0.551 30.726 30.300 -0.209 0.000 1.053 645 R HN 0.170 nan 8.270 nan 0.000 0.479 646 H N 0.987 120.045 119.070 -0.020 0.000 2.679 646 H HA 0.005 4.576 4.556 0.025 0.000 0.369 646 H C 0.240 175.589 175.328 0.035 0.000 1.178 646 H CA 0.450 56.516 56.048 0.029 0.000 1.419 646 H CB 1.311 31.096 29.762 0.037 0.000 1.458 646 H HN 0.784 nan 8.280 nan 0.000 0.605 647 S N 1.536 117.353 115.700 0.195 0.000 3.829 647 S HA -0.055 4.430 4.470 0.026 0.000 0.250 647 S C 0.406 175.110 174.600 0.173 0.000 1.263 647 S CA -0.607 57.737 58.200 0.239 0.000 0.955 647 S CB -0.553 62.846 63.200 0.332 0.000 1.611 647 S HN 0.602 nan 8.310 nan 0.000 0.483 648 D N 0.855 121.331 120.400 0.126 0.000 2.388 648 D HA 0.083 4.739 4.640 0.026 0.000 0.221 648 D C 0.263 176.599 176.300 0.061 0.000 1.133 648 D CA -0.324 53.730 54.000 0.089 0.000 0.831 648 D CB -0.298 40.540 40.800 0.064 0.000 0.962 648 D HN 0.493 nan 8.370 nan 0.000 0.502 649 N N 0.167 118.911 118.700 0.074 0.000 2.604 649 N HA 0.131 4.886 4.740 0.026 0.000 0.284 649 N C -1.534 174.018 175.510 0.070 0.000 1.716 649 N CA -0.117 52.966 53.050 0.055 0.000 0.859 649 N CB 0.381 38.890 38.487 0.037 0.000 1.403 649 N HN -0.061 nan 8.380 nan 0.000 0.501 650 E N -0.069 120.167 120.200 0.061 0.000 2.321 650 E HA 0.555 4.920 4.350 0.026 0.000 0.278 650 E C -1.497 175.105 176.600 0.003 0.000 0.902 650 E CA -0.694 55.720 56.400 0.023 0.000 0.758 650 E CB 1.926 31.621 29.700 -0.008 0.000 1.213 650 E HN 0.247 nan 8.360 nan 0.000 0.426 651 L N 0.004 121.211 121.223 -0.027 0.000 2.455 651 L HA 0.657 5.013 4.340 0.026 0.000 0.264 651 L C -1.383 175.472 176.870 -0.024 0.000 0.968 651 L CA -1.057 53.784 54.840 0.002 0.000 0.827 651 L CB 0.960 43.044 42.059 0.042 0.000 1.317 651 L HN 0.466 nan 8.230 nan 0.000 0.407 652 L N 3.026 124.291 121.223 0.069 0.000 2.278 652 L HA 0.441 4.796 4.340 0.026 0.000 0.287 652 L C -0.161 176.866 176.870 0.261 0.000 1.072 652 L CA 0.559 55.474 54.840 0.126 0.000 0.819 652 L CB -0.117 42.047 42.059 0.175 0.000 1.176 652 L HN 0.637 nan 8.230 nan 0.000 0.435 653 H N 5.459 124.595 119.070 0.111 0.000 2.525 653 H HA 0.342 4.914 4.556 0.026 0.000 0.339 653 H C -0.940 174.486 175.328 0.164 0.000 1.109 653 H CA -0.583 55.504 56.048 0.065 0.000 1.352 653 H CB 0.780 30.543 29.762 0.001 0.000 1.461 653 H HN 0.685 nan 8.280 nan 0.000 0.533 654 W N 3.591 124.973 121.300 0.136 0.000 2.883 654 W HA 0.484 5.160 4.660 0.025 0.000 0.335 654 W C -2.030 174.526 176.519 0.062 0.000 1.083 654 W CA -1.311 56.089 57.345 0.092 0.000 1.233 654 W CB 1.111 30.613 29.460 0.069 0.000 1.412 654 W HN 0.414 nan 8.180 nan 0.000 0.490 655 M N 4.263 124.020 119.600 0.260 0.000 2.263 655 M HA 0.529 5.024 4.480 0.026 0.000 0.295 655 M C -2.229 174.221 176.300 0.250 0.000 1.028 655 M CA -0.486 54.873 55.300 0.098 0.000 0.921 655 M CB 1.921 34.533 32.600 0.020 0.000 1.601 655 M HN 0.211 nan 8.290 nan 0.000 0.440 656 V N 4.460 124.514 119.914 0.235 0.000 2.398 656 V HA 0.969 5.104 4.120 0.026 0.000 0.286 656 V C -0.261 175.923 176.094 0.151 0.000 1.026 656 V CA -0.457 61.987 62.300 0.241 0.000 0.868 656 V CB 0.963 32.953 31.823 0.277 0.000 0.982 656 V HN 0.980 nan 8.190 nan 0.000 0.443 657 A N 4.768 127.692 122.820 0.173 0.000 2.393 657 A HA 0.841 5.176 4.320 0.026 0.000 0.306 657 A C -1.259 176.436 177.584 0.184 0.000 1.050 657 A CA -0.621 51.492 52.037 0.127 0.000 0.724 657 A CB 1.595 20.634 19.000 0.064 0.000 1.248 657 A HN 0.826 nan 8.150 nan 0.000 0.424 658 L N 2.007 123.309 121.223 0.132 0.000 2.255 658 L HA 0.471 4.826 4.340 0.026 0.000 0.289 658 L C -0.514 176.447 176.870 0.151 0.000 1.046 658 L CA 0.357 55.288 54.840 0.151 0.000 0.816 658 L CB 0.050 42.167 42.059 0.097 0.000 1.197 658 L HN 0.769 nan 8.230 nan 0.000 0.427 659 D N 4.788 125.339 120.400 0.252 0.000 2.704 659 D HA -0.208 4.448 4.640 0.026 0.000 0.232 659 D C 1.182 177.513 176.300 0.052 0.000 1.183 659 D CA 1.490 55.629 54.000 0.232 0.000 0.647 659 D CB -1.110 39.801 40.800 0.184 0.000 1.013 659 D HN 1.136 nan 8.370 nan 0.000 0.415 660 G N -0.855 107.938 108.800 -0.011 0.000 2.253 660 G HA2 -0.379 3.596 3.960 0.026 0.000 0.251 660 G HA3 -0.379 3.596 3.960 0.026 0.000 0.251 660 G C 0.341 175.157 174.900 -0.140 0.000 0.998 660 G CA 0.418 45.408 45.100 -0.184 0.000 0.621 660 G HN 0.491 nan 8.290 nan 0.000 0.524 661 K N 2.038 122.403 120.400 -0.057 0.000 2.285 661 K HA 0.452 4.787 4.320 0.026 0.000 0.286 661 K C -2.537 174.044 176.600 -0.032 0.000 1.072 661 K CA -1.685 54.572 56.287 -0.049 0.000 0.913 661 K CB 1.188 33.675 32.500 -0.020 0.000 1.067 661 K HN 0.091 nan 8.250 nan 0.000 0.479 662 P HA -0.050 nan 4.420 nan 0.000 0.267 662 P C -0.151 177.132 177.300 -0.027 0.000 1.209 662 P CA -0.035 63.034 63.100 -0.051 0.000 0.763 662 P CB 0.632 32.282 31.700 -0.083 0.000 0.816 663 L N 2.090 123.311 121.223 -0.003 0.000 2.766 663 L HA 0.532 4.887 4.340 0.026 0.000 0.241 663 L C 0.323 177.204 176.870 0.018 0.000 1.080 663 L CA 0.567 55.418 54.840 0.018 0.000 0.909 663 L CB 0.173 42.264 42.059 0.052 0.000 1.277 663 L HN 0.399 nan 8.230 nan 0.000 0.510 664 A N -0.643 122.179 122.820 0.004 0.000 2.594 664 A HA 0.602 4.938 4.320 0.026 0.000 0.296 664 A C -0.805 176.623 177.584 -0.259 0.000 1.056 664 A CA 0.196 52.214 52.037 -0.033 0.000 0.693 664 A CB 1.294 20.391 19.000 0.161 0.000 1.278 664 A HN 0.157 nan 8.150 nan 0.000 0.408 665 S N -0.164 115.180 115.700 -0.593 0.000 2.625 665 S HA 0.989 5.475 4.470 0.026 0.000 0.271 665 S C -0.191 173.549 174.600 -1.433 0.000 1.161 665 S CA -0.148 57.380 58.200 -1.119 0.000 0.820 665 S CB 1.308 64.144 63.200 -0.607 0.000 1.137 665 S HN 2.581 nan 8.310 nan 0.000 0.470 666 G N -0.280 107.488 108.800 -1.720 0.000 2.550 666 G HA2 0.615 4.590 3.960 0.026 0.000 0.293 666 G HA3 0.615 4.590 3.960 0.026 0.000 0.293 666 G C -2.325 172.312 174.900 -0.438 0.000 1.402 666 G CA -0.796 43.807 45.100 -0.829 0.000 0.784 666 G HN 0.732 nan 8.290 nan 0.000 0.482 667 E N -0.530 119.671 120.200 0.002 0.000 2.260 667 E HA 0.521 4.886 4.350 0.026 0.000 0.266 667 E C -1.411 175.328 176.600 0.231 0.000 0.887 667 E CA -0.671 55.824 56.400 0.160 0.000 0.777 667 E CB 2.971 32.737 29.700 0.110 0.000 1.205 667 E HN 0.240 nan 8.360 nan 0.000 0.414 668 V N 4.045 124.120 119.914 0.268 0.000 2.483 668 V HA 0.317 4.452 4.120 0.026 0.000 0.297 668 V C -2.364 173.819 176.094 0.148 0.000 1.027 668 V CA -2.222 60.197 62.300 0.198 0.000 0.855 668 V CB 1.846 33.787 31.823 0.197 0.000 0.995 668 V HN 0.536 nan 8.190 nan 0.000 0.424 669 P HA 0.175 nan 4.420 nan 0.000 0.266 669 P C -0.704 176.646 177.300 0.084 0.000 1.195 669 P CA 0.049 63.202 63.100 0.088 0.000 0.768 669 P CB 0.517 32.265 31.700 0.079 0.000 0.838 670 L N 3.170 124.434 121.223 0.069 0.000 2.264 670 L HA 0.332 4.687 4.340 0.026 0.000 0.289 670 L C 0.430 177.360 176.870 0.100 0.000 1.044 670 L CA 0.083 54.964 54.840 0.069 0.000 0.807 670 L CB 0.866 42.926 42.059 0.002 0.000 1.192 670 L HN 0.303 nan 8.230 nan 0.000 0.425 671 D N 3.315 123.782 120.400 0.113 0.000 2.613 671 D HA 0.290 4.945 4.640 0.026 0.000 0.312 671 D C -1.152 175.220 176.300 0.119 0.000 1.202 671 D CA -0.153 53.930 54.000 0.139 0.000 0.825 671 D CB 0.852 41.728 40.800 0.127 0.000 1.113 671 D HN 0.027 nan 8.370 nan 0.000 0.502 672 V N 1.343 121.317 119.914 0.101 0.000 2.417 672 V HA 0.800 4.935 4.120 0.026 0.000 0.291 672 V C 0.888 176.836 176.094 -0.244 0.000 1.024 672 V CA -1.201 61.111 62.300 0.019 0.000 0.861 672 V CB 1.230 33.141 31.823 0.147 0.000 0.985 672 V HN 0.501 nan 8.190 nan 0.000 0.436 673 A N 7.233 129.793 122.820 -0.433 0.000 2.366 673 A HA 0.625 4.961 4.320 0.026 0.000 0.249 673 A C -2.197 175.218 177.584 -0.282 0.000 1.084 673 A CA -1.332 50.263 52.037 -0.738 0.000 0.794 673 A CB -0.214 18.567 19.000 -0.366 0.000 1.034 673 A HN 0.680 nan 8.150 nan 0.000 0.491 674 P HA 0.001 nan 4.420 nan 0.000 0.262 674 P C -0.403 176.842 177.300 -0.091 0.000 1.182 674 P CA 0.626 63.672 63.100 -0.091 0.000 0.761 674 P CB 0.617 32.274 31.700 -0.071 0.000 0.795 675 Q N -1.060 118.684 119.800 -0.093 0.000 2.305 675 Q HA -0.166 4.190 4.340 0.026 0.000 0.203 675 Q C 0.786 176.750 176.000 -0.060 0.000 0.663 675 Q CA 1.897 57.649 55.803 -0.085 0.000 1.389 675 Q CB -2.481 26.206 28.738 -0.084 0.000 1.566 675 Q HN 0.760 nan 8.270 nan 0.000 0.755 676 G N 0.133 108.900 108.800 -0.056 0.000 2.532 676 G HA2 0.584 4.560 3.960 0.026 0.000 0.291 676 G HA3 0.584 4.560 3.960 0.026 0.000 0.291 676 G C -0.328 174.565 174.900 -0.012 0.000 1.349 676 G CA -0.525 44.554 45.100 -0.035 0.000 1.038 676 G HN -0.011 nan 8.290 nan 0.000 0.518 677 K N -0.765 119.638 120.400 0.005 0.000 2.435 677 K HA 0.482 4.817 4.320 0.026 0.000 0.251 677 K C -1.038 175.586 176.600 0.040 0.000 0.954 677 K CA -0.597 55.704 56.287 0.024 0.000 0.820 677 K CB 2.591 35.102 32.500 0.018 0.000 1.292 677 K HN 0.499 nan 8.250 nan 0.000 0.436 678 Q N 2.680 122.515 119.800 0.058 0.000 2.305 678 Q HA 0.387 4.743 4.340 0.026 0.000 0.271 678 Q C -1.643 174.392 176.000 0.059 0.000 1.046 678 Q CA -0.645 55.195 55.803 0.062 0.000 0.798 678 Q CB 1.445 30.233 28.738 0.082 0.000 1.286 678 Q HN 0.527 nan 8.270 nan 0.000 0.435 679 L N 4.924 126.170 121.223 0.038 0.000 2.289 679 L HA 0.552 4.907 4.340 0.026 0.000 0.285 679 L C -0.501 176.375 176.870 0.011 0.000 1.049 679 L CA -0.602 54.249 54.840 0.019 0.000 0.804 679 L CB 1.234 43.294 42.059 0.002 0.000 1.195 679 L HN 0.588 nan 8.230 nan 0.000 0.428 680 I N 2.546 123.110 120.570 -0.009 0.000 2.439 680 I HA 0.193 4.379 4.170 0.026 0.000 0.283 680 I C -0.197 175.857 176.117 -0.105 0.000 1.023 680 I CA -0.519 60.759 61.300 -0.037 0.000 1.100 680 I CB 2.049 40.040 38.000 -0.014 0.000 1.238 680 I HN 0.549 nan 8.210 nan 0.000 0.445 681 E N 6.753 126.891 120.200 -0.102 0.000 2.290 681 E HA 0.331 4.696 4.350 0.026 0.000 0.277 681 E C -0.986 175.481 176.600 -0.221 0.000 1.035 681 E CA -0.252 56.064 56.400 -0.140 0.000 0.873 681 E CB 0.789 30.434 29.700 -0.091 0.000 1.029 681 E HN 0.458 nan 8.360 nan 0.000 0.419 682 L N 6.974 128.005 121.223 -0.319 0.000 2.397 682 L HA 0.349 4.704 4.340 0.026 0.000 0.271 682 L C -1.701 174.995 176.870 -0.291 0.000 1.148 682 L CA -2.070 52.473 54.840 -0.495 0.000 0.825 682 L CB 0.575 42.257 42.059 -0.628 0.000 1.117 682 L HN 0.592 nan 8.230 nan 0.000 0.456 683 P HA 0.004 nan 4.420 nan 0.000 0.269 683 P C -0.560 176.701 177.300 -0.065 0.000 1.209 683 P CA -0.285 62.775 63.100 -0.066 0.000 0.776 683 P CB 0.580 32.319 31.700 0.066 0.000 0.876 684 E N 1.502 121.683 120.200 -0.032 0.000 2.442 684 E HA 0.101 4.466 4.350 0.026 0.000 0.262 684 E C -0.594 176.015 176.600 0.015 0.000 1.004 684 E CA -0.132 56.255 56.400 -0.022 0.000 0.928 684 E CB 0.149 29.840 29.700 -0.015 0.000 0.937 684 E HN 0.335 nan 8.360 nan 0.000 0.446 685 L N 5.604 126.837 121.223 0.016 0.000 2.325 685 L HA 0.436 4.791 4.340 0.026 0.000 0.278 685 L C -2.054 174.839 176.870 0.039 0.000 1.023 685 L CA -2.310 52.561 54.840 0.052 0.000 0.811 685 L CB 1.325 43.423 42.059 0.065 0.000 1.249 685 L HN 0.514 nan 8.230 nan 0.000 0.431 686 P HA 0.170 nan 4.420 nan 0.000 0.275 686 P C -1.102 176.217 177.300 0.031 0.000 1.276 686 P CA -0.436 62.684 63.100 0.033 0.000 0.782 686 P CB 0.445 32.166 31.700 0.033 0.000 0.851 687 Q N 4.560 124.373 119.800 0.022 0.000 2.289 687 Q HA 0.167 4.522 4.340 0.026 0.000 0.273 687 Q C -1.666 174.347 176.000 0.022 0.000 1.029 687 Q CA -1.222 54.593 55.803 0.020 0.000 0.896 687 Q CB -0.105 28.640 28.738 0.012 0.000 1.182 687 Q HN 0.428 nan 8.270 nan 0.000 0.385 688 P HA 0.075 nan 4.420 nan 0.000 0.279 688 P C -0.548 176.765 177.300 0.023 0.000 1.239 688 P CA -0.167 62.948 63.100 0.026 0.000 0.789 688 P CB 1.218 32.938 31.700 0.033 0.000 0.933 689 E N 0.499 120.711 120.200 0.021 0.000 2.158 689 E HA -0.030 4.335 4.350 0.026 0.000 0.191 689 E C 0.675 177.288 176.600 0.022 0.000 0.982 689 E CA 0.448 56.860 56.400 0.019 0.000 0.823 689 E CB 0.022 29.731 29.700 0.016 0.000 0.766 689 E HN 0.590 nan 8.360 nan 0.000 0.468 690 S N 0.768 116.483 115.700 0.026 0.000 2.579 690 S HA 0.409 4.894 4.470 0.026 0.000 0.275 690 S C 0.251 174.872 174.600 0.036 0.000 1.345 690 S CA -0.641 57.577 58.200 0.030 0.000 1.031 690 S CB 1.417 64.636 63.200 0.032 0.000 0.892 690 S HN 0.185 nan 8.310 nan 0.000 0.529 691 A N 1.913 124.757 122.820 0.040 0.000 2.366 691 A HA 0.750 5.086 4.320 0.026 0.000 0.249 691 A C 0.981 178.599 177.584 0.058 0.000 1.084 691 A CA 0.190 52.254 52.037 0.044 0.000 0.794 691 A CB -0.584 18.443 19.000 0.045 0.000 1.034 691 A HN 2.274 nan 8.150 nan 0.000 0.491 692 G N -0.809 108.027 108.800 0.060 0.000 2.359 692 G HA2 0.429 4.404 3.960 0.026 0.000 0.303 692 G HA3 0.429 4.404 3.960 0.026 0.000 0.303 692 G C -1.128 173.813 174.900 0.068 0.000 1.293 692 G CA -0.176 44.974 45.100 0.084 0.000 0.964 692 G HN 1.144 nan 8.290 nan 0.000 0.531 693 Q N -0.132 119.729 119.800 0.101 0.000 2.314 693 Q HA 0.704 5.059 4.340 0.026 0.000 0.259 693 Q C -0.207 175.846 176.000 0.088 0.000 0.951 693 Q CA -0.517 55.301 55.803 0.024 0.000 0.909 693 Q CB 1.148 29.862 28.738 -0.040 0.000 1.236 693 Q HN 0.559 nan 8.270 nan 0.000 0.444 694 L N 4.596 125.812 121.223 -0.011 0.000 2.360 694 L HA 0.342 4.697 4.340 0.026 0.000 0.276 694 L C -0.703 176.149 176.870 -0.030 0.000 1.121 694 L CA -0.197 54.675 54.840 0.052 0.000 0.845 694 L CB 0.486 42.563 42.059 0.030 0.000 1.143 694 L HN 0.645 nan 8.230 nan 0.000 0.452 695 W N 4.714 126.063 121.300 0.081 0.000 2.587 695 W HA 0.508 5.183 4.660 0.025 0.000 0.324 695 W C -0.577 176.036 176.519 0.156 0.000 1.040 695 W CA -0.528 56.885 57.345 0.114 0.000 1.222 695 W CB 1.644 31.187 29.460 0.139 0.000 1.381 695 W HN 0.164 nan 8.180 nan 0.000 0.483 696 L N 3.699 125.172 121.223 0.418 0.000 2.309 696 L HA 0.760 5.116 4.340 0.026 0.000 0.282 696 L C -0.277 176.874 176.870 0.468 0.000 1.036 696 L CA 0.128 55.212 54.840 0.407 0.000 0.806 696 L CB 1.433 43.704 42.059 0.353 0.000 1.220 696 L HN 0.314 nan 8.230 nan 0.000 0.429 697 T N 4.753 119.538 114.554 0.385 0.000 2.879 697 T HA 0.612 4.978 4.350 0.026 0.000 0.290 697 T C -0.824 174.059 174.700 0.305 0.000 0.993 697 T CA -0.487 61.805 62.100 0.320 0.000 0.975 697 T CB 1.502 70.507 68.868 0.228 0.000 0.981 697 T HN 0.598 nan 8.240 nan 0.000 0.439 698 V N 1.653 121.719 119.914 0.255 0.000 2.581 698 V HA 0.841 4.976 4.120 0.026 0.000 0.303 698 V C -0.559 175.602 176.094 0.111 0.000 1.041 698 V CA -1.082 61.317 62.300 0.166 0.000 0.907 698 V CB 1.693 33.538 31.823 0.036 0.000 0.994 698 V HN 0.792 nan 8.190 nan 0.000 0.442 699 R N 2.436 123.019 120.500 0.139 0.000 2.686 699 R HA 0.797 5.152 4.340 0.026 0.000 0.286 699 R C -1.529 174.817 176.300 0.077 0.000 0.969 699 R CA -0.738 55.450 56.100 0.146 0.000 0.898 699 R CB 2.652 33.026 30.300 0.124 0.000 1.183 699 R HN 0.708 nan 8.270 nan 0.000 0.456 700 V N 3.784 123.766 119.914 0.112 0.000 2.328 700 V HA 0.332 4.467 4.120 0.026 0.000 0.278 700 V C -0.390 175.693 176.094 -0.017 0.000 1.021 700 V CA -0.655 61.663 62.300 0.030 0.000 0.838 700 V CB 1.486 33.333 31.823 0.040 0.000 0.999 700 V HN 0.437 nan 8.190 nan 0.000 0.447 701 V N 5.120 124.950 119.914 -0.139 0.000 2.483 701 V HA 0.391 4.526 4.120 0.026 0.000 0.295 701 V C -0.057 176.005 176.094 -0.054 0.000 1.035 701 V CA -0.775 61.439 62.300 -0.144 0.000 0.896 701 V CB 1.776 33.395 31.823 -0.340 0.000 0.986 701 V HN 0.881 nan 8.190 nan 0.000 0.447 702 Q N 5.438 125.249 119.800 0.018 0.000 2.377 702 Q HA 0.237 4.592 4.340 0.026 0.000 0.249 702 Q C -1.794 174.208 176.000 0.002 0.000 1.005 702 Q CA -1.654 54.169 55.803 0.035 0.000 0.912 702 Q CB 1.525 30.303 28.738 0.067 0.000 1.223 702 Q HN 0.499 nan 8.270 nan 0.000 0.459 703 P HA -0.154 nan 4.420 nan 0.000 0.216 703 P C -0.542 176.752 177.300 -0.009 0.000 1.153 703 P CA 1.045 64.145 63.100 0.001 0.000 0.844 703 P CB 0.383 32.090 31.700 0.012 0.000 0.787 704 N N -0.431 118.256 118.700 -0.021 0.000 2.518 704 N HA 0.407 5.163 4.740 0.026 0.000 0.283 704 N C -0.260 175.201 175.510 -0.082 0.000 1.119 704 N CA -0.512 52.514 53.050 -0.039 0.000 0.983 704 N CB 0.579 39.047 38.487 -0.033 0.000 1.139 704 N HN -0.020 nan 8.380 nan 0.000 0.465 705 A N 0.983 123.750 122.820 -0.087 0.000 2.407 705 A HA 0.448 4.783 4.320 0.026 0.000 0.248 705 A C 0.536 178.010 177.584 -0.183 0.000 1.082 705 A CA -0.158 51.798 52.037 -0.135 0.000 0.785 705 A CB -0.033 18.914 19.000 -0.089 0.000 1.020 705 A HN 0.699 nan 8.150 nan 0.000 0.489 706 T N -2.266 112.103 114.554 -0.309 0.000 2.883 706 T HA 0.629 4.995 4.350 0.026 0.000 0.284 706 T C 1.078 175.638 174.700 -0.233 0.000 1.041 706 T CA -0.038 61.855 62.100 -0.346 0.000 1.007 706 T CB 1.262 69.685 68.868 -0.742 0.000 1.220 706 T HN 1.309 nan 8.240 nan 0.000 0.552 707 A N 0.116 122.887 122.820 -0.081 0.000 2.024 707 A HA 0.027 4.362 4.320 0.026 0.000 0.220 707 A C 1.748 179.488 177.584 0.261 0.000 1.164 707 A CA 1.426 53.523 52.037 0.100 0.000 0.643 707 A CB -0.952 18.130 19.000 0.136 0.000 0.806 707 A HN 0.949 nan 8.150 nan 0.000 0.451 708 W N -0.993 120.373 121.300 0.111 0.000 2.871 708 W HA 0.398 5.074 4.660 0.027 0.000 0.340 708 W C -0.056 176.436 176.519 -0.044 0.000 1.058 708 W CA 0.562 57.943 57.345 0.060 0.000 1.633 708 W CB -0.845 28.642 29.460 0.044 0.000 1.067 708 W HN 0.455 nan 8.180 nan 0.000 0.554 709 S N 0.202 115.579 115.700 -0.538 0.000 2.556 709 S HA 0.422 4.907 4.470 0.026 0.000 0.271 709 S C -0.895 173.502 174.600 -0.338 0.000 1.135 709 S CA -0.690 57.180 58.200 -0.549 0.000 0.858 709 S CB 2.742 65.253 63.200 -1.148 0.000 1.114 709 S HN 0.118 nan 8.310 nan 0.000 0.468 710 E N 0.814 120.914 120.200 -0.167 0.000 2.374 710 E HA 0.522 4.887 4.350 0.026 0.000 0.260 710 E C 0.324 176.887 176.600 -0.061 0.000 1.101 710 E CA -0.601 55.753 56.400 -0.077 0.000 0.907 710 E CB 0.937 30.632 29.700 -0.009 0.000 1.014 710 E HN 0.872 nan 8.360 nan 0.000 0.427 711 A N 0.907 123.702 122.820 -0.042 0.000 2.546 711 A HA 0.364 4.700 4.320 0.026 0.000 0.243 711 A C 1.123 178.715 177.584 0.013 0.000 1.063 711 A CA 0.821 52.845 52.037 -0.022 0.000 0.757 711 A CB -0.496 18.494 19.000 -0.016 0.000 0.991 711 A HN 0.804 nan 8.150 nan 0.000 0.503 712 G N 0.991 109.805 108.800 0.023 0.000 2.176 712 G HA2 -0.232 3.744 3.960 0.026 0.000 0.232 712 G HA3 -0.232 3.744 3.960 0.026 0.000 0.232 712 G C 0.246 175.177 174.900 0.052 0.000 0.986 712 G CA 0.556 45.676 45.100 0.033 0.000 0.643 712 G HN 1.701 nan 8.290 nan 0.000 0.522 713 H N 0.746 119.805 119.070 -0.018 0.000 2.972 713 H HA 0.431 5.002 4.556 0.025 0.000 0.343 713 H C 0.689 176.055 175.328 0.064 0.000 1.054 713 H CA 0.604 56.664 56.048 0.020 0.000 1.412 713 H CB 0.191 29.943 29.762 -0.016 0.000 1.385 713 H HN 0.311 nan 8.280 nan 0.000 0.600 714 I N 4.573 124.814 120.570 -0.548 0.000 2.321 714 I HA 0.067 4.252 4.170 0.026 0.000 0.291 714 I C 0.906 176.823 176.117 -0.333 0.000 0.998 714 I CA -0.060 61.060 61.300 -0.300 0.000 1.227 714 I CB 1.693 39.619 38.000 -0.122 0.000 1.368 714 I HN 0.773 nan 8.210 nan 0.000 0.466 715 S N 4.091 119.835 115.700 0.073 0.000 2.497 715 S HA 0.480 4.965 4.470 0.026 0.000 0.221 715 S C 0.593 175.456 174.600 0.438 0.000 1.037 715 S CA -0.031 58.384 58.200 0.359 0.000 0.920 715 S CB 0.535 64.061 63.200 0.543 0.000 0.800 715 S HN 0.678 nan 8.310 nan 0.000 0.505 716 A N 0.517 123.609 122.820 0.454 0.000 2.587 716 A HA 0.726 5.061 4.320 0.026 0.000 0.293 716 A C -1.668 176.269 177.584 0.589 0.000 1.087 716 A CA -0.957 51.355 52.037 0.458 0.000 0.692 716 A CB 0.806 20.121 19.000 0.526 0.000 1.291 716 A HN 0.881 nan 8.150 nan 0.000 0.407 717 W N -0.134 121.336 121.300 0.282 0.000 3.005 717 W HA 0.792 5.468 4.660 0.027 0.000 0.343 717 W C -1.301 175.296 176.519 0.130 0.000 1.243 717 W CA -0.594 56.821 57.345 0.117 0.000 1.186 717 W CB 1.139 30.629 29.460 0.050 0.000 1.453 717 W HN 0.930 nan 8.180 nan 0.000 0.575 718 Q N 0.966 120.813 119.800 0.079 0.000 2.578 718 Q HA 0.427 4.783 4.340 0.026 0.000 0.284 718 Q C -1.583 174.295 176.000 -0.204 0.000 0.960 718 Q CA -0.509 55.197 55.803 -0.161 0.000 0.809 718 Q CB 2.424 30.929 28.738 -0.388 0.000 1.462 718 Q HN 0.619 nan 8.270 nan 0.000 0.392 719 Q N 0.934 120.518 119.800 -0.360 0.000 2.451 719 Q HA 0.640 4.995 4.340 0.026 0.000 0.281 719 Q C -1.188 174.596 176.000 -0.360 0.000 1.099 719 Q CA -0.708 55.042 55.803 -0.088 0.000 0.806 719 Q CB 2.342 31.233 28.738 0.255 0.000 1.419 719 Q HN 0.586 nan 8.270 nan 0.000 0.427 720 W N 0.830 122.256 121.300 0.211 0.000 3.127 720 W HA 0.422 5.097 4.660 0.025 0.000 0.330 720 W C -0.481 175.947 176.519 -0.151 0.000 1.187 720 W CA -0.651 56.724 57.345 0.050 0.000 1.198 720 W CB 1.682 31.153 29.460 0.018 0.000 1.408 720 W HN 0.419 nan 8.180 nan 0.000 0.529 721 R N 2.169 122.556 120.500 -0.188 0.000 2.267 721 R HA 0.320 4.675 4.340 0.026 0.000 0.319 721 R C 0.713 176.874 176.300 -0.232 0.000 1.067 721 R CA -0.075 55.686 56.100 -0.564 0.000 0.936 721 R CB 0.962 30.886 30.300 -0.626 0.000 1.006 721 R HN 0.317 nan 8.270 nan 0.000 0.452 722 L N 1.584 122.675 121.223 -0.221 0.000 2.618 722 L HA 0.410 4.765 4.340 0.026 0.000 0.156 722 L C 0.734 177.530 176.870 -0.124 0.000 1.675 722 L CA -0.495 54.278 54.840 -0.112 0.000 3.113 722 L CB -0.239 41.792 42.059 -0.045 0.000 3.006 722 L HN 0.572 nan 8.230 nan 0.000 0.867 723 A N 0.347 123.117 122.820 -0.083 0.000 2.354 723 A HA 0.294 4.629 4.320 0.026 0.000 0.269 723 A C -0.420 177.119 177.584 -0.075 0.000 1.109 723 A CA -0.034 51.963 52.037 -0.067 0.000 0.800 723 A CB 0.460 19.439 19.000 -0.036 0.000 1.045 723 A HN 0.539 nan 8.150 nan 0.000 0.489 724 E N 1.598 121.759 120.200 -0.065 0.000 2.210 724 E HA 0.300 4.665 4.350 0.026 0.000 0.266 724 E C -1.347 175.242 176.600 -0.019 0.000 0.883 724 E CA -0.705 55.666 56.400 -0.049 0.000 0.761 724 E CB 0.830 30.490 29.700 -0.067 0.000 1.156 724 E HN 0.724 nan 8.360 nan 0.000 0.412 725 N N 5.209 123.909 118.700 -0.000 0.000 2.479 725 N HA 0.266 5.021 4.740 0.026 0.000 0.261 725 N C -0.624 174.898 175.510 0.020 0.000 0.979 725 N CA -0.387 52.669 53.050 0.010 0.000 0.930 725 N CB 1.319 39.815 38.487 0.015 0.000 1.172 725 N HN 0.434 nan 8.380 nan 0.000 0.499 726 L N 0.911 122.145 121.223 0.019 0.000 2.410 726 L HA 0.116 4.472 4.340 0.026 0.000 0.273 726 L C 1.316 178.205 176.870 0.032 0.000 1.152 726 L CA -0.122 54.735 54.840 0.028 0.000 0.855 726 L CB 0.573 42.647 42.059 0.026 0.000 1.129 726 L HN 0.406 nan 8.230 nan 0.000 0.463 727 S N 1.997 117.721 115.700 0.042 0.000 2.506 727 S HA 0.101 4.587 4.470 0.026 0.000 0.291 727 S C 0.922 175.544 174.600 0.037 0.000 1.230 727 S CA -0.587 57.638 58.200 0.042 0.000 1.107 727 S CB 0.359 63.590 63.200 0.052 0.000 0.942 727 S HN 0.485 nan 8.310 nan 0.000 0.502 728 V N 2.701 122.633 119.914 0.030 0.000 3.523 728 V HA 0.237 4.372 4.120 0.026 0.000 0.255 728 V C 1.028 177.137 176.094 0.024 0.000 1.226 728 V CA 0.390 62.706 62.300 0.026 0.000 1.092 728 V CB -1.076 30.759 31.823 0.020 0.000 0.817 728 V HN 0.847 nan 8.190 nan 0.000 0.458 729 T N 1.205 115.775 114.554 0.026 0.000 2.919 729 T HA 0.555 4.921 4.350 0.026 0.000 0.302 729 T C -0.288 174.428 174.700 0.026 0.000 1.031 729 T CA -0.307 61.807 62.100 0.024 0.000 1.127 729 T CB 1.015 69.898 68.868 0.024 0.000 0.952 729 T HN 0.203 nan 8.240 nan 0.000 0.540 730 L N 3.895 125.131 121.223 0.021 0.000 2.395 730 L HA 0.420 4.775 4.340 0.026 0.000 0.269 730 L C -1.612 175.272 176.870 0.023 0.000 1.133 730 L CA -1.644 53.209 54.840 0.021 0.000 0.812 730 L CB -0.576 41.491 42.059 0.014 0.000 1.125 730 L HN 0.589 nan 8.230 nan 0.000 0.452 731 P HA 0.230 nan 4.420 nan 0.000 0.269 731 P C -0.719 176.590 177.300 0.015 0.000 1.209 731 P CA -0.474 62.642 63.100 0.028 0.000 0.776 731 P CB 0.542 32.263 31.700 0.036 0.000 0.876 732 A N 2.354 125.182 122.820 0.014 0.000 2.520 732 A HA 0.403 4.738 4.320 0.026 0.000 0.235 732 A C 0.593 178.153 177.584 -0.040 0.000 1.065 732 A CA 0.052 52.082 52.037 -0.011 0.000 0.764 732 A CB -0.448 18.550 19.000 -0.004 0.000 1.002 732 A HN 0.656 nan 8.150 nan 0.000 0.502 733 A N 2.948 125.726 122.820 -0.070 0.000 2.496 733 A HA 0.454 4.790 4.320 0.026 0.000 0.278 733 A C 1.036 178.517 177.584 -0.171 0.000 1.137 733 A CA 0.380 52.362 52.037 -0.092 0.000 0.805 733 A CB -1.077 17.872 19.000 -0.086 0.000 1.077 733 A HN 1.779 nan 8.150 nan 0.000 0.513 734 S N 2.435 118.074 115.700 -0.102 0.000 2.568 734 S HA 0.107 4.592 4.470 0.026 0.000 0.282 734 S C 0.654 175.181 174.600 -0.121 0.000 1.338 734 S CA 0.294 58.447 58.200 -0.079 0.000 1.045 734 S CB 0.178 63.393 63.200 0.025 0.000 0.873 734 S HN 0.710 nan 8.310 nan 0.000 0.516 735 H N 1.220 120.304 119.070 0.023 0.000 2.436 735 H HA 0.408 4.980 4.556 0.026 0.000 0.294 735 H C 1.037 176.379 175.328 0.023 0.000 1.048 735 H CA 1.261 57.321 56.048 0.020 0.000 1.353 735 H CB -0.115 29.658 29.762 0.019 0.000 1.414 735 H HN 0.835 nan 8.280 nan 0.000 0.536 736 A N 0.439 123.347 122.820 0.148 0.000 2.346 736 A HA 0.658 4.993 4.320 0.026 0.000 0.313 736 A C -1.003 176.626 177.584 0.075 0.000 1.140 736 A CA -0.706 51.391 52.037 0.099 0.000 0.826 736 A CB 1.151 20.210 19.000 0.098 0.000 1.332 736 A HN 0.254 nan 8.150 nan 0.000 0.457 737 I N 0.718 121.329 120.570 0.070 0.000 2.534 737 I HA 0.527 4.712 4.170 0.026 0.000 0.288 737 I C -2.730 173.435 176.117 0.080 0.000 1.077 737 I CA -2.398 58.938 61.300 0.059 0.000 1.051 737 I CB 2.424 40.449 38.000 0.042 0.000 1.234 737 I HN 0.393 nan 8.210 nan 0.000 0.425 738 P HA 0.122 nan 4.420 nan 0.000 0.269 738 P C -1.402 175.968 177.300 0.117 0.000 1.209 738 P CA 0.171 63.332 63.100 0.101 0.000 0.776 738 P CB 0.290 32.013 31.700 0.038 0.000 0.876 739 H N 2.685 121.790 119.070 0.059 0.000 2.459 739 H HA 0.376 4.947 4.556 0.026 0.000 0.332 739 H C -1.138 174.225 175.328 0.057 0.000 1.094 739 H CA -0.900 55.176 56.048 0.047 0.000 1.224 739 H CB 1.173 30.963 29.762 0.048 0.000 1.449 739 H HN 0.235 nan 8.280 nan 0.000 0.484 740 L N 4.883 125.793 121.223 -0.522 0.000 2.275 740 L HA 0.297 4.653 4.340 0.026 0.000 0.288 740 L C -0.659 176.002 176.870 -0.349 0.000 1.046 740 L CA -0.029 54.623 54.840 -0.314 0.000 0.805 740 L CB 1.395 43.311 42.059 -0.239 0.000 1.193 740 L HN 0.559 nan 8.230 nan 0.000 0.426 741 T N 3.355 117.889 114.554 -0.034 0.000 2.791 741 T HA 0.402 4.768 4.350 0.026 0.000 0.288 741 T C -0.333 174.458 174.700 0.152 0.000 0.999 741 T CA -0.358 61.786 62.100 0.075 0.000 0.952 741 T CB 0.827 69.787 68.868 0.153 0.000 0.938 741 T HN 0.644 nan 8.240 nan 0.000 0.444 742 T N 3.541 118.182 114.554 0.146 0.000 2.801 742 T HA 0.517 4.882 4.350 0.026 0.000 0.306 742 T C 0.506 175.274 174.700 0.114 0.000 1.020 742 T CA -0.702 61.533 62.100 0.224 0.000 0.948 742 T CB 0.529 69.544 68.868 0.246 0.000 0.962 742 T HN 0.680 nan 8.240 nan 0.000 0.465 743 S N 2.017 117.754 115.700 0.061 0.000 2.767 743 S HA 0.504 4.990 4.470 0.026 0.000 0.300 743 S C 1.210 175.783 174.600 -0.045 0.000 1.123 743 S CA -0.788 57.419 58.200 0.013 0.000 0.992 743 S CB 1.526 64.736 63.200 0.015 0.000 1.138 743 S HN 0.482 nan 8.310 nan 0.000 0.550 744 E N -0.030 120.148 120.200 -0.036 0.000 2.118 744 E HA -0.136 4.229 4.350 0.026 0.000 0.195 744 E C 1.600 178.143 176.600 -0.096 0.000 0.992 744 E CA 1.747 58.115 56.400 -0.054 0.000 0.804 744 E CB -0.257 29.426 29.700 -0.028 0.000 0.741 744 E HN 0.687 nan 8.360 nan 0.000 0.458 745 M N -0.251 119.299 119.600 -0.084 0.000 2.514 745 M HA 0.217 4.713 4.480 0.026 0.000 0.258 745 M C -0.941 175.282 176.300 -0.129 0.000 1.159 745 M CA 0.347 55.595 55.300 -0.087 0.000 1.116 745 M CB 0.933 33.513 32.600 -0.032 0.000 1.333 745 M HN -0.210 nan 8.290 nan 0.000 0.487 746 D N -0.347 119.970 120.400 -0.137 0.000 2.671 746 D HA 0.300 4.955 4.640 0.026 0.000 0.232 746 D C -1.449 174.774 176.300 -0.128 0.000 1.114 746 D CA -0.204 53.737 54.000 -0.098 0.000 0.858 746 D CB 1.481 42.306 40.800 0.043 0.000 1.544 746 D HN -0.075 nan 8.370 nan 0.000 0.471 747 F N 0.776 120.801 119.950 0.126 0.000 2.415 747 F HA 0.326 4.868 4.527 0.025 0.000 0.348 747 F C 0.414 176.331 175.800 0.195 0.000 1.119 747 F CA -0.894 57.175 58.000 0.115 0.000 1.069 747 F CB 1.103 40.139 39.000 0.060 0.000 1.124 747 F HN 0.089 nan 8.300 nan 0.000 0.472 748 C N 5.201 124.710 119.300 0.348 0.000 2.345 748 C HA 0.703 5.179 4.460 0.026 0.000 0.323 748 C C -0.162 174.994 174.990 0.276 0.000 1.276 748 C CA -0.785 58.417 59.018 0.308 0.000 1.543 748 C CB 0.213 28.089 27.740 0.226 0.000 2.211 748 C HN 0.552 nan 8.230 nan 0.000 0.493 749 I N 3.944 124.731 120.570 0.362 0.000 2.354 749 I HA 0.403 4.589 4.170 0.026 0.000 0.292 749 I C 0.124 176.520 176.117 0.465 0.000 0.989 749 I CA 0.325 61.825 61.300 0.332 0.000 1.188 749 I CB 0.972 39.114 38.000 0.236 0.000 1.342 749 I HN 0.564 nan 8.210 nan 0.000 0.457 750 E N 6.055 126.464 120.200 0.348 0.000 2.238 750 E HA 0.684 5.049 4.350 0.026 0.000 0.267 750 E C -1.445 175.329 176.600 0.291 0.000 0.887 750 E CA -1.003 55.582 56.400 0.308 0.000 0.769 750 E CB 3.083 32.905 29.700 0.203 0.000 1.187 750 E HN 0.279 nan 8.360 nan 0.000 0.416 751 L N 2.029 123.414 121.223 0.269 0.000 2.680 751 L HA 0.368 4.723 4.340 0.026 0.000 0.260 751 L C 0.256 177.200 176.870 0.123 0.000 0.975 751 L CA 0.597 55.563 54.840 0.211 0.000 0.920 751 L CB 1.086 43.318 42.059 0.287 0.000 1.234 751 L HN 0.802 nan 8.230 nan 0.000 0.429 752 G N 4.228 113.071 108.800 0.072 0.000 3.274 752 G HA2 -0.432 3.544 3.960 0.026 0.000 0.313 752 G HA3 -0.432 3.544 3.960 0.026 0.000 0.313 752 G C 0.629 175.529 174.900 -0.001 0.000 1.295 752 G CA 0.743 45.860 45.100 0.029 0.000 1.004 752 G HN 1.093 nan 8.290 nan 0.000 0.614 753 N N 1.160 119.849 118.700 -0.018 0.000 2.227 753 N HA 0.146 4.901 4.740 0.026 0.000 0.196 753 N C 0.492 175.953 175.510 -0.082 0.000 1.142 753 N CA 0.658 53.679 53.050 -0.048 0.000 0.887 753 N CB 0.232 38.689 38.487 -0.050 0.000 1.022 753 N HN 0.692 nan 8.380 nan 0.000 0.500 754 K N 0.804 121.139 120.400 -0.108 0.000 2.218 754 K HA 0.314 4.649 4.320 0.026 0.000 0.276 754 K C -0.336 176.085 176.600 -0.299 0.000 1.022 754 K CA -0.327 55.776 56.287 -0.307 0.000 0.946 754 K CB 1.555 33.816 32.500 -0.399 0.000 1.000 754 K HN 0.057 nan 8.250 nan 0.000 0.468 755 R N 2.892 123.117 120.500 -0.458 0.000 2.522 755 R HA 0.248 4.603 4.340 0.026 0.000 0.283 755 R C -1.597 174.581 176.300 -0.203 0.000 1.074 755 R CA -0.562 55.473 56.100 -0.109 0.000 0.925 755 R CB 1.194 31.550 30.300 0.094 0.000 1.205 755 R HN 0.638 nan 8.270 nan 0.000 0.436 756 W N 3.248 124.619 121.300 0.118 0.000 2.627 756 W HA 0.367 5.042 4.660 0.025 0.000 0.339 756 W C -0.353 176.214 176.519 0.080 0.000 1.058 756 W CA -0.733 56.615 57.345 0.006 0.000 1.223 756 W CB 2.065 31.518 29.460 -0.011 0.000 1.389 756 W HN 0.414 nan 8.180 nan 0.000 0.541 757 Q N 2.445 122.317 119.800 0.120 0.000 2.309 757 Q HA 0.330 4.685 4.340 0.026 0.000 0.270 757 Q C -1.859 174.090 176.000 -0.084 0.000 1.023 757 Q CA -0.514 55.372 55.803 0.137 0.000 0.758 757 Q CB 1.145 30.011 28.738 0.213 0.000 1.247 757 Q HN 0.371 nan 8.270 nan 0.000 0.455 758 F N 3.266 123.288 119.950 0.120 0.000 2.332 758 F HA 0.262 4.805 4.527 0.025 0.000 0.368 758 F C 0.700 176.521 175.800 0.035 0.000 1.110 758 F CA -0.755 57.288 58.000 0.071 0.000 1.087 758 F CB 0.896 39.958 39.000 0.104 0.000 1.235 758 F HN 0.464 nan 8.300 nan 0.000 0.470 759 N N 3.896 122.683 118.700 0.145 0.000 2.434 759 N HA 0.001 4.756 4.740 0.026 0.000 0.268 759 N C 1.123 176.654 175.510 0.034 0.000 1.256 759 N CA 0.280 53.376 53.050 0.075 0.000 0.914 759 N CB 0.610 39.153 38.487 0.092 0.000 1.088 759 N HN 0.670 nan 8.380 nan 0.000 0.478 760 R N 2.309 122.749 120.500 -0.101 0.000 2.189 760 R HA -0.095 4.261 4.340 0.026 0.000 0.218 760 R C 1.742 177.990 176.300 -0.086 0.000 1.074 760 R CA 0.757 56.743 56.100 -0.190 0.000 0.991 760 R CB 0.123 30.180 30.300 -0.406 0.000 0.883 760 R HN 0.692 nan 8.270 nan 0.000 0.457 761 Q N 0.536 120.314 119.800 -0.036 0.000 2.033 761 Q HA -0.105 4.250 4.340 0.026 0.000 0.196 761 Q C 1.960 177.981 176.000 0.034 0.000 0.970 761 Q CA 1.903 57.703 55.803 -0.006 0.000 0.828 761 Q CB 0.163 28.907 28.738 0.010 0.000 0.895 761 Q HN 0.331 nan 8.270 nan 0.000 0.440 762 S N -1.593 114.165 115.700 0.096 0.000 2.425 762 S HA 0.130 4.616 4.470 0.026 0.000 0.225 762 S C 1.423 176.128 174.600 0.174 0.000 1.024 762 S CA 0.830 59.154 58.200 0.206 0.000 0.951 762 S CB 0.275 63.669 63.200 0.323 0.000 0.796 762 S HN 0.662 nan 8.310 nan 0.000 0.498 763 G N 0.342 109.195 108.800 0.088 0.000 2.143 763 G HA2 -0.205 3.770 3.960 0.026 0.000 0.249 763 G HA3 -0.205 3.770 3.960 0.026 0.000 0.249 763 G C -0.173 174.702 174.900 -0.042 0.000 0.981 763 G CA 0.258 45.376 45.100 0.031 0.000 0.665 763 G HN 0.486 nan 8.290 nan 0.000 0.528 764 F N -1.155 118.952 119.950 0.262 0.000 2.556 764 F HA 0.686 5.228 4.527 0.025 0.000 0.327 764 F C 0.474 176.274 175.800 -0.001 0.000 1.059 764 F CA -1.485 56.616 58.000 0.167 0.000 0.953 764 F CB 1.435 40.487 39.000 0.086 0.000 1.227 764 F HN 0.002 nan 8.300 nan 0.000 0.478 765 L N 2.105 123.332 121.223 0.006 0.000 2.600 765 L HA 0.148 4.503 4.340 0.026 0.000 0.278 765 L C 1.058 177.813 176.870 -0.193 0.000 1.139 765 L CA 0.498 55.054 54.840 -0.474 0.000 0.933 765 L CB -0.116 41.586 42.059 -0.595 0.000 1.266 765 L HN 0.726 nan 8.230 nan 0.000 0.471 766 S N 2.462 118.061 115.700 -0.168 0.000 2.458 766 S HA 0.156 4.641 4.470 0.026 0.000 0.223 766 S C 0.659 175.135 174.600 -0.208 0.000 1.019 766 S CA -0.003 58.133 58.200 -0.106 0.000 0.937 766 S CB 0.051 63.235 63.200 -0.026 0.000 0.788 766 S HN 0.649 nan 8.310 nan 0.000 0.511 767 Q N -0.200 119.417 119.800 -0.305 0.000 2.435 767 Q HA 0.704 5.060 4.340 0.026 0.000 0.282 767 Q C -1.702 173.930 176.000 -0.614 0.000 1.020 767 Q CA -0.431 55.047 55.803 -0.541 0.000 0.820 767 Q CB 1.998 30.278 28.738 -0.763 0.000 1.436 767 Q HN 0.413 nan 8.270 nan 0.000 0.395 768 M N 1.917 121.042 119.600 -0.791 0.000 2.433 768 M HA 0.594 5.089 4.480 0.026 0.000 0.290 768 M C -1.899 173.976 176.300 -0.708 0.000 1.173 768 M CA -0.381 54.519 55.300 -0.666 0.000 0.905 768 M CB 1.639 33.868 32.600 -0.619 0.000 1.692 768 M HN 0.651 nan 8.290 nan 0.000 0.462 769 W N 5.266 126.342 121.300 -0.374 0.000 2.739 769 W HA 0.525 5.201 4.660 0.026 0.000 0.331 769 W C -1.415 174.912 176.519 -0.321 0.000 1.049 769 W CA -0.628 56.553 57.345 -0.274 0.000 1.234 769 W CB 1.584 30.923 29.460 -0.202 0.000 1.404 769 W HN 0.492 nan 8.180 nan 0.000 0.477 770 I N 3.628 124.177 120.570 -0.034 0.000 2.359 770 I HA 0.406 4.591 4.170 0.026 0.000 0.284 770 I C 0.933 177.036 176.117 -0.024 0.000 1.018 770 I CA 0.319 61.567 61.300 -0.086 0.000 1.173 770 I CB 0.883 38.801 38.000 -0.138 0.000 1.326 770 I HN 0.714 nan 8.210 nan 0.000 0.462 771 G N 6.114 114.894 108.800 -0.033 0.000 2.543 771 G HA2 -0.368 3.607 3.960 0.026 0.000 0.286 771 G HA3 -0.368 3.607 3.960 0.026 0.000 0.286 771 G C 0.305 175.199 174.900 -0.011 0.000 1.153 771 G CA 0.702 45.785 45.100 -0.029 0.000 0.968 771 G HN 0.809 nan 8.290 nan 0.000 0.544 772 D N 0.486 120.892 120.400 0.009 0.000 2.398 772 D HA 0.297 4.952 4.640 0.026 0.000 0.210 772 D C 0.786 177.205 176.300 0.198 0.000 1.094 772 D CA 0.621 54.630 54.000 0.015 0.000 0.839 772 D CB 0.338 41.118 40.800 -0.034 0.000 0.963 772 D HN 0.629 nan 8.370 nan 0.000 0.506 773 K N 1.541 122.060 120.400 0.198 0.000 2.248 773 K HA 0.184 4.520 4.320 0.026 0.000 0.281 773 K C -0.307 176.365 176.600 0.121 0.000 1.054 773 K CA -0.689 55.688 56.287 0.150 0.000 0.903 773 K CB 0.682 33.203 32.500 0.035 0.000 1.077 773 K HN -0.165 nan 8.250 nan 0.000 0.474 774 K N 2.978 123.384 120.400 0.010 0.000 2.448 774 K HA -0.044 4.291 4.320 0.026 0.000 0.278 774 K C 0.693 177.136 176.600 -0.262 0.000 1.009 774 K CA -0.034 56.036 56.287 -0.361 0.000 0.995 774 K CB 0.675 33.029 32.500 -0.243 0.000 0.917 774 K HN 0.556 nan 8.250 nan 0.000 0.481 775 Q N 1.387 120.977 119.800 -0.350 0.000 2.378 775 Q HA 0.195 4.550 4.340 0.026 0.000 0.216 775 Q C 0.053 175.973 176.000 -0.134 0.000 0.892 775 Q CA 0.539 56.258 55.803 -0.140 0.000 0.931 775 Q CB 0.450 29.149 28.738 -0.063 0.000 1.086 775 Q HN 0.488 nan 8.270 nan 0.000 0.528 776 L N 0.083 121.160 121.223 -0.244 0.000 2.370 776 L HA 0.398 4.753 4.340 0.026 0.000 0.266 776 L C 0.672 177.404 176.870 -0.229 0.000 1.002 776 L CA -0.353 54.355 54.840 -0.219 0.000 0.818 776 L CB 1.941 43.868 42.059 -0.219 0.000 1.325 776 L HN -0.132 nan 8.230 nan 0.000 0.418 777 L N -0.230 120.849 121.223 -0.239 0.000 2.609 777 L HA 0.272 4.627 4.340 0.026 0.000 0.230 777 L C 0.087 176.836 176.870 -0.202 0.000 1.064 777 L CA 0.521 55.235 54.840 -0.211 0.000 0.873 777 L CB 0.668 42.594 42.059 -0.222 0.000 1.139 777 L HN 0.568 nan 8.230 nan 0.000 0.490 778 T N 0.901 115.291 114.554 -0.273 0.000 2.812 778 T HA 0.407 4.773 4.350 0.026 0.000 0.282 778 T C -2.532 172.074 174.700 -0.157 0.000 0.990 778 T CA -1.317 60.667 62.100 -0.194 0.000 0.960 778 T CB 2.120 70.841 68.868 -0.244 0.000 0.948 778 T HN -0.259 nan 8.240 nan 0.000 0.438 779 P HA 0.060 nan 4.420 nan 0.000 0.267 779 P C -0.424 176.831 177.300 -0.075 0.000 1.201 779 P CA -0.653 62.397 63.100 -0.083 0.000 0.775 779 P CB 0.424 32.094 31.700 -0.051 0.000 0.854 780 L N 3.869 125.087 121.223 -0.008 0.000 2.385 780 L HA 0.212 4.567 4.340 0.026 0.000 0.281 780 L C 0.197 177.068 176.870 0.002 0.000 1.106 780 L CA 0.790 55.670 54.840 0.068 0.000 0.856 780 L CB -0.604 41.587 42.059 0.220 0.000 1.186 780 L HN 0.286 nan 8.230 nan 0.000 0.453 781 R N 2.753 123.161 120.500 -0.153 0.000 2.837 781 R HA 0.462 4.818 4.340 0.026 0.000 0.271 781 R C -0.989 175.198 176.300 -0.189 0.000 0.993 781 R CA -0.988 54.855 56.100 -0.428 0.000 0.931 781 R CB 1.279 31.158 30.300 -0.702 0.000 1.206 781 R HN 0.551 nan 8.270 nan 0.000 0.474 782 D N 1.038 121.361 120.400 -0.128 0.000 2.362 782 D HA 0.077 4.733 4.640 0.026 0.000 0.242 782 D C -0.546 175.287 176.300 -0.779 0.000 1.132 782 D CA 0.360 54.089 54.000 -0.450 0.000 0.907 782 D CB 0.727 41.128 40.800 -0.664 0.000 1.195 782 D HN 0.147 nan 8.370 nan 0.000 0.429 783 Q N 1.198 120.394 119.800 -1.005 0.000 2.274 783 Q HA 0.277 4.632 4.340 0.026 0.000 0.268 783 Q C -1.121 174.209 176.000 -1.117 0.000 1.015 783 Q CA -0.551 54.700 55.803 -0.920 0.000 0.775 783 Q CB 0.777 29.216 28.738 -0.498 0.000 1.256 783 Q HN 0.473 nan 8.270 nan 0.000 0.442 784 F N 0.295 119.807 119.950 -0.730 0.000 2.682 784 F HA 0.169 4.712 4.527 0.025 0.000 0.308 784 F C 0.769 176.105 175.800 -0.775 0.000 1.093 784 F CA -0.077 57.394 58.000 -0.883 0.000 1.244 784 F CB 1.111 39.225 39.000 -1.477 0.000 1.052 784 F HN 0.320 nan 8.300 nan 0.000 0.573 785 T N -0.661 113.555 114.554 -0.563 0.000 2.924 785 T HA 0.761 5.126 4.350 0.026 0.000 0.291 785 T C -0.415 174.004 174.700 -0.468 0.000 1.045 785 T CA -0.955 60.744 62.100 -0.669 0.000 1.015 785 T CB 2.787 71.173 68.868 -0.804 0.000 1.103 785 T HN 0.272 nan 8.240 nan 0.000 0.496 786 R N 0.319 120.578 120.500 -0.402 0.000 2.807 786 R HA 0.768 5.124 4.340 0.026 0.000 0.276 786 R C -0.581 175.762 176.300 0.070 0.000 0.979 786 R CA -1.188 54.824 56.100 -0.146 0.000 0.928 786 R CB 1.485 31.712 30.300 -0.121 0.000 1.191 786 R HN 0.796 nan 8.270 nan 0.000 0.471 787 A N 3.702 126.560 122.820 0.062 0.000 2.526 787 A HA 0.216 4.552 4.320 0.026 0.000 0.267 787 A C -1.926 175.727 177.584 0.116 0.000 1.095 787 A CA -1.116 50.966 52.037 0.075 0.000 0.775 787 A CB -0.579 18.410 19.000 -0.018 0.000 1.036 787 A HN 0.565 nan 8.150 nan 0.000 0.510 788 P HA 0.088 nan 4.420 nan 0.000 0.263 788 P C -0.281 177.126 177.300 0.178 0.000 1.195 788 P CA 0.460 63.723 63.100 0.272 0.000 0.762 788 P CB 0.297 32.170 31.700 0.290 0.000 0.799 789 L N 2.781 124.080 121.223 0.127 0.000 2.464 789 L HA 0.129 4.484 4.340 0.026 0.000 0.264 789 L C 1.922 178.809 176.870 0.029 0.000 1.199 789 L CA -0.388 54.465 54.840 0.022 0.000 0.818 789 L CB -0.124 41.880 42.059 -0.093 0.000 1.102 789 L HN 0.281 nan 8.230 nan 0.000 0.473 790 D N 0.615 120.981 120.400 -0.057 0.000 2.172 790 D HA -0.182 4.474 4.640 0.026 0.000 0.196 790 D C 1.617 177.829 176.300 -0.147 0.000 0.999 790 D CA 1.500 55.384 54.000 -0.194 0.000 0.856 790 D CB 0.002 40.599 40.800 -0.338 0.000 0.934 790 D HN 0.514 nan 8.370 nan 0.000 0.453 791 N N 0.964 119.597 118.700 -0.112 0.000 2.309 791 N HA -0.105 4.650 4.740 0.026 0.000 0.182 791 N C 1.182 176.699 175.510 0.011 0.000 1.018 791 N CA 0.707 53.718 53.050 -0.065 0.000 0.876 791 N CB -0.172 38.266 38.487 -0.081 0.000 0.972 791 N HN 0.297 nan 8.380 nan 0.000 0.434 792 D N 0.364 120.789 120.400 0.041 0.000 2.183 792 D HA 0.017 4.672 4.640 0.026 0.000 0.203 792 D C 1.996 178.336 176.300 0.067 0.000 0.969 792 D CA 0.470 54.529 54.000 0.097 0.000 0.842 792 D CB 0.140 41.069 40.800 0.215 0.000 0.957 792 D HN 0.319 nan 8.370 nan 0.000 0.484 793 I N 0.368 120.965 120.570 0.044 0.000 2.339 793 I HA 0.044 4.230 4.170 0.026 0.000 0.245 793 I C 1.895 178.026 176.117 0.024 0.000 1.096 793 I CA 0.792 62.107 61.300 0.025 0.000 1.408 793 I CB -0.375 37.623 38.000 -0.003 0.000 1.092 793 I HN 0.080 nan 8.210 nan 0.000 0.423 794 G N 1.155 109.973 108.800 0.030 0.000 2.561 794 G HA2 -0.350 3.626 3.960 0.026 0.000 0.289 794 G HA3 -0.350 3.626 3.960 0.026 0.000 0.289 794 G C 0.773 175.841 174.900 0.280 0.000 1.169 794 G CA 0.914 46.100 45.100 0.144 0.000 0.980 794 G HN 0.585 nan 8.290 nan 0.000 0.550 795 V N -1.557 118.485 119.914 0.213 0.000 3.649 795 V HA 0.561 4.696 4.120 0.026 0.000 0.275 795 V C 1.430 177.563 176.094 0.065 0.000 1.281 795 V CA 1.478 63.861 62.300 0.138 0.000 1.143 795 V CB 0.048 31.859 31.823 -0.020 0.000 0.892 795 V HN 1.433 nan 8.190 nan 0.000 0.441 796 S N 1.100 116.829 115.700 0.049 0.000 2.549 796 S HA 0.249 4.735 4.470 0.026 0.000 0.286 796 S C -0.030 174.585 174.600 0.026 0.000 1.314 796 S CA 0.097 58.308 58.200 0.019 0.000 1.062 796 S CB 0.059 63.263 63.200 0.007 0.000 0.865 796 S HN 0.811 nan 8.310 nan 0.000 0.498 797 E N 1.418 121.629 120.200 0.018 0.000 2.416 797 E HA 0.540 4.905 4.350 0.026 0.000 0.273 797 E C 0.546 177.160 176.600 0.024 0.000 0.935 797 E CA -0.629 55.788 56.400 0.027 0.000 0.784 797 E CB 1.351 31.067 29.700 0.027 0.000 1.301 797 E HN 0.567 nan 8.360 nan 0.000 0.454 798 A N 0.234 123.074 122.820 0.033 0.000 1.972 798 A HA -0.169 4.166 4.320 0.026 0.000 0.219 798 A C 1.928 179.525 177.584 0.023 0.000 1.169 798 A CA 2.409 54.464 52.037 0.030 0.000 0.635 798 A CB -0.818 18.205 19.000 0.039 0.000 0.810 798 A HN 0.662 nan 8.150 nan 0.000 0.446 799 T N -4.003 110.564 114.554 0.021 0.000 3.044 799 T HA 0.167 4.532 4.350 0.026 0.000 0.255 799 T C 1.045 175.747 174.700 0.003 0.000 1.073 799 T CA 0.577 62.685 62.100 0.013 0.000 1.125 799 T CB 0.009 68.886 68.868 0.015 0.000 0.908 799 T HN 0.301 nan 8.240 nan 0.000 0.480 800 R N 1.324 121.824 120.500 -0.001 0.000 2.547 800 R HA 0.364 4.719 4.340 0.026 0.000 0.280 800 R C -0.872 175.421 176.300 -0.012 0.000 1.630 800 R CA -0.655 55.437 56.100 -0.012 0.000 1.470 800 R CB 0.249 30.535 30.300 -0.025 0.000 1.178 800 R HN 0.209 nan 8.270 nan 0.000 0.591 801 I N 2.029 122.593 120.570 -0.009 0.000 2.752 801 I HA -0.042 4.143 4.170 0.026 0.000 0.287 801 I C 0.437 176.539 176.117 -0.024 0.000 1.188 801 I CA 0.513 61.807 61.300 -0.011 0.000 1.427 801 I CB 0.606 38.601 38.000 -0.008 0.000 1.365 801 I HN 0.498 nan 8.210 nan 0.000 0.585 802 D N 8.819 129.201 120.400 -0.028 0.000 2.472 802 D HA 0.281 4.936 4.640 0.026 0.000 0.234 802 D C -1.598 174.663 176.300 -0.066 0.000 1.088 802 D CA -2.172 51.802 54.000 -0.044 0.000 0.882 802 D CB 1.437 42.216 40.800 -0.035 0.000 1.037 802 D HN 0.202 nan 8.370 nan 0.000 0.520 803 P HA -0.121 nan 4.420 nan 0.000 0.223 803 P C 0.870 178.082 177.300 -0.147 0.000 1.144 803 P CA 0.585 63.630 63.100 -0.093 0.000 0.783 803 P CB 0.514 32.169 31.700 -0.075 0.000 0.771 804 N N 0.288 118.896 118.700 -0.152 0.000 2.376 804 N HA 0.022 4.778 4.740 0.026 0.000 0.177 804 N C 0.489 175.819 175.510 -0.300 0.000 1.024 804 N CA 0.155 53.074 53.050 -0.219 0.000 0.893 804 N CB -0.556 37.831 38.487 -0.165 0.000 0.980 804 N HN -0.049 nan 8.380 nan 0.000 0.439 805 A N -0.300 122.393 122.820 -0.212 0.000 2.540 805 A HA 0.020 4.356 4.320 0.026 0.000 0.239 805 A C 0.747 178.150 177.584 -0.303 0.000 1.061 805 A CA -0.275 51.642 52.037 -0.199 0.000 0.758 805 A CB -0.325 18.624 19.000 -0.086 0.000 0.991 805 A HN 0.542 nan 8.150 nan 0.000 0.502 806 W N 1.926 122.985 121.300 -0.402 0.000 2.304 806 W HA -0.219 4.456 4.660 0.025 0.000 0.315 806 W C 2.227 178.097 176.519 -1.081 0.000 1.233 806 W CA 1.860 58.710 57.345 -0.825 0.000 1.261 806 W CB -0.302 28.625 29.460 -0.890 0.000 1.150 806 W HN 0.591 nan 8.180 nan 0.000 0.494 807 V N 0.805 120.544 119.914 -0.293 0.000 2.343 807 V HA -0.266 3.869 4.120 0.026 0.000 0.247 807 V C 2.154 178.306 176.094 0.096 0.000 1.051 807 V CA 2.187 64.535 62.300 0.081 0.000 1.036 807 V CB -0.372 31.565 31.823 0.190 0.000 0.654 807 V HN 0.078 nan 8.190 nan 0.000 0.451 808 E N -0.028 120.150 120.200 -0.036 0.000 2.106 808 E HA -0.175 4.190 4.350 0.026 0.000 0.192 808 E C 2.338 178.906 176.600 -0.053 0.000 0.984 808 E CA 1.072 57.458 56.400 -0.024 0.000 0.806 808 E CB -0.353 29.313 29.700 -0.057 0.000 0.750 808 E HN 0.621 nan 8.360 nan 0.000 0.458 809 R N -0.147 120.241 120.500 -0.186 0.000 2.081 809 R HA -0.121 4.234 4.340 0.026 0.000 0.235 809 R C 2.301 178.537 176.300 -0.107 0.000 1.131 809 R CA 1.331 57.296 56.100 -0.225 0.000 0.960 809 R CB -0.184 29.856 30.300 -0.433 0.000 0.856 809 R HN 0.265 nan 8.270 nan 0.000 0.436 810 W N 1.373 122.647 121.300 -0.043 0.000 2.379 810 W HA -0.053 4.623 4.660 0.026 0.000 0.307 810 W C 1.992 178.515 176.519 0.007 0.000 1.200 810 W CA 0.551 57.781 57.345 -0.191 0.000 1.297 810 W CB -0.768 28.695 29.460 0.004 0.000 1.140 810 W HN 0.097 nan 8.180 nan 0.000 0.507 811 K N 0.260 120.894 120.400 0.390 0.000 2.044 811 K HA -0.145 4.191 4.320 0.026 0.000 0.210 811 K C 2.239 178.913 176.600 0.124 0.000 1.049 811 K CA 2.064 58.520 56.287 0.282 0.000 0.927 811 K CB -0.590 32.020 32.500 0.183 0.000 0.713 811 K HN -0.001 nan 8.250 nan 0.000 0.443 812 A N 0.822 123.686 122.820 0.073 0.000 2.015 812 A HA -0.029 4.307 4.320 0.026 0.000 0.219 812 A C 2.126 179.734 177.584 0.040 0.000 1.163 812 A CA 1.622 53.686 52.037 0.045 0.000 0.646 812 A CB -0.388 18.621 19.000 0.015 0.000 0.806 812 A HN 0.347 nan 8.150 nan 0.000 0.448 813 A N -1.886 120.948 122.820 0.023 0.000 2.218 813 A HA 0.416 4.751 4.320 0.026 0.000 0.209 813 A C 1.759 179.335 177.584 -0.014 0.000 1.168 813 A CA 1.179 53.247 52.037 0.053 0.000 0.804 813 A CB -0.720 18.307 19.000 0.046 0.000 0.834 813 A HN 1.817 nan 8.150 nan 0.000 0.482 814 G N -1.486 107.192 108.800 -0.204 0.000 2.132 814 G HA2 -0.291 3.684 3.960 0.026 0.000 0.234 814 G HA3 -0.291 3.684 3.960 0.026 0.000 0.234 814 G C 0.624 175.528 174.900 0.005 0.000 0.989 814 G CA 0.642 45.373 45.100 -0.614 0.000 0.676 814 G HN 0.705 nan 8.290 nan 0.000 0.522 815 H N -1.272 117.818 119.070 0.034 0.000 2.290 815 H HA -0.143 4.428 4.556 0.026 0.000 0.298 815 H C 2.229 177.563 175.328 0.009 0.000 1.087 815 H CA 1.888 57.975 56.048 0.066 0.000 1.291 815 H CB 0.055 29.802 29.762 -0.026 0.000 1.369 815 H HN 0.577 nan 8.280 nan 0.000 0.492 816 Y N 0.858 121.290 120.300 0.219 0.000 2.509 816 Y HA -0.113 4.452 4.550 0.025 0.000 0.293 816 Y C 1.717 177.695 175.900 0.130 0.000 1.133 816 Y CA 0.806 58.986 58.100 0.133 0.000 1.283 816 Y CB 0.227 38.755 38.460 0.113 0.000 1.001 816 Y HN 0.397 nan 8.280 nan 0.000 0.555 817 Q N -0.528 119.437 119.800 0.275 0.000 2.129 817 Q HA 0.526 4.882 4.340 0.026 0.000 0.274 817 Q C -0.320 175.862 176.000 0.303 0.000 0.854 817 Q CA -0.382 55.574 55.803 0.254 0.000 1.123 817 Q CB 0.524 29.399 28.738 0.230 0.000 1.226 817 Q HN 0.136 nan 8.270 nan 0.000 0.454 818 A N 1.229 124.258 122.820 0.348 0.000 2.366 818 A HA 0.370 4.706 4.320 0.026 0.000 0.272 818 A C -0.484 177.389 177.584 0.481 0.000 1.135 818 A CA -0.313 52.003 52.037 0.465 0.000 0.804 818 A CB 0.472 19.830 19.000 0.596 0.000 1.064 818 A HN 0.439 nan 8.150 nan 0.000 0.499 819 E N 1.240 121.626 120.200 0.310 0.000 2.191 819 E HA 0.493 4.858 4.350 0.026 0.000 0.278 819 E C -0.129 176.400 176.600 -0.118 0.000 0.972 819 E CA -0.536 55.950 56.400 0.143 0.000 0.804 819 E CB 1.734 31.500 29.700 0.111 0.000 1.110 819 E HN 0.768 nan 8.360 nan 0.000 0.394 820 A N 2.371 124.985 122.820 -0.344 0.000 2.409 820 A HA 0.530 4.865 4.320 0.026 0.000 0.267 820 A C -0.246 177.192 177.584 -0.244 0.000 1.127 820 A CA -0.283 51.310 52.037 -0.739 0.000 0.795 820 A CB 0.387 18.931 19.000 -0.760 0.000 1.061 820 A HN 0.595 nan 8.150 nan 0.000 0.502 821 A N 2.783 125.474 122.820 -0.216 0.000 2.288 821 A HA 0.582 4.917 4.320 0.026 0.000 0.320 821 A C -0.404 177.094 177.584 -0.144 0.000 1.217 821 A CA -0.548 51.428 52.037 -0.101 0.000 0.840 821 A CB 0.464 19.428 19.000 -0.060 0.000 1.179 821 A HN 1.247 nan 8.150 nan 0.000 0.504 822 L N 3.491 124.606 121.223 -0.180 0.000 2.361 822 L HA 0.323 4.678 4.340 0.026 0.000 0.278 822 L C 0.459 177.189 176.870 -0.232 0.000 1.113 822 L CA 0.260 54.875 54.840 -0.375 0.000 0.849 822 L CB 0.276 42.145 42.059 -0.318 0.000 1.155 822 L HN 0.780 nan 8.230 nan 0.000 0.452 823 L N 3.280 124.360 121.223 -0.238 0.000 2.357 823 L HA 0.289 4.645 4.340 0.026 0.000 0.211 823 L C 0.562 177.373 176.870 -0.099 0.000 1.075 823 L CA 0.174 54.943 54.840 -0.117 0.000 0.830 823 L CB -0.005 42.016 42.059 -0.062 0.000 0.996 823 L HN 0.693 nan 8.230 nan 0.000 0.467 824 Q N -0.392 119.328 119.800 -0.134 0.000 2.327 824 Q HA 0.287 4.643 4.340 0.026 0.000 0.265 824 Q C -2.051 173.909 176.000 -0.065 0.000 0.993 824 Q CA -0.408 55.353 55.803 -0.070 0.000 0.885 824 Q CB 2.976 31.695 28.738 -0.032 0.000 1.379 824 Q HN 0.093 nan 8.270 nan 0.000 0.408 825 C N 3.611 122.913 119.300 0.003 0.000 2.919 825 C HA 0.687 5.163 4.460 0.026 0.000 0.337 825 C C -0.602 174.514 174.990 0.210 0.000 1.039 825 C CA 0.174 59.247 59.018 0.092 0.000 1.373 825 C CB 0.225 28.013 27.740 0.081 0.000 1.843 825 C HN 0.795 nan 8.230 nan 0.000 0.493 826 T N 2.263 116.874 114.554 0.096 0.000 2.908 826 T HA 0.880 5.245 4.350 0.026 0.000 0.290 826 T C -0.395 174.101 174.700 -0.341 0.000 1.034 826 T CA -0.337 61.751 62.100 -0.020 0.000 1.010 826 T CB 1.945 70.786 68.868 -0.046 0.000 1.068 826 T HN 1.413 nan 8.240 nan 0.000 0.481 827 A N 2.050 124.495 122.820 -0.625 0.000 2.343 827 A HA 0.727 5.063 4.320 0.026 0.000 0.316 827 A C -0.987 176.347 177.584 -0.416 0.000 1.104 827 A CA -0.759 50.808 52.037 -0.784 0.000 0.768 827 A CB 1.076 19.171 19.000 -1.509 0.000 1.213 827 A HN 0.892 nan 8.150 nan 0.000 0.456 828 D N 1.287 121.501 120.400 -0.310 0.000 2.738 828 D HA 0.447 5.102 4.640 0.026 0.000 0.237 828 D C -0.921 175.273 176.300 -0.176 0.000 1.123 828 D CA -0.018 53.863 54.000 -0.199 0.000 0.856 828 D CB 2.347 43.062 40.800 -0.143 0.000 1.552 828 D HN 0.418 nan 8.370 nan 0.000 0.480 829 T N 2.049 116.521 114.554 -0.137 0.000 2.767 829 T HA 0.444 4.809 4.350 0.026 0.000 0.288 829 T C 0.719 175.372 174.700 -0.079 0.000 0.963 829 T CA -0.468 61.566 62.100 -0.110 0.000 1.019 829 T CB 0.834 69.643 68.868 -0.099 0.000 0.923 829 T HN 0.103 nan 8.240 nan 0.000 0.468 830 L N 1.550 122.731 121.223 -0.070 0.000 2.544 830 L HA 0.599 4.954 4.340 0.026 0.000 0.256 830 L C 2.063 178.911 176.870 -0.036 0.000 1.097 830 L CA -1.170 53.640 54.840 -0.050 0.000 0.812 830 L CB 0.093 42.122 42.059 -0.049 0.000 1.440 830 L HN 0.675 nan 8.230 nan 0.000 0.496 831 A N 0.192 122.995 122.820 -0.027 0.000 2.019 831 A HA -0.160 4.175 4.320 0.026 0.000 0.219 831 A C 1.260 178.835 177.584 -0.014 0.000 1.164 831 A CA 2.006 54.032 52.037 -0.018 0.000 0.644 831 A CB -0.507 18.484 19.000 -0.015 0.000 0.805 831 A HN 0.940 nan 8.150 nan 0.000 0.449 832 D N -3.253 117.136 120.400 -0.018 0.000 2.516 832 D HA 0.470 5.125 4.640 0.026 0.000 0.241 832 D C 0.201 176.491 176.300 -0.017 0.000 1.246 832 D CA 0.765 54.758 54.000 -0.012 0.000 0.808 832 D CB -0.159 40.634 40.800 -0.011 0.000 1.147 832 D HN 0.422 nan 8.370 nan 0.000 0.527 833 A N -0.054 122.746 122.820 -0.034 0.000 2.583 833 A HA 0.661 4.997 4.320 0.026 0.000 0.289 833 A C -1.506 176.030 177.584 -0.079 0.000 1.151 833 A CA -0.637 51.368 52.037 -0.053 0.000 0.695 833 A CB 1.813 20.780 19.000 -0.055 0.000 1.290 833 A HN -0.015 nan 8.150 nan 0.000 0.419 834 V N 0.463 120.310 119.914 -0.111 0.000 2.513 834 V HA 0.641 4.776 4.120 0.026 0.000 0.299 834 V C -1.003 174.989 176.094 -0.171 0.000 1.035 834 V CA -0.483 61.727 62.300 -0.149 0.000 0.889 834 V CB 1.392 33.118 31.823 -0.162 0.000 0.988 834 V HN 0.778 nan 8.190 nan 0.000 0.440 835 L N 5.999 127.108 121.223 -0.190 0.000 2.349 835 L HA 0.636 4.991 4.340 0.026 0.000 0.278 835 L C -0.835 175.884 176.870 -0.252 0.000 0.996 835 L CA -0.080 54.654 54.840 -0.177 0.000 0.825 835 L CB 1.399 43.383 42.059 -0.125 0.000 1.243 835 L HN 0.418 nan 8.230 nan 0.000 0.412 836 I N 3.922 124.338 120.570 -0.258 0.000 2.354 836 I HA 0.415 4.600 4.170 0.026 0.000 0.292 836 I C -0.087 175.986 176.117 -0.074 0.000 0.989 836 I CA -0.295 60.813 61.300 -0.320 0.000 1.188 836 I CB 1.513 39.069 38.000 -0.738 0.000 1.342 836 I HN 0.523 nan 8.210 nan 0.000 0.457 837 T N 4.793 119.307 114.554 -0.066 0.000 2.786 837 T HA 0.529 4.894 4.350 0.026 0.000 0.283 837 T C 0.281 175.016 174.700 0.058 0.000 0.992 837 T CA -0.514 61.590 62.100 0.008 0.000 0.954 837 T CB 1.404 70.257 68.868 -0.024 0.000 0.934 837 T HN 0.768 nan 8.240 nan 0.000 0.440 838 T N -0.030 114.599 114.554 0.125 0.000 2.908 838 T HA 0.861 5.226 4.350 0.026 0.000 0.290 838 T C -0.802 173.960 174.700 0.103 0.000 1.034 838 T CA -1.079 61.097 62.100 0.127 0.000 1.010 838 T CB 1.940 70.976 68.868 0.280 0.000 1.068 838 T HN 0.674 nan 8.240 nan 0.000 0.481 839 A N 1.954 124.769 122.820 -0.008 0.000 2.402 839 A HA 0.701 5.036 4.320 0.026 0.000 0.291 839 A C -1.341 176.159 177.584 -0.140 0.000 1.051 839 A CA -0.769 51.284 52.037 0.027 0.000 0.716 839 A CB 0.714 19.724 19.000 0.017 0.000 1.223 839 A HN 0.992 nan 8.150 nan 0.000 0.425 840 H N 0.535 119.665 119.070 0.100 0.000 2.600 840 H HA 0.723 5.295 4.556 0.026 0.000 0.357 840 H C 0.037 175.456 175.328 0.153 0.000 1.106 840 H CA 0.327 56.392 56.048 0.029 0.000 1.193 840 H CB 2.101 31.842 29.762 -0.035 0.000 1.594 840 H HN 0.933 nan 8.280 nan 0.000 0.526 841 A N 2.824 125.719 122.820 0.125 0.000 2.318 841 A HA 0.341 4.677 4.320 0.026 0.000 0.324 841 A C -1.129 176.541 177.584 0.143 0.000 1.170 841 A CA -0.705 51.457 52.037 0.207 0.000 0.810 841 A CB 0.883 19.950 19.000 0.112 0.000 1.198 841 A HN 0.649 nan 8.150 nan 0.000 0.484 842 W N 2.404 123.863 121.300 0.266 0.000 2.308 842 W HA 0.350 5.025 4.660 0.026 0.000 0.311 842 W C -0.363 176.241 176.519 0.142 0.000 1.088 842 W CA -0.077 57.434 57.345 0.276 0.000 1.309 842 W CB 1.262 31.006 29.460 0.474 0.000 1.229 842 W HN 0.725 nan 8.180 nan 0.000 0.427 843 Q N 1.892 121.845 119.800 0.255 0.000 2.342 843 Q HA 0.296 4.651 4.340 0.026 0.000 0.267 843 Q C -0.622 175.522 176.000 0.240 0.000 1.038 843 Q CA -0.570 55.342 55.803 0.181 0.000 0.832 843 Q CB 3.196 31.994 28.738 0.100 0.000 1.323 843 Q HN 0.339 nan 8.270 nan 0.000 0.448 844 H N 2.865 121.997 119.070 0.103 0.000 2.823 844 H HA 0.110 4.681 4.556 0.026 0.000 0.332 844 H C -0.840 174.534 175.328 0.077 0.000 0.980 844 H CA -0.145 55.968 56.048 0.109 0.000 1.286 844 H CB 0.943 30.788 29.762 0.138 0.000 1.541 844 H HN 0.819 nan 8.280 nan 0.000 0.521 845 Q N 3.333 122.944 119.800 -0.316 0.000 2.453 845 Q HA -0.233 4.123 4.340 0.026 0.000 0.294 845 Q C 0.933 176.894 176.000 -0.065 0.000 1.295 845 Q CA 0.959 56.631 55.803 -0.218 0.000 0.853 845 Q CB -1.443 27.131 28.738 -0.274 0.000 1.193 845 Q HN 1.190 nan 8.270 nan 0.000 0.461 846 G N -0.420 108.365 108.800 -0.025 0.000 2.179 846 G HA2 -0.384 3.591 3.960 0.026 0.000 0.260 846 G HA3 -0.384 3.591 3.960 0.026 0.000 0.260 846 G C 0.073 174.985 174.900 0.021 0.000 0.977 846 G CA 0.609 45.711 45.100 0.002 0.000 0.641 846 G HN 0.348 nan 8.290 nan 0.000 0.533 847 K N 1.654 122.076 120.400 0.036 0.000 2.227 847 K HA 0.610 4.946 4.320 0.026 0.000 0.280 847 K C 0.083 176.712 176.600 0.048 0.000 1.041 847 K CA -0.088 56.226 56.287 0.045 0.000 0.905 847 K CB 0.738 33.277 32.500 0.064 0.000 1.068 847 K HN -0.003 nan 8.250 nan 0.000 0.470 848 T N 6.484 121.053 114.554 0.026 0.000 2.723 848 T HA 0.217 4.582 4.350 0.026 0.000 0.297 848 T C 1.058 175.715 174.700 -0.071 0.000 0.925 848 T CA -0.398 61.714 62.100 0.020 0.000 1.030 848 T CB 0.285 69.176 68.868 0.038 0.000 0.905 848 T HN 0.545 nan 8.240 nan 0.000 0.502 849 L N 2.286 123.399 121.223 -0.183 0.000 2.145 849 L HA 0.350 4.705 4.340 0.026 0.000 0.201 849 L C -0.151 176.187 176.870 -0.887 0.000 1.075 849 L CA 0.771 55.218 54.840 -0.655 0.000 0.773 849 L CB 0.026 41.470 42.059 -1.025 0.000 0.936 849 L HN 0.467 nan 8.230 nan 0.000 0.451 850 F N -0.696 119.249 119.950 -0.007 0.000 2.588 850 F HA 0.574 5.116 4.527 0.025 0.000 0.310 850 F C -0.465 175.441 175.800 0.176 0.000 1.082 850 F CA -0.939 56.993 58.000 -0.113 0.000 0.929 850 F CB 1.671 40.257 39.000 -0.690 0.000 1.254 850 F HN -0.289 nan 8.300 nan 0.000 0.455 851 I N 1.608 122.387 120.570 0.348 0.000 2.439 851 I HA 0.308 4.493 4.170 0.026 0.000 0.285 851 I C -0.627 175.729 176.117 0.399 0.000 1.021 851 I CA -0.513 61.009 61.300 0.370 0.000 1.091 851 I CB 2.012 40.148 38.000 0.227 0.000 1.242 851 I HN 0.541 nan 8.210 nan 0.000 0.439 852 S N 7.102 123.132 115.700 0.551 0.000 2.448 852 S HA 0.492 4.977 4.470 0.026 0.000 0.320 852 S C -0.353 174.469 174.600 0.369 0.000 1.071 852 S CA -0.636 57.865 58.200 0.503 0.000 1.113 852 S CB 0.311 63.933 63.200 0.703 0.000 0.972 852 S HN 0.510 nan 8.310 nan 0.000 0.465 853 R N 3.785 124.432 120.500 0.244 0.000 2.294 853 R HA 0.495 4.851 4.340 0.026 0.000 0.319 853 R C -0.546 175.812 176.300 0.097 0.000 0.984 853 R CA -0.563 55.635 56.100 0.163 0.000 0.861 853 R CB 1.402 31.776 30.300 0.124 0.000 1.104 853 R HN 0.548 nan 8.270 nan 0.000 0.451 854 K N 1.028 121.468 120.400 0.068 0.000 2.435 854 K HA 0.377 4.712 4.320 0.026 0.000 0.251 854 K C -0.737 175.807 176.600 -0.094 0.000 0.954 854 K CA -0.809 55.437 56.287 -0.069 0.000 0.820 854 K CB 2.574 34.995 32.500 -0.131 0.000 1.292 854 K HN 0.596 nan 8.250 nan 0.000 0.436 855 T N -1.104 113.331 114.554 -0.198 0.000 2.861 855 T HA 0.520 4.886 4.350 0.026 0.000 0.287 855 T C -1.088 173.448 174.700 -0.273 0.000 1.003 855 T CA -0.707 61.306 62.100 -0.145 0.000 0.977 855 T CB 0.429 69.254 68.868 -0.071 0.000 0.996 855 T HN 0.356 nan 8.240 nan 0.000 0.448 856 Y N 1.299 121.549 120.300 -0.085 0.000 2.335 856 Y HA 0.641 5.206 4.550 0.026 0.000 0.338 856 Y C 0.672 176.484 175.900 -0.147 0.000 0.977 856 Y CA -1.095 56.958 58.100 -0.078 0.000 1.114 856 Y CB 1.840 40.246 38.460 -0.090 0.000 1.182 856 Y HN 0.598 nan 8.280 nan 0.000 0.463 857 R N 4.594 125.105 120.500 0.018 0.000 2.422 857 R HA 0.573 4.929 4.340 0.026 0.000 0.307 857 R C -1.835 174.403 176.300 -0.103 0.000 1.004 857 R CA -0.437 55.629 56.100 -0.056 0.000 0.882 857 R CB 0.593 30.871 30.300 -0.036 0.000 1.164 857 R HN 0.795 nan 8.270 nan 0.000 0.489 858 I N 4.837 125.288 120.570 -0.198 0.000 2.339 858 I HA 0.220 4.405 4.170 0.026 0.000 0.290 858 I C -0.077 175.932 176.117 -0.179 0.000 0.994 858 I CA -0.615 60.498 61.300 -0.311 0.000 1.191 858 I CB 1.485 39.084 38.000 -0.669 0.000 1.343 858 I HN 0.650 nan 8.210 nan 0.000 0.458 859 D N 4.108 124.447 120.400 -0.103 0.000 2.627 859 D HA 0.300 4.956 4.640 0.026 0.000 0.259 859 D C 1.212 177.517 176.300 0.009 0.000 1.164 859 D CA -0.648 53.331 54.000 -0.036 0.000 1.087 859 D CB 0.428 41.222 40.800 -0.010 0.000 1.217 859 D HN 0.425 nan 8.370 nan 0.000 0.630 860 G N -1.398 107.420 108.800 0.031 0.000 2.598 860 G HA2 -0.094 3.881 3.960 0.026 0.000 0.215 860 G HA3 -0.094 3.881 3.960 0.026 0.000 0.215 860 G C 1.110 176.065 174.900 0.091 0.000 1.131 860 G CA 0.835 45.973 45.100 0.063 0.000 0.785 860 G HN 0.515 nan 8.290 nan 0.000 0.539 861 S N -0.718 115.032 115.700 0.082 0.000 2.593 861 S HA 0.362 4.847 4.470 0.026 0.000 0.217 861 S C 1.821 176.493 174.600 0.120 0.000 0.966 861 S CA 0.860 59.120 58.200 0.099 0.000 0.914 861 S CB -0.047 63.203 63.200 0.084 0.000 0.776 861 S HN 1.363 nan 8.310 nan 0.000 0.523 862 G N 0.606 109.493 108.800 0.145 0.000 2.148 862 G HA2 -0.256 3.719 3.960 0.026 0.000 0.254 862 G HA3 -0.256 3.719 3.960 0.026 0.000 0.254 862 G C -0.201 174.854 174.900 0.258 0.000 0.981 862 G CA 0.184 45.432 45.100 0.246 0.000 0.670 862 G HN 0.618 nan 8.290 nan 0.000 0.528 863 Q N -0.600 119.286 119.800 0.144 0.000 2.235 863 Q HA 0.651 5.006 4.340 0.026 0.000 0.250 863 Q C 0.213 176.245 176.000 0.053 0.000 0.909 863 Q CA -0.340 55.545 55.803 0.137 0.000 0.910 863 Q CB 1.552 30.358 28.738 0.114 0.000 1.223 863 Q HN 0.434 nan 8.270 nan 0.000 0.432 864 M N 2.054 121.719 119.600 0.107 0.000 2.072 864 M HA 0.506 5.001 4.480 0.026 0.000 0.331 864 M C -1.407 174.984 176.300 0.151 0.000 1.004 864 M CA -0.498 54.824 55.300 0.037 0.000 0.952 864 M CB 0.975 33.584 32.600 0.014 0.000 1.511 864 M HN 0.694 nan 8.290 nan 0.000 0.422 865 A N 6.882 129.756 122.820 0.089 0.000 2.252 865 A HA 0.652 4.988 4.320 0.026 0.000 0.309 865 A C -0.763 176.857 177.584 0.059 0.000 1.285 865 A CA -0.580 51.513 52.037 0.093 0.000 0.900 865 A CB -0.008 19.027 19.000 0.058 0.000 1.157 865 A HN 0.918 nan 8.150 nan 0.000 0.536 866 I N 2.116 122.718 120.570 0.053 0.000 2.359 866 I HA 0.351 4.536 4.170 0.026 0.000 0.294 866 I C -0.037 175.976 176.117 -0.173 0.000 0.987 866 I CA -0.068 61.167 61.300 -0.109 0.000 1.225 866 I CB 2.162 40.139 38.000 -0.039 0.000 1.366 866 I HN 0.496 nan 8.210 nan 0.000 0.466 867 T N 5.642 120.042 114.554 -0.256 0.000 2.833 867 T HA 0.444 4.809 4.350 0.026 0.000 0.297 867 T C -0.328 174.189 174.700 -0.305 0.000 1.015 867 T CA -0.464 61.495 62.100 -0.235 0.000 0.963 867 T CB 1.167 69.989 68.868 -0.078 0.000 0.955 867 T HN 0.181 nan 8.240 nan 0.000 0.449 868 V N 3.368 122.984 119.914 -0.495 0.000 2.398 868 V HA 0.513 4.648 4.120 0.026 0.000 0.286 868 V C -0.458 175.500 176.094 -0.228 0.000 1.026 868 V CA -0.846 61.194 62.300 -0.433 0.000 0.868 868 V CB 1.704 33.051 31.823 -0.793 0.000 0.982 868 V HN 0.805 nan 8.190 nan 0.000 0.443 869 D N 2.967 123.380 120.400 0.022 0.000 2.505 869 D HA 0.565 5.220 4.640 0.026 0.000 0.250 869 D C -0.865 175.566 176.300 0.218 0.000 1.164 869 D CA -0.101 54.002 54.000 0.171 0.000 0.870 869 D CB 2.111 43.025 40.800 0.190 0.000 1.160 869 D HN 0.327 nan 8.370 nan 0.000 0.549 870 V N 2.684 122.768 119.914 0.284 0.000 2.459 870 V HA 0.334 4.469 4.120 0.026 0.000 0.295 870 V C 0.098 176.340 176.094 0.246 0.000 1.029 870 V CA -0.756 61.719 62.300 0.291 0.000 0.874 870 V CB 1.794 33.822 31.823 0.342 0.000 0.985 870 V HN 0.424 nan 8.190 nan 0.000 0.438 871 E N 2.866 123.190 120.200 0.206 0.000 2.216 871 E HA 0.600 4.965 4.350 0.026 0.000 0.279 871 E C -1.330 175.376 176.600 0.177 0.000 0.997 871 E CA -0.513 55.988 56.400 0.168 0.000 0.817 871 E CB 2.328 32.110 29.700 0.135 0.000 1.096 871 E HN 0.427 nan 8.360 nan 0.000 0.393 872 V N 2.267 122.288 119.914 0.178 0.000 2.483 872 V HA 0.356 4.492 4.120 0.026 0.000 0.297 872 V C -0.015 176.149 176.094 0.117 0.000 1.027 872 V CA -0.947 61.468 62.300 0.193 0.000 0.855 872 V CB 1.537 33.529 31.823 0.281 0.000 0.995 872 V HN 0.826 nan 8.190 nan 0.000 0.424 873 A N 3.442 126.277 122.820 0.024 0.000 2.546 873 A HA 0.322 4.657 4.320 0.026 0.000 0.243 873 A C 1.557 179.188 177.584 0.077 0.000 1.063 873 A CA 0.562 52.612 52.037 0.022 0.000 0.757 873 A CB 0.279 19.254 19.000 -0.041 0.000 0.991 873 A HN 1.334 nan 8.150 nan 0.000 0.503 874 S N 1.217 116.966 115.700 0.082 0.000 2.447 874 S HA -0.144 4.341 4.470 0.026 0.000 0.233 874 S C 0.893 175.545 174.600 0.088 0.000 1.006 874 S CA 1.259 59.527 58.200 0.113 0.000 0.957 874 S CB -0.218 63.034 63.200 0.087 0.000 0.773 874 S HN 0.825 nan 8.310 nan 0.000 0.507 875 D N 0.159 120.588 120.400 0.048 0.000 2.369 875 D HA 0.093 4.749 4.640 0.026 0.000 0.211 875 D C 0.521 176.828 176.300 0.011 0.000 1.077 875 D CA 0.044 54.056 54.000 0.019 0.000 0.842 875 D CB -0.374 40.434 40.800 0.013 0.000 0.947 875 D HN 0.304 nan 8.370 nan 0.000 0.509 876 T N 2.155 116.730 114.554 0.036 0.000 2.909 876 T HA 0.321 4.687 4.350 0.026 0.000 0.289 876 T C -2.478 172.278 174.700 0.092 0.000 1.005 876 T CA -1.689 60.455 62.100 0.073 0.000 1.084 876 T CB 1.202 70.118 68.868 0.081 0.000 0.975 876 T HN -0.117 nan 8.240 nan 0.000 0.509 877 P HA 0.022 nan 4.420 nan 0.000 0.266 877 P C -0.433 177.103 177.300 0.393 0.000 1.193 877 P CA -0.048 63.116 63.100 0.107 0.000 0.770 877 P CB 0.230 31.997 31.700 0.111 0.000 0.836 878 H N 2.496 121.910 119.070 0.574 0.000 2.964 878 H HA 0.115 4.686 4.556 0.025 0.000 0.328 878 H C -1.733 173.925 175.328 0.550 0.000 1.030 878 H CA -1.526 54.817 56.048 0.492 0.000 1.445 878 H CB -0.745 29.263 29.762 0.409 0.000 1.449 878 H HN 0.352 nan 8.280 nan 0.000 0.581 879 P HA 0.105 nan 4.420 nan 0.000 0.277 879 P C 0.324 177.521 177.300 -0.171 0.000 1.240 879 P CA -0.366 62.807 63.100 0.121 0.000 0.798 879 P CB 0.978 32.638 31.700 -0.066 0.000 0.979 880 A N 3.269 125.732 122.820 -0.594 0.000 1.972 880 A HA -0.102 4.233 4.320 0.026 0.000 0.219 880 A C 1.119 178.326 177.584 -0.628 0.000 1.169 880 A CA 1.355 53.010 52.037 -0.638 0.000 0.635 880 A CB -0.527 17.878 19.000 -0.991 0.000 0.810 880 A HN 0.757 nan 8.150 nan 0.000 0.446 881 R N -2.641 117.519 120.500 -0.566 0.000 2.716 881 R HA 0.713 5.068 4.340 0.026 0.000 0.271 881 R C -1.891 174.202 176.300 -0.344 0.000 1.028 881 R CA -0.809 54.981 56.100 -0.516 0.000 0.883 881 R CB 0.763 30.700 30.300 -0.606 0.000 1.250 881 R HN 0.004 nan 8.270 nan 0.000 0.465 882 I N 1.534 121.944 120.570 -0.266 0.000 2.563 882 I HA 0.591 4.776 4.170 0.026 0.000 0.276 882 I C -0.297 175.645 176.117 -0.292 0.000 1.074 882 I CA -0.236 60.972 61.300 -0.152 0.000 1.124 882 I CB 1.815 39.777 38.000 -0.063 0.000 1.225 882 I HN 0.961 nan 8.210 nan 0.000 0.482 883 G N 5.369 113.960 108.800 -0.349 0.000 2.731 883 G HA2 0.799 4.775 3.960 0.026 0.000 0.309 883 G HA3 0.799 4.775 3.960 0.026 0.000 0.309 883 G C -1.547 173.223 174.900 -0.216 0.000 1.273 883 G CA -0.615 44.287 45.100 -0.329 0.000 0.798 883 G HN 0.220 nan 8.290 nan 0.000 0.509 884 L N 0.939 122.071 121.223 -0.150 0.000 2.354 884 L HA 0.639 4.994 4.340 0.026 0.000 0.264 884 L C -0.745 176.034 176.870 -0.151 0.000 1.008 884 L CA -1.131 53.642 54.840 -0.112 0.000 0.819 884 L CB 2.420 44.494 42.059 0.025 0.000 1.339 884 L HN 0.776 nan 8.230 nan 0.000 0.420 885 N N 0.783 119.417 118.700 -0.110 0.000 2.494 885 N HA 0.743 5.498 4.740 0.026 0.000 0.270 885 N C -1.185 174.339 175.510 0.025 0.000 1.285 885 N CA -0.543 52.479 53.050 -0.048 0.000 0.812 885 N CB 2.373 40.846 38.487 -0.023 0.000 1.557 885 N HN 0.889 nan 8.380 nan 0.000 0.487 886 C N -1.472 117.863 119.300 0.059 0.000 3.275 886 C HA 0.553 5.029 4.460 0.026 0.000 0.340 886 C C -1.363 173.404 174.990 -0.371 0.000 1.366 886 C CA -0.849 58.129 59.018 -0.067 0.000 1.227 886 C CB 0.980 28.696 27.740 -0.039 0.000 1.512 886 C HN 0.859 nan 8.230 nan 0.000 0.461 887 Q N 1.445 120.791 119.800 -0.755 0.000 2.425 887 Q HA 0.607 4.962 4.340 0.026 0.000 0.254 887 Q C -0.907 174.770 176.000 -0.538 0.000 1.032 887 Q CA -0.403 54.725 55.803 -1.124 0.000 0.798 887 Q CB 0.722 28.382 28.738 -1.796 0.000 1.210 887 Q HN 0.752 nan 8.270 nan 0.000 0.491 888 L N 2.099 123.121 121.223 -0.336 0.000 2.461 888 L HA 0.128 4.483 4.340 0.026 0.000 0.272 888 L C 1.281 178.067 176.870 -0.139 0.000 1.197 888 L CA 0.014 54.768 54.840 -0.143 0.000 0.836 888 L CB 0.553 42.615 42.059 0.005 0.000 1.105 888 L HN 0.761 nan 8.230 nan 0.000 0.477 889 A N 1.806 124.574 122.820 -0.085 0.000 2.067 889 A HA -0.070 4.265 4.320 0.026 0.000 0.217 889 A C 1.096 178.664 177.584 -0.028 0.000 1.156 889 A CA 0.378 52.369 52.037 -0.076 0.000 0.683 889 A CB -0.222 18.730 19.000 -0.079 0.000 0.808 889 A HN 0.761 nan 8.150 nan 0.000 0.455 890 Q N 0.112 119.928 119.800 0.027 0.000 2.337 890 Q HA 0.391 4.747 4.340 0.026 0.000 0.270 890 Q C -1.097 174.928 176.000 0.042 0.000 1.002 890 Q CA 0.461 56.276 55.803 0.020 0.000 0.888 890 Q CB 0.801 29.564 28.738 0.042 0.000 1.222 890 Q HN 0.123 nan 8.270 nan 0.000 0.400 891 V N 4.023 123.933 119.914 -0.008 0.000 2.349 891 V HA 0.743 4.879 4.120 0.026 0.000 0.284 891 V C -0.440 175.627 176.094 -0.045 0.000 1.014 891 V CA -0.344 61.980 62.300 0.039 0.000 0.826 891 V CB 0.841 32.676 31.823 0.020 0.000 1.009 891 V HN 0.903 nan 8.190 nan 0.000 0.431 892 A N 3.352 126.100 122.820 -0.120 0.000 2.288 892 A HA 0.754 5.089 4.320 0.026 0.000 0.328 892 A C 0.721 178.326 177.584 0.035 0.000 1.123 892 A CA -0.450 51.472 52.037 -0.191 0.000 0.861 892 A CB 1.158 19.814 19.000 -0.572 0.000 1.272 892 A HN 0.780 nan 8.150 nan 0.000 0.490 893 E N -0.041 120.172 120.200 0.021 0.000 2.060 893 E HA -0.010 4.355 4.350 0.026 0.000 0.189 893 E C 0.123 176.798 176.600 0.124 0.000 0.974 893 E CA 0.633 57.073 56.400 0.067 0.000 0.808 893 E CB 0.084 29.803 29.700 0.032 0.000 0.768 893 E HN 0.421 nan 8.360 nan 0.000 0.453 894 R N 0.762 121.340 120.500 0.131 0.000 2.668 894 R HA 0.462 4.817 4.340 0.026 0.000 0.279 894 R C -0.732 175.741 176.300 0.290 0.000 0.976 894 R CA -0.739 55.465 56.100 0.173 0.000 0.978 894 R CB 1.758 32.127 30.300 0.117 0.000 1.133 894 R HN -0.101 nan 8.270 nan 0.000 0.484 895 V N 2.858 122.957 119.914 0.308 0.000 2.409 895 V HA 0.303 4.438 4.120 0.026 0.000 0.291 895 V C -0.091 176.259 176.094 0.427 0.000 1.020 895 V CA -0.874 61.655 62.300 0.382 0.000 0.848 895 V CB 1.642 33.660 31.823 0.326 0.000 0.990 895 V HN 0.625 nan 8.190 nan 0.000 0.430 896 N N 5.125 124.048 118.700 0.370 0.000 2.399 896 N HA 0.456 5.212 4.740 0.026 0.000 0.280 896 N C -1.348 174.372 175.510 0.350 0.000 1.008 896 N CA -0.458 52.758 53.050 0.277 0.000 0.894 896 N CB 2.231 40.797 38.487 0.131 0.000 1.273 896 N HN 0.783 nan 8.380 nan 0.000 0.486 897 W N 3.658 124.992 121.300 0.056 0.000 3.127 897 W HA 0.561 5.237 4.660 0.025 0.000 0.330 897 W C -1.995 174.481 176.519 -0.071 0.000 1.187 897 W CA -1.155 56.194 57.345 0.006 0.000 1.198 897 W CB 0.673 30.160 29.460 0.045 0.000 1.408 897 W HN 0.223 nan 8.180 nan 0.000 0.529 898 L N 5.041 126.224 121.223 -0.065 0.000 2.287 898 L HA 0.872 5.228 4.340 0.026 0.000 0.280 898 L C 0.046 176.691 176.870 -0.375 0.000 1.055 898 L CA 0.443 55.060 54.840 -0.372 0.000 0.863 898 L CB 0.254 42.176 42.059 -0.228 0.000 1.245 898 L HN 0.935 nan 8.230 nan 0.000 0.432 899 G N 3.508 111.993 108.800 -0.525 0.000 2.435 899 G HA2 0.237 4.213 3.960 0.026 0.000 0.296 899 G HA3 0.237 4.213 3.960 0.026 0.000 0.296 899 G C -1.569 173.331 174.900 0.000 0.000 1.240 899 G CA -1.005 43.943 45.100 -0.253 0.000 0.872 899 G HN 0.337 nan 8.290 nan 0.000 0.480 900 L N 1.156 122.529 121.223 0.250 0.000 2.367 900 L HA 0.618 4.973 4.340 0.026 0.000 0.275 900 L C 1.026 178.044 176.870 0.246 0.000 1.129 900 L CA 0.796 55.769 54.840 0.222 0.000 0.839 900 L CB 0.783 42.912 42.059 0.117 0.000 1.133 900 L HN 1.110 nan 8.230 nan 0.000 0.453 901 G N 2.785 111.552 108.800 -0.055 0.000 2.428 901 G HA2 0.253 4.229 3.960 0.026 0.000 0.305 901 G HA3 0.253 4.229 3.960 0.026 0.000 0.305 901 G C -2.734 171.445 174.900 -1.202 0.000 1.260 901 G CA -0.283 44.440 45.100 -0.629 0.000 0.853 901 G HN 0.304 nan 8.290 nan 0.000 0.480 902 P HA 0.085 nan 4.420 nan 0.000 0.235 902 P C 0.404 177.502 177.300 -0.338 0.000 1.177 902 P CA 0.641 63.074 63.100 -1.111 0.000 0.785 902 P CB 0.469 31.624 31.700 -0.908 0.000 0.885 903 Q N 0.376 119.971 119.800 -0.342 0.000 2.256 903 Q HA 0.184 4.539 4.340 0.026 0.000 0.232 903 Q C 0.291 176.158 176.000 -0.220 0.000 0.965 903 Q CA -0.755 54.916 55.803 -0.220 0.000 0.908 903 Q CB 0.879 29.509 28.738 -0.180 0.000 1.209 903 Q HN 0.106 nan 8.270 nan 0.000 0.489 904 E N 1.510 121.580 120.200 -0.216 0.000 2.608 904 E HA -0.146 4.220 4.350 0.026 0.000 0.259 904 E C -1.144 175.342 176.600 -0.191 0.000 0.951 904 E CA 0.426 56.680 56.400 -0.244 0.000 0.945 904 E CB 0.182 29.798 29.700 -0.139 0.000 0.916 904 E HN 0.605 nan 8.360 nan 0.000 0.477 905 N N 2.825 121.327 118.700 -0.331 0.000 2.308 905 N HA 0.343 5.098 4.740 0.026 0.000 0.283 905 N C -1.835 173.407 175.510 -0.447 0.000 1.105 905 N CA -0.704 52.208 53.050 -0.229 0.000 0.840 905 N CB 0.795 39.184 38.487 -0.162 0.000 1.633 905 N HN 0.221 nan 8.380 nan 0.000 0.476 906 Y N 0.076 120.279 120.300 -0.162 0.000 2.602 906 Y HA 0.487 5.053 4.550 0.026 0.000 0.342 906 Y C -1.672 174.149 175.900 -0.131 0.000 1.029 906 Y CA -2.040 55.950 58.100 -0.185 0.000 1.080 906 Y CB 2.071 40.411 38.460 -0.199 0.000 1.284 906 Y HN 0.445 nan 8.280 nan 0.000 0.485 907 P HA -0.208 nan 4.420 nan 0.000 0.216 907 P C 0.513 177.708 177.300 -0.175 0.000 1.154 907 P CA 2.241 65.394 63.100 0.088 0.000 0.865 907 P CB 0.195 32.047 31.700 0.253 0.000 0.789 908 D N -2.277 117.789 120.400 -0.557 0.000 2.328 908 D HA -0.018 4.638 4.640 0.026 0.000 0.221 908 D C 0.718 176.829 176.300 -0.316 0.000 1.072 908 D CA 0.159 53.568 54.000 -0.985 0.000 0.850 908 D CB -0.245 39.775 40.800 -1.300 0.000 0.922 908 D HN 0.137 nan 8.370 nan 0.000 0.516 909 R N 1.013 121.446 120.500 -0.112 0.000 2.734 909 R HA 0.174 4.530 4.340 0.026 0.000 0.242 909 R C -0.673 175.651 176.300 0.040 0.000 1.617 909 R CA -0.177 55.927 56.100 0.008 0.000 1.572 909 R CB -0.005 30.306 30.300 0.018 0.000 1.477 909 R HN 0.107 nan 8.270 nan 0.000 0.707 910 L N -1.512 119.744 121.223 0.054 0.000 3.333 910 L HA 0.380 4.735 4.340 0.026 0.000 0.299 910 L C 1.216 178.141 176.870 0.091 0.000 1.256 910 L CA -0.005 54.868 54.840 0.054 0.000 1.037 910 L CB 0.441 42.526 42.059 0.043 0.000 1.423 910 L HN 0.088 nan 8.230 nan 0.000 0.605 911 T N -3.143 111.489 114.554 0.129 0.000 2.904 911 T HA 0.108 4.474 4.350 0.026 0.000 0.267 911 T C 1.831 176.567 174.700 0.061 0.000 1.059 911 T CA 1.078 63.280 62.100 0.170 0.000 1.137 911 T CB -0.242 68.782 68.868 0.260 0.000 0.879 911 T HN 0.349 nan 8.240 nan 0.000 0.467 912 A N 1.995 124.857 122.820 0.070 0.000 1.968 912 A HA 0.596 4.931 4.320 0.026 0.000 0.217 912 A C 1.726 179.403 177.584 0.156 0.000 1.169 912 A CA 0.675 52.719 52.037 0.012 0.000 0.638 912 A CB -1.135 18.009 19.000 0.239 0.000 0.812 912 A HN 0.834 nan 8.150 nan 0.000 0.446 913 A N -1.249 121.610 122.820 0.064 0.000 2.425 913 A HA 0.413 4.748 4.320 0.026 0.000 0.242 913 A C 0.057 177.693 177.584 0.086 0.000 1.077 913 A CA 0.177 52.223 52.037 0.014 0.000 0.781 913 A CB -0.205 18.783 19.000 -0.021 0.000 1.020 913 A HN 0.564 nan 8.150 nan 0.000 0.494 914 C N 0.222 119.582 119.300 0.100 0.000 2.634 914 C HA 0.510 4.985 4.460 0.026 0.000 0.313 914 C C -0.172 174.944 174.990 0.209 0.000 1.198 914 C CA -0.528 58.601 59.018 0.184 0.000 1.605 914 C CB 0.858 28.735 27.740 0.227 0.000 2.196 914 C HN 0.791 nan 8.230 nan 0.000 0.486 915 F N 3.801 123.607 119.950 -0.241 0.000 2.471 915 F HA 0.437 4.980 4.527 0.025 0.000 0.365 915 F C 0.418 175.869 175.800 -0.582 0.000 1.095 915 F CA 1.361 59.025 58.000 -0.559 0.000 1.174 915 F CB -0.082 37.996 39.000 -1.536 0.000 1.105 915 F HN 0.601 nan 8.300 nan 0.000 0.535 916 D N 3.431 123.293 120.400 -0.896 0.000 2.725 916 D HA 0.141 4.797 4.640 0.026 0.000 0.292 916 D C -1.557 173.865 176.300 -1.463 0.000 1.288 916 D CA -0.791 52.543 54.000 -1.109 0.000 0.784 916 D CB 1.493 41.562 40.800 -1.219 0.000 1.308 916 D HN 0.424 nan 8.370 nan 0.000 0.429 917 R N 0.897 120.684 120.500 -1.190 0.000 2.296 917 R HA 0.393 4.749 4.340 0.026 0.000 0.323 917 R C -1.272 174.293 176.300 -1.226 0.000 1.067 917 R CA 0.124 55.640 56.100 -0.973 0.000 0.946 917 R CB 0.023 29.984 30.300 -0.565 0.000 0.991 917 R HN 0.256 nan 8.270 nan 0.000 0.448 918 W N 3.054 123.820 121.300 -0.891 0.000 2.666 918 W HA 0.382 5.057 4.660 0.026 0.000 0.334 918 W C -0.424 175.700 176.519 -0.657 0.000 1.051 918 W CA -0.759 56.011 57.345 -0.959 0.000 1.224 918 W CB 1.653 30.106 29.460 -1.678 0.000 1.405 918 W HN 0.382 nan 8.180 nan 0.000 0.513 919 D N 3.222 123.570 120.400 -0.087 0.000 2.620 919 D HA 0.501 5.156 4.640 0.026 0.000 0.252 919 D C -1.462 174.918 176.300 0.133 0.000 1.207 919 D CA -0.194 53.836 54.000 0.049 0.000 0.884 919 D CB 1.250 42.056 40.800 0.009 0.000 1.262 919 D HN 0.382 nan 8.370 nan 0.000 0.552 920 L N 3.762 125.131 121.223 0.244 0.000 2.393 920 L HA 0.505 4.860 4.340 0.026 0.000 0.260 920 L C -2.301 174.679 176.870 0.183 0.000 1.002 920 L CA -2.069 52.899 54.840 0.214 0.000 0.818 920 L CB 2.896 45.125 42.059 0.283 0.000 1.369 920 L HN 0.196 nan 8.230 nan 0.000 0.412 921 P HA -0.006 nan 4.420 nan 0.000 0.268 921 P C 0.656 178.026 177.300 0.116 0.000 1.205 921 P CA -0.312 62.854 63.100 0.109 0.000 0.771 921 P CB 1.137 32.881 31.700 0.073 0.000 0.858 922 L N 4.009 125.307 121.223 0.125 0.000 2.089 922 L HA -0.284 4.072 4.340 0.026 0.000 0.213 922 L C 2.361 179.271 176.870 0.066 0.000 1.079 922 L CA 2.855 57.757 54.840 0.104 0.000 0.758 922 L CB -1.335 40.797 42.059 0.122 0.000 0.891 922 L HN 0.486 nan 8.230 nan 0.000 0.433 923 S N -2.202 113.539 115.700 0.069 0.000 2.447 923 S HA -0.146 4.340 4.470 0.026 0.000 0.233 923 S C 1.646 176.311 174.600 0.109 0.000 1.006 923 S CA 0.979 59.235 58.200 0.093 0.000 0.957 923 S CB -0.643 62.603 63.200 0.077 0.000 0.773 923 S HN 0.511 nan 8.310 nan 0.000 0.507 924 D N 1.386 121.824 120.400 0.064 0.000 2.269 924 D HA 0.077 4.732 4.640 0.026 0.000 0.208 924 D C 1.497 177.790 176.300 -0.013 0.000 0.963 924 D CA 0.712 54.725 54.000 0.022 0.000 0.864 924 D CB -0.202 40.619 40.800 0.034 0.000 0.936 924 D HN 0.349 nan 8.370 nan 0.000 0.505 925 M N -0.435 119.168 119.600 0.004 0.000 2.659 925 M HA -0.012 4.483 4.480 0.026 0.000 0.243 925 M C 0.209 176.493 176.300 -0.028 0.000 1.111 925 M CA 0.204 55.459 55.300 -0.076 0.000 1.070 925 M CB -1.036 31.516 32.600 -0.079 0.000 1.525 925 M HN -0.012 nan 8.290 nan 0.000 0.517 926 Y N 0.121 120.368 120.300 -0.088 0.000 2.377 926 Y HA 0.447 5.013 4.550 0.026 0.000 0.339 926 Y C -0.631 175.211 175.900 -0.097 0.000 1.011 926 Y CA -0.941 57.127 58.100 -0.052 0.000 1.093 926 Y CB 1.195 39.684 38.460 0.047 0.000 1.201 926 Y HN -0.126 nan 8.280 nan 0.000 0.455 927 T N 8.897 122.956 114.554 -0.824 0.000 2.770 927 T HA 0.273 4.639 4.350 0.026 0.000 0.297 927 T C -2.679 171.273 174.700 -1.247 0.000 0.997 927 T CA -1.520 60.035 62.100 -0.908 0.000 0.949 927 T CB 1.021 69.457 68.868 -0.720 0.000 0.941 927 T HN 0.466 nan 8.240 nan 0.000 0.457 928 P HA 0.135 nan 4.420 nan 0.000 0.226 928 P C -0.754 176.424 177.300 -0.202 0.000 1.783 928 P CA -0.535 62.191 63.100 -0.624 0.000 0.980 928 P CB -0.618 30.834 31.700 -0.414 0.000 1.967 929 Y N -0.011 120.273 120.300 -0.027 0.000 2.632 929 Y HA -0.090 4.475 4.550 0.026 0.000 0.329 929 Y C 2.240 178.246 175.900 0.177 0.000 1.174 929 Y CA 0.049 58.240 58.100 0.152 0.000 1.469 929 Y CB 0.086 38.576 38.460 0.050 0.000 1.242 929 Y HN -0.060 nan 8.280 nan 0.000 0.540 930 V N 3.606 123.797 119.914 0.461 0.000 2.282 930 V HA -0.318 3.817 4.120 0.026 0.000 0.249 930 V C 0.802 177.106 176.094 0.350 0.000 1.057 930 V CA 1.470 64.005 62.300 0.391 0.000 1.032 930 V CB -0.637 31.449 31.823 0.438 0.000 0.645 930 V HN 0.610 nan 8.190 nan 0.000 0.447 931 F N 3.157 123.180 119.950 0.123 0.000 2.404 931 F HA 0.432 4.974 4.527 0.026 0.000 0.359 931 F C -2.317 173.505 175.800 0.036 0.000 1.134 931 F CA -3.503 54.500 58.000 0.005 0.000 1.160 931 F CB 0.509 39.399 39.000 -0.182 0.000 1.186 931 F HN 0.026 nan 8.300 nan 0.000 0.526 932 P HA 0.206 nan 4.420 nan 0.000 0.268 932 P C -1.037 176.017 177.300 -0.409 0.000 1.204 932 P CA 0.137 63.062 63.100 -0.292 0.000 0.768 932 P CB 1.098 32.621 31.700 -0.294 0.000 0.842 933 S N 0.429 116.046 115.700 -0.139 0.000 2.727 933 S HA 0.479 4.965 4.470 0.026 0.000 0.278 933 S C -0.742 173.858 174.600 0.000 0.000 1.186 933 S CA -0.963 57.181 58.200 -0.094 0.000 0.836 933 S CB 0.492 63.657 63.200 -0.058 0.000 1.186 933 S HN 0.308 nan 8.310 nan 0.000 0.499 934 E N 1.255 121.463 120.200 0.014 0.000 2.529 934 E HA 0.328 4.693 4.350 0.026 0.000 0.259 934 E C -0.222 176.447 176.600 0.114 0.000 0.966 934 E CA 0.805 57.242 56.400 0.062 0.000 0.937 934 E CB -0.401 29.352 29.700 0.089 0.000 0.923 934 E HN 0.774 nan 8.360 nan 0.000 0.468 935 N N 1.587 120.380 118.700 0.156 0.000 2.927 935 N HA 0.502 5.257 4.740 0.026 0.000 0.248 935 N C 0.143 175.688 175.510 0.058 0.000 1.443 935 N CA -0.578 52.596 53.050 0.206 0.000 0.870 935 N CB 0.934 39.534 38.487 0.188 0.000 1.444 935 N HN 0.687 nan 8.380 nan 0.000 0.519 936 G N -1.167 107.618 108.800 -0.025 0.000 2.155 936 G HA2 -0.268 3.707 3.960 0.026 0.000 0.257 936 G HA3 -0.268 3.707 3.960 0.026 0.000 0.257 936 G C -0.294 174.320 174.900 -0.477 0.000 0.983 936 G CA 0.482 45.446 45.100 -0.227 0.000 0.676 936 G HN 0.684 nan 8.290 nan 0.000 0.528 937 L N -0.154 120.702 121.223 -0.613 0.000 2.461 937 L HA 0.703 5.059 4.340 0.026 0.000 0.272 937 L C 0.649 176.918 176.870 -1.001 0.000 1.197 937 L CA 0.214 54.491 54.840 -0.938 0.000 0.836 937 L CB 0.612 41.898 42.059 -1.287 0.000 1.105 937 L HN 0.230 nan 8.230 nan 0.000 0.477 938 R N 2.554 122.393 120.500 -1.101 0.000 2.532 938 R HA 0.496 4.852 4.340 0.026 0.000 0.297 938 R C -1.030 174.926 176.300 -0.572 0.000 0.984 938 R CA -0.285 55.279 56.100 -0.894 0.000 0.884 938 R CB 1.390 30.933 30.300 -1.262 0.000 1.182 938 R HN 0.688 nan 8.270 nan 0.000 0.442 939 C N 0.407 119.511 119.300 -0.327 0.000 2.328 939 C HA 0.687 5.163 4.460 0.026 0.000 0.378 939 C C 1.424 176.387 174.990 -0.044 0.000 1.249 939 C CA -0.016 58.902 59.018 -0.167 0.000 2.204 939 C CB 1.207 28.880 27.740 -0.113 0.000 2.218 939 C HN 1.033 nan 8.230 nan 0.000 0.564 940 G N 1.698 110.493 108.800 -0.009 0.000 2.361 940 G HA2 -0.199 3.777 3.960 0.026 0.000 0.294 940 G HA3 -0.199 3.777 3.960 0.026 0.000 0.294 940 G C 0.002 174.951 174.900 0.081 0.000 1.004 940 G CA 0.666 45.812 45.100 0.076 0.000 0.870 940 G HN 0.817 nan 8.290 nan 0.000 0.510 941 T N -0.025 114.426 114.554 -0.172 0.000 2.817 941 T HA 0.492 4.858 4.350 0.026 0.000 0.293 941 T C 1.389 175.752 174.700 -0.562 0.000 0.964 941 T CA -0.490 61.430 62.100 -0.300 0.000 1.085 941 T CB 1.380 70.056 68.868 -0.321 0.000 0.921 941 T HN 0.231 nan 8.240 nan 0.000 0.502 942 R N 1.466 121.877 120.500 -0.149 0.000 2.279 942 R HA 0.278 4.633 4.340 0.026 0.000 0.195 942 R C 0.521 176.896 176.300 0.126 0.000 0.905 942 R CA 0.223 56.335 56.100 0.020 0.000 1.044 942 R CB 0.395 30.835 30.300 0.233 0.000 1.056 942 R HN 0.682 nan 8.270 nan 0.000 0.535 943 E N 0.700 120.968 120.200 0.113 0.000 2.291 943 E HA 0.308 4.673 4.350 0.026 0.000 0.276 943 E C -1.788 174.963 176.600 0.253 0.000 0.896 943 E CA -0.650 55.887 56.400 0.227 0.000 0.774 943 E CB 1.494 31.280 29.700 0.142 0.000 1.227 943 E HN -0.123 nan 8.360 nan 0.000 0.413 944 L N 4.355 125.786 121.223 0.347 0.000 2.362 944 L HA 0.579 4.935 4.340 0.026 0.000 0.275 944 L C -1.689 175.364 176.870 0.304 0.000 0.998 944 L CA -0.460 54.522 54.840 0.237 0.000 0.820 944 L CB 1.590 43.674 42.059 0.042 0.000 1.270 944 L HN 0.455 nan 8.230 nan 0.000 0.415 945 N N 4.742 123.591 118.700 0.248 0.000 2.399 945 N HA 0.392 5.147 4.740 0.026 0.000 0.280 945 N C -1.952 173.762 175.510 0.340 0.000 1.008 945 N CA -0.236 52.949 53.050 0.225 0.000 0.894 945 N CB 2.004 40.572 38.487 0.136 0.000 1.273 945 N HN 0.580 nan 8.380 nan 0.000 0.486 946 Y N 1.249 121.661 120.300 0.187 0.000 2.323 946 Y HA 0.417 4.983 4.550 0.026 0.000 0.322 946 Y C 0.640 176.649 175.900 0.182 0.000 1.133 946 Y CA 0.130 58.350 58.100 0.200 0.000 1.093 946 Y CB 0.650 39.276 38.460 0.276 0.000 1.203 946 Y HN 0.820 nan 8.280 nan 0.000 0.427 947 G N 6.456 115.061 108.800 -0.324 0.000 2.583 947 G HA2 -0.306 3.670 3.960 0.026 0.000 0.292 947 G HA3 -0.306 3.670 3.960 0.026 0.000 0.292 947 G C -1.659 173.134 174.900 -0.178 0.000 1.203 947 G CA 0.162 45.093 45.100 -0.282 0.000 0.987 947 G HN 0.610 nan 8.290 nan 0.000 0.554 948 P HA 0.127 nan 4.420 nan 0.000 0.240 948 P C 0.266 177.355 177.300 -0.351 0.000 1.190 948 P CA 0.798 63.704 63.100 -0.323 0.000 0.781 948 P CB -0.026 31.428 31.700 -0.411 0.000 0.931 949 H N 0.514 119.486 119.070 -0.163 0.000 2.525 949 H HA 0.396 4.968 4.556 0.026 0.000 0.339 949 H C -0.028 174.973 175.328 -0.546 0.000 1.109 949 H CA 0.001 55.811 56.048 -0.397 0.000 1.352 949 H CB 1.473 30.792 29.762 -0.738 0.000 1.461 949 H HN 0.114 nan 8.280 nan 0.000 0.533 950 Q N 2.995 122.501 119.800 -0.489 0.000 2.323 950 Q HA 0.225 4.580 4.340 0.026 0.000 0.271 950 Q C -1.444 174.245 176.000 -0.518 0.000 1.048 950 Q CA -0.745 54.851 55.803 -0.345 0.000 0.792 950 Q CB 1.929 30.621 28.738 -0.076 0.000 1.280 950 Q HN 0.580 nan 8.270 nan 0.000 0.441 951 W N 3.585 124.821 121.300 -0.107 0.000 2.606 951 W HA 0.595 5.271 4.660 0.026 0.000 0.332 951 W C -0.122 176.447 176.519 0.083 0.000 1.052 951 W CA -0.748 56.513 57.345 -0.140 0.000 1.223 951 W CB 1.828 31.014 29.460 -0.458 0.000 1.383 951 W HN 0.505 nan 8.180 nan 0.000 0.524 952 R N 0.576 121.287 120.500 0.353 0.000 2.686 952 R HA 0.727 5.082 4.340 0.026 0.000 0.283 952 R C 0.097 176.647 176.300 0.416 0.000 0.978 952 R CA -0.462 55.869 56.100 0.385 0.000 0.897 952 R CB 2.398 32.847 30.300 0.249 0.000 1.192 952 R HN 0.777 nan 8.270 nan 0.000 0.457 953 G N 0.913 109.987 108.800 0.457 0.000 2.491 953 G HA2 -0.011 3.964 3.960 0.026 0.000 0.183 953 G HA3 -0.011 3.964 3.960 0.026 0.000 0.183 953 G C -1.831 173.251 174.900 0.303 0.000 1.221 953 G CA -0.436 44.901 45.100 0.395 0.000 0.996 953 G HN 0.487 nan 8.290 nan 0.000 0.474 954 D N 0.161 120.739 120.400 0.296 0.000 2.330 954 D HA 0.618 5.273 4.640 0.026 0.000 0.249 954 D C -0.683 175.668 176.300 0.086 0.000 1.306 954 D CA -0.488 53.574 54.000 0.102 0.000 0.956 954 D CB 0.207 41.073 40.800 0.110 0.000 1.261 954 D HN 0.590 nan 8.370 nan 0.000 0.544 955 F N -0.026 119.932 119.950 0.013 0.000 2.692 955 F HA 0.707 5.249 4.527 0.026 0.000 0.320 955 F C -1.169 174.605 175.800 -0.042 0.000 1.123 955 F CA -1.059 56.892 58.000 -0.082 0.000 0.961 955 F CB 0.915 39.866 39.000 -0.082 0.000 1.383 955 F HN -0.136 nan 8.300 nan 0.000 0.483 956 Q N 1.983 121.876 119.800 0.155 0.000 2.309 956 Q HA 0.597 4.952 4.340 0.026 0.000 0.264 956 Q C -1.347 174.756 176.000 0.172 0.000 1.008 956 Q CA -0.513 55.312 55.803 0.037 0.000 0.853 956 Q CB 2.604 31.270 28.738 -0.121 0.000 1.314 956 Q HN 0.840 nan 8.270 nan 0.000 0.448 957 F N -0.519 119.346 119.950 -0.143 0.000 2.601 957 F HA 0.735 5.278 4.527 0.026 0.000 0.309 957 F C -1.346 174.253 175.800 -0.335 0.000 1.089 957 F CA -1.057 56.816 58.000 -0.212 0.000 0.940 957 F CB 1.611 40.521 39.000 -0.150 0.000 1.273 957 F HN 0.559 nan 8.300 nan 0.000 0.450 958 N N 2.697 121.211 118.700 -0.309 0.000 2.312 958 N HA 0.756 5.512 4.740 0.026 0.000 0.296 958 N C -2.023 173.415 175.510 -0.120 0.000 1.193 958 N CA -0.828 52.012 53.050 -0.350 0.000 0.773 958 N CB 2.609 40.921 38.487 -0.293 0.000 1.435 958 N HN 1.081 nan 8.380 nan 0.000 0.484 959 I N 0.288 120.782 120.570 -0.126 0.000 2.627 959 I HA 0.619 4.804 4.170 0.026 0.000 0.288 959 I C -1.399 174.641 176.117 -0.129 0.000 1.202 959 I CA 0.091 61.301 61.300 -0.150 0.000 1.050 959 I CB 1.222 39.075 38.000 -0.246 0.000 1.264 959 I HN 1.020 nan 8.210 nan 0.000 0.429 960 S N 6.184 121.826 115.700 -0.098 0.000 2.672 960 S HA 0.559 5.044 4.470 0.026 0.000 0.271 960 S C -0.098 174.414 174.600 -0.146 0.000 1.171 960 S CA -0.968 57.175 58.200 -0.096 0.000 0.817 960 S CB 1.878 65.094 63.200 0.027 0.000 1.150 960 S HN 0.594 nan 8.310 nan 0.000 0.478 961 R N -0.205 120.056 120.500 -0.398 0.000 2.334 961 R HA 0.252 4.607 4.340 0.026 0.000 0.220 961 R C -0.947 175.020 176.300 -0.555 0.000 0.917 961 R CA 0.313 56.126 56.100 -0.478 0.000 1.073 961 R CB -0.908 29.004 30.300 -0.647 0.000 1.056 961 R HN 0.636 nan 8.270 nan 0.000 0.506 962 Y N -0.100 120.158 120.300 -0.070 0.000 2.376 962 Y HA 0.245 4.810 4.550 0.026 0.000 0.340 962 Y C 0.747 176.479 175.900 -0.281 0.000 0.965 962 Y CA -1.388 56.607 58.100 -0.176 0.000 1.078 962 Y CB 1.350 39.667 38.460 -0.239 0.000 1.193 962 Y HN -0.112 nan 8.280 nan 0.000 0.452 963 S N 1.692 117.127 115.700 -0.443 0.000 2.603 963 S HA 0.085 4.570 4.470 0.026 0.000 0.268 963 S C 0.892 175.189 174.600 -0.505 0.000 1.317 963 S CA -0.687 56.907 58.200 -1.010 0.000 1.012 963 S CB 1.131 63.507 63.200 -1.374 0.000 0.926 963 S HN 0.716 nan 8.310 nan 0.000 0.539 964 Q N 0.698 120.202 119.800 -0.494 0.000 2.135 964 Q HA -0.194 4.161 4.340 0.026 0.000 0.204 964 Q C 2.192 178.060 176.000 -0.220 0.000 0.981 964 Q CA 1.802 57.445 55.803 -0.267 0.000 0.856 964 Q CB -0.579 28.027 28.738 -0.220 0.000 0.902 964 Q HN 0.944 nan 8.270 nan 0.000 0.425 965 Q N 0.468 120.100 119.800 -0.280 0.000 2.061 965 Q HA -0.214 4.141 4.340 0.026 0.000 0.204 965 Q C 2.123 178.029 176.000 -0.158 0.000 0.984 965 Q CA 1.470 57.164 55.803 -0.182 0.000 0.846 965 Q CB 0.048 28.678 28.738 -0.180 0.000 0.902 965 Q HN 0.403 nan 8.270 nan 0.000 0.421 966 Q N 0.002 119.686 119.800 -0.193 0.000 2.079 966 Q HA -0.142 4.213 4.340 0.026 0.000 0.200 966 Q C 2.283 178.184 176.000 -0.165 0.000 0.974 966 Q CA 0.993 56.707 55.803 -0.149 0.000 0.840 966 Q CB -0.040 28.604 28.738 -0.157 0.000 0.898 966 Q HN 0.452 nan 8.270 nan 0.000 0.430 967 L N 0.660 121.775 121.223 -0.181 0.000 2.042 967 L HA -0.236 4.119 4.340 0.026 0.000 0.210 967 L C 2.729 179.474 176.870 -0.209 0.000 1.076 967 L CA 1.673 56.398 54.840 -0.192 0.000 0.749 967 L CB -0.453 41.523 42.059 -0.138 0.000 0.893 967 L HN 0.461 nan 8.230 nan 0.000 0.432 968 M N -1.682 117.823 119.600 -0.159 0.000 2.492 968 M HA -0.085 4.410 4.480 0.026 0.000 0.262 968 M C 1.447 177.667 176.300 -0.133 0.000 1.090 968 M CA 1.574 56.788 55.300 -0.144 0.000 1.110 968 M CB -0.182 32.358 32.600 -0.100 0.000 1.407 968 M HN 0.085 nan 8.290 nan 0.000 0.470 969 E N 0.846 120.974 120.200 -0.119 0.000 2.447 969 E HA 0.101 4.467 4.350 0.026 0.000 0.195 969 E C -0.340 176.215 176.600 -0.074 0.000 1.028 969 E CA 0.225 56.578 56.400 -0.077 0.000 0.876 969 E CB 0.576 30.243 29.700 -0.055 0.000 0.885 969 E HN 0.439 nan 8.360 nan 0.000 0.500 970 T N 0.031 114.507 114.554 -0.130 0.000 2.824 970 T HA 0.131 4.496 4.350 0.026 0.000 0.280 970 T C 1.042 175.641 174.700 -0.169 0.000 0.995 970 T CA -0.479 61.548 62.100 -0.122 0.000 1.009 970 T CB 1.727 70.504 68.868 -0.153 0.000 0.955 970 T HN 0.009 nan 8.240 nan 0.000 0.452 971 S N 1.426 117.125 115.700 -0.001 0.000 2.483 971 S HA 0.106 4.591 4.470 0.026 0.000 0.221 971 S C 0.223 174.864 174.600 0.069 0.000 1.030 971 S CA 0.096 58.365 58.200 0.115 0.000 0.925 971 S CB -0.234 63.181 63.200 0.359 0.000 0.795 971 S HN 0.740 nan 8.310 nan 0.000 0.511 972 H N 1.026 120.148 119.070 0.086 0.000 2.589 972 H HA 0.522 5.094 4.556 0.026 0.000 0.351 972 H C 1.017 176.346 175.328 0.002 0.000 1.074 972 H CA -0.787 55.360 56.048 0.165 0.000 1.203 972 H CB 1.518 31.382 29.762 0.171 0.000 1.558 972 H HN 0.185 nan 8.280 nan 0.000 0.522 973 R N 2.110 122.734 120.500 0.207 0.000 2.127 973 R HA -0.179 4.176 4.340 0.026 0.000 0.238 973 R C 1.246 177.576 176.300 0.050 0.000 1.134 973 R CA 1.907 58.062 56.100 0.092 0.000 0.975 973 R CB -0.419 29.974 30.300 0.156 0.000 0.865 973 R HN 0.790 nan 8.270 nan 0.000 0.447 974 H N 0.831 119.946 119.070 0.074 0.000 2.546 974 H HA 0.051 4.622 4.556 0.025 0.000 0.277 974 H C 1.458 176.749 175.328 -0.062 0.000 1.004 974 H CA 0.704 56.761 56.048 0.015 0.000 1.231 974 H CB -0.039 29.749 29.762 0.043 0.000 1.382 974 H HN 0.313 nan 8.280 nan 0.000 0.580 975 L N 1.048 121.876 121.223 -0.658 0.000 2.592 975 L HA 0.198 4.553 4.340 0.026 0.000 0.227 975 L C 0.617 177.370 176.870 -0.194 0.000 1.127 975 L CA -0.144 54.401 54.840 -0.491 0.000 0.884 975 L CB 0.130 41.871 42.059 -0.529 0.000 1.065 975 L HN 0.072 nan 8.230 nan 0.000 0.457 976 L N 1.208 122.323 121.223 -0.180 0.000 2.416 976 L HA 0.101 4.456 4.340 0.026 0.000 0.272 976 L C 0.189 177.085 176.870 0.043 0.000 1.161 976 L CA -0.043 54.692 54.840 -0.176 0.000 0.845 976 L CB 0.293 42.027 42.059 -0.542 0.000 1.119 976 L HN 0.190 nan 8.230 nan 0.000 0.464 977 H N 2.341 121.457 119.070 0.076 0.000 2.529 977 H HA 0.553 5.124 4.556 0.026 0.000 0.348 977 H C -0.726 174.723 175.328 0.201 0.000 1.079 977 H CA -1.267 54.854 56.048 0.121 0.000 1.198 977 H CB 1.375 31.157 29.762 0.034 0.000 1.521 977 H HN 0.654 nan 8.280 nan 0.000 0.514 978 A N 4.150 127.002 122.820 0.054 0.000 2.522 978 A HA 0.071 4.406 4.320 0.026 0.000 0.256 978 A C 0.454 177.976 177.584 -0.102 0.000 1.086 978 A CA -0.162 51.748 52.037 -0.211 0.000 0.763 978 A CB -0.319 18.563 19.000 -0.196 0.000 1.024 978 A HN 0.847 nan 8.150 nan 0.000 0.502 979 E N 1.325 121.433 120.200 -0.153 0.000 2.369 979 E HA 0.112 4.477 4.350 0.026 0.000 0.255 979 E C 0.088 176.693 176.600 0.008 0.000 1.172 979 E CA -0.468 55.936 56.400 0.007 0.000 0.932 979 E CB 0.659 30.437 29.700 0.130 0.000 1.040 979 E HN 0.768 nan 8.360 nan 0.000 0.454 980 E N 0.541 120.762 120.200 0.035 0.000 2.324 980 E HA 0.202 4.567 4.350 0.026 0.000 0.271 980 E C 0.231 176.785 176.600 -0.078 0.000 1.028 980 E CA 0.469 56.861 56.400 -0.014 0.000 0.890 980 E CB 0.353 30.050 29.700 -0.005 0.000 1.004 980 E HN 0.678 nan 8.360 nan 0.000 0.431 981 G N 3.333 112.084 108.800 -0.081 0.000 2.632 981 G HA2 -0.220 3.756 3.960 0.026 0.000 0.224 981 G HA3 -0.220 3.756 3.960 0.026 0.000 0.224 981 G C -0.625 174.204 174.900 -0.118 0.000 1.341 981 G CA -0.209 44.825 45.100 -0.110 0.000 0.880 981 G HN 0.577 nan 8.290 nan 0.000 0.566 982 T N 0.302 114.769 114.554 -0.144 0.000 2.881 982 T HA 0.501 4.867 4.350 0.026 0.000 0.291 982 T C -0.661 173.906 174.700 -0.221 0.000 0.990 982 T CA -0.172 61.863 62.100 -0.109 0.000 0.976 982 T CB 1.237 70.132 68.868 0.044 0.000 0.970 982 T HN 0.571 nan 8.240 nan 0.000 0.438 983 W N 3.160 124.373 121.300 -0.145 0.000 2.266 983 W HA 0.563 5.238 4.660 0.026 0.000 0.317 983 W C -0.138 176.257 176.519 -0.206 0.000 1.310 983 W CA -0.609 56.645 57.345 -0.151 0.000 1.207 983 W CB 0.581 29.963 29.460 -0.131 0.000 1.199 983 W HN 0.384 nan 8.180 nan 0.000 0.544 984 L N 5.473 126.696 121.223 -0.001 0.000 2.362 984 L HA 0.504 4.860 4.340 0.026 0.000 0.275 984 L C -0.960 175.823 176.870 -0.145 0.000 0.998 984 L CA -0.526 54.201 54.840 -0.188 0.000 0.820 984 L CB 1.035 42.840 42.059 -0.424 0.000 1.270 984 L HN 0.329 nan 8.230 nan 0.000 0.415 985 N N 6.858 125.456 118.700 -0.170 0.000 2.483 985 N HA 0.458 5.214 4.740 0.026 0.000 0.267 985 N C -1.220 174.158 175.510 -0.221 0.000 0.998 985 N CA -0.229 52.719 53.050 -0.169 0.000 0.918 985 N CB 2.114 40.531 38.487 -0.117 0.000 1.215 985 N HN 0.542 nan 8.380 nan 0.000 0.500 986 I N 1.803 122.194 120.570 -0.297 0.000 2.354 986 I HA 0.219 4.405 4.170 0.026 0.000 0.286 986 I C -0.551 175.404 176.117 -0.270 0.000 1.007 986 I CA -0.648 60.449 61.300 -0.338 0.000 1.167 986 I CB 1.227 38.853 38.000 -0.624 0.000 1.320 986 I HN 0.143 nan 8.210 nan 0.000 0.458 987 D N 5.006 125.284 120.400 -0.204 0.000 2.256 987 D HA 0.230 4.886 4.640 0.026 0.000 0.240 987 D C 1.039 177.071 176.300 -0.447 0.000 1.062 987 D CA -0.234 53.584 54.000 -0.303 0.000 0.832 987 D CB 2.404 43.127 40.800 -0.129 0.000 1.135 987 D HN 0.692 nan 8.370 nan 0.000 0.484 988 G N 1.408 109.609 108.800 -0.998 0.000 2.422 988 G HA2 -0.056 3.919 3.960 0.026 0.000 0.218 988 G HA3 -0.056 3.919 3.960 0.026 0.000 0.218 988 G C 0.119 174.298 174.900 -1.201 0.000 1.140 988 G CA 0.600 44.950 45.100 -1.249 0.000 0.775 988 G HN 0.394 nan 8.290 nan 0.000 0.545 989 F N -2.074 117.688 119.950 -0.314 0.000 2.608 989 F HA 0.552 5.094 4.527 0.025 0.000 0.309 989 F C -0.561 175.147 175.800 -0.153 0.000 1.103 989 F CA -1.174 56.721 58.000 -0.174 0.000 0.954 989 F CB 1.956 40.798 39.000 -0.263 0.000 1.267 989 F HN 0.001 nan 8.300 nan 0.000 0.444 990 H N 2.210 121.308 119.070 0.047 0.000 2.717 990 H HA 0.575 5.146 4.556 0.025 0.000 0.366 990 H C -0.739 174.622 175.328 0.055 0.000 1.132 990 H CA -0.924 55.126 56.048 0.003 0.000 1.180 990 H CB 1.919 31.677 29.762 -0.006 0.000 1.678 990 H HN 0.773 nan 8.280 nan 0.000 0.537 991 M N 3.330 122.937 119.600 0.010 0.000 2.241 991 M HA 0.320 4.816 4.480 0.026 0.000 0.335 991 M C 0.422 176.833 176.300 0.186 0.000 1.122 991 M CA 0.016 55.354 55.300 0.064 0.000 1.164 991 M CB 0.476 33.011 32.600 -0.109 0.000 1.459 991 M HN 0.826 nan 8.290 nan 0.000 0.461 992 G N 2.833 111.713 108.800 0.133 0.000 2.720 992 G HA2 0.211 4.186 3.960 0.026 0.000 0.237 992 G HA3 0.211 4.186 3.960 0.026 0.000 0.237 992 G C 0.560 175.424 174.900 -0.060 0.000 1.239 992 G CA -0.225 44.883 45.100 0.013 0.000 0.847 992 G HN 0.979 nan 8.290 nan 0.000 0.593 993 I N -1.500 118.984 120.570 -0.144 0.000 3.645 993 I HA 0.436 4.621 4.170 0.026 0.000 0.300 993 I C 1.251 177.285 176.117 -0.139 0.000 1.260 993 I CA 0.400 61.577 61.300 -0.204 0.000 1.365 993 I CB -0.484 37.289 38.000 -0.378 0.000 1.077 993 I HN 0.980 nan 8.210 nan 0.000 0.439 994 G N 1.533 110.277 108.800 -0.092 0.000 2.645 994 G HA2 0.055 4.031 3.960 0.026 0.000 0.239 994 G HA3 0.055 4.031 3.960 0.026 0.000 0.239 994 G C 0.561 175.445 174.900 -0.027 0.000 1.331 994 G CA 0.095 45.176 45.100 -0.031 0.000 0.890 994 G HN 1.362 nan 8.290 nan 0.000 0.572 995 G N -2.403 106.392 108.800 -0.008 0.000 2.559 995 G HA2 0.004 3.979 3.960 0.026 0.000 0.202 995 G HA3 0.004 3.979 3.960 0.026 0.000 0.202 995 G C 0.680 175.619 174.900 0.065 0.000 0.992 995 G CA 0.913 46.018 45.100 0.007 0.000 0.764 995 G HN 0.973 nan 8.290 nan 0.000 0.525 996 D N 1.277 121.734 120.400 0.096 0.000 2.133 996 D HA 0.065 4.720 4.640 0.026 0.000 0.195 996 D C 1.129 177.444 176.300 0.026 0.000 0.997 996 D CA 2.133 56.246 54.000 0.188 0.000 0.840 996 D CB 0.101 41.007 40.800 0.177 0.000 0.947 996 D HN 0.807 nan 8.370 nan 0.000 0.452 997 D N -3.232 116.979 120.400 -0.315 0.000 2.664 997 D HA 0.403 5.059 4.640 0.026 0.000 0.292 997 D C -0.685 175.119 176.300 -0.827 0.000 1.214 997 D CA -0.726 52.680 54.000 -0.989 0.000 0.932 997 D CB 1.018 40.752 40.800 -1.776 0.000 1.420 997 D HN -0.287 nan 8.370 nan 0.000 0.471 998 S N -1.042 113.990 115.700 -1.114 0.000 2.754 998 S HA 0.211 4.697 4.470 0.026 0.000 0.247 998 S C -0.516 174.085 174.600 0.001 0.000 1.031 998 S CA -0.702 57.295 58.200 -0.337 0.000 1.014 998 S CB -0.398 62.789 63.200 -0.021 0.000 0.918 998 S HN 0.636 nan 8.310 nan 0.000 0.519 999 W N 1.427 122.693 121.300 -0.058 0.000 2.714 999 W HA 0.557 5.232 4.660 0.024 0.000 0.353 999 W C 0.152 176.640 176.519 -0.050 0.000 0.999 999 W CA -0.384 56.932 57.345 -0.048 0.000 1.629 999 W CB -0.383 28.974 29.460 -0.172 0.000 1.106 999 W HN 0.186 nan 8.180 nan 0.000 0.545 1000 S N -1.072 114.556 115.700 -0.119 0.000 2.570 1000 S HA 0.607 5.092 4.470 0.026 0.000 0.270 1000 S C -3.132 171.429 174.600 -0.064 0.000 1.149 1000 S CA -1.696 56.467 58.200 -0.063 0.000 0.837 1000 S CB 1.567 64.752 63.200 -0.026 0.000 1.124 1000 S HN -0.237 nan 8.310 nan 0.000 0.465 1001 P HA 0.191 nan 4.420 nan 0.000 0.262 1001 P C 0.398 177.758 177.300 0.101 0.000 1.199 1001 P CA 0.019 63.158 63.100 0.065 0.000 0.763 1001 P CB 0.645 32.251 31.700 -0.155 0.000 0.790 1002 S N 0.866 116.655 115.700 0.148 0.000 2.733 1002 S HA 0.115 4.601 4.470 0.026 0.000 0.247 1002 S C 0.339 175.017 174.600 0.130 0.000 1.043 1002 S CA -0.249 58.002 58.200 0.085 0.000 1.066 1002 S CB -0.204 62.992 63.200 -0.005 0.000 1.045 1002 S HN 0.121 nan 8.310 nan 0.000 0.586 1003 V N 3.163 123.195 119.914 0.197 0.000 2.479 1003 V HA 0.318 4.453 4.120 0.026 0.000 0.281 1003 V C 0.829 177.065 176.094 0.238 0.000 1.031 1003 V CA -0.142 62.262 62.300 0.172 0.000 1.038 1003 V CB 0.810 32.679 31.823 0.077 0.000 0.981 1003 V HN 0.524 nan 8.190 nan 0.000 0.478 1004 S N 4.190 120.037 115.700 0.245 0.000 2.572 1004 S HA 0.311 4.796 4.470 0.026 0.000 0.279 1004 S C 1.525 176.263 174.600 0.230 0.000 1.341 1004 S CA 0.033 58.375 58.200 0.237 0.000 1.043 1004 S CB 1.176 64.539 63.200 0.273 0.000 0.887 1004 S HN 0.981 nan 8.310 nan 0.000 0.516 1005 A N 3.411 126.324 122.820 0.155 0.000 1.948 1005 A HA -0.149 4.187 4.320 0.026 0.000 0.220 1005 A C 2.033 179.647 177.584 0.049 0.000 1.177 1005 A CA 1.865 53.976 52.037 0.124 0.000 0.636 1005 A CB -0.681 18.371 19.000 0.087 0.000 0.815 1005 A HN 0.960 nan 8.150 nan 0.000 0.449 1006 E N -1.033 119.139 120.200 -0.046 0.000 2.418 1006 E HA -0.118 4.247 4.350 0.026 0.000 0.197 1006 E C 0.577 176.964 176.600 -0.355 0.000 1.026 1006 E CA 0.731 56.991 56.400 -0.233 0.000 0.862 1006 E CB -0.384 29.093 29.700 -0.371 0.000 0.799 1006 E HN 0.612 nan 8.360 nan 0.000 0.518 1007 F N 1.336 121.327 119.950 0.067 0.000 2.639 1007 F HA 0.310 4.852 4.527 0.025 0.000 0.302 1007 F C 0.717 176.544 175.800 0.045 0.000 1.097 1007 F CA -0.340 57.701 58.000 0.068 0.000 1.294 1007 F CB 0.413 39.454 39.000 0.069 0.000 1.027 1007 F HN -0.175 nan 8.300 nan 0.000 0.550 1008 Q N 0.985 120.879 119.800 0.157 0.000 2.230 1008 Q HA 0.443 4.798 4.340 0.026 0.000 0.253 1008 Q C -0.304 175.707 176.000 0.018 0.000 0.919 1008 Q CA -0.586 55.277 55.803 0.100 0.000 0.908 1008 Q CB 2.025 30.882 28.738 0.197 0.000 1.245 1008 Q HN 0.208 nan 8.270 nan 0.000 0.437 1009 L N 2.490 123.714 121.223 0.002 0.000 2.404 1009 L HA 0.099 4.454 4.340 0.026 0.000 0.277 1009 L C 0.609 177.446 176.870 -0.054 0.000 1.184 1009 L CA -0.008 54.823 54.840 -0.015 0.000 1.013 1009 L CB -0.329 41.622 42.059 -0.180 0.000 1.318 1009 L HN 0.720 nan 8.230 nan 0.000 0.435 1010 S N -0.557 115.056 115.700 -0.144 0.000 2.578 1010 S HA 0.129 4.615 4.470 0.026 0.000 0.228 1010 S C 1.815 176.358 174.600 -0.095 0.000 1.022 1010 S CA 0.215 58.171 58.200 -0.406 0.000 0.967 1010 S CB 0.687 63.492 63.200 -0.658 0.000 0.914 1010 S HN 0.534 nan 8.310 nan 0.000 0.515 1011 A N 2.039 124.809 122.820 -0.083 0.000 1.986 1011 A HA 0.324 4.659 4.320 0.026 0.000 0.220 1011 A C 2.179 179.616 177.584 -0.244 0.000 1.171 1011 A CA 2.058 53.909 52.037 -0.309 0.000 0.640 1011 A CB -1.362 17.174 19.000 -0.772 0.000 0.811 1011 A HN 1.513 nan 8.150 nan 0.000 0.451 1012 G N -1.649 107.093 108.800 -0.097 0.000 3.586 1012 G HA2 -0.262 3.713 3.960 0.026 0.000 0.212 1012 G HA3 -0.262 3.713 3.960 0.026 0.000 0.212 1012 G C 0.432 175.333 174.900 0.002 0.000 1.411 1012 G CA 0.209 45.317 45.100 0.013 0.000 0.898 1012 G HN 0.695 nan 8.290 nan 0.000 0.575 1013 R N 0.144 120.542 120.500 -0.171 0.000 2.387 1013 R HA 0.675 5.030 4.340 0.026 0.000 0.314 1013 R C -1.381 174.750 176.300 -0.281 0.000 0.958 1013 R CA -0.450 55.594 56.100 -0.093 0.000 0.846 1013 R CB 1.170 31.445 30.300 -0.042 0.000 1.147 1013 R HN 0.335 nan 8.270 nan 0.000 0.447 1014 Y N 0.575 120.900 120.300 0.042 0.000 2.446 1014 Y HA 0.311 4.876 4.550 0.025 0.000 0.345 1014 Y C -0.309 175.788 175.900 0.328 0.000 0.984 1014 Y CA -0.808 57.319 58.100 0.044 0.000 1.058 1014 Y CB 2.053 40.433 38.460 -0.134 0.000 1.220 1014 Y HN 0.568 nan 8.280 nan 0.000 0.455 1015 H N 3.226 122.622 119.070 0.542 0.000 2.667 1015 H HA 0.556 5.128 4.556 0.025 0.000 0.353 1015 H C -1.758 173.951 175.328 0.635 0.000 1.072 1015 H CA -0.862 55.464 56.048 0.463 0.000 1.214 1015 H CB 1.006 30.921 29.762 0.256 0.000 1.600 1015 H HN 0.588 nan 8.280 nan 0.000 0.527 1016 Y N 2.144 122.290 120.300 -0.257 0.000 2.571 1016 Y HA 0.435 5.000 4.550 0.026 0.000 0.341 1016 Y C -1.881 173.821 175.900 -0.330 0.000 1.076 1016 Y CA -1.128 56.837 58.100 -0.224 0.000 1.029 1016 Y CB 1.458 39.838 38.460 -0.132 0.000 1.308 1016 Y HN 0.727 nan 8.280 nan 0.000 0.461 1017 Q N 3.218 122.972 119.800 -0.077 0.000 2.359 1017 Q HA 0.781 5.136 4.340 0.026 0.000 0.274 1017 Q C -2.226 173.833 176.000 0.099 0.000 1.074 1017 Q CA -1.078 54.683 55.803 -0.070 0.000 0.810 1017 Q CB 3.269 32.010 28.738 0.006 0.000 1.342 1017 Q HN 0.898 nan 8.270 nan 0.000 0.427 1018 L N 1.798 123.070 121.223 0.082 0.000 2.436 1018 L HA 0.566 4.921 4.340 0.026 0.000 0.268 1018 L C -1.079 175.907 176.870 0.194 0.000 0.974 1018 L CA -1.129 53.806 54.840 0.158 0.000 0.826 1018 L CB 2.661 44.801 42.059 0.135 0.000 1.291 1018 L HN 0.525 nan 8.230 nan 0.000 0.406 1019 V N 2.275 122.326 119.914 0.229 0.000 2.328 1019 V HA 0.290 4.426 4.120 0.026 0.000 0.278 1019 V C -0.812 175.463 176.094 0.303 0.000 1.021 1019 V CA -0.398 62.046 62.300 0.240 0.000 0.838 1019 V CB 1.382 33.319 31.823 0.190 0.000 0.999 1019 V HN 0.582 nan 8.190 nan 0.000 0.447 1020 W N 7.350 128.729 121.300 0.131 0.000 2.390 1020 W HA 0.673 5.349 4.660 0.026 0.000 0.312 1020 W C -0.059 176.475 176.519 0.025 0.000 1.123 1020 W CA -1.032 56.325 57.345 0.020 0.000 1.202 1020 W CB 1.362 30.902 29.460 0.134 0.000 1.251 1020 W HN 0.834 nan 8.180 nan 0.000 0.511 1021 C N 3.976 123.556 119.300 0.467 0.000 3.316 1021 C HA 0.663 5.138 4.460 0.026 0.000 0.360 1021 C C -0.591 174.510 174.990 0.186 0.000 1.560 1021 C CA -0.819 58.379 59.018 0.299 0.000 1.229 1021 C CB 1.516 29.362 27.740 0.176 0.000 1.823 1021 C HN 0.722 nan 8.230 nan 0.000 0.440 1022 Q N 1.040 120.893 119.800 0.088 0.000 2.241 1022 Q HA 0.771 5.126 4.340 0.026 0.000 0.262 1022 Q C -0.715 175.270 176.000 -0.025 0.000 1.014 1022 Q CA -0.427 55.367 55.803 -0.016 0.000 0.885 1022 Q CB 1.763 30.474 28.738 -0.045 0.000 1.311 1022 Q HN 0.845 nan 8.270 nan 0.000 0.461 1023 K N 0.000 120.362 120.400 -0.063 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.026 0.000 0.191 1023 K CA 0.000 56.261 56.287 -0.043 0.000 0.838 1023 K CB 0.000 32.481 32.500 -0.032 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543