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 1jz2_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND 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 0.000 176.121 176.300 -0.298 0.000 0.893 13 R CA 0.000 55.985 56.100 -0.192 0.000 0.921 13 R CB 0.000 30.182 30.300 -0.196 0.000 0.687 14 R N 1.831 122.030 120.500 -0.502 0.000 4.164 14 R HA 0.076 4.423 4.340 0.011 0.000 0.195 14 R C 0.254 176.022 176.300 -0.887 0.000 1.712 14 R CA -0.242 55.152 56.100 -1.176 0.000 1.457 14 R CB 0.101 29.830 30.300 -0.952 0.000 1.387 14 R HN 0.437 nan 8.270 nan 0.000 0.785 15 D N 0.982 121.068 120.400 -0.523 0.000 2.265 15 D HA -0.189 4.458 4.640 0.011 0.000 0.208 15 D C 1.351 177.580 176.300 -0.120 0.000 0.977 15 D CA 1.122 54.911 54.000 -0.352 0.000 0.871 15 D CB 0.103 40.524 40.800 -0.632 0.000 0.925 15 D HN 0.656 nan 8.370 nan 0.000 0.485 16 W N 1.258 122.570 121.300 0.019 0.000 3.077 16 W HA 0.193 4.859 4.660 0.011 0.000 0.245 16 W C 0.455 177.065 176.519 0.152 0.000 1.316 16 W CA -0.251 57.207 57.345 0.188 0.000 1.537 16 W CB -0.234 29.376 29.460 0.250 0.000 1.131 16 W HN -0.194 nan 8.180 nan 0.000 0.695 17 E N 1.129 121.175 120.200 -0.255 0.000 3.157 17 E HA 0.054 4.411 4.350 0.011 0.000 0.203 17 E C -0.740 175.719 176.600 -0.236 0.000 0.982 17 E CA -0.242 56.050 56.400 -0.181 0.000 1.217 17 E CB -0.160 29.432 29.700 -0.180 0.000 1.123 17 E HN 0.038 nan 8.360 nan 0.000 0.457 18 N N 0.928 119.519 118.700 -0.183 0.000 2.599 18 N HA 0.133 4.880 4.740 0.011 0.000 0.283 18 N C -2.446 172.922 175.510 -0.238 0.000 1.160 18 N CA -1.979 50.925 53.050 -0.243 0.000 0.869 18 N CB 1.469 39.826 38.487 -0.216 0.000 1.448 18 N HN -0.191 nan 8.380 nan 0.000 0.535 19 P HA 0.103 nan 4.420 nan 0.000 0.239 19 P C 0.996 178.052 177.300 -0.406 0.000 1.184 19 P CA 0.478 63.255 63.100 -0.538 0.000 0.760 19 P CB 0.055 30.944 31.700 -1.351 0.000 0.884 20 G N -0.500 108.113 108.800 -0.311 0.000 2.712 20 G HA2 0.069 4.036 3.960 0.011 0.000 0.212 20 G HA3 0.069 4.036 3.960 0.011 0.000 0.212 20 G C 0.249 175.072 174.900 -0.128 0.000 1.142 20 G CA 0.175 45.144 45.100 -0.220 0.000 0.789 20 G HN 0.209 nan 8.290 nan 0.000 0.535 21 V N 1.692 121.549 119.914 -0.094 0.000 2.349 21 V HA 0.320 4.446 4.120 0.011 0.000 0.284 21 V C 0.725 176.878 176.094 0.099 0.000 1.014 21 V CA 0.078 62.378 62.300 -0.001 0.000 0.826 21 V CB 1.310 33.121 31.823 -0.021 0.000 1.009 21 V HN 0.313 nan 8.190 nan 0.000 0.431 22 T N 0.679 115.280 114.554 0.079 0.000 3.044 22 T HA 0.412 4.768 4.350 0.011 0.000 0.260 22 T C 0.173 174.901 174.700 0.048 0.000 1.019 22 T CA -0.021 62.125 62.100 0.076 0.000 0.921 22 T CB 0.291 69.161 68.868 0.003 0.000 1.053 22 T HN 0.708 nan 8.240 nan 0.000 0.533 23 Q N 0.179 120.060 119.800 0.136 0.000 2.848 23 Q HA 0.676 5.023 4.340 0.011 0.000 0.288 23 Q C -2.342 173.793 176.000 0.225 0.000 0.907 23 Q CA -1.089 54.791 55.803 0.128 0.000 0.792 23 Q CB 0.750 29.488 28.738 -0.000 0.000 1.534 23 Q HN 0.203 nan 8.270 nan 0.000 0.419 24 L N 1.488 122.873 121.223 0.270 0.000 2.505 24 L HA 0.593 4.940 4.340 0.011 0.000 0.266 24 L C -0.643 176.372 176.870 0.241 0.000 0.954 24 L CA -0.846 54.160 54.840 0.277 0.000 0.852 24 L CB 2.033 44.362 42.059 0.451 0.000 1.282 24 L HN 0.849 nan 8.230 nan 0.000 0.403 25 N N 0.774 119.578 118.700 0.172 0.000 2.753 25 N HA -0.212 4.535 4.740 0.011 0.000 0.251 25 N C 0.243 175.838 175.510 0.142 0.000 1.097 25 N CA 0.858 53.996 53.050 0.147 0.000 0.786 25 N CB -0.760 37.779 38.487 0.087 0.000 1.137 25 N HN 0.646 nan 8.380 nan 0.000 0.566 26 R N 0.937 121.445 120.500 0.014 0.000 2.491 26 R HA 0.325 4.672 4.340 0.011 0.000 0.283 26 R C 0.666 176.819 176.300 -0.245 0.000 1.072 26 R CA -0.258 55.628 56.100 -0.357 0.000 1.048 26 R CB 0.484 30.560 30.300 -0.373 0.000 0.983 26 R HN 0.125 nan 8.270 nan 0.000 0.450 27 L N 2.712 123.752 121.223 -0.305 0.000 2.476 27 L HA 0.279 4.626 4.340 0.011 0.000 0.255 27 L C 0.678 177.486 176.870 -0.104 0.000 1.218 27 L CA -0.481 54.279 54.840 -0.133 0.000 0.819 27 L CB 0.481 42.493 42.059 -0.078 0.000 1.119 27 L HN 0.727 nan 8.230 nan 0.000 0.485 28 A N 0.778 123.582 122.820 -0.025 0.000 2.445 28 A HA 0.535 4.861 4.320 0.011 0.000 0.242 28 A C 0.252 177.843 177.584 0.012 0.000 1.075 28 A CA -0.036 51.998 52.037 -0.005 0.000 0.777 28 A CB 0.207 19.229 19.000 0.036 0.000 1.013 28 A HN 0.774 nan 8.150 nan 0.000 0.493 29 A N 1.252 124.027 122.820 -0.075 0.000 2.313 29 A HA 0.696 5.023 4.320 0.011 0.000 0.261 29 A C 0.141 177.614 177.584 -0.184 0.000 1.090 29 A CA 0.588 52.494 52.037 -0.220 0.000 0.807 29 A CB -0.046 18.829 19.000 -0.208 0.000 1.055 29 A HN 2.022 nan 8.150 nan 0.000 0.492 30 H N -3.032 115.911 119.070 -0.211 0.000 2.894 30 H HA 0.568 5.131 4.556 0.011 0.000 0.282 30 H C -3.421 171.637 175.328 -0.451 0.000 1.448 30 H CA -1.580 54.296 56.048 -0.287 0.000 1.158 30 H CB -0.153 29.424 29.762 -0.308 0.000 1.818 30 H HN 0.402 nan 8.280 nan 0.000 0.493 31 P HA 0.222 nan 4.420 nan 0.000 0.273 31 P C -2.590 174.409 177.300 -0.502 0.000 1.250 31 P CA -1.501 61.353 63.100 -0.410 0.000 0.793 31 P CB -0.391 31.057 31.700 -0.420 0.000 1.011 32 P HA 0.067 nan 4.420 nan 0.000 0.261 32 P C -0.727 176.642 177.300 0.116 0.000 1.203 32 P CA 1.061 64.113 63.100 -0.080 0.000 0.767 32 P CB -0.270 31.460 31.700 0.050 0.000 0.785 33 F N 1.492 121.519 119.950 0.127 0.000 2.541 33 F HA 0.612 5.145 4.527 0.011 0.000 0.331 33 F C 1.163 176.889 175.800 -0.124 0.000 1.057 33 F CA -1.047 56.974 58.000 0.035 0.000 0.975 33 F CB 1.956 40.935 39.000 -0.035 0.000 1.246 33 F HN 0.193 nan 8.300 nan 0.000 0.484 34 A N 0.103 122.889 122.820 -0.057 0.000 2.606 34 A HA 0.238 4.565 4.320 0.011 0.000 0.230 34 A C 0.543 177.860 177.584 -0.444 0.000 1.279 34 A CA 0.357 52.111 52.037 -0.471 0.000 1.010 34 A CB -0.145 18.060 19.000 -1.326 0.000 1.271 34 A HN 0.721 nan 8.150 nan 0.000 0.584 35 S N 0.547 116.095 115.700 -0.252 0.000 3.484 35 S HA -0.146 4.330 4.470 0.011 0.000 0.384 35 S C -0.038 174.508 174.600 -0.090 0.000 0.932 35 S CA 0.429 58.528 58.200 -0.168 0.000 1.293 35 S CB -1.468 61.632 63.200 -0.168 0.000 0.919 35 S HN 0.464 nan 8.310 nan 0.000 0.540 36 W N 1.905 123.202 121.300 -0.006 0.000 2.184 36 W HA 0.331 4.998 4.660 0.011 0.000 0.338 36 W C 1.301 177.821 176.519 0.000 0.000 1.257 36 W CA -0.700 56.651 57.345 0.011 0.000 1.243 36 W CB 0.368 29.832 29.460 0.007 0.000 1.122 36 W HN 0.313 nan 8.180 nan 0.000 0.585 37 R N 1.804 122.452 120.500 0.248 0.000 2.577 37 R HA 0.091 4.437 4.340 0.011 0.000 0.344 37 R C -0.165 176.208 176.300 0.122 0.000 1.037 37 R CA -0.146 56.041 56.100 0.146 0.000 1.102 37 R CB -0.294 30.072 30.300 0.110 0.000 1.313 37 R HN 0.360 nan 8.270 nan 0.000 0.561 38 N N 0.056 118.841 118.700 0.142 0.000 2.519 38 N HA 0.087 4.833 4.740 0.011 0.000 0.291 38 N C -0.030 175.459 175.510 -0.034 0.000 1.107 38 N CA 0.025 53.105 53.050 0.051 0.000 0.904 38 N CB 1.691 40.205 38.487 0.045 0.000 1.500 38 N HN -0.238 nan 8.380 nan 0.000 0.510 39 S N 2.577 118.242 115.700 -0.059 0.000 2.387 39 S HA -0.195 4.281 4.470 0.011 0.000 0.230 39 S C 1.406 175.853 174.600 -0.255 0.000 1.035 39 S CA 1.359 59.480 58.200 -0.132 0.000 1.014 39 S CB -0.049 63.102 63.200 -0.080 0.000 0.836 39 S HN 0.746 nan 8.310 nan 0.000 0.466 40 E N 1.255 121.321 120.200 -0.224 0.000 2.110 40 E HA -0.126 4.231 4.350 0.011 0.000 0.193 40 E C 1.996 178.392 176.600 -0.340 0.000 0.988 40 E CA 0.993 57.224 56.400 -0.283 0.000 0.804 40 E CB -0.067 29.515 29.700 -0.195 0.000 0.745 40 E HN 0.359 nan 8.360 nan 0.000 0.458 41 E N -0.206 119.803 120.200 -0.319 0.000 2.152 41 E HA -0.115 4.242 4.350 0.011 0.000 0.192 41 E C 1.950 177.965 176.600 -0.975 0.000 0.983 41 E CA 0.950 57.112 56.400 -0.397 0.000 0.818 41 E CB -0.233 29.377 29.700 -0.149 0.000 0.758 41 E HN 0.358 nan 8.360 nan 0.000 0.467 42 A N 1.597 123.655 122.820 -1.270 0.000 1.873 42 A HA -0.175 4.152 4.320 0.011 0.000 0.215 42 A C 2.232 179.200 177.584 -1.026 0.000 1.186 42 A CA 1.496 52.390 52.037 -1.905 0.000 0.616 42 A CB -0.465 17.958 19.000 -0.960 0.000 0.823 42 A HN 0.109 nan 8.150 nan 0.000 0.442 43 R N -0.185 119.919 120.500 -0.660 0.000 2.080 43 R HA -0.159 4.188 4.340 0.011 0.000 0.236 43 R C 2.166 178.215 176.300 -0.419 0.000 1.137 43 R CA 2.344 58.129 56.100 -0.526 0.000 0.943 43 R CB -0.622 29.269 30.300 -0.682 0.000 0.846 43 R HN 0.625 nan 8.270 nan 0.000 0.431 44 T N -2.193 112.125 114.554 -0.394 0.000 3.160 44 T HA -0.022 4.334 4.350 0.011 0.000 0.257 44 T C 0.368 174.969 174.700 -0.165 0.000 1.147 44 T CA 0.744 62.697 62.100 -0.246 0.000 1.064 44 T CB -0.076 68.671 68.868 -0.201 0.000 0.949 44 T HN 0.447 nan 8.240 nan 0.000 0.526 45 D N 0.561 120.812 120.400 -0.248 0.000 2.907 45 D HA -0.154 4.493 4.640 0.011 0.000 0.226 45 D C 0.041 176.425 176.300 0.141 0.000 1.141 45 D CA 0.363 54.347 54.000 -0.026 0.000 0.779 45 D CB -1.400 39.448 40.800 0.080 0.000 1.095 45 D HN 0.595 nan 8.370 nan 0.000 0.430 46 R N 0.198 120.742 120.500 0.074 0.000 2.637 46 R HA 0.489 4.835 4.340 0.011 0.000 0.269 46 R C -1.984 174.577 176.300 0.435 0.000 1.089 46 R CA -1.202 55.018 56.100 0.200 0.000 1.177 46 R CB 0.298 30.659 30.300 0.102 0.000 1.091 46 R HN 0.072 nan 8.270 nan 0.000 0.540 47 P HA -0.039 nan 4.420 nan 0.000 0.268 47 P C -0.930 176.540 177.300 0.283 0.000 1.208 47 P CA 0.055 63.302 63.100 0.244 0.000 0.777 47 P CB 0.789 32.579 31.700 0.149 0.000 0.875 48 S N 1.149 116.910 115.700 0.102 0.000 2.502 48 S HA 0.150 4.627 4.470 0.011 0.000 0.304 48 S C 0.931 175.550 174.600 0.031 0.000 1.097 48 S CA -0.571 57.628 58.200 -0.001 0.000 1.045 48 S CB 0.844 63.699 63.200 -0.575 0.000 1.019 48 S HN 0.256 nan 8.310 nan 0.000 0.481 49 Q N 2.239 122.099 119.800 0.099 0.000 2.297 49 Q HA -0.107 4.240 4.340 0.011 0.000 0.208 49 Q C 0.917 177.047 176.000 0.216 0.000 0.981 49 Q CA 1.557 57.444 55.803 0.141 0.000 0.876 49 Q CB -0.074 28.752 28.738 0.148 0.000 0.921 49 Q HN 0.746 nan 8.270 nan 0.000 0.446 50 Q N -0.469 119.412 119.800 0.134 0.000 2.403 50 Q HA 0.106 4.453 4.340 0.011 0.000 0.203 50 Q C -0.126 175.945 176.000 0.118 0.000 0.932 50 Q CA 0.147 56.033 55.803 0.139 0.000 0.945 50 Q CB 0.287 29.016 28.738 -0.015 0.000 1.045 50 Q HN 0.052 nan 8.270 nan 0.000 0.511 51 L N 0.897 122.173 121.223 0.090 0.000 2.372 51 L HA 0.467 4.813 4.340 0.011 0.000 0.273 51 L C -1.012 175.926 176.870 0.114 0.000 0.989 51 L CA -0.708 54.172 54.840 0.066 0.000 0.841 51 L CB 1.233 43.250 42.059 -0.069 0.000 1.225 51 L HN 0.016 nan 8.230 nan 0.000 0.414 52 R N 3.234 123.835 120.500 0.169 0.000 2.599 52 R HA 0.716 5.062 4.340 0.011 0.000 0.295 52 R C -1.156 175.183 176.300 0.065 0.000 0.963 52 R CA -0.441 55.732 56.100 0.122 0.000 0.883 52 R CB 1.838 32.224 30.300 0.144 0.000 1.171 52 R HN 0.665 nan 8.270 nan 0.000 0.450 53 S N 3.608 119.335 115.700 0.044 0.000 2.537 53 S HA 0.284 4.761 4.470 0.011 0.000 0.275 53 S C 0.589 175.210 174.600 0.034 0.000 1.272 53 S CA -0.769 57.449 58.200 0.029 0.000 1.050 53 S CB 0.713 63.935 63.200 0.036 0.000 0.961 53 S HN 0.709 nan 8.310 nan 0.000 0.496 54 L N 3.319 124.566 121.223 0.041 0.000 2.728 54 L HA 0.296 4.643 4.340 0.011 0.000 0.238 54 L C 0.137 177.193 176.870 0.311 0.000 1.143 54 L CA -0.363 54.539 54.840 0.104 0.000 0.937 54 L CB -0.282 41.803 42.059 0.043 0.000 1.225 54 L HN 0.520 nan 8.230 nan 0.000 0.507 55 N N 1.327 120.134 118.700 0.178 0.000 2.508 55 N HA 0.472 5.218 4.740 0.011 0.000 0.264 55 N C 0.593 176.242 175.510 0.231 0.000 1.216 55 N CA 0.887 54.046 53.050 0.181 0.000 0.943 55 N CB 1.471 39.994 38.487 0.059 0.000 1.113 55 N HN 0.283 nan 8.380 nan 0.000 0.447 56 G N 0.713 109.680 108.800 0.279 0.000 2.439 56 G HA2 -0.027 3.940 3.960 0.011 0.000 0.186 56 G HA3 -0.027 3.940 3.960 0.011 0.000 0.186 56 G C -1.607 173.500 174.900 0.346 0.000 1.260 56 G CA -0.730 44.514 45.100 0.241 0.000 1.020 56 G HN 0.453 nan 8.290 nan 0.000 0.470 57 E N 0.058 120.437 120.200 0.298 0.000 2.229 57 E HA 0.478 4.834 4.350 0.011 0.000 0.283 57 E C -1.044 175.812 176.600 0.428 0.000 1.030 57 E CA -0.207 56.382 56.400 0.315 0.000 0.836 57 E CB 1.324 31.132 29.700 0.180 0.000 1.068 57 E HN 0.353 nan 8.360 nan 0.000 0.401 58 W N 1.477 122.869 121.300 0.152 0.000 2.958 58 W HA 0.415 5.082 4.660 0.011 0.000 0.339 58 W C 0.151 176.791 176.519 0.201 0.000 1.174 58 W CA -0.716 56.746 57.345 0.196 0.000 1.064 58 W CB 0.804 30.433 29.460 0.282 0.000 1.471 58 W HN 0.187 nan 8.180 nan 0.000 0.599 59 R N 1.218 122.003 120.500 0.475 0.000 2.532 59 R HA 0.622 4.968 4.340 0.011 0.000 0.295 59 R C -1.597 174.950 176.300 0.410 0.000 0.968 59 R CA -0.895 55.416 56.100 0.351 0.000 0.916 59 R CB 1.726 32.171 30.300 0.243 0.000 1.124 59 R HN 0.456 nan 8.270 nan 0.000 0.463 60 F N 0.258 120.245 119.950 0.063 0.000 2.601 60 F HA 0.654 5.188 4.527 0.011 0.000 0.309 60 F C -1.558 174.085 175.800 -0.263 0.000 1.089 60 F CA -0.545 57.349 58.000 -0.176 0.000 0.940 60 F CB 2.136 40.910 39.000 -0.378 0.000 1.273 60 F HN 0.627 nan 8.300 nan 0.000 0.450 61 A N 3.958 125.986 122.820 -1.319 0.000 2.517 61 A HA 0.512 4.838 4.320 0.011 0.000 0.297 61 A C -2.485 174.027 177.584 -1.788 0.000 1.050 61 A CA -0.473 50.849 52.037 -1.193 0.000 0.694 61 A CB 0.596 19.236 19.000 -0.600 0.000 1.277 61 A HN 0.928 nan 8.150 nan 0.000 0.400 62 W N 3.011 123.338 121.300 -1.622 0.000 2.390 62 W HA 0.736 5.402 4.660 0.011 0.000 0.312 62 W C -1.688 174.020 176.519 -1.352 0.000 1.123 62 W CA -0.162 56.406 57.345 -1.295 0.000 1.202 62 W CB 0.944 29.985 29.460 -0.698 0.000 1.251 62 W HN 0.504 nan 8.180 nan 0.000 0.511 63 F N 6.442 125.763 119.950 -1.048 0.000 2.588 63 F HA 0.388 4.922 4.527 0.011 0.000 0.314 63 F C -1.400 173.535 175.800 -1.442 0.000 1.069 63 F CA -2.303 55.192 58.000 -0.841 0.000 0.931 63 F CB 1.691 40.341 39.000 -0.583 0.000 1.260 63 F HN 0.177 nan 8.300 nan 0.000 0.465 64 P HA 0.155 nan 4.420 nan 0.000 0.231 64 P C -0.418 176.796 177.300 -0.144 0.000 1.168 64 P CA 0.708 63.619 63.100 -0.316 0.000 0.779 64 P CB 0.700 32.479 31.700 0.132 0.000 0.844 65 A N -0.473 122.256 122.820 -0.152 0.000 2.594 65 A HA 0.502 4.829 4.320 0.011 0.000 0.296 65 A C -2.417 175.070 177.584 -0.162 0.000 1.056 65 A CA -1.004 50.980 52.037 -0.089 0.000 0.693 65 A CB 0.472 19.481 19.000 0.016 0.000 1.278 65 A HN -0.301 nan 8.150 nan 0.000 0.408 66 P HA -0.164 nan 4.420 nan 0.000 0.217 66 P C 0.683 177.881 177.300 -0.171 0.000 1.148 66 P CA 1.651 64.613 63.100 -0.230 0.000 0.828 66 P CB 0.219 31.731 31.700 -0.313 0.000 0.783 67 E N -0.239 119.915 120.200 -0.076 0.000 2.409 67 E HA -0.001 4.355 4.350 0.011 0.000 0.198 67 E C 1.991 178.506 176.600 -0.142 0.000 1.024 67 E CA 0.992 57.353 56.400 -0.065 0.000 0.861 67 E CB -0.790 28.913 29.700 0.006 0.000 0.788 67 E HN 0.260 nan 8.360 nan 0.000 0.521 68 A N 0.409 123.103 122.820 -0.210 0.000 2.178 68 A HA 0.095 4.421 4.320 0.011 0.000 0.211 68 A C 0.791 178.023 177.584 -0.587 0.000 1.157 68 A CA -0.139 51.752 52.037 -0.243 0.000 0.780 68 A CB 0.237 19.186 19.000 -0.084 0.000 0.828 68 A HN 0.060 nan 8.150 nan 0.000 0.476 69 V N 2.818 122.277 119.914 -0.758 0.000 2.521 69 V HA 0.204 4.331 4.120 0.011 0.000 0.286 69 V C -2.233 173.528 176.094 -0.555 0.000 1.034 69 V CA -1.339 60.319 62.300 -1.069 0.000 1.045 69 V CB 0.559 31.833 31.823 -0.916 0.000 0.974 69 V HN 0.296 nan 8.190 nan 0.000 0.480 70 P HA 0.335 nan 4.420 nan 0.000 0.282 70 P C 0.110 177.345 177.300 -0.108 0.000 1.249 70 P CA -0.528 62.446 63.100 -0.209 0.000 0.806 70 P CB 1.335 32.959 31.700 -0.127 0.000 0.984 71 E N 0.611 120.760 120.200 -0.084 0.000 2.204 71 E HA -0.157 4.200 4.350 0.011 0.000 0.195 71 E C 1.910 178.478 176.600 -0.053 0.000 0.990 71 E CA 1.363 57.717 56.400 -0.077 0.000 0.821 71 E CB -0.915 28.738 29.700 -0.078 0.000 0.750 71 E HN 0.538 nan 8.360 nan 0.000 0.477 72 S N -0.069 115.621 115.700 -0.017 0.000 2.380 72 S HA -0.256 4.221 4.470 0.011 0.000 0.229 72 S C 1.848 176.456 174.600 0.013 0.000 1.043 72 S CA 1.334 59.534 58.200 -0.001 0.000 1.038 72 S CB -0.626 62.589 63.200 0.026 0.000 0.872 72 S HN 0.556 nan 8.310 nan 0.000 0.456 73 W N 1.995 123.208 121.300 -0.146 0.000 2.325 73 W HA -0.106 4.560 4.660 0.011 0.000 0.299 73 W C 1.827 178.242 176.519 -0.173 0.000 1.215 73 W CA 1.668 58.926 57.345 -0.144 0.000 1.244 73 W CB -0.572 28.774 29.460 -0.190 0.000 1.140 73 W HN 0.358 nan 8.180 nan 0.000 0.523 74 L N -0.083 120.930 121.223 -0.350 0.000 2.056 74 L HA -0.177 4.169 4.340 0.011 0.000 0.207 74 L C 2.401 179.043 176.870 -0.379 0.000 1.078 74 L CA 1.701 56.184 54.840 -0.594 0.000 0.749 74 L CB -0.831 40.870 42.059 -0.598 0.000 0.901 74 L HN -0.098 nan 8.230 nan 0.000 0.433 75 E N -1.033 119.034 120.200 -0.222 0.000 2.140 75 E HA -0.021 4.335 4.350 0.011 0.000 0.191 75 E C 0.237 176.765 176.600 -0.119 0.000 0.973 75 E CA 0.387 56.706 56.400 -0.135 0.000 0.829 75 E CB 0.415 30.067 29.700 -0.081 0.000 0.781 75 E HN 0.497 nan 8.360 nan 0.000 0.466 76 C N -0.776 118.457 119.300 -0.111 0.000 3.170 76 C HA 0.519 4.986 4.460 0.011 0.000 0.319 76 C C -0.412 174.566 174.990 -0.021 0.000 1.260 76 C CA -1.482 57.496 59.018 -0.067 0.000 1.374 76 C CB 0.793 28.513 27.740 -0.033 0.000 1.739 76 C HN 0.239 nan 8.230 nan 0.000 0.479 77 D N 0.717 121.118 120.400 0.002 0.000 2.515 77 D HA 0.201 4.848 4.640 0.011 0.000 0.230 77 D C -0.451 175.917 176.300 0.113 0.000 1.181 77 D CA 0.702 54.742 54.000 0.068 0.000 0.875 77 D CB 0.484 41.317 40.800 0.056 0.000 1.213 77 D HN 0.613 nan 8.370 nan 0.000 0.478 78 L N 5.387 126.714 121.223 0.173 0.000 2.277 78 L HA 0.264 4.610 4.340 0.011 0.000 0.284 78 L C -1.247 175.682 176.870 0.097 0.000 1.028 78 L CA -1.678 53.251 54.840 0.148 0.000 0.835 78 L CB 1.581 43.752 42.059 0.185 0.000 1.215 78 L HN 0.511 nan 8.230 nan 0.000 0.425 79 P HA -0.270 nan 4.420 nan 0.000 0.222 79 P C 0.731 178.060 177.300 0.048 0.000 1.155 79 P CA 1.605 64.736 63.100 0.053 0.000 0.890 79 P CB 0.305 32.030 31.700 0.042 0.000 0.790 80 E N -0.322 119.905 120.200 0.044 0.000 2.347 80 E HA 0.140 4.497 4.350 0.011 0.000 0.196 80 E C 1.264 177.873 176.600 0.015 0.000 1.008 80 E CA 0.459 56.874 56.400 0.025 0.000 0.852 80 E CB -0.729 28.977 29.700 0.010 0.000 0.783 80 E HN 0.320 nan 8.360 nan 0.000 0.505 81 A N 1.246 124.084 122.820 0.030 0.000 2.366 81 A HA 0.142 4.468 4.320 0.011 0.000 0.250 81 A C 0.024 177.653 177.584 0.074 0.000 1.099 81 A CA -0.191 51.861 52.037 0.024 0.000 0.794 81 A CB 0.310 19.354 19.000 0.073 0.000 1.056 81 A HN -0.034 nan 8.150 nan 0.000 0.499 82 D N -0.536 119.934 120.400 0.118 0.000 2.340 82 D HA 0.485 5.132 4.640 0.011 0.000 0.243 82 D C -0.732 175.670 176.300 0.171 0.000 0.988 82 D CA -0.041 54.048 54.000 0.148 0.000 0.959 82 D CB 1.433 42.357 40.800 0.208 0.000 1.226 82 D HN 0.401 nan 8.370 nan 0.000 0.509 83 T N 0.570 115.206 114.554 0.138 0.000 2.744 83 T HA 0.473 4.829 4.350 0.011 0.000 0.291 83 T C 0.256 175.035 174.700 0.131 0.000 0.957 83 T CA -0.574 61.616 62.100 0.150 0.000 1.002 83 T CB 0.649 69.586 68.868 0.115 0.000 0.919 83 T HN 0.274 nan 8.240 nan 0.000 0.468 84 V N 1.289 121.313 119.914 0.183 0.000 3.074 84 V HA 0.804 4.931 4.120 0.011 0.000 0.314 84 V C -0.226 175.988 176.094 0.200 0.000 1.117 84 V CA -1.065 61.311 62.300 0.126 0.000 1.014 84 V CB 1.656 33.551 31.823 0.120 0.000 1.057 84 V HN 0.523 nan 8.190 nan 0.000 0.438 85 V N 1.984 121.999 119.914 0.168 0.000 2.649 85 V HA 0.538 4.665 4.120 0.011 0.000 0.292 85 V C 0.021 176.200 176.094 0.142 0.000 1.055 85 V CA -0.105 62.293 62.300 0.163 0.000 1.023 85 V CB 1.350 33.241 31.823 0.113 0.000 0.992 85 V HN 0.765 nan 8.190 nan 0.000 0.480 86 V N 6.197 126.131 119.914 0.032 0.000 2.623 86 V HA 0.424 4.551 4.120 0.011 0.000 0.304 86 V C -2.419 173.586 176.094 -0.147 0.000 1.054 86 V CA -1.592 60.595 62.300 -0.187 0.000 0.882 86 V CB 2.478 33.880 31.823 -0.701 0.000 1.002 86 V HN 0.759 nan 8.190 nan 0.000 0.424 87 P HA 0.496 nan 4.420 nan 0.000 0.277 87 P C -0.721 176.515 177.300 -0.107 0.000 1.240 87 P CA -0.069 62.923 63.100 -0.180 0.000 0.798 87 P CB 1.388 32.995 31.700 -0.155 0.000 0.979 88 S N 0.492 116.142 115.700 -0.083 0.000 2.627 88 S HA 0.398 4.874 4.470 0.011 0.000 0.268 88 S C -1.433 173.113 174.600 -0.090 0.000 1.130 88 S CA -1.024 57.115 58.200 -0.102 0.000 0.819 88 S CB 0.402 63.512 63.200 -0.150 0.000 1.100 88 S HN 0.343 nan 8.310 nan 0.000 0.465 89 N N 1.090 119.668 118.700 -0.204 0.000 2.446 89 N HA 0.405 5.151 4.740 0.011 0.000 0.265 89 N C 0.461 175.804 175.510 -0.279 0.000 0.975 89 N CA -0.812 52.093 53.050 -0.241 0.000 0.928 89 N CB 0.772 39.090 38.487 -0.280 0.000 1.160 89 N HN 0.833 nan 8.380 nan 0.000 0.495 90 W N 2.880 124.049 121.300 -0.219 0.000 2.364 90 W HA -0.129 4.538 4.660 0.011 0.000 0.281 90 W C 0.977 177.484 176.519 -0.020 0.000 1.219 90 W CA 0.882 58.119 57.345 -0.180 0.000 1.220 90 W CB -0.357 28.988 29.460 -0.192 0.000 1.127 90 W HN 0.494 nan 8.180 nan 0.000 0.556 91 Q N 0.536 120.306 119.800 -0.050 0.000 2.226 91 Q HA -0.122 4.225 4.340 0.011 0.000 0.204 91 Q C 2.137 178.078 176.000 -0.098 0.000 0.975 91 Q CA 1.867 57.643 55.803 -0.044 0.000 0.866 91 Q CB -0.586 28.014 28.738 -0.230 0.000 0.915 91 Q HN 0.334 nan 8.270 nan 0.000 0.440 92 M N -1.109 118.402 119.600 -0.148 0.000 2.562 92 M HA -0.027 4.459 4.480 0.011 0.000 0.257 92 M C 0.639 176.985 176.300 0.077 0.000 1.099 92 M CA 1.276 56.511 55.300 -0.108 0.000 1.099 92 M CB -0.411 32.107 32.600 -0.137 0.000 1.427 92 M HN 0.370 nan 8.290 nan 0.000 0.489 93 H N -0.805 118.273 119.070 0.013 0.000 2.594 93 H HA 0.285 4.848 4.556 0.011 0.000 0.279 93 H C 1.288 176.450 175.328 -0.276 0.000 1.042 93 H CA 0.124 56.134 56.048 -0.062 0.000 1.177 93 H CB 0.542 30.362 29.762 0.097 0.000 1.524 93 H HN 0.556 nan 8.280 nan 0.000 0.537 94 G N 0.586 109.356 108.800 -0.051 0.000 2.176 94 G HA2 -0.388 3.579 3.960 0.011 0.000 0.253 94 G HA3 -0.388 3.579 3.960 0.011 0.000 0.253 94 G C 0.551 175.290 174.900 -0.268 0.000 0.979 94 G CA 0.416 45.415 45.100 -0.170 0.000 0.641 94 G HN 0.488 nan 8.290 nan 0.000 0.530 95 Y N 1.842 122.169 120.300 0.045 0.000 2.207 95 Y HA 0.163 4.719 4.550 0.011 0.000 0.287 95 Y C 1.835 177.519 175.900 -0.360 0.000 1.156 95 Y CA 1.811 59.818 58.100 -0.156 0.000 1.182 95 Y CB 0.050 38.539 38.460 0.048 0.000 0.979 95 Y HN 0.691 nan 8.280 nan 0.000 0.521 96 D N -2.120 118.382 120.400 0.171 0.000 2.768 96 D HA 0.498 5.145 4.640 0.011 0.000 0.327 96 D C -1.320 175.075 176.300 0.158 0.000 1.302 96 D CA -0.781 53.305 54.000 0.144 0.000 0.897 96 D CB 0.747 41.763 40.800 0.360 0.000 1.420 96 D HN -0.045 nan 8.370 nan 0.000 0.494 97 A N 0.007 122.925 122.820 0.163 0.000 2.301 97 A HA 0.704 5.030 4.320 0.011 0.000 0.312 97 A C -2.368 175.247 177.584 0.051 0.000 1.182 97 A CA -1.278 50.824 52.037 0.108 0.000 0.826 97 A CB 0.230 19.357 19.000 0.211 0.000 1.134 97 A HN 0.523 nan 8.150 nan 0.000 0.501 98 P HA 0.387 nan 4.420 nan 0.000 0.271 98 P C -0.850 176.624 177.300 0.290 0.000 1.218 98 P CA 0.232 63.254 63.100 -0.131 0.000 0.780 98 P CB 0.662 31.920 31.700 -0.736 0.000 0.901 99 I N 2.117 122.975 120.570 0.481 0.000 2.498 99 I HA 0.273 4.450 4.170 0.011 0.000 0.290 99 I C -0.682 175.597 176.117 0.270 0.000 1.032 99 I CA -0.950 60.604 61.300 0.424 0.000 1.073 99 I CB 1.969 40.141 38.000 0.287 0.000 1.251 99 I HN 0.278 nan 8.210 nan 0.000 0.426 100 Y N 5.725 125.926 120.300 -0.165 0.000 2.712 100 Y HA 0.493 5.049 4.550 0.011 0.000 0.328 100 Y C -0.373 175.370 175.900 -0.262 0.000 0.995 100 Y CA -0.416 57.323 58.100 -0.601 0.000 1.283 100 Y CB 1.103 38.676 38.460 -1.478 0.000 1.092 100 Y HN 0.551 nan 8.280 nan 0.000 0.519 101 T N 4.555 118.613 114.554 -0.827 0.000 2.863 101 T HA 0.262 4.618 4.350 0.011 0.000 0.285 101 T C 0.250 174.507 174.700 -0.739 0.000 1.009 101 T CA -0.520 61.133 62.100 -0.744 0.000 0.989 101 T CB 1.122 69.775 68.868 -0.358 0.000 1.004 101 T HN 0.758 nan 8.240 nan 0.000 0.455 102 N N 2.883 121.206 118.700 -0.628 0.000 2.288 102 N HA 0.054 4.801 4.740 0.011 0.000 0.199 102 N C 1.570 176.850 175.510 -0.382 0.000 1.043 102 N CA 1.548 54.386 53.050 -0.353 0.000 0.947 102 N CB -0.665 37.671 38.487 -0.252 0.000 1.140 102 N HN 0.378 nan 8.380 nan 0.000 0.490 103 V N 0.333 119.944 119.914 -0.507 0.000 2.341 103 V HA 0.085 4.212 4.120 0.011 0.000 0.240 103 V C 0.413 176.203 176.094 -0.506 0.000 1.035 103 V CA 1.060 62.967 62.300 -0.655 0.000 1.033 103 V CB -0.957 30.393 31.823 -0.789 0.000 0.678 103 V HN 0.372 nan 8.190 nan 0.000 0.464 104 T N 1.202 115.526 114.554 -0.383 0.000 2.822 104 T HA 0.064 4.420 4.350 0.011 0.000 0.288 104 T C -0.295 174.267 174.700 -0.230 0.000 0.991 104 T CA 0.348 62.294 62.100 -0.256 0.000 1.176 104 T CB -0.419 68.332 68.868 -0.194 0.000 0.951 104 T HN 0.186 nan 8.240 nan 0.000 0.526 105 Y N 4.786 124.987 120.300 -0.165 0.000 2.652 105 Y HA 0.078 4.635 4.550 0.011 0.000 0.344 105 Y C -0.804 174.962 175.900 -0.223 0.000 1.254 105 Y CA -1.591 56.398 58.100 -0.185 0.000 1.480 105 Y CB 0.427 38.766 38.460 -0.201 0.000 1.345 105 Y HN 0.515 nan 8.280 nan 0.000 0.617 106 P HA 0.017 nan 4.420 nan 0.000 0.245 106 P C -0.449 176.616 177.300 -0.391 0.000 1.212 106 P CA 1.008 63.988 63.100 -0.201 0.000 0.774 106 P CB -0.074 31.516 31.700 -0.184 0.000 0.999 107 I N -5.502 114.825 120.570 -0.405 0.000 3.108 107 I HA 0.513 4.690 4.170 0.011 0.000 0.312 107 I C -0.492 175.483 176.117 -0.237 0.000 1.095 107 I CA -1.254 59.770 61.300 -0.459 0.000 1.000 107 I CB 1.517 39.069 38.000 -0.746 0.000 1.229 107 I HN -0.475 nan 8.210 nan 0.000 0.454 108 T N 2.383 116.839 114.554 -0.164 0.000 2.928 108 T HA 0.177 4.534 4.350 0.011 0.000 0.305 108 T C 0.117 174.792 174.700 -0.040 0.000 1.035 108 T CA -0.235 61.825 62.100 -0.066 0.000 1.145 108 T CB 0.744 69.599 68.868 -0.022 0.000 0.963 108 T HN 0.376 nan 8.240 nan 0.000 0.545 109 V N 4.720 124.635 119.914 0.002 0.000 2.370 109 V HA 0.251 4.377 4.120 0.011 0.000 0.257 109 V C 0.631 176.794 176.094 0.114 0.000 1.064 109 V CA -0.132 62.201 62.300 0.055 0.000 0.975 109 V CB -0.150 31.700 31.823 0.044 0.000 1.067 109 V HN 0.938 nan 8.190 nan 0.000 0.485 110 N N 5.996 124.836 118.700 0.233 0.000 2.725 110 N HA 0.214 4.960 4.740 0.011 0.000 0.225 110 N C -2.919 172.713 175.510 0.202 0.000 1.465 110 N CA -0.936 52.237 53.050 0.206 0.000 0.830 110 N CB 1.392 40.022 38.487 0.237 0.000 1.460 110 N HN 0.300 nan 8.380 nan 0.000 0.538 111 P HA 0.195 nan 4.420 nan 0.000 0.267 111 P C -2.291 174.764 177.300 -0.408 0.000 1.200 111 P CA -0.716 61.962 63.100 -0.703 0.000 0.772 111 P CB 0.631 31.691 31.700 -1.067 0.000 0.855 112 P HA 0.234 nan 4.420 nan 0.000 0.259 112 P C -0.430 176.700 177.300 -0.283 0.000 1.530 112 P CA -0.257 62.567 63.100 -0.460 0.000 1.022 112 P CB -0.120 31.294 31.700 -0.477 0.000 1.514 113 F N 0.982 121.037 119.950 0.174 0.000 2.389 113 F HA 0.287 4.821 4.527 0.011 0.000 0.337 113 F C 1.388 177.355 175.800 0.280 0.000 1.112 113 F CA -0.875 57.241 58.000 0.193 0.000 1.192 113 F CB 0.840 39.901 39.000 0.103 0.000 1.185 113 F HN -0.209 nan 8.300 nan 0.000 0.552 114 V N -0.310 119.870 119.914 0.443 0.000 3.103 114 V HA 0.709 4.835 4.120 0.011 0.000 0.318 114 V C -2.669 173.584 176.094 0.266 0.000 1.114 114 V CA -2.813 59.680 62.300 0.321 0.000 1.020 114 V CB 1.305 33.383 31.823 0.424 0.000 1.085 114 V HN 0.493 nan 8.190 nan 0.000 0.446 115 P HA 0.201 nan 4.420 nan 0.000 0.269 115 P C 1.049 178.492 177.300 0.239 0.000 1.209 115 P CA 0.486 63.681 63.100 0.159 0.000 0.776 115 P CB 0.728 32.486 31.700 0.096 0.000 0.876 116 T N -1.431 113.235 114.554 0.186 0.000 2.788 116 T HA -0.096 4.261 4.350 0.011 0.000 0.268 116 T C 0.685 175.500 174.700 0.192 0.000 1.044 116 T CA 0.961 63.175 62.100 0.190 0.000 1.139 116 T CB -0.469 68.477 68.868 0.130 0.000 0.867 116 T HN 0.234 nan 8.240 nan 0.000 0.454 117 E N 3.255 123.568 120.200 0.187 0.000 1.932 117 E HA 0.323 4.680 4.350 0.011 0.000 0.275 117 E C -0.715 176.046 176.600 0.269 0.000 1.159 117 E CA -0.049 56.469 56.400 0.198 0.000 0.905 117 E CB 0.288 30.109 29.700 0.202 0.000 1.059 117 E HN 0.522 nan 8.360 nan 0.000 0.400 118 N N 3.900 122.733 118.700 0.222 0.000 2.549 118 N HA 0.261 5.008 4.740 0.011 0.000 0.281 118 N C -2.934 172.607 175.510 0.050 0.000 1.084 118 N CA -2.268 50.947 53.050 0.274 0.000 0.862 118 N CB 1.444 40.113 38.487 0.303 0.000 1.333 118 N HN -0.081 nan 8.380 nan 0.000 0.523 119 P HA 0.052 nan 4.420 nan 0.000 0.258 119 P C -0.848 176.342 177.300 -0.183 0.000 1.172 119 P CA 0.401 63.412 63.100 -0.149 0.000 0.762 119 P CB 0.274 32.181 31.700 0.344 0.000 0.764 120 T N 2.726 116.900 114.554 -0.634 0.000 2.809 120 T HA 0.549 4.905 4.350 0.011 0.000 0.284 120 T C 0.327 174.463 174.700 -0.939 0.000 0.992 120 T CA -0.592 61.191 62.100 -0.528 0.000 0.957 120 T CB 1.586 70.218 68.868 -0.392 0.000 0.942 120 T HN 0.336 nan 8.240 nan 0.000 0.439 121 G N 1.229 109.551 108.800 -0.797 0.000 2.377 121 G HA2 0.465 4.432 3.960 0.011 0.000 0.316 121 G HA3 0.465 4.432 3.960 0.011 0.000 0.316 121 G C -0.192 174.497 174.900 -0.351 0.000 1.115 121 G CA -0.349 44.222 45.100 -0.883 0.000 0.952 121 G HN 0.869 nan 8.290 nan 0.000 0.441 122 C N 3.360 122.174 119.300 -0.809 0.000 2.225 122 C HA 0.489 4.956 4.460 0.011 0.000 0.328 122 C C -0.553 174.338 174.990 -0.166 0.000 1.187 122 C CA -0.845 57.819 59.018 -0.590 0.000 1.665 122 C CB -1.601 25.406 27.740 -1.221 0.000 2.253 122 C HN 0.630 nan 8.230 nan 0.000 0.497 123 Y N 1.964 122.517 120.300 0.423 0.000 2.446 123 Y HA 0.649 5.206 4.550 0.011 0.000 0.338 123 Y C 0.662 177.046 175.900 0.806 0.000 1.055 123 Y CA -0.374 58.115 58.100 0.648 0.000 1.101 123 Y CB 1.570 40.397 38.460 0.611 0.000 1.221 123 Y HN 0.658 nan 8.280 nan 0.000 0.460 124 S N 2.279 118.502 115.700 0.872 0.000 2.537 124 S HA 0.786 5.262 4.470 0.011 0.000 0.270 124 S C -2.013 172.661 174.600 0.122 0.000 1.142 124 S CA -0.773 57.702 58.200 0.458 0.000 0.870 124 S CB 2.002 65.368 63.200 0.277 0.000 1.112 124 S HN 0.578 nan 8.310 nan 0.000 0.466 125 L N 1.596 122.665 121.223 -0.257 0.000 2.476 125 L HA 0.659 5.006 4.340 0.011 0.000 0.269 125 L C -0.875 175.937 176.870 -0.097 0.000 0.965 125 L CA 0.160 54.671 54.840 -0.549 0.000 0.845 125 L CB 2.213 43.368 42.059 -1.507 0.000 1.259 125 L HN 0.933 nan 8.230 nan 0.000 0.403 126 T N 6.022 120.559 114.554 -0.029 0.000 2.767 126 T HA 0.729 5.086 4.350 0.011 0.000 0.288 126 T C -0.702 174.071 174.700 0.121 0.000 0.963 126 T CA 0.033 62.161 62.100 0.047 0.000 1.019 126 T CB 0.188 69.044 68.868 -0.020 0.000 0.923 126 T HN 0.458 nan 8.240 nan 0.000 0.468 127 F N 0.924 120.796 119.950 -0.130 0.000 2.741 127 F HA 0.754 5.288 4.527 0.011 0.000 0.313 127 F C -1.302 174.444 175.800 -0.090 0.000 1.153 127 F CA -1.475 56.454 58.000 -0.120 0.000 0.931 127 F CB 1.299 40.212 39.000 -0.147 0.000 1.335 127 F HN 0.274 nan 8.300 nan 0.000 0.460 128 N N 0.092 118.658 118.700 -0.224 0.000 2.381 128 N HA 0.731 5.477 4.740 0.011 0.000 0.294 128 N C -1.434 173.972 175.510 -0.174 0.000 1.216 128 N CA -0.755 52.126 53.050 -0.282 0.000 0.803 128 N CB 2.324 40.712 38.487 -0.166 0.000 1.372 128 N HN 0.803 nan 8.380 nan 0.000 0.500 129 V N -2.077 117.715 119.914 -0.203 0.000 2.876 129 V HA 0.560 4.687 4.120 0.011 0.000 0.312 129 V C -0.556 175.362 176.094 -0.294 0.000 1.085 129 V CA -1.029 61.134 62.300 -0.228 0.000 0.945 129 V CB 1.845 33.630 31.823 -0.063 0.000 1.017 129 V HN 0.709 nan 8.190 nan 0.000 0.428 130 D N 2.471 122.547 120.400 -0.540 0.000 2.506 130 D HA -0.075 4.572 4.640 0.011 0.000 0.234 130 D C 1.000 177.182 176.300 -0.196 0.000 1.143 130 D CA 1.121 54.867 54.000 -0.424 0.000 0.871 130 D CB 1.641 42.051 40.800 -0.650 0.000 1.190 130 D HN 0.991 nan 8.370 nan 0.000 0.459 131 E N 2.240 122.385 120.200 -0.092 0.000 2.085 131 E HA -0.250 4.107 4.350 0.011 0.000 0.194 131 E C 1.808 178.444 176.600 0.059 0.000 0.994 131 E CA 2.124 58.518 56.400 -0.011 0.000 0.801 131 E CB -0.278 29.417 29.700 -0.008 0.000 0.743 131 E HN 0.510 nan 8.360 nan 0.000 0.453 132 S N -0.580 115.159 115.700 0.066 0.000 2.423 132 S HA -0.215 4.261 4.470 0.011 0.000 0.238 132 S C 1.691 176.419 174.600 0.213 0.000 1.028 132 S CA 1.260 59.536 58.200 0.127 0.000 1.000 132 S CB -0.814 62.462 63.200 0.128 0.000 0.797 132 S HN 0.514 nan 8.310 nan 0.000 0.487 133 W N 1.619 122.813 121.300 -0.176 0.000 2.388 133 W HA 0.246 4.913 4.660 0.011 0.000 0.294 133 W C 2.318 178.852 176.519 0.024 0.000 1.212 133 W CA 0.042 57.243 57.345 -0.240 0.000 1.271 133 W CB -0.979 28.399 29.460 -0.137 0.000 1.126 133 W HN 0.305 nan 8.180 nan 0.000 0.535 134 L N -0.331 121.065 121.223 0.288 0.000 2.093 134 L HA -0.234 4.113 4.340 0.011 0.000 0.208 134 L C 2.454 179.412 176.870 0.146 0.000 1.085 134 L CA 1.300 56.256 54.840 0.192 0.000 0.755 134 L CB -1.047 41.082 42.059 0.116 0.000 0.904 134 L HN 0.055 nan 8.230 nan 0.000 0.435 135 Q N -0.380 119.496 119.800 0.127 0.000 2.030 135 Q HA -0.096 4.251 4.340 0.011 0.000 0.204 135 Q C 0.248 176.305 176.000 0.094 0.000 0.986 135 Q CA 1.164 57.023 55.803 0.094 0.000 0.843 135 Q CB 0.285 29.069 28.738 0.076 0.000 0.904 135 Q HN 0.421 nan 8.270 nan 0.000 0.420 136 E N -1.836 118.438 120.200 0.123 0.000 2.446 136 E HA 0.463 4.820 4.350 0.011 0.000 0.276 136 E C -0.305 176.405 176.600 0.183 0.000 0.969 136 E CA 0.103 56.572 56.400 0.115 0.000 0.800 136 E CB 1.860 31.616 29.700 0.093 0.000 1.341 136 E HN 0.309 nan 8.360 nan 0.000 0.460 137 G N 1.145 109.990 108.800 0.076 0.000 2.855 137 G HA2 -0.265 3.702 3.960 0.011 0.000 0.352 137 G HA3 -0.265 3.702 3.960 0.011 0.000 0.352 137 G C -0.500 174.289 174.900 -0.186 0.000 1.415 137 G CA 0.001 45.047 45.100 -0.090 0.000 0.871 137 G HN 0.484 nan 8.290 nan 0.000 0.543 138 Q N -0.385 119.140 119.800 -0.458 0.000 2.293 138 Q HA 0.632 4.979 4.340 0.011 0.000 0.261 138 Q C -0.758 174.978 176.000 -0.439 0.000 0.960 138 Q CA -0.422 55.192 55.803 -0.315 0.000 0.882 138 Q CB 1.239 29.852 28.738 -0.209 0.000 1.275 138 Q HN 0.609 nan 8.270 nan 0.000 0.445 139 T N 5.302 119.785 114.554 -0.118 0.000 2.791 139 T HA 0.479 4.835 4.350 0.011 0.000 0.288 139 T C -0.661 174.080 174.700 0.068 0.000 0.999 139 T CA -0.701 61.401 62.100 0.003 0.000 0.952 139 T CB 0.572 69.608 68.868 0.281 0.000 0.938 139 T HN 0.650 nan 8.240 nan 0.000 0.444 140 R N 2.850 123.370 120.500 0.035 0.000 2.854 140 R HA 0.774 5.120 4.340 0.011 0.000 0.271 140 R C -1.144 175.203 176.300 0.079 0.000 0.996 140 R CA -1.006 55.138 56.100 0.073 0.000 0.961 140 R CB 1.666 31.989 30.300 0.038 0.000 1.182 140 R HN 0.566 nan 8.270 nan 0.000 0.479 141 I N 2.458 123.086 120.570 0.097 0.000 2.525 141 I HA 0.460 4.636 4.170 0.011 0.000 0.301 141 I C -1.060 175.065 176.117 0.014 0.000 0.992 141 I CA -1.325 59.982 61.300 0.012 0.000 1.162 141 I CB 1.315 39.304 38.000 -0.018 0.000 1.332 141 I HN 0.625 nan 8.210 nan 0.000 0.458 142 I N 6.959 127.442 120.570 -0.145 0.000 2.478 142 I HA 0.284 4.461 4.170 0.011 0.000 0.287 142 I C -1.335 174.621 176.117 -0.268 0.000 1.042 142 I CA -0.332 60.908 61.300 -0.099 0.000 1.067 142 I CB 1.689 39.647 38.000 -0.071 0.000 1.233 142 I HN 0.379 nan 8.210 nan 0.000 0.431 143 F N 4.575 124.510 119.950 -0.027 0.000 2.332 143 F HA 0.276 4.810 4.527 0.011 0.000 0.368 143 F C 1.329 177.007 175.800 -0.202 0.000 1.110 143 F CA -0.392 57.520 58.000 -0.147 0.000 1.087 143 F CB 0.970 39.848 39.000 -0.203 0.000 1.235 143 F HN 0.477 nan 8.300 nan 0.000 0.470 144 D N 2.424 122.737 120.400 -0.145 0.000 2.178 144 D HA 0.019 4.665 4.640 0.011 0.000 0.201 144 D C 0.987 177.107 176.300 -0.300 0.000 0.980 144 D CA 1.037 54.901 54.000 -0.227 0.000 0.842 144 D CB 0.304 40.916 40.800 -0.314 0.000 0.948 144 D HN 0.626 nan 8.370 nan 0.000 0.472 145 G N -0.596 107.940 108.800 -0.439 0.000 2.635 145 G HA2 0.429 4.395 3.960 0.011 0.000 0.295 145 G HA3 0.429 4.395 3.960 0.011 0.000 0.295 145 G C -1.551 172.958 174.900 -0.652 0.000 1.359 145 G CA -0.459 44.244 45.100 -0.661 0.000 1.232 145 G HN -0.052 nan 8.290 nan 0.000 0.597 146 V N 2.672 122.462 119.914 -0.205 0.000 2.482 146 V HA 0.485 4.612 4.120 0.011 0.000 0.295 146 V C -0.742 175.431 176.094 0.132 0.000 1.026 146 V CA -1.172 61.056 62.300 -0.121 0.000 0.856 146 V CB 1.789 33.314 31.823 -0.496 0.000 1.001 146 V HN 0.690 nan 8.190 nan 0.000 0.424 147 N N 2.615 121.409 118.700 0.157 0.000 2.444 147 N HA 0.312 5.059 4.740 0.011 0.000 0.262 147 N C 0.692 176.119 175.510 -0.139 0.000 0.974 147 N CA 0.148 53.185 53.050 -0.021 0.000 0.933 147 N CB 2.084 40.411 38.487 -0.267 0.000 1.137 147 N HN 0.683 nan 8.380 nan 0.000 0.498 148 S N 1.764 117.423 115.700 -0.070 0.000 2.526 148 S HA 0.562 5.039 4.470 0.011 0.000 0.220 148 S C 0.319 174.970 174.600 0.085 0.000 1.017 148 S CA -0.086 58.129 58.200 0.025 0.000 0.930 148 S CB 0.419 63.653 63.200 0.057 0.000 0.856 148 S HN 0.621 nan 8.310 nan 0.000 0.497 149 A N 0.953 123.833 122.820 0.100 0.000 2.604 149 A HA 0.766 5.092 4.320 0.011 0.000 0.295 149 A C -1.250 176.422 177.584 0.147 0.000 1.067 149 A CA -1.000 51.071 52.037 0.057 0.000 0.683 149 A CB 0.898 19.968 19.000 0.116 0.000 1.281 149 A HN 1.036 nan 8.150 nan 0.000 0.407 150 F N -0.310 119.456 119.950 -0.307 0.000 2.693 150 F HA 0.756 5.289 4.527 0.011 0.000 0.309 150 F C -1.191 174.518 175.800 -0.152 0.000 1.129 150 F CA -0.816 57.095 58.000 -0.147 0.000 0.948 150 F CB 1.231 40.117 39.000 -0.190 0.000 1.315 150 F HN 0.601 nan 8.300 nan 0.000 0.447 151 H N 2.191 121.408 119.070 0.245 0.000 2.469 151 H HA 0.675 5.238 4.556 0.011 0.000 0.342 151 H C -1.417 173.862 175.328 -0.081 0.000 1.115 151 H CA -0.703 55.363 56.048 0.030 0.000 1.204 151 H CB 2.380 32.182 29.762 0.067 0.000 1.492 151 H HN 0.806 nan 8.280 nan 0.000 0.499 152 L N 3.606 124.609 121.223 -0.366 0.000 2.362 152 L HA 0.430 4.777 4.340 0.011 0.000 0.275 152 L C -1.590 174.921 176.870 -0.598 0.000 0.998 152 L CA -0.487 54.165 54.840 -0.313 0.000 0.820 152 L CB 1.336 43.138 42.059 -0.429 0.000 1.270 152 L HN 0.499 nan 8.230 nan 0.000 0.415 153 W N 4.590 125.850 121.300 -0.066 0.000 2.819 153 W HA 0.571 5.238 4.660 0.011 0.000 0.337 153 W C -1.182 175.281 176.519 -0.094 0.000 1.077 153 W CA -0.850 56.444 57.345 -0.085 0.000 1.226 153 W CB 2.028 31.485 29.460 -0.006 0.000 1.419 153 W HN 0.609 nan 8.180 nan 0.000 0.502 154 C N 5.268 124.656 119.300 0.147 0.000 2.381 154 C HA 0.307 4.773 4.460 0.011 0.000 0.328 154 C C 0.217 175.344 174.990 0.229 0.000 1.190 154 C CA -0.337 58.771 59.018 0.150 0.000 1.369 154 C CB -0.729 27.047 27.740 0.060 0.000 2.029 154 C HN 0.803 nan 8.230 nan 0.000 0.448 155 N N 3.870 122.659 118.700 0.149 0.000 2.740 155 N HA -0.180 4.566 4.740 0.011 0.000 0.248 155 N C 0.970 176.545 175.510 0.109 0.000 1.062 155 N CA 2.002 55.111 53.050 0.098 0.000 0.704 155 N CB -1.344 37.209 38.487 0.109 0.000 0.968 155 N HN 1.815 nan 8.380 nan 0.000 0.547 156 G N -1.002 107.853 108.800 0.092 0.000 2.284 156 G HA2 -0.402 3.565 3.960 0.011 0.000 0.247 156 G HA3 -0.402 3.565 3.960 0.011 0.000 0.247 156 G C 0.099 175.162 174.900 0.272 0.000 1.012 156 G CA 0.580 45.727 45.100 0.079 0.000 0.618 156 G HN 0.741 nan 8.290 nan 0.000 0.521 157 R N -0.280 120.440 120.500 0.366 0.000 2.316 157 R HA 0.463 4.810 4.340 0.011 0.000 0.314 157 R C 0.050 176.690 176.300 0.567 0.000 1.069 157 R CA -0.613 55.795 56.100 0.514 0.000 0.959 157 R CB 0.299 30.865 30.300 0.444 0.000 0.987 157 R HN 0.314 nan 8.270 nan 0.000 0.446 158 W N 4.734 126.274 121.300 0.400 0.000 2.381 158 W HA 0.124 4.791 4.660 0.011 0.000 0.321 158 W C 0.039 176.472 176.519 -0.144 0.000 1.407 158 W CA -0.301 56.960 57.345 -0.139 0.000 1.274 158 W CB 0.614 29.977 29.460 -0.161 0.000 1.310 158 W HN 0.482 nan 8.180 nan 0.000 0.551 159 V N 6.015 125.180 119.914 -1.249 0.000 2.492 159 V HA 0.433 4.559 4.120 0.011 0.000 0.241 159 V C 1.242 176.350 176.094 -1.644 0.000 1.041 159 V CA 1.417 62.928 62.300 -1.313 0.000 1.057 159 V CB -0.680 30.433 31.823 -1.183 0.000 0.711 159 V HN 0.826 nan 8.190 nan 0.000 0.468 160 G N -2.049 105.524 108.800 -2.044 0.000 2.321 160 G HA2 0.407 4.374 3.960 0.011 0.000 0.296 160 G HA3 0.407 4.374 3.960 0.011 0.000 0.296 160 G C -2.405 172.068 174.900 -0.712 0.000 1.287 160 G CA -0.341 43.913 45.100 -1.410 0.000 0.846 160 G HN -0.057 nan 8.290 nan 0.000 0.508 161 Y N -0.299 119.755 120.300 -0.410 0.000 2.553 161 Y HA 0.734 5.290 4.550 0.011 0.000 0.347 161 Y C 0.079 175.764 175.900 -0.359 0.000 1.019 161 Y CA -0.088 57.738 58.100 -0.456 0.000 1.032 161 Y CB 2.399 40.758 38.460 -0.169 0.000 1.284 161 Y HN 1.234 nan 8.280 nan 0.000 0.466 162 G N 3.785 111.720 108.800 -1.442 0.000 2.733 162 G HA2 0.562 4.529 3.960 0.011 0.000 0.297 162 G HA3 0.562 4.529 3.960 0.011 0.000 0.297 162 G C -2.134 172.312 174.900 -0.756 0.000 1.422 162 G CA -0.854 43.717 45.100 -0.882 0.000 0.942 162 G HN 0.583 nan 8.290 nan 0.000 0.510 163 Q N 0.038 119.634 119.800 -0.339 0.000 2.496 163 Q HA 0.608 4.955 4.340 0.011 0.000 0.286 163 Q C -1.373 174.623 176.000 -0.006 0.000 1.103 163 Q CA -0.849 54.880 55.803 -0.123 0.000 0.813 163 Q CB 2.823 31.531 28.738 -0.050 0.000 1.444 163 Q HN 0.647 nan 8.270 nan 0.000 0.443 164 D N -0.097 120.336 120.400 0.055 0.000 4.150 164 D HA -0.092 4.554 4.640 0.011 0.000 0.231 164 D C -0.462 175.893 176.300 0.092 0.000 1.129 164 D CA 0.421 54.468 54.000 0.077 0.000 1.005 164 D CB -0.648 40.182 40.800 0.050 0.000 0.691 164 D HN 0.546 nan 8.370 nan 0.000 0.320 165 S N 3.040 118.807 115.700 0.113 0.000 2.500 165 S HA -0.101 4.376 4.470 0.011 0.000 0.239 165 S C 1.579 176.302 174.600 0.205 0.000 0.989 165 S CA 0.640 58.934 58.200 0.157 0.000 0.951 165 S CB 0.217 63.478 63.200 0.102 0.000 0.759 165 S HN 0.478 nan 8.310 nan 0.000 0.523 166 R N 0.038 120.617 120.500 0.131 0.000 2.508 166 R HA 0.416 4.762 4.340 0.011 0.000 0.300 166 R C -0.332 176.019 176.300 0.084 0.000 0.970 166 R CA 0.062 56.237 56.100 0.125 0.000 1.102 166 R CB 0.185 30.567 30.300 0.137 0.000 1.246 166 R HN 0.333 nan 8.270 nan 0.000 0.539 167 L N 2.023 123.269 121.223 0.038 0.000 2.370 167 L HA 0.491 4.837 4.340 0.011 0.000 0.266 167 L C -2.357 174.486 176.870 -0.045 0.000 1.002 167 L CA -2.330 52.504 54.840 -0.009 0.000 0.818 167 L CB 2.685 44.732 42.059 -0.020 0.000 1.325 167 L HN -0.210 nan 8.230 nan 0.000 0.418 168 P HA 0.089 nan 4.420 nan 0.000 0.271 168 P C -0.897 176.364 177.300 -0.064 0.000 1.216 168 P CA -0.188 62.866 63.100 -0.077 0.000 0.776 168 P CB 1.028 32.651 31.700 -0.128 0.000 0.881 169 S N 1.941 117.663 115.700 0.037 0.000 2.456 169 S HA 0.315 4.791 4.470 0.011 0.000 0.316 169 S C -0.385 174.175 174.600 -0.068 0.000 1.089 169 S CA -0.556 57.645 58.200 0.001 0.000 1.101 169 S CB 0.569 63.978 63.200 0.348 0.000 0.995 169 S HN 0.371 nan 8.310 nan 0.000 0.468 170 E N 2.175 122.093 120.200 -0.471 0.000 2.238 170 E HA 0.596 4.953 4.350 0.011 0.000 0.267 170 E C -1.433 174.676 176.600 -0.817 0.000 0.887 170 E CA -0.609 55.560 56.400 -0.385 0.000 0.769 170 E CB 1.701 31.315 29.700 -0.143 0.000 1.187 170 E HN 0.414 nan 8.360 nan 0.000 0.416 171 F N 0.413 120.396 119.950 0.055 0.000 2.588 171 F HA 0.247 4.780 4.527 0.011 0.000 0.310 171 F C -0.103 175.701 175.800 0.007 0.000 1.082 171 F CA -1.148 56.851 58.000 -0.001 0.000 0.929 171 F CB 1.525 40.489 39.000 -0.060 0.000 1.254 171 F HN 0.269 nan 8.300 nan 0.000 0.455 172 D N 2.465 122.972 120.400 0.177 0.000 2.295 172 D HA 0.309 4.956 4.640 0.011 0.000 0.248 172 D C 0.118 176.538 176.300 0.199 0.000 1.154 172 D CA 0.121 54.210 54.000 0.148 0.000 0.857 172 D CB 1.183 42.061 40.800 0.129 0.000 1.117 172 D HN 0.601 nan 8.370 nan 0.000 0.468 173 L N 2.734 124.082 121.223 0.208 0.000 2.857 173 L HA 0.074 4.420 4.340 0.011 0.000 0.249 173 L C 2.072 179.173 176.870 0.385 0.000 1.172 173 L CA -0.220 54.798 54.840 0.297 0.000 0.980 173 L CB 0.172 42.367 42.059 0.226 0.000 1.299 173 L HN 0.248 nan 8.230 nan 0.000 0.535 174 S N 1.401 117.262 115.700 0.267 0.000 2.380 174 S HA -0.280 4.197 4.470 0.011 0.000 0.229 174 S C 2.087 176.800 174.600 0.189 0.000 1.043 174 S CA 1.883 60.203 58.200 0.200 0.000 1.038 174 S CB -0.106 63.163 63.200 0.116 0.000 0.872 174 S HN 0.584 nan 8.310 nan 0.000 0.456 175 A N -0.428 122.507 122.820 0.191 0.000 2.178 175 A HA 0.308 4.634 4.320 0.011 0.000 0.211 175 A C 1.370 178.874 177.584 -0.134 0.000 1.157 175 A CA 0.374 52.399 52.037 -0.021 0.000 0.780 175 A CB -0.348 18.533 19.000 -0.199 0.000 0.828 175 A HN 0.477 nan 8.150 nan 0.000 0.476 176 F N -0.328 119.668 119.950 0.077 0.000 2.717 176 F HA 0.348 4.882 4.527 0.011 0.000 0.295 176 F C 0.802 176.648 175.800 0.076 0.000 1.117 176 F CA -0.367 57.679 58.000 0.076 0.000 1.361 176 F CB -0.211 38.840 39.000 0.086 0.000 1.112 176 F HN -0.034 nan 8.300 nan 0.000 0.594 177 L N 1.906 123.304 121.223 0.292 0.000 2.464 177 L HA 0.325 4.672 4.340 0.011 0.000 0.264 177 L C 0.512 177.439 176.870 0.094 0.000 1.199 177 L CA -0.220 54.732 54.840 0.187 0.000 0.818 177 L CB 0.592 42.780 42.059 0.215 0.000 1.102 177 L HN 0.141 nan 8.230 nan 0.000 0.473 178 R N 1.341 121.854 120.500 0.021 0.000 2.781 178 R HA 0.688 5.035 4.340 0.011 0.000 0.269 178 R C -1.113 175.161 176.300 -0.043 0.000 1.025 178 R CA -0.899 55.198 56.100 -0.005 0.000 0.914 178 R CB 1.390 31.679 30.300 -0.018 0.000 1.236 178 R HN 0.537 nan 8.270 nan 0.000 0.465 179 A N 1.296 124.097 122.820 -0.032 0.000 2.573 179 A HA 0.358 4.684 4.320 0.011 0.000 0.250 179 A C 1.334 178.869 177.584 -0.082 0.000 1.049 179 A CA 1.383 53.393 52.037 -0.046 0.000 0.767 179 A CB -1.222 17.758 19.000 -0.032 0.000 0.965 179 A HN 1.409 nan 8.150 nan 0.000 0.514 180 G N 2.302 111.040 108.800 -0.104 0.000 2.601 180 G HA2 -0.298 3.668 3.960 0.011 0.000 0.306 180 G HA3 -0.298 3.668 3.960 0.011 0.000 0.306 180 G C 0.252 175.026 174.900 -0.209 0.000 1.172 180 G CA 0.582 45.601 45.100 -0.135 0.000 0.966 180 G HN 1.041 nan 8.290 nan 0.000 0.542 181 E N 2.527 122.614 120.200 -0.189 0.000 2.265 181 E HA 0.294 4.651 4.350 0.011 0.000 0.272 181 E C 0.043 176.458 176.600 -0.309 0.000 1.067 181 E CA 0.020 56.276 56.400 -0.240 0.000 0.900 181 E CB 0.033 29.642 29.700 -0.152 0.000 1.017 181 E HN 0.413 nan 8.360 nan 0.000 0.431 182 N N 3.157 121.523 118.700 -0.557 0.000 2.312 182 N HA 0.426 5.173 4.740 0.011 0.000 0.296 182 N C -0.805 174.502 175.510 -0.340 0.000 1.193 182 N CA -0.765 51.972 53.050 -0.521 0.000 0.773 182 N CB 2.209 40.256 38.487 -0.733 0.000 1.435 182 N HN 0.282 nan 8.380 nan 0.000 0.484 183 R N 1.418 121.888 120.500 -0.050 0.000 2.513 183 R HA 0.483 4.829 4.340 0.011 0.000 0.301 183 R C -1.440 174.959 176.300 0.166 0.000 0.968 183 R CA -0.491 55.652 56.100 0.072 0.000 0.872 183 R CB 0.917 31.200 30.300 -0.029 0.000 1.177 183 R HN 0.480 nan 8.270 nan 0.000 0.444 184 L N 3.377 124.718 121.223 0.197 0.000 2.309 184 L HA 0.777 5.123 4.340 0.011 0.000 0.282 184 L C -0.325 176.599 176.870 0.091 0.000 1.036 184 L CA -1.018 53.919 54.840 0.162 0.000 0.806 184 L CB 2.007 44.135 42.059 0.115 0.000 1.220 184 L HN 0.781 nan 8.230 nan 0.000 0.429 185 A N 3.322 126.203 122.820 0.101 0.000 2.357 185 A HA 0.721 5.048 4.320 0.011 0.000 0.295 185 A C -0.880 176.970 177.584 0.442 0.000 1.121 185 A CA -0.465 51.535 52.037 -0.061 0.000 0.742 185 A CB 1.376 19.766 19.000 -1.017 0.000 1.181 185 A HN 0.390 nan 8.150 nan 0.000 0.454 186 V N 3.290 123.637 119.914 0.721 0.000 2.334 186 V HA 0.450 4.576 4.120 0.011 0.000 0.281 186 V C 0.062 176.708 176.094 0.921 0.000 1.016 186 V CA -0.273 62.447 62.300 0.699 0.000 0.832 186 V CB 1.204 33.236 31.823 0.349 0.000 0.999 186 V HN 0.956 nan 8.190 nan 0.000 0.439 187 M N 6.454 126.614 119.600 0.933 0.000 2.055 187 M HA 0.544 5.030 4.480 0.011 0.000 0.347 187 M C -1.347 175.199 176.300 0.409 0.000 1.123 187 M CA -0.260 55.401 55.300 0.601 0.000 1.035 187 M CB 0.892 33.899 32.600 0.679 0.000 1.484 187 M HN 0.473 nan 8.290 nan 0.000 0.428 188 V N 6.800 126.912 119.914 0.330 0.000 2.398 188 V HA 0.370 4.497 4.120 0.011 0.000 0.286 188 V C -0.098 176.153 176.094 0.262 0.000 1.026 188 V CA -0.737 61.753 62.300 0.317 0.000 0.868 188 V CB 1.325 33.395 31.823 0.412 0.000 0.982 188 V HN 0.791 nan 8.190 nan 0.000 0.443 189 L N 4.954 126.257 121.223 0.134 0.000 2.281 189 L HA 0.474 4.821 4.340 0.011 0.000 0.285 189 L C 1.610 178.470 176.870 -0.016 0.000 1.074 189 L CA -0.270 54.574 54.840 0.006 0.000 0.817 189 L CB 0.669 42.649 42.059 -0.132 0.000 1.168 189 L HN 0.662 nan 8.230 nan 0.000 0.434 190 R N 3.260 123.699 120.500 -0.102 0.000 2.073 190 R HA -0.066 4.281 4.340 0.011 0.000 0.234 190 R C -0.201 175.705 176.300 -0.656 0.000 1.134 190 R CA 1.321 57.111 56.100 -0.517 0.000 0.952 190 R CB 0.171 30.008 30.300 -0.773 0.000 0.850 190 R HN 0.568 nan 8.270 nan 0.000 0.433 191 W N 0.137 121.505 121.300 0.112 0.000 2.570 191 W HA 0.428 5.094 4.660 0.011 0.000 0.337 191 W C -0.214 176.428 176.519 0.205 0.000 1.067 191 W CA -0.713 56.708 57.345 0.126 0.000 1.229 191 W CB 1.650 31.185 29.460 0.125 0.000 1.355 191 W HN 0.060 nan 8.180 nan 0.000 0.555 192 S N -1.137 114.856 115.700 0.487 0.000 2.643 192 S HA 0.180 4.657 4.470 0.011 0.000 0.270 192 S C -0.017 174.845 174.600 0.437 0.000 1.166 192 S CA -0.477 58.012 58.200 0.481 0.000 0.815 192 S CB 1.064 64.509 63.200 0.409 0.000 1.139 192 S HN 0.620 nan 8.310 nan 0.000 0.472 193 D N 0.344 120.996 120.400 0.419 0.000 2.309 193 D HA 0.089 4.736 4.640 0.011 0.000 0.212 193 D C 1.738 178.361 176.300 0.538 0.000 0.968 193 D CA 1.113 55.409 54.000 0.492 0.000 0.882 193 D CB -0.637 40.315 40.800 0.253 0.000 0.918 193 D HN 0.703 nan 8.370 nan 0.000 0.503 194 G N 0.262 109.291 108.800 0.381 0.000 2.432 194 G HA2 -0.268 3.699 3.960 0.011 0.000 0.219 194 G HA3 -0.268 3.699 3.960 0.011 0.000 0.219 194 G C 1.727 176.818 174.900 0.317 0.000 1.135 194 G CA 0.716 46.010 45.100 0.323 0.000 0.767 194 G HN 0.315 nan 8.290 nan 0.000 0.550 195 S N 0.060 115.941 115.700 0.301 0.000 2.400 195 S HA -0.153 4.323 4.470 0.011 0.000 0.232 195 S C 1.936 176.657 174.600 0.202 0.000 1.025 195 S CA 0.994 59.343 58.200 0.248 0.000 0.993 195 S CB -0.462 62.907 63.200 0.281 0.000 0.808 195 S HN 0.561 nan 8.310 nan 0.000 0.478 196 Y N 1.068 121.479 120.300 0.185 0.000 2.403 196 Y HA 0.057 4.614 4.550 0.011 0.000 0.291 196 Y C 1.646 177.626 175.900 0.134 0.000 1.143 196 Y CA 0.612 58.735 58.100 0.037 0.000 1.257 196 Y CB -0.166 38.182 38.460 -0.187 0.000 0.984 196 Y HN 0.199 nan 8.280 nan 0.000 0.550 197 L N -0.351 121.055 121.223 0.305 0.000 2.667 197 L HA 0.129 4.475 4.340 0.011 0.000 0.232 197 L C -0.049 176.961 176.870 0.233 0.000 1.138 197 L CA 0.354 55.332 54.840 0.229 0.000 0.921 197 L CB 0.107 42.306 42.059 0.234 0.000 1.180 197 L HN 0.150 nan 8.230 nan 0.000 0.487 198 E N -0.158 120.197 120.200 0.258 0.000 3.582 198 E HA 0.050 4.407 4.350 0.011 0.000 0.217 198 E C -0.476 176.244 176.600 0.200 0.000 1.092 198 E CA -0.079 56.458 56.400 0.228 0.000 1.365 198 E CB 0.479 30.300 29.700 0.203 0.000 1.278 198 E HN 0.021 nan 8.360 nan 0.000 0.439 199 D N 1.134 121.616 120.400 0.136 0.000 2.434 199 D HA 0.013 4.660 4.640 0.011 0.000 0.232 199 D C -0.239 176.067 176.300 0.011 0.000 1.166 199 D CA -0.081 53.894 54.000 -0.043 0.000 0.830 199 D CB 0.189 40.733 40.800 -0.428 0.000 0.960 199 D HN 0.078 nan 8.370 nan 0.000 0.497 200 Q N 0.609 120.503 119.800 0.155 0.000 2.361 200 Q HA 0.055 4.401 4.340 0.011 0.000 0.276 200 Q C 0.018 176.151 176.000 0.222 0.000 1.022 200 Q CA 0.184 56.147 55.803 0.268 0.000 0.898 200 Q CB 0.544 29.585 28.738 0.505 0.000 1.246 200 Q HN 0.048 nan 8.270 nan 0.000 0.410 201 D N 3.722 124.279 120.400 0.263 0.000 2.540 201 D HA 0.068 4.714 4.640 0.011 0.000 0.237 201 D C -0.656 175.826 176.300 0.303 0.000 1.181 201 D CA 0.259 54.408 54.000 0.249 0.000 1.119 201 D CB -0.461 40.499 40.800 0.266 0.000 1.119 201 D HN 0.517 nan 8.370 nan 0.000 0.498 202 M N -0.188 119.541 119.600 0.215 0.000 3.084 202 M HA 0.386 4.872 4.480 0.011 0.000 0.273 202 M C -1.305 175.076 176.300 0.135 0.000 1.242 202 M CA -1.149 54.204 55.300 0.089 0.000 0.819 202 M CB 1.023 33.550 32.600 -0.122 0.000 1.625 202 M HN -0.121 nan 8.290 nan 0.000 0.493 203 W N 1.974 123.358 121.300 0.139 0.000 2.223 203 W HA 0.327 4.994 4.660 0.011 0.000 0.334 203 W C 0.235 176.771 176.519 0.028 0.000 1.334 203 W CA -0.031 57.383 57.345 0.116 0.000 1.246 203 W CB 0.377 29.843 29.460 0.011 0.000 1.184 203 W HN 0.282 nan 8.180 nan 0.000 0.563 204 R N 4.773 125.457 120.500 0.307 0.000 2.204 204 R HA 0.404 4.751 4.340 0.011 0.000 0.341 204 R C -0.110 176.209 176.300 0.031 0.000 1.035 204 R CA -0.254 55.946 56.100 0.167 0.000 0.887 204 R CB 0.249 30.712 30.300 0.272 0.000 1.114 204 R HN 0.560 nan 8.270 nan 0.000 0.473 205 M N 0.257 119.762 119.600 -0.158 0.000 2.655 205 M HA 0.526 5.013 4.480 0.011 0.000 0.271 205 M C 0.034 175.994 176.300 -0.566 0.000 1.013 205 M CA -0.739 54.347 55.300 -0.357 0.000 0.994 205 M CB 1.896 34.275 32.600 -0.368 0.000 1.585 205 M HN 0.642 nan 8.290 nan 0.000 0.569 206 S N -1.460 113.777 115.700 -0.772 0.000 2.627 206 S HA 0.866 5.343 4.470 0.011 0.000 0.268 206 S C -0.614 173.487 174.600 -0.832 0.000 1.130 206 S CA -0.320 57.344 58.200 -0.894 0.000 0.819 206 S CB 1.351 63.840 63.200 -1.184 0.000 1.100 206 S HN 1.497 nan 8.310 nan 0.000 0.465 207 G N -0.067 108.461 108.800 -0.454 0.000 2.373 207 G HA2 0.150 4.117 3.960 0.011 0.000 0.634 207 G HA3 0.150 4.117 3.960 0.011 0.000 0.634 207 G C -1.321 173.571 174.900 -0.012 0.000 1.267 207 G CA -0.585 44.555 45.100 0.067 0.000 1.008 207 G HN 1.241 nan 8.290 nan 0.000 0.497 208 I N 2.024 122.450 120.570 -0.239 0.000 2.241 208 I HA 0.281 4.458 4.170 0.011 0.000 0.294 208 I C 1.225 177.214 176.117 -0.213 0.000 1.145 208 I CA -0.254 60.804 61.300 -0.405 0.000 1.261 208 I CB -0.158 37.371 38.000 -0.785 0.000 1.475 208 I HN 0.515 nan 8.210 nan 0.000 0.533 209 F N 3.976 123.777 119.950 -0.248 0.000 2.727 209 F HA 0.440 4.973 4.527 0.011 0.000 0.302 209 F C 0.792 176.512 175.800 -0.133 0.000 1.097 209 F CA -0.535 57.354 58.000 -0.186 0.000 1.330 209 F CB 0.045 38.937 39.000 -0.180 0.000 1.084 209 F HN 0.147 nan 8.300 nan 0.000 0.578 210 R N 0.397 120.446 120.500 -0.753 0.000 2.960 210 R HA 0.245 4.591 4.340 0.011 0.000 0.249 210 R C -0.681 175.417 176.300 -0.336 0.000 1.192 210 R CA -1.186 54.614 56.100 -0.500 0.000 1.035 210 R CB 0.574 30.516 30.300 -0.596 0.000 1.234 210 R HN -0.046 nan 8.270 nan 0.000 0.493 211 D N 0.733 120.979 120.400 -0.257 0.000 2.478 211 D HA 0.083 4.730 4.640 0.011 0.000 0.234 211 D C -0.523 175.643 176.300 -0.223 0.000 1.154 211 D CA 0.478 54.363 54.000 -0.191 0.000 0.874 211 D CB 0.638 41.352 40.800 -0.144 0.000 1.198 211 D HN -0.012 nan 8.370 nan 0.000 0.455 212 V N 1.224 121.013 119.914 -0.209 0.000 2.540 212 V HA 0.601 4.728 4.120 0.011 0.000 0.302 212 V C -0.019 175.952 176.094 -0.206 0.000 1.035 212 V CA -0.502 61.609 62.300 -0.316 0.000 0.873 212 V CB 1.638 33.295 31.823 -0.276 0.000 0.992 212 V HN 0.783 nan 8.190 nan 0.000 0.428 213 S N 4.347 119.899 115.700 -0.248 0.000 2.615 213 S HA 0.785 5.262 4.470 0.011 0.000 0.269 213 S C -1.361 173.189 174.600 -0.083 0.000 1.161 213 S CA -0.982 57.149 58.200 -0.115 0.000 0.817 213 S CB 1.687 64.855 63.200 -0.053 0.000 1.131 213 S HN 0.442 nan 8.310 nan 0.000 0.467 214 L N 1.499 122.743 121.223 0.034 0.000 2.333 214 L HA 0.643 4.990 4.340 0.011 0.000 0.280 214 L C -1.413 175.554 176.870 0.161 0.000 1.004 214 L CA -0.827 54.100 54.840 0.146 0.000 0.820 214 L CB 1.594 43.862 42.059 0.349 0.000 1.247 214 L HN 0.626 nan 8.230 nan 0.000 0.416 215 L N 3.698 124.959 121.223 0.063 0.000 2.333 215 L HA 0.435 4.781 4.340 0.011 0.000 0.280 215 L C -0.625 176.137 176.870 -0.181 0.000 1.004 215 L CA -0.054 54.771 54.840 -0.026 0.000 0.820 215 L CB 1.194 43.249 42.059 -0.007 0.000 1.247 215 L HN 0.468 nan 8.230 nan 0.000 0.416 216 H N 5.798 124.586 119.070 -0.470 0.000 2.581 216 H HA 0.445 5.007 4.556 0.011 0.000 0.308 216 H C -1.171 173.898 175.328 -0.431 0.000 1.040 216 H CA -0.546 55.058 56.048 -0.739 0.000 1.231 216 H CB 0.860 29.642 29.762 -1.633 0.000 1.396 216 H HN 0.576 nan 8.280 nan 0.000 0.467 217 K N 5.300 125.250 120.400 -0.749 0.000 2.281 217 K HA 0.399 4.726 4.320 0.011 0.000 0.242 217 K C -2.707 173.616 176.600 -0.463 0.000 0.971 217 K CA -1.983 54.036 56.287 -0.446 0.000 0.834 217 K CB 2.075 34.392 32.500 -0.305 0.000 1.181 217 K HN 0.451 nan 8.250 nan 0.000 0.435 218 P HA 0.035 nan 4.420 nan 0.000 0.274 218 P C 0.803 178.013 177.300 -0.150 0.000 1.256 218 P CA -0.102 62.908 63.100 -0.150 0.000 0.795 218 P CB 0.238 31.899 31.700 -0.066 0.000 1.038 219 T N -3.309 111.185 114.554 -0.100 0.000 2.867 219 T HA -0.037 4.319 4.350 0.011 0.000 0.268 219 T C 0.699 175.348 174.700 -0.085 0.000 1.057 219 T CA 1.238 63.286 62.100 -0.087 0.000 1.136 219 T CB -1.126 67.710 68.868 -0.053 0.000 0.874 219 T HN 0.301 nan 8.240 nan 0.000 0.466 220 T N 3.323 117.833 114.554 -0.072 0.000 2.738 220 T HA 0.499 4.856 4.350 0.011 0.000 0.298 220 T C -0.411 174.238 174.700 -0.085 0.000 0.962 220 T CA -0.709 61.342 62.100 -0.082 0.000 0.972 220 T CB 0.730 69.566 68.868 -0.052 0.000 0.928 220 T HN 0.734 nan 8.240 nan 0.000 0.474 221 Q N 2.341 122.076 119.800 -0.107 0.000 2.534 221 Q HA 0.577 4.923 4.340 0.011 0.000 0.290 221 Q C -1.291 174.649 176.000 -0.100 0.000 0.991 221 Q CA -1.165 54.572 55.803 -0.110 0.000 0.783 221 Q CB 1.139 29.790 28.738 -0.145 0.000 1.470 221 Q HN 0.442 nan 8.270 nan 0.000 0.406 222 I N 2.712 123.207 120.570 -0.124 0.000 2.494 222 I HA 0.005 4.182 4.170 0.011 0.000 0.289 222 I C 0.796 176.808 176.117 -0.174 0.000 1.106 222 I CA 0.166 61.401 61.300 -0.108 0.000 1.369 222 I CB 0.879 38.776 38.000 -0.171 0.000 1.410 222 I HN 0.864 nan 8.210 nan 0.000 0.523 223 S N 2.679 118.377 115.700 -0.004 0.000 2.497 223 S HA 0.189 4.666 4.470 0.011 0.000 0.218 223 S C 0.235 175.005 174.600 0.283 0.000 1.023 223 S CA -0.214 58.037 58.200 0.086 0.000 0.913 223 S CB 0.302 63.529 63.200 0.045 0.000 0.800 223 S HN 0.697 nan 8.310 nan 0.000 0.505 224 D N -0.368 120.204 120.400 0.288 0.000 2.685 224 D HA 0.538 5.185 4.640 0.011 0.000 0.236 224 D C -1.892 174.563 176.300 0.259 0.000 1.233 224 D CA -0.709 53.475 54.000 0.307 0.000 0.760 224 D CB 1.714 42.613 40.800 0.164 0.000 1.410 224 D HN 0.206 nan 8.370 nan 0.000 0.439 225 F N -0.207 119.793 119.950 0.084 0.000 2.650 225 F HA 0.612 5.146 4.527 0.011 0.000 0.310 225 F C -1.785 174.062 175.800 0.079 0.000 1.112 225 F CA -0.696 57.275 58.000 -0.047 0.000 0.986 225 F CB 1.149 40.165 39.000 0.027 0.000 1.285 225 F HN 0.296 nan 8.300 nan 0.000 0.440 226 H N 2.297 121.415 119.070 0.079 0.000 2.589 226 H HA 0.743 5.305 4.556 0.011 0.000 0.351 226 H C -1.339 174.036 175.328 0.079 0.000 1.074 226 H CA -1.534 54.502 56.048 -0.019 0.000 1.203 226 H CB 2.522 32.262 29.762 -0.036 0.000 1.558 226 H HN 0.623 nan 8.280 nan 0.000 0.522 227 V N 2.358 122.372 119.914 0.166 0.000 2.417 227 V HA 0.672 4.798 4.120 0.011 0.000 0.291 227 V C -0.203 175.894 176.094 0.003 0.000 1.024 227 V CA -0.504 61.854 62.300 0.097 0.000 0.861 227 V CB 1.219 33.104 31.823 0.104 0.000 0.985 227 V HN 0.946 nan 8.190 nan 0.000 0.436 228 A N 3.388 126.186 122.820 -0.037 0.000 2.435 228 A HA 0.946 5.273 4.320 0.011 0.000 0.304 228 A C -0.187 177.299 177.584 -0.164 0.000 1.064 228 A CA -0.521 51.471 52.037 -0.075 0.000 0.727 228 A CB 2.056 21.033 19.000 -0.037 0.000 1.284 228 A HN 0.905 nan 8.150 nan 0.000 0.415 229 T N -0.121 114.322 114.554 -0.186 0.000 2.890 229 T HA 0.724 5.080 4.350 0.011 0.000 0.295 229 T C -0.552 173.936 174.700 -0.353 0.000 0.993 229 T CA -0.638 61.260 62.100 -0.338 0.000 0.979 229 T CB 0.925 69.523 68.868 -0.450 0.000 0.967 229 T HN 0.679 nan 8.240 nan 0.000 0.441 230 R N 1.982 122.196 120.500 -0.477 0.000 2.711 230 R HA 0.799 5.146 4.340 0.011 0.000 0.284 230 R C -1.144 174.737 176.300 -0.699 0.000 0.968 230 R CA -0.715 55.168 56.100 -0.361 0.000 0.924 230 R CB 1.502 31.715 30.300 -0.145 0.000 1.162 230 R HN 0.564 nan 8.270 nan 0.000 0.465 231 F N 0.332 120.252 119.950 -0.050 0.000 2.620 231 F HA 0.375 4.907 4.527 0.010 0.000 0.320 231 F C 0.405 176.045 175.800 -0.267 0.000 1.069 231 F CA -1.198 56.708 58.000 -0.157 0.000 0.953 231 F CB 1.020 39.800 39.000 -0.366 0.000 1.322 231 F HN 0.518 nan 8.300 nan 0.000 0.479 232 N N -0.024 118.640 118.700 -0.061 0.000 2.413 232 N HA 0.081 4.828 4.740 0.011 0.000 0.266 232 N C 0.575 175.911 175.510 -0.290 0.000 1.238 232 N CA -0.170 52.807 53.050 -0.121 0.000 0.972 232 N CB 0.141 38.597 38.487 -0.052 0.000 1.210 232 N HN 0.686 nan 8.380 nan 0.000 0.547 233 D N -0.500 119.800 120.400 -0.167 0.000 2.157 233 D HA -0.297 4.349 4.640 0.011 0.000 0.191 233 D C 0.416 176.664 176.300 -0.087 0.000 1.004 233 D CA 2.157 56.083 54.000 -0.122 0.000 0.854 233 D CB -0.660 40.124 40.800 -0.026 0.000 0.936 233 D HN 0.772 nan 8.370 nan 0.000 0.446 234 D N -1.897 118.503 120.400 0.001 0.000 2.440 234 D HA 0.027 4.673 4.640 0.011 0.000 0.216 234 D C 0.182 176.721 176.300 0.398 0.000 1.150 234 D CA -0.817 53.315 54.000 0.220 0.000 0.832 234 D CB -0.921 39.974 40.800 0.158 0.000 0.992 234 D HN 0.256 nan 8.370 nan 0.000 0.502 235 F N 0.417 120.430 119.950 0.104 0.000 2.988 235 F HA -0.281 4.252 4.527 0.009 0.000 0.287 235 F C 1.590 177.476 175.800 0.144 0.000 0.781 235 F CA 0.781 58.871 58.000 0.151 0.000 1.221 235 F CB -2.594 36.410 39.000 0.007 0.000 1.392 235 F HN 0.182 nan 8.300 nan 0.000 0.425 236 S N -1.290 114.528 115.700 0.197 0.000 2.562 236 S HA 0.240 4.717 4.470 0.011 0.000 0.221 236 S C 0.658 175.313 174.600 0.092 0.000 0.975 236 S CA 0.107 58.388 58.200 0.135 0.000 0.918 236 S CB 0.373 63.625 63.200 0.087 0.000 0.772 236 S HN 0.464 nan 8.310 nan 0.000 0.531 237 R N 0.151 120.710 120.500 0.098 0.000 2.604 237 R HA 0.729 5.075 4.340 0.011 0.000 0.281 237 R C -1.427 174.892 176.300 0.030 0.000 1.020 237 R CA -0.247 55.873 56.100 0.035 0.000 0.899 237 R CB 2.262 32.562 30.300 -0.001 0.000 1.205 237 R HN 0.266 nan 8.270 nan 0.000 0.450 238 A N 2.028 124.814 122.820 -0.057 0.000 2.423 238 A HA 0.775 5.102 4.320 0.011 0.000 0.304 238 A C -1.176 176.321 177.584 -0.145 0.000 1.104 238 A CA -0.634 51.286 52.037 -0.195 0.000 0.757 238 A CB 2.033 20.924 19.000 -0.181 0.000 1.313 238 A HN 0.357 nan 8.150 nan 0.000 0.423 239 V N 1.896 121.695 119.914 -0.192 0.000 2.443 239 V HA 0.391 4.517 4.120 0.011 0.000 0.293 239 V C -0.555 175.471 176.094 -0.114 0.000 1.021 239 V CA -0.327 61.904 62.300 -0.116 0.000 0.848 239 V CB 1.332 33.089 31.823 -0.109 0.000 0.998 239 V HN 0.811 nan 8.190 nan 0.000 0.424 240 L N 4.965 126.161 121.223 -0.045 0.000 2.275 240 L HA 0.633 4.979 4.340 0.011 0.000 0.288 240 L C 0.035 176.858 176.870 -0.079 0.000 1.046 240 L CA 0.030 54.817 54.840 -0.088 0.000 0.805 240 L CB 1.123 43.151 42.059 -0.051 0.000 1.193 240 L HN 0.821 nan 8.230 nan 0.000 0.426 241 E N 5.152 125.301 120.200 -0.085 0.000 2.185 241 E HA 0.609 4.966 4.350 0.011 0.000 0.261 241 E C -1.599 174.988 176.600 -0.022 0.000 0.879 241 E CA -0.846 55.522 56.400 -0.053 0.000 0.756 241 E CB 1.719 31.388 29.700 -0.051 0.000 1.152 241 E HN 0.737 nan 8.360 nan 0.000 0.416 242 A N 4.702 127.513 122.820 -0.015 0.000 2.273 242 A HA 0.323 4.650 4.320 0.011 0.000 0.315 242 A C -0.546 177.036 177.584 -0.003 0.000 1.256 242 A CA -0.699 51.353 52.037 0.024 0.000 0.851 242 A CB 1.022 20.027 19.000 0.007 0.000 1.172 242 A HN 0.771 nan 8.150 nan 0.000 0.508 243 E N 2.701 122.903 120.200 0.003 0.000 2.156 243 E HA 0.563 4.919 4.350 0.011 0.000 0.279 243 E C -1.395 175.153 176.600 -0.086 0.000 0.965 243 E CA -0.430 55.924 56.400 -0.078 0.000 0.789 243 E CB 1.246 30.868 29.700 -0.129 0.000 1.098 243 E HN 0.367 nan 8.360 nan 0.000 0.397 244 V N 4.425 124.299 119.914 -0.066 0.000 2.604 244 V HA 0.324 4.450 4.120 0.011 0.000 0.305 244 V C -0.567 175.570 176.094 0.071 0.000 1.043 244 V CA -0.836 61.471 62.300 0.011 0.000 0.888 244 V CB 1.723 33.529 31.823 -0.028 0.000 0.995 244 V HN 0.756 nan 8.190 nan 0.000 0.429 245 Q N 4.074 123.943 119.800 0.115 0.000 2.365 245 Q HA 0.832 5.179 4.340 0.011 0.000 0.269 245 Q C -0.899 175.197 176.000 0.160 0.000 1.061 245 Q CA -0.858 55.029 55.803 0.141 0.000 0.816 245 Q CB 2.688 31.437 28.738 0.019 0.000 1.325 245 Q HN 0.820 nan 8.270 nan 0.000 0.446 246 M N -0.833 118.816 119.600 0.082 0.000 2.716 246 M HA 0.758 5.244 4.480 0.011 0.000 0.307 246 M C -1.258 174.966 176.300 -0.127 0.000 1.223 246 M CA -0.504 54.752 55.300 -0.075 0.000 0.871 246 M CB 1.517 33.885 32.600 -0.386 0.000 1.739 246 M HN 0.502 nan 8.290 nan 0.000 0.475 247 C N 0.926 120.152 119.300 -0.123 0.000 2.529 247 C HA 1.032 5.499 4.460 0.011 0.000 0.329 247 C C 0.707 175.617 174.990 -0.135 0.000 1.194 247 C CA 0.575 59.528 59.018 -0.109 0.000 1.779 247 C CB 0.823 28.523 27.740 -0.067 0.000 2.322 247 C HN 1.374 nan 8.230 nan 0.000 0.500 248 G N 1.634 110.364 108.800 -0.117 0.000 2.483 248 G HA2 -0.025 3.942 3.960 0.011 0.000 0.521 248 G HA3 -0.025 3.942 3.960 0.011 0.000 0.521 248 G C -1.024 173.796 174.900 -0.134 0.000 1.278 248 G CA -0.686 44.347 45.100 -0.112 0.000 0.965 248 G HN 0.830 nan 8.290 nan 0.000 0.504 249 E N 0.153 120.282 120.200 -0.118 0.000 2.257 249 E HA 0.355 4.712 4.350 0.011 0.000 0.278 249 E C 0.475 176.964 176.600 -0.185 0.000 1.049 249 E CA -0.288 56.037 56.400 -0.125 0.000 0.876 249 E CB 0.381 30.032 29.700 -0.081 0.000 1.035 249 E HN 0.403 nan 8.360 nan 0.000 0.419 250 L N 5.017 126.121 121.223 -0.198 0.000 2.416 250 L HA 0.222 4.568 4.340 0.011 0.000 0.272 250 L C 0.660 177.380 176.870 -0.250 0.000 1.161 250 L CA 0.263 54.956 54.840 -0.245 0.000 0.845 250 L CB 0.324 42.265 42.059 -0.197 0.000 1.119 250 L HN 0.293 nan 8.230 nan 0.000 0.464 251 R N 1.770 122.056 120.500 -0.357 0.000 2.604 251 R HA 0.159 4.506 4.340 0.011 0.000 0.281 251 R C -0.238 175.754 176.300 -0.513 0.000 1.020 251 R CA -0.796 54.980 56.100 -0.540 0.000 0.899 251 R CB 1.878 31.594 30.300 -0.973 0.000 1.205 251 R HN 0.556 nan 8.270 nan 0.000 0.450 252 D N 1.276 121.477 120.400 -0.333 0.000 2.203 252 D HA -0.200 4.447 4.640 0.011 0.000 0.199 252 D C 1.552 177.797 176.300 -0.090 0.000 0.997 252 D CA 1.870 55.780 54.000 -0.151 0.000 0.863 252 D CB 0.059 40.832 40.800 -0.045 0.000 0.928 252 D HN 0.603 nan 8.370 nan 0.000 0.458 253 Y N -0.160 120.151 120.300 0.018 0.000 2.583 253 Y HA 0.244 4.800 4.550 0.011 0.000 0.293 253 Y C 0.838 176.747 175.900 0.015 0.000 1.157 253 Y CA -0.431 57.680 58.100 0.019 0.000 1.315 253 Y CB -0.944 37.527 38.460 0.019 0.000 1.021 253 Y HN -0.171 nan 8.280 nan 0.000 0.536 254 L N 2.584 123.815 121.223 0.012 0.000 2.461 254 L HA 0.265 4.612 4.340 0.011 0.000 0.272 254 L C 0.221 177.124 176.870 0.055 0.000 1.197 254 L CA 0.028 54.928 54.840 0.100 0.000 0.836 254 L CB 0.395 42.488 42.059 0.057 0.000 1.105 254 L HN 0.182 nan 8.230 nan 0.000 0.477 255 R N 1.674 122.105 120.500 -0.116 0.000 2.764 255 R HA 0.694 5.041 4.340 0.011 0.000 0.270 255 R C -1.531 174.459 176.300 -0.516 0.000 1.014 255 R CA -0.805 55.084 56.100 -0.352 0.000 0.904 255 R CB 2.068 32.027 30.300 -0.569 0.000 1.236 255 R HN 0.268 nan 8.270 nan 0.000 0.466 256 V N 0.670 120.312 119.914 -0.453 0.000 2.656 256 V HA 0.546 4.672 4.120 0.011 0.000 0.307 256 V C -0.461 175.579 176.094 -0.090 0.000 1.051 256 V CA -0.557 61.561 62.300 -0.304 0.000 0.893 256 V CB 2.377 33.961 31.823 -0.398 0.000 0.999 256 V HN 0.726 nan 8.190 nan 0.000 0.426 257 T N 3.809 118.420 114.554 0.095 0.000 2.824 257 T HA 0.615 4.971 4.350 0.011 0.000 0.282 257 T C -0.731 173.975 174.700 0.010 0.000 0.993 257 T CA -0.376 61.790 62.100 0.110 0.000 0.967 257 T CB 1.653 70.621 68.868 0.167 0.000 0.960 257 T HN 0.353 nan 8.240 nan 0.000 0.441 258 V N 3.125 123.022 119.914 -0.029 0.000 2.378 258 V HA 0.539 4.665 4.120 0.011 0.000 0.288 258 V C -0.071 176.002 176.094 -0.035 0.000 1.016 258 V CA -0.667 61.604 62.300 -0.049 0.000 0.840 258 V CB 1.753 33.530 31.823 -0.077 0.000 0.994 258 V HN 0.907 nan 8.190 nan 0.000 0.431 259 S N 4.778 120.480 115.700 0.003 0.000 2.454 259 S HA 0.714 5.191 4.470 0.011 0.000 0.306 259 S C -0.738 173.866 174.600 0.007 0.000 1.100 259 S CA -0.420 57.765 58.200 -0.026 0.000 1.087 259 S CB 1.542 64.819 63.200 0.127 0.000 1.019 259 S HN 0.567 nan 8.310 nan 0.000 0.480 260 L N 4.109 125.239 121.223 -0.155 0.000 2.305 260 L HA 0.682 5.028 4.340 0.011 0.000 0.284 260 L C -1.824 174.971 176.870 -0.124 0.000 1.013 260 L CA -0.142 54.696 54.840 -0.004 0.000 0.819 260 L CB 0.404 42.479 42.059 0.026 0.000 1.227 260 L HN 0.694 nan 8.230 nan 0.000 0.417 261 W N 3.552 124.964 121.300 0.187 0.000 2.781 261 W HA 0.622 5.289 4.660 0.011 0.000 0.345 261 W C -0.565 176.058 176.519 0.173 0.000 1.085 261 W CA -0.522 56.911 57.345 0.147 0.000 1.198 261 W CB 1.409 30.901 29.460 0.054 0.000 1.423 261 W HN 0.412 nan 8.180 nan 0.000 0.532 262 Q N 2.309 122.292 119.800 0.304 0.000 2.394 262 Q HA 0.499 4.845 4.340 0.011 0.000 0.261 262 Q C 0.546 176.602 176.000 0.092 0.000 1.023 262 Q CA 0.298 56.112 55.803 0.018 0.000 0.720 262 Q CB 0.847 29.534 28.738 -0.085 0.000 1.241 262 Q HN 0.790 nan 8.270 nan 0.000 0.483 263 G N 3.193 112.034 108.800 0.069 0.000 2.564 263 G HA2 -0.356 3.610 3.960 0.011 0.000 0.273 263 G HA3 -0.356 3.610 3.960 0.011 0.000 0.273 263 G C 0.100 175.080 174.900 0.132 0.000 1.242 263 G CA 0.268 45.403 45.100 0.059 0.000 0.951 263 G HN 0.702 nan 8.290 nan 0.000 0.564 264 E N 0.985 121.243 120.200 0.097 0.000 2.382 264 E HA 0.316 4.673 4.350 0.011 0.000 0.190 264 E C 0.495 177.302 176.600 0.346 0.000 1.125 264 E CA 0.781 57.258 56.400 0.128 0.000 0.929 264 E CB -0.005 29.721 29.700 0.045 0.000 1.053 264 E HN 0.442 nan 8.360 nan 0.000 0.475 265 T N 0.376 115.172 114.554 0.402 0.000 2.807 265 T HA 0.211 4.568 4.350 0.011 0.000 0.279 265 T C -0.506 174.299 174.700 0.176 0.000 0.993 265 T CA -0.674 61.603 62.100 0.295 0.000 0.970 265 T CB 1.567 70.507 68.868 0.120 0.000 0.950 265 T HN 0.015 nan 8.240 nan 0.000 0.441 266 Q N 2.696 122.290 119.800 -0.342 0.000 2.337 266 Q HA 0.345 4.692 4.340 0.011 0.000 0.255 266 Q C 1.035 176.774 176.000 -0.436 0.000 0.997 266 Q CA -0.466 54.725 55.803 -1.019 0.000 0.925 266 Q CB 0.731 28.576 28.738 -1.487 0.000 1.212 266 Q HN 0.700 nan 8.270 nan 0.000 0.436 267 V N 1.134 120.863 119.914 -0.308 0.000 2.992 267 V HA 0.564 4.690 4.120 0.011 0.000 0.250 267 V C 0.318 176.313 176.094 -0.165 0.000 1.090 267 V CA 0.876 63.095 62.300 -0.135 0.000 1.101 267 V CB 0.133 31.976 31.823 0.033 0.000 0.743 267 V HN 0.617 nan 8.190 nan 0.000 0.468 268 A N -0.890 121.793 122.820 -0.228 0.000 2.608 268 A HA 0.821 5.148 4.320 0.011 0.000 0.292 268 A C -0.633 176.835 177.584 -0.194 0.000 1.066 268 A CA 0.224 52.157 52.037 -0.174 0.000 0.676 268 A CB 1.517 20.448 19.000 -0.115 0.000 1.277 268 A HN 0.832 nan 8.150 nan 0.000 0.413 269 S N -1.075 114.541 115.700 -0.140 0.000 2.567 269 S HA 0.804 5.281 4.470 0.011 0.000 0.270 269 S C -0.672 173.880 174.600 -0.080 0.000 1.152 269 S CA 0.233 58.361 58.200 -0.120 0.000 0.835 269 S CB 1.623 64.738 63.200 -0.141 0.000 1.115 269 S HN 2.439 nan 8.310 nan 0.000 0.459 270 G N 1.339 110.103 108.800 -0.060 0.000 2.742 270 G HA2 0.644 4.611 3.960 0.011 0.000 0.296 270 G HA3 0.644 4.611 3.960 0.011 0.000 0.296 270 G C -1.457 173.423 174.900 -0.034 0.000 1.436 270 G CA -0.363 44.707 45.100 -0.049 0.000 0.928 270 G HN 0.744 nan 8.290 nan 0.000 0.520 271 T N -0.377 114.161 114.554 -0.027 0.000 2.916 271 T HA 0.894 5.250 4.350 0.011 0.000 0.305 271 T C -0.324 174.347 174.700 -0.048 0.000 1.119 271 T CA 0.193 62.286 62.100 -0.010 0.000 1.008 271 T CB 1.873 70.772 68.868 0.052 0.000 1.129 271 T HN 1.779 nan 8.240 nan 0.000 0.480 272 A N 2.806 125.568 122.820 -0.096 0.000 2.566 272 A HA 0.928 5.255 4.320 0.011 0.000 0.290 272 A C -3.217 174.250 177.584 -0.196 0.000 1.071 272 A CA -1.390 50.575 52.037 -0.120 0.000 0.658 272 A CB 1.169 20.095 19.000 -0.124 0.000 1.285 272 A HN 0.529 nan 8.150 nan 0.000 0.427 273 P HA 0.652 nan 4.420 nan 0.000 0.287 273 P C -0.718 176.487 177.300 -0.159 0.000 1.279 273 P CA -0.415 62.613 63.100 -0.120 0.000 0.867 273 P CB 0.533 32.220 31.700 -0.022 0.000 1.127 274 F N 0.199 120.108 119.950 -0.068 0.000 2.480 274 F HA 0.436 4.969 4.527 0.011 0.000 0.319 274 F C 1.651 177.433 175.800 -0.031 0.000 1.230 274 F CA 1.573 59.544 58.000 -0.048 0.000 1.285 274 F CB -0.308 38.661 39.000 -0.051 0.000 1.208 274 F HN 0.617 nan 8.300 nan 0.000 0.579 275 G N 0.867 109.794 108.800 0.212 0.000 2.607 275 G HA2 0.312 4.279 3.960 0.011 0.000 0.613 275 G HA3 0.312 4.279 3.960 0.011 0.000 0.613 275 G C -0.247 174.701 174.900 0.080 0.000 1.099 275 G CA -0.723 44.450 45.100 0.122 0.000 1.280 275 G HN 1.060 nan 8.290 nan 0.000 0.573 276 G N 0.338 109.205 108.800 0.113 0.000 2.653 276 G HA2 0.564 4.531 3.960 0.011 0.000 0.265 276 G HA3 0.564 4.531 3.960 0.011 0.000 0.265 276 G C 0.323 175.262 174.900 0.065 0.000 1.237 276 G CA -0.338 44.812 45.100 0.083 0.000 0.946 276 G HN 0.601 nan 8.290 nan 0.000 0.522 277 E N -1.031 119.199 120.200 0.050 0.000 2.442 277 E HA 0.069 4.425 4.350 0.011 0.000 0.260 277 E C 0.689 177.314 176.600 0.042 0.000 1.148 277 E CA -0.202 56.219 56.400 0.036 0.000 0.976 277 E CB 0.453 30.169 29.700 0.026 0.000 0.967 277 E HN 0.254 nan 8.360 nan 0.000 0.454 278 I N 2.836 123.418 120.570 0.021 0.000 2.533 278 I HA -0.053 4.123 4.170 0.011 0.000 0.284 278 I C 1.539 177.665 176.117 0.016 0.000 1.109 278 I CA 0.435 61.740 61.300 0.008 0.000 1.412 278 I CB 0.261 38.260 38.000 -0.001 0.000 1.396 278 I HN 0.496 nan 8.210 nan 0.000 0.543 279 I N 2.029 122.605 120.570 0.010 0.000 4.139 279 I HA 0.298 4.475 4.170 0.011 0.000 0.320 279 I C -0.145 175.974 176.117 0.005 0.000 1.290 279 I CA 0.055 61.370 61.300 0.025 0.000 1.253 279 I CB 0.449 38.493 38.000 0.073 0.000 1.122 279 I HN 0.589 nan 8.210 nan 0.000 0.421 280 D N -0.611 119.777 120.400 -0.019 0.000 2.759 280 D HA 0.191 4.837 4.640 0.011 0.000 0.321 280 D C 0.308 176.592 176.300 -0.027 0.000 1.267 280 D CA -0.512 53.477 54.000 -0.019 0.000 0.933 280 D CB 0.549 41.338 40.800 -0.019 0.000 1.431 280 D HN -0.148 nan 8.370 nan 0.000 0.504 281 E N -0.862 119.325 120.200 -0.023 0.000 2.273 281 E HA -0.108 4.249 4.350 0.011 0.000 0.198 281 E C 1.326 177.907 176.600 -0.032 0.000 1.002 281 E CA 1.124 57.511 56.400 -0.023 0.000 0.828 281 E CB -0.086 29.604 29.700 -0.018 0.000 0.747 281 E HN 0.254 nan 8.360 nan 0.000 0.491 282 R N -0.394 120.079 120.500 -0.045 0.000 2.317 282 R HA 0.284 4.630 4.340 0.011 0.000 0.208 282 R C 0.927 177.184 176.300 -0.071 0.000 0.914 282 R CA 0.699 56.764 56.100 -0.058 0.000 1.060 282 R CB 0.530 30.789 30.300 -0.069 0.000 1.015 282 R HN 0.214 nan 8.270 nan 0.000 0.498 283 G N -0.477 108.284 108.800 -0.066 0.000 2.408 283 G HA2 -0.123 3.844 3.960 0.011 0.000 0.204 283 G HA3 -0.123 3.844 3.960 0.011 0.000 0.204 283 G C -0.234 174.615 174.900 -0.085 0.000 1.186 283 G CA -0.616 44.445 45.100 -0.065 0.000 1.139 283 G HN 0.475 nan 8.290 nan 0.000 0.563 284 G N -1.959 106.786 108.800 -0.091 0.000 3.105 284 G HA2 0.647 4.614 3.960 0.011 0.000 0.277 284 G HA3 0.647 4.614 3.960 0.011 0.000 0.277 284 G C -1.582 173.221 174.900 -0.161 0.000 1.375 284 G CA -0.728 44.322 45.100 -0.082 0.000 0.962 284 G HN 0.765 nan 8.290 nan 0.000 0.541 285 Y N 0.951 121.263 120.300 0.021 0.000 2.477 285 Y HA 0.424 4.981 4.550 0.011 0.000 0.349 285 Y C 1.429 177.355 175.900 0.044 0.000 0.977 285 Y CA 0.143 58.260 58.100 0.029 0.000 1.214 285 Y CB 1.735 40.218 38.460 0.038 0.000 1.124 285 Y HN 0.544 nan 8.280 nan 0.000 0.521 286 A N 1.761 124.655 122.820 0.123 0.000 2.119 286 A HA -0.131 4.196 4.320 0.011 0.000 0.217 286 A C 1.282 178.944 177.584 0.129 0.000 1.153 286 A CA 1.320 53.416 52.037 0.098 0.000 0.692 286 A CB -0.280 18.733 19.000 0.022 0.000 0.799 286 A HN 0.786 nan 8.150 nan 0.000 0.458 287 D N -0.850 119.633 120.400 0.137 0.000 2.395 287 D HA 0.169 4.816 4.640 0.011 0.000 0.226 287 D C 0.495 176.956 176.300 0.268 0.000 1.146 287 D CA -0.035 53.985 54.000 0.033 0.000 0.830 287 D CB -0.007 40.783 40.800 -0.017 0.000 0.958 287 D HN 0.390 nan 8.370 nan 0.000 0.501 288 R N -0.956 119.794 120.500 0.417 0.000 2.817 288 R HA 0.759 5.106 4.340 0.011 0.000 0.268 288 R C -1.669 174.761 176.300 0.216 0.000 1.027 288 R CA -1.181 55.130 56.100 0.353 0.000 0.928 288 R CB 2.946 33.312 30.300 0.110 0.000 1.228 288 R HN -0.028 nan 8.270 nan 0.000 0.469 289 V N 0.294 120.200 119.914 -0.012 0.000 3.000 289 V HA 0.440 4.566 4.120 0.011 0.000 0.300 289 V C -1.536 174.478 176.094 -0.134 0.000 1.251 289 V CA -0.292 61.915 62.300 -0.155 0.000 0.972 289 V CB 2.662 34.244 31.823 -0.402 0.000 1.065 289 V HN 0.805 nan 8.190 nan 0.000 0.431 290 T N 7.480 121.976 114.554 -0.096 0.000 2.797 290 T HA 0.649 5.006 4.350 0.011 0.000 0.279 290 T C -0.948 173.703 174.700 -0.082 0.000 0.991 290 T CA -0.422 61.633 62.100 -0.075 0.000 0.979 290 T CB 1.104 69.945 68.868 -0.044 0.000 0.943 290 T HN 0.442 nan 8.240 nan 0.000 0.444 291 L N 3.402 124.578 121.223 -0.077 0.000 2.346 291 L HA 0.578 4.924 4.340 0.011 0.000 0.274 291 L C 0.243 177.078 176.870 -0.059 0.000 1.007 291 L CA -0.605 54.190 54.840 -0.075 0.000 0.818 291 L CB 1.847 43.856 42.059 -0.083 0.000 1.284 291 L HN 0.552 nan 8.230 nan 0.000 0.424 292 R N 3.336 123.803 120.500 -0.056 0.000 2.409 292 R HA 0.606 4.953 4.340 0.011 0.000 0.313 292 R C -1.332 174.937 176.300 -0.052 0.000 0.953 292 R CA -0.946 55.123 56.100 -0.052 0.000 0.849 292 R CB 1.965 32.236 30.300 -0.049 0.000 1.171 292 R HN 0.244 nan 8.270 nan 0.000 0.458 293 L N 2.926 124.119 121.223 -0.051 0.000 2.322 293 L HA 0.342 4.688 4.340 0.011 0.000 0.281 293 L C -0.286 176.554 176.870 -0.050 0.000 1.014 293 L CA -0.547 54.263 54.840 -0.051 0.000 0.815 293 L CB 1.652 43.683 42.059 -0.046 0.000 1.247 293 L HN 0.463 nan 8.230 nan 0.000 0.421 294 N N 1.664 120.329 118.700 -0.059 0.000 2.488 294 N HA 0.486 5.233 4.740 0.011 0.000 0.274 294 N C -1.085 174.375 175.510 -0.083 0.000 1.111 294 N CA -0.285 52.726 53.050 -0.065 0.000 0.974 294 N CB 1.352 39.804 38.487 -0.059 0.000 1.089 294 N HN 0.233 nan 8.380 nan 0.000 0.465 295 V N 1.946 121.796 119.914 -0.107 0.000 2.376 295 V HA 0.231 4.357 4.120 0.011 0.000 0.287 295 V C -0.094 175.908 176.094 -0.153 0.000 1.015 295 V CA -0.805 61.383 62.300 -0.186 0.000 0.834 295 V CB 1.174 32.770 31.823 -0.378 0.000 1.001 295 V HN 0.585 nan 8.190 nan 0.000 0.428 296 E N 3.165 123.302 120.200 -0.106 0.000 2.313 296 E HA 0.236 4.593 4.350 0.011 0.000 0.276 296 E C 0.410 176.978 176.600 -0.053 0.000 1.031 296 E CA -0.130 56.234 56.400 -0.060 0.000 0.857 296 E CB 0.628 30.303 29.700 -0.041 0.000 1.040 296 E HN 0.784 nan 8.360 nan 0.000 0.408 297 N N 1.632 120.325 118.700 -0.011 0.000 2.699 297 N HA -0.172 4.574 4.740 0.011 0.000 0.256 297 N C -2.413 173.093 175.510 -0.007 0.000 0.993 297 N CA 0.057 53.117 53.050 0.016 0.000 0.759 297 N CB -1.035 37.465 38.487 0.021 0.000 0.906 297 N HN 0.315 nan 8.380 nan 0.000 0.541 298 P HA -0.007 nan 4.420 nan 0.000 0.269 298 P C -0.394 176.932 177.300 0.043 0.000 1.215 298 P CA 0.337 63.333 63.100 -0.174 0.000 0.780 298 P CB 0.763 32.140 31.700 -0.537 0.000 0.898 299 K N 2.123 122.633 120.400 0.183 0.000 2.285 299 K HA 0.319 4.646 4.320 0.011 0.000 0.286 299 K C 0.119 176.873 176.600 0.257 0.000 1.072 299 K CA -0.523 55.867 56.287 0.171 0.000 0.913 299 K CB 0.369 32.940 32.500 0.119 0.000 1.067 299 K HN 0.427 nan 8.250 nan 0.000 0.479 300 L N 2.780 124.085 121.223 0.136 0.000 2.380 300 L HA 0.211 4.558 4.340 0.011 0.000 0.273 300 L C 0.094 177.024 176.870 0.100 0.000 1.138 300 L CA -0.619 54.292 54.840 0.119 0.000 0.832 300 L CB 0.228 42.207 42.059 -0.133 0.000 1.124 300 L HN 0.596 nan 8.230 nan 0.000 0.454 301 W N 4.106 125.432 121.300 0.043 0.000 2.365 301 W HA 0.480 5.145 4.660 0.009 0.000 0.316 301 W C -0.017 176.452 176.519 -0.084 0.000 1.164 301 W CA 0.056 57.414 57.345 0.023 0.000 1.204 301 W CB 1.263 30.791 29.460 0.114 0.000 1.213 301 W HN 0.635 nan 8.180 nan 0.000 0.539 302 S N 3.057 118.180 115.700 -0.961 0.000 2.615 302 S HA 0.634 5.111 4.470 0.011 0.000 0.269 302 S C 0.027 173.790 174.600 -1.395 0.000 1.161 302 S CA -0.400 57.263 58.200 -0.896 0.000 0.817 302 S CB 1.185 64.156 63.200 -0.381 0.000 1.131 302 S HN 1.013 nan 8.310 nan 0.000 0.467 303 A N 0.442 122.624 122.820 -1.064 0.000 2.066 303 A HA 0.073 4.400 4.320 0.011 0.000 0.218 303 A C 1.720 178.976 177.584 -0.547 0.000 1.157 303 A CA 1.297 52.756 52.037 -0.964 0.000 0.670 303 A CB -0.869 17.388 19.000 -1.238 0.000 0.804 303 A HN 0.871 nan 8.150 nan 0.000 0.453 304 E N -0.448 119.560 120.200 -0.319 0.000 2.046 304 E HA 0.039 4.396 4.350 0.011 0.000 0.190 304 E C -0.135 176.318 176.600 -0.245 0.000 0.982 304 E CA 0.768 57.049 56.400 -0.198 0.000 0.800 304 E CB -0.047 29.675 29.700 0.038 0.000 0.756 304 E HN 0.621 nan 8.360 nan 0.000 0.449 305 I N 1.740 122.141 120.570 -0.282 0.000 2.583 305 I HA 0.173 4.350 4.170 0.011 0.000 0.276 305 I C -2.520 173.362 176.117 -0.392 0.000 1.089 305 I CA -1.976 59.173 61.300 -0.252 0.000 1.103 305 I CB 1.975 39.884 38.000 -0.153 0.000 1.209 305 I HN -0.221 nan 8.210 nan 0.000 0.484 306 P HA 0.069 nan 4.420 nan 0.000 0.228 306 P C -0.467 176.785 177.300 -0.080 0.000 1.748 306 P CA -0.169 62.603 63.100 -0.547 0.000 0.909 306 P CB -0.359 31.160 31.700 -0.301 0.000 1.882 307 N N 1.371 120.054 118.700 -0.029 0.000 2.412 307 N HA 0.075 4.822 4.740 0.011 0.000 0.258 307 N C 0.135 175.861 175.510 0.360 0.000 1.236 307 N CA 0.538 53.661 53.050 0.122 0.000 0.882 307 N CB 0.716 39.277 38.487 0.124 0.000 1.066 307 N HN 0.259 nan 8.380 nan 0.000 0.465 308 L N 2.284 123.642 121.223 0.225 0.000 2.370 308 L HA 0.496 4.842 4.340 0.011 0.000 0.266 308 L C -0.828 176.105 176.870 0.106 0.000 1.002 308 L CA -0.878 54.123 54.840 0.270 0.000 0.818 308 L CB 1.219 43.417 42.059 0.231 0.000 1.325 308 L HN 0.386 nan 8.230 nan 0.000 0.418 309 Y N 0.233 120.683 120.300 0.250 0.000 2.598 309 Y HA 0.632 5.189 4.550 0.011 0.000 0.340 309 Y C -0.235 175.787 175.900 0.205 0.000 1.038 309 Y CA -0.887 57.364 58.100 0.252 0.000 1.100 309 Y CB 1.879 40.550 38.460 0.353 0.000 1.281 309 Y HN 0.386 nan 8.280 nan 0.000 0.488 310 R N 1.296 122.025 120.500 0.381 0.000 2.387 310 R HA 0.812 5.159 4.340 0.011 0.000 0.314 310 R C -1.513 174.966 176.300 0.298 0.000 0.958 310 R CA -0.498 55.761 56.100 0.265 0.000 0.846 310 R CB 0.931 31.332 30.300 0.167 0.000 1.147 310 R HN 0.748 nan 8.270 nan 0.000 0.447 311 A N 3.805 126.748 122.820 0.205 0.000 2.304 311 A HA 0.623 4.950 4.320 0.011 0.000 0.323 311 A C -1.081 176.549 177.584 0.078 0.000 1.195 311 A CA -0.659 51.470 52.037 0.153 0.000 0.826 311 A CB 1.337 20.393 19.000 0.093 0.000 1.184 311 A HN 0.495 nan 8.150 nan 0.000 0.496 312 V N 3.649 123.609 119.914 0.076 0.000 2.407 312 V HA 0.317 4.444 4.120 0.011 0.000 0.291 312 V C -0.406 175.646 176.094 -0.069 0.000 1.018 312 V CA -0.486 61.815 62.300 0.001 0.000 0.842 312 V CB 1.546 33.412 31.823 0.072 0.000 0.996 312 V HN 0.625 nan 8.190 nan 0.000 0.426 313 V N 5.009 124.810 119.914 -0.188 0.000 2.318 313 V HA 0.383 4.510 4.120 0.011 0.000 0.271 313 V C 0.100 176.132 176.094 -0.105 0.000 1.030 313 V CA -0.528 61.629 62.300 -0.239 0.000 0.844 313 V CB 0.980 32.470 31.823 -0.556 0.000 1.015 313 V HN 0.902 nan 8.190 nan 0.000 0.460 314 E N 3.977 124.170 120.200 -0.011 0.000 2.156 314 E HA 0.465 4.822 4.350 0.011 0.000 0.279 314 E C -0.904 175.791 176.600 0.158 0.000 0.965 314 E CA -0.844 55.610 56.400 0.090 0.000 0.789 314 E CB 2.250 32.033 29.700 0.139 0.000 1.098 314 E HN 0.458 nan 8.360 nan 0.000 0.397 315 L N 5.051 126.345 121.223 0.118 0.000 2.255 315 L HA 0.363 4.709 4.340 0.011 0.000 0.289 315 L C -0.900 176.067 176.870 0.162 0.000 1.046 315 L CA 0.161 55.059 54.840 0.097 0.000 0.816 315 L CB -0.389 41.716 42.059 0.076 0.000 1.197 315 L HN 0.697 nan 8.230 nan 0.000 0.427 316 H N 0.425 119.547 119.070 0.087 0.000 3.110 316 H HA 0.826 5.388 4.556 0.011 0.000 0.277 316 H C -0.841 174.564 175.328 0.127 0.000 1.571 316 H CA -0.468 55.630 56.048 0.084 0.000 1.206 316 H CB 0.785 30.576 29.762 0.048 0.000 1.852 316 H HN 0.423 nan 8.280 nan 0.000 0.629 317 T N -2.211 112.525 114.554 0.302 0.000 2.925 317 T HA 0.586 4.943 4.350 0.011 0.000 0.285 317 T C 1.274 176.134 174.700 0.267 0.000 1.021 317 T CA -0.417 61.822 62.100 0.233 0.000 1.042 317 T CB 1.712 70.636 68.868 0.092 0.000 1.037 317 T HN 0.948 nan 8.240 nan 0.000 0.481 318 A N 1.903 124.840 122.820 0.194 0.000 1.986 318 A HA -0.130 4.197 4.320 0.011 0.000 0.220 318 A C 1.861 179.521 177.584 0.127 0.000 1.171 318 A CA 1.847 53.979 52.037 0.159 0.000 0.640 318 A CB -0.915 18.160 19.000 0.125 0.000 0.811 318 A HN 0.977 nan 8.150 nan 0.000 0.451 319 D N -1.962 118.489 120.400 0.084 0.000 2.363 319 D HA 0.241 4.888 4.640 0.011 0.000 0.226 319 D C 1.104 177.427 176.300 0.038 0.000 1.020 319 D CA 0.944 54.967 54.000 0.039 0.000 0.892 319 D CB -0.602 40.196 40.800 -0.003 0.000 0.900 319 D HN 0.899 nan 8.370 nan 0.000 0.531 320 G N -0.318 108.529 108.800 0.079 0.000 2.138 320 G HA2 -0.208 3.759 3.960 0.011 0.000 0.193 320 G HA3 -0.208 3.759 3.960 0.011 0.000 0.193 320 G C 0.071 174.987 174.900 0.026 0.000 0.998 320 G CA 0.011 45.129 45.100 0.030 0.000 0.668 320 G HN 0.356 nan 8.290 nan 0.000 0.516 321 T N 1.736 116.333 114.554 0.071 0.000 2.727 321 T HA 0.503 4.860 4.350 0.011 0.000 0.298 321 T C 0.360 175.123 174.700 0.105 0.000 0.942 321 T CA -0.347 61.785 62.100 0.054 0.000 0.997 321 T CB 1.644 70.523 68.868 0.018 0.000 0.917 321 T HN 0.521 nan 8.240 nan 0.000 0.487 322 L N 4.985 126.251 121.223 0.072 0.000 2.499 322 L HA 0.237 4.583 4.340 0.011 0.000 0.273 322 L C 0.783 177.714 176.870 0.101 0.000 1.195 322 L CA 0.559 55.460 54.840 0.101 0.000 0.882 322 L CB -0.051 42.040 42.059 0.054 0.000 1.133 322 L HN 0.699 nan 8.230 nan 0.000 0.483 323 I N 2.469 123.112 120.570 0.121 0.000 2.729 323 I HA 0.164 4.341 4.170 0.011 0.000 0.256 323 I C 0.488 176.639 176.117 0.057 0.000 1.115 323 I CA 0.384 61.734 61.300 0.083 0.000 1.446 323 I CB 0.263 38.315 38.000 0.087 0.000 1.176 323 I HN 0.798 nan 8.210 nan 0.000 0.446 324 E N 0.376 120.611 120.200 0.058 0.000 2.401 324 E HA 0.649 5.005 4.350 0.011 0.000 0.280 324 E C -1.876 174.753 176.600 0.049 0.000 1.039 324 E CA -0.886 55.537 56.400 0.038 0.000 0.814 324 E CB 2.042 31.729 29.700 -0.022 0.000 1.275 324 E HN 0.015 nan 8.360 nan 0.000 0.448 325 A N 2.237 125.105 122.820 0.081 0.000 2.414 325 A HA 0.712 5.039 4.320 0.011 0.000 0.306 325 A C -1.042 176.644 177.584 0.170 0.000 1.054 325 A CA -0.691 51.401 52.037 0.091 0.000 0.724 325 A CB 1.772 20.826 19.000 0.090 0.000 1.267 325 A HN 0.549 nan 8.150 nan 0.000 0.418 326 E N -0.311 119.937 120.200 0.080 0.000 2.378 326 E HA 0.841 5.198 4.350 0.011 0.000 0.265 326 E C -0.582 176.097 176.600 0.133 0.000 0.932 326 E CA -0.607 55.915 56.400 0.204 0.000 0.795 326 E CB 2.456 32.202 29.700 0.077 0.000 1.296 326 E HN 1.213 nan 8.360 nan 0.000 0.438 327 A N -0.082 122.937 122.820 0.332 0.000 2.601 327 A HA 0.717 5.044 4.320 0.011 0.000 0.291 327 A C -1.164 176.641 177.584 0.368 0.000 1.075 327 A CA -0.404 51.747 52.037 0.189 0.000 0.671 327 A CB 0.799 19.808 19.000 0.014 0.000 1.277 327 A HN 0.876 nan 8.150 nan 0.000 0.417 328 C N -0.491 118.973 119.300 0.272 0.000 3.311 328 C HA 0.816 5.283 4.460 0.011 0.000 0.325 328 C C -1.442 173.657 174.990 0.182 0.000 1.352 328 C CA -0.894 58.282 59.018 0.264 0.000 1.308 328 C CB 1.056 28.979 27.740 0.305 0.000 1.619 328 C HN 0.825 nan 8.230 nan 0.000 0.469 329 D N 0.896 121.385 120.400 0.147 0.000 2.255 329 D HA 0.605 5.252 4.640 0.011 0.000 0.249 329 D C -0.413 175.954 176.300 0.112 0.000 1.078 329 D CA 0.081 54.169 54.000 0.147 0.000 0.896 329 D CB 1.915 42.801 40.800 0.143 0.000 1.194 329 D HN 0.570 nan 8.370 nan 0.000 0.429 330 V N 0.872 120.880 119.914 0.157 0.000 2.540 330 V HA 0.641 4.767 4.120 0.011 0.000 0.302 330 V C 0.533 176.719 176.094 0.153 0.000 1.035 330 V CA -0.900 61.444 62.300 0.074 0.000 0.873 330 V CB 2.058 33.897 31.823 0.027 0.000 0.992 330 V HN 0.610 nan 8.190 nan 0.000 0.428 331 G N 3.132 111.924 108.800 -0.013 0.000 2.415 331 G HA2 0.570 4.536 3.960 0.011 0.000 0.317 331 G HA3 0.570 4.536 3.960 0.011 0.000 0.317 331 G C -0.848 174.171 174.900 0.198 0.000 1.152 331 G CA -0.339 44.820 45.100 0.098 0.000 0.956 331 G HN 0.448 nan 8.290 nan 0.000 0.458 332 F N 4.184 124.345 119.950 0.351 0.000 2.462 332 F HA 0.384 4.917 4.527 0.010 0.000 0.360 332 F C 1.190 177.243 175.800 0.422 0.000 1.134 332 F CA 0.031 58.276 58.000 0.407 0.000 1.148 332 F CB 0.559 39.799 39.000 0.400 0.000 1.147 332 F HN 0.456 nan 8.300 nan 0.000 0.550 333 R N 3.094 123.904 120.500 0.516 0.000 2.663 333 R HA 0.419 4.766 4.340 0.011 0.000 0.267 333 R C -1.858 174.573 176.300 0.218 0.000 1.038 333 R CA -0.817 55.411 56.100 0.214 0.000 0.886 333 R CB 1.644 32.109 30.300 0.275 0.000 1.249 333 R HN 0.569 nan 8.270 nan 0.000 0.463 334 E N 2.107 122.319 120.200 0.020 0.000 2.187 334 E HA 0.453 4.810 4.350 0.011 0.000 0.268 334 E C -1.239 175.430 176.600 0.115 0.000 0.896 334 E CA -0.901 55.602 56.400 0.171 0.000 0.766 334 E CB 2.115 31.959 29.700 0.240 0.000 1.142 334 E HN 0.410 nan 8.360 nan 0.000 0.408 335 V N 5.536 125.518 119.914 0.113 0.000 2.409 335 V HA 0.578 4.704 4.120 0.011 0.000 0.291 335 V C -0.123 176.011 176.094 0.067 0.000 1.020 335 V CA -0.688 61.650 62.300 0.064 0.000 0.848 335 V CB 1.012 32.851 31.823 0.027 0.000 0.990 335 V HN 0.724 nan 8.190 nan 0.000 0.430 336 R N 4.293 124.828 120.500 0.058 0.000 2.680 336 R HA 0.704 5.050 4.340 0.011 0.000 0.269 336 R C -2.080 174.245 176.300 0.041 0.000 1.026 336 R CA -0.923 55.212 56.100 0.059 0.000 0.889 336 R CB 1.972 32.320 30.300 0.080 0.000 1.241 336 R HN 0.534 nan 8.270 nan 0.000 0.463 337 I N 1.706 122.300 120.570 0.041 0.000 2.321 337 I HA 0.315 4.492 4.170 0.011 0.000 0.291 337 I C -0.475 175.662 176.117 0.034 0.000 0.998 337 I CA -0.316 61.002 61.300 0.030 0.000 1.227 337 I CB 1.690 39.709 38.000 0.032 0.000 1.368 337 I HN 0.663 nan 8.210 nan 0.000 0.466 338 E N 5.685 125.902 120.200 0.028 0.000 2.275 338 E HA 0.254 4.611 4.350 0.011 0.000 0.270 338 E C -0.172 176.441 176.600 0.022 0.000 0.882 338 E CA -0.544 55.874 56.400 0.031 0.000 0.758 338 E CB 1.027 30.751 29.700 0.039 0.000 1.195 338 E HN 0.526 nan 8.360 nan 0.000 0.419 339 N N 2.985 121.698 118.700 0.022 0.000 2.714 339 N HA -0.243 4.504 4.740 0.011 0.000 0.250 339 N C 0.410 175.926 175.510 0.010 0.000 1.117 339 N CA 1.999 55.059 53.050 0.016 0.000 0.719 339 N CB -1.144 37.351 38.487 0.014 0.000 1.081 339 N HN 0.928 nan 8.380 nan 0.000 0.557 340 G N -2.466 106.340 108.800 0.010 0.000 2.194 340 G HA2 -0.263 3.704 3.960 0.011 0.000 0.236 340 G HA3 -0.263 3.704 3.960 0.011 0.000 0.236 340 G C -0.126 174.769 174.900 -0.009 0.000 0.987 340 G CA 0.374 45.475 45.100 0.002 0.000 0.635 340 G HN 0.449 nan 8.290 nan 0.000 0.520 341 L N 0.379 121.597 121.223 -0.008 0.000 2.346 341 L HA 0.758 5.105 4.340 0.011 0.000 0.274 341 L C 0.062 176.921 176.870 -0.018 0.000 1.007 341 L CA -1.331 53.496 54.840 -0.021 0.000 0.818 341 L CB 1.869 43.915 42.059 -0.022 0.000 1.284 341 L HN 0.073 nan 8.230 nan 0.000 0.424 342 L N 4.263 125.463 121.223 -0.038 0.000 2.278 342 L HA 0.428 4.774 4.340 0.011 0.000 0.287 342 L C -0.739 176.108 176.870 -0.039 0.000 1.072 342 L CA 0.337 55.155 54.840 -0.037 0.000 0.819 342 L CB 0.258 42.279 42.059 -0.063 0.000 1.176 342 L HN 0.399 nan 8.230 nan 0.000 0.435 343 L N 6.014 127.231 121.223 -0.010 0.000 2.317 343 L HA 0.508 4.854 4.340 0.011 0.000 0.281 343 L C -0.700 176.178 176.870 0.014 0.000 1.024 343 L CA -0.815 54.029 54.840 0.005 0.000 0.810 343 L CB 1.812 43.897 42.059 0.045 0.000 1.240 343 L HN 0.534 nan 8.230 nan 0.000 0.427 344 L N 4.302 125.543 121.223 0.030 0.000 2.298 344 L HA 0.470 4.817 4.340 0.011 0.000 0.284 344 L C -0.071 176.835 176.870 0.061 0.000 1.013 344 L CA 0.025 54.898 54.840 0.055 0.000 0.824 344 L CB 0.703 42.799 42.059 0.060 0.000 1.221 344 L HN 0.597 nan 8.230 nan 0.000 0.418 345 N N 4.234 122.859 118.700 -0.124 0.000 2.727 345 N HA -0.214 4.532 4.740 0.011 0.000 0.249 345 N C 0.909 176.127 175.510 -0.487 0.000 1.048 345 N CA 1.294 53.997 53.050 -0.579 0.000 0.714 345 N CB -1.271 36.779 38.487 -0.730 0.000 0.959 345 N HN 1.185 nan 8.380 nan 0.000 0.544 346 G N -2.014 106.762 108.800 -0.041 0.000 2.179 346 G HA2 -0.348 3.619 3.960 0.011 0.000 0.260 346 G HA3 -0.348 3.619 3.960 0.011 0.000 0.260 346 G C -0.055 174.876 174.900 0.053 0.000 0.977 346 G CA 0.938 46.097 45.100 0.098 0.000 0.641 346 G HN 0.428 nan 8.290 nan 0.000 0.533 347 K N 0.701 121.128 120.400 0.044 0.000 2.259 347 K HA 0.546 4.872 4.320 0.011 0.000 0.249 347 K C -2.907 173.670 176.600 -0.039 0.000 0.942 347 K CA -2.168 54.109 56.287 -0.017 0.000 0.816 347 K CB 2.659 35.088 32.500 -0.119 0.000 1.155 347 K HN 0.045 nan 8.250 nan 0.000 0.428 348 P HA 0.207 nan 4.420 nan 0.000 0.282 348 P C -0.069 177.167 177.300 -0.107 0.000 1.274 348 P CA -0.255 62.800 63.100 -0.075 0.000 0.770 348 P CB 0.509 32.168 31.700 -0.068 0.000 0.867 349 L N 3.456 124.610 121.223 -0.114 0.000 2.464 349 L HA 0.241 4.588 4.340 0.011 0.000 0.264 349 L C 0.700 177.487 176.870 -0.138 0.000 1.199 349 L CA -0.472 54.288 54.840 -0.134 0.000 0.818 349 L CB 0.278 42.213 42.059 -0.206 0.000 1.102 349 L HN 0.285 nan 8.230 nan 0.000 0.473 350 L N 3.991 125.150 121.223 -0.106 0.000 2.401 350 L HA 0.401 4.747 4.340 0.011 0.000 0.263 350 L C -0.419 176.403 176.870 -0.080 0.000 1.004 350 L CA -0.169 54.594 54.840 -0.129 0.000 0.881 350 L CB 0.792 42.803 42.059 -0.080 0.000 1.219 350 L HN 0.254 nan 8.230 nan 0.000 0.441 351 I N 4.619 125.069 120.570 -0.200 0.000 2.494 351 I HA 0.138 4.314 4.170 0.011 0.000 0.289 351 I C 0.494 176.569 176.117 -0.069 0.000 1.106 351 I CA 0.244 61.437 61.300 -0.177 0.000 1.369 351 I CB 0.215 37.994 38.000 -0.370 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.523 352 R N 4.921 125.480 120.500 0.098 0.000 2.755 352 R HA 0.457 4.804 4.340 0.011 0.000 0.268 352 R C 0.463 176.879 176.300 0.195 0.000 1.295 352 R CA -0.265 55.940 56.100 0.175 0.000 1.379 352 R CB 1.004 31.222 30.300 -0.138 0.000 1.170 352 R HN 0.784 nan 8.270 nan 0.000 0.584 353 G N 0.184 109.088 108.800 0.173 0.000 2.597 353 G HA2 0.632 4.598 3.960 0.011 0.000 0.317 353 G HA3 0.632 4.598 3.960 0.011 0.000 0.317 353 G C -1.349 173.895 174.900 0.574 0.000 1.230 353 G CA -0.497 44.733 45.100 0.217 0.000 0.996 353 G HN 0.247 nan 8.290 nan 0.000 0.490 354 V N -0.297 119.916 119.914 0.500 0.000 3.048 354 V HA 0.488 4.614 4.120 0.011 0.000 0.303 354 V C -1.284 174.938 176.094 0.212 0.000 1.214 354 V CA -1.189 61.265 62.300 0.257 0.000 0.984 354 V CB 2.252 33.928 31.823 -0.246 0.000 1.054 354 V HN 0.780 nan 8.190 nan 0.000 0.430 355 N N 4.416 123.141 118.700 0.042 0.000 2.479 355 N HA 0.488 5.235 4.740 0.011 0.000 0.285 355 N C -0.897 174.392 175.510 -0.367 0.000 1.075 355 N CA -0.463 52.474 53.050 -0.189 0.000 0.967 355 N CB 1.702 40.042 38.487 -0.244 0.000 1.137 355 N HN 0.622 nan 8.380 nan 0.000 0.472 356 R N 2.157 122.413 120.500 -0.407 0.000 2.515 356 R HA 0.219 4.566 4.340 0.011 0.000 0.291 356 R C -1.194 174.845 176.300 -0.434 0.000 1.046 356 R CA -0.522 55.359 56.100 -0.364 0.000 0.914 356 R CB 0.973 31.063 30.300 -0.350 0.000 1.191 356 R HN 0.604 nan 8.270 nan 0.000 0.435 357 H N 2.104 121.008 119.070 -0.277 0.000 2.488 357 H HA 0.166 4.729 4.556 0.011 0.000 0.347 357 H C -0.463 174.835 175.328 -0.050 0.000 1.174 357 H CA -0.077 55.892 56.048 -0.131 0.000 1.307 357 H CB 1.563 31.311 29.762 -0.023 0.000 1.517 357 H HN 0.561 nan 8.280 nan 0.000 0.554 358 E N 1.939 122.299 120.200 0.267 0.000 1.924 358 E HA 0.083 4.440 4.350 0.011 0.000 0.261 358 E C -0.670 176.050 176.600 0.201 0.000 1.088 358 E CA -0.092 56.395 56.400 0.144 0.000 0.909 358 E CB 0.128 29.928 29.700 0.167 0.000 1.112 358 E HN 0.337 nan 8.360 nan 0.000 0.425 359 H N 1.416 120.531 119.070 0.075 0.000 2.637 359 H HA 0.305 4.867 4.556 0.011 0.000 0.363 359 H C -1.487 173.886 175.328 0.075 0.000 1.131 359 H CA -0.673 55.413 56.048 0.063 0.000 1.183 359 H CB 1.094 30.877 29.762 0.035 0.000 1.637 359 H HN 0.340 nan 8.280 nan 0.000 0.531 360 H N 6.120 124.683 119.070 -0.844 0.000 2.934 360 H HA 0.195 4.758 4.556 0.011 0.000 0.340 360 H C -2.366 172.555 175.328 -0.679 0.000 1.008 360 H CA -2.248 53.495 56.048 -0.508 0.000 1.317 360 H CB 2.608 32.256 29.762 -0.189 0.000 1.670 360 H HN 0.547 nan 8.280 nan 0.000 0.516 361 P HA -0.080 nan 4.420 nan 0.000 0.222 361 P C 1.220 178.410 177.300 -0.183 0.000 1.147 361 P CA 0.702 63.630 63.100 -0.286 0.000 0.790 361 P CB 0.925 32.490 31.700 -0.224 0.000 0.780 362 L N -1.763 119.472 121.223 0.020 0.000 2.347 362 L HA 0.097 4.444 4.340 0.011 0.000 0.196 362 L C 2.251 179.015 176.870 -0.178 0.000 1.072 362 L CA 0.747 55.526 54.840 -0.103 0.000 0.817 362 L CB -0.559 41.306 42.059 -0.324 0.000 1.029 362 L HN -0.024 nan 8.230 nan 0.000 0.478 363 H N -0.677 118.426 119.070 0.056 0.000 2.539 363 H HA 0.198 4.761 4.556 0.011 0.000 0.269 363 H C 1.423 176.656 175.328 -0.157 0.000 0.980 363 H CA 0.201 56.147 56.048 -0.170 0.000 1.152 363 H CB 0.349 29.869 29.762 -0.404 0.000 1.407 363 H HN 0.451 nan 8.280 nan 0.000 0.564 364 G N 1.528 110.261 108.800 -0.111 0.000 2.601 364 G HA2 -0.420 3.547 3.960 0.011 0.000 0.306 364 G HA3 -0.420 3.547 3.960 0.011 0.000 0.306 364 G C 0.797 175.610 174.900 -0.145 0.000 1.172 364 G CA 0.566 45.539 45.100 -0.210 0.000 0.966 364 G HN 0.487 nan 8.290 nan 0.000 0.542 365 Q N -0.042 119.694 119.800 -0.106 0.000 2.247 365 Q HA 0.483 4.830 4.340 0.011 0.000 0.204 365 Q C 0.403 176.473 176.000 0.117 0.000 0.872 365 Q CA -0.102 55.673 55.803 -0.047 0.000 0.951 365 Q CB 1.319 29.928 28.738 -0.215 0.000 1.099 365 Q HN 0.352 nan 8.270 nan 0.000 0.501 366 V N 2.068 122.035 119.914 0.088 0.000 2.488 366 V HA 0.148 4.275 4.120 0.011 0.000 0.277 366 V C 0.117 176.246 176.094 0.058 0.000 1.046 366 V CA 0.144 62.505 62.300 0.102 0.000 0.986 366 V CB 1.009 32.827 31.823 -0.009 0.000 0.989 366 V HN 0.328 nan 8.190 nan 0.000 0.475 367 M N 4.796 124.439 119.600 0.072 0.000 2.404 367 M HA 0.472 4.959 4.480 0.011 0.000 0.338 367 M C -0.525 175.712 176.300 -0.106 0.000 1.150 367 M CA -0.706 54.587 55.300 -0.011 0.000 1.016 367 M CB 1.513 34.082 32.600 -0.053 0.000 1.672 367 M HN 0.939 nan 8.290 nan 0.000 0.448 368 D N -0.965 119.384 120.400 -0.086 0.000 2.601 368 D HA 0.289 4.935 4.640 0.011 0.000 0.230 368 D C 0.409 176.686 176.300 -0.037 0.000 1.106 368 D CA -0.687 53.267 54.000 -0.076 0.000 0.873 368 D CB 1.581 42.362 40.800 -0.030 0.000 1.515 368 D HN 0.649 nan 8.370 nan 0.000 0.468 369 E N 0.067 120.254 120.200 -0.020 0.000 2.033 369 E HA -0.364 3.993 4.350 0.011 0.000 0.199 369 E C 1.672 178.316 176.600 0.073 0.000 1.011 369 E CA 1.501 57.923 56.400 0.036 0.000 0.815 369 E CB 0.073 29.808 29.700 0.059 0.000 0.755 369 E HN 0.623 nan 8.360 nan 0.000 0.451 370 Q N -0.402 119.443 119.800 0.075 0.000 2.112 370 Q HA -0.185 4.161 4.340 0.011 0.000 0.206 370 Q C 2.109 178.170 176.000 0.102 0.000 0.987 370 Q CA 2.297 58.153 55.803 0.089 0.000 0.858 370 Q CB -0.126 28.664 28.738 0.088 0.000 0.905 370 Q HN 0.345 nan 8.270 nan 0.000 0.420 371 T N 0.770 115.391 114.554 0.112 0.000 2.777 371 T HA -0.105 4.252 4.350 0.011 0.000 0.266 371 T C 1.901 176.681 174.700 0.133 0.000 1.040 371 T CA 1.346 63.527 62.100 0.134 0.000 1.141 371 T CB -0.134 68.839 68.868 0.175 0.000 0.868 371 T HN 0.281 nan 8.240 nan 0.000 0.444 372 M N 0.596 120.276 119.600 0.133 0.000 2.065 372 M HA -0.105 4.382 4.480 0.011 0.000 0.259 372 M C 2.489 178.909 176.300 0.199 0.000 1.069 372 M CA 1.388 56.840 55.300 0.254 0.000 1.110 372 M CB -0.681 32.105 32.600 0.310 0.000 1.328 372 M HN 0.077 nan 8.290 nan 0.000 0.405 373 V N 0.429 120.401 119.914 0.096 0.000 2.332 373 V HA -0.323 3.803 4.120 0.011 0.000 0.248 373 V C 2.373 178.443 176.094 -0.039 0.000 1.055 373 V CA 2.280 64.568 62.300 -0.019 0.000 1.038 373 V CB -0.920 30.932 31.823 0.048 0.000 0.651 373 V HN 0.593 nan 8.190 nan 0.000 0.450 374 Q N -0.496 119.336 119.800 0.054 0.000 2.079 374 Q HA -0.250 4.096 4.340 0.011 0.000 0.200 374 Q C 1.933 177.999 176.000 0.111 0.000 0.974 374 Q CA 1.991 57.843 55.803 0.081 0.000 0.840 374 Q CB -0.139 28.666 28.738 0.111 0.000 0.898 374 Q HN 0.607 nan 8.270 nan 0.000 0.430 375 D N 0.555 121.038 120.400 0.140 0.000 2.097 375 D HA -0.127 4.519 4.640 0.011 0.000 0.195 375 D C 1.980 178.243 176.300 -0.061 0.000 0.989 375 D CA 1.218 55.306 54.000 0.147 0.000 0.827 375 D CB -0.190 40.690 40.800 0.133 0.000 0.966 375 D HN 0.356 nan 8.370 nan 0.000 0.456 376 I N 0.803 121.318 120.570 -0.092 0.000 2.163 376 I HA -0.264 3.913 4.170 0.011 0.000 0.243 376 I C 2.419 178.391 176.117 -0.242 0.000 1.085 376 I CA 0.808 61.940 61.300 -0.280 0.000 1.347 376 I CB -0.307 37.396 38.000 -0.496 0.000 1.044 376 I HN 0.002 nan 8.210 nan 0.000 0.408 377 L N 0.116 121.230 121.223 -0.182 0.000 2.046 377 L HA -0.222 4.124 4.340 0.011 0.000 0.208 377 L C 2.580 179.512 176.870 0.102 0.000 1.077 377 L CA 1.321 56.147 54.840 -0.024 0.000 0.747 377 L CB -0.720 41.357 42.059 0.030 0.000 0.896 377 L HN 0.289 nan 8.230 nan 0.000 0.432 378 L N -0.767 120.536 121.223 0.133 0.000 2.046 378 L HA -0.222 4.125 4.340 0.011 0.000 0.208 378 L C 2.750 179.781 176.870 0.267 0.000 1.077 378 L CA 1.354 56.354 54.840 0.266 0.000 0.747 378 L CB -0.286 42.032 42.059 0.430 0.000 0.896 378 L HN 0.273 nan 8.230 nan 0.000 0.432 379 M N -0.576 119.021 119.600 -0.006 0.000 2.065 379 M HA -0.281 4.206 4.480 0.011 0.000 0.259 379 M C 2.298 178.689 176.300 0.152 0.000 1.071 379 M CA 1.937 57.165 55.300 -0.120 0.000 1.109 379 M CB -0.482 31.802 32.600 -0.527 0.000 1.313 379 M HN 0.068 nan 8.290 nan 0.000 0.408 380 K N 0.070 120.451 120.400 -0.031 0.000 2.063 380 K HA -0.214 4.112 4.320 0.011 0.000 0.208 380 K C 2.000 178.588 176.600 -0.020 0.000 1.048 380 K CA 1.585 57.750 56.287 -0.203 0.000 0.928 380 K CB -0.294 31.869 32.500 -0.560 0.000 0.713 380 K HN 0.448 nan 8.250 nan 0.000 0.442 381 Q N 0.240 120.195 119.800 0.259 0.000 2.364 381 Q HA -0.040 4.307 4.340 0.011 0.000 0.207 381 Q C 0.702 177.004 176.000 0.504 0.000 0.970 381 Q CA 0.714 56.816 55.803 0.498 0.000 0.888 381 Q CB 0.177 29.203 28.738 0.479 0.000 0.951 381 Q HN 0.251 nan 8.270 nan 0.000 0.469 382 N N 0.544 119.490 118.700 0.411 0.000 2.321 382 N HA 0.061 4.808 4.740 0.011 0.000 0.242 382 N C -0.713 174.933 175.510 0.227 0.000 1.141 382 N CA 0.045 53.332 53.050 0.395 0.000 0.864 382 N CB 0.742 39.528 38.487 0.499 0.000 1.100 382 N HN 0.173 nan 8.380 nan 0.000 0.510 383 N N -0.070 118.759 118.700 0.214 0.000 2.800 383 N HA -0.193 4.553 4.740 0.011 0.000 0.250 383 N C -0.658 174.783 175.510 -0.116 0.000 1.078 383 N CA 0.777 53.886 53.050 0.098 0.000 0.804 383 N CB -1.774 36.677 38.487 -0.059 0.000 1.135 383 N HN 0.248 nan 8.380 nan 0.000 0.565 384 F N 1.446 121.418 119.950 0.037 0.000 2.389 384 F HA 0.284 4.817 4.527 0.011 0.000 0.337 384 F C 1.816 177.618 175.800 0.004 0.000 1.112 384 F CA -0.355 57.651 58.000 0.009 0.000 1.192 384 F CB 0.730 39.704 39.000 -0.044 0.000 1.185 384 F HN 0.056 nan 8.300 nan 0.000 0.552 385 N N 0.541 119.365 118.700 0.206 0.000 2.143 385 N HA 0.411 5.157 4.740 0.011 0.000 0.222 385 N C -0.867 174.698 175.510 0.091 0.000 1.264 385 N CA 0.001 53.102 53.050 0.085 0.000 0.897 385 N CB 0.717 39.295 38.487 0.152 0.000 1.092 385 N HN 0.455 nan 8.380 nan 0.000 0.516 386 A N -0.385 122.569 122.820 0.223 0.000 2.594 386 A HA 0.756 5.082 4.320 0.011 0.000 0.295 386 A C -1.750 176.065 177.584 0.385 0.000 1.071 386 A CA -0.732 51.499 52.037 0.323 0.000 0.685 386 A CB 1.936 21.163 19.000 0.378 0.000 1.285 386 A HN 0.185 nan 8.150 nan 0.000 0.405 387 V N 1.655 121.823 119.914 0.424 0.000 2.841 387 V HA 0.781 4.907 4.120 0.011 0.000 0.310 387 V C -0.626 175.578 176.094 0.183 0.000 1.090 387 V CA -0.717 61.773 62.300 0.317 0.000 0.930 387 V CB 1.854 33.794 31.823 0.194 0.000 1.014 387 V HN 1.081 nan 8.190 nan 0.000 0.425 388 R N 5.020 125.467 120.500 -0.087 0.000 2.445 388 R HA 0.448 4.795 4.340 0.011 0.000 0.308 388 R C -0.720 175.425 176.300 -0.259 0.000 0.961 388 R CA -0.509 55.370 56.100 -0.367 0.000 0.862 388 R CB 1.223 31.028 30.300 -0.825 0.000 1.144 388 R HN 0.795 nan 8.270 nan 0.000 0.447 389 C N 4.295 123.476 119.300 -0.197 0.000 3.424 389 C HA 0.093 4.559 4.460 0.011 0.000 0.577 389 C C 0.595 175.297 174.990 -0.480 0.000 1.086 389 C CA -0.337 58.523 59.018 -0.264 0.000 1.153 389 C CB -2.145 25.565 27.740 -0.051 0.000 1.411 389 C HN 0.687 nan 8.230 nan 0.000 0.636 390 S N 1.191 116.480 115.700 -0.686 0.000 2.498 390 S HA 0.154 4.630 4.470 0.011 0.000 0.281 390 S C -0.089 173.594 174.600 -1.528 0.000 1.265 390 S CA 0.153 57.672 58.200 -1.135 0.000 1.071 390 S CB 0.156 62.603 63.200 -1.255 0.000 0.894 390 S HN 0.716 nan 8.310 nan 0.000 0.491 391 H N 3.841 122.323 119.070 -0.980 0.000 2.439 391 H HA 0.341 4.903 4.556 0.011 0.000 0.230 391 H C -1.034 174.205 175.328 -0.148 0.000 1.420 391 H CA -0.331 55.523 56.048 -0.324 0.000 1.305 391 H CB -0.203 29.576 29.762 0.028 0.000 1.667 391 H HN 0.896 nan 8.280 nan 0.000 0.515 392 Y N -2.921 117.484 120.300 0.175 0.000 2.889 392 Y HA 0.347 4.904 4.550 0.012 0.000 0.379 392 Y C -3.359 172.650 175.900 0.182 0.000 1.179 392 Y CA -3.034 55.180 58.100 0.190 0.000 1.178 392 Y CB -0.120 38.458 38.460 0.197 0.000 1.460 392 Y HN -0.096 nan 8.280 nan 0.000 0.472 393 P HA 0.160 nan 4.420 nan 0.000 0.268 393 P C -0.684 176.928 177.300 0.521 0.000 1.204 393 P CA 0.298 63.674 63.100 0.459 0.000 0.768 393 P CB 0.533 32.425 31.700 0.321 0.000 0.842 394 N N 0.593 119.599 118.700 0.510 0.000 2.478 394 N HA 0.107 4.854 4.740 0.011 0.000 0.275 394 N C 0.048 175.799 175.510 0.401 0.000 1.221 394 N CA -0.643 52.606 53.050 0.331 0.000 0.979 394 N CB 0.430 38.880 38.487 -0.062 0.000 1.202 394 N HN 0.587 nan 8.380 nan 0.000 0.564 395 H N 2.433 121.604 119.070 0.168 0.000 3.125 395 H HA -0.016 4.546 4.556 0.011 0.000 0.310 395 H C -1.585 173.911 175.328 0.279 0.000 0.980 395 H CA -0.720 55.420 56.048 0.154 0.000 1.422 395 H CB 0.899 30.710 29.762 0.083 0.000 1.432 395 H HN 0.438 nan 8.280 nan 0.000 0.577 396 P HA -0.245 nan 4.420 nan 0.000 0.218 396 P C 1.871 179.483 177.300 0.520 0.000 1.152 396 P CA 0.812 64.172 63.100 0.434 0.000 0.857 396 P CB 0.204 32.015 31.700 0.185 0.000 0.787 397 L N -0.875 120.725 121.223 0.629 0.000 2.127 397 L HA -0.097 4.250 4.340 0.011 0.000 0.211 397 L C 2.426 179.481 176.870 0.308 0.000 1.089 397 L CA 1.541 56.639 54.840 0.431 0.000 0.757 397 L CB -1.586 40.674 42.059 0.335 0.000 0.899 397 L HN 0.061 nan 8.230 nan 0.000 0.434 398 W N -0.550 120.775 121.300 0.042 0.000 2.321 398 W HA -0.348 4.318 4.660 0.010 0.000 0.306 398 W C 2.183 178.559 176.519 -0.238 0.000 1.217 398 W CA 2.010 59.250 57.345 -0.176 0.000 1.257 398 W CB -0.405 28.841 29.460 -0.357 0.000 1.145 398 W HN 0.277 nan 8.180 nan 0.000 0.509 399 Y N 0.757 121.001 120.300 -0.092 0.000 2.128 399 Y HA -0.265 4.292 4.550 0.011 0.000 0.284 399 Y C 2.905 178.552 175.900 -0.421 0.000 1.154 399 Y CA 2.380 60.192 58.100 -0.480 0.000 1.149 399 Y CB -1.300 36.574 38.460 -0.977 0.000 0.976 399 Y HN -0.224 nan 8.280 nan 0.000 0.505 400 T N 0.774 115.329 114.554 0.002 0.000 2.684 400 T HA -0.184 4.173 4.350 0.011 0.000 0.267 400 T C 2.006 176.751 174.700 0.074 0.000 1.036 400 T CA 1.560 63.761 62.100 0.168 0.000 1.148 400 T CB -0.607 68.411 68.868 0.251 0.000 0.863 400 T HN 0.211 nan 8.240 nan 0.000 0.436 401 L N 0.391 121.622 121.223 0.013 0.000 2.017 401 L HA -0.128 4.218 4.340 0.011 0.000 0.208 401 L C 2.961 179.818 176.870 -0.022 0.000 1.073 401 L CA 1.061 55.930 54.840 0.048 0.000 0.745 401 L CB -0.830 41.223 42.059 -0.011 0.000 0.894 401 L HN 0.377 nan 8.230 nan 0.000 0.432 402 C N -0.180 118.932 119.300 -0.313 0.000 2.413 402 C HA -0.181 4.286 4.460 0.011 0.000 0.276 402 C C 2.444 177.467 174.990 0.055 0.000 1.248 402 C CA 0.593 59.451 59.018 -0.266 0.000 1.742 402 C CB -0.883 26.591 27.740 -0.443 0.000 2.017 402 C HN 0.544 nan 8.230 nan 0.000 0.481 403 D N 0.304 120.744 120.400 0.066 0.000 2.123 403 D HA -0.105 4.542 4.640 0.011 0.000 0.196 403 D C 2.400 178.890 176.300 0.317 0.000 0.992 403 D CA 1.256 55.372 54.000 0.193 0.000 0.833 403 D CB -0.287 40.602 40.800 0.147 0.000 0.954 403 D HN 0.550 nan 8.370 nan 0.000 0.455 404 R N -1.218 119.373 120.500 0.152 0.000 2.112 404 R HA 0.044 4.391 4.340 0.011 0.000 0.216 404 R C 2.015 178.273 176.300 -0.069 0.000 1.080 404 R CA 0.476 56.600 56.100 0.041 0.000 0.996 404 R CB -0.187 30.072 30.300 -0.068 0.000 0.902 404 R HN 0.266 nan 8.270 nan 0.000 0.449 405 Y N 0.274 120.577 120.300 0.004 0.000 2.490 405 Y HA 0.192 4.749 4.550 0.011 0.000 0.285 405 Y C 0.909 176.731 175.900 -0.130 0.000 1.117 405 Y CA 0.697 58.773 58.100 -0.040 0.000 1.262 405 Y CB 0.727 39.132 38.460 -0.092 0.000 1.043 405 Y HN 0.229 nan 8.280 nan 0.000 0.553 406 G N 1.361 110.198 108.800 0.061 0.000 2.929 406 G HA2 -0.173 3.794 3.960 0.011 0.000 0.335 406 G HA3 -0.173 3.794 3.960 0.011 0.000 0.335 406 G C -1.171 173.592 174.900 -0.229 0.000 1.054 406 G CA -0.543 44.489 45.100 -0.115 0.000 1.067 406 G HN 0.169 nan 8.290 nan 0.000 0.472 407 L N 1.444 122.604 121.223 -0.105 0.000 2.431 407 L HA 0.489 4.835 4.340 0.011 0.000 0.266 407 L C 0.061 176.932 176.870 0.002 0.000 0.978 407 L CA -1.319 53.415 54.840 -0.177 0.000 0.822 407 L CB 1.963 43.920 42.059 -0.171 0.000 1.310 407 L HN 0.504 nan 8.230 nan 0.000 0.409 408 Y N 1.967 122.400 120.300 0.222 0.000 2.442 408 Y HA 0.331 4.889 4.550 0.014 0.000 0.330 408 Y C 0.237 176.260 175.900 0.204 0.000 1.129 408 Y CA -0.560 57.700 58.100 0.267 0.000 1.365 408 Y CB 1.040 39.640 38.460 0.234 0.000 1.233 408 Y HN 0.161 nan 8.280 nan 0.000 0.529 409 V N 4.360 124.454 119.914 0.299 0.000 2.604 409 V HA 0.334 4.460 4.120 0.011 0.000 0.305 409 V C -0.574 175.597 176.094 0.129 0.000 1.043 409 V CA -1.040 61.377 62.300 0.196 0.000 0.888 409 V CB 1.995 33.899 31.823 0.135 0.000 0.995 409 V HN 0.452 nan 8.190 nan 0.000 0.429 410 V N 3.071 123.033 119.914 0.080 0.000 2.333 410 V HA 0.338 4.465 4.120 0.011 0.000 0.274 410 V C -0.379 175.746 176.094 0.053 0.000 1.028 410 V CA -0.343 61.955 62.300 -0.005 0.000 0.851 410 V CB 1.445 33.161 31.823 -0.179 0.000 1.000 410 V HN 0.874 nan 8.190 nan 0.000 0.456 411 D N 4.228 124.695 120.400 0.113 0.000 2.274 411 D HA 0.314 4.960 4.640 0.011 0.000 0.239 411 D C -0.239 176.259 176.300 0.330 0.000 1.104 411 D CA -0.094 54.073 54.000 0.278 0.000 0.840 411 D CB 1.283 42.279 40.800 0.326 0.000 1.100 411 D HN 0.679 nan 8.370 nan 0.000 0.477 412 E N 1.944 122.302 120.200 0.263 0.000 2.187 412 E HA 0.624 4.981 4.350 0.011 0.000 0.268 412 E C -0.961 175.786 176.600 0.245 0.000 0.896 412 E CA -1.037 55.504 56.400 0.234 0.000 0.766 412 E CB 1.334 31.125 29.700 0.150 0.000 1.142 412 E HN 0.457 nan 8.360 nan 0.000 0.408 413 A N 3.880 126.838 122.820 0.230 0.000 2.445 413 A HA 0.069 4.396 4.320 0.011 0.000 0.242 413 A C 0.314 178.034 177.584 0.226 0.000 1.075 413 A CA -0.254 51.898 52.037 0.192 0.000 0.777 413 A CB 0.161 19.240 19.000 0.131 0.000 1.013 413 A HN 0.717 nan 8.150 nan 0.000 0.493 414 N N 1.121 119.957 118.700 0.227 0.000 2.971 414 N HA 0.262 5.009 4.740 0.011 0.000 0.294 414 N C -1.028 174.615 175.510 0.222 0.000 1.210 414 N CA 0.288 53.504 53.050 0.276 0.000 1.157 414 N CB -0.848 37.800 38.487 0.268 0.000 1.450 414 N HN 0.473 nan 8.380 nan 0.000 0.527 415 I N 0.951 121.651 120.570 0.217 0.000 2.529 415 I HA 0.252 4.428 4.170 0.011 0.000 0.284 415 I C -0.707 175.514 176.117 0.175 0.000 1.088 415 I CA -0.629 60.777 61.300 0.176 0.000 1.062 415 I CB 1.882 39.961 38.000 0.131 0.000 1.218 415 I HN 0.247 nan 8.210 nan 0.000 0.442 416 E N 4.250 124.546 120.200 0.159 0.000 2.294 416 E HA 0.342 4.699 4.350 0.011 0.000 0.272 416 E C -0.532 176.131 176.600 0.105 0.000 0.896 416 E CA -0.477 55.988 56.400 0.108 0.000 0.802 416 E CB 1.589 31.332 29.700 0.072 0.000 1.267 416 E HN 0.609 nan 8.360 nan 0.000 0.406 417 T N 0.723 115.328 114.554 0.086 0.000 3.308 417 T HA 0.157 4.514 4.350 0.011 0.000 0.270 417 T C 0.987 175.734 174.700 0.079 0.000 0.992 417 T CA -0.245 61.927 62.100 0.121 0.000 0.931 417 T CB -0.306 68.609 68.868 0.077 0.000 1.142 417 T HN 0.671 nan 8.240 nan 0.000 0.525 418 H N 1.472 120.463 119.070 -0.131 0.000 2.297 418 H HA -0.169 4.394 4.556 0.012 0.000 0.289 418 H C 2.395 177.594 175.328 -0.216 0.000 1.105 418 H CA 1.585 57.518 56.048 -0.192 0.000 1.219 418 H CB -0.342 29.276 29.762 -0.239 0.000 1.351 418 H HN 0.581 nan 8.280 nan 0.000 0.481 419 G N 0.563 109.192 108.800 -0.285 0.000 2.535 419 G HA2 -0.122 3.845 3.960 0.011 0.000 0.218 419 G HA3 -0.122 3.845 3.960 0.011 0.000 0.218 419 G C 0.615 175.604 174.900 0.148 0.000 1.122 419 G CA 0.143 45.109 45.100 -0.223 0.000 0.769 419 G HN 0.185 nan 8.290 nan 0.000 0.549 420 M N 0.186 119.918 119.600 0.221 0.000 2.207 420 M HA 0.274 4.760 4.480 0.011 0.000 0.311 420 M C -0.369 175.967 176.300 0.061 0.000 1.127 420 M CA 0.035 55.428 55.300 0.155 0.000 1.181 420 M CB 1.261 33.909 32.600 0.080 0.000 1.409 420 M HN -0.197 nan 8.290 nan 0.000 0.461 421 V N 3.240 123.173 119.914 0.032 0.000 2.447 421 V HA 0.335 4.461 4.120 0.011 0.000 0.292 421 V C -1.999 174.092 176.094 -0.004 0.000 1.021 421 V CA -1.321 60.983 62.300 0.007 0.000 0.850 421 V CB 1.601 33.424 31.823 -0.001 0.000 1.005 421 V HN 0.715 nan 8.190 nan 0.000 0.426 422 P HA 0.265 nan 4.420 nan 0.000 0.277 422 P C 1.050 178.356 177.300 0.010 0.000 1.276 422 P CA -0.523 62.577 63.100 0.001 0.000 0.788 422 P CB 0.983 32.685 31.700 0.003 0.000 1.114 423 M N 0.452 120.063 119.600 0.019 0.000 2.213 423 M HA -0.163 4.323 4.480 0.011 0.000 0.263 423 M C 1.178 177.501 176.300 0.039 0.000 1.062 423 M CA 1.800 57.121 55.300 0.034 0.000 1.105 423 M CB -0.485 32.130 32.600 0.025 0.000 1.385 423 M HN 0.352 nan 8.290 nan 0.000 0.417 424 N N -0.050 118.673 118.700 0.039 0.000 2.362 424 N HA -0.078 4.668 4.740 0.011 0.000 0.204 424 N C 1.108 176.601 175.510 -0.028 0.000 1.166 424 N CA 0.197 53.268 53.050 0.035 0.000 0.831 424 N CB -0.730 37.795 38.487 0.064 0.000 1.008 424 N HN 0.352 nan 8.380 nan 0.000 0.472 425 R N 0.276 120.749 120.500 -0.045 0.000 2.103 425 R HA -0.024 4.323 4.340 0.011 0.000 0.242 425 R C 1.490 177.698 176.300 -0.153 0.000 1.142 425 R CA 1.445 57.496 56.100 -0.082 0.000 0.960 425 R CB -0.007 30.244 30.300 -0.081 0.000 0.858 425 R HN 0.299 nan 8.270 nan 0.000 0.439 426 L N -1.016 120.063 121.223 -0.239 0.000 2.145 426 L HA -0.011 4.336 4.340 0.011 0.000 0.201 426 L C 2.468 179.206 176.870 -0.220 0.000 1.075 426 L CA 1.274 55.870 54.840 -0.406 0.000 0.773 426 L CB -0.634 40.967 42.059 -0.763 0.000 0.936 426 L HN 0.338 nan 8.230 nan 0.000 0.451 427 T N -3.894 110.549 114.554 -0.186 0.000 3.025 427 T HA -0.205 4.152 4.350 0.011 0.000 0.270 427 T C 1.172 175.768 174.700 -0.173 0.000 1.126 427 T CA 1.456 63.422 62.100 -0.223 0.000 1.105 427 T CB -0.314 68.368 68.868 -0.310 0.000 0.884 427 T HN 0.143 nan 8.240 nan 0.000 0.522 428 D N 1.012 121.351 120.400 -0.103 0.000 2.363 428 D HA 0.127 4.774 4.640 0.011 0.000 0.214 428 D C -0.365 175.909 176.300 -0.043 0.000 1.093 428 D CA -0.312 53.641 54.000 -0.079 0.000 0.837 428 D CB 0.041 40.804 40.800 -0.062 0.000 0.948 428 D HN 0.360 nan 8.370 nan 0.000 0.507 429 D N -0.240 120.150 120.400 -0.017 0.000 2.256 429 D HA 0.158 4.805 4.640 0.011 0.000 0.240 429 D C -1.692 174.645 176.300 0.063 0.000 1.062 429 D CA -2.275 51.747 54.000 0.037 0.000 0.832 429 D CB 2.220 43.071 40.800 0.085 0.000 1.135 429 D HN -0.092 nan 8.370 nan 0.000 0.484 430 P HA -0.105 nan 4.420 nan 0.000 0.220 430 P C 0.937 178.238 177.300 0.002 0.000 1.148 430 P CA 0.760 63.865 63.100 0.008 0.000 0.803 430 P CB 0.311 32.007 31.700 -0.008 0.000 0.782 431 R N -1.900 118.610 120.500 0.016 0.000 2.237 431 R HA -0.064 4.283 4.340 0.011 0.000 0.219 431 R C 1.449 177.653 176.300 -0.159 0.000 1.080 431 R CA 1.031 57.085 56.100 -0.078 0.000 0.995 431 R CB -0.496 29.750 30.300 -0.091 0.000 0.875 431 R HN 0.325 nan 8.270 nan 0.000 0.462 432 W N -0.327 120.914 121.300 -0.099 0.000 3.127 432 W HA 0.156 4.822 4.660 0.011 0.000 0.344 432 W C 1.410 177.865 176.519 -0.107 0.000 1.151 432 W CA -0.529 56.755 57.345 -0.101 0.000 1.765 432 W CB 0.199 29.596 29.460 -0.106 0.000 1.085 432 W HN -0.005 nan 8.180 nan 0.000 0.596 433 L N 2.061 123.311 121.223 0.045 0.000 2.046 433 L HA -0.051 4.296 4.340 0.011 0.000 0.208 433 L C -0.699 176.134 176.870 -0.062 0.000 1.077 433 L CA 2.245 57.072 54.840 -0.023 0.000 0.747 433 L CB -1.522 40.513 42.059 -0.041 0.000 0.896 433 L HN -0.238 nan 8.230 nan 0.000 0.432 434 P HA -0.156 nan 4.420 nan 0.000 0.215 434 P C 1.580 178.822 177.300 -0.096 0.000 1.157 434 P CA 2.143 65.178 63.100 -0.108 0.000 0.868 434 P CB -0.217 31.409 31.700 -0.124 0.000 0.788 435 A N -1.152 121.624 122.820 -0.074 0.000 1.902 435 A HA -0.186 4.141 4.320 0.011 0.000 0.217 435 A C 2.267 179.859 177.584 0.014 0.000 1.181 435 A CA 1.837 53.863 52.037 -0.018 0.000 0.623 435 A CB -1.449 17.574 19.000 0.037 0.000 0.818 435 A HN 0.098 nan 8.150 nan 0.000 0.443 436 M N 0.097 119.714 119.600 0.029 0.000 2.099 436 M HA -0.156 4.330 4.480 0.011 0.000 0.262 436 M C 2.634 178.879 176.300 -0.092 0.000 1.067 436 M CA 1.752 57.049 55.300 -0.006 0.000 1.124 436 M CB -0.400 32.182 32.600 -0.030 0.000 1.353 436 M HN 0.692 nan 8.290 nan 0.000 0.410 437 S N 0.636 116.253 115.700 -0.139 0.000 2.368 437 S HA -0.252 4.225 4.470 0.011 0.000 0.226 437 S C 1.605 176.034 174.600 -0.285 0.000 1.044 437 S CA 1.915 59.964 58.200 -0.252 0.000 1.062 437 S CB -0.834 62.200 63.200 -0.277 0.000 0.931 437 S HN 0.537 nan 8.310 nan 0.000 0.440 438 E N 0.945 121.023 120.200 -0.203 0.000 2.160 438 E HA -0.150 4.207 4.350 0.011 0.000 0.195 438 E C 2.455 178.966 176.600 -0.149 0.000 0.991 438 E CA 1.146 57.435 56.400 -0.184 0.000 0.810 438 E CB -0.196 29.433 29.700 -0.118 0.000 0.742 438 E HN 0.587 nan 8.360 nan 0.000 0.466 439 R N 0.067 120.511 120.500 -0.094 0.000 2.115 439 R HA -0.088 4.258 4.340 0.011 0.000 0.230 439 R C 2.263 178.524 176.300 -0.065 0.000 1.111 439 R CA 0.790 56.868 56.100 -0.037 0.000 0.976 439 R CB 0.051 30.369 30.300 0.028 0.000 0.870 439 R HN 0.030 nan 8.270 nan 0.000 0.445 440 V N -0.002 119.828 119.914 -0.141 0.000 2.374 440 V HA -0.177 3.950 4.120 0.011 0.000 0.241 440 V C 2.487 178.411 176.094 -0.284 0.000 1.034 440 V CA 2.030 64.228 62.300 -0.170 0.000 1.037 440 V CB -0.371 31.350 31.823 -0.170 0.000 0.682 440 V HN 0.515 nan 8.190 nan 0.000 0.463 441 T N -0.363 113.897 114.554 -0.491 0.000 2.684 441 T HA -0.290 4.067 4.350 0.011 0.000 0.267 441 T C 1.955 176.500 174.700 -0.258 0.000 1.036 441 T CA 1.709 63.436 62.100 -0.623 0.000 1.148 441 T CB -0.459 67.883 68.868 -0.877 0.000 0.863 441 T HN 0.404 nan 8.240 nan 0.000 0.436 442 R N 0.301 120.667 120.500 -0.224 0.000 2.115 442 R HA 0.145 4.492 4.340 0.011 0.000 0.230 442 R C 2.714 178.928 176.300 -0.143 0.000 1.111 442 R CA 1.518 57.521 56.100 -0.161 0.000 0.976 442 R CB -0.480 29.735 30.300 -0.142 0.000 0.870 442 R HN 0.519 nan 8.270 nan 0.000 0.445 443 M N 0.691 120.214 119.600 -0.127 0.000 2.099 443 M HA -0.148 4.339 4.480 0.011 0.000 0.262 443 M C 1.919 178.117 176.300 -0.170 0.000 1.067 443 M CA 1.688 56.939 55.300 -0.081 0.000 1.124 443 M CB 0.036 32.635 32.600 -0.002 0.000 1.353 443 M HN -0.030 nan 8.290 nan 0.000 0.410 444 V N 1.181 120.873 119.914 -0.369 0.000 2.295 444 V HA -0.305 3.822 4.120 0.011 0.000 0.246 444 V C 2.281 178.229 176.094 -0.244 0.000 1.049 444 V CA 2.163 64.110 62.300 -0.589 0.000 1.024 444 V CB -1.020 30.441 31.823 -0.604 0.000 0.648 444 V HN 0.601 nan 8.190 nan 0.000 0.447 445 Q N -0.684 119.022 119.800 -0.155 0.000 2.226 445 Q HA -0.222 4.125 4.340 0.011 0.000 0.204 445 Q C 2.437 178.343 176.000 -0.157 0.000 0.975 445 Q CA 1.479 57.204 55.803 -0.131 0.000 0.866 445 Q CB -0.194 28.490 28.738 -0.089 0.000 0.915 445 Q HN 0.542 nan 8.270 nan 0.000 0.440 446 R N 0.313 120.716 120.500 -0.162 0.000 2.080 446 R HA -0.083 4.264 4.340 0.011 0.000 0.222 446 R C 0.575 176.801 176.300 -0.124 0.000 1.107 446 R CA 1.243 57.230 56.100 -0.188 0.000 0.980 446 R CB 0.425 30.613 30.300 -0.186 0.000 0.879 446 R HN 0.150 nan 8.270 nan 0.000 0.439 447 D N -0.079 120.310 120.400 -0.017 0.000 2.379 447 D HA -0.021 4.626 4.640 0.011 0.000 0.208 447 D C 1.454 177.878 176.300 0.207 0.000 1.065 447 D CA 0.151 54.197 54.000 0.076 0.000 0.848 447 D CB 0.155 40.960 40.800 0.008 0.000 0.949 447 D HN 0.347 nan 8.370 nan 0.000 0.509 448 R N 0.829 121.469 120.500 0.234 0.000 2.249 448 R HA -0.046 4.301 4.340 0.011 0.000 0.230 448 R C 0.676 176.992 176.300 0.027 0.000 1.121 448 R CA 0.999 57.240 56.100 0.235 0.000 0.997 448 R CB -0.268 30.099 30.300 0.111 0.000 0.867 448 R HN -0.048 nan 8.270 nan 0.000 0.465 449 N N 0.144 118.788 118.700 -0.094 0.000 2.280 449 N HA 0.001 4.747 4.740 0.011 0.000 0.192 449 N C -0.470 174.939 175.510 -0.169 0.000 1.109 449 N CA 0.203 53.168 53.050 -0.143 0.000 0.855 449 N CB 0.084 38.451 38.487 -0.200 0.000 0.974 449 N HN 0.268 nan 8.380 nan 0.000 0.482 450 H N 1.719 120.731 119.070 -0.097 0.000 2.878 450 H HA 0.079 4.641 4.556 0.011 0.000 0.290 450 H C -1.165 174.018 175.328 -0.242 0.000 1.065 450 H CA -1.138 54.834 56.048 -0.128 0.000 1.477 450 H CB 1.349 31.063 29.762 -0.079 0.000 1.484 450 H HN 0.083 nan 8.280 nan 0.000 0.504 451 P HA -0.158 nan 4.420 nan 0.000 0.218 451 P C 1.487 178.314 177.300 -0.789 0.000 1.149 451 P CA 1.189 63.952 63.100 -0.561 0.000 0.817 451 P CB 0.262 31.420 31.700 -0.903 0.000 0.785 452 S N -0.662 114.671 115.700 -0.613 0.000 2.399 452 S HA -0.064 4.413 4.470 0.011 0.000 0.231 452 S C 1.154 175.695 174.600 -0.099 0.000 1.022 452 S CA 0.496 58.481 58.200 -0.358 0.000 0.983 452 S CB -1.640 61.520 63.200 -0.066 0.000 0.803 452 S HN -0.050 nan 8.310 nan 0.000 0.480 453 V N 3.873 123.709 119.914 -0.129 0.000 2.421 453 V HA 0.165 4.292 4.120 0.011 0.000 0.271 453 V C 1.118 177.065 176.094 -0.246 0.000 1.031 453 V CA 0.197 62.390 62.300 -0.178 0.000 1.032 453 V CB 0.026 31.652 31.823 -0.327 0.000 1.009 453 V HN 0.631 nan 8.190 nan 0.000 0.477 454 I N 2.591 123.081 120.570 -0.133 0.000 4.181 454 I HA 0.504 4.680 4.170 0.011 0.000 0.331 454 I C 0.393 176.398 176.117 -0.187 0.000 1.312 454 I CA 0.448 61.675 61.300 -0.122 0.000 1.146 454 I CB 0.436 38.448 38.000 0.020 0.000 1.074 454 I HN 0.318 nan 8.210 nan 0.000 0.402 455 I N 0.029 120.467 120.570 -0.221 0.000 2.722 455 I HA 0.373 4.549 4.170 0.011 0.000 0.295 455 I C -1.563 174.445 176.117 -0.181 0.000 1.161 455 I CA -0.357 60.852 61.300 -0.152 0.000 1.032 455 I CB 2.276 40.279 38.000 0.006 0.000 1.244 455 I HN 0.008 nan 8.210 nan 0.000 0.421 456 W N 3.903 125.250 121.300 0.078 0.000 2.496 456 W HA 0.633 5.298 4.660 0.009 0.000 0.327 456 W C 0.312 176.896 176.519 0.108 0.000 1.086 456 W CA -0.611 56.786 57.345 0.087 0.000 1.222 456 W CB 1.784 31.290 29.460 0.076 0.000 1.304 456 W HN 0.286 nan 8.180 nan 0.000 0.547 457 S N 2.712 118.638 115.700 0.377 0.000 2.503 457 S HA 0.415 4.891 4.470 0.011 0.000 0.301 457 S C 0.281 175.060 174.600 0.298 0.000 1.087 457 S CA -0.683 57.693 58.200 0.293 0.000 1.042 457 S CB 0.855 64.184 63.200 0.215 0.000 1.043 457 S HN 0.575 nan 8.310 nan 0.000 0.489 458 L N 4.028 125.438 121.223 0.310 0.000 2.599 458 L HA 0.363 4.710 4.340 0.011 0.000 0.230 458 L C 1.378 178.372 176.870 0.206 0.000 1.141 458 L CA 0.533 55.496 54.840 0.204 0.000 0.877 458 L CB -0.920 41.178 42.059 0.066 0.000 1.009 458 L HN 0.980 nan 8.230 nan 0.000 0.447 459 G N -0.099 108.894 108.800 0.321 0.000 2.280 459 G HA2 -0.121 3.845 3.960 0.011 0.000 0.277 459 G HA3 -0.121 3.845 3.960 0.011 0.000 0.277 459 G C -1.674 173.435 174.900 0.349 0.000 1.288 459 G CA -0.592 44.689 45.100 0.302 0.000 1.075 459 G HN 0.142 nan 8.290 nan 0.000 0.480 460 N N 0.198 119.039 118.700 0.235 0.000 2.308 460 N HA 0.479 5.225 4.740 0.011 0.000 0.283 460 N C -0.503 174.958 175.510 -0.082 0.000 1.105 460 N CA 0.036 53.064 53.050 -0.036 0.000 0.840 460 N CB 1.676 39.867 38.487 -0.494 0.000 1.633 460 N HN 0.860 nan 8.380 nan 0.000 0.476 461 E N 0.871 120.931 120.200 -0.232 0.000 2.202 461 E HA -0.177 4.180 4.350 0.011 0.000 0.169 461 E C -0.876 175.645 176.600 -0.132 0.000 1.536 461 E CA 0.775 56.966 56.400 -0.349 0.000 0.664 461 E CB -1.210 28.043 29.700 -0.745 0.000 1.064 461 E HN 0.453 nan 8.360 nan 0.000 0.327 462 S N 0.113 115.885 115.700 0.119 0.000 2.977 462 S HA 0.388 4.864 4.470 0.011 0.000 0.250 462 S C 0.596 175.373 174.600 0.295 0.000 1.005 462 S CA -0.206 58.121 58.200 0.212 0.000 1.081 462 S CB 1.397 64.775 63.200 0.297 0.000 1.018 462 S HN 0.864 nan 8.310 nan 0.000 0.539 463 G N 2.062 110.972 108.800 0.184 0.000 2.591 463 G HA2 -0.273 3.694 3.960 0.011 0.000 0.278 463 G HA3 -0.273 3.694 3.960 0.011 0.000 0.278 463 G C -0.487 174.626 174.900 0.355 0.000 1.293 463 G CA 0.008 45.217 45.100 0.183 0.000 0.930 463 G HN 0.670 nan 8.290 nan 0.000 0.562 464 H N 0.503 119.695 119.070 0.203 0.000 2.800 464 H HA 0.576 5.138 4.556 0.012 0.000 0.322 464 H C 0.329 175.811 175.328 0.257 0.000 0.979 464 H CA -0.046 56.152 56.048 0.250 0.000 1.277 464 H CB 0.643 30.492 29.762 0.144 0.000 1.484 464 H HN 1.012 nan 8.280 nan 0.000 0.512 465 G N 1.559 110.407 108.800 0.080 0.000 2.537 465 G HA2 0.445 4.412 3.960 0.011 0.000 0.308 465 G HA3 0.445 4.412 3.960 0.011 0.000 0.308 465 G C 0.635 175.380 174.900 -0.258 0.000 1.237 465 G CA -0.170 44.825 45.100 -0.176 0.000 0.968 465 G HN 0.682 nan 8.290 nan 0.000 0.481 466 A N 0.412 123.119 122.820 -0.189 0.000 2.076 466 A HA -0.119 4.208 4.320 0.011 0.000 0.220 466 A C 2.107 179.661 177.584 -0.051 0.000 1.160 466 A CA 1.890 53.867 52.037 -0.100 0.000 0.653 466 A CB -0.400 18.566 19.000 -0.057 0.000 0.801 466 A HN 0.541 nan 8.150 nan 0.000 0.455 467 N N -0.395 118.240 118.700 -0.108 0.000 2.223 467 N HA -0.128 4.619 4.740 0.011 0.000 0.185 467 N C 1.402 176.859 175.510 -0.088 0.000 1.016 467 N CA 1.648 54.623 53.050 -0.126 0.000 0.863 467 N CB -0.654 37.720 38.487 -0.188 0.000 0.983 467 N HN 0.797 nan 8.380 nan 0.000 0.429 468 H N 0.336 119.373 119.070 -0.055 0.000 2.326 468 H HA -0.022 4.541 4.556 0.011 0.000 0.301 468 H C 1.261 176.649 175.328 0.100 0.000 1.081 468 H CA 1.176 57.203 56.048 -0.036 0.000 1.334 468 H CB 0.191 29.928 29.762 -0.042 0.000 1.385 468 H HN 0.142 nan 8.280 nan 0.000 0.504 469 D N 0.334 120.891 120.400 0.262 0.000 2.104 469 D HA -0.145 4.502 4.640 0.011 0.000 0.194 469 D C 2.278 178.736 176.300 0.264 0.000 0.994 469 D CA 1.236 55.387 54.000 0.252 0.000 0.830 469 D CB -0.385 40.526 40.800 0.185 0.000 0.959 469 D HN 0.422 nan 8.370 nan 0.000 0.452 470 A N 0.617 123.540 122.820 0.172 0.000 1.898 470 A HA -0.100 4.226 4.320 0.011 0.000 0.216 470 A C 2.434 180.130 177.584 0.187 0.000 1.181 470 A CA 0.852 52.981 52.037 0.153 0.000 0.620 470 A CB -0.688 18.358 19.000 0.077 0.000 0.819 470 A HN 0.200 nan 8.150 nan 0.000 0.442 471 L N -2.134 119.184 121.223 0.158 0.000 2.109 471 L HA -0.150 4.196 4.340 0.011 0.000 0.207 471 L C 2.560 179.575 176.870 0.241 0.000 1.086 471 L CA 1.527 56.460 54.840 0.155 0.000 0.760 471 L CB -0.698 41.386 42.059 0.042 0.000 0.910 471 L HN 0.589 nan 8.230 nan 0.000 0.437 472 Y N 1.382 121.767 120.300 0.143 0.000 2.081 472 Y HA -0.360 4.195 4.550 0.008 0.000 0.280 472 Y C 2.845 178.828 175.900 0.138 0.000 1.163 472 Y CA 1.998 60.184 58.100 0.143 0.000 1.135 472 Y CB -0.212 38.330 38.460 0.137 0.000 0.970 472 Y HN -0.021 nan 8.280 nan 0.000 0.498 473 R N -0.177 120.420 120.500 0.162 0.000 2.096 473 R HA -0.210 4.137 4.340 0.011 0.000 0.235 473 R C 2.073 178.380 176.300 0.011 0.000 1.127 473 R CA 1.944 58.072 56.100 0.045 0.000 0.968 473 R CB -1.560 28.852 30.300 0.186 0.000 0.861 473 R HN 0.653 nan 8.270 nan 0.000 0.440 474 W N 0.469 121.727 121.300 -0.070 0.000 2.338 474 W HA -0.137 4.530 4.660 0.012 0.000 0.304 474 W C 1.580 178.009 176.519 -0.150 0.000 1.212 474 W CA 1.946 59.235 57.345 -0.093 0.000 1.264 474 W CB -0.180 29.230 29.460 -0.083 0.000 1.142 474 W HN 0.107 nan 8.180 nan 0.000 0.512 475 I N 0.827 121.392 120.570 -0.008 0.000 2.202 475 I HA -0.337 3.840 4.170 0.011 0.000 0.242 475 I C 2.470 178.385 176.117 -0.336 0.000 1.091 475 I CA 1.284 62.429 61.300 -0.258 0.000 1.368 475 I CB -0.746 37.175 38.000 -0.132 0.000 1.058 475 I HN -0.168 nan 8.210 nan 0.000 0.410 476 K N 0.458 120.668 120.400 -0.318 0.000 2.103 476 K HA -0.187 4.139 4.320 0.011 0.000 0.207 476 K C 2.325 178.789 176.600 -0.226 0.000 1.048 476 K CA 1.758 57.884 56.287 -0.267 0.000 0.930 476 K CB -0.667 31.637 32.500 -0.326 0.000 0.716 476 K HN 0.312 nan 8.250 nan 0.000 0.444 477 S N 0.463 115.996 115.700 -0.279 0.000 2.371 477 S HA -0.069 4.408 4.470 0.011 0.000 0.224 477 S C 2.074 176.462 174.600 -0.354 0.000 1.029 477 S CA 0.986 59.024 58.200 -0.270 0.000 0.978 477 S CB -0.017 63.026 63.200 -0.261 0.000 0.833 477 S HN 0.045 nan 8.310 nan 0.000 0.466 478 V N 1.031 120.600 119.914 -0.575 0.000 2.535 478 V HA 0.103 4.230 4.120 0.011 0.000 0.246 478 V C 0.599 176.455 176.094 -0.397 0.000 1.045 478 V CA 1.500 63.427 62.300 -0.622 0.000 1.058 478 V CB -0.221 30.891 31.823 -1.185 0.000 0.689 478 V HN 0.538 nan 8.190 nan 0.000 0.461 479 D N -0.751 119.464 120.400 -0.308 0.000 2.378 479 D HA 0.257 4.903 4.640 0.011 0.000 0.265 479 D C -2.192 174.091 176.300 -0.029 0.000 1.229 479 D CA -1.953 51.978 54.000 -0.116 0.000 0.914 479 D CB 1.650 42.477 40.800 0.044 0.000 1.140 479 D HN 0.119 nan 8.370 nan 0.000 0.516 480 P HA -0.040 nan 4.420 nan 0.000 0.242 480 P C 1.194 178.510 177.300 0.027 0.000 1.197 480 P CA 0.467 63.557 63.100 -0.016 0.000 0.765 480 P CB 0.103 31.790 31.700 -0.022 0.000 0.936 481 S N -1.030 114.696 115.700 0.044 0.000 2.453 481 S HA -0.010 4.466 4.470 0.011 0.000 0.231 481 S C 0.903 175.529 174.600 0.043 0.000 1.005 481 S CA 0.146 58.377 58.200 0.051 0.000 0.949 481 S CB -0.441 62.786 63.200 0.045 0.000 0.774 481 S HN 0.125 nan 8.310 nan 0.000 0.510 482 R N 1.235 121.772 120.500 0.062 0.000 2.686 482 R HA 0.595 4.942 4.340 0.011 0.000 0.286 482 R C -3.233 173.110 176.300 0.072 0.000 0.969 482 R CA -2.415 53.691 56.100 0.010 0.000 0.898 482 R CB 1.069 31.254 30.300 -0.191 0.000 1.183 482 R HN 0.114 nan 8.270 nan 0.000 0.456 483 P HA 0.066 nan 4.420 nan 0.000 0.269 483 P C -0.742 176.649 177.300 0.150 0.000 1.215 483 P CA -0.325 62.830 63.100 0.091 0.000 0.780 483 P CB 0.667 32.407 31.700 0.067 0.000 0.898 484 V N 2.913 122.948 119.914 0.201 0.000 2.495 484 V HA 0.413 4.539 4.120 0.011 0.000 0.298 484 V C 0.276 176.545 176.094 0.292 0.000 1.031 484 V CA -0.296 62.169 62.300 0.276 0.000 0.871 484 V CB 1.261 33.224 31.823 0.232 0.000 0.988 484 V HN 0.624 nan 8.190 nan 0.000 0.432 485 Q N 3.839 123.793 119.800 0.258 0.000 2.458 485 Q HA 0.799 5.145 4.340 0.011 0.000 0.282 485 Q C -1.908 174.248 176.000 0.260 0.000 1.106 485 Q CA -0.891 55.033 55.803 0.201 0.000 0.814 485 Q CB 2.980 31.784 28.738 0.109 0.000 1.425 485 Q HN 0.640 nan 8.270 nan 0.000 0.437 486 Y N 0.198 120.509 120.300 0.019 0.000 2.357 486 Y HA 0.136 4.691 4.550 0.010 0.000 0.319 486 Y C -0.691 175.150 175.900 -0.099 0.000 1.225 486 Y CA -0.655 57.422 58.100 -0.039 0.000 1.095 486 Y CB 1.947 40.369 38.460 -0.064 0.000 1.302 486 Y HN 0.938 nan 8.280 nan 0.000 0.429 487 E N 3.480 123.165 120.200 -0.858 0.000 2.400 487 E HA 0.159 4.516 4.350 0.011 0.000 0.195 487 E C 0.661 176.811 176.600 -0.750 0.000 1.012 487 E CA 0.766 56.790 56.400 -0.626 0.000 0.875 487 E CB 0.243 29.706 29.700 -0.395 0.000 0.859 487 E HN 0.879 nan 8.360 nan 0.000 0.498 488 G N 0.154 108.041 108.800 -1.521 0.000 2.464 488 G HA2 0.208 4.174 3.960 0.011 0.000 0.231 488 G HA3 0.208 4.174 3.960 0.011 0.000 0.231 488 G C 0.841 175.632 174.900 -0.183 0.000 1.267 488 G CA 0.365 45.043 45.100 -0.703 0.000 0.863 488 G HN 0.404 nan 8.290 nan 0.000 0.559 489 G N -0.309 108.473 108.800 -0.030 0.000 2.198 489 G HA2 0.221 4.188 3.960 0.011 0.000 0.260 489 G HA3 0.221 4.188 3.960 0.011 0.000 0.260 489 G C 1.255 176.170 174.900 0.025 0.000 1.025 489 G CA 1.046 46.184 45.100 0.063 0.000 0.769 489 G HN 2.596 nan 8.290 nan 0.000 0.507 490 G N -1.840 106.962 108.800 0.004 0.000 2.367 490 G HA2 0.433 4.400 3.960 0.011 0.000 0.181 490 G HA3 0.433 4.400 3.960 0.011 0.000 0.181 490 G C 1.069 176.066 174.900 0.160 0.000 1.000 490 G CA 1.365 46.527 45.100 0.103 0.000 0.693 490 G HN 2.301 nan 8.290 nan 0.000 0.480 491 A N -0.020 122.781 122.820 -0.032 0.000 3.721 491 A HA -0.150 4.177 4.320 0.011 0.000 0.270 491 A C 1.104 178.590 177.584 -0.164 0.000 1.036 491 A CA 2.720 54.674 52.037 -0.138 0.000 1.102 491 A CB -1.808 17.083 19.000 -0.181 0.000 1.100 491 A HN 2.110 nan 8.150 nan 0.000 0.887 492 D N -0.908 119.478 120.400 -0.023 0.000 2.760 492 D HA 0.315 4.961 4.640 0.011 0.000 0.314 492 D C 0.415 176.698 176.300 -0.027 0.000 1.464 492 D CA 0.872 54.861 54.000 -0.019 0.000 0.797 492 D CB -1.105 39.801 40.800 0.177 0.000 1.149 492 D HN 0.804 nan 8.370 nan 0.000 0.455 493 T N -2.506 111.972 114.554 -0.127 0.000 2.753 493 T HA 0.204 4.561 4.350 0.011 0.000 0.309 493 T C 1.598 176.162 174.700 -0.226 0.000 1.043 493 T CA 0.520 62.483 62.100 -0.229 0.000 0.964 493 T CB 0.596 69.101 68.868 -0.605 0.000 1.206 493 T HN 0.075 nan 8.240 nan 0.000 0.528 494 T N -2.677 111.728 114.554 -0.248 0.000 3.160 494 T HA 0.255 4.612 4.350 0.011 0.000 0.257 494 T C 1.552 175.981 174.700 -0.451 0.000 1.147 494 T CA 0.245 62.206 62.100 -0.231 0.000 1.064 494 T CB -0.496 68.313 68.868 -0.098 0.000 0.949 494 T HN 0.810 nan 8.240 nan 0.000 0.526 495 A N 0.523 123.102 122.820 -0.401 0.000 2.415 495 A HA 0.501 4.828 4.320 0.011 0.000 0.248 495 A C 0.851 178.268 177.584 -0.278 0.000 1.299 495 A CA -0.233 51.538 52.037 -0.444 0.000 0.899 495 A CB -0.002 18.997 19.000 -0.001 0.000 0.997 495 A HN 0.436 nan 8.150 nan 0.000 0.506 496 T N -1.360 113.040 114.554 -0.256 0.000 2.971 496 T HA 0.360 4.716 4.350 0.011 0.000 0.304 496 T C -0.676 174.033 174.700 0.016 0.000 1.038 496 T CA -0.458 61.643 62.100 0.002 0.000 1.007 496 T CB 1.169 70.029 68.868 -0.014 0.000 1.055 496 T HN 0.076 nan 8.240 nan 0.000 0.451 497 D N 3.055 123.547 120.400 0.153 0.000 2.347 497 D HA 0.255 4.902 4.640 0.011 0.000 0.213 497 D C 0.383 176.708 176.300 0.041 0.000 0.985 497 D CA 0.770 54.844 54.000 0.123 0.000 0.879 497 D CB 0.333 41.239 40.800 0.177 0.000 0.919 497 D HN 0.553 nan 8.370 nan 0.000 0.526 498 I N 0.806 121.382 120.570 0.009 0.000 2.582 498 I HA 0.245 4.421 4.170 0.011 0.000 0.292 498 I C -0.233 175.811 176.117 -0.122 0.000 1.066 498 I CA -0.925 60.347 61.300 -0.047 0.000 1.053 498 I CB 2.840 40.827 38.000 -0.023 0.000 1.241 498 I HN -0.352 nan 8.210 nan 0.000 0.421 499 I N 5.768 126.216 120.570 -0.202 0.000 2.494 499 I HA 0.020 4.196 4.170 0.011 0.000 0.289 499 I C 0.306 176.205 176.117 -0.365 0.000 1.106 499 I CA 0.067 61.142 61.300 -0.374 0.000 1.369 499 I CB 0.012 37.681 38.000 -0.552 0.000 1.410 499 I HN 0.665 nan 8.210 nan 0.000 0.523 500 C N 5.807 124.914 119.300 -0.321 0.000 3.163 500 C HA 0.470 4.936 4.460 0.011 0.000 0.228 500 C C -2.019 172.840 174.990 -0.218 0.000 1.593 500 C CA -2.340 56.545 59.018 -0.222 0.000 1.489 500 C CB -1.010 26.659 27.740 -0.118 0.000 2.294 500 C HN 0.420 nan 8.230 nan 0.000 0.508 501 P HA 0.239 nan 4.420 nan 0.000 0.271 501 P C -0.375 176.886 177.300 -0.064 0.000 1.233 501 P CA 0.415 63.435 63.100 -0.133 0.000 0.789 501 P CB 0.729 32.403 31.700 -0.044 0.000 0.951 502 M N 0.421 120.006 119.600 -0.024 0.000 2.167 502 M HA 0.422 4.909 4.480 0.011 0.000 0.333 502 M C -0.763 175.534 176.300 -0.005 0.000 1.030 502 M CA -0.606 54.587 55.300 -0.178 0.000 0.963 502 M CB 1.010 33.548 32.600 -0.103 0.000 1.589 502 M HN 0.333 nan 8.290 nan 0.000 0.431 503 Y N -0.044 120.433 120.300 0.296 0.000 4.409 503 Y HA -0.227 4.330 4.550 0.012 0.000 0.228 503 Y C 0.509 176.595 175.900 0.311 0.000 1.108 503 Y CA 0.478 58.761 58.100 0.304 0.000 1.955 503 Y CB -2.289 36.327 38.460 0.260 0.000 1.615 503 Y HN 0.975 nan 8.280 nan 0.000 0.665 504 A N 1.071 124.122 122.820 0.384 0.000 2.425 504 A HA 0.596 4.923 4.320 0.011 0.000 0.249 504 A C 0.728 178.534 177.584 0.370 0.000 1.084 504 A CA -0.466 51.799 52.037 0.379 0.000 0.781 504 A CB 0.418 19.693 19.000 0.459 0.000 1.019 504 A HN 0.421 nan 8.150 nan 0.000 0.490 505 R N 1.303 121.949 120.500 0.243 0.000 2.546 505 R HA 0.340 4.687 4.340 0.011 0.000 0.266 505 R C 1.088 177.346 176.300 -0.069 0.000 1.086 505 R CA -0.717 55.449 56.100 0.110 0.000 1.160 505 R CB 0.442 30.780 30.300 0.062 0.000 1.138 505 R HN 0.467 nan 8.270 nan 0.000 0.567 506 V N 0.647 120.359 119.914 -0.336 0.000 2.244 506 V HA -0.224 3.903 4.120 0.011 0.000 0.244 506 V C 0.957 176.929 176.094 -0.204 0.000 1.042 506 V CA 1.945 64.001 62.300 -0.406 0.000 1.006 506 V CB -0.284 31.183 31.823 -0.593 0.000 0.641 506 V HN 0.754 nan 8.190 nan 0.000 0.446 507 D N -1.728 118.589 120.400 -0.137 0.000 2.469 507 D HA 0.100 4.746 4.640 0.011 0.000 0.240 507 D C 0.949 177.233 176.300 -0.026 0.000 1.087 507 D CA 0.013 53.969 54.000 -0.073 0.000 0.876 507 D CB 0.596 41.358 40.800 -0.062 0.000 1.160 507 D HN 0.463 nan 8.370 nan 0.000 0.497 508 E N 1.948 122.136 120.200 -0.020 0.000 2.229 508 E HA 0.086 4.443 4.350 0.011 0.000 0.283 508 E C -0.808 175.796 176.600 0.005 0.000 1.030 508 E CA -0.474 55.924 56.400 -0.003 0.000 0.836 508 E CB 0.846 30.545 29.700 -0.002 0.000 1.068 508 E HN -0.163 nan 8.360 nan 0.000 0.401 509 D N 3.602 124.008 120.400 0.010 0.000 2.304 509 D HA 0.129 4.776 4.640 0.011 0.000 0.247 509 D C -0.633 175.573 176.300 -0.156 0.000 1.089 509 D CA 0.191 54.195 54.000 0.006 0.000 0.910 509 D CB 1.150 42.028 40.800 0.130 0.000 1.199 509 D HN 0.396 nan 8.370 nan 0.000 0.426 510 Q N 1.715 121.306 119.800 -0.348 0.000 2.932 510 Q HA 0.240 4.587 4.340 0.011 0.000 0.248 510 Q C -2.217 173.206 176.000 -0.961 0.000 0.982 510 Q CA -1.509 53.897 55.803 -0.661 0.000 0.730 510 Q CB 2.290 30.614 28.738 -0.690 0.000 1.249 510 Q HN 0.170 nan 8.270 nan 0.000 0.476 511 P HA -0.034 nan 4.420 nan 0.000 0.232 511 P C -0.678 176.327 177.300 -0.490 0.000 1.738 511 P CA 0.008 62.711 63.100 -0.662 0.000 0.948 511 P CB -0.612 30.905 31.700 -0.306 0.000 1.943 512 F N 1.892 121.669 119.950 -0.289 0.000 2.563 512 F HA 0.131 4.664 4.527 0.010 0.000 0.363 512 F C -1.208 174.492 175.800 -0.166 0.000 1.123 512 F CA -2.149 55.743 58.000 -0.180 0.000 1.307 512 F CB -0.594 38.315 39.000 -0.151 0.000 1.115 512 F HN 0.049 nan 8.300 nan 0.000 0.592 513 P HA 0.117 nan 4.420 nan 0.000 0.268 513 P C 0.272 177.597 177.300 0.042 0.000 1.204 513 P CA 1.010 64.135 63.100 0.042 0.000 0.768 513 P CB 1.144 32.868 31.700 0.040 0.000 0.842 514 A N 3.113 125.951 122.820 0.031 0.000 3.275 514 A HA -0.241 4.085 4.320 0.011 0.000 0.241 514 A C 0.720 178.324 177.584 0.033 0.000 0.607 514 A CA 2.012 54.072 52.037 0.037 0.000 1.181 514 A CB -2.621 16.401 19.000 0.035 0.000 1.304 514 A HN 0.725 nan 8.150 nan 0.000 0.682 515 V N -3.445 116.482 119.914 0.021 0.000 2.502 515 V HA 0.559 4.685 4.120 0.011 0.000 0.261 515 V C -2.556 173.539 176.094 0.003 0.000 0.996 515 V CA -1.225 61.084 62.300 0.016 0.000 1.095 515 V CB 0.694 32.520 31.823 0.006 0.000 1.325 515 V HN 0.416 nan 8.190 nan 0.000 0.574 516 P HA 0.291 nan 4.420 nan 0.000 0.272 516 P C -0.623 176.298 177.300 -0.631 0.000 1.230 516 P CA 0.186 62.978 63.100 -0.514 0.000 0.788 516 P CB 0.853 31.753 31.700 -1.334 0.000 0.949 517 K N 1.880 121.962 120.400 -0.531 0.000 2.478 517 K HA 0.217 4.543 4.320 0.011 0.000 0.236 517 K C -0.413 175.873 176.600 -0.522 0.000 1.021 517 K CA -0.310 55.810 56.287 -0.278 0.000 1.010 517 K CB 0.388 33.014 32.500 0.210 0.000 1.331 517 K HN 0.452 nan 8.250 nan 0.000 0.470 518 W N 1.379 122.331 121.300 -0.580 0.000 2.034 518 W HA 0.004 4.672 4.660 0.014 0.000 0.357 518 W C 1.391 177.882 176.519 -0.046 0.000 1.326 518 W CA -0.335 56.768 57.345 -0.404 0.000 1.318 518 W CB 0.374 29.405 29.460 -0.715 0.000 1.193 518 W HN 0.367 nan 8.180 nan 0.000 0.620 519 S N 2.464 118.318 115.700 0.257 0.000 2.560 519 S HA -0.025 4.451 4.470 0.011 0.000 0.284 519 S C 1.087 175.832 174.600 0.241 0.000 1.327 519 S CA -0.286 58.011 58.200 0.162 0.000 1.055 519 S CB 0.206 63.449 63.200 0.071 0.000 0.868 519 S HN 0.505 nan 8.310 nan 0.000 0.506 520 I N 1.447 122.124 120.570 0.179 0.000 2.361 520 I HA -0.115 4.062 4.170 0.011 0.000 0.251 520 I C 1.964 178.120 176.117 0.064 0.000 1.133 520 I CA 1.200 62.616 61.300 0.194 0.000 1.413 520 I CB -0.389 37.670 38.000 0.099 0.000 1.073 520 I HN 0.570 nan 8.210 nan 0.000 0.424 521 K N 1.541 121.881 120.400 -0.101 0.000 2.103 521 K HA -0.105 4.221 4.320 0.011 0.000 0.204 521 K C 2.279 178.892 176.600 0.022 0.000 1.052 521 K CA 1.326 57.478 56.287 -0.226 0.000 0.945 521 K CB -0.145 32.116 32.500 -0.398 0.000 0.722 521 K HN 0.350 nan 8.250 nan 0.000 0.443 522 K N 0.039 120.469 120.400 0.050 0.000 2.103 522 K HA -0.159 4.167 4.320 0.011 0.000 0.204 522 K C 1.786 178.416 176.600 0.050 0.000 1.052 522 K CA 0.764 57.065 56.287 0.023 0.000 0.945 522 K CB -0.058 32.422 32.500 -0.034 0.000 0.722 522 K HN 0.195 nan 8.250 nan 0.000 0.443 523 W N 2.152 123.456 121.300 0.006 0.000 2.317 523 W HA -0.232 4.432 4.660 0.007 0.000 0.318 523 W C 1.703 178.217 176.519 -0.008 0.000 1.227 523 W CA 1.346 58.712 57.345 0.034 0.000 1.269 523 W CB -0.843 28.706 29.460 0.149 0.000 1.155 523 W HN 0.087 nan 8.180 nan 0.000 0.484 524 L N 0.853 122.254 121.223 0.297 0.000 2.089 524 L HA -0.278 4.068 4.340 0.011 0.000 0.213 524 L C 2.262 179.208 176.870 0.126 0.000 1.079 524 L CA 2.094 57.034 54.840 0.166 0.000 0.758 524 L CB -1.058 41.084 42.059 0.137 0.000 0.891 524 L HN 0.019 nan 8.230 nan 0.000 0.433 525 S N -1.331 114.427 115.700 0.097 0.000 2.597 525 S HA 0.244 4.720 4.470 0.011 0.000 0.224 525 S C 0.557 175.152 174.600 -0.008 0.000 0.955 525 S CA -0.528 57.697 58.200 0.042 0.000 0.933 525 S CB -0.513 62.709 63.200 0.038 0.000 0.788 525 S HN 0.172 nan 8.310 nan 0.000 0.488 526 L N 2.312 123.526 121.223 -0.016 0.000 2.525 526 L HA 0.211 4.558 4.340 0.011 0.000 0.278 526 L C -2.217 174.630 176.870 -0.038 0.000 1.218 526 L CA -1.632 53.154 54.840 -0.090 0.000 0.878 526 L CB -0.423 41.559 42.059 -0.129 0.000 1.127 526 L HN 0.034 nan 8.230 nan 0.000 0.492 527 P HA -0.044 nan 4.420 nan 0.000 0.260 527 P C 0.837 178.135 177.300 -0.004 0.000 1.172 527 P CA 0.996 64.079 63.100 -0.028 0.000 0.760 527 P CB 0.520 32.199 31.700 -0.036 0.000 0.773 528 G N 1.573 110.377 108.800 0.006 0.000 2.184 528 G HA2 -0.286 3.681 3.960 0.011 0.000 0.264 528 G HA3 -0.286 3.681 3.960 0.011 0.000 0.264 528 G C 0.244 175.162 174.900 0.029 0.000 0.975 528 G CA 0.215 45.325 45.100 0.017 0.000 0.642 528 G HN 0.638 nan 8.290 nan 0.000 0.536 529 E N 0.961 121.184 120.200 0.039 0.000 2.289 529 E HA 0.589 4.946 4.350 0.011 0.000 0.278 529 E C 1.366 177.991 176.600 0.042 0.000 1.032 529 E CA 0.588 57.022 56.400 0.057 0.000 0.854 529 E CB 0.820 30.582 29.700 0.104 0.000 1.046 529 E HN 0.528 nan 8.360 nan 0.000 0.409 530 T N 0.695 115.269 114.554 0.032 0.000 3.041 530 T HA 0.314 4.671 4.350 0.011 0.000 0.276 530 T C 0.571 175.279 174.700 0.012 0.000 0.948 530 T CA -0.420 61.693 62.100 0.022 0.000 0.885 530 T CB 0.077 68.957 68.868 0.020 0.000 1.175 530 T HN 0.273 nan 8.240 nan 0.000 0.529 531 R N 2.382 122.884 120.500 0.003 0.000 2.801 531 R HA 0.413 4.760 4.340 0.011 0.000 0.273 531 R C -2.527 173.751 176.300 -0.037 0.000 1.080 531 R CA -1.488 54.601 56.100 -0.018 0.000 1.197 531 R CB -0.106 30.174 30.300 -0.033 0.000 1.109 531 R HN 0.267 nan 8.270 nan 0.000 0.535 532 P HA 0.164 nan 4.420 nan 0.000 0.279 532 P C -1.172 176.056 177.300 -0.119 0.000 1.252 532 P CA -0.271 62.786 63.100 -0.071 0.000 0.811 532 P CB 0.788 32.447 31.700 -0.067 0.000 1.035 533 L N 2.654 123.789 121.223 -0.146 0.000 2.381 533 L HA 0.593 4.940 4.340 0.011 0.000 0.274 533 L C -1.161 175.570 176.870 -0.231 0.000 0.988 533 L CA -0.707 54.010 54.840 -0.205 0.000 0.824 533 L CB 0.808 42.740 42.059 -0.211 0.000 1.263 533 L HN 0.233 nan 8.230 nan 0.000 0.410 534 I N 5.632 126.073 120.570 -0.215 0.000 2.468 534 I HA 0.269 4.446 4.170 0.011 0.000 0.285 534 I C -0.726 175.306 176.117 -0.143 0.000 1.039 534 I CA -0.591 60.569 61.300 -0.234 0.000 1.074 534 I CB 1.996 39.906 38.000 -0.150 0.000 1.228 534 I HN 0.478 nan 8.210 nan 0.000 0.436 535 L N 5.591 126.705 121.223 -0.181 0.000 2.462 535 L HA 0.014 4.360 4.340 0.011 0.000 0.272 535 L C 1.527 178.490 176.870 0.154 0.000 1.166 535 L CA -0.103 54.707 54.840 -0.050 0.000 0.880 535 L CB 0.639 42.660 42.059 -0.063 0.000 1.142 535 L HN 0.883 nan 8.230 nan 0.000 0.473 536 C N 0.486 119.848 119.300 0.103 0.000 2.432 536 C HA 0.095 4.562 4.460 0.011 0.000 0.280 536 C C 0.696 175.834 174.990 0.247 0.000 1.353 536 C CA -0.096 59.023 59.018 0.167 0.000 1.766 536 C CB -1.026 26.721 27.740 0.011 0.000 1.924 536 C HN 0.831 nan 8.230 nan 0.000 0.509 537 E N -0.978 119.289 120.200 0.112 0.000 2.321 537 E HA 0.634 4.991 4.350 0.011 0.000 0.278 537 E C -1.292 175.196 176.600 -0.187 0.000 0.902 537 E CA -0.425 55.995 56.400 0.034 0.000 0.758 537 E CB 2.026 31.557 29.700 -0.281 0.000 1.213 537 E HN 0.664 nan 8.360 nan 0.000 0.426 538 Y N -0.854 119.374 120.300 -0.120 0.000 2.689 538 Y HA 0.648 5.205 4.550 0.013 0.000 0.333 538 Y C -0.625 175.407 175.900 0.220 0.000 1.208 538 Y CA -0.961 57.084 58.100 -0.091 0.000 1.055 538 Y CB 0.923 39.219 38.460 -0.274 0.000 1.304 538 Y HN 0.646 nan 8.280 nan 0.000 0.455 539 A N 1.902 124.799 122.820 0.128 0.000 2.303 539 A HA -0.261 4.065 4.320 0.011 0.000 0.286 539 A C -0.384 177.332 177.584 0.221 0.000 1.429 539 A CA 1.037 53.141 52.037 0.111 0.000 0.738 539 A CB -2.467 16.481 19.000 -0.087 0.000 1.149 539 A HN 1.081 nan 8.150 nan 0.000 0.364 540 H N 0.725 119.959 119.070 0.275 0.000 3.191 540 H HA 0.266 4.829 4.556 0.011 0.000 0.261 540 H C 1.096 176.485 175.328 0.101 0.000 1.013 540 H CA 0.909 57.118 56.048 0.268 0.000 1.457 540 H CB 0.442 30.277 29.762 0.122 0.000 1.535 540 H HN 0.800 nan 8.280 nan 0.000 0.518 541 A N 6.663 129.384 122.820 -0.164 0.000 2.840 541 A HA 0.062 4.388 4.320 0.011 0.000 0.269 541 A C 0.911 178.357 177.584 -0.229 0.000 1.439 541 A CA -0.399 51.524 52.037 -0.190 0.000 1.083 541 A CB -0.646 18.205 19.000 -0.249 0.000 1.019 541 A HN 0.799 nan 8.150 nan 0.000 0.607 542 M N 1.518 121.011 119.600 -0.178 0.000 2.193 542 M HA 0.442 4.929 4.480 0.011 0.000 0.342 542 M C 0.936 177.172 176.300 -0.107 0.000 1.413 542 M CA 1.245 56.473 55.300 -0.119 0.000 1.191 542 M CB -0.339 32.315 32.600 0.090 0.000 1.633 542 M HN 0.825 nan 8.290 nan 0.000 0.458 543 G N 4.282 112.998 108.800 -0.138 0.000 2.527 543 G HA2 -0.329 3.638 3.960 0.011 0.000 0.268 543 G HA3 -0.329 3.638 3.960 0.011 0.000 0.268 543 G C -0.299 174.203 174.900 -0.664 0.000 1.175 543 G CA 0.006 44.870 45.100 -0.393 0.000 0.962 543 G HN 0.827 nan 8.290 nan 0.000 0.560 544 N N 1.254 119.371 118.700 -0.973 0.000 2.421 544 N HA 0.507 5.254 4.740 0.011 0.000 0.260 544 N C 0.003 175.302 175.510 -0.351 0.000 1.173 544 N CA 1.114 53.741 53.050 -0.705 0.000 0.960 544 N CB 0.436 38.504 38.487 -0.697 0.000 1.273 544 N HN 0.978 nan 8.380 nan 0.000 0.497 545 S N 2.475 118.055 115.700 -0.200 0.000 2.790 545 S HA 0.635 5.111 4.470 0.011 0.000 0.292 545 S C -0.303 174.258 174.600 -0.065 0.000 1.197 545 S CA -0.332 57.798 58.200 -0.118 0.000 0.851 545 S CB 0.080 63.230 63.200 -0.082 0.000 1.217 545 S HN 0.344 nan 8.310 nan 0.000 0.526 546 L N -0.055 121.160 121.223 -0.014 0.000 4.461 546 L HA -0.004 4.342 4.340 0.011 0.000 0.399 546 L C 0.504 177.428 176.870 0.091 0.000 0.913 546 L CA 0.931 55.785 54.840 0.022 0.000 1.652 546 L CB -1.624 40.365 42.059 -0.117 0.000 1.831 546 L HN 0.843 nan 8.230 nan 0.000 0.559 547 G N -0.683 108.137 108.800 0.033 0.000 2.343 547 G HA2 0.484 4.450 3.960 0.011 0.000 0.254 547 G HA3 0.484 4.450 3.960 0.011 0.000 0.254 547 G C 1.226 176.157 174.900 0.052 0.000 1.277 547 G CA 0.290 45.380 45.100 -0.016 0.000 0.909 547 G HN 1.367 nan 8.290 nan 0.000 0.502 548 G N 1.913 110.736 108.800 0.038 0.000 2.157 548 G HA2 -0.312 3.655 3.960 0.011 0.000 0.239 548 G HA3 -0.312 3.655 3.960 0.011 0.000 0.239 548 G C 0.991 176.071 174.900 0.300 0.000 0.982 548 G CA 0.696 45.870 45.100 0.123 0.000 0.650 548 G HN 0.789 nan 8.290 nan 0.000 0.527 549 F N 1.925 121.994 119.950 0.199 0.000 2.091 549 F HA 0.029 4.563 4.527 0.012 0.000 0.299 549 F C 2.733 178.745 175.800 0.353 0.000 1.103 549 F CA 2.854 61.038 58.000 0.308 0.000 1.228 549 F CB -0.557 38.560 39.000 0.195 0.000 0.984 549 F HN 0.380 nan 8.300 nan 0.000 0.477 550 A N -0.359 122.617 122.820 0.259 0.000 2.032 550 A HA -0.289 4.037 4.320 0.011 0.000 0.221 550 A C 2.284 179.882 177.584 0.023 0.000 1.165 550 A CA 1.976 54.096 52.037 0.138 0.000 0.645 550 A CB -0.898 18.190 19.000 0.147 0.000 0.807 550 A HN 0.512 nan 8.150 nan 0.000 0.453 551 K N -1.830 118.570 120.400 0.001 0.000 2.097 551 K HA -0.151 4.176 4.320 0.011 0.000 0.205 551 K C 1.694 178.068 176.600 -0.376 0.000 1.050 551 K CA 1.440 57.647 56.287 -0.134 0.000 0.938 551 K CB -0.290 32.141 32.500 -0.114 0.000 0.718 551 K HN 0.565 nan 8.250 nan 0.000 0.442 552 Y N -0.819 119.184 120.300 -0.495 0.000 2.163 552 Y HA -0.208 4.348 4.550 0.010 0.000 0.288 552 Y C 1.928 176.794 175.900 -1.724 0.000 1.136 552 Y CA 1.495 58.920 58.100 -1.125 0.000 1.147 552 Y CB -0.272 37.475 38.460 -1.188 0.000 0.987 552 Y HN 0.155 nan 8.280 nan 0.000 0.509 553 W N 0.084 120.898 121.300 -0.810 0.000 2.358 553 W HA -0.226 4.442 4.660 0.013 0.000 0.303 553 W C 2.648 178.974 176.519 -0.323 0.000 1.208 553 W CA 1.605 58.626 57.345 -0.540 0.000 1.274 553 W CB -0.601 28.641 29.460 -0.364 0.000 1.138 553 W HN 0.036 nan 8.180 nan 0.000 0.515 554 Q N 0.634 120.348 119.800 -0.144 0.000 2.084 554 Q HA -0.187 4.160 4.340 0.011 0.000 0.202 554 Q C 2.215 178.153 176.000 -0.103 0.000 0.978 554 Q CA 2.058 57.815 55.803 -0.078 0.000 0.844 554 Q CB -0.566 28.135 28.738 -0.062 0.000 0.898 554 Q HN 0.285 nan 8.270 nan 0.000 0.426 555 A N 0.029 122.694 122.820 -0.259 0.000 1.873 555 A HA -0.116 4.210 4.320 0.011 0.000 0.215 555 A C 2.039 179.580 177.584 -0.070 0.000 1.186 555 A CA 1.072 52.975 52.037 -0.222 0.000 0.616 555 A CB -1.092 17.654 19.000 -0.424 0.000 0.823 555 A HN 0.474 nan 8.150 nan 0.000 0.442 556 F N -0.307 119.459 119.950 -0.307 0.000 2.126 556 F HA -0.239 4.294 4.527 0.011 0.000 0.299 556 F C 2.781 178.480 175.800 -0.169 0.000 1.096 556 F CA 1.185 58.975 58.000 -0.350 0.000 1.255 556 F CB -0.181 38.396 39.000 -0.705 0.000 0.997 556 F HN 0.176 nan 8.300 nan 0.000 0.479 557 R N -0.014 120.541 120.500 0.092 0.000 2.092 557 R HA -0.172 4.174 4.340 0.011 0.000 0.231 557 R C 2.107 178.448 176.300 0.068 0.000 1.119 557 R CA 1.231 57.372 56.100 0.068 0.000 0.970 557 R CB -0.399 29.935 30.300 0.056 0.000 0.864 557 R HN 0.386 nan 8.270 nan 0.000 0.440 558 Q N -0.367 119.504 119.800 0.118 0.000 2.269 558 Q HA -0.030 4.316 4.340 0.011 0.000 0.201 558 Q C -0.531 175.541 176.000 0.120 0.000 0.946 558 Q CA 0.714 56.588 55.803 0.119 0.000 0.877 558 Q CB 0.484 29.315 28.738 0.155 0.000 0.963 558 Q HN 0.177 nan 8.270 nan 0.000 0.472 559 Y N 0.107 120.390 120.300 -0.029 0.000 2.342 559 Y HA 0.288 4.844 4.550 0.010 0.000 0.338 559 Y C -1.779 174.095 175.900 -0.043 0.000 0.965 559 Y CA -2.974 55.108 58.100 -0.030 0.000 1.159 559 Y CB 1.439 39.885 38.460 -0.023 0.000 1.157 559 Y HN 0.077 nan 8.280 nan 0.000 0.486 560 P HA -0.193 nan 4.420 nan 0.000 0.216 560 P C 1.023 178.326 177.300 0.004 0.000 1.157 560 P CA 1.951 65.056 63.100 0.009 0.000 0.880 560 P CB 0.315 32.004 31.700 -0.019 0.000 0.791 561 R N -1.208 119.314 120.500 0.037 0.000 2.307 561 R HA 0.100 4.446 4.340 0.011 0.000 0.199 561 R C 0.528 176.804 176.300 -0.039 0.000 1.000 561 R CA 0.110 56.210 56.100 -0.000 0.000 1.023 561 R CB -0.494 29.815 30.300 0.014 0.000 0.908 561 R HN 0.243 nan 8.270 nan 0.000 0.473 562 L N 2.051 123.265 121.223 -0.014 0.000 2.312 562 L HA 0.123 4.470 4.340 0.011 0.000 0.287 562 L C 0.515 177.236 176.870 -0.249 0.000 1.091 562 L CA 0.173 54.952 54.840 -0.102 0.000 0.846 562 L CB 1.043 43.105 42.059 0.006 0.000 1.219 562 L HN 0.115 nan 8.230 nan 0.000 0.439 563 Q N 2.832 122.412 119.800 -0.366 0.000 2.201 563 Q HA 0.321 4.668 4.340 0.011 0.000 0.217 563 Q C 0.778 176.349 176.000 -0.714 0.000 0.860 563 Q CA 0.037 55.585 55.803 -0.425 0.000 0.984 563 Q CB 1.043 29.626 28.738 -0.259 0.000 1.095 563 Q HN 0.938 nan 8.270 nan 0.000 0.477 564 G N -0.447 107.534 108.800 -1.365 0.000 2.384 564 G HA2 0.144 4.110 3.960 0.011 0.000 0.204 564 G HA3 0.144 4.110 3.960 0.011 0.000 0.204 564 G C -0.406 173.648 174.900 -1.410 0.000 1.237 564 G CA -0.747 43.251 45.100 -1.837 0.000 1.060 564 G HN 0.527 nan 8.290 nan 0.000 0.514 565 G N -2.218 106.036 108.800 -0.910 0.000 2.430 565 G HA2 0.654 4.620 3.960 0.011 0.000 0.300 565 G HA3 0.654 4.620 3.960 0.011 0.000 0.300 565 G C -1.877 172.932 174.900 -0.152 0.000 1.330 565 G CA -0.389 44.424 45.100 -0.478 0.000 0.813 565 G HN 1.101 nan 8.290 nan 0.000 0.487 566 F N 0.806 121.002 119.950 0.411 0.000 2.403 566 F HA 0.512 5.045 4.527 0.010 0.000 0.355 566 F C 0.817 176.841 175.800 0.372 0.000 1.119 566 F CA -0.697 57.539 58.000 0.393 0.000 1.007 566 F CB 1.954 41.090 39.000 0.227 0.000 1.194 566 F HN 0.242 nan 8.300 nan 0.000 0.443 567 V N 3.181 123.324 119.914 0.382 0.000 2.999 567 V HA -0.140 3.986 4.120 0.011 0.000 0.307 567 V C -0.248 175.952 176.094 0.176 0.000 1.084 567 V CA -0.197 62.119 62.300 0.027 0.000 1.155 567 V CB 0.821 32.695 31.823 0.085 0.000 0.975 567 V HN 0.759 nan 8.190 nan 0.000 0.490 568 W N 6.097 127.427 121.300 0.051 0.000 2.299 568 W HA 0.463 5.129 4.660 0.010 0.000 0.319 568 W C -0.936 175.533 176.519 -0.084 0.000 1.008 568 W CA -0.675 56.726 57.345 0.093 0.000 1.384 568 W CB 1.197 30.856 29.460 0.332 0.000 1.220 568 W HN 0.939 nan 8.180 nan 0.000 0.402 569 D N 2.279 122.341 120.400 -0.564 0.000 2.921 569 D HA 0.089 4.736 4.640 0.011 0.000 0.329 569 D C 0.713 176.749 176.300 -0.439 0.000 1.293 569 D CA -0.557 52.991 54.000 -0.753 0.000 0.964 569 D CB 0.193 40.004 40.800 -1.648 0.000 1.435 569 D HN 0.354 nan 8.370 nan 0.000 0.548 570 W N 0.392 121.341 121.300 -0.585 0.000 2.380 570 W HA 0.127 4.793 4.660 0.011 0.000 0.317 570 W C -0.071 176.202 176.519 -0.411 0.000 1.196 570 W CA 1.386 58.452 57.345 -0.465 0.000 1.307 570 W CB 0.322 29.539 29.460 -0.405 0.000 1.157 570 W HN 0.176 nan 8.180 nan 0.000 0.483 571 V N 2.493 122.105 119.914 -0.504 0.000 2.709 571 V HA 0.247 4.374 4.120 0.011 0.000 0.308 571 V C -0.902 174.963 176.094 -0.382 0.000 1.062 571 V CA -0.804 61.175 62.300 -0.535 0.000 0.901 571 V CB 1.532 33.154 31.823 -0.336 0.000 1.003 571 V HN -0.112 nan 8.190 nan 0.000 0.425 572 D N 4.089 124.269 120.400 -0.367 0.000 2.533 572 D HA 0.082 4.728 4.640 0.011 0.000 0.236 572 D C 0.386 176.511 176.300 -0.293 0.000 1.137 572 D CA 0.697 54.539 54.000 -0.264 0.000 0.867 572 D CB 0.895 41.642 40.800 -0.088 0.000 1.170 572 D HN 0.641 nan 8.370 nan 0.000 0.474 573 Q N 1.247 120.802 119.800 -0.408 0.000 3.179 573 Q HA 0.119 4.466 4.340 0.011 0.000 0.328 573 Q C -0.009 175.886 176.000 -0.175 0.000 1.336 573 Q CA -0.284 55.068 55.803 -0.752 0.000 0.939 573 Q CB -0.078 28.293 28.738 -0.611 0.000 1.658 573 Q HN 0.331 nan 8.270 nan 0.000 0.486 574 S N -0.219 115.505 115.700 0.040 0.000 2.617 574 S HA 0.644 5.121 4.470 0.011 0.000 0.283 574 S C -0.145 174.611 174.600 0.260 0.000 1.189 574 S CA -0.845 57.505 58.200 0.250 0.000 1.036 574 S CB 1.492 64.832 63.200 0.233 0.000 1.014 574 S HN 0.328 nan 8.310 nan 0.000 0.522 575 L N 1.736 123.045 121.223 0.144 0.000 2.334 575 L HA 0.499 4.846 4.340 0.011 0.000 0.273 575 L C -0.354 176.404 176.870 -0.186 0.000 1.013 575 L CA -1.213 53.593 54.840 -0.057 0.000 0.816 575 L CB 1.354 43.272 42.059 -0.236 0.000 1.278 575 L HN 0.553 nan 8.230 nan 0.000 0.431 576 I N 2.717 123.123 120.570 -0.274 0.000 2.471 576 I HA 0.170 4.347 4.170 0.011 0.000 0.286 576 I C 0.183 175.855 176.117 -0.743 0.000 1.079 576 I CA 0.280 61.280 61.300 -0.500 0.000 1.398 576 I CB 0.687 38.406 38.000 -0.469 0.000 1.403 576 I HN 0.571 nan 8.210 nan 0.000 0.530 577 K N 5.564 125.228 120.400 -1.226 0.000 2.385 577 K HA 0.537 4.864 4.320 0.011 0.000 0.248 577 K C -1.508 174.244 176.600 -1.413 0.000 0.955 577 K CA -0.681 54.783 56.287 -1.372 0.000 0.816 577 K CB 2.446 33.926 32.500 -1.700 0.000 1.250 577 K HN 0.237 nan 8.250 nan 0.000 0.434 578 Y N 0.793 120.861 120.300 -0.385 0.000 2.429 578 Y HA 0.148 4.705 4.550 0.011 0.000 0.342 578 Y C 0.261 176.295 175.900 0.223 0.000 1.004 578 Y CA -0.984 57.091 58.100 -0.041 0.000 1.075 578 Y CB 1.245 39.680 38.460 -0.041 0.000 1.214 578 Y HN 0.677 nan 8.280 nan 0.000 0.455 579 D N -0.048 120.623 120.400 0.452 0.000 2.447 579 D HA 0.085 4.732 4.640 0.011 0.000 0.265 579 D C 0.714 177.130 176.300 0.195 0.000 1.250 579 D CA -0.321 53.870 54.000 0.319 0.000 1.046 579 D CB 0.670 41.582 40.800 0.186 0.000 1.095 579 D HN 0.363 nan 8.370 nan 0.000 0.555 580 E N -0.402 119.870 120.200 0.121 0.000 2.070 580 E HA -0.158 4.198 4.350 0.011 0.000 0.197 580 E C 0.959 177.597 176.600 0.064 0.000 1.004 580 E CA 1.159 57.603 56.400 0.073 0.000 0.805 580 E CB -0.571 29.155 29.700 0.043 0.000 0.744 580 E HN 0.489 nan 8.360 nan 0.000 0.451 581 N N 0.459 119.201 118.700 0.070 0.000 2.466 581 N HA 0.055 4.801 4.740 0.011 0.000 0.211 581 N C 0.695 176.254 175.510 0.081 0.000 1.256 581 N CA 0.814 53.900 53.050 0.060 0.000 0.840 581 N CB 0.107 38.625 38.487 0.053 0.000 1.079 581 N HN 0.207 nan 8.380 nan 0.000 0.466 582 G N 1.126 109.988 108.800 0.103 0.000 2.337 582 G HA2 -0.302 3.665 3.960 0.011 0.000 0.290 582 G HA3 -0.302 3.665 3.960 0.011 0.000 0.290 582 G C -0.208 174.828 174.900 0.226 0.000 1.003 582 G CA 0.020 45.193 45.100 0.121 0.000 0.825 582 G HN 0.431 nan 8.290 nan 0.000 0.509 583 N N 1.020 119.871 118.700 0.253 0.000 2.498 583 N HA 0.462 5.209 4.740 0.011 0.000 0.287 583 N C -2.577 173.125 175.510 0.320 0.000 1.097 583 N CA -1.263 51.943 53.050 0.261 0.000 0.973 583 N CB 2.177 40.770 38.487 0.176 0.000 1.153 583 N HN 0.160 nan 8.380 nan 0.000 0.472 584 P HA 0.392 nan 4.420 nan 0.000 0.281 584 P C -0.658 176.664 177.300 0.037 0.000 1.264 584 P CA -0.376 62.616 63.100 -0.180 0.000 0.824 584 P CB 0.969 32.537 31.700 -0.219 0.000 1.092 585 W N -1.948 119.133 121.300 -0.366 0.000 3.499 585 W HA 0.248 4.914 4.660 0.011 0.000 0.288 585 W C -1.717 174.627 176.519 -0.292 0.000 1.258 585 W CA -0.747 56.399 57.345 -0.332 0.000 1.203 585 W CB -0.030 29.068 29.460 -0.603 0.000 1.325 585 W HN 0.117 nan 8.180 nan 0.000 0.564 586 S N 1.862 117.621 115.700 0.099 0.000 2.488 586 S HA 0.525 5.002 4.470 0.011 0.000 0.278 586 S C 0.311 175.054 174.600 0.239 0.000 1.259 586 S CA 0.033 58.284 58.200 0.085 0.000 1.061 586 S CB 0.843 64.157 63.200 0.190 0.000 0.910 586 S HN 0.639 nan 8.310 nan 0.000 0.491 587 A N 3.054 125.868 122.820 -0.010 0.000 2.320 587 A HA 0.864 5.191 4.320 0.011 0.000 0.334 587 A C -0.596 177.226 177.584 0.396 0.000 1.147 587 A CA -0.780 51.301 52.037 0.073 0.000 0.820 587 A CB 0.659 19.375 19.000 -0.472 0.000 1.218 587 A HN 0.853 nan 8.150 nan 0.000 0.482 588 Y N -0.787 119.804 120.300 0.485 0.000 2.857 588 Y HA 0.764 5.320 4.550 0.011 0.000 0.318 588 Y C 0.641 176.892 175.900 0.586 0.000 1.313 588 Y CA -1.297 57.099 58.100 0.492 0.000 1.117 588 Y CB 0.000 38.589 38.460 0.214 0.000 1.344 588 Y HN 0.941 nan 8.280 nan 0.000 0.525 589 G N -0.002 109.193 108.800 0.658 0.000 2.187 589 G HA2 0.353 4.319 3.960 0.011 0.000 0.239 589 G HA3 0.353 4.319 3.960 0.011 0.000 0.239 589 G C 0.968 176.174 174.900 0.511 0.000 1.200 589 G CA 0.522 45.953 45.100 0.552 0.000 0.888 589 G HN 2.011 nan 8.290 nan 0.000 0.482 590 G N 2.282 111.349 108.800 0.444 0.000 2.241 590 G HA2 -0.283 3.683 3.960 0.011 0.000 0.244 590 G HA3 -0.283 3.683 3.960 0.011 0.000 0.244 590 G C 0.926 175.987 174.900 0.268 0.000 0.998 590 G CA 0.705 45.997 45.100 0.320 0.000 0.621 590 G HN 0.646 nan 8.290 nan 0.000 0.519 591 D N -0.208 120.350 120.400 0.263 0.000 2.350 591 D HA 0.099 4.746 4.640 0.011 0.000 0.216 591 D C 1.290 177.402 176.300 -0.313 0.000 0.968 591 D CA 0.605 54.589 54.000 -0.028 0.000 0.894 591 D CB -0.191 40.535 40.800 -0.124 0.000 0.909 591 D HN 0.488 nan 8.370 nan 0.000 0.520 592 F N -0.838 119.225 119.950 0.187 0.000 2.708 592 F HA 0.318 4.851 4.527 0.011 0.000 0.300 592 F C 1.716 177.597 175.800 0.136 0.000 1.118 592 F CA -0.242 57.834 58.000 0.127 0.000 1.307 592 F CB 0.819 39.898 39.000 0.133 0.000 0.986 592 F HN -0.052 nan 8.300 nan 0.000 0.522 593 G N 0.426 109.363 108.800 0.228 0.000 2.184 593 G HA2 -0.293 3.673 3.960 0.011 0.000 0.264 593 G HA3 -0.293 3.673 3.960 0.011 0.000 0.264 593 G C -0.131 174.901 174.900 0.220 0.000 0.975 593 G CA 0.273 45.487 45.100 0.189 0.000 0.642 593 G HN 0.443 nan 8.290 nan 0.000 0.536 594 D N 0.414 120.996 120.400 0.303 0.000 2.343 594 D HA 0.526 5.173 4.640 0.011 0.000 0.255 594 D C -0.046 176.377 176.300 0.204 0.000 1.187 594 D CA 0.659 54.830 54.000 0.286 0.000 0.875 594 D CB 1.667 42.710 40.800 0.405 0.000 1.136 594 D HN 0.135 nan 8.370 nan 0.000 0.469 595 T N 1.505 116.146 114.554 0.146 0.000 2.957 595 T HA 0.391 4.747 4.350 0.011 0.000 0.336 595 T C -2.718 172.016 174.700 0.057 0.000 1.462 595 T CA -1.036 61.119 62.100 0.091 0.000 1.073 595 T CB 1.302 70.224 68.868 0.090 0.000 1.319 595 T HN 0.230 nan 8.240 nan 0.000 0.485 596 P HA 0.467 nan 4.420 nan 0.000 0.272 596 P C -1.033 176.249 177.300 -0.030 0.000 1.230 596 P CA -0.330 62.763 63.100 -0.011 0.000 0.788 596 P CB 0.373 32.044 31.700 -0.049 0.000 0.949 597 N N -1.556 117.124 118.700 -0.032 0.000 2.525 597 N HA 0.276 5.022 4.740 0.011 0.000 0.270 597 N C -0.924 174.530 175.510 -0.093 0.000 1.321 597 N CA -0.768 52.241 53.050 -0.068 0.000 0.797 597 N CB 0.974 39.513 38.487 0.087 0.000 1.529 597 N HN 0.089 nan 8.380 nan 0.000 0.491 598 D N -0.136 120.151 120.400 -0.187 0.000 2.427 598 D HA 0.083 4.730 4.640 0.011 0.000 0.224 598 D C 0.562 177.061 176.300 0.331 0.000 1.157 598 D CA -0.069 53.907 54.000 -0.039 0.000 0.828 598 D CB 0.162 40.825 40.800 -0.228 0.000 0.974 598 D HN 0.716 nan 8.370 nan 0.000 0.498 599 R N 1.111 121.821 120.500 0.349 0.000 3.707 599 R HA -0.336 4.010 4.340 0.011 0.000 0.504 599 R C 1.207 177.621 176.300 0.189 0.000 0.241 599 R CA 1.674 58.008 56.100 0.389 0.000 1.576 599 R CB -1.639 28.798 30.300 0.228 0.000 0.924 599 R HN 0.134 nan 8.270 nan 0.000 0.597 600 Q N 1.166 120.770 119.800 -0.326 0.000 2.472 600 Q HA -0.059 4.287 4.340 0.011 0.000 0.208 600 Q C 1.773 177.622 176.000 -0.251 0.000 0.958 600 Q CA 1.472 56.882 55.803 -0.655 0.000 0.932 600 Q CB -0.144 28.013 28.738 -0.968 0.000 1.007 600 Q HN 0.585 nan 8.270 nan 0.000 0.508 601 F N 2.548 122.425 119.950 -0.122 0.000 2.346 601 F HA -0.211 4.323 4.527 0.011 0.000 0.301 601 F C 1.975 177.735 175.800 -0.067 0.000 1.070 601 F CA 1.273 59.282 58.000 0.015 0.000 1.407 601 F CB -0.085 38.987 39.000 0.120 0.000 1.072 601 F HN 0.434 nan 8.300 nan 0.000 0.543 602 C N -1.269 117.639 119.300 -0.653 0.000 2.576 602 C HA 0.284 4.751 4.460 0.011 0.000 0.267 602 C C 0.955 175.658 174.990 -0.478 0.000 1.364 602 C CA -0.546 57.950 59.018 -0.870 0.000 1.723 602 C CB -1.873 24.838 27.740 -1.716 0.000 1.778 602 C HN 0.227 nan 8.230 nan 0.000 0.572 603 M N 2.535 121.914 119.600 -0.368 0.000 2.060 603 M HA 0.295 4.782 4.480 0.011 0.000 0.342 603 M C -0.297 175.843 176.300 -0.267 0.000 1.031 603 M CA 0.299 55.446 55.300 -0.255 0.000 0.981 603 M CB -0.032 32.494 32.600 -0.122 0.000 1.376 603 M HN 0.300 nan 8.290 nan 0.000 0.397 604 N N 0.766 119.272 118.700 -0.324 0.000 2.241 604 N HA 0.190 4.937 4.740 0.011 0.000 0.238 604 N C 0.489 175.720 175.510 -0.464 0.000 1.244 604 N CA -0.570 52.243 53.050 -0.395 0.000 0.880 604 N CB 1.168 39.444 38.487 -0.353 0.000 1.179 604 N HN 0.676 nan 8.380 nan 0.000 0.513 605 G N 0.072 108.563 108.800 -0.515 0.000 2.537 605 G HA2 0.317 4.283 3.960 0.011 0.000 0.273 605 G HA3 0.317 4.283 3.960 0.011 0.000 0.273 605 G C 0.648 175.017 174.900 -0.884 0.000 1.189 605 G CA -0.491 44.211 45.100 -0.665 0.000 0.881 605 G HN 0.119 nan 8.290 nan 0.000 0.535 606 L N -0.210 120.509 121.223 -0.840 0.000 2.509 606 L HA 0.181 4.528 4.340 0.011 0.000 0.222 606 L C 0.756 177.039 176.870 -0.978 0.000 1.123 606 L CA 0.163 54.528 54.840 -0.791 0.000 0.856 606 L CB -0.233 41.520 42.059 -0.510 0.000 0.985 606 L HN 0.394 nan 8.230 nan 0.000 0.456 607 V N -5.295 113.936 119.914 -1.138 0.000 3.078 607 V HA 0.493 4.620 4.120 0.011 0.000 0.311 607 V C -0.403 175.295 176.094 -0.660 0.000 1.138 607 V CA -1.251 60.567 62.300 -0.803 0.000 1.007 607 V CB 1.760 33.130 31.823 -0.755 0.000 1.045 607 V HN -0.142 nan 8.190 nan 0.000 0.432 608 F N 1.357 121.239 119.950 -0.113 0.000 2.403 608 F HA 0.604 5.138 4.527 0.012 0.000 0.320 608 F C 1.951 177.682 175.800 -0.115 0.000 1.176 608 F CA 0.521 58.516 58.000 -0.009 0.000 1.206 608 F CB 1.210 40.213 39.000 0.004 0.000 1.235 608 F HN 0.807 nan 8.300 nan 0.000 0.565 609 A N 0.815 123.730 122.820 0.158 0.000 1.986 609 A HA -0.240 4.087 4.320 0.011 0.000 0.220 609 A C 1.707 179.271 177.584 -0.033 0.000 1.171 609 A CA 1.998 54.068 52.037 0.054 0.000 0.640 609 A CB -0.917 18.140 19.000 0.095 0.000 0.811 609 A HN 0.805 nan 8.150 nan 0.000 0.451 610 D N -2.774 117.626 120.400 -0.001 0.000 2.336 610 D HA 0.079 4.726 4.640 0.011 0.000 0.229 610 D C 0.653 176.948 176.300 -0.008 0.000 1.061 610 D CA 0.182 54.154 54.000 -0.047 0.000 0.875 610 D CB -0.148 40.624 40.800 -0.046 0.000 0.904 610 D HN 0.229 nan 8.370 nan 0.000 0.525 611 R N -1.755 118.745 120.500 -0.001 0.000 3.804 611 R HA -0.118 4.229 4.340 0.011 0.000 0.459 611 R C -0.316 175.995 176.300 0.019 0.000 1.009 611 R CA 1.088 57.178 56.100 -0.017 0.000 1.210 611 R CB -3.136 27.187 30.300 0.037 0.000 1.860 611 R HN 0.244 nan 8.270 nan 0.000 0.526 612 T N 2.427 117.041 114.554 0.101 0.000 2.901 612 T HA 0.376 4.733 4.350 0.011 0.000 0.301 612 T C -2.304 172.524 174.700 0.214 0.000 1.012 612 T CA -0.836 61.354 62.100 0.150 0.000 1.135 612 T CB 1.152 70.115 68.868 0.158 0.000 0.936 612 T HN -0.087 nan 8.240 nan 0.000 0.539 613 P HA 0.219 nan 4.420 nan 0.000 0.277 613 P C -0.104 177.236 177.300 0.067 0.000 1.240 613 P CA -0.385 62.717 63.100 0.005 0.000 0.798 613 P CB 0.533 32.228 31.700 -0.007 0.000 0.979 614 H N 1.781 120.658 119.070 -0.322 0.000 2.499 614 H HA 0.146 4.709 4.556 0.011 0.000 0.352 614 H C -1.318 173.903 175.328 -0.179 0.000 1.237 614 H CA -1.939 53.896 56.048 -0.355 0.000 1.343 614 H CB 0.580 30.101 29.762 -0.402 0.000 1.578 614 H HN 0.309 nan 8.280 nan 0.000 0.577 615 P HA -0.146 nan 4.420 nan 0.000 0.217 615 P C 1.257 178.555 177.300 -0.003 0.000 1.150 615 P CA 1.481 64.570 63.100 -0.017 0.000 0.832 615 P CB -0.062 31.631 31.700 -0.013 0.000 0.787 616 A N -0.137 122.687 122.820 0.007 0.000 1.958 616 A HA -0.241 4.085 4.320 0.011 0.000 0.221 616 A C 2.128 179.648 177.584 -0.107 0.000 1.178 616 A CA 1.738 53.737 52.037 -0.063 0.000 0.642 616 A CB -1.751 17.195 19.000 -0.091 0.000 0.816 616 A HN 0.172 nan 8.150 nan 0.000 0.453 617 L N -0.005 121.172 121.223 -0.077 0.000 2.021 617 L HA -0.215 4.131 4.340 0.011 0.000 0.215 617 L C 2.506 179.399 176.870 0.039 0.000 1.074 617 L CA 2.956 57.784 54.840 -0.020 0.000 0.760 617 L CB -1.109 40.935 42.059 -0.024 0.000 0.889 617 L HN 0.442 nan 8.230 nan 0.000 0.433 618 T N -1.292 113.295 114.554 0.056 0.000 2.746 618 T HA -0.209 4.148 4.350 0.011 0.000 0.267 618 T C 1.726 176.510 174.700 0.140 0.000 1.039 618 T CA 1.394 63.581 62.100 0.145 0.000 1.142 618 T CB -0.265 68.675 68.868 0.120 0.000 0.866 618 T HN 0.389 nan 8.240 nan 0.000 0.444 619 E N 1.509 121.730 120.200 0.036 0.000 2.077 619 E HA -0.058 4.299 4.350 0.011 0.000 0.193 619 E C 2.223 178.779 176.600 -0.074 0.000 0.989 619 E CA 1.270 57.687 56.400 0.029 0.000 0.800 619 E CB -0.509 29.180 29.700 -0.018 0.000 0.746 619 E HN 0.465 nan 8.360 nan 0.000 0.452 620 A N 0.850 123.492 122.820 -0.296 0.000 1.898 620 A HA -0.206 4.121 4.320 0.011 0.000 0.216 620 A C 2.152 179.601 177.584 -0.224 0.000 1.181 620 A CA 1.849 53.631 52.037 -0.425 0.000 0.620 620 A CB -0.604 18.151 19.000 -0.408 0.000 0.819 620 A HN 0.266 nan 8.150 nan 0.000 0.442 621 K N -1.161 119.199 120.400 -0.066 0.000 2.032 621 K HA -0.293 4.033 4.320 0.011 0.000 0.209 621 K C 2.073 178.590 176.600 -0.138 0.000 1.048 621 K CA 2.016 58.289 56.287 -0.023 0.000 0.927 621 K CB -0.382 32.247 32.500 0.215 0.000 0.712 621 K HN 0.603 nan 8.250 nan 0.000 0.441 622 H N 0.623 119.541 119.070 -0.254 0.000 2.290 622 H HA -0.094 4.469 4.556 0.012 0.000 0.298 622 H C 2.046 177.114 175.328 -0.433 0.000 1.087 622 H CA 2.117 57.836 56.048 -0.548 0.000 1.291 622 H CB -0.091 29.373 29.762 -0.498 0.000 1.369 622 H HN 0.262 nan 8.280 nan 0.000 0.492 623 Q N 0.213 119.759 119.800 -0.423 0.000 2.181 623 Q HA -0.134 4.213 4.340 0.011 0.000 0.205 623 Q C 1.874 177.346 176.000 -0.880 0.000 0.980 623 Q CA 1.457 56.947 55.803 -0.520 0.000 0.862 623 Q CB -0.109 28.540 28.738 -0.149 0.000 0.905 623 Q HN 0.701 nan 8.270 nan 0.000 0.429 624 Q N 0.016 119.228 119.800 -0.980 0.000 2.320 624 Q HA 0.066 4.413 4.340 0.011 0.000 0.201 624 Q C -0.035 175.399 176.000 -0.944 0.000 0.910 624 Q CA -0.251 54.812 55.803 -1.233 0.000 0.946 624 Q CB 0.369 28.426 28.738 -1.136 0.000 1.062 624 Q HN 0.379 nan 8.270 nan 0.000 0.503 625 Q N -0.522 118.887 119.800 -0.651 0.000 2.394 625 Q HA -0.090 4.257 4.340 0.011 0.000 0.303 625 Q C -0.122 175.520 176.000 -0.596 0.000 1.117 625 Q CA 0.459 56.011 55.803 -0.418 0.000 0.966 625 Q CB 0.443 29.030 28.738 -0.252 0.000 1.275 625 Q HN 0.294 nan 8.270 nan 0.000 0.429 626 F N 0.341 120.057 119.950 -0.390 0.000 2.776 626 F HA 0.199 4.732 4.527 0.010 0.000 0.300 626 F C -0.108 175.143 175.800 -0.915 0.000 1.116 626 F CA -0.027 57.500 58.000 -0.789 0.000 1.375 626 F CB 0.481 38.643 39.000 -1.398 0.000 1.109 626 F HN 0.286 nan 8.300 nan 0.000 0.585 627 F N 0.450 120.356 119.950 -0.074 0.000 2.495 627 F HA 0.510 5.044 4.527 0.012 0.000 0.327 627 F C -0.082 175.440 175.800 -0.464 0.000 1.103 627 F CA -1.121 56.737 58.000 -0.237 0.000 0.949 627 F CB 1.223 40.114 39.000 -0.183 0.000 1.142 627 F HN -0.316 nan 8.300 nan 0.000 0.457 628 Q N 3.050 122.603 119.800 -0.412 0.000 2.309 628 Q HA 0.541 4.888 4.340 0.011 0.000 0.264 628 Q C -1.421 174.249 176.000 -0.550 0.000 1.008 628 Q CA -0.626 54.971 55.803 -0.345 0.000 0.853 628 Q CB 2.809 31.462 28.738 -0.142 0.000 1.314 628 Q HN 0.539 nan 8.270 nan 0.000 0.448 629 F N 1.127 121.206 119.950 0.215 0.000 2.540 629 F HA 0.570 5.104 4.527 0.012 0.000 0.317 629 F C 0.223 176.298 175.800 0.459 0.000 1.104 629 F CA -0.995 57.224 58.000 0.365 0.000 0.913 629 F CB 1.559 40.907 39.000 0.580 0.000 1.170 629 F HN 0.099 nan 8.300 nan 0.000 0.450 630 R N 2.190 122.997 120.500 0.512 0.000 2.686 630 R HA 0.699 5.045 4.340 0.011 0.000 0.286 630 R C -1.662 174.662 176.300 0.041 0.000 0.969 630 R CA -1.188 55.111 56.100 0.332 0.000 0.898 630 R CB 1.958 32.354 30.300 0.160 0.000 1.183 630 R HN 0.643 nan 8.270 nan 0.000 0.456 631 L N 0.343 121.427 121.223 -0.231 0.000 2.346 631 L HA 0.731 5.078 4.340 0.011 0.000 0.276 631 L C -0.769 175.902 176.870 -0.333 0.000 1.006 631 L CA 0.071 54.516 54.840 -0.658 0.000 0.817 631 L CB 2.201 43.246 42.059 -1.690 0.000 1.272 631 L HN 0.603 nan 8.230 nan 0.000 0.421 632 S N 4.018 119.557 115.700 -0.269 0.000 2.511 632 S HA 0.662 5.139 4.470 0.011 0.000 0.233 632 S C 0.177 174.682 174.600 -0.158 0.000 1.104 632 S CA 0.312 58.414 58.200 -0.164 0.000 1.129 632 S CB -0.093 63.049 63.200 -0.097 0.000 1.159 632 S HN 1.871 nan 8.310 nan 0.000 0.451 633 G N 4.335 113.039 108.800 -0.160 0.000 2.557 633 G HA2 -0.303 3.663 3.960 0.011 0.000 0.292 633 G HA3 -0.303 3.663 3.960 0.011 0.000 0.292 633 G C 0.338 175.131 174.900 -0.179 0.000 1.162 633 G CA 0.631 45.647 45.100 -0.140 0.000 0.964 633 G HN 0.720 nan 8.290 nan 0.000 0.541 634 Q N 1.022 120.723 119.800 -0.165 0.000 2.172 634 Q HA 0.311 4.658 4.340 0.011 0.000 0.217 634 Q C -0.222 175.649 176.000 -0.213 0.000 0.832 634 Q CA 0.421 56.101 55.803 -0.205 0.000 1.010 634 Q CB 0.679 29.304 28.738 -0.188 0.000 1.133 634 Q HN 0.526 nan 8.270 nan 0.000 0.489 635 T N 0.691 115.133 114.554 -0.187 0.000 2.767 635 T HA 0.482 4.839 4.350 0.011 0.000 0.284 635 T C -0.053 174.535 174.700 -0.187 0.000 0.973 635 T CA -0.317 61.692 62.100 -0.152 0.000 0.996 635 T CB 1.190 69.997 68.868 -0.101 0.000 0.927 635 T HN 0.064 nan 8.240 nan 0.000 0.456 636 I N 2.635 123.118 120.570 -0.145 0.000 2.359 636 I HA 0.335 4.511 4.170 0.011 0.000 0.294 636 I C 0.495 176.625 176.117 0.022 0.000 0.987 636 I CA -0.599 60.638 61.300 -0.105 0.000 1.225 636 I CB 1.404 39.387 38.000 -0.029 0.000 1.366 636 I HN 0.606 nan 8.210 nan 0.000 0.466 637 E N 6.714 126.954 120.200 0.068 0.000 2.129 637 E HA 0.414 4.771 4.350 0.011 0.000 0.268 637 E C -1.607 175.062 176.600 0.114 0.000 0.900 637 E CA -0.620 55.825 56.400 0.076 0.000 0.755 637 E CB 1.583 31.308 29.700 0.041 0.000 1.117 637 E HN 0.375 nan 8.360 nan 0.000 0.410 638 V N 4.237 124.202 119.914 0.085 0.000 2.383 638 V HA 0.305 4.432 4.120 0.011 0.000 0.275 638 V C 0.095 176.175 176.094 -0.024 0.000 1.036 638 V CA -0.471 61.820 62.300 -0.014 0.000 0.889 638 V CB 1.410 33.269 31.823 0.059 0.000 0.985 638 V HN 0.689 nan 8.190 nan 0.000 0.459 639 T N 3.395 117.891 114.554 -0.097 0.000 2.823 639 T HA 0.388 4.744 4.350 0.011 0.000 0.279 639 T C -0.049 174.630 174.700 -0.035 0.000 0.998 639 T CA -0.338 61.735 62.100 -0.045 0.000 0.994 639 T CB 1.596 70.429 68.868 -0.058 0.000 0.960 639 T HN 0.687 nan 8.240 nan 0.000 0.448 640 S N 1.667 117.363 115.700 -0.006 0.000 2.442 640 S HA 0.257 4.733 4.470 0.011 0.000 0.297 640 S C 0.655 175.168 174.600 -0.146 0.000 1.131 640 S CA -0.657 57.500 58.200 -0.072 0.000 1.092 640 S CB 0.664 63.897 63.200 0.056 0.000 0.998 640 S HN 0.711 nan 8.310 nan 0.000 0.478 641 E N 3.155 123.188 120.200 -0.279 0.000 2.474 641 E HA 0.084 4.441 4.350 0.011 0.000 0.195 641 E C -0.721 175.733 176.600 -0.244 0.000 1.039 641 E CA -0.084 56.167 56.400 -0.247 0.000 0.881 641 E CB 0.256 29.791 29.700 -0.275 0.000 0.970 641 E HN 0.703 nan 8.360 nan 0.000 0.486 642 Y N 0.557 120.763 120.300 -0.157 0.000 2.411 642 Y HA -0.015 4.542 4.550 0.011 0.000 0.333 642 Y C 1.391 177.136 175.900 -0.258 0.000 1.186 642 Y CA -0.010 57.980 58.100 -0.183 0.000 1.381 642 Y CB 0.701 39.036 38.460 -0.208 0.000 1.273 642 Y HN -0.018 nan 8.280 nan 0.000 0.546 643 L N 1.971 123.020 121.223 -0.289 0.000 2.513 643 L HA 0.078 4.425 4.340 0.011 0.000 0.222 643 L C 0.534 176.951 176.870 -0.755 0.000 1.096 643 L CA 0.516 54.941 54.840 -0.691 0.000 0.857 643 L CB 0.007 41.291 42.059 -1.291 0.000 1.026 643 L HN 0.641 nan 8.230 nan 0.000 0.469 644 F N -0.502 119.470 119.950 0.036 0.000 2.658 644 F HA 0.222 4.755 4.527 0.010 0.000 0.293 644 F C 1.246 177.032 175.800 -0.023 0.000 0.986 644 F CA -0.843 57.148 58.000 -0.015 0.000 1.182 644 F CB 0.272 39.239 39.000 -0.054 0.000 0.965 644 F HN -0.161 nan 8.300 nan 0.000 0.659 645 R N 0.453 121.003 120.500 0.083 0.000 2.573 645 R HA 0.465 4.812 4.340 0.011 0.000 0.272 645 R C -1.004 175.304 176.300 0.014 0.000 1.009 645 R CA -0.675 55.419 56.100 -0.010 0.000 1.059 645 R CB 0.884 31.071 30.300 -0.188 0.000 1.112 645 R HN 0.132 nan 8.270 nan 0.000 0.517 646 H N 0.366 119.422 119.070 -0.023 0.000 2.482 646 H HA 0.149 4.712 4.556 0.011 0.000 0.344 646 H C -0.269 175.081 175.328 0.037 0.000 1.151 646 H CA -0.370 55.698 56.048 0.032 0.000 1.300 646 H CB 1.293 31.078 29.762 0.038 0.000 1.494 646 H HN 0.759 nan 8.280 nan 0.000 0.542 647 S N 2.731 118.311 115.700 -0.201 0.000 3.829 647 S HA -0.023 4.454 4.470 0.011 0.000 0.250 647 S C -0.166 174.579 174.600 0.242 0.000 1.263 647 S CA -0.313 57.954 58.200 0.111 0.000 0.955 647 S CB -0.620 62.676 63.200 0.160 0.000 1.611 647 S HN 0.725 nan 8.310 nan 0.000 0.483 648 D N 0.838 121.382 120.400 0.239 0.000 2.427 648 D HA 0.114 4.761 4.640 0.011 0.000 0.224 648 D C 0.217 176.582 176.300 0.108 0.000 1.157 648 D CA -0.437 53.684 54.000 0.201 0.000 0.828 648 D CB -0.347 40.541 40.800 0.148 0.000 0.974 648 D HN 0.506 nan 8.370 nan 0.000 0.498 649 N N 0.278 119.041 118.700 0.105 0.000 2.604 649 N HA 0.113 4.860 4.740 0.011 0.000 0.284 649 N C -1.555 174.014 175.510 0.097 0.000 1.716 649 N CA -0.155 52.941 53.050 0.077 0.000 0.859 649 N CB 0.346 38.862 38.487 0.048 0.000 1.403 649 N HN -0.068 nan 8.380 nan 0.000 0.501 650 E N 0.157 120.410 120.200 0.088 0.000 2.278 650 E HA 0.497 4.854 4.350 0.011 0.000 0.272 650 E C -1.601 175.018 176.600 0.031 0.000 0.890 650 E CA -0.661 55.769 56.400 0.049 0.000 0.770 650 E CB 2.465 32.152 29.700 -0.022 0.000 1.212 650 E HN 0.270 nan 8.360 nan 0.000 0.415 651 L N 2.792 124.031 121.223 0.026 0.000 2.408 651 L HA 0.634 4.981 4.340 0.011 0.000 0.268 651 L C -1.930 174.987 176.870 0.079 0.000 0.986 651 L CA -0.962 53.920 54.840 0.071 0.000 0.820 651 L CB 1.551 43.673 42.059 0.106 0.000 1.303 651 L HN 0.568 nan 8.230 nan 0.000 0.411 652 L N 4.657 125.971 121.223 0.152 0.000 2.257 652 L HA 0.523 4.869 4.340 0.011 0.000 0.290 652 L C -0.944 176.136 176.870 0.349 0.000 1.044 652 L CA 0.216 55.179 54.840 0.205 0.000 0.810 652 L CB 0.194 42.384 42.059 0.219 0.000 1.193 652 L HN 0.629 nan 8.230 nan 0.000 0.425 653 H N 5.200 124.327 119.070 0.095 0.000 2.473 653 H HA 0.500 5.063 4.556 0.011 0.000 0.327 653 H C -0.881 174.526 175.328 0.131 0.000 1.105 653 H CA -0.616 55.453 56.048 0.035 0.000 1.280 653 H CB 0.854 30.603 29.762 -0.021 0.000 1.450 653 H HN 0.675 nan 8.280 nan 0.000 0.492 654 W N 3.811 125.195 121.300 0.141 0.000 2.844 654 W HA 0.684 5.350 4.660 0.011 0.000 0.340 654 W C -1.817 174.748 176.519 0.076 0.000 1.093 654 W CA -1.010 56.400 57.345 0.109 0.000 1.212 654 W CB 1.852 31.369 29.460 0.096 0.000 1.422 654 W HN 0.329 nan 8.180 nan 0.000 0.515 655 M N 3.136 123.043 119.600 0.512 0.000 2.421 655 M HA 0.429 4.915 4.480 0.011 0.000 0.287 655 M C -2.072 174.495 176.300 0.446 0.000 1.183 655 M CA -0.581 54.899 55.300 0.301 0.000 0.916 655 M CB 2.664 35.312 32.600 0.080 0.000 1.701 655 M HN 0.339 nan 8.290 nan 0.000 0.470 656 V N 2.731 122.884 119.914 0.398 0.000 2.444 656 V HA 0.893 5.020 4.120 0.011 0.000 0.294 656 V C -0.342 175.878 176.094 0.210 0.000 1.022 656 V CA -0.643 61.854 62.300 0.328 0.000 0.850 656 V CB 1.268 33.291 31.823 0.334 0.000 0.992 656 V HN 0.922 nan 8.190 nan 0.000 0.426 657 A N 4.447 127.397 122.820 0.216 0.000 2.454 657 A HA 0.954 5.281 4.320 0.011 0.000 0.302 657 A C -1.438 176.280 177.584 0.223 0.000 1.079 657 A CA -0.670 51.462 52.037 0.159 0.000 0.731 657 A CB 1.885 20.932 19.000 0.078 0.000 1.299 657 A HN 0.934 nan 8.150 nan 0.000 0.413 658 L N 1.053 122.372 121.223 0.160 0.000 2.298 658 L HA 0.573 4.920 4.340 0.011 0.000 0.284 658 L C -0.757 176.222 176.870 0.181 0.000 1.013 658 L CA 0.119 55.072 54.840 0.189 0.000 0.824 658 L CB 0.764 42.896 42.059 0.122 0.000 1.221 658 L HN 0.751 nan 8.230 nan 0.000 0.418 659 D N 4.855 125.440 120.400 0.309 0.000 2.720 659 D HA -0.195 4.451 4.640 0.011 0.000 0.229 659 D C 1.178 177.506 176.300 0.047 0.000 1.198 659 D CA 1.626 55.779 54.000 0.255 0.000 0.639 659 D CB -1.022 39.897 40.800 0.198 0.000 1.003 659 D HN 1.200 nan 8.370 nan 0.000 0.411 660 G N -1.047 107.729 108.800 -0.040 0.000 2.258 660 G HA2 -0.363 3.604 3.960 0.011 0.000 0.233 660 G HA3 -0.363 3.604 3.960 0.011 0.000 0.233 660 G C 0.139 174.950 174.900 -0.149 0.000 1.006 660 G CA 0.369 45.337 45.100 -0.219 0.000 0.620 660 G HN 0.520 nan 8.290 nan 0.000 0.511 661 K N 1.997 122.366 120.400 -0.052 0.000 2.248 661 K HA 0.586 4.912 4.320 0.011 0.000 0.281 661 K C -2.794 173.802 176.600 -0.007 0.000 1.054 661 K CA -2.123 54.142 56.287 -0.038 0.000 0.903 661 K CB 1.342 33.829 32.500 -0.022 0.000 1.077 661 K HN 0.068 nan 8.250 nan 0.000 0.474 662 P HA 0.014 nan 4.420 nan 0.000 0.266 662 P C -0.141 177.163 177.300 0.006 0.000 1.215 662 P CA 0.082 63.170 63.100 -0.019 0.000 0.763 662 P CB 0.593 32.259 31.700 -0.056 0.000 0.806 663 L N 2.323 123.570 121.223 0.041 0.000 2.416 663 L HA 0.405 4.752 4.340 0.011 0.000 0.188 663 L C 1.012 177.914 176.870 0.053 0.000 1.145 663 L CA 0.613 55.486 54.840 0.056 0.000 0.826 663 L CB -0.360 41.756 42.059 0.095 0.000 1.064 663 L HN 0.314 nan 8.230 nan 0.000 0.490 664 A N -0.781 122.099 122.820 0.100 0.000 2.469 664 A HA 0.653 4.980 4.320 0.011 0.000 0.299 664 A C -0.672 176.875 177.584 -0.062 0.000 1.098 664 A CA -0.053 52.040 52.037 0.095 0.000 0.737 664 A CB 1.976 21.156 19.000 0.300 0.000 1.312 664 A HN 0.243 nan 8.150 nan 0.000 0.414 665 S N -0.565 114.871 115.700 -0.438 0.000 2.705 665 S HA 0.942 5.419 4.470 0.011 0.000 0.280 665 S C -0.336 173.326 174.600 -1.564 0.000 1.174 665 S CA 0.219 57.849 58.200 -0.951 0.000 0.823 665 S CB 1.373 64.278 63.200 -0.492 0.000 1.162 665 S HN 2.655 nan 8.310 nan 0.000 0.487 666 G N 0.116 107.927 108.800 -1.648 0.000 2.328 666 G HA2 0.494 4.461 3.960 0.011 0.000 0.295 666 G HA3 0.494 4.461 3.960 0.011 0.000 0.295 666 G C -1.962 172.423 174.900 -0.859 0.000 1.413 666 G CA -0.101 44.276 45.100 -1.205 0.000 0.817 666 G HN 1.080 nan 8.290 nan 0.000 0.546 667 E N -1.443 118.580 120.200 -0.295 0.000 2.366 667 E HA 0.702 5.058 4.350 0.011 0.000 0.278 667 E C -1.937 174.740 176.600 0.127 0.000 0.923 667 E CA -0.951 55.407 56.400 -0.071 0.000 0.761 667 E CB 2.687 32.251 29.700 -0.227 0.000 1.231 667 E HN 0.725 nan 8.360 nan 0.000 0.443 668 V N 2.866 122.900 119.914 0.200 0.000 2.752 668 V HA 0.406 4.532 4.120 0.011 0.000 0.302 668 V C -2.534 173.652 176.094 0.152 0.000 1.133 668 V CA -1.661 60.747 62.300 0.179 0.000 0.919 668 V CB 2.046 33.996 31.823 0.212 0.000 1.026 668 V HN 0.676 nan 8.190 nan 0.000 0.429 669 P HA 0.258 nan 4.420 nan 0.000 0.271 669 P C -0.711 176.646 177.300 0.096 0.000 1.216 669 P CA -0.020 63.141 63.100 0.102 0.000 0.771 669 P CB 0.876 32.631 31.700 0.092 0.000 0.864 670 L N 3.012 124.279 121.223 0.073 0.000 2.312 670 L HA 0.323 4.669 4.340 0.011 0.000 0.281 670 L C 0.464 177.389 176.870 0.091 0.000 1.070 670 L CA 0.148 55.016 54.840 0.047 0.000 0.805 670 L CB 0.735 42.756 42.059 -0.063 0.000 1.174 670 L HN 0.296 nan 8.230 nan 0.000 0.434 671 D N 2.618 123.074 120.400 0.094 0.000 2.552 671 D HA 0.295 4.941 4.640 0.011 0.000 0.285 671 D C -1.332 174.971 176.300 0.005 0.000 1.206 671 D CA 0.087 54.197 54.000 0.182 0.000 0.826 671 D CB 1.265 42.214 40.800 0.248 0.000 1.179 671 D HN 0.077 nan 8.370 nan 0.000 0.508 672 V N 1.248 120.976 119.914 -0.311 0.000 2.588 672 V HA 0.875 5.002 4.120 0.011 0.000 0.304 672 V C -0.250 175.581 176.094 -0.438 0.000 1.042 672 V CA -0.575 61.602 62.300 -0.206 0.000 0.877 672 V CB 1.543 33.372 31.823 0.010 0.000 0.996 672 V HN 0.413 nan 8.190 nan 0.000 0.425 673 A N 8.426 131.165 122.820 -0.135 0.000 2.313 673 A HA 0.752 5.079 4.320 0.011 0.000 0.261 673 A C -2.477 175.112 177.584 0.009 0.000 1.090 673 A CA -1.393 50.651 52.037 0.012 0.000 0.807 673 A CB 0.017 19.090 19.000 0.122 0.000 1.055 673 A HN 0.761 nan 8.150 nan 0.000 0.492 674 P HA 0.064 nan 4.420 nan 0.000 0.267 674 P C -0.669 176.625 177.300 -0.009 0.000 1.205 674 P CA 0.511 63.624 63.100 0.021 0.000 0.765 674 P CB 0.717 32.414 31.700 -0.005 0.000 0.828 675 Q N -0.856 118.926 119.800 -0.030 0.000 2.416 675 Q HA -0.152 4.195 4.340 0.011 0.000 0.235 675 Q C 0.652 176.643 176.000 -0.014 0.000 0.773 675 Q CA 1.621 57.400 55.803 -0.040 0.000 1.286 675 Q CB -2.680 26.029 28.738 -0.047 0.000 1.556 675 Q HN 0.741 nan 8.270 nan 0.000 0.650 676 G N 0.285 109.087 108.800 0.003 0.000 2.557 676 G HA2 0.584 4.551 3.960 0.011 0.000 0.302 676 G HA3 0.584 4.551 3.960 0.011 0.000 0.302 676 G C -0.499 174.412 174.900 0.019 0.000 1.311 676 G CA -0.551 44.558 45.100 0.015 0.000 1.030 676 G HN -0.023 nan 8.290 nan 0.000 0.509 677 K N -0.868 119.547 120.400 0.025 0.000 2.328 677 K HA 0.544 4.871 4.320 0.011 0.000 0.246 677 K C -0.701 175.923 176.600 0.040 0.000 0.955 677 K CA -0.553 55.751 56.287 0.028 0.000 0.817 677 K CB 2.308 34.820 32.500 0.020 0.000 1.208 677 K HN 0.503 nan 8.250 nan 0.000 0.432 678 Q N 2.960 122.787 119.800 0.046 0.000 2.284 678 Q HA 0.367 4.713 4.340 0.011 0.000 0.269 678 Q C -1.687 174.346 176.000 0.055 0.000 1.026 678 Q CA -0.611 55.224 55.803 0.054 0.000 0.831 678 Q CB 1.342 30.118 28.738 0.064 0.000 1.322 678 Q HN 0.539 nan 8.270 nan 0.000 0.419 679 L N 5.003 126.252 121.223 0.044 0.000 2.295 679 L HA 0.584 4.931 4.340 0.011 0.000 0.285 679 L C -0.583 176.304 176.870 0.029 0.000 1.035 679 L CA -0.625 54.233 54.840 0.030 0.000 0.806 679 L CB 1.340 43.407 42.059 0.013 0.000 1.214 679 L HN 0.605 nan 8.230 nan 0.000 0.426 680 I N 3.275 123.855 120.570 0.017 0.000 2.468 680 I HA 0.222 4.399 4.170 0.011 0.000 0.284 680 I C -0.594 175.487 176.117 -0.060 0.000 1.038 680 I CA -0.762 60.540 61.300 0.004 0.000 1.083 680 I CB 1.883 39.910 38.000 0.046 0.000 1.223 680 I HN 0.457 nan 8.210 nan 0.000 0.443 681 E N 6.735 126.898 120.200 -0.062 0.000 2.223 681 E HA 0.350 4.707 4.350 0.011 0.000 0.282 681 E C -0.297 176.207 176.600 -0.160 0.000 1.046 681 E CA -0.377 55.962 56.400 -0.101 0.000 0.857 681 E CB 1.623 31.284 29.700 -0.065 0.000 1.055 681 E HN 0.489 nan 8.360 nan 0.000 0.409 682 L N 5.252 126.327 121.223 -0.246 0.000 2.397 682 L HA 0.191 4.537 4.340 0.011 0.000 0.271 682 L C -1.768 174.968 176.870 -0.223 0.000 1.148 682 L CA -1.623 52.993 54.840 -0.374 0.000 0.825 682 L CB 0.362 42.092 42.059 -0.549 0.000 1.117 682 L HN 0.184 nan 8.230 nan 0.000 0.456 683 P HA -0.015 nan 4.420 nan 0.000 0.272 683 P C -0.535 176.725 177.300 -0.066 0.000 1.254 683 P CA -0.411 62.660 63.100 -0.049 0.000 0.795 683 P CB 0.384 32.118 31.700 0.057 0.000 1.022 684 E N 0.555 120.739 120.200 -0.026 0.000 2.414 684 E HA 0.056 4.412 4.350 0.011 0.000 0.263 684 E C -0.808 175.788 176.600 -0.005 0.000 1.000 684 E CA -0.044 56.341 56.400 -0.025 0.000 0.914 684 E CB 0.078 29.772 29.700 -0.009 0.000 0.948 684 E HN 0.246 nan 8.360 nan 0.000 0.444 685 L N 5.954 127.168 121.223 -0.015 0.000 2.322 685 L HA 0.446 4.793 4.340 0.011 0.000 0.279 685 L C -2.026 174.859 176.870 0.026 0.000 1.036 685 L CA -2.321 52.531 54.840 0.020 0.000 0.807 685 L CB 1.123 43.191 42.059 0.014 0.000 1.226 685 L HN 0.479 nan 8.230 nan 0.000 0.433 686 P HA 0.094 nan 4.420 nan 0.000 0.270 686 P C -1.214 176.103 177.300 0.029 0.000 1.223 686 P CA -0.353 62.768 63.100 0.035 0.000 0.785 686 P CB 0.498 32.223 31.700 0.043 0.000 0.923 687 Q N 1.268 121.081 119.800 0.022 0.000 2.240 687 Q HA 0.723 5.069 4.340 0.011 0.000 0.260 687 Q C -2.217 173.796 176.000 0.022 0.000 1.018 687 Q CA -1.498 54.316 55.803 0.018 0.000 0.898 687 Q CB 0.634 29.378 28.738 0.010 0.000 1.301 687 Q HN 0.415 nan 8.270 nan 0.000 0.469 688 P HA 0.363 nan 4.420 nan 0.000 0.325 688 P C -0.963 176.350 177.300 0.021 0.000 1.788 688 P CA -0.408 62.706 63.100 0.024 0.000 1.418 688 P CB 1.716 33.435 31.700 0.033 0.000 1.504 689 E N -0.205 120.006 120.200 0.018 0.000 2.427 689 E HA 0.003 4.359 4.350 0.011 0.000 0.196 689 E C 0.826 177.438 176.600 0.021 0.000 1.028 689 E CA 0.434 56.844 56.400 0.016 0.000 0.864 689 E CB -0.038 29.671 29.700 0.014 0.000 0.813 689 E HN 0.349 nan 8.360 nan 0.000 0.514 690 S N 0.867 116.582 115.700 0.025 0.000 2.596 690 S HA 0.202 4.679 4.470 0.011 0.000 0.298 690 S C 0.360 174.982 174.600 0.036 0.000 1.255 690 S CA -0.248 57.971 58.200 0.031 0.000 1.083 690 S CB 0.034 63.254 63.200 0.033 0.000 0.837 690 S HN 0.308 nan 8.310 nan 0.000 0.499 691 A N 4.386 127.229 122.820 0.039 0.000 2.507 691 A HA 0.583 4.910 4.320 0.011 0.000 0.235 691 A C 1.114 178.732 177.584 0.057 0.000 1.070 691 A CA 0.454 52.517 52.037 0.043 0.000 0.768 691 A CB -0.793 18.235 19.000 0.046 0.000 1.011 691 A HN 2.142 nan 8.150 nan 0.000 0.502 692 G N -0.381 108.453 108.800 0.056 0.000 2.408 692 G HA2 0.346 4.313 3.960 0.011 0.000 0.682 692 G HA3 0.346 4.313 3.960 0.011 0.000 0.682 692 G C -0.755 174.180 174.900 0.058 0.000 1.303 692 G CA -0.040 45.108 45.100 0.080 0.000 0.966 692 G HN 1.312 nan 8.290 nan 0.000 0.560 693 Q N -0.351 119.504 119.800 0.092 0.000 2.278 693 Q HA 0.708 5.055 4.340 0.011 0.000 0.257 693 Q C 0.043 176.080 176.000 0.062 0.000 0.928 693 Q CA -0.569 55.226 55.803 -0.013 0.000 0.932 693 Q CB 1.127 29.782 28.738 -0.139 0.000 1.221 693 Q HN 0.597 nan 8.270 nan 0.000 0.434 694 L N 4.535 125.722 121.223 -0.059 0.000 2.349 694 L HA 0.408 4.755 4.340 0.011 0.000 0.275 694 L C -0.896 175.942 176.870 -0.053 0.000 1.115 694 L CA -0.268 54.596 54.840 0.040 0.000 0.820 694 L CB 0.621 42.684 42.059 0.006 0.000 1.135 694 L HN 0.733 nan 8.230 nan 0.000 0.445 695 W N 4.571 125.938 121.300 0.113 0.000 2.839 695 W HA 0.442 5.109 4.660 0.011 0.000 0.334 695 W C -0.846 175.780 176.519 0.178 0.000 1.064 695 W CA -0.498 56.935 57.345 0.147 0.000 1.236 695 W CB 1.683 31.254 29.460 0.186 0.000 1.405 695 W HN 0.130 nan 8.180 nan 0.000 0.478 696 L N 3.792 125.282 121.223 0.446 0.000 2.295 696 L HA 0.780 5.127 4.340 0.011 0.000 0.285 696 L C -0.255 176.902 176.870 0.479 0.000 1.035 696 L CA 0.255 55.344 54.840 0.415 0.000 0.806 696 L CB 1.187 43.456 42.059 0.351 0.000 1.214 696 L HN 0.339 nan 8.230 nan 0.000 0.426 697 T N 4.816 119.608 114.554 0.397 0.000 2.861 697 T HA 0.699 5.055 4.350 0.011 0.000 0.287 697 T C -0.819 174.066 174.700 0.308 0.000 1.003 697 T CA -0.474 61.815 62.100 0.315 0.000 0.977 697 T CB 1.700 70.694 68.868 0.211 0.000 0.996 697 T HN 0.621 nan 8.240 nan 0.000 0.448 698 V N 0.832 120.882 119.914 0.227 0.000 2.823 698 V HA 0.852 4.979 4.120 0.011 0.000 0.312 698 V C -1.120 175.026 176.094 0.086 0.000 1.072 698 V CA -1.112 61.291 62.300 0.170 0.000 0.937 698 V CB 2.123 34.000 31.823 0.089 0.000 1.013 698 V HN 0.835 nan 8.190 nan 0.000 0.430 699 R N 2.571 123.143 120.500 0.121 0.000 2.621 699 R HA 0.725 5.071 4.340 0.011 0.000 0.284 699 R C -1.654 174.700 176.300 0.091 0.000 0.998 699 R CA -0.744 55.435 56.100 0.132 0.000 0.895 699 R CB 2.528 32.867 30.300 0.064 0.000 1.195 699 R HN 0.668 nan 8.270 nan 0.000 0.450 700 V N 3.177 123.174 119.914 0.138 0.000 2.394 700 V HA 0.369 4.495 4.120 0.011 0.000 0.282 700 V C 0.021 176.133 176.094 0.030 0.000 1.031 700 V CA -0.632 61.714 62.300 0.078 0.000 0.881 700 V CB 1.703 33.574 31.823 0.079 0.000 0.982 700 V HN 0.432 nan 8.190 nan 0.000 0.451 701 V N 4.829 124.700 119.914 -0.072 0.000 2.680 701 V HA 0.421 4.548 4.120 0.011 0.000 0.309 701 V C -0.355 175.740 176.094 0.001 0.000 1.052 701 V CA -0.801 61.438 62.300 -0.102 0.000 0.908 701 V CB 2.029 33.634 31.823 -0.364 0.000 1.001 701 V HN 0.900 nan 8.190 nan 0.000 0.431 702 Q N 4.827 124.667 119.800 0.067 0.000 2.421 702 Q HA 0.266 4.613 4.340 0.011 0.000 0.242 702 Q C -1.824 174.193 176.000 0.028 0.000 1.024 702 Q CA -1.770 54.081 55.803 0.079 0.000 0.891 702 Q CB 1.733 30.541 28.738 0.116 0.000 1.222 702 Q HN 0.477 nan 8.270 nan 0.000 0.483 703 P HA -0.214 nan 4.420 nan 0.000 0.215 703 P C -0.548 176.752 177.300 -0.001 0.000 1.153 703 P CA 1.335 64.446 63.100 0.019 0.000 0.853 703 P CB 0.297 32.016 31.700 0.033 0.000 0.788 704 N N -0.802 117.889 118.700 -0.015 0.000 2.495 704 N HA 0.440 5.186 4.740 0.011 0.000 0.280 704 N C -0.208 175.249 175.510 -0.088 0.000 1.168 704 N CA -0.755 52.271 53.050 -0.040 0.000 0.978 704 N CB 0.719 39.186 38.487 -0.034 0.000 1.191 704 N HN -0.034 nan 8.380 nan 0.000 0.497 705 A N 0.326 123.088 122.820 -0.096 0.000 2.313 705 A HA 0.547 4.873 4.320 0.011 0.000 0.261 705 A C 0.499 177.951 177.584 -0.221 0.000 1.090 705 A CA -0.132 51.810 52.037 -0.158 0.000 0.807 705 A CB 0.107 19.040 19.000 -0.112 0.000 1.055 705 A HN 0.729 nan 8.150 nan 0.000 0.492 706 T N -3.695 110.641 114.554 -0.364 0.000 2.693 706 T HA 0.622 4.979 4.350 0.011 0.000 0.278 706 T C 0.861 175.374 174.700 -0.312 0.000 0.994 706 T CA 0.082 61.935 62.100 -0.410 0.000 1.033 706 T CB 1.041 69.411 68.868 -0.830 0.000 1.342 706 T HN 1.353 nan 8.240 nan 0.000 0.538 707 A N -0.198 122.528 122.820 -0.158 0.000 2.119 707 A HA 0.157 4.483 4.320 0.011 0.000 0.217 707 A C 1.539 179.267 177.584 0.240 0.000 1.153 707 A CA 0.802 52.880 52.037 0.069 0.000 0.692 707 A CB -0.814 18.258 19.000 0.120 0.000 0.799 707 A HN 0.896 nan 8.150 nan 0.000 0.458 708 W N -0.694 120.670 121.300 0.108 0.000 2.702 708 W HA 0.417 5.084 4.660 0.012 0.000 0.369 708 W C -0.354 176.141 176.519 -0.040 0.000 0.987 708 W CA 0.404 57.784 57.345 0.058 0.000 1.702 708 W CB -0.995 28.488 29.460 0.038 0.000 1.138 708 W HN 0.353 nan 8.180 nan 0.000 0.552 709 S N 0.739 116.004 115.700 -0.725 0.000 2.536 709 S HA 0.429 4.906 4.470 0.011 0.000 0.271 709 S C -0.759 173.615 174.600 -0.378 0.000 1.134 709 S CA -0.808 56.990 58.200 -0.670 0.000 0.897 709 S CB 2.278 64.631 63.200 -1.411 0.000 1.094 709 S HN 0.198 nan 8.310 nan 0.000 0.473 710 E N 1.719 121.825 120.200 -0.157 0.000 2.349 710 E HA 0.646 5.003 4.350 0.011 0.000 0.265 710 E C 0.273 176.840 176.600 -0.055 0.000 1.064 710 E CA -1.023 55.332 56.400 -0.075 0.000 0.886 710 E CB 0.547 30.244 29.700 -0.005 0.000 1.036 710 E HN 0.889 nan 8.360 nan 0.000 0.413 711 A N 1.634 124.427 122.820 -0.044 0.000 2.520 711 A HA 0.393 4.720 4.320 0.011 0.000 0.235 711 A C 1.389 178.978 177.584 0.007 0.000 1.065 711 A CA 0.397 52.420 52.037 -0.024 0.000 0.764 711 A CB -0.878 18.111 19.000 -0.017 0.000 1.002 711 A HN 1.330 nan 8.150 nan 0.000 0.502 712 G N 0.122 108.931 108.800 0.015 0.000 2.176 712 G HA2 -0.262 3.705 3.960 0.011 0.000 0.253 712 G HA3 -0.262 3.705 3.960 0.011 0.000 0.253 712 G C 0.290 175.208 174.900 0.030 0.000 0.979 712 G CA 0.769 45.875 45.100 0.010 0.000 0.641 712 G HN 1.796 nan 8.290 nan 0.000 0.530 713 H N 1.212 120.263 119.070 -0.031 0.000 3.140 713 H HA 0.301 4.863 4.556 0.011 0.000 0.316 713 H C 0.959 176.324 175.328 0.061 0.000 0.986 713 H CA 0.540 56.595 56.048 0.012 0.000 1.397 713 H CB 0.134 29.885 29.762 -0.018 0.000 1.377 713 H HN 0.308 nan 8.280 nan 0.000 0.585 714 I N 4.957 125.238 120.570 -0.482 0.000 2.325 714 I HA 0.022 4.198 4.170 0.011 0.000 0.291 714 I C 0.948 176.902 176.117 -0.272 0.000 1.019 714 I CA 0.056 61.205 61.300 -0.252 0.000 1.302 714 I CB 1.438 39.349 38.000 -0.149 0.000 1.401 714 I HN 0.751 nan 8.210 nan 0.000 0.485 715 S N 4.147 119.934 115.700 0.145 0.000 2.512 715 S HA 0.543 5.020 4.470 0.011 0.000 0.216 715 S C 0.405 175.295 174.600 0.484 0.000 1.006 715 S CA -0.051 58.394 58.200 0.409 0.000 0.915 715 S CB 0.667 64.252 63.200 0.641 0.000 0.824 715 S HN 0.772 nan 8.310 nan 0.000 0.497 716 A N 0.421 123.547 122.820 0.510 0.000 2.597 716 A HA 0.650 4.976 4.320 0.011 0.000 0.292 716 A C -1.755 176.177 177.584 0.579 0.000 1.057 716 A CA -0.767 51.566 52.037 0.493 0.000 0.674 716 A CB 0.201 19.549 19.000 0.579 0.000 1.278 716 A HN 1.032 nan 8.150 nan 0.000 0.416 717 W N -0.194 121.235 121.300 0.214 0.000 2.937 717 W HA 0.795 5.462 4.660 0.012 0.000 0.360 717 W C -1.241 175.250 176.519 -0.048 0.000 1.215 717 W CA -0.523 56.817 57.345 -0.009 0.000 1.183 717 W CB 1.009 30.446 29.460 -0.038 0.000 1.458 717 W HN 1.207 nan 8.180 nan 0.000 0.574 718 Q N 1.047 120.824 119.800 -0.039 0.000 2.666 718 Q HA 0.394 4.740 4.340 0.011 0.000 0.276 718 Q C -1.846 173.947 176.000 -0.345 0.000 0.952 718 Q CA -0.428 55.195 55.803 -0.299 0.000 0.850 718 Q CB 2.236 30.654 28.738 -0.534 0.000 1.512 718 Q HN 0.618 nan 8.270 nan 0.000 0.395 719 Q N 1.606 121.164 119.800 -0.404 0.000 2.423 719 Q HA 0.652 4.998 4.340 0.011 0.000 0.278 719 Q C -1.364 174.509 176.000 -0.212 0.000 1.097 719 Q CA -0.686 55.067 55.803 -0.084 0.000 0.809 719 Q CB 2.049 30.908 28.738 0.202 0.000 1.391 719 Q HN 0.642 nan 8.270 nan 0.000 0.428 720 W N 1.152 122.619 121.300 0.280 0.000 3.107 720 W HA 0.459 5.125 4.660 0.010 0.000 0.331 720 W C -0.462 176.074 176.519 0.029 0.000 1.204 720 W CA -0.699 56.739 57.345 0.154 0.000 1.184 720 W CB 1.638 31.140 29.460 0.070 0.000 1.421 720 W HN 0.431 nan 8.180 nan 0.000 0.544 721 R N 1.628 122.107 120.500 -0.035 0.000 2.308 721 R HA 0.473 4.820 4.340 0.011 0.000 0.305 721 R C 0.561 176.730 176.300 -0.219 0.000 1.053 721 R CA -0.205 55.578 56.100 -0.527 0.000 0.957 721 R CB 1.230 31.109 30.300 -0.702 0.000 1.022 721 R HN 0.289 nan 8.270 nan 0.000 0.461 722 L N 1.273 122.370 121.223 -0.210 0.000 2.719 722 L HA 0.530 4.876 4.340 0.011 0.000 0.182 722 L C 0.743 177.531 176.870 -0.136 0.000 1.940 722 L CA -0.912 53.858 54.840 -0.116 0.000 2.839 722 L CB -0.167 41.857 42.059 -0.057 0.000 2.949 722 L HN 0.597 nan 8.230 nan 0.000 0.669 723 A N 0.138 122.902 122.820 -0.094 0.000 2.346 723 A HA 0.281 4.608 4.320 0.011 0.000 0.252 723 A C -0.365 177.160 177.584 -0.098 0.000 1.089 723 A CA 0.109 52.095 52.037 -0.085 0.000 0.797 723 A CB 0.365 19.333 19.000 -0.053 0.000 1.047 723 A HN 0.616 nan 8.150 nan 0.000 0.494 724 E N 0.567 120.717 120.200 -0.082 0.000 2.256 724 E HA 0.325 4.682 4.350 0.011 0.000 0.268 724 E C -1.559 175.021 176.600 -0.033 0.000 0.877 724 E CA -0.691 55.666 56.400 -0.070 0.000 0.757 724 E CB 0.978 30.623 29.700 -0.092 0.000 1.183 724 E HN 0.641 nan 8.360 nan 0.000 0.418 725 N N 5.174 123.867 118.700 -0.013 0.000 2.564 725 N HA 0.261 5.008 4.740 0.011 0.000 0.248 725 N C -0.508 175.009 175.510 0.011 0.000 0.986 725 N CA -0.357 52.693 53.050 0.000 0.000 0.921 725 N CB 1.145 39.636 38.487 0.007 0.000 1.136 725 N HN 0.521 nan 8.380 nan 0.000 0.509 726 L N 0.879 122.107 121.223 0.009 0.000 2.514 726 L HA -0.010 4.336 4.340 0.011 0.000 0.280 726 L C 1.311 178.196 176.870 0.025 0.000 1.223 726 L CA 0.387 55.238 54.840 0.019 0.000 0.864 726 L CB 0.264 42.333 42.059 0.017 0.000 1.118 726 L HN 0.373 nan 8.230 nan 0.000 0.494 727 S N 2.178 117.898 115.700 0.035 0.000 2.448 727 S HA 0.245 4.722 4.470 0.011 0.000 0.279 727 S C 0.612 175.232 174.600 0.033 0.000 1.195 727 S CA -0.917 57.305 58.200 0.037 0.000 1.051 727 S CB 0.846 64.074 63.200 0.046 0.000 0.948 727 S HN 0.457 nan 8.310 nan 0.000 0.493 728 V N 2.644 122.575 119.914 0.028 0.000 3.542 728 V HA 0.330 4.456 4.120 0.011 0.000 0.296 728 V C 0.423 176.533 176.094 0.026 0.000 1.364 728 V CA -0.207 62.109 62.300 0.026 0.000 1.118 728 V CB -0.864 30.971 31.823 0.021 0.000 0.972 728 V HN 0.787 nan 8.190 nan 0.000 0.430 729 T N 1.852 116.424 114.554 0.029 0.000 2.771 729 T HA 0.683 5.039 4.350 0.011 0.000 0.291 729 T C -0.267 174.451 174.700 0.031 0.000 0.954 729 T CA -0.332 61.785 62.100 0.029 0.000 1.045 729 T CB 1.655 70.540 68.868 0.028 0.000 0.917 729 T HN 0.242 nan 8.240 nan 0.000 0.484 730 L N 4.962 126.201 121.223 0.028 0.000 2.369 730 L HA 0.300 4.647 4.340 0.011 0.000 0.279 730 L C -1.575 175.312 176.870 0.027 0.000 1.108 730 L CA -1.630 53.225 54.840 0.026 0.000 0.852 730 L CB -0.591 41.481 42.059 0.022 0.000 1.169 730 L HN 0.471 nan 8.230 nan 0.000 0.452 731 P HA 0.133 nan 4.420 nan 0.000 0.265 731 P C -0.418 176.893 177.300 0.019 0.000 1.193 731 P CA -0.363 62.753 63.100 0.027 0.000 0.765 731 P CB 0.676 32.391 31.700 0.026 0.000 0.823 732 A N 3.158 125.995 122.820 0.029 0.000 2.524 732 A HA 0.437 4.763 4.320 0.011 0.000 0.250 732 A C 0.827 178.396 177.584 -0.024 0.000 1.078 732 A CA -0.049 52.008 52.037 0.034 0.000 0.761 732 A CB -0.513 18.539 19.000 0.087 0.000 1.012 732 A HN 0.734 nan 8.150 nan 0.000 0.500 733 A N 3.637 126.436 122.820 -0.034 0.000 2.587 733 A HA 0.404 4.731 4.320 0.011 0.000 0.233 733 A C 0.984 178.357 177.584 -0.352 0.000 1.049 733 A CA 0.593 52.564 52.037 -0.109 0.000 0.754 733 A CB -0.381 18.590 19.000 -0.049 0.000 0.977 733 A HN 1.502 nan 8.150 nan 0.000 0.509 734 S N 1.126 116.598 115.700 -0.381 0.000 2.584 734 S HA 0.376 4.853 4.470 0.011 0.000 0.273 734 S C -0.018 174.231 174.600 -0.585 0.000 1.311 734 S CA -0.286 57.556 58.200 -0.596 0.000 1.034 734 S CB 0.427 63.480 63.200 -0.244 0.000 0.939 734 S HN 0.736 nan 8.310 nan 0.000 0.513 735 H N -0.199 118.880 119.070 0.014 0.000 2.507 735 H HA 0.680 5.242 4.556 0.011 0.000 0.294 735 H C 0.313 175.646 175.328 0.008 0.000 1.064 735 H CA 0.157 56.212 56.048 0.011 0.000 1.138 735 H CB -0.065 29.703 29.762 0.009 0.000 1.515 735 H HN 0.756 nan 8.280 nan 0.000 0.547 736 A N 0.920 123.752 122.820 0.019 0.000 2.588 736 A HA 0.704 5.031 4.320 0.011 0.000 0.290 736 A C -1.592 175.989 177.584 -0.004 0.000 1.136 736 A CA -0.840 51.207 52.037 0.017 0.000 0.681 736 A CB 1.510 20.526 19.000 0.027 0.000 1.282 736 A HN 0.271 nan 8.150 nan 0.000 0.421 737 I N -0.215 120.357 120.570 0.004 0.000 2.722 737 I HA 0.675 4.851 4.170 0.011 0.000 0.292 737 I C -2.980 173.153 176.117 0.027 0.000 1.267 737 I CA -1.854 59.454 61.300 0.014 0.000 1.036 737 I CB 2.555 40.569 38.000 0.025 0.000 1.281 737 I HN 0.401 nan 8.210 nan 0.000 0.423 738 P HA 0.255 nan 4.420 nan 0.000 0.274 738 P C -1.406 175.996 177.300 0.171 0.000 1.231 738 P CA 0.169 63.311 63.100 0.069 0.000 0.790 738 P CB 0.281 32.007 31.700 0.044 0.000 0.951 739 H N 0.806 119.911 119.070 0.058 0.000 2.519 739 H HA 0.305 4.868 4.556 0.011 0.000 0.316 739 H C -0.228 175.128 175.328 0.048 0.000 1.065 739 H CA -1.054 55.017 56.048 0.039 0.000 1.264 739 H CB 1.121 30.908 29.762 0.042 0.000 1.413 739 H HN 0.259 nan 8.280 nan 0.000 0.465 740 L N 3.519 124.809 121.223 0.111 0.000 2.326 740 L HA 0.299 4.646 4.340 0.011 0.000 0.278 740 L C -0.360 176.545 176.870 0.058 0.000 1.092 740 L CA 0.156 55.029 54.840 0.055 0.000 0.810 740 L CB 1.337 43.367 42.059 -0.049 0.000 1.153 740 L HN 0.532 nan 8.230 nan 0.000 0.439 741 T N 3.626 118.246 114.554 0.110 0.000 2.937 741 T HA 0.520 4.876 4.350 0.011 0.000 0.297 741 T C -0.484 174.317 174.700 0.169 0.000 0.991 741 T CA -0.413 61.749 62.100 0.104 0.000 0.990 741 T CB 1.289 70.210 68.868 0.089 0.000 0.991 741 T HN 0.720 nan 8.240 nan 0.000 0.440 742 T N 2.564 117.211 114.554 0.155 0.000 2.918 742 T HA 0.841 5.197 4.350 0.011 0.000 0.286 742 T C -0.246 174.520 174.700 0.109 0.000 1.026 742 T CA -0.755 61.477 62.100 0.220 0.000 1.031 742 T CB 1.511 70.545 68.868 0.277 0.000 1.046 742 T HN 0.743 nan 8.240 nan 0.000 0.479 743 S N 0.073 115.811 115.700 0.063 0.000 2.596 743 S HA 0.403 4.880 4.470 0.011 0.000 0.270 743 S C 0.644 175.211 174.600 -0.056 0.000 1.155 743 S CA -0.839 57.365 58.200 0.007 0.000 0.827 743 S CB 1.707 64.911 63.200 0.006 0.000 1.130 743 S HN 0.731 nan 8.310 nan 0.000 0.467 744 E N -0.210 119.962 120.200 -0.047 0.000 2.153 744 E HA -0.153 4.204 4.350 0.011 0.000 0.194 744 E C 1.467 177.993 176.600 -0.124 0.000 0.988 744 E CA 1.321 57.676 56.400 -0.075 0.000 0.811 744 E CB -0.117 29.556 29.700 -0.044 0.000 0.746 744 E HN 0.656 nan 8.360 nan 0.000 0.466 745 M N 0.263 119.807 119.600 -0.093 0.000 2.476 745 M HA 0.051 4.538 4.480 0.011 0.000 0.262 745 M C -0.573 175.652 176.300 -0.125 0.000 1.111 745 M CA 0.642 55.887 55.300 -0.093 0.000 1.127 745 M CB 0.772 33.350 32.600 -0.036 0.000 1.376 745 M HN -0.134 nan 8.290 nan 0.000 0.465 746 D N -1.968 118.348 120.400 -0.139 0.000 2.596 746 D HA 0.300 4.947 4.640 0.011 0.000 0.262 746 D C -1.433 174.815 176.300 -0.087 0.000 1.210 746 D CA -0.329 53.611 54.000 -0.100 0.000 0.873 746 D CB 1.252 42.085 40.800 0.055 0.000 1.408 746 D HN -0.050 nan 8.370 nan 0.000 0.441 747 F N 0.782 120.816 119.950 0.141 0.000 2.460 747 F HA 0.370 4.904 4.527 0.011 0.000 0.341 747 F C -0.147 175.787 175.800 0.225 0.000 1.130 747 F CA -0.790 57.283 58.000 0.122 0.000 0.962 747 F CB 1.413 40.433 39.000 0.034 0.000 1.171 747 F HN 0.057 nan 8.300 nan 0.000 0.436 748 C N 4.867 124.385 119.300 0.363 0.000 2.379 748 C HA 0.679 5.145 4.460 0.011 0.000 0.323 748 C C -0.206 174.963 174.990 0.299 0.000 1.262 748 C CA -0.860 58.354 59.018 0.326 0.000 1.581 748 C CB 0.488 28.355 27.740 0.211 0.000 2.221 748 C HN 0.502 nan 8.230 nan 0.000 0.497 749 I N 2.654 123.462 120.570 0.397 0.000 2.404 749 I HA 0.505 4.681 4.170 0.011 0.000 0.293 749 I C 0.034 176.446 176.117 0.492 0.000 0.992 749 I CA -0.040 61.487 61.300 0.377 0.000 1.149 749 I CB 1.158 39.325 38.000 0.277 0.000 1.315 749 I HN 0.683 nan 8.210 nan 0.000 0.446 750 E N 5.741 126.148 120.200 0.345 0.000 2.266 750 E HA 0.784 5.141 4.350 0.011 0.000 0.268 750 E C -1.841 174.896 176.600 0.227 0.000 0.879 750 E CA -0.822 55.735 56.400 0.261 0.000 0.762 750 E CB 2.057 31.828 29.700 0.118 0.000 1.199 750 E HN 0.517 nan 8.360 nan 0.000 0.422 751 L N 4.774 126.126 121.223 0.215 0.000 2.661 751 L HA 0.543 4.890 4.340 0.011 0.000 0.263 751 L C 0.079 176.988 176.870 0.065 0.000 0.956 751 L CA 0.743 55.676 54.840 0.154 0.000 0.918 751 L CB 1.298 43.529 42.059 0.286 0.000 1.280 751 L HN 0.794 nan 8.230 nan 0.000 0.416 752 G N 4.396 113.196 108.800 -0.000 0.000 2.583 752 G HA2 -0.421 3.545 3.960 0.011 0.000 0.292 752 G HA3 -0.421 3.545 3.960 0.011 0.000 0.292 752 G C 0.524 175.399 174.900 -0.042 0.000 1.203 752 G CA 0.636 45.726 45.100 -0.016 0.000 0.987 752 G HN 1.258 nan 8.290 nan 0.000 0.554 753 N N 1.183 119.853 118.700 -0.050 0.000 2.398 753 N HA 0.088 4.835 4.740 0.011 0.000 0.188 753 N C 0.576 176.018 175.510 -0.113 0.000 1.122 753 N CA 0.980 53.986 53.050 -0.073 0.000 0.866 753 N CB 0.118 38.569 38.487 -0.060 0.000 0.970 753 N HN 0.766 nan 8.380 nan 0.000 0.462 754 K N 0.909 121.224 120.400 -0.142 0.000 2.118 754 K HA 0.417 4.744 4.320 0.011 0.000 0.267 754 K C 0.115 176.465 176.600 -0.418 0.000 0.991 754 K CA -0.575 55.510 56.287 -0.337 0.000 0.916 754 K CB 1.184 33.438 32.500 -0.409 0.000 1.041 754 K HN 0.218 nan 8.250 nan 0.000 0.455 755 R N 1.503 121.609 120.500 -0.656 0.000 2.629 755 R HA 0.392 4.738 4.340 0.011 0.000 0.266 755 R C -1.567 174.539 176.300 -0.323 0.000 1.051 755 R CA -0.967 54.956 56.100 -0.295 0.000 0.895 755 R CB 1.091 31.352 30.300 -0.066 0.000 1.246 755 R HN 0.556 nan 8.270 nan 0.000 0.459 756 W N 1.627 123.048 121.300 0.201 0.000 2.883 756 W HA 0.379 5.046 4.660 0.011 0.000 0.335 756 W C -0.643 175.979 176.519 0.172 0.000 1.083 756 W CA -0.649 56.765 57.345 0.116 0.000 1.233 756 W CB 2.659 32.185 29.460 0.109 0.000 1.412 756 W HN 0.644 nan 8.180 nan 0.000 0.490 757 Q N 2.099 122.040 119.800 0.235 0.000 2.323 757 Q HA 0.557 4.903 4.340 0.011 0.000 0.271 757 Q C -2.072 173.875 176.000 -0.089 0.000 1.048 757 Q CA -0.436 55.505 55.803 0.230 0.000 0.792 757 Q CB 1.851 30.768 28.738 0.298 0.000 1.280 757 Q HN 0.301 nan 8.270 nan 0.000 0.441 758 F N 2.419 122.457 119.950 0.146 0.000 2.467 758 F HA 0.367 4.901 4.527 0.011 0.000 0.336 758 F C 0.264 176.087 175.800 0.037 0.000 1.123 758 F CA -1.018 57.027 58.000 0.076 0.000 0.964 758 F CB 1.517 40.549 39.000 0.054 0.000 1.136 758 F HN 0.539 nan 8.300 nan 0.000 0.447 759 N N 3.225 122.032 118.700 0.178 0.000 2.401 759 N HA 0.115 4.862 4.740 0.011 0.000 0.255 759 N C 0.840 176.362 175.510 0.019 0.000 1.110 759 N CA -0.020 53.081 53.050 0.085 0.000 0.949 759 N CB 0.650 39.198 38.487 0.100 0.000 1.110 759 N HN 0.633 nan 8.380 nan 0.000 0.490 760 R N 2.399 122.840 120.500 -0.098 0.000 2.235 760 R HA -0.092 4.255 4.340 0.011 0.000 0.213 760 R C 1.438 177.667 176.300 -0.120 0.000 1.059 760 R CA 0.757 56.742 56.100 -0.192 0.000 0.997 760 R CB 0.180 30.240 30.300 -0.400 0.000 0.884 760 R HN 0.633 nan 8.270 nan 0.000 0.462 761 Q N 0.725 120.486 119.800 -0.065 0.000 2.165 761 Q HA -0.060 4.286 4.340 0.011 0.000 0.197 761 Q C 1.987 177.974 176.000 -0.021 0.000 0.952 761 Q CA 1.544 57.322 55.803 -0.043 0.000 0.848 761 Q CB 0.276 29.006 28.738 -0.013 0.000 0.931 761 Q HN 0.283 nan 8.270 nan 0.000 0.470 762 S N -1.366 114.351 115.700 0.029 0.000 2.425 762 S HA 0.155 4.632 4.470 0.011 0.000 0.225 762 S C 1.495 176.044 174.600 -0.085 0.000 1.024 762 S CA 0.589 58.843 58.200 0.090 0.000 0.951 762 S CB -0.036 63.336 63.200 0.285 0.000 0.796 762 S HN 0.722 nan 8.310 nan 0.000 0.498 763 G N 0.517 109.256 108.800 -0.100 0.000 2.147 763 G HA2 -0.209 3.757 3.960 0.011 0.000 0.244 763 G HA3 -0.209 3.757 3.960 0.011 0.000 0.244 763 G C -0.161 174.609 174.900 -0.216 0.000 1.005 763 G CA 0.253 45.259 45.100 -0.158 0.000 0.713 763 G HN 0.524 nan 8.290 nan 0.000 0.515 764 F N -1.497 118.608 119.950 0.258 0.000 2.579 764 F HA 0.653 5.186 4.527 0.011 0.000 0.324 764 F C 0.453 176.271 175.800 0.029 0.000 1.058 764 F CA -1.438 56.680 58.000 0.198 0.000 0.944 764 F CB 1.497 40.576 39.000 0.131 0.000 1.245 764 F HN 0.030 nan 8.300 nan 0.000 0.477 765 L N 2.066 123.333 121.223 0.074 0.000 2.565 765 L HA 0.156 4.503 4.340 0.011 0.000 0.275 765 L C 0.965 177.728 176.870 -0.179 0.000 1.137 765 L CA 0.526 55.063 54.840 -0.505 0.000 0.915 765 L CB 0.191 41.913 42.059 -0.562 0.000 1.232 765 L HN 0.720 nan 8.230 nan 0.000 0.473 766 S N 2.444 118.041 115.700 -0.172 0.000 2.470 766 S HA 0.209 4.685 4.470 0.011 0.000 0.222 766 S C 0.602 175.093 174.600 -0.182 0.000 1.024 766 S CA 0.053 58.202 58.200 -0.086 0.000 0.931 766 S CB 0.047 63.244 63.200 -0.005 0.000 0.791 766 S HN 0.693 nan 8.310 nan 0.000 0.513 767 Q N -0.224 119.423 119.800 -0.256 0.000 2.482 767 Q HA 0.738 5.085 4.340 0.011 0.000 0.286 767 Q C -1.789 173.908 176.000 -0.506 0.000 1.007 767 Q CA -0.444 55.085 55.803 -0.457 0.000 0.801 767 Q CB 1.866 30.213 28.738 -0.651 0.000 1.455 767 Q HN 0.394 nan 8.270 nan 0.000 0.398 768 M N 1.489 120.627 119.600 -0.770 0.000 2.413 768 M HA 0.628 5.115 4.480 0.011 0.000 0.287 768 M C -1.988 173.899 176.300 -0.690 0.000 1.186 768 M CA -0.261 54.688 55.300 -0.585 0.000 0.927 768 M CB 1.736 34.018 32.600 -0.531 0.000 1.715 768 M HN 0.653 nan 8.290 nan 0.000 0.478 769 W N 4.299 125.381 121.300 -0.362 0.000 2.936 769 W HA 0.592 5.258 4.660 0.011 0.000 0.338 769 W C -1.521 174.816 176.519 -0.303 0.000 1.121 769 W CA -0.709 56.477 57.345 -0.265 0.000 1.209 769 W CB 1.725 31.056 29.460 -0.214 0.000 1.420 769 W HN 0.444 nan 8.180 nan 0.000 0.516 770 I N 2.458 123.046 120.570 0.031 0.000 2.355 770 I HA 0.489 4.666 4.170 0.011 0.000 0.288 770 I C 0.873 176.993 176.117 0.006 0.000 0.999 770 I CA 0.181 61.451 61.300 -0.050 0.000 1.163 770 I CB 0.952 38.894 38.000 -0.097 0.000 1.316 770 I HN 0.706 nan 8.210 nan 0.000 0.454 771 G N 5.580 114.366 108.800 -0.023 0.000 2.591 771 G HA2 -0.367 3.599 3.960 0.011 0.000 0.298 771 G HA3 -0.367 3.599 3.960 0.011 0.000 0.298 771 G C 0.251 175.162 174.900 0.018 0.000 1.195 771 G CA 0.854 45.940 45.100 -0.024 0.000 0.989 771 G HN 0.789 nan 8.290 nan 0.000 0.551 772 D N 0.599 121.026 120.400 0.044 0.000 2.369 772 D HA 0.351 4.998 4.640 0.011 0.000 0.211 772 D C 0.816 177.274 176.300 0.263 0.000 1.077 772 D CA 0.617 54.677 54.000 0.099 0.000 0.842 772 D CB 0.419 41.234 40.800 0.026 0.000 0.947 772 D HN 0.626 nan 8.370 nan 0.000 0.509 773 K N 1.599 122.113 120.400 0.190 0.000 2.276 773 K HA 0.183 4.509 4.320 0.011 0.000 0.285 773 K C -0.361 176.244 176.600 0.009 0.000 1.062 773 K CA -0.607 55.737 56.287 0.096 0.000 0.918 773 K CB 0.770 33.273 32.500 0.005 0.000 1.055 773 K HN -0.232 nan 8.250 nan 0.000 0.477 774 K N 3.062 123.362 120.400 -0.167 0.000 2.350 774 K HA 0.017 4.344 4.320 0.011 0.000 0.279 774 K C 0.574 176.949 176.600 -0.374 0.000 1.027 774 K CA -0.226 55.689 56.287 -0.620 0.000 0.969 774 K CB 0.896 33.103 32.500 -0.488 0.000 0.954 774 K HN 0.613 nan 8.250 nan 0.000 0.474 775 Q N 1.614 121.161 119.800 -0.421 0.000 2.391 775 Q HA 0.159 4.505 4.340 0.011 0.000 0.211 775 Q C 0.061 175.975 176.000 -0.143 0.000 0.908 775 Q CA 0.599 56.296 55.803 -0.175 0.000 0.920 775 Q CB 0.430 29.106 28.738 -0.104 0.000 1.056 775 Q HN 0.494 nan 8.270 nan 0.000 0.523 776 L N 0.721 121.789 121.223 -0.259 0.000 2.329 776 L HA 0.378 4.724 4.340 0.011 0.000 0.279 776 L C 0.990 177.728 176.870 -0.221 0.000 1.014 776 L CA -0.373 54.339 54.840 -0.214 0.000 0.814 776 L CB 1.587 43.514 42.059 -0.220 0.000 1.257 776 L HN -0.070 nan 8.230 nan 0.000 0.424 777 L N 0.696 121.788 121.223 -0.219 0.000 2.357 777 L HA 0.202 4.548 4.340 0.011 0.000 0.211 777 L C 0.231 176.986 176.870 -0.191 0.000 1.075 777 L CA 0.826 55.539 54.840 -0.212 0.000 0.830 777 L CB 0.461 42.371 42.059 -0.247 0.000 0.996 777 L HN 0.627 nan 8.230 nan 0.000 0.467 778 T N 0.207 114.629 114.554 -0.220 0.000 2.921 778 T HA 0.379 4.736 4.350 0.011 0.000 0.297 778 T C -2.558 172.082 174.700 -0.100 0.000 1.013 778 T CA -1.114 60.908 62.100 -0.130 0.000 0.990 778 T CB 2.418 71.201 68.868 -0.142 0.000 1.023 778 T HN -0.263 nan 8.240 nan 0.000 0.447 779 P HA 0.126 nan 4.420 nan 0.000 0.269 779 P C -0.396 176.872 177.300 -0.052 0.000 1.217 779 P CA -0.732 62.338 63.100 -0.050 0.000 0.783 779 P CB 0.421 32.119 31.700 -0.003 0.000 0.898 780 L N 3.699 124.926 121.223 0.008 0.000 2.530 780 L HA 0.122 4.469 4.340 0.011 0.000 0.273 780 L C 0.185 177.016 176.870 -0.065 0.000 1.141 780 L CA 0.887 55.768 54.840 0.068 0.000 0.905 780 L CB -0.721 41.482 42.059 0.241 0.000 1.202 780 L HN 0.287 nan 8.230 nan 0.000 0.473 781 R N 3.094 123.475 120.500 -0.198 0.000 2.744 781 R HA 0.436 4.783 4.340 0.011 0.000 0.279 781 R C -0.853 175.311 176.300 -0.227 0.000 0.977 781 R CA -1.040 54.789 56.100 -0.452 0.000 0.906 781 R CB 1.206 31.074 30.300 -0.720 0.000 1.197 781 R HN 0.557 nan 8.270 nan 0.000 0.463 782 D N 1.406 121.724 120.400 -0.137 0.000 2.419 782 D HA -0.020 4.627 4.640 0.011 0.000 0.236 782 D C -0.345 175.542 176.300 -0.688 0.000 1.165 782 D CA 0.711 54.474 54.000 -0.395 0.000 0.882 782 D CB 0.660 41.134 40.800 -0.543 0.000 1.201 782 D HN 0.226 nan 8.370 nan 0.000 0.443 783 Q N 1.453 120.661 119.800 -0.986 0.000 2.285 783 Q HA 0.318 4.664 4.340 0.011 0.000 0.269 783 Q C -1.326 173.983 176.000 -1.150 0.000 1.030 783 Q CA -0.612 54.674 55.803 -0.862 0.000 0.788 783 Q CB 0.825 29.284 28.738 -0.464 0.000 1.266 783 Q HN 0.584 nan 8.270 nan 0.000 0.438 784 F N 1.046 120.598 119.950 -0.663 0.000 2.724 784 F HA 0.209 4.743 4.527 0.011 0.000 0.310 784 F C 0.469 175.820 175.800 -0.749 0.000 1.107 784 F CA -0.222 57.280 58.000 -0.831 0.000 1.218 784 F CB 1.586 39.775 39.000 -1.351 0.000 1.042 784 F HN 0.443 nan 8.300 nan 0.000 0.540 785 T N -0.952 113.293 114.554 -0.514 0.000 2.887 785 T HA 0.798 5.155 4.350 0.011 0.000 0.292 785 T C -0.663 173.759 174.700 -0.463 0.000 1.087 785 T CA -0.999 60.712 62.100 -0.648 0.000 1.009 785 T CB 2.845 71.238 68.868 -0.792 0.000 1.203 785 T HN 0.260 nan 8.240 nan 0.000 0.518 786 R N -0.268 119.994 120.500 -0.396 0.000 2.740 786 R HA 0.768 5.114 4.340 0.011 0.000 0.273 786 R C -0.939 175.396 176.300 0.058 0.000 0.998 786 R CA -1.236 54.770 56.100 -0.157 0.000 0.900 786 R CB 1.496 31.706 30.300 -0.150 0.000 1.223 786 R HN 0.841 nan 8.270 nan 0.000 0.466 787 A N 3.501 126.348 122.820 0.046 0.000 2.473 787 A HA 0.284 4.611 4.320 0.011 0.000 0.282 787 A C -1.986 175.653 177.584 0.092 0.000 1.163 787 A CA -1.319 50.748 52.037 0.050 0.000 0.827 787 A CB -0.567 18.410 19.000 -0.038 0.000 1.098 787 A HN 0.543 nan 8.150 nan 0.000 0.515 788 P HA 0.029 nan 4.420 nan 0.000 0.261 788 P C -0.134 177.286 177.300 0.199 0.000 1.173 788 P CA 0.531 63.796 63.100 0.275 0.000 0.760 788 P CB 0.318 32.217 31.700 0.331 0.000 0.783 789 L N 2.577 123.894 121.223 0.157 0.000 2.475 789 L HA 0.152 4.499 4.340 0.011 0.000 0.253 789 L C 1.828 178.767 176.870 0.115 0.000 1.198 789 L CA -0.432 54.446 54.840 0.062 0.000 0.814 789 L CB -0.004 42.025 42.059 -0.050 0.000 1.134 789 L HN 0.301 nan 8.230 nan 0.000 0.478 790 D N 0.313 120.751 120.400 0.065 0.000 2.123 790 D HA -0.153 4.493 4.640 0.011 0.000 0.196 790 D C 1.609 177.930 176.300 0.034 0.000 0.992 790 D CA 1.391 55.409 54.000 0.030 0.000 0.833 790 D CB 0.002 40.794 40.800 -0.014 0.000 0.954 790 D HN 0.467 nan 8.370 nan 0.000 0.455 791 N N 1.091 119.799 118.700 0.013 0.000 2.364 791 N HA -0.110 4.637 4.740 0.011 0.000 0.183 791 N C 1.129 176.677 175.510 0.063 0.000 1.022 791 N CA 0.660 53.721 53.050 0.018 0.000 0.883 791 N CB -0.144 38.335 38.487 -0.012 0.000 0.965 791 N HN 0.240 nan 8.380 nan 0.000 0.438 792 D N 0.273 120.734 120.400 0.101 0.000 2.183 792 D HA 0.046 4.692 4.640 0.011 0.000 0.203 792 D C 1.980 178.348 176.300 0.115 0.000 0.969 792 D CA 0.377 54.474 54.000 0.162 0.000 0.842 792 D CB 0.117 41.114 40.800 0.328 0.000 0.957 792 D HN 0.313 nan 8.370 nan 0.000 0.484 793 I N 0.284 120.909 120.570 0.092 0.000 2.333 793 I HA 0.029 4.206 4.170 0.011 0.000 0.246 793 I C 1.788 177.907 176.117 0.003 0.000 1.106 793 I CA 0.689 62.016 61.300 0.046 0.000 1.411 793 I CB -0.396 37.618 38.000 0.023 0.000 1.082 793 I HN 0.062 nan 8.210 nan 0.000 0.420 794 G N 1.146 109.952 108.800 0.011 0.000 2.547 794 G HA2 -0.318 3.649 3.960 0.011 0.000 0.271 794 G HA3 -0.318 3.649 3.960 0.011 0.000 0.271 794 G C 0.500 175.394 174.900 -0.010 0.000 1.209 794 G CA 0.431 45.540 45.100 0.016 0.000 0.959 794 G HN 0.544 nan 8.290 nan 0.000 0.563 795 V N -2.194 117.699 119.914 -0.035 0.000 3.337 795 V HA 0.642 4.769 4.120 0.011 0.000 0.343 795 V C 1.005 177.041 176.094 -0.097 0.000 1.302 795 V CA 1.012 63.245 62.300 -0.111 0.000 1.268 795 V CB 0.234 31.958 31.823 -0.166 0.000 1.185 795 V HN 1.126 nan 8.190 nan 0.000 0.447 796 S N 1.709 117.367 115.700 -0.069 0.000 2.405 796 S HA 0.316 4.792 4.470 0.011 0.000 0.291 796 S C 0.045 174.614 174.600 -0.051 0.000 1.137 796 S CA -0.198 57.967 58.200 -0.058 0.000 1.061 796 S CB 0.150 63.321 63.200 -0.048 0.000 1.001 796 S HN 0.749 nan 8.310 nan 0.000 0.507 797 E N 2.271 122.440 120.200 -0.051 0.000 2.281 797 E HA 0.583 4.939 4.350 0.011 0.000 0.257 797 E C 0.747 177.333 176.600 -0.022 0.000 0.971 797 E CA -0.479 55.900 56.400 -0.036 0.000 0.839 797 E CB 1.651 31.325 29.700 -0.043 0.000 1.238 797 E HN 0.600 nan 8.360 nan 0.000 0.412 798 A N 0.443 123.259 122.820 -0.007 0.000 1.930 798 A HA -0.109 4.217 4.320 0.011 0.000 0.215 798 A C 1.935 179.514 177.584 -0.008 0.000 1.176 798 A CA 2.033 54.068 52.037 -0.002 0.000 0.632 798 A CB -0.446 18.560 19.000 0.011 0.000 0.819 798 A HN 0.588 nan 8.150 nan 0.000 0.445 799 T N -2.252 112.295 114.554 -0.012 0.000 3.043 799 T HA 0.090 4.447 4.350 0.011 0.000 0.263 799 T C 0.875 175.559 174.700 -0.027 0.000 1.094 799 T CA 0.503 62.594 62.100 -0.015 0.000 1.127 799 T CB -0.140 68.720 68.868 -0.014 0.000 0.905 799 T HN 0.313 nan 8.240 nan 0.000 0.490 800 R N 1.535 122.013 120.500 -0.036 0.000 2.494 800 R HA 0.413 4.760 4.340 0.011 0.000 0.284 800 R C -0.333 175.936 176.300 -0.051 0.000 1.525 800 R CA -0.551 55.519 56.100 -0.050 0.000 1.460 800 R CB 0.178 30.438 30.300 -0.067 0.000 1.134 800 R HN 0.286 nan 8.270 nan 0.000 0.592 801 I N 0.657 121.201 120.570 -0.044 0.000 3.327 801 I HA 0.042 4.218 4.170 0.011 0.000 0.280 801 I C 0.319 176.401 176.117 -0.058 0.000 1.207 801 I CA 0.458 61.731 61.300 -0.045 0.000 1.280 801 I CB 0.690 38.668 38.000 -0.037 0.000 1.417 801 I HN 0.528 nan 8.210 nan 0.000 0.639 802 D N 2.729 123.092 120.400 -0.063 0.000 2.823 802 D HA 0.211 4.858 4.640 0.011 0.000 0.255 802 D C -1.637 174.601 176.300 -0.103 0.000 1.257 802 D CA -1.351 52.602 54.000 -0.079 0.000 0.803 802 D CB 0.824 41.578 40.800 -0.077 0.000 1.384 802 D HN 0.074 nan 8.370 nan 0.000 0.541 803 P HA -0.238 nan 4.420 nan 0.000 0.220 803 P C 1.101 178.292 177.300 -0.182 0.000 1.155 803 P CA 1.159 64.187 63.100 -0.120 0.000 0.880 803 P CB 0.373 32.011 31.700 -0.103 0.000 0.790 804 N N -0.365 118.222 118.700 -0.188 0.000 2.457 804 N HA 0.027 4.773 4.740 0.011 0.000 0.180 804 N C 0.683 175.971 175.510 -0.371 0.000 1.050 804 N CA 0.164 53.049 53.050 -0.274 0.000 0.906 804 N CB -0.118 38.227 38.487 -0.236 0.000 0.968 804 N HN 0.112 nan 8.380 nan 0.000 0.445 805 A N 0.175 122.833 122.820 -0.271 0.000 2.498 805 A HA -0.025 4.301 4.320 0.011 0.000 0.239 805 A C 0.731 178.066 177.584 -0.416 0.000 1.068 805 A CA -0.284 51.590 52.037 -0.273 0.000 0.766 805 A CB -0.098 18.821 19.000 -0.135 0.000 1.003 805 A HN 0.357 nan 8.150 nan 0.000 0.497 806 W N 1.782 122.818 121.300 -0.439 0.000 2.301 806 W HA -0.229 4.438 4.660 0.010 0.000 0.325 806 W C 2.277 178.249 176.519 -0.911 0.000 1.250 806 W CA 2.014 58.820 57.345 -0.898 0.000 1.261 806 W CB -0.629 28.113 29.460 -1.196 0.000 1.157 806 W HN 0.542 nan 8.180 nan 0.000 0.473 807 V N 0.775 120.574 119.914 -0.192 0.000 2.380 807 V HA -0.307 3.820 4.120 0.011 0.000 0.251 807 V C 2.269 178.433 176.094 0.116 0.000 1.063 807 V CA 2.252 64.661 62.300 0.182 0.000 1.055 807 V CB -0.447 31.513 31.823 0.228 0.000 0.657 807 V HN 0.106 nan 8.190 nan 0.000 0.455 808 E N -0.064 120.110 120.200 -0.044 0.000 2.077 808 E HA -0.188 4.169 4.350 0.011 0.000 0.193 808 E C 2.359 178.920 176.600 -0.066 0.000 0.989 808 E CA 1.327 57.699 56.400 -0.046 0.000 0.800 808 E CB -0.332 29.310 29.700 -0.096 0.000 0.746 808 E HN 0.619 nan 8.360 nan 0.000 0.452 809 R N -0.509 119.876 120.500 -0.192 0.000 2.092 809 R HA -0.092 4.255 4.340 0.011 0.000 0.231 809 R C 2.274 178.503 176.300 -0.118 0.000 1.119 809 R CA 0.997 56.968 56.100 -0.215 0.000 0.970 809 R CB -0.145 29.913 30.300 -0.403 0.000 0.864 809 R HN 0.234 nan 8.270 nan 0.000 0.440 810 W N 1.610 122.862 121.300 -0.080 0.000 2.381 810 W HA -0.043 4.623 4.660 0.011 0.000 0.301 810 W C 1.886 178.375 176.519 -0.049 0.000 1.205 810 W CA 0.645 57.849 57.345 -0.234 0.000 1.285 810 W CB -0.580 28.924 29.460 0.074 0.000 1.133 810 W HN 0.082 nan 8.180 nan 0.000 0.521 811 K N 0.145 120.762 120.400 0.362 0.000 1.973 811 K HA -0.121 4.206 4.320 0.011 0.000 0.212 811 K C 2.290 178.946 176.600 0.093 0.000 1.047 811 K CA 1.928 58.376 56.287 0.269 0.000 0.937 811 K CB -0.726 31.873 32.500 0.166 0.000 0.721 811 K HN -0.045 nan 8.250 nan 0.000 0.440 812 A N 1.269 124.115 122.820 0.043 0.000 1.948 812 A HA -0.176 4.150 4.320 0.011 0.000 0.220 812 A C 2.240 179.817 177.584 -0.012 0.000 1.177 812 A CA 2.038 54.084 52.037 0.015 0.000 0.636 812 A CB -0.732 18.265 19.000 -0.006 0.000 0.815 812 A HN 0.406 nan 8.150 nan 0.000 0.449 813 A N -1.777 121.014 122.820 -0.049 0.000 2.168 813 A HA 0.365 4.691 4.320 0.011 0.000 0.215 813 A C 1.897 179.411 177.584 -0.117 0.000 1.152 813 A CA 1.328 53.344 52.037 -0.035 0.000 0.716 813 A CB -1.052 17.891 19.000 -0.095 0.000 0.794 813 A HN 1.995 nan 8.150 nan 0.000 0.465 814 G N -1.502 107.147 108.800 -0.252 0.000 2.176 814 G HA2 -0.310 3.657 3.960 0.011 0.000 0.252 814 G HA3 -0.310 3.657 3.960 0.011 0.000 0.252 814 G C 0.507 175.366 174.900 -0.069 0.000 1.024 814 G CA 0.705 45.462 45.100 -0.573 0.000 0.755 814 G HN 0.775 nan 8.290 nan 0.000 0.507 815 H N -1.675 117.377 119.070 -0.030 0.000 2.387 815 H HA -0.097 4.465 4.556 0.011 0.000 0.299 815 H C 2.165 177.461 175.328 -0.053 0.000 1.090 815 H CA 1.597 57.639 56.048 -0.009 0.000 1.332 815 H CB 0.115 29.817 29.762 -0.098 0.000 1.386 815 H HN 0.623 nan 8.280 nan 0.000 0.516 816 Y N 0.482 120.903 120.300 0.203 0.000 2.509 816 Y HA -0.082 4.474 4.550 0.011 0.000 0.293 816 Y C 2.025 178.003 175.900 0.130 0.000 1.133 816 Y CA 0.694 58.872 58.100 0.130 0.000 1.283 816 Y CB 0.256 38.775 38.460 0.099 0.000 1.001 816 Y HN 0.225 nan 8.280 nan 0.000 0.555 817 Q N -0.497 119.457 119.800 0.257 0.000 2.247 817 Q HA 0.310 4.656 4.340 0.011 0.000 0.211 817 Q C 0.671 176.851 176.000 0.301 0.000 0.861 817 Q CA -0.150 55.804 55.803 0.252 0.000 0.949 817 Q CB 0.590 29.473 28.738 0.243 0.000 1.115 817 Q HN 0.280 nan 8.270 nan 0.000 0.507 818 A N 1.626 124.635 122.820 0.315 0.000 2.520 818 A HA 0.021 4.348 4.320 0.011 0.000 0.235 818 A C 0.010 177.890 177.584 0.493 0.000 1.065 818 A CA 0.486 52.769 52.037 0.411 0.000 0.764 818 A CB 0.322 19.576 19.000 0.423 0.000 1.002 818 A HN 0.129 nan 8.150 nan 0.000 0.502 819 E N 0.407 120.835 120.200 0.380 0.000 2.199 819 E HA 0.499 4.856 4.350 0.011 0.000 0.269 819 E C -0.150 176.435 176.600 -0.024 0.000 0.899 819 E CA -0.555 55.992 56.400 0.245 0.000 0.772 819 E CB 2.019 31.817 29.700 0.163 0.000 1.155 819 E HN 0.845 nan 8.360 nan 0.000 0.408 820 A N 1.978 124.651 122.820 -0.244 0.000 2.425 820 A HA 0.551 4.878 4.320 0.011 0.000 0.242 820 A C -0.367 177.075 177.584 -0.237 0.000 1.077 820 A CA 0.072 51.675 52.037 -0.724 0.000 0.781 820 A CB 0.495 19.171 19.000 -0.541 0.000 1.020 820 A HN 0.541 nan 8.150 nan 0.000 0.494 821 A N 1.729 124.397 122.820 -0.254 0.000 2.385 821 A HA 0.549 4.875 4.320 0.011 0.000 0.290 821 A C -0.768 176.700 177.584 -0.193 0.000 1.094 821 A CA -0.519 51.438 52.037 -0.134 0.000 0.729 821 A CB 0.632 19.580 19.000 -0.087 0.000 1.194 821 A HN 1.175 nan 8.150 nan 0.000 0.442 822 L N 3.117 124.197 121.223 -0.239 0.000 2.410 822 L HA 0.328 4.675 4.340 0.011 0.000 0.273 822 L C 0.477 177.188 176.870 -0.265 0.000 1.144 822 L CA 0.361 54.941 54.840 -0.434 0.000 0.863 822 L CB 0.226 42.064 42.059 -0.368 0.000 1.140 822 L HN 0.754 nan 8.230 nan 0.000 0.463 823 L N 3.419 124.483 121.223 -0.266 0.000 2.672 823 L HA 0.365 4.711 4.340 0.011 0.000 0.236 823 L C 0.402 177.205 176.870 -0.112 0.000 1.092 823 L CA -0.056 54.703 54.840 -0.134 0.000 0.887 823 L CB 0.075 42.089 42.059 -0.075 0.000 1.168 823 L HN 0.659 nan 8.230 nan 0.000 0.502 824 Q N -0.125 119.581 119.800 -0.157 0.000 2.503 824 Q HA 0.291 4.638 4.340 0.011 0.000 0.268 824 Q C -2.197 173.743 176.000 -0.099 0.000 0.982 824 Q CA -0.371 55.377 55.803 -0.091 0.000 0.907 824 Q CB 3.237 31.953 28.738 -0.036 0.000 1.467 824 Q HN 0.065 nan 8.270 nan 0.000 0.394 825 C N 3.075 122.356 119.300 -0.030 0.000 2.789 825 C HA 0.781 5.247 4.460 0.011 0.000 0.367 825 C C -0.822 174.273 174.990 0.175 0.000 1.062 825 C CA 0.319 59.359 59.018 0.037 0.000 1.297 825 C CB 0.451 28.178 27.740 -0.021 0.000 1.794 825 C HN 0.805 nan 8.230 nan 0.000 0.474 826 T N 2.316 116.958 114.554 0.146 0.000 2.896 826 T HA 0.898 5.255 4.350 0.011 0.000 0.297 826 T C -0.585 174.006 174.700 -0.183 0.000 1.108 826 T CA -0.389 61.774 62.100 0.105 0.000 1.004 826 T CB 1.913 70.781 68.868 0.000 0.000 1.159 826 T HN 1.560 nan 8.240 nan 0.000 0.499 827 A N 1.395 123.866 122.820 -0.582 0.000 2.356 827 A HA 0.764 5.091 4.320 0.011 0.000 0.310 827 A C -1.179 176.111 177.584 -0.490 0.000 1.075 827 A CA -0.672 50.841 52.037 -0.873 0.000 0.746 827 A CB 1.125 18.934 19.000 -1.984 0.000 1.221 827 A HN 0.863 nan 8.150 nan 0.000 0.443 828 D N 1.099 121.295 120.400 -0.340 0.000 2.857 828 D HA 0.440 5.087 4.640 0.011 0.000 0.227 828 D C -0.968 175.227 176.300 -0.174 0.000 1.192 828 D CA -0.002 53.871 54.000 -0.210 0.000 0.857 828 D CB 2.455 43.170 40.800 -0.143 0.000 1.645 828 D HN 0.445 nan 8.370 nan 0.000 0.482 829 T N 1.951 116.427 114.554 -0.129 0.000 2.799 829 T HA 0.552 4.908 4.350 0.011 0.000 0.286 829 T C 0.573 175.232 174.700 -0.068 0.000 0.973 829 T CA -0.471 61.572 62.100 -0.094 0.000 1.035 829 T CB 1.013 69.838 68.868 -0.071 0.000 0.932 829 T HN 0.138 nan 8.240 nan 0.000 0.469 830 L N 1.230 122.418 121.223 -0.058 0.000 2.267 830 L HA 0.658 5.004 4.340 0.011 0.000 0.264 830 L C 2.024 178.876 176.870 -0.031 0.000 1.021 830 L CA -1.488 53.327 54.840 -0.043 0.000 0.861 830 L CB 0.183 42.216 42.059 -0.043 0.000 1.443 830 L HN 0.689 nan 8.230 nan 0.000 0.475 831 A N 1.007 123.812 122.820 -0.025 0.000 1.873 831 A HA -0.248 4.079 4.320 0.011 0.000 0.219 831 A C 1.150 178.723 177.584 -0.017 0.000 1.269 831 A CA 2.581 54.608 52.037 -0.018 0.000 0.671 831 A CB -0.727 18.263 19.000 -0.017 0.000 0.842 831 A HN 0.955 nan 8.150 nan 0.000 0.460 832 D N -1.891 118.495 120.400 -0.023 0.000 2.788 832 D HA 0.576 5.223 4.640 0.011 0.000 0.289 832 D C -0.226 176.054 176.300 -0.033 0.000 1.340 832 D CA 0.627 54.612 54.000 -0.026 0.000 0.831 832 D CB -0.121 40.658 40.800 -0.034 0.000 1.103 832 D HN 0.718 nan 8.370 nan 0.000 0.476 833 A N -0.736 122.061 122.820 -0.038 0.000 2.540 833 A HA 0.553 4.879 4.320 0.011 0.000 0.291 833 A C -1.726 175.815 177.584 -0.072 0.000 1.083 833 A CA -0.708 51.294 52.037 -0.057 0.000 0.650 833 A CB 1.258 20.218 19.000 -0.065 0.000 1.292 833 A HN 0.023 nan 8.150 nan 0.000 0.435 834 V N 0.632 120.483 119.914 -0.104 0.000 2.483 834 V HA 0.642 4.769 4.120 0.011 0.000 0.295 834 V C -0.777 175.221 176.094 -0.159 0.000 1.035 834 V CA -0.428 61.792 62.300 -0.135 0.000 0.896 834 V CB 1.309 33.047 31.823 -0.141 0.000 0.986 834 V HN 0.837 nan 8.190 nan 0.000 0.447 835 L N 6.448 127.569 121.223 -0.170 0.000 2.349 835 L HA 0.659 5.005 4.340 0.011 0.000 0.278 835 L C -0.933 175.809 176.870 -0.214 0.000 0.996 835 L CA -0.061 54.687 54.840 -0.152 0.000 0.825 835 L CB 1.352 43.350 42.059 -0.103 0.000 1.243 835 L HN 0.402 nan 8.230 nan 0.000 0.412 836 I N 4.057 124.503 120.570 -0.206 0.000 2.378 836 I HA 0.475 4.651 4.170 0.011 0.000 0.291 836 I C 0.016 176.140 176.117 0.013 0.000 0.992 836 I CA -0.395 60.749 61.300 -0.260 0.000 1.154 836 I CB 1.430 39.009 38.000 -0.701 0.000 1.315 836 I HN 0.541 nan 8.210 nan 0.000 0.448 837 T N 5.088 119.644 114.554 0.003 0.000 2.807 837 T HA 0.745 5.101 4.350 0.011 0.000 0.279 837 T C 0.254 175.017 174.700 0.106 0.000 0.993 837 T CA -0.564 61.585 62.100 0.082 0.000 0.970 837 T CB 1.839 70.724 68.868 0.029 0.000 0.950 837 T HN 0.779 nan 8.240 nan 0.000 0.441 838 T N -0.942 113.716 114.554 0.173 0.000 2.865 838 T HA 0.878 5.235 4.350 0.011 0.000 0.294 838 T C -1.400 173.381 174.700 0.136 0.000 1.119 838 T CA -1.139 61.043 62.100 0.136 0.000 1.007 838 T CB 2.009 71.026 68.868 0.247 0.000 1.225 838 T HN 0.898 nan 8.240 nan 0.000 0.515 839 A N 1.236 124.071 122.820 0.026 0.000 2.500 839 A HA 0.672 4.999 4.320 0.011 0.000 0.291 839 A C -1.596 175.898 177.584 -0.150 0.000 1.048 839 A CA -0.762 51.313 52.037 0.064 0.000 0.791 839 A CB 0.562 19.598 19.000 0.061 0.000 1.309 839 A HN 0.988 nan 8.150 nan 0.000 0.397 840 H N 0.453 119.557 119.070 0.056 0.000 2.690 840 H HA 0.785 5.348 4.556 0.011 0.000 0.368 840 H C 0.084 175.420 175.328 0.013 0.000 1.150 840 H CA 0.340 56.328 56.048 -0.100 0.000 1.174 840 H CB 2.146 31.710 29.762 -0.328 0.000 1.684 840 H HN 1.010 nan 8.280 nan 0.000 0.538 841 A N 2.509 125.341 122.820 0.021 0.000 2.318 841 A HA 0.391 4.718 4.320 0.011 0.000 0.317 841 A C -1.244 176.374 177.584 0.056 0.000 1.159 841 A CA -0.687 51.430 52.037 0.134 0.000 0.799 841 A CB 0.908 19.959 19.000 0.085 0.000 1.194 841 A HN 0.605 nan 8.150 nan 0.000 0.479 842 W N 2.122 123.529 121.300 0.179 0.000 2.376 842 W HA 0.454 5.120 4.660 0.011 0.000 0.312 842 W C -0.345 176.185 176.519 0.017 0.000 1.060 842 W CA -0.129 57.318 57.345 0.169 0.000 1.221 842 W CB 1.786 31.419 29.460 0.289 0.000 1.281 842 W HN 0.791 nan 8.180 nan 0.000 0.456 843 Q N 0.992 120.928 119.800 0.227 0.000 2.496 843 Q HA 0.441 4.788 4.340 0.011 0.000 0.286 843 Q C -0.890 175.237 176.000 0.212 0.000 1.103 843 Q CA -0.765 55.123 55.803 0.141 0.000 0.813 843 Q CB 3.523 32.310 28.738 0.081 0.000 1.444 843 Q HN 0.395 nan 8.270 nan 0.000 0.443 844 H N 1.055 120.158 119.070 0.055 0.000 2.966 844 H HA 0.104 4.667 4.556 0.011 0.000 0.347 844 H C -0.993 174.367 175.328 0.053 0.000 1.048 844 H CA -0.231 55.861 56.048 0.073 0.000 1.295 844 H CB 1.175 30.989 29.762 0.087 0.000 1.744 844 H HN 0.788 nan 8.280 nan 0.000 0.513 845 Q N 3.205 122.701 119.800 -0.506 0.000 2.406 845 Q HA -0.258 4.089 4.340 0.011 0.000 0.339 845 Q C 0.966 176.886 176.000 -0.133 0.000 1.337 845 Q CA 1.121 56.705 55.803 -0.365 0.000 0.985 845 Q CB -1.350 27.096 28.738 -0.486 0.000 1.216 845 Q HN 1.133 nan 8.270 nan 0.000 0.415 846 G N -0.452 108.308 108.800 -0.067 0.000 2.179 846 G HA2 -0.371 3.596 3.960 0.011 0.000 0.260 846 G HA3 -0.371 3.596 3.960 0.011 0.000 0.260 846 G C 0.020 174.921 174.900 0.002 0.000 0.977 846 G CA 0.576 45.662 45.100 -0.022 0.000 0.641 846 G HN 0.408 nan 8.290 nan 0.000 0.533 847 K N 1.184 121.595 120.400 0.018 0.000 2.159 847 K HA 0.665 4.992 4.320 0.011 0.000 0.266 847 K C -0.049 176.565 176.600 0.023 0.000 0.975 847 K CA -0.243 56.062 56.287 0.029 0.000 0.865 847 K CB 1.107 33.634 32.500 0.045 0.000 1.087 847 K HN -0.033 nan 8.250 nan 0.000 0.446 848 T N 6.274 120.832 114.554 0.007 0.000 2.739 848 T HA 0.228 4.584 4.350 0.011 0.000 0.298 848 T C 0.974 175.623 174.700 -0.086 0.000 0.929 848 T CA -0.366 61.734 62.100 -0.001 0.000 1.014 848 T CB 0.083 68.967 68.868 0.027 0.000 0.914 848 T HN 0.557 nan 8.240 nan 0.000 0.509 849 L N 2.588 123.672 121.223 -0.231 0.000 2.145 849 L HA 0.348 4.695 4.340 0.011 0.000 0.201 849 L C 0.062 176.470 176.870 -0.770 0.000 1.075 849 L CA 0.832 55.295 54.840 -0.628 0.000 0.773 849 L CB -0.039 41.282 42.059 -1.230 0.000 0.936 849 L HN 0.481 nan 8.230 nan 0.000 0.451 850 F N -0.833 119.080 119.950 -0.061 0.000 2.588 850 F HA 0.591 5.124 4.527 0.011 0.000 0.314 850 F C -0.427 175.477 175.800 0.173 0.000 1.069 850 F CA -0.854 57.051 58.000 -0.157 0.000 0.931 850 F CB 2.054 40.543 39.000 -0.851 0.000 1.260 850 F HN -0.312 nan 8.300 nan 0.000 0.465 851 I N 1.641 122.444 120.570 0.388 0.000 2.439 851 I HA 0.291 4.468 4.170 0.011 0.000 0.285 851 I C -0.763 175.625 176.117 0.451 0.000 1.021 851 I CA -0.465 61.082 61.300 0.411 0.000 1.091 851 I CB 2.028 40.186 38.000 0.263 0.000 1.242 851 I HN 0.505 nan 8.210 nan 0.000 0.439 852 S N 7.025 123.097 115.700 0.620 0.000 2.474 852 S HA 0.550 5.027 4.470 0.011 0.000 0.321 852 S C -0.548 174.315 174.600 0.439 0.000 1.080 852 S CA -0.634 57.916 58.200 0.583 0.000 1.106 852 S CB 0.470 64.171 63.200 0.835 0.000 0.984 852 S HN 0.528 nan 8.310 nan 0.000 0.464 853 R N 3.659 124.340 120.500 0.302 0.000 2.437 853 R HA 0.589 4.935 4.340 0.011 0.000 0.310 853 R C -0.770 175.630 176.300 0.166 0.000 0.955 853 R CA -0.760 55.472 56.100 0.220 0.000 0.851 853 R CB 1.819 32.219 30.300 0.167 0.000 1.161 853 R HN 0.544 nan 8.270 nan 0.000 0.446 854 K N 0.652 121.148 120.400 0.161 0.000 2.509 854 K HA 0.477 4.804 4.320 0.011 0.000 0.266 854 K C -0.980 175.661 176.600 0.069 0.000 0.987 854 K CA -0.914 55.412 56.287 0.064 0.000 0.868 854 K CB 2.622 35.158 32.500 0.061 0.000 1.421 854 K HN 0.666 nan 8.250 nan 0.000 0.444 855 T N -1.539 112.970 114.554 -0.076 0.000 2.916 855 T HA 0.595 4.951 4.350 0.011 0.000 0.305 855 T C -1.439 173.150 174.700 -0.185 0.000 1.119 855 T CA -0.811 61.289 62.100 -0.001 0.000 1.008 855 T CB 0.608 69.480 68.868 0.007 0.000 1.129 855 T HN 0.383 nan 8.240 nan 0.000 0.480 856 Y N 0.548 120.836 120.300 -0.019 0.000 2.361 856 Y HA 0.715 5.272 4.550 0.011 0.000 0.337 856 Y C 0.300 176.140 175.900 -0.100 0.000 0.965 856 Y CA -1.370 56.725 58.100 -0.009 0.000 1.091 856 Y CB 1.921 40.419 38.460 0.063 0.000 1.182 856 Y HN 0.832 nan 8.280 nan 0.000 0.450 857 R N 3.634 124.162 120.500 0.047 0.000 2.412 857 R HA 0.664 5.011 4.340 0.011 0.000 0.304 857 R C -1.993 174.260 176.300 -0.078 0.000 1.066 857 R CA -0.472 55.608 56.100 -0.033 0.000 0.923 857 R CB 0.305 30.592 30.300 -0.021 0.000 1.156 857 R HN 0.749 nan 8.270 nan 0.000 0.513 858 I N 5.328 125.794 120.570 -0.174 0.000 2.307 858 I HA 0.190 4.366 4.170 0.011 0.000 0.289 858 I C -0.103 175.900 176.117 -0.190 0.000 1.021 858 I CA -0.375 60.745 61.300 -0.301 0.000 1.224 858 I CB 1.112 38.699 38.000 -0.688 0.000 1.376 858 I HN 0.649 nan 8.210 nan 0.000 0.470 859 D N 4.246 124.578 120.400 -0.114 0.000 2.487 859 D HA 0.258 4.905 4.640 0.011 0.000 0.262 859 D C 1.377 177.656 176.300 -0.034 0.000 1.130 859 D CA -0.736 53.226 54.000 -0.064 0.000 1.038 859 D CB 0.814 41.590 40.800 -0.041 0.000 1.142 859 D HN 0.427 nan 8.370 nan 0.000 0.575 860 G N -1.052 107.730 108.800 -0.030 0.000 2.501 860 G HA2 -0.221 3.745 3.960 0.011 0.000 0.220 860 G HA3 -0.221 3.745 3.960 0.011 0.000 0.220 860 G C 1.215 176.114 174.900 -0.002 0.000 1.114 860 G CA 1.180 46.269 45.100 -0.019 0.000 0.757 860 G HN 0.582 nan 8.290 nan 0.000 0.559 861 S N -0.836 114.863 115.700 -0.002 0.000 2.593 861 S HA 0.371 4.848 4.470 0.011 0.000 0.217 861 S C 1.795 176.444 174.600 0.083 0.000 0.966 861 S CA 0.900 59.116 58.200 0.027 0.000 0.914 861 S CB -0.051 63.156 63.200 0.013 0.000 0.776 861 S HN 1.485 nan 8.310 nan 0.000 0.523 862 G N 0.696 109.563 108.800 0.112 0.000 2.143 862 G HA2 -0.228 3.738 3.960 0.011 0.000 0.249 862 G HA3 -0.228 3.738 3.960 0.011 0.000 0.249 862 G C -0.252 174.783 174.900 0.226 0.000 0.981 862 G CA 0.096 45.333 45.100 0.228 0.000 0.665 862 G HN 0.623 nan 8.290 nan 0.000 0.528 863 Q N -0.464 119.407 119.800 0.119 0.000 2.257 863 Q HA 0.603 4.950 4.340 0.011 0.000 0.255 863 Q C 0.168 176.200 176.000 0.053 0.000 0.920 863 Q CA -0.399 55.475 55.803 0.119 0.000 0.927 863 Q CB 1.714 30.508 28.738 0.093 0.000 1.229 863 Q HN 0.451 nan 8.270 nan 0.000 0.433 864 M N 2.277 121.942 119.600 0.108 0.000 2.047 864 M HA 0.471 4.957 4.480 0.011 0.000 0.342 864 M C -1.269 175.119 176.300 0.146 0.000 1.058 864 M CA -0.447 54.891 55.300 0.064 0.000 0.991 864 M CB 0.754 33.395 32.600 0.068 0.000 1.474 864 M HN 0.689 nan 8.290 nan 0.000 0.419 865 A N 7.246 130.117 122.820 0.085 0.000 2.252 865 A HA 0.624 4.951 4.320 0.011 0.000 0.309 865 A C -0.643 176.959 177.584 0.030 0.000 1.285 865 A CA -0.635 51.449 52.037 0.077 0.000 0.900 865 A CB 0.071 19.100 19.000 0.048 0.000 1.157 865 A HN 0.924 nan 8.150 nan 0.000 0.536 866 I N 2.663 123.240 120.570 0.012 0.000 2.339 866 I HA 0.295 4.472 4.170 0.011 0.000 0.290 866 I C -0.158 175.848 176.117 -0.185 0.000 0.994 866 I CA -0.148 61.056 61.300 -0.160 0.000 1.191 866 I CB 1.796 39.727 38.000 -0.116 0.000 1.343 866 I HN 0.474 nan 8.210 nan 0.000 0.458 867 T N 5.968 120.381 114.554 -0.234 0.000 2.786 867 T HA 0.497 4.854 4.350 0.011 0.000 0.283 867 T C -0.234 174.295 174.700 -0.285 0.000 0.992 867 T CA -0.441 61.533 62.100 -0.209 0.000 0.954 867 T CB 1.749 70.587 68.868 -0.050 0.000 0.934 867 T HN 0.210 nan 8.240 nan 0.000 0.440 868 V N 3.868 123.483 119.914 -0.498 0.000 2.540 868 V HA 0.498 4.624 4.120 0.011 0.000 0.302 868 V C -0.585 175.363 176.094 -0.244 0.000 1.035 868 V CA -0.894 61.136 62.300 -0.450 0.000 0.873 868 V CB 1.974 33.301 31.823 -0.826 0.000 0.992 868 V HN 0.846 nan 8.190 nan 0.000 0.428 869 D N 3.366 123.791 120.400 0.042 0.000 2.549 869 D HA 0.537 5.184 4.640 0.011 0.000 0.251 869 D C -1.039 175.401 176.300 0.233 0.000 1.153 869 D CA -0.117 54.001 54.000 0.197 0.000 0.861 869 D CB 2.841 43.782 40.800 0.235 0.000 1.207 869 D HN 0.254 nan 8.370 nan 0.000 0.543 870 V N 2.147 122.235 119.914 0.290 0.000 2.715 870 V HA 0.341 4.468 4.120 0.011 0.000 0.310 870 V C -0.051 176.200 176.094 0.262 0.000 1.054 870 V CA -0.717 61.770 62.300 0.311 0.000 0.928 870 V CB 2.542 34.594 31.823 0.381 0.000 1.007 870 V HN 0.380 nan 8.190 nan 0.000 0.437 871 E N 2.231 122.576 120.200 0.243 0.000 2.210 871 E HA 0.611 4.967 4.350 0.011 0.000 0.266 871 E C -1.657 175.075 176.600 0.219 0.000 0.883 871 E CA -0.610 55.907 56.400 0.196 0.000 0.761 871 E CB 2.651 32.444 29.700 0.155 0.000 1.156 871 E HN 0.373 nan 8.360 nan 0.000 0.412 872 V N 1.818 121.860 119.914 0.213 0.000 2.444 872 V HA 0.366 4.492 4.120 0.011 0.000 0.294 872 V C 0.173 176.364 176.094 0.161 0.000 1.022 872 V CA -0.992 61.455 62.300 0.245 0.000 0.850 872 V CB 1.456 33.461 31.823 0.305 0.000 0.992 872 V HN 0.840 nan 8.190 nan 0.000 0.426 873 A N 3.485 126.358 122.820 0.089 0.000 2.566 873 A HA 0.234 4.561 4.320 0.011 0.000 0.245 873 A C 1.649 179.307 177.584 0.123 0.000 1.056 873 A CA 0.696 52.774 52.037 0.068 0.000 0.757 873 A CB 0.209 19.215 19.000 0.009 0.000 0.979 873 A HN 1.396 nan 8.150 nan 0.000 0.508 874 S N 1.382 117.152 115.700 0.116 0.000 2.469 874 S HA -0.144 4.333 4.470 0.011 0.000 0.238 874 S C 0.885 175.573 174.600 0.146 0.000 0.998 874 S CA 1.290 59.579 58.200 0.148 0.000 0.957 874 S CB -0.248 63.015 63.200 0.105 0.000 0.764 874 S HN 0.822 nan 8.310 nan 0.000 0.514 875 D N 0.242 120.702 120.400 0.099 0.000 2.340 875 D HA 0.141 4.788 4.640 0.011 0.000 0.217 875 D C 0.415 176.756 176.300 0.069 0.000 1.081 875 D CA -0.033 54.009 54.000 0.070 0.000 0.842 875 D CB -0.281 40.546 40.800 0.044 0.000 0.934 875 D HN 0.293 nan 8.370 nan 0.000 0.511 876 T N 1.149 115.771 114.554 0.113 0.000 2.902 876 T HA 0.427 4.783 4.350 0.011 0.000 0.283 876 T C -2.665 172.153 174.700 0.197 0.000 1.009 876 T CA -2.060 60.129 62.100 0.148 0.000 1.051 876 T CB 1.192 70.162 68.868 0.170 0.000 0.999 876 T HN -0.197 nan 8.240 nan 0.000 0.474 877 P HA 0.028 nan 4.420 nan 0.000 0.261 877 P C -0.617 177.002 177.300 0.532 0.000 1.173 877 P CA 0.290 63.492 63.100 0.171 0.000 0.760 877 P CB -0.186 31.585 31.700 0.119 0.000 0.783 878 H N 4.256 123.703 119.070 0.627 0.000 3.070 878 H HA 0.070 4.632 4.556 0.011 0.000 0.313 878 H C -1.587 174.123 175.328 0.637 0.000 0.997 878 H CA -1.444 54.917 56.048 0.522 0.000 1.438 878 H CB -0.482 29.506 29.762 0.377 0.000 1.455 878 H HN 0.386 nan 8.280 nan 0.000 0.575 879 P HA -0.014 nan 4.420 nan 0.000 0.272 879 P C 0.250 177.489 177.300 -0.102 0.000 1.223 879 P CA -0.227 62.981 63.100 0.181 0.000 0.784 879 P CB 1.064 32.681 31.700 -0.139 0.000 0.923 880 A N 3.642 126.140 122.820 -0.537 0.000 1.972 880 A HA -0.125 4.202 4.320 0.011 0.000 0.219 880 A C 1.018 178.219 177.584 -0.639 0.000 1.169 880 A CA 1.356 53.012 52.037 -0.635 0.000 0.635 880 A CB -0.551 17.820 19.000 -1.048 0.000 0.810 880 A HN 0.757 nan 8.150 nan 0.000 0.446 881 R N -2.834 117.319 120.500 -0.577 0.000 2.712 881 R HA 0.717 5.063 4.340 0.011 0.000 0.272 881 R C -1.640 174.416 176.300 -0.406 0.000 1.032 881 R CA -0.819 54.955 56.100 -0.544 0.000 0.874 881 R CB 0.839 30.782 30.300 -0.596 0.000 1.256 881 R HN -0.004 nan 8.270 nan 0.000 0.468 882 I N 1.321 121.690 120.570 -0.336 0.000 2.521 882 I HA 0.621 4.798 4.170 0.011 0.000 0.277 882 I C -0.413 175.489 176.117 -0.360 0.000 1.054 882 I CA -0.353 60.785 61.300 -0.270 0.000 1.117 882 I CB 1.701 39.606 38.000 -0.159 0.000 1.217 882 I HN 0.981 nan 8.210 nan 0.000 0.469 883 G N 5.877 114.397 108.800 -0.467 0.000 2.650 883 G HA2 0.715 4.681 3.960 0.011 0.000 0.310 883 G HA3 0.715 4.681 3.960 0.011 0.000 0.310 883 G C -1.725 172.977 174.900 -0.330 0.000 1.270 883 G CA -0.530 44.331 45.100 -0.399 0.000 0.810 883 G HN 0.250 nan 8.290 nan 0.000 0.493 884 L N 0.759 121.848 121.223 -0.224 0.000 2.327 884 L HA 0.655 5.002 4.340 0.011 0.000 0.258 884 L C -0.889 175.881 176.870 -0.167 0.000 1.024 884 L CA -1.164 53.577 54.840 -0.165 0.000 0.825 884 L CB 2.596 44.643 42.059 -0.020 0.000 1.386 884 L HN 0.853 nan 8.230 nan 0.000 0.417 885 N N 0.262 118.894 118.700 -0.113 0.000 2.708 885 N HA 0.696 5.443 4.740 0.011 0.000 0.257 885 N C -1.204 174.332 175.510 0.042 0.000 1.373 885 N CA -0.618 52.406 53.050 -0.044 0.000 0.843 885 N CB 2.105 40.584 38.487 -0.013 0.000 1.503 885 N HN 0.830 nan 8.380 nan 0.000 0.504 886 C N -2.128 117.227 119.300 0.091 0.000 3.306 886 C HA 0.642 5.109 4.460 0.011 0.000 0.335 886 C C -1.256 173.624 174.990 -0.184 0.000 1.382 886 C CA -0.867 58.163 59.018 0.019 0.000 1.254 886 C CB 1.051 28.816 27.740 0.041 0.000 1.555 886 C HN 0.884 nan 8.230 nan 0.000 0.463 887 Q N 1.314 120.776 119.800 -0.563 0.000 2.368 887 Q HA 0.667 5.014 4.340 0.011 0.000 0.263 887 Q C -1.093 174.625 176.000 -0.469 0.000 1.009 887 Q CA -0.449 54.758 55.803 -0.992 0.000 0.818 887 Q CB 0.873 28.558 28.738 -1.754 0.000 1.239 887 Q HN 0.763 nan 8.270 nan 0.000 0.464 888 L N 2.757 123.814 121.223 -0.277 0.000 2.417 888 L HA 0.290 4.637 4.340 0.011 0.000 0.268 888 L C 1.288 178.102 176.870 -0.092 0.000 1.158 888 L CA -0.224 54.565 54.840 -0.084 0.000 0.819 888 L CB 0.733 42.846 42.059 0.091 0.000 1.112 888 L HN 0.829 nan 8.230 nan 0.000 0.458 889 A N 2.036 124.827 122.820 -0.048 0.000 1.930 889 A HA -0.147 4.180 4.320 0.011 0.000 0.217 889 A C 1.223 178.798 177.584 -0.014 0.000 1.175 889 A CA 0.733 52.733 52.037 -0.061 0.000 0.627 889 A CB -0.345 18.617 19.000 -0.062 0.000 0.815 889 A HN 0.814 nan 8.150 nan 0.000 0.443 890 Q N -0.240 119.595 119.800 0.058 0.000 2.395 890 Q HA 0.337 4.684 4.340 0.011 0.000 0.271 890 Q C -1.102 174.946 176.000 0.079 0.000 1.026 890 Q CA 0.618 56.452 55.803 0.052 0.000 0.900 890 Q CB 0.595 29.407 28.738 0.124 0.000 1.266 890 Q HN 0.168 nan 8.270 nan 0.000 0.430 891 V N 3.692 123.602 119.914 -0.006 0.000 2.445 891 V HA 0.669 4.796 4.120 0.011 0.000 0.283 891 V C -0.618 175.427 176.094 -0.081 0.000 1.014 891 V CA -0.272 62.052 62.300 0.039 0.000 0.852 891 V CB 0.923 32.763 31.823 0.027 0.000 1.021 891 V HN 0.904 nan 8.190 nan 0.000 0.435 892 A N 3.098 125.776 122.820 -0.236 0.000 2.281 892 A HA 0.733 5.060 4.320 0.011 0.000 0.329 892 A C 0.992 178.569 177.584 -0.012 0.000 1.122 892 A CA 0.006 51.856 52.037 -0.313 0.000 0.850 892 A CB 1.106 19.634 19.000 -0.788 0.000 1.207 892 A HN 0.938 nan 8.150 nan 0.000 0.495 893 E N 0.183 120.380 120.200 -0.004 0.000 2.230 893 E HA 0.012 4.369 4.350 0.011 0.000 0.192 893 E C 0.322 176.996 176.600 0.123 0.000 0.987 893 E CA 0.376 56.813 56.400 0.062 0.000 0.841 893 E CB 0.143 29.860 29.700 0.028 0.000 0.783 893 E HN 0.564 nan 8.360 nan 0.000 0.481 894 R N 0.128 120.717 120.500 0.147 0.000 2.888 894 R HA 0.595 4.942 4.340 0.011 0.000 0.264 894 R C -1.195 175.296 176.300 0.319 0.000 1.045 894 R CA -1.004 55.216 56.100 0.200 0.000 0.962 894 R CB 2.169 32.557 30.300 0.148 0.000 1.210 894 R HN -0.072 nan 8.270 nan 0.000 0.479 895 V N 1.551 121.656 119.914 0.319 0.000 2.531 895 V HA 0.348 4.475 4.120 0.011 0.000 0.301 895 V C -0.445 175.923 176.094 0.457 0.000 1.034 895 V CA -0.930 61.592 62.300 0.369 0.000 0.865 895 V CB 1.772 33.746 31.823 0.252 0.000 0.995 895 V HN 0.698 nan 8.190 nan 0.000 0.424 896 N N 4.471 123.416 118.700 0.409 0.000 2.314 896 N HA 0.545 5.291 4.740 0.011 0.000 0.294 896 N C -1.317 174.461 175.510 0.447 0.000 1.029 896 N CA -0.447 52.818 53.050 0.357 0.000 0.845 896 N CB 2.698 41.285 38.487 0.166 0.000 1.321 896 N HN 0.827 nan 8.380 nan 0.000 0.481 897 W N 3.043 124.380 121.300 0.061 0.000 3.075 897 W HA 0.603 5.270 4.660 0.011 0.000 0.334 897 W C -2.057 174.429 176.519 -0.055 0.000 1.243 897 W CA -1.143 56.213 57.345 0.018 0.000 1.170 897 W CB 0.783 30.271 29.460 0.047 0.000 1.452 897 W HN 0.244 nan 8.180 nan 0.000 0.572 898 L N 3.730 124.963 121.223 0.016 0.000 2.294 898 L HA 0.933 5.279 4.340 0.011 0.000 0.283 898 L C 0.009 176.752 176.870 -0.212 0.000 1.015 898 L CA 0.388 55.032 54.840 -0.326 0.000 0.831 898 L CB 0.860 42.781 42.059 -0.230 0.000 1.217 898 L HN 1.055 nan 8.230 nan 0.000 0.420 899 G N 3.716 112.235 108.800 -0.468 0.000 2.344 899 G HA2 0.173 4.140 3.960 0.011 0.000 0.282 899 G HA3 0.173 4.140 3.960 0.011 0.000 0.282 899 G C -1.645 173.350 174.900 0.158 0.000 1.281 899 G CA -1.054 44.029 45.100 -0.027 0.000 0.877 899 G HN 0.500 nan 8.290 nan 0.000 0.494 900 L N 1.186 122.620 121.223 0.350 0.000 2.410 900 L HA 0.598 4.944 4.340 0.011 0.000 0.273 900 L C 1.120 178.093 176.870 0.171 0.000 1.152 900 L CA 0.789 55.777 54.840 0.247 0.000 0.855 900 L CB 0.436 42.580 42.059 0.142 0.000 1.129 900 L HN 1.208 nan 8.230 nan 0.000 0.463 901 G N 2.937 111.598 108.800 -0.232 0.000 2.435 901 G HA2 0.263 4.230 3.960 0.011 0.000 0.296 901 G HA3 0.263 4.230 3.960 0.011 0.000 0.296 901 G C -2.697 171.390 174.900 -1.355 0.000 1.240 901 G CA -0.228 44.410 45.100 -0.769 0.000 0.872 901 G HN 0.309 nan 8.290 nan 0.000 0.480 902 P HA 0.061 nan 4.420 nan 0.000 0.227 902 P C 0.376 177.465 177.300 -0.352 0.000 1.161 902 P CA 0.715 63.146 63.100 -1.114 0.000 0.788 902 P CB 0.351 31.565 31.700 -0.810 0.000 0.822 903 Q N 0.436 120.043 119.800 -0.320 0.000 2.237 903 Q HA 0.217 4.563 4.340 0.011 0.000 0.219 903 Q C 0.383 176.273 176.000 -0.182 0.000 0.999 903 Q CA -0.821 54.870 55.803 -0.188 0.000 0.959 903 Q CB 0.624 29.272 28.738 -0.150 0.000 1.173 903 Q HN 0.100 nan 8.270 nan 0.000 0.527 904 E N 1.250 121.350 120.200 -0.167 0.000 2.502 904 E HA -0.097 4.259 4.350 0.011 0.000 0.261 904 E C -1.196 175.321 176.600 -0.139 0.000 0.974 904 E CA 0.271 56.559 56.400 -0.186 0.000 0.936 904 E CB 0.201 29.852 29.700 -0.083 0.000 0.926 904 E HN 0.639 nan 8.360 nan 0.000 0.459 905 N N 2.843 121.387 118.700 -0.260 0.000 2.371 905 N HA 0.281 5.027 4.740 0.011 0.000 0.280 905 N C -1.834 173.455 175.510 -0.368 0.000 1.084 905 N CA -0.700 52.249 53.050 -0.168 0.000 0.892 905 N CB 0.692 39.104 38.487 -0.125 0.000 1.653 905 N HN 0.246 nan 8.380 nan 0.000 0.480 906 Y N 0.567 120.787 120.300 -0.132 0.000 2.602 906 Y HA 0.501 5.058 4.550 0.011 0.000 0.330 906 Y C -1.507 174.341 175.900 -0.088 0.000 1.114 906 Y CA -2.081 55.931 58.100 -0.146 0.000 1.182 906 Y CB 1.522 39.892 38.460 -0.150 0.000 1.305 906 Y HN 0.451 nan 8.280 nan 0.000 0.502 907 P HA -0.166 nan 4.420 nan 0.000 0.216 907 P C 0.235 177.505 177.300 -0.050 0.000 1.150 907 P CA 2.000 65.182 63.100 0.137 0.000 0.843 907 P CB 0.176 32.058 31.700 0.304 0.000 0.787 908 D N -2.226 117.932 120.400 -0.403 0.000 2.342 908 D HA 0.025 4.672 4.640 0.011 0.000 0.221 908 D C 0.732 176.886 176.300 -0.243 0.000 1.101 908 D CA 0.009 53.515 54.000 -0.823 0.000 0.837 908 D CB -0.288 39.791 40.800 -1.200 0.000 0.938 908 D HN 0.122 nan 8.370 nan 0.000 0.508 909 R N 1.140 121.603 120.500 -0.061 0.000 2.593 909 R HA 0.165 4.512 4.340 0.011 0.000 0.258 909 R C -0.499 175.835 176.300 0.057 0.000 1.410 909 R CA -0.111 56.009 56.100 0.033 0.000 1.537 909 R CB 0.097 30.427 30.300 0.048 0.000 1.362 909 R HN 0.094 nan 8.270 nan 0.000 0.734 910 L N -2.342 118.921 121.223 0.067 0.000 3.135 910 L HA 0.339 4.685 4.340 0.011 0.000 0.279 910 L C 1.461 178.391 176.870 0.100 0.000 1.200 910 L CA 0.200 55.079 54.840 0.065 0.000 1.016 910 L CB -0.026 42.060 42.059 0.044 0.000 1.391 910 L HN 0.043 nan 8.230 nan 0.000 0.588 911 T N -2.283 112.357 114.554 0.142 0.000 2.788 911 T HA -0.075 4.281 4.350 0.011 0.000 0.268 911 T C 1.892 176.661 174.700 0.114 0.000 1.044 911 T CA 1.479 63.690 62.100 0.185 0.000 1.139 911 T CB -0.486 68.541 68.868 0.265 0.000 0.867 911 T HN 0.382 nan 8.240 nan 0.000 0.454 912 A N 2.206 125.103 122.820 0.127 0.000 1.969 912 A HA 0.520 4.846 4.320 0.011 0.000 0.218 912 A C 1.755 179.433 177.584 0.156 0.000 1.169 912 A CA 0.845 52.915 52.037 0.054 0.000 0.635 912 A CB -1.273 17.886 19.000 0.265 0.000 0.810 912 A HN 0.934 nan 8.150 nan 0.000 0.445 913 A N -1.118 121.738 122.820 0.060 0.000 2.483 913 A HA 0.377 4.704 4.320 0.011 0.000 0.238 913 A C 0.156 177.768 177.584 0.046 0.000 1.070 913 A CA 0.153 52.182 52.037 -0.014 0.000 0.770 913 A CB -0.308 18.668 19.000 -0.039 0.000 1.008 913 A HN 0.545 nan 8.150 nan 0.000 0.497 914 C N 1.110 120.426 119.300 0.028 0.000 2.493 914 C HA 0.559 5.025 4.460 0.011 0.000 0.326 914 C C -0.047 175.086 174.990 0.237 0.000 1.200 914 C CA -0.479 58.627 59.018 0.147 0.000 1.739 914 C CB 0.620 28.452 27.740 0.153 0.000 2.300 914 C HN 0.786 nan 8.230 nan 0.000 0.500 915 F N 3.943 123.787 119.950 -0.176 0.000 2.420 915 F HA 0.532 5.066 4.527 0.011 0.000 0.352 915 F C 0.297 175.804 175.800 -0.487 0.000 1.108 915 F CA 0.992 58.767 58.000 -0.375 0.000 1.162 915 F CB 0.067 38.446 39.000 -1.035 0.000 1.118 915 F HN 0.678 nan 8.300 nan 0.000 0.510 916 D N 3.406 123.138 120.400 -1.114 0.000 3.024 916 D HA 0.130 4.776 4.640 0.011 0.000 0.354 916 D C -1.697 173.610 176.300 -1.654 0.000 1.431 916 D CA -0.745 52.450 54.000 -1.341 0.000 0.842 916 D CB 1.406 41.403 40.800 -1.339 0.000 1.437 916 D HN 0.540 nan 8.370 nan 0.000 0.507 917 R N 0.745 120.355 120.500 -1.483 0.000 2.207 917 R HA 0.530 4.876 4.340 0.011 0.000 0.334 917 R C -1.409 174.082 176.300 -1.348 0.000 1.013 917 R CA -0.236 55.171 56.100 -1.154 0.000 0.858 917 R CB 0.349 30.265 30.300 -0.639 0.000 1.094 917 R HN 0.272 nan 8.270 nan 0.000 0.457 918 W N 2.589 123.359 121.300 -0.884 0.000 2.706 918 W HA 0.459 5.125 4.660 0.011 0.000 0.346 918 W C -0.566 175.587 176.519 -0.610 0.000 1.071 918 W CA -0.721 56.053 57.345 -0.951 0.000 1.206 918 W CB 1.729 30.108 29.460 -1.801 0.000 1.413 918 W HN 0.361 nan 8.180 nan 0.000 0.542 919 D N 2.369 122.745 120.400 -0.040 0.000 2.764 919 D HA 0.452 5.099 4.640 0.011 0.000 0.227 919 D C -1.450 174.955 176.300 0.176 0.000 1.347 919 D CA -0.119 53.950 54.000 0.114 0.000 0.953 919 D CB 1.123 41.945 40.800 0.036 0.000 1.476 919 D HN 0.391 nan 8.370 nan 0.000 0.585 920 L N 2.531 123.926 121.223 0.286 0.000 2.322 920 L HA 0.567 4.913 4.340 0.011 0.000 0.252 920 L C -2.403 174.585 176.870 0.197 0.000 1.055 920 L CA -2.196 52.778 54.840 0.223 0.000 0.849 920 L CB 2.872 45.109 42.059 0.297 0.000 1.446 920 L HN 0.166 nan 8.230 nan 0.000 0.416 921 P HA 0.064 nan 4.420 nan 0.000 0.276 921 P C 0.617 177.992 177.300 0.125 0.000 1.243 921 P CA -0.303 62.869 63.100 0.120 0.000 0.768 921 P CB 1.015 32.766 31.700 0.085 0.000 0.856 922 L N 4.530 125.835 121.223 0.137 0.000 2.113 922 L HA -0.355 3.991 4.340 0.011 0.000 0.221 922 L C 2.273 179.192 176.870 0.082 0.000 1.084 922 L CA 2.981 57.888 54.840 0.112 0.000 0.787 922 L CB -1.539 40.601 42.059 0.134 0.000 0.893 922 L HN 0.460 nan 8.230 nan 0.000 0.440 923 S N -1.701 114.052 115.700 0.087 0.000 2.370 923 S HA -0.218 4.259 4.470 0.011 0.000 0.226 923 S C 1.666 176.337 174.600 0.119 0.000 1.033 923 S CA 1.282 59.548 58.200 0.111 0.000 1.011 923 S CB -0.927 62.328 63.200 0.093 0.000 0.852 923 S HN 0.560 nan 8.310 nan 0.000 0.457 924 D N 1.147 121.594 120.400 0.078 0.000 2.378 924 D HA 0.064 4.710 4.640 0.011 0.000 0.222 924 D C 1.177 177.482 176.300 0.009 0.000 0.980 924 D CA 0.628 54.651 54.000 0.040 0.000 0.907 924 D CB -0.187 40.644 40.800 0.051 0.000 0.899 924 D HN 0.393 nan 8.370 nan 0.000 0.527 925 M N -0.433 119.184 119.600 0.028 0.000 2.494 925 M HA 0.064 4.551 4.480 0.011 0.000 0.232 925 M C -0.115 176.197 176.300 0.021 0.000 1.137 925 M CA -0.069 55.205 55.300 -0.043 0.000 1.012 925 M CB -0.756 31.806 32.600 -0.063 0.000 1.567 925 M HN -0.050 nan 8.290 nan 0.000 0.486 926 Y N 0.097 120.364 120.300 -0.056 0.000 2.376 926 Y HA 0.489 5.045 4.550 0.011 0.000 0.340 926 Y C -0.774 175.081 175.900 -0.075 0.000 0.965 926 Y CA -0.974 57.114 58.100 -0.021 0.000 1.078 926 Y CB 1.285 39.799 38.460 0.089 0.000 1.193 926 Y HN -0.115 nan 8.280 nan 0.000 0.452 927 T N 9.270 123.327 114.554 -0.828 0.000 2.770 927 T HA 0.275 4.632 4.350 0.011 0.000 0.297 927 T C -2.665 171.236 174.700 -1.331 0.000 0.997 927 T CA -1.510 60.030 62.100 -0.933 0.000 0.949 927 T CB 0.959 69.384 68.868 -0.738 0.000 0.941 927 T HN 0.450 nan 8.240 nan 0.000 0.457 928 P HA 0.114 nan 4.420 nan 0.000 0.225 928 P C -0.599 176.551 177.300 -0.251 0.000 1.768 928 P CA -0.411 62.268 63.100 -0.701 0.000 0.943 928 P CB -0.822 30.615 31.700 -0.437 0.000 1.936 929 Y N -0.313 119.917 120.300 -0.117 0.000 2.610 929 Y HA -0.100 4.457 4.550 0.011 0.000 0.332 929 Y C 2.275 178.226 175.900 0.086 0.000 1.201 929 Y CA -0.380 57.717 58.100 -0.005 0.000 1.465 929 Y CB 0.478 38.881 38.460 -0.096 0.000 1.283 929 Y HN -0.089 nan 8.280 nan 0.000 0.563 930 V N 3.550 123.682 119.914 0.364 0.000 2.252 930 V HA -0.330 3.797 4.120 0.011 0.000 0.249 930 V C 0.662 176.926 176.094 0.283 0.000 1.056 930 V CA 1.561 64.054 62.300 0.322 0.000 1.022 930 V CB -0.537 31.505 31.823 0.364 0.000 0.641 930 V HN 0.604 nan 8.190 nan 0.000 0.445 931 F N 3.341 123.341 119.950 0.083 0.000 2.375 931 F HA 0.461 4.994 4.527 0.011 0.000 0.362 931 F C -2.344 173.480 175.800 0.039 0.000 1.129 931 F CA -3.533 54.466 58.000 -0.002 0.000 1.154 931 F CB 0.398 39.300 39.000 -0.164 0.000 1.205 931 F HN 0.034 nan 8.300 nan 0.000 0.513 932 P HA 0.204 nan 4.420 nan 0.000 0.268 932 P C -0.952 176.031 177.300 -0.527 0.000 1.205 932 P CA 0.160 63.031 63.100 -0.382 0.000 0.771 932 P CB 1.129 32.628 31.700 -0.336 0.000 0.858 933 S N 0.186 115.767 115.700 -0.199 0.000 2.661 933 S HA 0.440 4.916 4.470 0.011 0.000 0.268 933 S C -0.818 173.766 174.600 -0.026 0.000 1.162 933 S CA -0.955 57.170 58.200 -0.124 0.000 0.817 933 S CB 0.488 63.642 63.200 -0.077 0.000 1.141 933 S HN 0.334 nan 8.310 nan 0.000 0.477 934 E N 1.153 121.350 120.200 -0.004 0.000 2.568 934 E HA 0.326 4.683 4.350 0.011 0.000 0.262 934 E C -0.166 176.484 176.600 0.084 0.000 0.961 934 E CA 0.996 57.422 56.400 0.042 0.000 0.945 934 E CB -0.256 29.489 29.700 0.076 0.000 0.924 934 E HN 0.834 nan 8.360 nan 0.000 0.467 935 N N 1.220 120.007 118.700 0.145 0.000 3.185 935 N HA 0.444 5.191 4.740 0.011 0.000 0.238 935 N C 0.066 175.642 175.510 0.109 0.000 1.451 935 N CA -0.571 52.608 53.050 0.215 0.000 0.888 935 N CB 0.722 39.345 38.487 0.227 0.000 1.413 935 N HN 0.799 nan 8.380 nan 0.000 0.511 936 G N -1.177 107.656 108.800 0.054 0.000 2.153 936 G HA2 -0.264 3.703 3.960 0.011 0.000 0.252 936 G HA3 -0.264 3.703 3.960 0.011 0.000 0.252 936 G C -0.248 174.416 174.900 -0.392 0.000 0.994 936 G CA 0.467 45.477 45.100 -0.149 0.000 0.698 936 G HN 0.740 nan 8.290 nan 0.000 0.521 937 L N -0.277 120.639 121.223 -0.512 0.000 2.483 937 L HA 0.691 5.038 4.340 0.011 0.000 0.275 937 L C 0.628 176.922 176.870 -0.960 0.000 1.220 937 L CA 0.336 54.622 54.840 -0.924 0.000 0.833 937 L CB 0.571 41.756 42.059 -1.456 0.000 1.102 937 L HN 0.253 nan 8.230 nan 0.000 0.490 938 R N 2.535 122.394 120.500 -1.069 0.000 2.538 938 R HA 0.513 4.859 4.340 0.011 0.000 0.292 938 R C -1.044 174.898 176.300 -0.596 0.000 1.008 938 R CA -0.286 55.318 56.100 -0.827 0.000 0.896 938 R CB 1.413 31.154 30.300 -0.932 0.000 1.187 938 R HN 0.725 nan 8.270 nan 0.000 0.440 939 C N 0.195 119.303 119.300 -0.321 0.000 2.380 939 C HA 0.742 5.209 4.460 0.011 0.000 0.393 939 C C 1.307 176.287 174.990 -0.015 0.000 1.284 939 C CA -0.131 58.784 59.018 -0.172 0.000 2.033 939 C CB 1.284 28.945 27.740 -0.132 0.000 2.165 939 C HN 1.026 nan 8.230 nan 0.000 0.540 940 G N 1.653 110.456 108.800 0.005 0.000 2.341 940 G HA2 -0.186 3.781 3.960 0.011 0.000 0.292 940 G HA3 -0.186 3.781 3.960 0.011 0.000 0.292 940 G C -0.064 174.917 174.900 0.134 0.000 1.021 940 G CA 0.610 45.762 45.100 0.087 0.000 0.905 940 G HN 0.821 nan 8.290 nan 0.000 0.508 941 T N -0.077 114.429 114.554 -0.080 0.000 2.806 941 T HA 0.543 4.900 4.350 0.011 0.000 0.290 941 T C 1.289 175.666 174.700 -0.539 0.000 0.966 941 T CA -0.580 61.384 62.100 -0.226 0.000 1.060 941 T CB 1.543 70.273 68.868 -0.229 0.000 0.927 941 T HN 0.232 nan 8.240 nan 0.000 0.485 942 R N 1.335 121.732 120.500 -0.170 0.000 2.279 942 R HA 0.318 4.664 4.340 0.011 0.000 0.195 942 R C 0.480 176.806 176.300 0.044 0.000 0.905 942 R CA 0.153 56.233 56.100 -0.034 0.000 1.044 942 R CB 0.406 30.814 30.300 0.181 0.000 1.056 942 R HN 0.711 nan 8.270 nan 0.000 0.535 943 E N 0.513 120.740 120.200 0.045 0.000 2.335 943 E HA 0.345 4.702 4.350 0.011 0.000 0.280 943 E C -1.861 174.872 176.600 0.221 0.000 0.918 943 E CA -0.685 55.830 56.400 0.191 0.000 0.765 943 E CB 1.595 31.382 29.700 0.145 0.000 1.218 943 E HN -0.082 nan 8.360 nan 0.000 0.425 944 L N 4.338 125.757 121.223 0.328 0.000 2.439 944 L HA 0.562 4.908 4.340 0.011 0.000 0.270 944 L C -1.934 175.147 176.870 0.353 0.000 0.972 944 L CA -0.393 54.582 54.840 0.225 0.000 0.836 944 L CB 1.599 43.646 42.059 -0.019 0.000 1.255 944 L HN 0.435 nan 8.230 nan 0.000 0.404 945 N N 4.621 123.488 118.700 0.278 0.000 2.372 945 N HA 0.388 5.135 4.740 0.011 0.000 0.285 945 N C -1.913 173.824 175.510 0.378 0.000 1.008 945 N CA -0.245 52.970 53.050 0.275 0.000 0.880 945 N CB 2.086 40.678 38.487 0.174 0.000 1.239 945 N HN 0.594 nan 8.380 nan 0.000 0.484 946 Y N 1.306 121.763 120.300 0.263 0.000 2.361 946 Y HA 0.423 4.979 4.550 0.011 0.000 0.328 946 Y C 0.733 176.741 175.900 0.180 0.000 1.044 946 Y CA 0.064 58.307 58.100 0.239 0.000 1.085 946 Y CB 0.796 39.442 38.460 0.310 0.000 1.194 946 Y HN 0.841 nan 8.280 nan 0.000 0.438 947 G N 6.514 115.172 108.800 -0.237 0.000 2.596 947 G HA2 -0.324 3.643 3.960 0.011 0.000 0.295 947 G HA3 -0.324 3.643 3.960 0.011 0.000 0.295 947 G C -1.602 173.193 174.900 -0.175 0.000 1.240 947 G CA 0.171 45.106 45.100 -0.275 0.000 0.985 947 G HN 0.564 nan 8.290 nan 0.000 0.555 948 P HA 0.061 nan 4.420 nan 0.000 0.225 948 P C 0.587 177.706 177.300 -0.302 0.000 1.156 948 P CA 1.238 64.145 63.100 -0.322 0.000 0.787 948 P CB -0.182 31.237 31.700 -0.468 0.000 0.802 949 H N 0.263 119.286 119.070 -0.079 0.000 2.615 949 H HA 0.385 4.947 4.556 0.011 0.000 0.363 949 H C 0.266 175.348 175.328 -0.411 0.000 1.148 949 H CA 0.255 56.130 56.048 -0.288 0.000 1.401 949 H CB 0.941 30.388 29.762 -0.526 0.000 1.461 949 H HN 0.119 nan 8.280 nan 0.000 0.588 950 Q N 2.227 121.723 119.800 -0.506 0.000 2.268 950 Q HA 0.191 4.537 4.340 0.011 0.000 0.266 950 Q C -1.752 173.947 176.000 -0.502 0.000 1.006 950 Q CA -0.605 55.006 55.803 -0.320 0.000 0.824 950 Q CB 1.887 30.597 28.738 -0.047 0.000 1.306 950 Q HN 0.618 nan 8.270 nan 0.000 0.424 951 W N 4.060 125.300 121.300 -0.102 0.000 2.587 951 W HA 0.590 5.257 4.660 0.011 0.000 0.324 951 W C -0.142 176.455 176.519 0.130 0.000 1.040 951 W CA -0.827 56.427 57.345 -0.152 0.000 1.222 951 W CB 1.876 31.028 29.460 -0.514 0.000 1.381 951 W HN 0.455 nan 8.180 nan 0.000 0.483 952 R N 0.831 121.564 120.500 0.389 0.000 2.686 952 R HA 0.758 5.105 4.340 0.011 0.000 0.286 952 R C 0.207 176.785 176.300 0.464 0.000 0.969 952 R CA -0.392 55.958 56.100 0.416 0.000 0.898 952 R CB 2.361 32.813 30.300 0.252 0.000 1.183 952 R HN 0.771 nan 8.270 nan 0.000 0.456 953 G N 0.806 109.899 108.800 0.487 0.000 2.591 953 G HA2 0.004 3.971 3.960 0.011 0.000 0.104 953 G HA3 0.004 3.971 3.960 0.011 0.000 0.104 953 G C -1.712 173.348 174.900 0.267 0.000 1.097 953 G CA -0.314 45.034 45.100 0.413 0.000 1.076 953 G HN 0.485 nan 8.290 nan 0.000 0.485 954 D N 0.056 120.625 120.400 0.281 0.000 2.527 954 D HA 0.567 5.214 4.640 0.011 0.000 0.242 954 D C -0.733 175.616 176.300 0.081 0.000 1.285 954 D CA -0.455 53.595 54.000 0.084 0.000 0.886 954 D CB 0.081 40.939 40.800 0.097 0.000 1.402 954 D HN 0.531 nan 8.370 nan 0.000 0.528 955 F N -0.408 119.537 119.950 -0.009 0.000 2.726 955 F HA 0.745 5.278 4.527 0.011 0.000 0.324 955 F C -0.909 174.847 175.800 -0.073 0.000 1.140 955 F CA -1.037 56.894 58.000 -0.116 0.000 0.964 955 F CB 0.705 39.639 39.000 -0.110 0.000 1.399 955 F HN -0.197 nan 8.300 nan 0.000 0.491 956 Q N 1.455 121.340 119.800 0.141 0.000 2.297 956 Q HA 0.677 5.024 4.340 0.011 0.000 0.268 956 Q C -1.142 174.937 176.000 0.131 0.000 1.045 956 Q CA -0.562 55.236 55.803 -0.007 0.000 0.861 956 Q CB 2.585 31.201 28.738 -0.203 0.000 1.344 956 Q HN 0.874 nan 8.270 nan 0.000 0.452 957 F N -1.480 118.359 119.950 -0.185 0.000 2.741 957 F HA 0.754 5.288 4.527 0.011 0.000 0.313 957 F C -1.759 173.831 175.800 -0.349 0.000 1.153 957 F CA -1.114 56.737 58.000 -0.248 0.000 0.931 957 F CB 1.555 40.437 39.000 -0.197 0.000 1.335 957 F HN 0.581 nan 8.300 nan 0.000 0.460 958 N N 1.155 119.663 118.700 -0.320 0.000 2.367 958 N HA 0.647 5.394 4.740 0.011 0.000 0.278 958 N C -2.314 173.136 175.510 -0.101 0.000 1.117 958 N CA -0.611 52.246 53.050 -0.321 0.000 0.867 958 N CB 2.324 40.636 38.487 -0.293 0.000 1.649 958 N HN 1.133 nan 8.380 nan 0.000 0.479 959 I N 0.969 121.475 120.570 -0.106 0.000 2.571 959 I HA 0.727 4.904 4.170 0.011 0.000 0.289 959 I C -1.244 174.798 176.117 -0.125 0.000 1.115 959 I CA 0.055 61.264 61.300 -0.151 0.000 1.045 959 I CB 1.380 39.219 38.000 -0.268 0.000 1.238 959 I HN 1.044 nan 8.210 nan 0.000 0.424 960 S N 6.271 121.909 115.700 -0.104 0.000 2.683 960 S HA 0.512 4.989 4.470 0.011 0.000 0.269 960 S C -0.279 174.214 174.600 -0.179 0.000 1.165 960 S CA -0.950 57.179 58.200 -0.119 0.000 0.840 960 S CB 1.625 64.827 63.200 0.003 0.000 1.169 960 S HN 0.591 nan 8.310 nan 0.000 0.490 961 R N 0.017 120.228 120.500 -0.481 0.000 2.356 961 R HA 0.270 4.616 4.340 0.011 0.000 0.234 961 R C -0.961 175.030 176.300 -0.515 0.000 0.929 961 R CA 0.258 56.056 56.100 -0.503 0.000 1.084 961 R CB -1.067 28.791 30.300 -0.737 0.000 1.105 961 R HN 0.661 nan 8.270 nan 0.000 0.515 962 Y N -0.153 120.149 120.300 0.003 0.000 2.361 962 Y HA 0.264 4.821 4.550 0.011 0.000 0.337 962 Y C 0.644 176.415 175.900 -0.215 0.000 0.965 962 Y CA -1.261 56.774 58.100 -0.108 0.000 1.091 962 Y CB 1.329 39.641 38.460 -0.247 0.000 1.182 962 Y HN -0.114 nan 8.280 nan 0.000 0.450 963 S N 1.714 117.202 115.700 -0.353 0.000 2.603 963 S HA 0.077 4.554 4.470 0.011 0.000 0.268 963 S C 0.887 175.196 174.600 -0.485 0.000 1.317 963 S CA -0.699 56.930 58.200 -0.952 0.000 1.012 963 S CB 1.239 63.628 63.200 -1.352 0.000 0.926 963 S HN 0.734 nan 8.310 nan 0.000 0.539 964 Q N 0.848 120.351 119.800 -0.495 0.000 2.096 964 Q HA -0.208 4.138 4.340 0.011 0.000 0.204 964 Q C 2.220 178.087 176.000 -0.222 0.000 0.982 964 Q CA 2.127 57.767 55.803 -0.271 0.000 0.850 964 Q CB -0.720 27.882 28.738 -0.226 0.000 0.901 964 Q HN 0.973 nan 8.270 nan 0.000 0.422 965 Q N 0.998 120.633 119.800 -0.276 0.000 2.045 965 Q HA -0.240 4.106 4.340 0.011 0.000 0.206 965 Q C 2.110 178.013 176.000 -0.162 0.000 0.991 965 Q CA 2.265 57.961 55.803 -0.178 0.000 0.851 965 Q CB -0.203 28.422 28.738 -0.187 0.000 0.911 965 Q HN 0.420 nan 8.270 nan 0.000 0.418 966 Q N -0.408 119.270 119.800 -0.204 0.000 2.061 966 Q HA -0.196 4.150 4.340 0.011 0.000 0.204 966 Q C 2.148 178.034 176.000 -0.190 0.000 0.984 966 Q CA 1.800 57.493 55.803 -0.183 0.000 0.846 966 Q CB -0.233 28.374 28.738 -0.218 0.000 0.902 966 Q HN 0.537 nan 8.270 nan 0.000 0.421 967 L N 0.129 121.234 121.223 -0.196 0.000 2.013 967 L HA -0.269 4.078 4.340 0.011 0.000 0.212 967 L C 2.768 179.517 176.870 -0.203 0.000 1.073 967 L CA 1.629 56.350 54.840 -0.198 0.000 0.753 967 L CB -0.460 41.511 42.059 -0.147 0.000 0.890 967 L HN 0.459 nan 8.230 nan 0.000 0.432 968 M N -0.455 119.053 119.600 -0.153 0.000 2.202 968 M HA -0.235 4.251 4.480 0.011 0.000 0.262 968 M C 1.699 177.938 176.300 -0.102 0.000 1.063 968 M CA 1.814 57.042 55.300 -0.120 0.000 1.097 968 M CB -0.012 32.532 32.600 -0.093 0.000 1.382 968 M HN 0.256 nan 8.290 nan 0.000 0.413 969 E N -1.017 119.124 120.200 -0.099 0.000 2.474 969 E HA 0.052 4.409 4.350 0.011 0.000 0.194 969 E C -0.190 176.377 176.600 -0.055 0.000 1.041 969 E CA 0.102 56.467 56.400 -0.058 0.000 0.874 969 E CB 0.346 30.017 29.700 -0.048 0.000 0.914 969 E HN 0.351 nan 8.360 nan 0.000 0.498 970 T N 0.685 115.173 114.554 -0.110 0.000 2.767 970 T HA 0.120 4.477 4.350 0.011 0.000 0.284 970 T C 1.034 175.676 174.700 -0.096 0.000 0.973 970 T CA -0.448 61.589 62.100 -0.105 0.000 0.996 970 T CB 1.609 70.374 68.868 -0.170 0.000 0.927 970 T HN 0.032 nan 8.240 nan 0.000 0.456 971 S N 1.467 117.217 115.700 0.083 0.000 2.517 971 S HA 0.134 4.610 4.470 0.011 0.000 0.214 971 S C 0.162 174.916 174.600 0.257 0.000 0.991 971 S CA -0.031 58.323 58.200 0.258 0.000 0.906 971 S CB -0.170 63.326 63.200 0.493 0.000 0.789 971 S HN 0.721 nan 8.310 nan 0.000 0.513 972 H N 1.033 120.161 119.070 0.097 0.000 2.667 972 H HA 0.486 5.049 4.556 0.011 0.000 0.353 972 H C 1.008 176.357 175.328 0.034 0.000 1.072 972 H CA -0.801 55.364 56.048 0.195 0.000 1.214 972 H CB 1.538 31.439 29.762 0.230 0.000 1.600 972 H HN 0.127 nan 8.280 nan 0.000 0.527 973 R N 2.088 122.721 120.500 0.222 0.000 2.117 973 R HA -0.195 4.151 4.340 0.011 0.000 0.243 973 R C 1.211 177.537 176.300 0.044 0.000 1.143 973 R CA 1.974 58.127 56.100 0.089 0.000 0.968 973 R CB -0.505 29.876 30.300 0.136 0.000 0.863 973 R HN 0.777 nan 8.270 nan 0.000 0.444 974 H N 1.116 120.206 119.070 0.032 0.000 2.561 974 H HA 0.035 4.597 4.556 0.011 0.000 0.278 974 H C 1.354 176.604 175.328 -0.131 0.000 1.014 974 H CA 0.716 56.732 56.048 -0.053 0.000 1.211 974 H CB -0.115 29.606 29.762 -0.068 0.000 1.365 974 H HN 0.334 nan 8.280 nan 0.000 0.594 975 L N 0.796 121.632 121.223 -0.644 0.000 2.592 975 L HA 0.223 4.570 4.340 0.011 0.000 0.227 975 L C 0.646 177.357 176.870 -0.265 0.000 1.127 975 L CA -0.117 54.398 54.840 -0.542 0.000 0.884 975 L CB 0.207 41.978 42.059 -0.480 0.000 1.065 975 L HN 0.085 nan 8.230 nan 0.000 0.457 976 L N 1.558 122.626 121.223 -0.258 0.000 2.367 976 L HA 0.148 4.494 4.340 0.011 0.000 0.275 976 L C 0.230 177.049 176.870 -0.085 0.000 1.129 976 L CA -0.075 54.590 54.840 -0.292 0.000 0.839 976 L CB 0.451 42.138 42.059 -0.620 0.000 1.133 976 L HN 0.226 nan 8.230 nan 0.000 0.453 977 H N 2.649 121.734 119.070 0.024 0.000 2.495 977 H HA 0.598 5.161 4.556 0.011 0.000 0.348 977 H C -0.712 174.741 175.328 0.208 0.000 1.113 977 H CA -1.191 54.915 56.048 0.096 0.000 1.195 977 H CB 1.561 31.337 29.762 0.023 0.000 1.521 977 H HN 0.664 nan 8.280 nan 0.000 0.509 978 A N 3.862 126.837 122.820 0.259 0.000 2.488 978 A HA 0.103 4.429 4.320 0.011 0.000 0.249 978 A C 0.277 177.956 177.584 0.157 0.000 1.083 978 A CA -0.285 51.763 52.037 0.018 0.000 0.768 978 A CB -0.016 18.932 19.000 -0.086 0.000 1.017 978 A HN 0.875 nan 8.150 nan 0.000 0.496 979 E N 0.856 121.093 120.200 0.061 0.000 2.314 979 E HA 0.209 4.565 4.350 0.011 0.000 0.262 979 E C 0.002 176.634 176.600 0.053 0.000 1.093 979 E CA -0.618 55.882 56.400 0.166 0.000 0.908 979 E CB 0.783 30.644 29.700 0.269 0.000 1.091 979 E HN 0.801 nan 8.360 nan 0.000 0.425 980 E N 0.760 120.986 120.200 0.042 0.000 2.465 980 E HA 0.144 4.501 4.350 0.011 0.000 0.260 980 E C 0.304 176.855 176.600 -0.082 0.000 0.980 980 E CA 0.544 56.932 56.400 -0.020 0.000 0.927 980 E CB 0.132 29.819 29.700 -0.022 0.000 0.934 980 E HN 0.669 nan 8.360 nan 0.000 0.459 981 G N 3.237 111.992 108.800 -0.074 0.000 2.752 981 G HA2 -0.231 3.736 3.960 0.011 0.000 0.234 981 G HA3 -0.231 3.736 3.960 0.011 0.000 0.234 981 G C -0.538 174.285 174.900 -0.128 0.000 1.367 981 G CA -0.202 44.838 45.100 -0.099 0.000 0.879 981 G HN 0.649 nan 8.290 nan 0.000 0.563 982 T N 0.496 114.970 114.554 -0.134 0.000 2.779 982 T HA 0.499 4.856 4.350 0.011 0.000 0.280 982 T C -0.486 174.053 174.700 -0.268 0.000 0.987 982 T CA -0.031 61.988 62.100 -0.135 0.000 0.966 982 T CB 1.142 70.028 68.868 0.030 0.000 0.933 982 T HN 0.518 nan 8.240 nan 0.000 0.442 983 W N 3.368 124.581 121.300 -0.144 0.000 2.335 983 W HA 0.564 5.231 4.660 0.011 0.000 0.306 983 W C -0.277 176.118 176.519 -0.206 0.000 1.216 983 W CA -0.762 56.495 57.345 -0.147 0.000 1.237 983 W CB 0.705 30.090 29.460 -0.126 0.000 1.243 983 W HN 0.369 nan 8.180 nan 0.000 0.493 984 L N 5.807 127.048 121.223 0.030 0.000 2.305 984 L HA 0.490 4.837 4.340 0.011 0.000 0.284 984 L C -0.885 175.908 176.870 -0.127 0.000 1.013 984 L CA -0.379 54.356 54.840 -0.175 0.000 0.819 984 L CB 0.719 42.515 42.059 -0.439 0.000 1.227 984 L HN 0.309 nan 8.230 nan 0.000 0.417 985 N N 7.097 125.702 118.700 -0.158 0.000 2.479 985 N HA 0.456 5.203 4.740 0.011 0.000 0.261 985 N C -1.219 174.163 175.510 -0.214 0.000 0.979 985 N CA -0.241 52.712 53.050 -0.162 0.000 0.930 985 N CB 2.104 40.518 38.487 -0.123 0.000 1.172 985 N HN 0.531 nan 8.380 nan 0.000 0.499 986 I N 1.897 122.296 120.570 -0.285 0.000 2.382 986 I HA 0.259 4.436 4.170 0.011 0.000 0.286 986 I C -0.573 175.360 176.117 -0.307 0.000 1.002 986 I CA -0.556 60.539 61.300 -0.341 0.000 1.135 986 I CB 1.671 39.301 38.000 -0.616 0.000 1.288 986 I HN 0.165 nan 8.210 nan 0.000 0.448 987 D N 4.440 124.695 120.400 -0.240 0.000 2.185 987 D HA 0.292 4.939 4.640 0.011 0.000 0.247 987 D C 0.918 176.905 176.300 -0.522 0.000 1.027 987 D CA -0.258 53.530 54.000 -0.353 0.000 0.861 987 D CB 2.718 43.412 40.800 -0.177 0.000 1.202 987 D HN 0.695 nan 8.370 nan 0.000 0.453 988 G N 0.914 109.088 108.800 -1.044 0.000 2.426 988 G HA2 0.024 3.991 3.960 0.011 0.000 0.214 988 G HA3 0.024 3.991 3.960 0.011 0.000 0.214 988 G C 0.102 174.184 174.900 -1.363 0.000 1.156 988 G CA 0.437 44.711 45.100 -1.375 0.000 0.802 988 G HN 0.371 nan 8.290 nan 0.000 0.534 989 F N -1.776 117.965 119.950 -0.347 0.000 2.578 989 F HA 0.617 5.151 4.527 0.011 0.000 0.311 989 F C -0.591 175.103 175.800 -0.177 0.000 1.094 989 F CA -1.151 56.724 58.000 -0.208 0.000 0.923 989 F CB 2.192 40.997 39.000 -0.325 0.000 1.230 989 F HN 0.034 nan 8.300 nan 0.000 0.450 990 H N 2.085 121.158 119.070 0.005 0.000 2.966 990 H HA 0.441 5.003 4.556 0.011 0.000 0.347 990 H C -0.675 174.681 175.328 0.047 0.000 1.048 990 H CA -0.797 55.235 56.048 -0.026 0.000 1.295 990 H CB 1.618 31.349 29.762 -0.051 0.000 1.744 990 H HN 0.792 nan 8.280 nan 0.000 0.513 991 M N 3.293 122.876 119.600 -0.028 0.000 2.252 991 M HA 0.170 4.657 4.480 0.011 0.000 0.321 991 M C 0.603 177.027 176.300 0.206 0.000 1.070 991 M CA 0.786 56.118 55.300 0.054 0.000 1.143 991 M CB 0.264 32.797 32.600 -0.113 0.000 1.498 991 M HN 0.846 nan 8.290 nan 0.000 0.445 992 G N 2.880 111.777 108.800 0.161 0.000 2.636 992 G HA2 0.338 4.305 3.960 0.011 0.000 0.246 992 G HA3 0.338 4.305 3.960 0.011 0.000 0.246 992 G C 0.605 175.493 174.900 -0.020 0.000 1.216 992 G CA -0.487 44.652 45.100 0.064 0.000 0.854 992 G HN 0.976 nan 8.290 nan 0.000 0.572 993 I N -1.130 119.382 120.570 -0.097 0.000 3.427 993 I HA 0.395 4.571 4.170 0.011 0.000 0.288 993 I C 1.211 177.267 176.117 -0.103 0.000 1.249 993 I CA 0.420 61.623 61.300 -0.162 0.000 1.421 993 I CB -0.589 37.210 38.000 -0.335 0.000 1.086 993 I HN 0.909 nan 8.210 nan 0.000 0.448 994 G N 1.446 110.203 108.800 -0.070 0.000 2.645 994 G HA2 0.035 4.001 3.960 0.011 0.000 0.239 994 G HA3 0.035 4.001 3.960 0.011 0.000 0.239 994 G C 0.530 175.430 174.900 0.001 0.000 1.331 994 G CA 0.088 45.180 45.100 -0.013 0.000 0.890 994 G HN 1.298 nan 8.290 nan 0.000 0.572 995 G N -2.519 106.294 108.800 0.021 0.000 2.935 995 G HA2 0.015 3.982 3.960 0.011 0.000 0.213 995 G HA3 0.015 3.982 3.960 0.011 0.000 0.213 995 G C 0.717 175.673 174.900 0.093 0.000 0.984 995 G CA 0.867 45.996 45.100 0.049 0.000 0.790 995 G HN 1.011 nan 8.290 nan 0.000 0.538 996 D N 1.303 121.774 120.400 0.119 0.000 2.191 996 D HA 0.044 4.691 4.640 0.011 0.000 0.195 996 D C 1.018 177.352 176.300 0.057 0.000 1.003 996 D CA 2.238 56.363 54.000 0.209 0.000 0.867 996 D CB 0.058 40.994 40.800 0.226 0.000 0.926 996 D HN 0.811 nan 8.370 nan 0.000 0.450 997 D N -3.531 116.686 120.400 -0.306 0.000 2.615 997 D HA 0.344 4.990 4.640 0.011 0.000 0.267 997 D C -0.672 175.118 176.300 -0.851 0.000 1.236 997 D CA -0.722 52.657 54.000 -1.035 0.000 0.839 997 D CB 0.957 40.572 40.800 -1.975 0.000 1.380 997 D HN -0.288 nan 8.370 nan 0.000 0.433 998 S N -0.577 114.462 115.700 -1.102 0.000 2.602 998 S HA 0.215 4.692 4.470 0.011 0.000 0.240 998 S C -0.379 174.184 174.600 -0.063 0.000 0.992 998 S CA -0.594 57.432 58.200 -0.290 0.000 0.971 998 S CB -0.376 62.891 63.200 0.113 0.000 0.855 998 S HN 0.615 nan 8.310 nan 0.000 0.481 999 W N 1.555 122.749 121.300 -0.177 0.000 2.467 999 W HA 0.590 5.256 4.660 0.010 0.000 0.369 999 W C -0.053 176.392 176.519 -0.124 0.000 0.938 999 W CA -0.606 56.634 57.345 -0.175 0.000 1.845 999 W CB -0.452 28.850 29.460 -0.263 0.000 1.167 999 W HN 0.141 nan 8.180 nan 0.000 0.558 1000 S N -1.051 114.490 115.700 -0.265 0.000 2.552 1000 S HA 0.565 5.041 4.470 0.011 0.000 0.272 1000 S C -3.133 171.384 174.600 -0.139 0.000 1.150 1000 S CA -1.574 56.531 58.200 -0.157 0.000 0.849 1000 S CB 1.524 64.647 63.200 -0.129 0.000 1.113 1000 S HN -0.187 nan 8.310 nan 0.000 0.458 1001 P HA 0.191 nan 4.420 nan 0.000 0.263 1001 P C 0.365 177.697 177.300 0.053 0.000 1.195 1001 P CA 0.012 63.116 63.100 0.007 0.000 0.762 1001 P CB 0.574 32.169 31.700 -0.176 0.000 0.799 1002 S N 0.661 116.428 115.700 0.112 0.000 2.937 1002 S HA 0.183 4.659 4.470 0.011 0.000 0.252 1002 S C 0.117 174.793 174.600 0.126 0.000 1.022 1002 S CA -0.398 57.846 58.200 0.074 0.000 1.079 1002 S CB -0.343 62.850 63.200 -0.011 0.000 1.035 1002 S HN 0.114 nan 8.310 nan 0.000 0.594 1003 V N 2.479 122.515 119.914 0.203 0.000 2.461 1003 V HA 0.421 4.547 4.120 0.011 0.000 0.275 1003 V C 0.765 177.000 176.094 0.234 0.000 1.047 1003 V CA -0.369 62.029 62.300 0.164 0.000 0.955 1003 V CB 1.272 33.136 31.823 0.068 0.000 0.988 1003 V HN 0.513 nan 8.190 nan 0.000 0.471 1004 S N 3.651 119.508 115.700 0.262 0.000 2.562 1004 S HA 0.310 4.787 4.470 0.011 0.000 0.281 1004 S C 1.523 176.291 174.600 0.281 0.000 1.333 1004 S CA 0.079 58.449 58.200 0.284 0.000 1.052 1004 S CB 1.155 64.556 63.200 0.335 0.000 0.884 1004 S HN 0.996 nan 8.310 nan 0.000 0.506 1005 A N 3.836 126.771 122.820 0.192 0.000 1.927 1005 A HA -0.179 4.147 4.320 0.011 0.000 0.220 1005 A C 2.012 179.641 177.584 0.074 0.000 1.185 1005 A CA 1.999 54.129 52.037 0.155 0.000 0.639 1005 A CB -0.728 18.337 19.000 0.108 0.000 0.820 1005 A HN 0.961 nan 8.150 nan 0.000 0.451 1006 E N -0.727 119.454 120.200 -0.032 0.000 2.401 1006 E HA -0.154 4.202 4.350 0.011 0.000 0.199 1006 E C 0.759 177.084 176.600 -0.458 0.000 1.023 1006 E CA 0.917 57.151 56.400 -0.277 0.000 0.859 1006 E CB -0.513 28.909 29.700 -0.463 0.000 0.780 1006 E HN 0.685 nan 8.360 nan 0.000 0.523 1007 F N 1.093 121.094 119.950 0.085 0.000 2.653 1007 F HA 0.277 4.810 4.527 0.010 0.000 0.304 1007 F C 0.776 176.614 175.800 0.064 0.000 1.092 1007 F CA -0.466 57.584 58.000 0.083 0.000 1.279 1007 F CB 0.456 39.505 39.000 0.082 0.000 1.044 1007 F HN -0.192 nan 8.300 nan 0.000 0.564 1008 Q N 1.154 121.062 119.800 0.180 0.000 2.235 1008 Q HA 0.396 4.743 4.340 0.011 0.000 0.250 1008 Q C -0.106 175.929 176.000 0.058 0.000 0.909 1008 Q CA -0.530 55.358 55.803 0.142 0.000 0.910 1008 Q CB 1.927 30.847 28.738 0.304 0.000 1.223 1008 Q HN 0.247 nan 8.270 nan 0.000 0.432 1009 L N 2.594 123.833 121.223 0.026 0.000 2.391 1009 L HA 0.058 4.405 4.340 0.011 0.000 0.249 1009 L C 0.739 177.573 176.870 -0.059 0.000 1.308 1009 L CA 0.026 54.861 54.840 -0.009 0.000 1.209 1009 L CB -0.512 41.429 42.059 -0.196 0.000 1.401 1009 L HN 0.725 nan 8.230 nan 0.000 0.416 1010 S N -1.108 114.475 115.700 -0.195 0.000 2.539 1010 S HA 0.104 4.581 4.470 0.011 0.000 0.221 1010 S C 1.770 176.281 174.600 -0.148 0.000 0.987 1010 S CA 0.211 58.116 58.200 -0.493 0.000 0.929 1010 S CB 0.614 63.390 63.200 -0.706 0.000 0.832 1010 S HN 0.507 nan 8.310 nan 0.000 0.492 1011 A N 1.576 124.342 122.820 -0.090 0.000 2.186 1011 A HA 0.355 4.681 4.320 0.011 0.000 0.219 1011 A C 2.199 179.629 177.584 -0.257 0.000 1.159 1011 A CA 1.261 53.126 52.037 -0.286 0.000 0.680 1011 A CB -1.530 17.062 19.000 -0.680 0.000 0.787 1011 A HN 1.481 nan 8.150 nan 0.000 0.467 1012 G N -1.297 107.459 108.800 -0.072 0.000 2.480 1012 G HA2 -0.355 3.612 3.960 0.011 0.000 0.246 1012 G HA3 -0.355 3.612 3.960 0.011 0.000 0.246 1012 G C 0.479 175.364 174.900 -0.025 0.000 1.073 1012 G CA 0.866 45.974 45.100 0.014 0.000 0.643 1012 G HN 0.739 nan 8.290 nan 0.000 0.525 1013 R N -0.764 119.586 120.500 -0.251 0.000 2.532 1013 R HA 0.651 4.997 4.340 0.011 0.000 0.297 1013 R C -1.517 174.528 176.300 -0.425 0.000 0.984 1013 R CA -0.637 55.365 56.100 -0.163 0.000 0.884 1013 R CB 1.434 31.682 30.300 -0.087 0.000 1.182 1013 R HN 0.222 nan 8.270 nan 0.000 0.442 1014 Y N 0.483 120.784 120.300 0.001 0.000 2.462 1014 Y HA 0.363 4.920 4.550 0.011 0.000 0.346 1014 Y C -0.287 175.770 175.900 0.260 0.000 0.976 1014 Y CA -0.847 57.230 58.100 -0.038 0.000 1.044 1014 Y CB 2.099 40.402 38.460 -0.262 0.000 1.230 1014 Y HN 0.565 nan 8.280 nan 0.000 0.455 1015 H N 2.970 122.300 119.070 0.433 0.000 2.589 1015 H HA 0.590 5.152 4.556 0.011 0.000 0.351 1015 H C -1.702 174.009 175.328 0.639 0.000 1.074 1015 H CA -0.946 55.346 56.048 0.407 0.000 1.203 1015 H CB 1.113 31.008 29.762 0.221 0.000 1.558 1015 H HN 0.590 nan 8.280 nan 0.000 0.522 1016 Y N 1.646 121.745 120.300 -0.335 0.000 2.609 1016 Y HA 0.492 5.049 4.550 0.011 0.000 0.336 1016 Y C -2.077 173.622 175.900 -0.335 0.000 1.129 1016 Y CA -1.079 56.882 58.100 -0.231 0.000 1.040 1016 Y CB 1.422 39.832 38.460 -0.083 0.000 1.310 1016 Y HN 0.693 nan 8.280 nan 0.000 0.460 1017 Q N 3.429 123.171 119.800 -0.096 0.000 2.345 1017 Q HA 0.790 5.137 4.340 0.011 0.000 0.275 1017 Q C -1.958 174.111 176.000 0.114 0.000 1.063 1017 Q CA -1.061 54.700 55.803 -0.070 0.000 0.819 1017 Q CB 3.338 32.083 28.738 0.011 0.000 1.356 1017 Q HN 0.815 nan 8.270 nan 0.000 0.418 1018 L N 0.710 121.990 121.223 0.094 0.000 2.376 1018 L HA 0.758 5.104 4.340 0.011 0.000 0.258 1018 L C -0.959 176.012 176.870 0.168 0.000 1.013 1018 L CA -1.306 53.628 54.840 0.156 0.000 0.822 1018 L CB 2.617 44.745 42.059 0.114 0.000 1.388 1018 L HN 0.414 nan 8.230 nan 0.000 0.413 1019 V N 0.466 120.506 119.914 0.210 0.000 2.444 1019 V HA 0.403 4.530 4.120 0.011 0.000 0.294 1019 V C -1.255 174.996 176.094 0.261 0.000 1.022 1019 V CA -0.414 62.019 62.300 0.222 0.000 0.850 1019 V CB 1.985 33.917 31.823 0.181 0.000 0.992 1019 V HN 0.600 nan 8.190 nan 0.000 0.426 1020 W N 6.823 128.162 121.300 0.065 0.000 2.529 1020 W HA 0.752 5.418 4.660 0.011 0.000 0.321 1020 W C -0.249 176.255 176.519 -0.024 0.000 1.047 1020 W CA -1.093 56.195 57.345 -0.095 0.000 1.216 1020 W CB 1.554 31.007 29.460 -0.012 0.000 1.357 1020 W HN 0.902 nan 8.180 nan 0.000 0.489 1021 C N 4.064 123.634 119.300 0.450 0.000 3.336 1021 C HA 0.653 5.120 4.460 0.011 0.000 0.339 1021 C C -0.588 174.521 174.990 0.197 0.000 1.468 1021 C CA -0.844 58.340 59.018 0.277 0.000 1.287 1021 C CB 1.473 29.317 27.740 0.173 0.000 1.682 1021 C HN 0.744 nan 8.230 nan 0.000 0.451 1022 Q N 1.697 121.559 119.800 0.104 0.000 2.230 1022 Q HA 0.576 4.923 4.340 0.011 0.000 0.253 1022 Q C -0.615 175.388 176.000 0.004 0.000 0.919 1022 Q CA 0.153 55.969 55.803 0.022 0.000 0.908 1022 Q CB 1.039 29.762 28.738 -0.025 0.000 1.245 1022 Q HN 0.852 nan 8.270 nan 0.000 0.437 1023 K N 0.000 120.381 120.400 -0.032 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.011 0.000 0.191 1023 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 1023 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543