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 3iap_1_B 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 ANIQTHGMVP 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 0.000 176.084 176.300 -0.361 0.000 0.893 13 R CA 0.000 55.959 56.100 -0.235 0.000 0.921 13 R CB 0.000 30.163 30.300 -0.228 0.000 0.687 14 R N 1.971 122.151 120.500 -0.533 0.000 3.127 14 R HA -0.158 4.183 4.340 0.001 0.000 0.247 14 R C -0.251 175.475 176.300 -0.957 0.000 0.896 14 R CA 0.836 56.228 56.100 -1.180 0.000 0.624 14 R CB -1.213 28.533 30.300 -0.923 0.000 1.154 14 R HN 0.268 nan 8.270 nan 0.000 0.474 15 D N -0.060 119.975 120.400 -0.609 0.000 2.263 15 D HA -0.166 4.474 4.640 0.001 0.000 0.208 15 D C 1.609 177.773 176.300 -0.225 0.000 0.971 15 D CA 1.608 55.342 54.000 -0.444 0.000 0.867 15 D CB -0.097 40.289 40.800 -0.690 0.000 0.929 15 D HN 0.734 nan 8.370 nan 0.000 0.492 16 W N 1.326 122.603 121.300 -0.038 0.000 3.204 16 W HA 0.188 4.849 4.660 0.001 0.000 0.249 16 W C 0.587 177.180 176.519 0.123 0.000 1.322 16 W CA -0.215 57.230 57.345 0.167 0.000 1.593 16 W CB -0.222 29.389 29.460 0.251 0.000 1.122 16 W HN -0.193 nan 8.180 nan 0.000 0.710 17 E N 0.970 121.011 120.200 -0.265 0.000 2.995 17 E HA 0.046 4.396 4.350 0.001 0.000 0.203 17 E C -0.710 175.694 176.600 -0.326 0.000 0.980 17 E CA -0.199 56.052 56.400 -0.248 0.000 1.172 17 E CB -0.153 29.332 29.700 -0.358 0.000 1.088 17 E HN 0.017 nan 8.360 nan 0.000 0.463 18 N N 1.117 119.679 118.700 -0.230 0.000 2.558 18 N HA 0.142 4.882 4.740 0.001 0.000 0.285 18 N C -2.280 173.081 175.510 -0.247 0.000 1.112 18 N CA -1.959 50.928 53.050 -0.272 0.000 0.857 18 N CB 1.651 39.983 38.487 -0.259 0.000 1.376 18 N HN -0.175 nan 8.380 nan 0.000 0.526 19 P HA 0.063 nan 4.420 nan 0.000 0.226 19 P C 1.071 178.129 177.300 -0.403 0.000 1.153 19 P CA 0.568 63.325 63.100 -0.571 0.000 0.777 19 P CB 0.232 31.129 31.700 -1.339 0.000 0.794 20 G N -0.082 108.526 108.800 -0.319 0.000 2.572 20 G HA2 0.013 3.974 3.960 0.001 0.000 0.216 20 G HA3 0.013 3.974 3.960 0.001 0.000 0.216 20 G C 0.431 175.251 174.900 -0.134 0.000 1.133 20 G CA 0.212 45.181 45.100 -0.218 0.000 0.791 20 G HN 0.213 nan 8.290 nan 0.000 0.538 21 V N 1.752 121.601 119.914 -0.108 0.000 2.304 21 V HA 0.292 4.412 4.120 0.001 0.000 0.278 21 V C 0.929 177.075 176.094 0.086 0.000 1.018 21 V CA 0.195 62.483 62.300 -0.019 0.000 0.814 21 V CB 1.027 32.818 31.823 -0.054 0.000 1.021 21 V HN 0.340 nan 8.190 nan 0.000 0.440 22 T N 0.754 115.357 114.554 0.081 0.000 2.990 22 T HA 0.290 4.641 4.350 0.001 0.000 0.250 22 T C 0.352 175.099 174.700 0.079 0.000 1.041 22 T CA 0.127 62.281 62.100 0.089 0.000 1.010 22 T CB 0.331 69.207 68.868 0.013 0.000 1.003 22 T HN 0.657 nan 8.240 nan 0.000 0.499 23 Q N 0.363 120.245 119.800 0.137 0.000 2.522 23 Q HA 0.696 5.037 4.340 0.001 0.000 0.285 23 Q C -2.116 174.016 176.000 0.220 0.000 0.982 23 Q CA -1.031 54.849 55.803 0.129 0.000 0.805 23 Q CB 1.189 29.929 28.738 0.002 0.000 1.457 23 Q HN 0.239 nan 8.270 nan 0.000 0.394 24 L N 2.077 123.466 121.223 0.277 0.000 2.406 24 L HA 0.591 4.932 4.340 0.001 0.000 0.272 24 L C -0.570 176.434 176.870 0.224 0.000 0.980 24 L CA -0.902 54.103 54.840 0.275 0.000 0.831 24 L CB 1.774 44.105 42.059 0.454 0.000 1.253 24 L HN 0.850 nan 8.230 nan 0.000 0.406 25 N N 1.036 119.835 118.700 0.165 0.000 2.741 25 N HA -0.206 4.535 4.740 0.001 0.000 0.251 25 N C 0.182 175.789 175.510 0.162 0.000 1.112 25 N CA 0.769 53.906 53.050 0.144 0.000 0.750 25 N CB -0.785 37.745 38.487 0.072 0.000 1.119 25 N HN 0.654 nan 8.380 nan 0.000 0.561 26 R N 0.835 121.348 120.500 0.021 0.000 2.438 26 R HA 0.380 4.721 4.340 0.001 0.000 0.287 26 R C 0.617 176.799 176.300 -0.196 0.000 1.077 26 R CA -0.311 55.593 56.100 -0.327 0.000 1.034 26 R CB 0.538 30.631 30.300 -0.345 0.000 0.993 26 R HN 0.132 nan 8.270 nan 0.000 0.459 27 L N 2.895 123.975 121.223 -0.238 0.000 2.472 27 L HA 0.285 4.625 4.340 0.001 0.000 0.260 27 L C 0.630 177.457 176.870 -0.071 0.000 1.209 27 L CA -0.499 54.285 54.840 -0.094 0.000 0.817 27 L CB 0.735 42.767 42.059 -0.045 0.000 1.106 27 L HN 0.765 nan 8.230 nan 0.000 0.479 28 A N 1.333 124.151 122.820 -0.004 0.000 2.483 28 A HA 0.477 4.797 4.320 0.001 0.000 0.238 28 A C 0.295 177.901 177.584 0.037 0.000 1.070 28 A CA -0.000 52.044 52.037 0.012 0.000 0.770 28 A CB 0.148 19.174 19.000 0.043 0.000 1.008 28 A HN 0.784 nan 8.150 nan 0.000 0.497 29 A N 1.529 124.324 122.820 -0.043 0.000 2.366 29 A HA 0.667 4.988 4.320 0.001 0.000 0.249 29 A C 0.102 177.629 177.584 -0.095 0.000 1.084 29 A CA 0.503 52.449 52.037 -0.153 0.000 0.794 29 A CB -0.078 18.822 19.000 -0.166 0.000 1.034 29 A HN 1.932 nan 8.150 nan 0.000 0.491 30 H N -2.353 116.576 119.070 -0.235 0.000 2.987 30 H HA 0.601 5.158 4.556 0.001 0.000 0.316 30 H C -3.432 171.616 175.328 -0.467 0.000 1.380 30 H CA -1.814 54.021 56.048 -0.355 0.000 1.160 30 H CB 0.069 29.516 29.762 -0.525 0.000 1.865 30 H HN 0.373 nan 8.280 nan 0.000 0.521 31 P HA 0.176 nan 4.420 nan 0.000 0.272 31 P C -2.558 174.535 177.300 -0.346 0.000 1.230 31 P CA -1.212 61.661 63.100 -0.377 0.000 0.788 31 P CB -0.188 31.204 31.700 -0.513 0.000 0.949 32 P HA -0.008 nan 4.420 nan 0.000 0.258 32 P C -0.808 176.648 177.300 0.259 0.000 1.172 32 P CA 1.062 64.174 63.100 0.020 0.000 0.762 32 P CB -0.159 31.606 31.700 0.108 0.000 0.764 33 F N 2.047 122.097 119.950 0.167 0.000 2.483 33 F HA 0.611 5.139 4.527 0.001 0.000 0.329 33 F C 1.087 176.816 175.800 -0.117 0.000 1.064 33 F CA -1.379 56.663 58.000 0.071 0.000 0.986 33 F CB 1.178 40.189 39.000 0.019 0.000 1.218 33 F HN 0.307 nan 8.300 nan 0.000 0.484 34 A N 0.133 122.867 122.820 -0.143 0.000 2.530 34 A HA 0.299 4.620 4.320 0.001 0.000 0.214 34 A C 0.673 177.928 177.584 -0.549 0.000 1.352 34 A CA 0.606 52.300 52.037 -0.570 0.000 1.035 34 A CB -0.370 17.766 19.000 -1.440 0.000 1.296 34 A HN 0.816 nan 8.150 nan 0.000 0.563 35 S N 0.645 116.141 115.700 -0.340 0.000 3.447 35 S HA -0.149 4.321 4.470 0.001 0.000 0.371 35 S C -0.060 174.451 174.600 -0.149 0.000 0.951 35 S CA 0.385 58.458 58.200 -0.212 0.000 1.269 35 S CB -1.583 61.505 63.200 -0.188 0.000 0.919 35 S HN 0.445 nan 8.310 nan 0.000 0.516 36 W N 2.213 123.498 121.300 -0.025 0.000 2.193 36 W HA 0.202 4.863 4.660 0.001 0.000 0.338 36 W C 1.343 177.842 176.519 -0.033 0.000 1.310 36 W CA -0.540 56.792 57.345 -0.020 0.000 1.243 36 W CB 0.209 29.658 29.460 -0.019 0.000 1.165 36 W HN 0.379 nan 8.180 nan 0.000 0.566 37 R N 2.020 122.639 120.500 0.198 0.000 2.546 37 R HA 0.078 4.419 4.340 0.001 0.000 0.320 37 R C -0.017 176.338 176.300 0.091 0.000 1.021 37 R CA -0.112 56.050 56.100 0.103 0.000 1.088 37 R CB -0.182 30.149 30.300 0.052 0.000 1.278 37 R HN 0.358 nan 8.270 nan 0.000 0.557 38 N N 0.088 118.859 118.700 0.118 0.000 2.454 38 N HA 0.115 4.855 4.740 0.001 0.000 0.291 38 N C -0.120 175.370 175.510 -0.034 0.000 1.079 38 N CA -0.008 53.065 53.050 0.038 0.000 0.893 38 N CB 1.825 40.334 38.487 0.038 0.000 1.512 38 N HN -0.256 nan 8.380 nan 0.000 0.497 39 S N 2.358 118.018 115.700 -0.067 0.000 2.382 39 S HA -0.153 4.318 4.470 0.001 0.000 0.228 39 S C 1.402 175.850 174.600 -0.254 0.000 1.027 39 S CA 1.102 59.225 58.200 -0.129 0.000 0.991 39 S CB 0.018 63.172 63.200 -0.076 0.000 0.823 39 S HN 0.745 nan 8.310 nan 0.000 0.469 40 E N 1.643 121.707 120.200 -0.227 0.000 2.106 40 E HA -0.121 4.230 4.350 0.001 0.000 0.192 40 E C 1.835 178.222 176.600 -0.356 0.000 0.984 40 E CA 1.204 57.428 56.400 -0.292 0.000 0.806 40 E CB -0.171 29.410 29.700 -0.199 0.000 0.750 40 E HN 0.549 nan 8.360 nan 0.000 0.458 41 E N -0.360 119.640 120.200 -0.334 0.000 2.110 41 E HA -0.170 4.181 4.350 0.001 0.000 0.193 41 E C 1.958 177.935 176.600 -1.038 0.000 0.988 41 E CA 0.874 57.013 56.400 -0.434 0.000 0.804 41 E CB -0.151 29.452 29.700 -0.163 0.000 0.745 41 E HN 0.390 nan 8.360 nan 0.000 0.458 42 A N 1.447 123.519 122.820 -1.247 0.000 1.898 42 A HA -0.179 4.141 4.320 0.001 0.000 0.216 42 A C 2.088 179.118 177.584 -0.923 0.000 1.181 42 A CA 1.288 52.353 52.037 -1.620 0.000 0.620 42 A CB -0.387 18.146 19.000 -0.778 0.000 0.819 42 A HN 0.067 nan 8.150 nan 0.000 0.442 43 R N -0.191 119.922 120.500 -0.645 0.000 2.081 43 R HA -0.135 4.205 4.340 0.001 0.000 0.235 43 R C 2.009 178.036 176.300 -0.455 0.000 1.131 43 R CA 2.117 57.871 56.100 -0.577 0.000 0.960 43 R CB -0.416 29.400 30.300 -0.806 0.000 0.856 43 R HN 0.628 nan 8.270 nan 0.000 0.436 44 T N -2.827 111.473 114.554 -0.423 0.000 3.107 44 T HA 0.036 4.387 4.350 0.001 0.000 0.249 44 T C 0.308 174.897 174.700 -0.184 0.000 1.096 44 T CA 0.503 62.443 62.100 -0.268 0.000 1.012 44 T CB 0.087 68.824 68.868 -0.218 0.000 0.977 44 T HN 0.358 nan 8.240 nan 0.000 0.527 45 D N 0.984 121.225 120.400 -0.264 0.000 2.800 45 D HA -0.162 4.479 4.640 0.001 0.000 0.232 45 D C -0.089 176.290 176.300 0.131 0.000 1.137 45 D CA 0.387 54.361 54.000 -0.042 0.000 0.718 45 D CB -1.129 39.706 40.800 0.060 0.000 1.084 45 D HN 0.574 nan 8.370 nan 0.000 0.432 46 R N 0.092 120.638 120.500 0.077 0.000 2.615 46 R HA 0.432 4.772 4.340 0.001 0.000 0.270 46 R C -2.073 174.462 176.300 0.392 0.000 1.081 46 R CA -1.344 54.859 56.100 0.173 0.000 1.154 46 R CB 0.190 30.539 30.300 0.082 0.000 1.063 46 R HN 0.096 nan 8.270 nan 0.000 0.519 47 P HA -0.070 nan 4.420 nan 0.000 0.266 47 P C -0.695 176.765 177.300 0.267 0.000 1.193 47 P CA 0.324 63.567 63.100 0.237 0.000 0.770 47 P CB 0.649 32.438 31.700 0.147 0.000 0.836 48 S N 1.446 117.202 115.700 0.094 0.000 2.454 48 S HA 0.142 4.612 4.470 0.001 0.000 0.306 48 S C 0.874 175.488 174.600 0.024 0.000 1.100 48 S CA -0.534 57.647 58.200 -0.033 0.000 1.087 48 S CB 0.529 63.401 63.200 -0.546 0.000 1.019 48 S HN 0.227 nan 8.310 nan 0.000 0.480 49 Q N 2.658 122.504 119.800 0.076 0.000 2.369 49 Q HA -0.014 4.327 4.340 0.001 0.000 0.206 49 Q C 1.052 177.167 176.000 0.192 0.000 0.963 49 Q CA 1.176 57.060 55.803 0.135 0.000 0.894 49 Q CB -0.065 28.755 28.738 0.136 0.000 0.965 49 Q HN 0.711 nan 8.270 nan 0.000 0.475 50 Q N -0.456 119.365 119.800 0.036 0.000 2.425 50 Q HA 0.082 4.422 4.340 0.001 0.000 0.204 50 Q C -0.099 175.929 176.000 0.046 0.000 0.933 50 Q CA 0.165 55.919 55.803 -0.083 0.000 0.939 50 Q CB 0.364 28.985 28.738 -0.194 0.000 1.044 50 Q HN 0.050 nan 8.270 nan 0.000 0.513 51 L N 0.934 122.201 121.223 0.073 0.000 2.324 51 L HA 0.392 4.732 4.340 0.001 0.000 0.274 51 L C -1.011 175.946 176.870 0.145 0.000 1.012 51 L CA -0.472 54.423 54.840 0.093 0.000 0.859 51 L CB 0.994 43.030 42.059 -0.039 0.000 1.224 51 L HN -0.121 nan 8.230 nan 0.000 0.429 52 R N 3.153 123.778 120.500 0.208 0.000 2.338 52 R HA 0.501 4.841 4.340 0.001 0.000 0.317 52 R C -0.660 175.660 176.300 0.034 0.000 0.968 52 R CA -0.341 55.827 56.100 0.113 0.000 0.849 52 R CB 1.489 31.825 30.300 0.061 0.000 1.128 52 R HN 0.686 nan 8.270 nan 0.000 0.448 53 S N 4.227 119.938 115.700 0.018 0.000 2.505 53 S HA 0.189 4.659 4.470 0.001 0.000 0.276 53 S C 0.815 175.406 174.600 -0.015 0.000 1.274 53 S CA -0.542 57.658 58.200 -0.000 0.000 1.053 53 S CB 0.501 63.712 63.200 0.018 0.000 0.919 53 S HN 0.691 nan 8.310 nan 0.000 0.490 54 L N 4.005 125.213 121.223 -0.024 0.000 2.741 54 L HA 0.261 4.601 4.340 0.001 0.000 0.237 54 L C 0.205 177.201 176.870 0.210 0.000 1.178 54 L CA -0.366 54.480 54.840 0.011 0.000 0.973 54 L CB -0.386 41.622 42.059 -0.084 0.000 1.255 54 L HN 0.515 nan 8.230 nan 0.000 0.498 55 N N 1.248 120.021 118.700 0.122 0.000 2.479 55 N HA 0.457 5.198 4.740 0.001 0.000 0.257 55 N C 0.660 176.278 175.510 0.179 0.000 1.232 55 N CA 0.955 54.082 53.050 0.128 0.000 0.920 55 N CB 1.389 39.898 38.487 0.037 0.000 1.105 55 N HN 0.313 nan 8.380 nan 0.000 0.444 56 G N 0.872 109.802 108.800 0.217 0.000 2.295 56 G HA2 -0.085 3.876 3.960 0.001 0.000 0.155 56 G HA3 -0.085 3.876 3.960 0.001 0.000 0.155 56 G C -1.513 173.576 174.900 0.314 0.000 1.307 56 G CA -0.764 44.460 45.100 0.207 0.000 1.140 56 G HN 0.464 nan 8.290 nan 0.000 0.470 57 E N 0.285 120.651 120.200 0.276 0.000 2.152 57 E HA 0.447 4.798 4.350 0.001 0.000 0.285 57 E C -1.014 175.823 176.600 0.396 0.000 1.043 57 E CA -0.168 56.404 56.400 0.287 0.000 0.839 57 E CB 1.059 30.856 29.700 0.161 0.000 1.069 57 E HN 0.335 nan 8.360 nan 0.000 0.399 58 W N 1.714 123.104 121.300 0.150 0.000 2.804 58 W HA 0.389 5.050 4.660 0.001 0.000 0.352 58 W C 0.287 176.934 176.519 0.213 0.000 1.153 58 W CA -0.736 56.731 57.345 0.203 0.000 1.119 58 W CB 0.777 30.415 29.460 0.297 0.000 1.448 58 W HN 0.181 nan 8.180 nan 0.000 0.600 59 R N 1.433 122.212 120.500 0.466 0.000 2.474 59 R HA 0.571 4.911 4.340 0.001 0.000 0.295 59 R C -1.502 175.044 176.300 0.410 0.000 0.980 59 R CA -0.897 55.416 56.100 0.354 0.000 0.934 59 R CB 1.252 31.701 30.300 0.250 0.000 1.101 59 R HN 0.467 nan 8.270 nan 0.000 0.469 60 F N 0.484 120.475 119.950 0.068 0.000 2.574 60 F HA 0.600 5.128 4.527 0.001 0.000 0.313 60 F C -1.468 174.188 175.800 -0.241 0.000 1.130 60 F CA -0.616 57.275 58.000 -0.181 0.000 0.936 60 F CB 1.941 40.738 39.000 -0.339 0.000 1.219 60 F HN 0.607 nan 8.300 nan 0.000 0.445 61 A N 5.113 127.208 122.820 -1.208 0.000 2.359 61 A HA 0.519 4.840 4.320 0.001 0.000 0.303 61 A C -2.191 174.408 177.584 -1.642 0.000 1.066 61 A CA -0.507 50.857 52.037 -1.121 0.000 0.730 61 A CB 0.549 19.170 19.000 -0.630 0.000 1.211 61 A HN 0.935 nan 8.150 nan 0.000 0.439 62 W N 3.124 123.500 121.300 -1.540 0.000 2.365 62 W HA 0.698 5.359 4.660 0.001 0.000 0.316 62 W C -1.630 174.227 176.519 -1.102 0.000 1.164 62 W CA -0.056 56.567 57.345 -1.203 0.000 1.204 62 W CB 0.738 29.788 29.460 -0.683 0.000 1.213 62 W HN 0.490 nan 8.180 nan 0.000 0.539 63 F N 6.647 125.862 119.950 -1.226 0.000 2.576 63 F HA 0.335 4.863 4.527 0.001 0.000 0.313 63 F C -1.219 173.673 175.800 -1.513 0.000 1.078 63 F CA -2.164 55.232 58.000 -1.006 0.000 0.921 63 F CB 1.988 40.580 39.000 -0.681 0.000 1.232 63 F HN 0.229 nan 8.300 nan 0.000 0.459 64 P HA 0.079 nan 4.420 nan 0.000 0.229 64 P C -0.306 176.865 177.300 -0.215 0.000 1.160 64 P CA 0.853 63.691 63.100 -0.436 0.000 0.777 64 P CB 0.707 32.425 31.700 0.031 0.000 0.814 65 A N -0.405 122.295 122.820 -0.200 0.000 2.605 65 A HA 0.523 4.843 4.320 0.001 0.000 0.294 65 A C -2.407 175.062 177.584 -0.192 0.000 1.062 65 A CA -1.088 50.878 52.037 -0.117 0.000 0.682 65 A CB 0.597 19.591 19.000 -0.010 0.000 1.278 65 A HN -0.276 nan 8.150 nan 0.000 0.410 66 P HA -0.117 nan 4.420 nan 0.000 0.220 66 P C 0.650 177.844 177.300 -0.177 0.000 1.148 66 P CA 1.418 64.371 63.100 -0.244 0.000 0.803 66 P CB 0.306 31.821 31.700 -0.309 0.000 0.782 67 E N 0.460 120.614 120.200 -0.077 0.000 2.204 67 E HA -0.034 4.317 4.350 0.001 0.000 0.194 67 E C 2.109 178.629 176.600 -0.134 0.000 0.989 67 E CA 1.182 57.547 56.400 -0.057 0.000 0.824 67 E CB -0.913 28.794 29.700 0.012 0.000 0.756 67 E HN 0.222 nan 8.360 nan 0.000 0.477 68 A N 0.539 123.251 122.820 -0.180 0.000 2.235 68 A HA 0.063 4.384 4.320 0.001 0.000 0.208 68 A C 0.653 177.926 177.584 -0.518 0.000 1.172 68 A CA 0.001 51.920 52.037 -0.197 0.000 0.786 68 A CB 0.078 19.049 19.000 -0.047 0.000 0.804 68 A HN 0.036 nan 8.150 nan 0.000 0.479 69 V N 3.241 122.717 119.914 -0.731 0.000 2.455 69 V HA 0.203 4.323 4.120 0.001 0.000 0.273 69 V C -1.990 173.766 176.094 -0.563 0.000 1.045 69 V CA -1.539 60.096 62.300 -1.109 0.000 0.976 69 V CB 0.687 31.926 31.823 -0.973 0.000 0.993 69 V HN 0.352 nan 8.190 nan 0.000 0.475 70 P HA 0.228 nan 4.420 nan 0.000 0.275 70 P C 0.189 177.424 177.300 -0.107 0.000 1.227 70 P CA -0.323 62.666 63.100 -0.185 0.000 0.781 70 P CB 1.346 32.995 31.700 -0.086 0.000 0.906 71 E N 0.736 120.889 120.200 -0.079 0.000 2.409 71 E HA -0.125 4.225 4.350 0.001 0.000 0.198 71 E C 1.819 178.386 176.600 -0.056 0.000 1.024 71 E CA 1.226 57.584 56.400 -0.071 0.000 0.861 71 E CB -0.382 29.281 29.700 -0.061 0.000 0.788 71 E HN 0.523 nan 8.360 nan 0.000 0.521 72 S N -0.844 114.845 115.700 -0.019 0.000 2.453 72 S HA -0.143 4.328 4.470 0.001 0.000 0.231 72 S C 1.756 176.361 174.600 0.008 0.000 1.005 72 S CA 0.247 58.441 58.200 -0.010 0.000 0.949 72 S CB -0.546 62.660 63.200 0.011 0.000 0.774 72 S HN 0.556 nan 8.310 nan 0.000 0.510 73 W N 2.555 123.761 121.300 -0.156 0.000 2.392 73 W HA 0.112 4.772 4.660 0.001 0.000 0.279 73 W C 1.456 177.861 176.519 -0.191 0.000 1.225 73 W CA 0.720 57.973 57.345 -0.154 0.000 1.233 73 W CB -0.307 29.041 29.460 -0.186 0.000 1.122 73 W HN 0.261 nan 8.180 nan 0.000 0.561 74 L N 0.250 121.208 121.223 -0.441 0.000 2.141 74 L HA -0.152 4.189 4.340 0.001 0.000 0.209 74 L C 2.425 179.036 176.870 -0.431 0.000 1.094 74 L CA 1.293 55.722 54.840 -0.685 0.000 0.763 74 L CB -0.665 41.032 42.059 -0.603 0.000 0.908 74 L HN -0.029 nan 8.230 nan 0.000 0.437 75 E N -1.469 118.575 120.200 -0.260 0.000 2.244 75 E HA 0.066 4.416 4.350 0.001 0.000 0.196 75 E C 0.239 176.760 176.600 -0.132 0.000 0.939 75 E CA 0.278 56.584 56.400 -0.156 0.000 0.884 75 E CB 0.688 30.333 29.700 -0.092 0.000 0.850 75 E HN 0.317 nan 8.360 nan 0.000 0.481 76 C N 1.518 120.749 119.300 -0.115 0.000 2.634 76 C HA 0.404 4.864 4.460 0.001 0.000 0.313 76 C C -0.449 174.524 174.990 -0.029 0.000 1.198 76 C CA -0.912 58.070 59.018 -0.060 0.000 1.605 76 C CB 1.145 28.870 27.740 -0.024 0.000 2.196 76 C HN 0.203 nan 8.230 nan 0.000 0.486 77 D N 2.245 122.647 120.400 0.003 0.000 2.414 77 D HA 0.305 4.946 4.640 0.001 0.000 0.242 77 D C -0.414 175.947 176.300 0.103 0.000 1.129 77 D CA 0.336 54.376 54.000 0.067 0.000 0.885 77 D CB 0.618 41.450 40.800 0.054 0.000 1.198 77 D HN 0.539 nan 8.370 nan 0.000 0.437 78 L N 5.824 127.147 121.223 0.167 0.000 2.331 78 L HA 0.274 4.614 4.340 0.001 0.000 0.278 78 L C -1.071 175.851 176.870 0.087 0.000 1.106 78 L CA -1.389 53.532 54.840 0.135 0.000 0.824 78 L CB 1.295 43.453 42.059 0.166 0.000 1.142 78 L HN 0.523 nan 8.230 nan 0.000 0.443 79 P HA -0.133 nan 4.420 nan 0.000 0.221 79 P C 0.640 177.963 177.300 0.038 0.000 1.150 79 P CA 1.075 64.202 63.100 0.046 0.000 0.800 79 P CB 0.322 32.044 31.700 0.036 0.000 0.787 80 E N 0.333 120.551 120.200 0.030 0.000 2.347 80 E HA 0.127 4.477 4.350 0.001 0.000 0.196 80 E C 1.130 177.730 176.600 -0.000 0.000 1.008 80 E CA 0.174 56.578 56.400 0.007 0.000 0.852 80 E CB -0.680 29.009 29.700 -0.018 0.000 0.783 80 E HN 0.238 nan 8.360 nan 0.000 0.505 81 A N 1.503 124.332 122.820 0.015 0.000 2.445 81 A HA 0.121 4.441 4.320 0.001 0.000 0.242 81 A C -0.135 177.497 177.584 0.080 0.000 1.075 81 A CA -0.308 51.741 52.037 0.021 0.000 0.777 81 A CB 0.325 19.360 19.000 0.058 0.000 1.013 81 A HN -0.049 nan 8.150 nan 0.000 0.493 82 D N 0.518 120.998 120.400 0.134 0.000 2.326 82 D HA 0.448 5.088 4.640 0.001 0.000 0.251 82 D C -0.382 176.032 176.300 0.190 0.000 1.023 82 D CA 0.082 54.183 54.000 0.169 0.000 0.966 82 D CB 1.313 42.258 40.800 0.242 0.000 1.156 82 D HN 0.428 nan 8.370 nan 0.000 0.494 83 T N 0.537 115.180 114.554 0.149 0.000 2.771 83 T HA 0.463 4.814 4.350 0.001 0.000 0.291 83 T C 0.194 174.974 174.700 0.134 0.000 0.954 83 T CA -0.604 61.590 62.100 0.157 0.000 1.045 83 T CB 0.736 69.673 68.868 0.115 0.000 0.917 83 T HN 0.260 nan 8.240 nan 0.000 0.484 84 V N 1.062 121.088 119.914 0.186 0.000 2.962 84 V HA 0.754 4.874 4.120 0.001 0.000 0.313 84 V C -0.212 175.993 176.094 0.184 0.000 1.099 84 V CA -1.141 61.224 62.300 0.108 0.000 0.971 84 V CB 1.662 33.549 31.823 0.106 0.000 1.028 84 V HN 0.546 nan 8.190 nan 0.000 0.430 85 V N 3.078 123.072 119.914 0.132 0.000 2.555 85 V HA 0.385 4.506 4.120 0.001 0.000 0.286 85 V C 0.220 176.398 176.094 0.141 0.000 1.044 85 V CA 0.003 62.394 62.300 0.151 0.000 1.026 85 V CB 1.090 32.980 31.823 0.113 0.000 0.981 85 V HN 0.736 nan 8.190 nan 0.000 0.480 86 V N 7.541 127.479 119.914 0.039 0.000 2.495 86 V HA 0.443 4.563 4.120 0.001 0.000 0.298 86 V C -2.171 173.838 176.094 -0.141 0.000 1.031 86 V CA -1.797 60.391 62.300 -0.186 0.000 0.871 86 V CB 2.339 33.713 31.823 -0.749 0.000 0.988 86 V HN 0.762 nan 8.190 nan 0.000 0.432 87 P HA 0.352 nan 4.420 nan 0.000 0.275 87 P C -0.773 176.477 177.300 -0.083 0.000 1.228 87 P CA -0.014 62.982 63.100 -0.174 0.000 0.786 87 P CB 1.303 32.908 31.700 -0.157 0.000 0.927 88 S N 0.768 116.430 115.700 -0.063 0.000 2.552 88 S HA 0.377 4.848 4.470 0.001 0.000 0.272 88 S C -1.158 173.400 174.600 -0.070 0.000 1.150 88 S CA -1.049 57.118 58.200 -0.054 0.000 0.849 88 S CB 0.375 63.575 63.200 -0.001 0.000 1.113 88 S HN 0.347 nan 8.310 nan 0.000 0.458 89 N N 1.284 119.879 118.700 -0.175 0.000 2.434 89 N HA 0.389 5.130 4.740 0.001 0.000 0.272 89 N C 0.512 175.859 175.510 -0.273 0.000 1.040 89 N CA -0.716 52.179 53.050 -0.257 0.000 0.956 89 N CB 0.543 38.837 38.487 -0.322 0.000 1.108 89 N HN 0.871 nan 8.380 nan 0.000 0.481 90 W N 2.294 123.490 121.300 -0.173 0.000 2.699 90 W HA 0.042 4.703 4.660 0.001 0.000 0.249 90 W C 0.829 177.346 176.519 -0.003 0.000 1.280 90 W CA 0.357 57.599 57.345 -0.172 0.000 1.345 90 W CB -0.289 28.984 29.460 -0.312 0.000 1.128 90 W HN 0.504 nan 8.180 nan 0.000 0.642 91 Q N 0.437 120.222 119.800 -0.025 0.000 2.297 91 Q HA -0.042 4.299 4.340 0.001 0.000 0.204 91 Q C 2.113 178.045 176.000 -0.112 0.000 0.962 91 Q CA 1.394 57.184 55.803 -0.022 0.000 0.879 91 Q CB -0.417 28.211 28.738 -0.182 0.000 0.947 91 Q HN 0.237 nan 8.270 nan 0.000 0.462 92 M N -0.897 118.578 119.600 -0.208 0.000 2.562 92 M HA -0.017 4.463 4.480 0.001 0.000 0.257 92 M C 0.554 176.800 176.300 -0.090 0.000 1.099 92 M CA 1.290 56.454 55.300 -0.226 0.000 1.099 92 M CB -0.469 31.954 32.600 -0.294 0.000 1.427 92 M HN 0.356 nan 8.290 nan 0.000 0.489 93 H N -0.753 118.341 119.070 0.039 0.000 2.586 93 H HA 0.318 4.874 4.556 0.001 0.000 0.273 93 H C 1.169 176.410 175.328 -0.146 0.000 0.997 93 H CA 0.118 56.170 56.048 0.007 0.000 1.177 93 H CB 0.338 30.184 29.762 0.140 0.000 1.471 93 H HN 0.541 nan 8.280 nan 0.000 0.538 94 G N 0.451 109.260 108.800 0.015 0.000 2.137 94 G HA2 -0.362 3.598 3.960 0.001 0.000 0.237 94 G HA3 -0.362 3.598 3.960 0.001 0.000 0.237 94 G C 0.292 175.093 174.900 -0.165 0.000 1.002 94 G CA 0.307 45.361 45.100 -0.077 0.000 0.702 94 G HN 0.486 nan 8.290 nan 0.000 0.515 95 Y N 1.345 121.656 120.300 0.018 0.000 2.220 95 Y HA 0.203 4.754 4.550 0.001 0.000 0.291 95 Y C 1.687 177.370 175.900 -0.361 0.000 1.129 95 Y CA 1.615 59.622 58.100 -0.156 0.000 1.161 95 Y CB 0.278 38.719 38.460 -0.031 0.000 0.997 95 Y HN 0.598 nan 8.280 nan 0.000 0.522 96 D N -1.589 118.864 120.400 0.088 0.000 2.626 96 D HA 0.461 5.102 4.640 0.001 0.000 0.278 96 D C -1.086 175.288 176.300 0.123 0.000 1.211 96 D CA -1.002 53.033 54.000 0.059 0.000 0.903 96 D CB 0.927 41.853 40.800 0.211 0.000 1.408 96 D HN -0.040 nan 8.370 nan 0.000 0.454 97 A N 0.466 123.369 122.820 0.139 0.000 2.409 97 A HA 0.554 4.874 4.320 0.001 0.000 0.267 97 A C -2.159 175.502 177.584 0.128 0.000 1.127 97 A CA -1.073 51.050 52.037 0.144 0.000 0.795 97 A CB -0.225 18.899 19.000 0.206 0.000 1.061 97 A HN 0.482 nan 8.150 nan 0.000 0.502 98 P HA 0.219 nan 4.420 nan 0.000 0.274 98 P C -0.569 176.939 177.300 0.346 0.000 1.291 98 P CA 0.284 63.425 63.100 0.070 0.000 0.815 98 P CB 0.153 31.723 31.700 -0.217 0.000 0.897 99 I N 4.606 125.361 120.570 0.309 0.000 2.496 99 I HA 0.119 4.289 4.170 0.001 0.000 0.285 99 I C 0.357 176.636 176.117 0.270 0.000 1.080 99 I CA -0.407 61.077 61.300 0.307 0.000 1.404 99 I CB 0.075 38.246 38.000 0.285 0.000 1.403 99 I HN 0.339 nan 8.210 nan 0.000 0.539 100 Y N 6.077 126.379 120.300 0.003 0.000 2.341 100 Y HA 0.558 5.108 4.550 0.001 0.000 0.338 100 Y C -0.246 175.568 175.900 -0.144 0.000 0.965 100 Y CA -0.411 57.531 58.100 -0.263 0.000 1.108 100 Y CB 1.719 39.699 38.460 -0.801 0.000 1.180 100 Y HN 0.580 nan 8.280 nan 0.000 0.458 101 T N 5.365 119.417 114.554 -0.836 0.000 2.932 101 T HA 0.255 4.605 4.350 0.001 0.000 0.318 101 T C -0.526 173.734 174.700 -0.733 0.000 1.265 101 T CA -0.620 61.090 62.100 -0.649 0.000 1.036 101 T CB 1.319 70.015 68.868 -0.286 0.000 1.209 101 T HN 0.800 nan 8.240 nan 0.000 0.484 102 N N 1.876 120.244 118.700 -0.555 0.000 2.297 102 N HA 0.082 4.822 4.740 0.001 0.000 0.204 102 N C 1.732 177.073 175.510 -0.281 0.000 1.036 102 N CA 1.440 54.240 53.050 -0.416 0.000 0.991 102 N CB -0.438 37.816 38.487 -0.387 0.000 1.198 102 N HN 0.426 nan 8.380 nan 0.000 0.515 103 V N 0.770 120.507 119.914 -0.295 0.000 2.500 103 V HA 0.052 4.172 4.120 0.001 0.000 0.243 103 V C 0.661 176.528 176.094 -0.379 0.000 1.039 103 V CA 0.944 63.036 62.300 -0.347 0.000 1.053 103 V CB -0.735 30.826 31.823 -0.438 0.000 0.695 103 V HN 0.311 nan 8.190 nan 0.000 0.463 104 T N -0.104 114.275 114.554 -0.292 0.000 2.918 104 T HA 0.287 4.638 4.350 0.001 0.000 0.302 104 T C -0.422 174.155 174.700 -0.204 0.000 1.045 104 T CA -0.031 61.946 62.100 -0.205 0.000 1.114 104 T CB 0.334 69.118 68.868 -0.141 0.000 0.965 104 T HN 0.165 nan 8.240 nan 0.000 0.540 105 Y N 3.116 123.333 120.300 -0.139 0.000 2.397 105 Y HA 0.169 4.719 4.550 0.001 0.000 0.335 105 Y C -0.815 174.998 175.900 -0.145 0.000 1.213 105 Y CA -1.651 56.366 58.100 -0.137 0.000 1.391 105 Y CB 0.716 39.089 38.460 -0.145 0.000 1.293 105 Y HN 0.509 nan 8.280 nan 0.000 0.557 106 P HA -0.024 nan 4.420 nan 0.000 0.236 106 P C -0.224 176.974 177.300 -0.170 0.000 1.177 106 P CA 1.059 64.148 63.100 -0.018 0.000 0.773 106 P CB 0.131 31.900 31.700 0.115 0.000 0.878 107 I N -4.496 115.904 120.570 -0.284 0.000 3.133 107 I HA 0.503 4.673 4.170 0.001 0.000 0.311 107 I C -0.533 175.451 176.117 -0.222 0.000 1.072 107 I CA -1.207 59.846 61.300 -0.412 0.000 1.015 107 I CB 1.306 38.835 38.000 -0.785 0.000 1.233 107 I HN -0.456 nan 8.210 nan 0.000 0.473 108 T N 2.581 117.023 114.554 -0.185 0.000 2.834 108 T HA 0.207 4.558 4.350 0.001 0.000 0.298 108 T C 0.189 174.832 174.700 -0.095 0.000 0.966 108 T CA -0.372 61.668 62.100 -0.100 0.000 1.141 108 T CB 0.597 69.429 68.868 -0.060 0.000 0.905 108 T HN 0.382 nan 8.240 nan 0.000 0.535 109 V N 4.772 124.642 119.914 -0.073 0.000 2.341 109 V HA 0.204 4.324 4.120 0.001 0.000 0.248 109 V C 0.638 176.736 176.094 0.007 0.000 1.107 109 V CA -0.252 62.012 62.300 -0.061 0.000 1.069 109 V CB -0.795 30.997 31.823 -0.051 0.000 1.177 109 V HN 0.854 nan 8.190 nan 0.000 0.492 110 N N 5.835 124.591 118.700 0.093 0.000 2.751 110 N HA 0.301 5.042 4.740 0.001 0.000 0.234 110 N C -2.883 172.697 175.510 0.117 0.000 1.403 110 N CA -1.160 51.942 53.050 0.087 0.000 0.747 110 N CB 1.910 40.452 38.487 0.092 0.000 1.326 110 N HN 0.278 nan 8.380 nan 0.000 0.532 111 P HA 0.264 nan 4.420 nan 0.000 0.271 111 P C -2.213 175.043 177.300 -0.073 0.000 1.216 111 P CA -0.862 61.948 63.100 -0.484 0.000 0.776 111 P CB 0.841 32.107 31.700 -0.724 0.000 0.881 112 P HA 0.239 nan 4.420 nan 0.000 0.263 112 P C -0.351 176.945 177.300 -0.006 0.000 1.448 112 P CA -0.310 62.715 63.100 -0.124 0.000 0.983 112 P CB -0.040 31.541 31.700 -0.198 0.000 1.481 113 F N 1.196 121.237 119.950 0.153 0.000 2.418 113 F HA 0.238 4.766 4.527 0.001 0.000 0.341 113 F C 1.353 177.295 175.800 0.237 0.000 1.120 113 F CA -0.505 57.590 58.000 0.158 0.000 1.232 113 F CB 0.785 39.828 39.000 0.072 0.000 1.175 113 F HN -0.205 nan 8.300 nan 0.000 0.569 114 V N 0.139 120.286 119.914 0.388 0.000 3.019 114 V HA 0.683 4.803 4.120 0.001 0.000 0.317 114 V C -2.689 173.531 176.094 0.208 0.000 1.094 114 V CA -3.010 59.441 62.300 0.252 0.000 1.000 114 V CB 1.280 33.310 31.823 0.345 0.000 1.060 114 V HN 0.478 nan 8.190 nan 0.000 0.443 115 P HA 0.149 nan 4.420 nan 0.000 0.265 115 P C 1.103 178.523 177.300 0.200 0.000 1.187 115 P CA 0.616 63.768 63.100 0.088 0.000 0.766 115 P CB 0.494 32.191 31.700 -0.005 0.000 0.820 116 T N -1.265 113.388 114.554 0.165 0.000 2.867 116 T HA -0.083 4.267 4.350 0.001 0.000 0.268 116 T C 0.650 175.457 174.700 0.178 0.000 1.057 116 T CA 0.850 63.056 62.100 0.178 0.000 1.136 116 T CB -0.372 68.570 68.868 0.123 0.000 0.874 116 T HN 0.299 nan 8.240 nan 0.000 0.466 117 E N 3.166 123.470 120.200 0.172 0.000 1.865 117 E HA 0.216 4.567 4.350 0.001 0.000 0.269 117 E C -0.654 176.116 176.600 0.282 0.000 1.177 117 E CA -0.076 56.439 56.400 0.193 0.000 0.932 117 E CB -0.019 29.797 29.700 0.192 0.000 1.066 117 E HN 0.340 nan 8.360 nan 0.000 0.405 118 N N 3.766 122.613 118.700 0.246 0.000 2.626 118 N HA 0.238 4.978 4.740 0.001 0.000 0.249 118 N C -2.834 172.729 175.510 0.090 0.000 1.021 118 N CA -2.384 50.859 53.050 0.321 0.000 0.886 118 N CB 1.088 39.757 38.487 0.302 0.000 1.149 118 N HN -0.062 nan 8.380 nan 0.000 0.517 119 P HA 0.008 nan 4.420 nan 0.000 0.260 119 P C -0.831 176.345 177.300 -0.207 0.000 1.172 119 P CA 0.538 63.576 63.100 -0.103 0.000 0.760 119 P CB 0.426 32.361 31.700 0.391 0.000 0.773 120 T N 2.905 117.079 114.554 -0.633 0.000 2.792 120 T HA 0.554 4.904 4.350 0.001 0.000 0.280 120 T C 0.289 174.491 174.700 -0.830 0.000 0.990 120 T CA -0.555 61.244 62.100 -0.502 0.000 0.960 120 T CB 1.480 70.098 68.868 -0.416 0.000 0.939 120 T HN 0.331 nan 8.240 nan 0.000 0.439 121 G N 1.153 109.553 108.800 -0.666 0.000 2.384 121 G HA2 0.464 4.425 3.960 0.001 0.000 0.316 121 G HA3 0.464 4.425 3.960 0.001 0.000 0.316 121 G C -0.214 174.463 174.900 -0.372 0.000 1.160 121 G CA -0.364 44.261 45.100 -0.792 0.000 0.936 121 G HN 0.865 nan 8.290 nan 0.000 0.455 122 C N 3.510 122.352 119.300 -0.762 0.000 2.200 122 C HA 0.414 4.875 4.460 0.001 0.000 0.328 122 C C -0.361 174.563 174.990 -0.109 0.000 1.148 122 C CA -0.952 57.749 59.018 -0.528 0.000 1.624 122 C CB -1.856 25.205 27.740 -1.131 0.000 2.167 122 C HN 0.631 nan 8.230 nan 0.000 0.484 123 Y N 2.092 122.669 120.300 0.462 0.000 2.352 123 Y HA 0.580 5.130 4.550 0.001 0.000 0.326 123 Y C 0.898 177.277 175.900 0.797 0.000 1.166 123 Y CA 0.050 58.549 58.100 0.664 0.000 1.182 123 Y CB 1.306 40.123 38.460 0.595 0.000 1.216 123 Y HN 0.672 nan 8.280 nan 0.000 0.474 124 S N 2.482 118.692 115.700 0.850 0.000 2.556 124 S HA 0.788 5.258 4.470 0.001 0.000 0.271 124 S C -1.933 172.735 174.600 0.114 0.000 1.135 124 S CA -0.833 57.639 58.200 0.453 0.000 0.858 124 S CB 2.085 65.457 63.200 0.287 0.000 1.114 124 S HN 0.566 nan 8.310 nan 0.000 0.468 125 L N 1.074 122.157 121.223 -0.234 0.000 2.493 125 L HA 0.704 5.045 4.340 0.001 0.000 0.265 125 L C -1.004 175.803 176.870 -0.105 0.000 0.954 125 L CA 0.136 54.677 54.840 -0.498 0.000 0.844 125 L CB 2.296 43.491 42.059 -1.440 0.000 1.302 125 L HN 0.918 nan 8.230 nan 0.000 0.405 126 T N 5.882 120.408 114.554 -0.046 0.000 2.749 126 T HA 0.721 5.071 4.350 0.001 0.000 0.287 126 T C -0.830 173.922 174.700 0.086 0.000 0.970 126 T CA 0.023 62.136 62.100 0.021 0.000 0.980 126 T CB 0.132 68.979 68.868 -0.035 0.000 0.924 126 T HN 0.442 nan 8.240 nan 0.000 0.456 127 F N 1.203 121.058 119.950 -0.157 0.000 2.662 127 F HA 0.722 5.250 4.527 0.001 0.000 0.312 127 F C -0.800 174.925 175.800 -0.125 0.000 1.113 127 F CA -1.551 56.358 58.000 -0.151 0.000 0.951 127 F CB 1.390 40.279 39.000 -0.185 0.000 1.344 127 F HN 0.339 nan 8.300 nan 0.000 0.462 128 N N 0.747 119.369 118.700 -0.131 0.000 2.456 128 N HA 0.590 5.330 4.740 0.001 0.000 0.288 128 N C -1.836 173.547 175.510 -0.211 0.000 1.059 128 N CA -0.400 52.521 53.050 -0.216 0.000 0.946 128 N CB 1.821 40.234 38.487 -0.123 0.000 1.150 128 N HN 0.642 nan 8.380 nan 0.000 0.479 129 V N 2.789 122.545 119.914 -0.265 0.000 2.448 129 V HA 0.263 4.383 4.120 0.001 0.000 0.295 129 V C -0.174 175.818 176.094 -0.170 0.000 1.025 129 V CA -0.986 61.178 62.300 -0.226 0.000 0.859 129 V CB 1.480 33.215 31.823 -0.147 0.000 0.988 129 V HN 0.736 nan 8.190 nan 0.000 0.431 130 D N 2.630 122.905 120.400 -0.208 0.000 2.345 130 D HA 0.061 4.701 4.640 0.001 0.000 0.247 130 D C 1.005 177.324 176.300 0.032 0.000 1.108 130 D CA -0.084 53.867 54.000 -0.082 0.000 0.894 130 D CB 1.896 42.654 40.800 -0.069 0.000 1.203 130 D HN 0.753 nan 8.370 nan 0.000 0.430 131 E N 1.706 121.930 120.200 0.039 0.000 2.171 131 E HA -0.233 4.118 4.350 0.001 0.000 0.197 131 E C 1.789 178.457 176.600 0.112 0.000 0.997 131 E CA 1.984 58.423 56.400 0.066 0.000 0.810 131 E CB -0.048 29.675 29.700 0.038 0.000 0.738 131 E HN 0.472 nan 8.360 nan 0.000 0.467 132 S N -0.969 114.810 115.700 0.131 0.000 2.400 132 S HA -0.184 4.287 4.470 0.001 0.000 0.232 132 S C 1.754 176.433 174.600 0.132 0.000 1.025 132 S CA 1.051 59.325 58.200 0.123 0.000 0.993 132 S CB -0.852 62.418 63.200 0.117 0.000 0.808 132 S HN 0.442 nan 8.310 nan 0.000 0.478 133 W N 1.591 122.837 121.300 -0.090 0.000 2.467 133 W HA 0.332 4.993 4.660 0.001 0.000 0.275 133 W C 1.984 178.577 176.519 0.124 0.000 1.239 133 W CA 0.141 57.432 57.345 -0.090 0.000 1.266 133 W CB -0.388 29.071 29.460 -0.002 0.000 1.112 133 W HN 0.306 nan 8.180 nan 0.000 0.576 134 L N -1.092 120.306 121.223 0.292 0.000 2.463 134 L HA 0.059 4.399 4.340 0.001 0.000 0.219 134 L C 2.219 179.176 176.870 0.146 0.000 1.088 134 L CA 0.368 55.336 54.840 0.213 0.000 0.849 134 L CB -0.690 41.464 42.059 0.159 0.000 1.012 134 L HN -0.099 nan 8.230 nan 0.000 0.468 135 Q N 0.873 120.746 119.800 0.122 0.000 2.124 135 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 135 Q C 0.234 176.284 176.000 0.083 0.000 0.977 135 Q CA 1.213 57.066 55.803 0.083 0.000 0.850 135 Q CB 0.268 29.044 28.738 0.064 0.000 0.901 135 Q HN 0.585 nan 8.270 nan 0.000 0.429 136 E N -1.964 118.305 120.200 0.114 0.000 2.429 136 E HA 0.557 4.908 4.350 0.001 0.000 0.276 136 E C -0.109 176.602 176.600 0.185 0.000 0.953 136 E CA -0.615 55.851 56.400 0.110 0.000 0.787 136 E CB 1.796 31.544 29.700 0.079 0.000 1.307 136 E HN 0.102 nan 8.360 nan 0.000 0.458 137 G N 0.774 109.614 108.800 0.067 0.000 2.693 137 G HA2 -0.273 3.688 3.960 0.001 0.000 0.226 137 G HA3 -0.273 3.688 3.960 0.001 0.000 0.226 137 G C -0.823 173.972 174.900 -0.175 0.000 1.354 137 G CA 0.098 45.135 45.100 -0.106 0.000 0.873 137 G HN 0.753 nan 8.290 nan 0.000 0.562 138 Q N -0.383 119.158 119.800 -0.432 0.000 2.330 138 Q HA 0.619 4.959 4.340 0.001 0.000 0.269 138 Q C -0.970 174.883 176.000 -0.244 0.000 1.022 138 Q CA -0.459 55.209 55.803 -0.225 0.000 0.796 138 Q CB 1.448 30.093 28.738 -0.155 0.000 1.271 138 Q HN 0.631 nan 8.270 nan 0.000 0.450 139 T N 5.004 119.583 114.554 0.042 0.000 2.756 139 T HA 0.453 4.804 4.350 0.001 0.000 0.290 139 T C -0.523 174.295 174.700 0.196 0.000 0.985 139 T CA -0.631 61.598 62.100 0.214 0.000 0.955 139 T CB 0.436 69.571 68.868 0.445 0.000 0.930 139 T HN 0.611 nan 8.240 nan 0.000 0.451 140 R N 2.854 123.456 120.500 0.170 0.000 2.732 140 R HA 0.769 5.109 4.340 0.001 0.000 0.278 140 R C -0.955 175.442 176.300 0.161 0.000 0.976 140 R CA -0.964 55.232 56.100 0.161 0.000 0.963 140 R CB 1.412 31.782 30.300 0.116 0.000 1.150 140 R HN 0.544 nan 8.270 nan 0.000 0.478 141 I N 2.603 123.268 120.570 0.159 0.000 2.437 141 I HA 0.398 4.569 4.170 0.001 0.000 0.298 141 I C -0.949 175.196 176.117 0.046 0.000 0.984 141 I CA -1.202 60.137 61.300 0.065 0.000 1.214 141 I CB 1.219 39.252 38.000 0.056 0.000 1.365 141 I HN 0.617 nan 8.210 nan 0.000 0.469 142 I N 7.463 127.958 120.570 -0.124 0.000 2.411 142 I HA 0.267 4.437 4.170 0.001 0.000 0.284 142 I C -1.242 174.703 176.117 -0.287 0.000 1.012 142 I CA -0.339 60.901 61.300 -0.100 0.000 1.119 142 I CB 1.157 39.120 38.000 -0.062 0.000 1.261 142 I HN 0.366 nan 8.210 nan 0.000 0.448 143 F N 4.588 124.515 119.950 -0.037 0.000 2.313 143 F HA 0.260 4.787 4.527 0.001 0.000 0.369 143 F C 1.338 177.018 175.800 -0.201 0.000 1.109 143 F CA -0.421 57.481 58.000 -0.164 0.000 1.132 143 F CB 0.631 39.478 39.000 -0.256 0.000 1.291 143 F HN 0.457 nan 8.300 nan 0.000 0.496 144 D N 2.350 122.665 120.400 -0.142 0.000 2.264 144 D HA 0.034 4.675 4.640 0.001 0.000 0.208 144 D C 1.042 177.168 176.300 -0.290 0.000 0.966 144 D CA 0.917 54.788 54.000 -0.216 0.000 0.864 144 D CB 0.376 40.998 40.800 -0.297 0.000 0.933 144 D HN 0.626 nan 8.370 nan 0.000 0.499 145 G N -0.315 108.244 108.800 -0.402 0.000 2.413 145 G HA2 0.441 4.401 3.960 0.001 0.000 0.285 145 G HA3 0.441 4.401 3.960 0.001 0.000 0.285 145 G C -1.394 173.181 174.900 -0.543 0.000 1.337 145 G CA -0.402 44.304 45.100 -0.658 0.000 1.324 145 G HN -0.055 nan 8.290 nan 0.000 0.611 146 V N 2.625 122.453 119.914 -0.144 0.000 2.577 146 V HA 0.541 4.661 4.120 0.001 0.000 0.303 146 V C -0.827 175.364 176.094 0.162 0.000 1.042 146 V CA -1.207 61.057 62.300 -0.059 0.000 0.872 146 V CB 2.014 33.592 31.823 -0.407 0.000 0.998 146 V HN 0.658 nan 8.190 nan 0.000 0.423 147 N N 2.230 121.021 118.700 0.152 0.000 2.443 147 N HA 0.321 5.062 4.740 0.001 0.000 0.269 147 N C 0.648 176.111 175.510 -0.078 0.000 0.985 147 N CA 0.150 53.201 53.050 0.001 0.000 0.921 147 N CB 2.224 40.560 38.487 -0.251 0.000 1.195 147 N HN 0.731 nan 8.380 nan 0.000 0.492 148 S N 1.693 117.382 115.700 -0.019 0.000 2.505 148 S HA 0.541 5.012 4.470 0.001 0.000 0.216 148 S C 0.438 175.102 174.600 0.105 0.000 1.018 148 S CA -0.064 58.164 58.200 0.048 0.000 0.911 148 S CB 0.473 63.710 63.200 0.062 0.000 0.818 148 S HN 0.603 nan 8.310 nan 0.000 0.497 149 A N 0.901 123.796 122.820 0.125 0.000 2.609 149 A HA 0.790 5.110 4.320 0.001 0.000 0.291 149 A C -1.402 176.287 177.584 0.174 0.000 1.096 149 A CA -0.999 51.083 52.037 0.075 0.000 0.684 149 A CB 0.977 20.032 19.000 0.092 0.000 1.282 149 A HN 1.067 nan 8.150 nan 0.000 0.412 150 F N -0.448 119.362 119.950 -0.234 0.000 2.665 150 F HA 0.708 5.235 4.527 0.001 0.000 0.308 150 F C -1.168 174.554 175.800 -0.131 0.000 1.112 150 F CA -0.717 57.219 58.000 -0.106 0.000 0.972 150 F CB 1.126 40.038 39.000 -0.146 0.000 1.295 150 F HN 0.638 nan 8.300 nan 0.000 0.440 151 H N 2.461 121.646 119.070 0.191 0.000 2.479 151 H HA 0.670 5.227 4.556 0.001 0.000 0.335 151 H C -1.314 173.965 175.328 -0.081 0.000 1.142 151 H CA -0.647 55.399 56.048 -0.003 0.000 1.234 151 H CB 2.472 32.251 29.762 0.027 0.000 1.503 151 H HN 0.774 nan 8.280 nan 0.000 0.510 152 L N 2.929 123.921 121.223 -0.384 0.000 2.362 152 L HA 0.369 4.710 4.340 0.001 0.000 0.275 152 L C -1.488 175.054 176.870 -0.547 0.000 0.998 152 L CA -0.499 54.161 54.840 -0.299 0.000 0.820 152 L CB 1.283 43.060 42.059 -0.469 0.000 1.270 152 L HN 0.505 nan 8.230 nan 0.000 0.415 153 W N 4.322 125.590 121.300 -0.053 0.000 2.761 153 W HA 0.587 5.247 4.660 0.001 0.000 0.340 153 W C -1.101 175.363 176.519 -0.092 0.000 1.072 153 W CA -0.772 56.522 57.345 -0.085 0.000 1.215 153 W CB 2.033 31.466 29.460 -0.044 0.000 1.420 153 W HN 0.541 nan 8.180 nan 0.000 0.519 154 C N 4.835 124.211 119.300 0.126 0.000 2.397 154 C HA 0.275 4.735 4.460 0.001 0.000 0.325 154 C C 0.123 175.227 174.990 0.190 0.000 1.201 154 C CA -0.433 58.663 59.018 0.130 0.000 1.377 154 C CB -0.656 27.117 27.740 0.054 0.000 2.038 154 C HN 0.795 nan 8.230 nan 0.000 0.457 155 N N 3.813 122.585 118.700 0.120 0.000 2.714 155 N HA -0.192 4.549 4.740 0.001 0.000 0.252 155 N C 1.027 176.593 175.510 0.094 0.000 1.014 155 N CA 1.975 55.071 53.050 0.076 0.000 0.735 155 N CB -1.300 37.232 38.487 0.076 0.000 0.924 155 N HN 1.797 nan 8.380 nan 0.000 0.540 156 G N -1.255 107.594 108.800 0.081 0.000 2.267 156 G HA2 -0.387 3.573 3.960 0.001 0.000 0.257 156 G HA3 -0.387 3.573 3.960 0.001 0.000 0.257 156 G C 0.205 175.267 174.900 0.270 0.000 0.998 156 G CA 0.643 45.789 45.100 0.077 0.000 0.620 156 G HN 0.570 nan 8.290 nan 0.000 0.529 157 R N -0.666 120.045 120.500 0.351 0.000 2.297 157 R HA 0.427 4.768 4.340 0.001 0.000 0.308 157 R C -0.109 176.482 176.300 0.485 0.000 1.029 157 R CA -0.768 55.606 56.100 0.458 0.000 0.929 157 R CB 0.806 31.390 30.300 0.474 0.000 1.046 157 R HN 0.274 nan 8.270 nan 0.000 0.461 158 W N 3.875 125.325 121.300 0.251 0.000 2.253 158 W HA 0.096 4.756 4.660 0.001 0.000 0.322 158 W C 0.022 176.413 176.519 -0.213 0.000 1.342 158 W CA -0.056 57.155 57.345 -0.223 0.000 1.218 158 W CB 0.650 29.970 29.460 -0.232 0.000 1.205 158 W HN 0.332 nan 8.180 nan 0.000 0.551 159 V N 5.426 124.559 119.914 -1.301 0.000 2.599 159 V HA 0.536 4.657 4.120 0.001 0.000 0.237 159 V C 1.075 176.180 176.094 -1.649 0.000 1.081 159 V CA 1.090 62.571 62.300 -1.365 0.000 1.107 159 V CB -0.458 30.622 31.823 -1.238 0.000 0.808 159 V HN 0.807 nan 8.190 nan 0.000 0.486 160 G N -1.901 105.731 108.800 -1.946 0.000 2.490 160 G HA2 0.479 4.440 3.960 0.001 0.000 0.308 160 G HA3 0.479 4.440 3.960 0.001 0.000 0.308 160 G C -2.424 172.034 174.900 -0.737 0.000 1.286 160 G CA -0.255 44.032 45.100 -1.355 0.000 0.825 160 G HN 0.011 nan 8.290 nan 0.000 0.479 161 Y N -0.541 119.510 120.300 -0.413 0.000 2.571 161 Y HA 0.693 5.244 4.550 0.001 0.000 0.341 161 Y C -0.126 175.597 175.900 -0.296 0.000 1.076 161 Y CA -0.117 57.714 58.100 -0.448 0.000 1.029 161 Y CB 2.273 40.605 38.460 -0.214 0.000 1.308 161 Y HN 1.217 nan 8.280 nan 0.000 0.461 162 G N 3.798 111.810 108.800 -1.313 0.000 2.733 162 G HA2 0.575 4.536 3.960 0.001 0.000 0.297 162 G HA3 0.575 4.536 3.960 0.001 0.000 0.297 162 G C -2.105 172.352 174.900 -0.738 0.000 1.422 162 G CA -0.816 43.818 45.100 -0.776 0.000 0.942 162 G HN 0.619 nan 8.290 nan 0.000 0.510 163 Q N -0.205 119.400 119.800 -0.326 0.000 2.633 163 Q HA 0.603 4.943 4.340 0.001 0.000 0.292 163 Q C -1.317 174.679 176.000 -0.007 0.000 1.089 163 Q CA -0.840 54.889 55.803 -0.124 0.000 0.811 163 Q CB 2.535 31.253 28.738 -0.035 0.000 1.472 163 Q HN 0.641 nan 8.270 nan 0.000 0.464 164 D N -0.318 120.115 120.400 0.055 0.000 4.531 164 D HA -0.099 4.541 4.640 0.001 0.000 0.229 164 D C -0.461 175.896 176.300 0.095 0.000 1.248 164 D CA 0.478 54.525 54.000 0.079 0.000 1.039 164 D CB -0.496 40.336 40.800 0.052 0.000 0.609 164 D HN 0.528 nan 8.370 nan 0.000 0.283 165 S N 3.298 119.070 115.700 0.119 0.000 2.507 165 S HA -0.074 4.396 4.470 0.001 0.000 0.235 165 S C 1.562 176.287 174.600 0.209 0.000 0.988 165 S CA 0.637 58.939 58.200 0.170 0.000 0.944 165 S CB 0.245 63.516 63.200 0.118 0.000 0.762 165 S HN 0.459 nan 8.310 nan 0.000 0.526 166 R N 0.001 120.581 120.500 0.134 0.000 2.508 166 R HA 0.435 4.775 4.340 0.001 0.000 0.300 166 R C -0.398 175.951 176.300 0.082 0.000 0.970 166 R CA 0.056 56.233 56.100 0.128 0.000 1.102 166 R CB 0.202 30.599 30.300 0.161 0.000 1.246 166 R HN 0.318 nan 8.270 nan 0.000 0.539 167 L N 1.731 122.975 121.223 0.035 0.000 2.371 167 L HA 0.506 4.846 4.340 0.001 0.000 0.262 167 L C -2.363 174.478 176.870 -0.049 0.000 1.006 167 L CA -2.288 52.545 54.840 -0.011 0.000 0.818 167 L CB 3.009 45.059 42.059 -0.015 0.000 1.354 167 L HN -0.210 nan 8.230 nan 0.000 0.415 168 P HA 0.078 nan 4.420 nan 0.000 0.271 168 P C -0.949 176.311 177.300 -0.066 0.000 1.216 168 P CA -0.145 62.901 63.100 -0.090 0.000 0.771 168 P CB 1.075 32.685 31.700 -0.150 0.000 0.864 169 S N 2.204 117.922 115.700 0.031 0.000 2.437 169 S HA 0.317 4.787 4.470 0.001 0.000 0.305 169 S C -0.319 174.248 174.600 -0.055 0.000 1.109 169 S CA -0.563 57.629 58.200 -0.013 0.000 1.099 169 S CB 0.843 64.202 63.200 0.264 0.000 1.004 169 S HN 0.379 nan 8.310 nan 0.000 0.475 170 E N 1.916 121.878 120.200 -0.396 0.000 2.222 170 E HA 0.551 4.902 4.350 0.001 0.000 0.267 170 E C -1.495 174.747 176.600 -0.597 0.000 0.884 170 E CA -0.528 55.709 56.400 -0.271 0.000 0.764 170 E CB 1.742 31.388 29.700 -0.090 0.000 1.169 170 E HN 0.427 nan 8.360 nan 0.000 0.413 171 F N 0.756 120.766 119.950 0.100 0.000 2.569 171 F HA 0.190 4.717 4.527 0.001 0.000 0.312 171 F C -0.054 175.778 175.800 0.054 0.000 1.109 171 F CA -1.110 56.915 58.000 0.042 0.000 0.919 171 F CB 1.636 40.633 39.000 -0.005 0.000 1.211 171 F HN 0.281 nan 8.300 nan 0.000 0.446 172 D N 3.255 123.791 120.400 0.227 0.000 2.339 172 D HA 0.212 4.852 4.640 0.001 0.000 0.256 172 D C 0.318 176.776 176.300 0.263 0.000 1.214 172 D CA 0.402 54.524 54.000 0.203 0.000 0.877 172 D CB 0.950 41.851 40.800 0.167 0.000 1.111 172 D HN 0.576 nan 8.370 nan 0.000 0.478 173 L N 2.730 124.113 121.223 0.266 0.000 2.728 173 L HA 0.058 4.398 4.340 0.001 0.000 0.238 173 L C 2.065 179.163 176.870 0.381 0.000 1.143 173 L CA -0.163 54.883 54.840 0.343 0.000 0.937 173 L CB 0.143 42.355 42.059 0.254 0.000 1.225 173 L HN 0.254 nan 8.230 nan 0.000 0.507 174 S N 1.154 117.023 115.700 0.282 0.000 2.387 174 S HA -0.216 4.254 4.470 0.001 0.000 0.230 174 S C 2.044 176.733 174.600 0.149 0.000 1.035 174 S CA 1.676 59.995 58.200 0.198 0.000 1.014 174 S CB -0.052 63.226 63.200 0.130 0.000 0.836 174 S HN 0.558 nan 8.310 nan 0.000 0.466 175 A N -0.596 122.290 122.820 0.110 0.000 2.218 175 A HA 0.360 4.681 4.320 0.001 0.000 0.209 175 A C 1.408 178.864 177.584 -0.212 0.000 1.168 175 A CA 0.217 52.193 52.037 -0.101 0.000 0.804 175 A CB -0.332 18.519 19.000 -0.248 0.000 0.834 175 A HN 0.472 nan 8.150 nan 0.000 0.482 176 F N -0.402 119.588 119.950 0.066 0.000 2.505 176 F HA 0.341 4.868 4.527 0.001 0.000 0.289 176 F C 0.752 176.586 175.800 0.056 0.000 1.101 176 F CA -0.019 58.018 58.000 0.063 0.000 1.446 176 F CB -0.004 39.037 39.000 0.069 0.000 1.123 176 F HN -0.041 nan 8.300 nan 0.000 0.564 177 L N 1.632 122.999 121.223 0.240 0.000 2.418 177 L HA 0.384 4.724 4.340 0.001 0.000 0.265 177 L C 0.317 177.228 176.870 0.067 0.000 1.143 177 L CA -0.511 54.412 54.840 0.138 0.000 0.809 177 L CB 0.782 42.935 42.059 0.158 0.000 1.124 177 L HN 0.059 nan 8.230 nan 0.000 0.456 178 R N 1.773 122.277 120.500 0.007 0.000 2.807 178 R HA 0.787 5.128 4.340 0.001 0.000 0.276 178 R C -0.956 175.320 176.300 -0.039 0.000 0.979 178 R CA -0.948 55.146 56.100 -0.011 0.000 0.928 178 R CB 1.513 31.799 30.300 -0.024 0.000 1.191 178 R HN 0.555 nan 8.270 nan 0.000 0.471 179 A N 1.359 124.165 122.820 -0.023 0.000 2.524 179 A HA 0.464 4.784 4.320 0.001 0.000 0.250 179 A C 1.047 178.591 177.584 -0.068 0.000 1.078 179 A CA 1.116 53.132 52.037 -0.034 0.000 0.761 179 A CB -0.768 18.225 19.000 -0.012 0.000 1.012 179 A HN 1.295 nan 8.150 nan 0.000 0.500 180 G N 1.546 110.287 108.800 -0.098 0.000 2.601 180 G HA2 -0.151 3.809 3.960 0.001 0.000 0.224 180 G HA3 -0.151 3.809 3.960 0.001 0.000 0.224 180 G C -0.023 174.765 174.900 -0.186 0.000 1.171 180 G CA 0.130 45.159 45.100 -0.117 0.000 1.009 180 G HN 1.050 nan 8.290 nan 0.000 0.589 181 E N 1.422 121.518 120.200 -0.172 0.000 2.290 181 E HA 0.416 4.767 4.350 0.001 0.000 0.277 181 E C -0.332 176.093 176.600 -0.292 0.000 1.035 181 E CA -0.298 55.967 56.400 -0.224 0.000 0.873 181 E CB 0.150 29.762 29.700 -0.146 0.000 1.029 181 E HN 0.410 nan 8.360 nan 0.000 0.419 182 N N 3.540 121.939 118.700 -0.501 0.000 2.229 182 N HA 0.326 5.066 4.740 0.001 0.000 0.298 182 N C -1.131 174.131 175.510 -0.413 0.000 1.114 182 N CA -0.644 52.075 53.050 -0.551 0.000 0.776 182 N CB 2.096 40.026 38.487 -0.928 0.000 1.501 182 N HN 0.376 nan 8.380 nan 0.000 0.474 183 R N 2.001 122.422 120.500 -0.130 0.000 2.480 183 R HA 0.492 4.833 4.340 0.001 0.000 0.306 183 R C -1.116 175.253 176.300 0.116 0.000 0.958 183 R CA -0.510 55.596 56.100 0.010 0.000 0.861 183 R CB 1.032 31.300 30.300 -0.054 0.000 1.171 183 R HN 0.478 nan 8.270 nan 0.000 0.445 184 L N 3.036 124.371 121.223 0.186 0.000 2.325 184 L HA 0.686 5.027 4.340 0.001 0.000 0.279 184 L C -0.225 176.717 176.870 0.120 0.000 1.054 184 L CA -0.779 54.171 54.840 0.183 0.000 0.804 184 L CB 1.929 44.108 42.059 0.200 0.000 1.200 184 L HN 0.697 nan 8.230 nan 0.000 0.436 185 A N 3.249 126.154 122.820 0.141 0.000 2.332 185 A HA 0.732 5.052 4.320 0.001 0.000 0.300 185 A C -0.963 176.921 177.584 0.500 0.000 1.153 185 A CA -0.457 51.589 52.037 0.014 0.000 0.764 185 A CB 1.355 19.894 19.000 -0.768 0.000 1.174 185 A HN 0.382 nan 8.150 nan 0.000 0.467 186 V N 3.704 124.087 119.914 0.782 0.000 2.350 186 V HA 0.396 4.516 4.120 0.001 0.000 0.285 186 V C 0.030 176.669 176.094 0.909 0.000 1.014 186 V CA -0.265 62.494 62.300 0.765 0.000 0.831 186 V CB 1.366 33.475 31.823 0.477 0.000 1.000 186 V HN 0.958 nan 8.190 nan 0.000 0.433 187 M N 6.091 126.244 119.600 0.922 0.000 2.069 187 M HA 0.475 4.955 4.480 0.001 0.000 0.349 187 M C -1.220 175.334 176.300 0.423 0.000 1.194 187 M CA -0.292 55.347 55.300 0.565 0.000 1.081 187 M CB 0.862 33.837 32.600 0.625 0.000 1.500 187 M HN 0.480 nan 8.290 nan 0.000 0.438 188 V N 6.691 126.819 119.914 0.357 0.000 2.394 188 V HA 0.393 4.513 4.120 0.001 0.000 0.282 188 V C -0.183 176.075 176.094 0.273 0.000 1.031 188 V CA -0.655 61.868 62.300 0.372 0.000 0.881 188 V CB 1.472 33.614 31.823 0.532 0.000 0.982 188 V HN 0.762 nan 8.190 nan 0.000 0.451 189 L N 4.797 126.124 121.223 0.173 0.000 2.295 189 L HA 0.538 4.878 4.340 0.001 0.000 0.285 189 L C 1.480 178.388 176.870 0.064 0.000 1.035 189 L CA -0.332 54.539 54.840 0.052 0.000 0.806 189 L CB 1.337 43.325 42.059 -0.118 0.000 1.214 189 L HN 0.600 nan 8.230 nan 0.000 0.426 190 R N 2.761 123.258 120.500 -0.004 0.000 2.073 190 R HA -0.068 4.273 4.340 0.001 0.000 0.234 190 R C -0.419 175.585 176.300 -0.495 0.000 1.134 190 R CA 1.384 57.258 56.100 -0.377 0.000 0.952 190 R CB 0.188 30.137 30.300 -0.584 0.000 0.850 190 R HN 0.573 nan 8.270 nan 0.000 0.433 191 W N 0.270 121.648 121.300 0.131 0.000 2.606 191 W HA 0.419 5.079 4.660 0.001 0.000 0.332 191 W C -0.348 176.299 176.519 0.213 0.000 1.052 191 W CA -0.812 56.617 57.345 0.139 0.000 1.223 191 W CB 1.734 31.276 29.460 0.136 0.000 1.383 191 W HN 0.016 nan 8.180 nan 0.000 0.524 192 S N -0.942 115.048 115.700 0.484 0.000 2.688 192 S HA 0.231 4.702 4.470 0.001 0.000 0.275 192 S C 0.127 174.982 174.600 0.425 0.000 1.175 192 S CA -0.482 58.009 58.200 0.485 0.000 0.818 192 S CB 1.249 64.707 63.200 0.431 0.000 1.157 192 S HN 0.624 nan 8.310 nan 0.000 0.482 193 D N 0.308 120.957 120.400 0.416 0.000 2.263 193 D HA 0.068 4.709 4.640 0.001 0.000 0.208 193 D C 1.755 178.381 176.300 0.544 0.000 0.971 193 D CA 1.134 55.437 54.000 0.504 0.000 0.867 193 D CB -0.672 40.293 40.800 0.275 0.000 0.929 193 D HN 0.692 nan 8.370 nan 0.000 0.492 194 G N 0.145 109.175 108.800 0.384 0.000 2.448 194 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 194 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 194 G C 1.712 176.801 174.900 0.315 0.000 1.127 194 G CA 0.722 46.018 45.100 0.327 0.000 0.766 194 G HN 0.313 nan 8.290 nan 0.000 0.552 195 S N -0.023 115.854 115.700 0.296 0.000 2.399 195 S HA -0.118 4.352 4.470 0.001 0.000 0.231 195 S C 1.914 176.641 174.600 0.211 0.000 1.022 195 S CA 0.828 59.175 58.200 0.245 0.000 0.983 195 S CB -0.420 62.950 63.200 0.283 0.000 0.803 195 S HN 0.563 nan 8.310 nan 0.000 0.480 196 Y N 1.151 121.610 120.300 0.266 0.000 2.403 196 Y HA 0.055 4.605 4.550 0.001 0.000 0.291 196 Y C 1.634 177.625 175.900 0.152 0.000 1.143 196 Y CA 0.634 58.833 58.100 0.164 0.000 1.257 196 Y CB -0.213 38.212 38.460 -0.058 0.000 0.984 196 Y HN 0.197 nan 8.280 nan 0.000 0.550 197 L N -0.496 120.912 121.223 0.308 0.000 2.667 197 L HA 0.125 4.465 4.340 0.001 0.000 0.232 197 L C 0.100 177.096 176.870 0.211 0.000 1.138 197 L CA 0.395 55.370 54.840 0.224 0.000 0.921 197 L CB 0.134 42.335 42.059 0.237 0.000 1.180 197 L HN 0.110 nan 8.230 nan 0.000 0.487 198 E N -0.098 120.236 120.200 0.223 0.000 3.646 198 E HA 0.046 4.396 4.350 0.001 0.000 0.211 198 E C -0.529 176.170 176.600 0.164 0.000 1.034 198 E CA -0.081 56.437 56.400 0.196 0.000 1.341 198 E CB 0.484 30.292 29.700 0.179 0.000 1.202 198 E HN 0.023 nan 8.360 nan 0.000 0.447 199 D N 1.316 121.780 120.400 0.108 0.000 3.072 199 D HA 0.046 4.687 4.640 0.001 0.000 0.250 199 D C -0.345 175.942 176.300 -0.023 0.000 1.304 199 D CA -0.188 53.781 54.000 -0.052 0.000 0.861 199 D CB 0.060 40.657 40.800 -0.340 0.000 1.062 199 D HN 0.030 nan 8.370 nan 0.000 0.481 200 Q N 0.414 120.276 119.800 0.103 0.000 2.373 200 Q HA 0.170 4.510 4.340 0.001 0.000 0.255 200 Q C -0.279 175.777 176.000 0.094 0.000 0.980 200 Q CA -0.019 55.899 55.803 0.191 0.000 0.882 200 Q CB 0.756 29.758 28.738 0.441 0.000 1.249 200 Q HN 0.104 nan 8.270 nan 0.000 0.438 201 D N 2.968 123.427 120.400 0.098 0.000 2.402 201 D HA 0.256 4.896 4.640 0.001 0.000 0.235 201 D C -0.670 175.674 176.300 0.073 0.000 1.226 201 D CA 0.043 54.037 54.000 -0.010 0.000 0.918 201 D CB -0.227 40.557 40.800 -0.026 0.000 1.043 201 D HN 0.505 nan 8.370 nan 0.000 0.506 202 M N 0.569 120.179 119.600 0.017 0.000 3.604 202 M HA 0.433 4.914 4.480 0.001 0.000 0.301 202 M C -1.297 175.072 176.300 0.115 0.000 1.414 202 M CA -1.151 54.192 55.300 0.071 0.000 0.860 202 M CB 1.049 33.636 32.600 -0.021 0.000 1.797 202 M HN -0.046 nan 8.290 nan 0.000 0.489 203 W N 2.097 123.507 121.300 0.183 0.000 2.253 203 W HA 0.406 5.067 4.660 0.001 0.000 0.322 203 W C 0.209 176.730 176.519 0.003 0.000 1.342 203 W CA -0.166 57.249 57.345 0.118 0.000 1.218 203 W CB 0.324 29.788 29.460 0.006 0.000 1.205 203 W HN 0.234 nan 8.180 nan 0.000 0.551 204 R N 4.835 125.465 120.500 0.216 0.000 2.325 204 R HA 0.285 4.625 4.340 0.001 0.000 0.323 204 R C -0.179 176.082 176.300 -0.066 0.000 1.177 204 R CA 0.014 56.155 56.100 0.069 0.000 1.018 204 R CB -0.364 30.028 30.300 0.153 0.000 1.070 204 R HN 0.548 nan 8.270 nan 0.000 0.495 205 M N 0.393 119.873 119.600 -0.201 0.000 2.762 205 M HA 0.462 4.942 4.480 0.001 0.000 0.306 205 M C 0.144 176.102 176.300 -0.569 0.000 1.223 205 M CA -0.666 54.407 55.300 -0.378 0.000 0.896 205 M CB 2.251 34.632 32.600 -0.364 0.000 1.684 205 M HN 0.480 nan 8.290 nan 0.000 0.491 206 S N -0.827 114.392 115.700 -0.802 0.000 2.625 206 S HA 1.001 5.471 4.470 0.001 0.000 0.271 206 S C -0.452 173.605 174.600 -0.904 0.000 1.161 206 S CA -0.289 57.350 58.200 -0.936 0.000 0.820 206 S CB 1.922 64.393 63.200 -1.215 0.000 1.137 206 S HN 1.331 nan 8.310 nan 0.000 0.470 207 G N -0.039 108.486 108.800 -0.458 0.000 2.373 207 G HA2 0.105 4.065 3.960 0.001 0.000 0.634 207 G HA3 0.105 4.065 3.960 0.001 0.000 0.634 207 G C -1.340 173.538 174.900 -0.036 0.000 1.267 207 G CA -0.668 44.468 45.100 0.060 0.000 1.008 207 G HN 1.048 nan 8.290 nan 0.000 0.497 208 I N 2.002 122.368 120.570 -0.339 0.000 2.256 208 I HA 0.298 4.469 4.170 0.001 0.000 0.294 208 I C 1.162 177.130 176.117 -0.249 0.000 1.127 208 I CA -0.170 60.862 61.300 -0.447 0.000 1.247 208 I CB -0.225 37.265 38.000 -0.850 0.000 1.460 208 I HN 0.518 nan 8.210 nan 0.000 0.511 209 F N 4.010 123.801 119.950 -0.265 0.000 2.695 209 F HA 0.472 4.999 4.527 0.001 0.000 0.303 209 F C 0.749 176.466 175.800 -0.139 0.000 1.091 209 F CA -0.574 57.307 58.000 -0.198 0.000 1.300 209 F CB 0.117 39.003 39.000 -0.190 0.000 1.071 209 F HN 0.131 nan 8.300 nan 0.000 0.578 210 R N 0.590 120.680 120.500 -0.683 0.000 2.939 210 R HA 0.241 4.581 4.340 0.001 0.000 0.254 210 R C -0.682 175.419 176.300 -0.331 0.000 1.123 210 R CA -1.150 54.666 56.100 -0.473 0.000 1.020 210 R CB 0.728 30.651 30.300 -0.629 0.000 1.206 210 R HN -0.027 nan 8.270 nan 0.000 0.491 211 D N 0.843 121.097 120.400 -0.242 0.000 2.478 211 D HA 0.070 4.711 4.640 0.001 0.000 0.234 211 D C -0.442 175.717 176.300 -0.236 0.000 1.154 211 D CA 0.500 54.388 54.000 -0.187 0.000 0.874 211 D CB 0.742 41.465 40.800 -0.128 0.000 1.198 211 D HN -0.012 nan 8.370 nan 0.000 0.455 212 V N 1.147 120.928 119.914 -0.222 0.000 2.495 212 V HA 0.531 4.652 4.120 0.001 0.000 0.298 212 V C 0.148 176.118 176.094 -0.206 0.000 1.031 212 V CA -0.567 61.546 62.300 -0.312 0.000 0.871 212 V CB 1.655 33.297 31.823 -0.301 0.000 0.988 212 V HN 0.746 nan 8.190 nan 0.000 0.432 213 S N 4.602 120.160 115.700 -0.236 0.000 2.618 213 S HA 0.824 5.294 4.470 0.001 0.000 0.277 213 S C -1.300 173.246 174.600 -0.091 0.000 1.138 213 S CA -0.905 57.222 58.200 -0.121 0.000 0.844 213 S CB 1.820 64.985 63.200 -0.059 0.000 1.127 213 S HN 0.468 nan 8.310 nan 0.000 0.474 214 L N 1.604 122.833 121.223 0.011 0.000 2.322 214 L HA 0.658 4.999 4.340 0.001 0.000 0.281 214 L C -1.271 175.768 176.870 0.282 0.000 1.014 214 L CA -0.905 54.025 54.840 0.150 0.000 0.815 214 L CB 1.671 43.836 42.059 0.177 0.000 1.247 214 L HN 0.690 nan 8.230 nan 0.000 0.421 215 L N 3.571 124.944 121.223 0.248 0.000 2.349 215 L HA 0.431 4.771 4.340 0.001 0.000 0.278 215 L C -0.598 176.325 176.870 0.088 0.000 0.996 215 L CA -0.131 54.805 54.840 0.160 0.000 0.825 215 L CB 1.257 43.372 42.059 0.093 0.000 1.243 215 L HN 0.471 nan 8.230 nan 0.000 0.412 216 H N 5.594 124.509 119.070 -0.259 0.000 2.519 216 H HA 0.450 5.007 4.556 0.001 0.000 0.316 216 H C -1.183 173.957 175.328 -0.313 0.000 1.065 216 H CA -0.495 55.279 56.048 -0.456 0.000 1.264 216 H CB 0.999 30.036 29.762 -1.208 0.000 1.413 216 H HN 0.542 nan 8.280 nan 0.000 0.465 217 K N 5.586 125.649 120.400 -0.560 0.000 2.267 217 K HA 0.374 4.695 4.320 0.001 0.000 0.246 217 K C -2.665 173.667 176.600 -0.446 0.000 0.954 217 K CA -2.029 54.034 56.287 -0.373 0.000 0.824 217 K CB 1.995 34.342 32.500 -0.255 0.000 1.167 217 K HN 0.470 nan 8.250 nan 0.000 0.431 218 P HA 0.125 nan 4.420 nan 0.000 0.273 218 P C 0.495 177.712 177.300 -0.139 0.000 1.250 218 P CA -0.139 62.878 63.100 -0.138 0.000 0.793 218 P CB 0.428 32.093 31.700 -0.059 0.000 1.011 219 T N -1.501 113.000 114.554 -0.089 0.000 2.777 219 T HA -0.041 4.310 4.350 0.001 0.000 0.266 219 T C 0.546 175.203 174.700 -0.073 0.000 1.040 219 T CA 1.485 63.541 62.100 -0.074 0.000 1.141 219 T CB -0.688 68.154 68.868 -0.043 0.000 0.868 219 T HN 0.425 nan 8.240 nan 0.000 0.444 220 T N 3.997 118.515 114.554 -0.059 0.000 2.723 220 T HA 0.398 4.749 4.350 0.001 0.000 0.297 220 T C -0.172 174.486 174.700 -0.070 0.000 0.925 220 T CA -0.520 61.540 62.100 -0.066 0.000 1.030 220 T CB 0.256 69.103 68.868 -0.035 0.000 0.905 220 T HN 0.498 nan 8.240 nan 0.000 0.502 221 Q N 2.313 122.055 119.800 -0.096 0.000 2.416 221 Q HA 0.605 4.946 4.340 0.001 0.000 0.281 221 Q C -1.198 174.736 176.000 -0.110 0.000 1.067 221 Q CA -1.167 54.565 55.803 -0.117 0.000 0.809 221 Q CB 1.380 30.026 28.738 -0.153 0.000 1.418 221 Q HN 0.479 nan 8.270 nan 0.000 0.411 222 I N 2.657 123.139 120.570 -0.147 0.000 2.505 222 I HA -0.004 4.166 4.170 0.001 0.000 0.287 222 I C 0.889 176.884 176.117 -0.203 0.000 1.104 222 I CA 0.104 61.325 61.300 -0.131 0.000 1.387 222 I CB 0.885 38.781 38.000 -0.175 0.000 1.404 222 I HN 0.893 nan 8.210 nan 0.000 0.528 223 S N 2.606 118.300 115.700 -0.011 0.000 2.492 223 S HA 0.170 4.641 4.470 0.001 0.000 0.218 223 S C 0.267 175.068 174.600 0.335 0.000 1.016 223 S CA -0.168 58.094 58.200 0.104 0.000 0.916 223 S CB 0.300 63.523 63.200 0.039 0.000 0.791 223 S HN 0.701 nan 8.310 nan 0.000 0.513 224 D N -0.248 120.337 120.400 0.307 0.000 2.663 224 D HA 0.550 5.190 4.640 0.001 0.000 0.233 224 D C -1.852 174.597 176.300 0.248 0.000 1.240 224 D CA -0.720 53.442 54.000 0.270 0.000 0.774 224 D CB 1.888 42.723 40.800 0.059 0.000 1.443 224 D HN 0.227 nan 8.370 nan 0.000 0.441 225 F N -0.447 119.524 119.950 0.035 0.000 2.628 225 F HA 0.617 5.144 4.527 0.001 0.000 0.309 225 F C -1.464 174.337 175.800 0.002 0.000 1.108 225 F CA -0.801 57.155 58.000 -0.073 0.000 0.971 225 F CB 1.229 40.255 39.000 0.043 0.000 1.279 225 F HN 0.230 nan 8.300 nan 0.000 0.441 226 H N 1.732 120.872 119.070 0.117 0.000 2.538 226 H HA 0.749 5.306 4.556 0.001 0.000 0.353 226 H C -1.269 174.103 175.328 0.074 0.000 1.109 226 H CA -1.518 54.536 56.048 0.010 0.000 1.192 226 H CB 2.585 32.334 29.762 -0.022 0.000 1.555 226 H HN 0.611 nan 8.280 nan 0.000 0.518 227 V N 2.323 122.332 119.914 0.158 0.000 2.409 227 V HA 0.614 4.734 4.120 0.001 0.000 0.291 227 V C -0.172 175.914 176.094 -0.013 0.000 1.020 227 V CA -0.583 61.759 62.300 0.071 0.000 0.848 227 V CB 1.149 33.008 31.823 0.058 0.000 0.990 227 V HN 0.927 nan 8.190 nan 0.000 0.430 228 A N 3.456 126.249 122.820 -0.046 0.000 2.355 228 A HA 0.934 5.255 4.320 0.001 0.000 0.324 228 A C 0.005 177.483 177.584 -0.177 0.000 1.117 228 A CA -0.529 51.456 52.037 -0.086 0.000 0.785 228 A CB 1.740 20.711 19.000 -0.049 0.000 1.254 228 A HN 0.907 nan 8.150 nan 0.000 0.453 229 T N 0.031 114.454 114.554 -0.218 0.000 2.847 229 T HA 0.701 5.052 4.350 0.001 0.000 0.291 229 T C -0.427 174.028 174.700 -0.409 0.000 0.998 229 T CA -0.639 61.228 62.100 -0.388 0.000 0.967 229 T CB 0.884 69.412 68.868 -0.566 0.000 0.954 229 T HN 0.679 nan 8.240 nan 0.000 0.441 230 R N 1.941 122.154 120.500 -0.477 0.000 2.732 230 R HA 0.801 5.141 4.340 0.001 0.000 0.278 230 R C -1.141 174.802 176.300 -0.595 0.000 0.976 230 R CA -0.778 55.112 56.100 -0.351 0.000 0.963 230 R CB 1.486 31.700 30.300 -0.143 0.000 1.150 230 R HN 0.578 nan 8.270 nan 0.000 0.478 231 F N 0.312 120.249 119.950 -0.023 0.000 2.603 231 F HA 0.330 4.857 4.527 0.001 0.000 0.317 231 F C 0.471 176.141 175.800 -0.217 0.000 1.066 231 F CA -1.140 56.790 58.000 -0.116 0.000 0.941 231 F CB 1.118 39.976 39.000 -0.237 0.000 1.291 231 F HN 0.538 nan 8.300 nan 0.000 0.472 232 N N -0.034 118.650 118.700 -0.026 0.000 2.366 232 N HA 0.059 4.800 4.740 0.001 0.000 0.277 232 N C 0.416 175.779 175.510 -0.246 0.000 1.275 232 N CA -0.133 52.859 53.050 -0.097 0.000 0.964 232 N CB 0.107 38.570 38.487 -0.041 0.000 1.167 232 N HN 0.669 nan 8.380 nan 0.000 0.568 233 D N -1.310 118.997 120.400 -0.155 0.000 2.149 233 D HA -0.231 4.410 4.640 0.001 0.000 0.198 233 D C 0.462 176.682 176.300 -0.133 0.000 0.990 233 D CA 1.568 55.479 54.000 -0.149 0.000 0.839 233 D CB -0.518 40.254 40.800 -0.046 0.000 0.948 233 D HN 0.742 nan 8.370 nan 0.000 0.460 234 D N -1.328 119.044 120.400 -0.046 0.000 2.424 234 D HA 0.000 4.641 4.640 0.001 0.000 0.220 234 D C 0.063 176.520 176.300 0.262 0.000 1.150 234 D CA -0.932 53.145 54.000 0.129 0.000 0.831 234 D CB -0.966 39.899 40.800 0.109 0.000 0.981 234 D HN 0.211 nan 8.370 nan 0.000 0.500 235 F N 0.453 120.447 119.950 0.073 0.000 3.034 235 F HA -0.295 4.232 4.527 0.001 0.000 0.286 235 F C 1.698 177.566 175.800 0.114 0.000 0.804 235 F CA 0.841 58.892 58.000 0.085 0.000 1.161 235 F CB -2.499 36.446 39.000 -0.093 0.000 1.317 235 F HN 0.218 nan 8.300 nan 0.000 0.453 236 S N -1.194 114.618 115.700 0.187 0.000 2.528 236 S HA 0.229 4.699 4.470 0.001 0.000 0.219 236 S C 0.700 175.359 174.600 0.097 0.000 0.985 236 S CA 0.032 58.308 58.200 0.127 0.000 0.914 236 S CB 0.378 63.628 63.200 0.083 0.000 0.776 236 S HN 0.451 nan 8.310 nan 0.000 0.526 237 R N 0.266 120.832 120.500 0.109 0.000 2.686 237 R HA 0.804 5.144 4.340 0.001 0.000 0.283 237 R C -1.331 175.021 176.300 0.086 0.000 0.978 237 R CA -0.339 55.798 56.100 0.061 0.000 0.897 237 R CB 2.261 32.571 30.300 0.018 0.000 1.192 237 R HN 0.260 nan 8.270 nan 0.000 0.457 238 A N 1.709 124.527 122.820 -0.003 0.000 2.498 238 A HA 0.703 5.024 4.320 0.001 0.000 0.298 238 A C -1.258 176.264 177.584 -0.104 0.000 1.075 238 A CA -0.661 51.306 52.037 -0.116 0.000 0.714 238 A CB 1.994 20.931 19.000 -0.105 0.000 1.299 238 A HN 0.354 nan 8.150 nan 0.000 0.407 239 V N 1.982 121.800 119.914 -0.159 0.000 2.444 239 V HA 0.421 4.541 4.120 0.001 0.000 0.294 239 V C -0.376 175.651 176.094 -0.111 0.000 1.022 239 V CA -0.349 61.891 62.300 -0.100 0.000 0.850 239 V CB 1.334 33.102 31.823 -0.093 0.000 0.992 239 V HN 0.803 nan 8.190 nan 0.000 0.426 240 L N 4.540 125.735 121.223 -0.046 0.000 2.265 240 L HA 0.564 4.905 4.340 0.001 0.000 0.288 240 L C 0.121 176.948 176.870 -0.072 0.000 1.058 240 L CA 0.065 54.850 54.840 -0.092 0.000 0.809 240 L CB 0.946 42.973 42.059 -0.054 0.000 1.179 240 L HN 0.790 nan 8.230 nan 0.000 0.429 241 E N 4.515 124.668 120.200 -0.078 0.000 2.145 241 E HA 0.620 4.971 4.350 0.001 0.000 0.270 241 E C -1.323 175.268 176.600 -0.015 0.000 0.906 241 E CA -0.754 55.621 56.400 -0.043 0.000 0.761 241 E CB 1.581 31.257 29.700 -0.041 0.000 1.116 241 E HN 0.713 nan 8.360 nan 0.000 0.408 242 A N 4.839 127.659 122.820 -0.000 0.000 2.323 242 A HA 0.259 4.579 4.320 0.001 0.000 0.305 242 A C -0.574 177.027 177.584 0.027 0.000 1.275 242 A CA -0.655 51.405 52.037 0.037 0.000 0.804 242 A CB 0.913 19.933 19.000 0.033 0.000 1.152 242 A HN 0.745 nan 8.150 nan 0.000 0.487 243 E N 2.613 122.838 120.200 0.040 0.000 2.194 243 E HA 0.482 4.832 4.350 0.001 0.000 0.284 243 E C -1.211 175.378 176.600 -0.017 0.000 1.035 243 E CA -0.265 56.129 56.400 -0.010 0.000 0.836 243 E CB 0.919 30.601 29.700 -0.031 0.000 1.070 243 E HN 0.375 nan 8.360 nan 0.000 0.401 244 V N 5.199 125.116 119.914 0.006 0.000 2.448 244 V HA 0.256 4.377 4.120 0.001 0.000 0.295 244 V C -0.334 175.831 176.094 0.119 0.000 1.025 244 V CA -0.782 61.560 62.300 0.069 0.000 0.859 244 V CB 1.561 33.406 31.823 0.037 0.000 0.988 244 V HN 0.735 nan 8.190 nan 0.000 0.431 245 Q N 4.234 124.091 119.800 0.095 0.000 2.306 245 Q HA 0.820 5.161 4.340 0.001 0.000 0.265 245 Q C -0.681 175.362 176.000 0.071 0.000 1.022 245 Q CA -0.843 55.001 55.803 0.068 0.000 0.853 245 Q CB 2.576 31.294 28.738 -0.032 0.000 1.327 245 Q HN 0.820 nan 8.270 nan 0.000 0.449 246 M N -0.814 118.745 119.600 -0.067 0.000 2.662 246 M HA 0.739 5.220 4.480 0.001 0.000 0.310 246 M C -1.412 174.780 176.300 -0.181 0.000 1.204 246 M CA -0.443 54.745 55.300 -0.187 0.000 0.891 246 M CB 1.670 33.943 32.600 -0.545 0.000 1.732 246 M HN 0.520 nan 8.290 nan 0.000 0.467 247 C N 1.083 120.294 119.300 -0.149 0.000 2.707 247 C HA 1.036 5.497 4.460 0.001 0.000 0.313 247 C C 0.623 175.534 174.990 -0.132 0.000 1.209 247 C CA 0.562 59.508 59.018 -0.121 0.000 1.635 247 C CB 1.037 28.734 27.740 -0.072 0.000 2.206 247 C HN 1.420 nan 8.230 nan 0.000 0.485 248 G N 1.612 110.345 108.800 -0.111 0.000 2.409 248 G HA2 -0.005 3.956 3.960 0.001 0.000 0.421 248 G HA3 -0.005 3.956 3.960 0.001 0.000 0.421 248 G C -0.994 173.836 174.900 -0.116 0.000 1.259 248 G CA -0.512 44.528 45.100 -0.100 0.000 1.011 248 G HN 0.931 nan 8.290 nan 0.000 0.497 249 E N -0.148 119.993 120.200 -0.098 0.000 2.257 249 E HA 0.436 4.787 4.350 0.001 0.000 0.278 249 E C 0.387 176.896 176.600 -0.151 0.000 1.049 249 E CA -0.478 55.862 56.400 -0.100 0.000 0.876 249 E CB 0.302 29.964 29.700 -0.062 0.000 1.035 249 E HN 0.448 nan 8.360 nan 0.000 0.419 250 L N 5.577 126.700 121.223 -0.166 0.000 2.360 250 L HA 0.260 4.600 4.340 0.001 0.000 0.276 250 L C 0.365 177.114 176.870 -0.202 0.000 1.121 250 L CA -0.018 54.701 54.840 -0.201 0.000 0.845 250 L CB 0.324 42.280 42.059 -0.171 0.000 1.143 250 L HN 0.427 nan 8.230 nan 0.000 0.452 251 R N 1.956 122.279 120.500 -0.294 0.000 2.744 251 R HA 0.229 4.569 4.340 0.001 0.000 0.279 251 R C -0.130 175.930 176.300 -0.400 0.000 0.977 251 R CA -0.836 54.991 56.100 -0.455 0.000 0.906 251 R CB 1.590 31.297 30.300 -0.989 0.000 1.197 251 R HN 0.497 nan 8.270 nan 0.000 0.463 252 D N 1.054 121.294 120.400 -0.267 0.000 2.218 252 D HA -0.144 4.496 4.640 0.001 0.000 0.204 252 D C 1.556 177.819 176.300 -0.062 0.000 0.976 252 D CA 1.604 55.541 54.000 -0.105 0.000 0.853 252 D CB 0.090 40.879 40.800 -0.019 0.000 0.939 252 D HN 0.591 nan 8.370 nan 0.000 0.481 253 Y N 0.117 120.430 120.300 0.022 0.000 2.616 253 Y HA 0.200 4.750 4.550 0.001 0.000 0.296 253 Y C 0.833 176.737 175.900 0.007 0.000 1.154 253 Y CA -0.336 57.773 58.100 0.015 0.000 1.325 253 Y CB -0.930 37.540 38.460 0.017 0.000 1.007 253 Y HN -0.182 nan 8.280 nan 0.000 0.542 254 L N 2.833 124.001 121.223 -0.091 0.000 2.456 254 L HA 0.252 4.593 4.340 0.001 0.000 0.272 254 L C 0.201 177.037 176.870 -0.057 0.000 1.189 254 L CA 0.064 54.909 54.840 0.008 0.000 0.846 254 L CB 0.426 42.528 42.059 0.072 0.000 1.111 254 L HN 0.203 nan 8.230 nan 0.000 0.475 255 R N 2.122 122.478 120.500 -0.239 0.000 2.774 255 R HA 0.666 5.006 4.340 0.001 0.000 0.272 255 R C -1.459 174.464 176.300 -0.630 0.000 1.000 255 R CA -0.810 54.998 56.100 -0.487 0.000 0.906 255 R CB 2.229 32.162 30.300 -0.611 0.000 1.227 255 R HN 0.265 nan 8.270 nan 0.000 0.468 256 V N 1.171 120.759 119.914 -0.543 0.000 2.487 256 V HA 0.453 4.574 4.120 0.001 0.000 0.298 256 V C -0.281 175.734 176.094 -0.131 0.000 1.028 256 V CA -0.590 61.495 62.300 -0.359 0.000 0.860 256 V CB 2.196 33.750 31.823 -0.448 0.000 0.991 256 V HN 0.707 nan 8.190 nan 0.000 0.427 257 T N 4.233 118.827 114.554 0.067 0.000 2.779 257 T HA 0.568 4.918 4.350 0.001 0.000 0.280 257 T C -0.435 174.275 174.700 0.015 0.000 0.987 257 T CA -0.352 61.802 62.100 0.090 0.000 0.966 257 T CB 1.588 70.560 68.868 0.173 0.000 0.933 257 T HN 0.340 nan 8.240 nan 0.000 0.442 258 V N 3.176 123.080 119.914 -0.016 0.000 2.370 258 V HA 0.625 4.746 4.120 0.001 0.000 0.283 258 V C 0.162 176.251 176.094 -0.008 0.000 1.023 258 V CA -0.576 61.712 62.300 -0.019 0.000 0.857 258 V CB 1.646 33.448 31.823 -0.036 0.000 0.985 258 V HN 0.888 nan 8.190 nan 0.000 0.443 259 S N 4.796 120.514 115.700 0.031 0.000 2.503 259 S HA 0.809 5.280 4.470 0.001 0.000 0.301 259 S C -1.140 173.483 174.600 0.039 0.000 1.087 259 S CA -0.530 57.667 58.200 -0.004 0.000 1.042 259 S CB 1.439 64.701 63.200 0.103 0.000 1.043 259 S HN 0.578 nan 8.310 nan 0.000 0.489 260 L N 4.692 125.846 121.223 -0.116 0.000 2.341 260 L HA 0.796 5.137 4.340 0.001 0.000 0.278 260 L C -1.925 174.886 176.870 -0.099 0.000 1.005 260 L CA -0.233 54.629 54.840 0.037 0.000 0.818 260 L CB 1.239 43.336 42.059 0.063 0.000 1.259 260 L HN 0.817 nan 8.230 nan 0.000 0.418 261 W N 3.412 124.821 121.300 0.182 0.000 2.702 261 W HA 0.600 5.260 4.660 0.001 0.000 0.331 261 W C -0.710 175.915 176.519 0.176 0.000 1.049 261 W CA -0.529 56.900 57.345 0.140 0.000 1.230 261 W CB 1.588 31.079 29.460 0.052 0.000 1.408 261 W HN 0.380 nan 8.180 nan 0.000 0.492 262 Q N 2.442 122.406 119.800 0.274 0.000 2.462 262 Q HA 0.540 4.880 4.340 0.001 0.000 0.247 262 Q C 0.614 176.645 176.000 0.053 0.000 1.044 262 Q CA 0.520 56.313 55.803 -0.015 0.000 0.803 262 Q CB 0.708 29.354 28.738 -0.154 0.000 1.190 262 Q HN 0.751 nan 8.270 nan 0.000 0.507 263 G N 3.959 112.787 108.800 0.046 0.000 2.596 263 G HA2 -0.427 3.533 3.960 0.001 0.000 0.304 263 G HA3 -0.427 3.533 3.960 0.001 0.000 0.304 263 G C 0.466 175.437 174.900 0.119 0.000 1.189 263 G CA 0.531 45.659 45.100 0.047 0.000 0.986 263 G HN 0.786 nan 8.290 nan 0.000 0.548 264 E N -0.155 120.114 120.200 0.117 0.000 2.479 264 E HA 0.342 4.692 4.350 0.001 0.000 0.193 264 E C 0.386 177.203 176.600 0.361 0.000 1.049 264 E CA 0.757 57.257 56.400 0.167 0.000 0.870 264 E CB 0.123 29.863 29.700 0.067 0.000 0.944 264 E HN 0.375 nan 8.360 nan 0.000 0.492 265 T N 1.620 116.360 114.554 0.310 0.000 2.749 265 T HA 0.090 4.440 4.350 0.001 0.000 0.287 265 T C -0.619 174.125 174.700 0.074 0.000 0.970 265 T CA -0.563 61.650 62.100 0.188 0.000 0.980 265 T CB 1.525 70.438 68.868 0.075 0.000 0.924 265 T HN 0.154 nan 8.240 nan 0.000 0.456 266 Q N 3.100 122.687 119.800 -0.354 0.000 2.296 266 Q HA 0.238 4.579 4.340 0.001 0.000 0.263 266 Q C 1.022 176.779 176.000 -0.405 0.000 1.026 266 Q CA -0.418 54.838 55.803 -0.911 0.000 0.912 266 Q CB 0.688 28.576 28.738 -1.416 0.000 1.198 266 Q HN 0.722 nan 8.270 nan 0.000 0.407 267 V N 1.125 120.879 119.914 -0.267 0.000 3.174 267 V HA 0.540 4.660 4.120 0.001 0.000 0.254 267 V C 0.335 176.345 176.094 -0.140 0.000 1.120 267 V CA 0.772 63.001 62.300 -0.119 0.000 1.114 267 V CB 0.070 31.907 31.823 0.024 0.000 0.756 267 V HN 0.630 nan 8.190 nan 0.000 0.467 268 A N -0.852 121.853 122.820 -0.191 0.000 2.604 268 A HA 0.817 5.137 4.320 0.001 0.000 0.295 268 A C -0.695 176.783 177.584 -0.177 0.000 1.067 268 A CA 0.182 52.130 52.037 -0.149 0.000 0.683 268 A CB 1.715 20.658 19.000 -0.095 0.000 1.281 268 A HN 0.510 nan 8.150 nan 0.000 0.407 269 S N -0.859 114.764 115.700 -0.129 0.000 2.537 269 S HA 0.809 5.280 4.470 0.001 0.000 0.270 269 S C -0.590 173.969 174.600 -0.069 0.000 1.142 269 S CA 0.189 58.325 58.200 -0.106 0.000 0.870 269 S CB 1.763 64.890 63.200 -0.122 0.000 1.112 269 S HN 2.244 nan 8.310 nan 0.000 0.466 270 G N 1.701 110.471 108.800 -0.051 0.000 2.731 270 G HA2 0.618 4.578 3.960 0.001 0.000 0.298 270 G HA3 0.618 4.578 3.960 0.001 0.000 0.298 270 G C -1.383 173.498 174.900 -0.031 0.000 1.424 270 G CA -0.390 44.684 45.100 -0.042 0.000 1.029 270 G HN 0.672 nan 8.290 nan 0.000 0.518 271 T N 0.097 114.634 114.554 -0.027 0.000 2.876 271 T HA 0.844 5.194 4.350 0.001 0.000 0.289 271 T C -0.294 174.370 174.700 -0.059 0.000 1.014 271 T CA -0.155 61.933 62.100 -0.019 0.000 0.986 271 T CB 1.838 70.728 68.868 0.037 0.000 1.021 271 T HN 1.459 nan 8.240 nan 0.000 0.458 272 A N 3.708 126.458 122.820 -0.116 0.000 2.574 272 A HA 0.897 5.218 4.320 0.001 0.000 0.297 272 A C -3.035 174.412 177.584 -0.228 0.000 1.062 272 A CA -1.655 50.297 52.037 -0.141 0.000 0.686 272 A CB 1.366 20.286 19.000 -0.135 0.000 1.285 272 A HN 0.536 nan 8.150 nan 0.000 0.403 273 P HA 0.451 nan 4.420 nan 0.000 0.276 273 P C -0.521 176.653 177.300 -0.209 0.000 1.261 273 P CA -0.191 62.804 63.100 -0.174 0.000 0.800 273 P CB 0.363 32.028 31.700 -0.058 0.000 1.066 274 F N -0.326 119.584 119.950 -0.066 0.000 2.450 274 F HA 0.455 4.983 4.527 0.001 0.000 0.339 274 F C 1.485 177.268 175.800 -0.029 0.000 1.146 274 F CA 1.454 59.425 58.000 -0.049 0.000 1.267 274 F CB 0.272 39.237 39.000 -0.059 0.000 1.178 274 F HN 0.580 nan 8.300 nan 0.000 0.585 275 G N 1.701 110.630 108.800 0.216 0.000 2.781 275 G HA2 0.314 4.275 3.960 0.001 0.000 0.468 275 G HA3 0.314 4.275 3.960 0.001 0.000 0.468 275 G C -0.405 174.551 174.900 0.094 0.000 1.186 275 G CA -0.759 44.417 45.100 0.126 0.000 1.220 275 G HN 1.050 nan 8.290 nan 0.000 0.564 276 G N 0.678 109.553 108.800 0.125 0.000 2.616 276 G HA2 0.662 4.623 3.960 0.001 0.000 0.268 276 G HA3 0.662 4.623 3.960 0.001 0.000 0.268 276 G C 0.514 175.461 174.900 0.078 0.000 1.213 276 G CA 0.041 45.205 45.100 0.106 0.000 0.926 276 G HN 1.195 nan 8.290 nan 0.000 0.523 277 E N -0.823 119.416 120.200 0.064 0.000 2.418 277 E HA 0.127 4.478 4.350 0.001 0.000 0.261 277 E C -0.178 176.450 176.600 0.046 0.000 1.070 277 E CA -0.432 55.994 56.400 0.044 0.000 0.931 277 E CB 0.753 30.474 29.700 0.035 0.000 0.954 277 E HN 0.309 nan 8.360 nan 0.000 0.439 278 I N 2.617 123.202 120.570 0.024 0.000 2.683 278 I HA -0.092 4.078 4.170 0.001 0.000 0.286 278 I C 1.087 177.214 176.117 0.017 0.000 1.175 278 I CA 0.464 61.770 61.300 0.010 0.000 1.429 278 I CB 0.118 38.119 38.000 0.001 0.000 1.371 278 I HN 0.637 nan 8.210 nan 0.000 0.569 279 I N 1.198 121.773 120.570 0.008 0.000 4.244 279 I HA 0.318 4.489 4.170 0.001 0.000 0.318 279 I C -0.055 176.063 176.117 0.001 0.000 1.282 279 I CA -0.035 61.276 61.300 0.020 0.000 1.276 279 I CB 0.368 38.403 38.000 0.059 0.000 1.183 279 I HN 0.600 nan 8.210 nan 0.000 0.431 280 D N -0.103 120.284 120.400 -0.021 0.000 3.057 280 D HA 0.207 4.847 4.640 0.001 0.000 0.328 280 D C 0.365 176.649 176.300 -0.026 0.000 1.317 280 D CA -0.487 53.500 54.000 -0.021 0.000 0.973 280 D CB 0.458 41.243 40.800 -0.024 0.000 1.424 280 D HN -0.131 nan 8.370 nan 0.000 0.569 281 E N -1.099 119.087 120.200 -0.024 0.000 2.268 281 E HA 0.006 4.356 4.350 0.001 0.000 0.195 281 E C 1.307 177.888 176.600 -0.032 0.000 0.995 281 E CA 0.822 57.209 56.400 -0.023 0.000 0.836 281 E CB 0.009 29.698 29.700 -0.018 0.000 0.763 281 E HN 0.184 nan 8.360 nan 0.000 0.491 282 R N -0.140 120.332 120.500 -0.046 0.000 2.334 282 R HA 0.268 4.609 4.340 0.001 0.000 0.220 282 R C 0.860 177.118 176.300 -0.070 0.000 0.917 282 R CA 0.683 56.748 56.100 -0.058 0.000 1.073 282 R CB 0.251 30.509 30.300 -0.070 0.000 1.056 282 R HN 0.222 nan 8.270 nan 0.000 0.506 283 G N -0.504 108.259 108.800 -0.062 0.000 2.516 283 G HA2 -0.179 3.782 3.960 0.001 0.000 0.220 283 G HA3 -0.179 3.782 3.960 0.001 0.000 0.220 283 G C -0.012 174.841 174.900 -0.079 0.000 1.165 283 G CA -0.538 44.528 45.100 -0.058 0.000 1.013 283 G HN 0.556 nan 8.290 nan 0.000 0.590 284 G N -2.138 106.611 108.800 -0.086 0.000 2.975 284 G HA2 0.643 4.603 3.960 0.001 0.000 0.291 284 G HA3 0.643 4.603 3.960 0.001 0.000 0.291 284 G C -1.544 173.266 174.900 -0.150 0.000 1.334 284 G CA -0.595 44.451 45.100 -0.089 0.000 0.843 284 G HN 0.822 nan 8.290 nan 0.000 0.548 285 Y N 1.100 121.410 120.300 0.017 0.000 2.452 285 Y HA 0.422 4.972 4.550 0.001 0.000 0.348 285 Y C 1.467 177.384 175.900 0.027 0.000 0.985 285 Y CA 0.253 58.364 58.100 0.018 0.000 1.214 285 Y CB 1.722 40.198 38.460 0.027 0.000 1.136 285 Y HN 0.545 nan 8.280 nan 0.000 0.523 286 A N 1.941 124.828 122.820 0.112 0.000 2.066 286 A HA -0.131 4.190 4.320 0.001 0.000 0.218 286 A C 1.445 179.068 177.584 0.064 0.000 1.157 286 A CA 1.370 53.451 52.037 0.074 0.000 0.670 286 A CB -0.230 18.776 19.000 0.010 0.000 0.804 286 A HN 0.802 nan 8.150 nan 0.000 0.453 287 D N -0.917 119.515 120.400 0.053 0.000 2.358 287 D HA 0.122 4.762 4.640 0.001 0.000 0.224 287 D C 0.451 176.758 176.300 0.012 0.000 1.123 287 D CA -0.043 53.885 54.000 -0.119 0.000 0.833 287 D CB -0.005 40.728 40.800 -0.112 0.000 0.946 287 D HN 0.356 nan 8.370 nan 0.000 0.505 288 R N -0.574 120.073 120.500 0.245 0.000 2.837 288 R HA 0.722 5.062 4.340 0.001 0.000 0.271 288 R C -1.575 174.904 176.300 0.299 0.000 0.993 288 R CA -1.075 55.188 56.100 0.271 0.000 0.931 288 R CB 3.166 33.505 30.300 0.064 0.000 1.206 288 R HN -0.017 nan 8.270 nan 0.000 0.474 289 V N 0.490 120.494 119.914 0.149 0.000 3.012 289 V HA 0.540 4.660 4.120 0.001 0.000 0.307 289 V C -1.491 174.584 176.094 -0.031 0.000 1.166 289 V CA -0.280 62.018 62.300 -0.004 0.000 0.974 289 V CB 2.783 34.482 31.823 -0.208 0.000 1.040 289 V HN 0.801 nan 8.190 nan 0.000 0.428 290 T N 7.063 121.598 114.554 -0.031 0.000 2.809 290 T HA 0.628 4.978 4.350 0.001 0.000 0.284 290 T C -0.677 173.998 174.700 -0.042 0.000 0.992 290 T CA -0.195 61.889 62.100 -0.027 0.000 0.957 290 T CB 1.030 69.893 68.868 -0.008 0.000 0.942 290 T HN 0.541 nan 8.240 nan 0.000 0.439 291 L N 3.620 124.816 121.223 -0.045 0.000 2.309 291 L HA 0.613 4.953 4.340 0.001 0.000 0.282 291 L C 0.436 177.284 176.870 -0.037 0.000 1.036 291 L CA -0.768 54.043 54.840 -0.048 0.000 0.806 291 L CB 1.292 43.316 42.059 -0.057 0.000 1.220 291 L HN 0.359 nan 8.230 nan 0.000 0.429 292 R N 4.305 124.782 120.500 -0.038 0.000 2.439 292 R HA 0.635 4.975 4.340 0.001 0.000 0.310 292 R C -1.407 174.869 176.300 -0.039 0.000 0.955 292 R CA -0.603 55.474 56.100 -0.038 0.000 0.853 292 R CB 1.576 31.855 30.300 -0.036 0.000 1.171 292 R HN 0.486 nan 8.270 nan 0.000 0.449 293 L N 2.964 124.164 121.223 -0.038 0.000 2.313 293 L HA 0.446 4.786 4.340 0.001 0.000 0.283 293 L C -0.277 176.571 176.870 -0.037 0.000 1.013 293 L CA -1.169 53.648 54.840 -0.038 0.000 0.816 293 L CB 1.532 43.572 42.059 -0.033 0.000 1.236 293 L HN 0.441 nan 8.230 nan 0.000 0.419 294 N N 2.422 121.094 118.700 -0.046 0.000 2.488 294 N HA 0.361 5.101 4.740 0.001 0.000 0.274 294 N C -0.746 174.724 175.510 -0.066 0.000 1.111 294 N CA -0.196 52.824 53.050 -0.051 0.000 0.974 294 N CB 2.338 40.797 38.487 -0.046 0.000 1.089 294 N HN 0.220 nan 8.380 nan 0.000 0.465 295 V N 2.410 122.272 119.914 -0.087 0.000 2.409 295 V HA 0.185 4.306 4.120 0.001 0.000 0.290 295 V C -0.184 175.834 176.094 -0.127 0.000 1.017 295 V CA -0.860 61.348 62.300 -0.153 0.000 0.841 295 V CB 1.682 33.307 31.823 -0.331 0.000 1.003 295 V HN 0.456 nan 8.190 nan 0.000 0.426 296 E N 3.004 123.152 120.200 -0.087 0.000 2.283 296 E HA 0.289 4.639 4.350 0.001 0.000 0.278 296 E C 0.225 176.801 176.600 -0.039 0.000 1.027 296 E CA -0.425 55.947 56.400 -0.046 0.000 0.843 296 E CB 0.579 30.262 29.700 -0.028 0.000 1.062 296 E HN 0.745 nan 8.360 nan 0.000 0.401 297 N N 1.357 120.054 118.700 -0.005 0.000 2.686 297 N HA -0.149 4.591 4.740 0.001 0.000 0.261 297 N C -2.440 173.071 175.510 0.001 0.000 1.001 297 N CA 0.069 53.130 53.050 0.019 0.000 0.764 297 N CB -0.965 37.535 38.487 0.022 0.000 0.898 297 N HN 0.335 nan 8.380 nan 0.000 0.544 298 P HA 0.022 nan 4.420 nan 0.000 0.271 298 P C -0.451 176.876 177.300 0.045 0.000 1.218 298 P CA 0.238 63.244 63.100 -0.157 0.000 0.780 298 P CB 0.767 32.150 31.700 -0.529 0.000 0.901 299 K N 2.620 123.130 120.400 0.183 0.000 2.349 299 K HA 0.279 4.600 4.320 0.001 0.000 0.288 299 K C 0.183 176.941 176.600 0.264 0.000 1.058 299 K CA -0.341 56.051 56.287 0.175 0.000 0.953 299 K CB 0.186 32.751 32.500 0.108 0.000 0.997 299 K HN 0.423 nan 8.250 nan 0.000 0.477 300 L N 2.575 123.881 121.223 0.138 0.000 2.375 300 L HA 0.320 4.660 4.340 0.001 0.000 0.271 300 L C -0.104 176.841 176.870 0.126 0.000 1.107 300 L CA -0.871 54.050 54.840 0.135 0.000 0.806 300 L CB 0.511 42.497 42.059 -0.123 0.000 1.146 300 L HN 0.612 nan 8.230 nan 0.000 0.447 301 W N 3.290 124.617 121.300 0.045 0.000 2.365 301 W HA 0.468 5.129 4.660 0.001 0.000 0.316 301 W C 0.042 176.507 176.519 -0.090 0.000 1.164 301 W CA 0.135 57.491 57.345 0.018 0.000 1.204 301 W CB 1.237 30.760 29.460 0.106 0.000 1.213 301 W HN 0.621 nan 8.180 nan 0.000 0.539 302 S N 3.026 118.205 115.700 -0.868 0.000 2.656 302 S HA 0.662 5.132 4.470 0.001 0.000 0.273 302 S C 0.188 173.982 174.600 -1.344 0.000 1.168 302 S CA -0.382 57.319 58.200 -0.831 0.000 0.817 302 S CB 1.178 64.153 63.200 -0.376 0.000 1.146 302 S HN 0.923 nan 8.310 nan 0.000 0.475 303 A N 0.477 122.675 122.820 -1.037 0.000 2.015 303 A HA 0.035 4.355 4.320 0.001 0.000 0.219 303 A C 1.775 179.038 177.584 -0.534 0.000 1.163 303 A CA 1.494 52.968 52.037 -0.939 0.000 0.646 303 A CB -0.993 17.338 19.000 -1.116 0.000 0.806 303 A HN 0.875 nan 8.150 nan 0.000 0.448 304 E N -0.622 119.395 120.200 -0.305 0.000 2.046 304 E HA 0.010 4.360 4.350 0.001 0.000 0.190 304 E C -0.175 176.285 176.600 -0.233 0.000 0.982 304 E CA 0.797 57.077 56.400 -0.199 0.000 0.800 304 E CB -0.056 29.654 29.700 0.017 0.000 0.756 304 E HN 0.631 nan 8.360 nan 0.000 0.449 305 I N 1.822 122.232 120.570 -0.266 0.000 2.583 305 I HA 0.165 4.336 4.170 0.001 0.000 0.276 305 I C -2.463 173.430 176.117 -0.373 0.000 1.089 305 I CA -1.954 59.205 61.300 -0.235 0.000 1.103 305 I CB 2.012 39.930 38.000 -0.137 0.000 1.209 305 I HN -0.204 nan 8.210 nan 0.000 0.484 306 P HA 0.064 nan 4.420 nan 0.000 0.226 306 P C -0.612 176.662 177.300 -0.042 0.000 1.783 306 P CA -0.237 62.553 63.100 -0.517 0.000 0.980 306 P CB -0.276 31.263 31.700 -0.268 0.000 1.967 307 N N 1.835 120.539 118.700 0.006 0.000 2.440 307 N HA 0.080 4.820 4.740 0.001 0.000 0.265 307 N C 0.101 175.815 175.510 0.341 0.000 1.239 307 N CA 0.524 53.654 53.050 0.133 0.000 0.909 307 N CB 0.664 39.219 38.487 0.113 0.000 1.066 307 N HN 0.331 nan 8.380 nan 0.000 0.474 308 L N 2.737 124.090 121.223 0.216 0.000 2.362 308 L HA 0.459 4.799 4.340 0.001 0.000 0.271 308 L C -0.592 176.360 176.870 0.135 0.000 1.002 308 L CA -0.892 54.114 54.840 0.277 0.000 0.818 308 L CB 1.113 43.309 42.059 0.228 0.000 1.298 308 L HN 0.374 nan 8.230 nan 0.000 0.420 309 Y N 0.651 121.102 120.300 0.252 0.000 2.568 309 Y HA 0.629 5.179 4.550 0.001 0.000 0.327 309 Y C -0.013 176.004 175.900 0.196 0.000 1.163 309 Y CA -0.793 57.455 58.100 0.246 0.000 1.219 309 Y CB 1.363 40.035 38.460 0.352 0.000 1.308 309 Y HN 0.386 nan 8.280 nan 0.000 0.503 310 R N 1.083 121.811 120.500 0.379 0.000 2.393 310 R HA 0.764 5.104 4.340 0.001 0.000 0.315 310 R C -1.551 174.938 176.300 0.315 0.000 0.952 310 R CA -0.507 55.750 56.100 0.263 0.000 0.842 310 R CB 0.866 31.252 30.300 0.144 0.000 1.163 310 R HN 0.742 nan 8.270 nan 0.000 0.450 311 A N 4.019 126.967 122.820 0.213 0.000 2.276 311 A HA 0.583 4.903 4.320 0.001 0.000 0.316 311 A C -0.948 176.692 177.584 0.094 0.000 1.229 311 A CA -0.620 51.518 52.037 0.168 0.000 0.851 311 A CB 1.112 20.177 19.000 0.110 0.000 1.165 311 A HN 0.494 nan 8.150 nan 0.000 0.513 312 V N 3.761 123.738 119.914 0.106 0.000 2.384 312 V HA 0.332 4.453 4.120 0.001 0.000 0.287 312 V C -0.289 175.780 176.094 -0.042 0.000 1.020 312 V CA -0.504 61.804 62.300 0.013 0.000 0.850 312 V CB 1.551 33.408 31.823 0.056 0.000 0.987 312 V HN 0.608 nan 8.190 nan 0.000 0.436 313 V N 4.972 124.790 119.914 -0.161 0.000 2.333 313 V HA 0.377 4.497 4.120 0.001 0.000 0.274 313 V C 0.091 176.127 176.094 -0.097 0.000 1.028 313 V CA -0.533 61.651 62.300 -0.193 0.000 0.851 313 V CB 1.079 32.632 31.823 -0.450 0.000 1.000 313 V HN 0.905 nan 8.190 nan 0.000 0.456 314 E N 3.972 124.166 120.200 -0.009 0.000 2.134 314 E HA 0.455 4.805 4.350 0.001 0.000 0.278 314 E C -0.914 175.761 176.600 0.126 0.000 0.959 314 E CA -0.816 55.630 56.400 0.076 0.000 0.783 314 E CB 2.308 32.079 29.700 0.118 0.000 1.095 314 E HN 0.471 nan 8.360 nan 0.000 0.399 315 L N 4.889 126.167 121.223 0.091 0.000 2.264 315 L HA 0.360 4.700 4.340 0.001 0.000 0.289 315 L C -0.870 176.086 176.870 0.143 0.000 1.044 315 L CA 0.146 55.028 54.840 0.069 0.000 0.807 315 L CB 0.006 42.102 42.059 0.061 0.000 1.192 315 L HN 0.653 nan 8.230 nan 0.000 0.425 316 H N 0.252 119.352 119.070 0.049 0.000 2.933 316 H HA 0.782 5.338 4.556 0.001 0.000 0.310 316 H C -0.725 174.665 175.328 0.104 0.000 1.351 316 H CA -0.512 55.572 56.048 0.060 0.000 1.137 316 H CB 0.697 30.478 29.762 0.031 0.000 1.853 316 H HN 0.498 nan 8.280 nan 0.000 0.539 317 T N -2.190 112.507 114.554 0.237 0.000 2.902 317 T HA 0.546 4.897 4.350 0.001 0.000 0.280 317 T C 1.380 176.227 174.700 0.244 0.000 0.992 317 T CA -0.384 61.853 62.100 0.227 0.000 1.015 317 T CB 1.502 70.463 68.868 0.156 0.000 1.044 317 T HN 0.924 nan 8.240 nan 0.000 0.520 318 A N 1.121 124.052 122.820 0.184 0.000 1.972 318 A HA -0.065 4.256 4.320 0.001 0.000 0.219 318 A C 1.809 179.464 177.584 0.119 0.000 1.169 318 A CA 1.776 53.901 52.037 0.147 0.000 0.635 318 A CB -1.097 17.973 19.000 0.116 0.000 0.810 318 A HN 0.994 nan 8.150 nan 0.000 0.446 319 D N -2.580 117.868 120.400 0.081 0.000 2.349 319 D HA 0.297 4.938 4.640 0.001 0.000 0.224 319 D C 1.075 177.399 176.300 0.039 0.000 1.029 319 D CA 0.993 55.017 54.000 0.039 0.000 0.879 319 D CB -0.338 40.461 40.800 -0.002 0.000 0.906 319 D HN 0.758 nan 8.370 nan 0.000 0.528 320 G N -1.084 107.764 108.800 0.079 0.000 2.168 320 G HA2 -0.199 3.762 3.960 0.001 0.000 0.197 320 G HA3 -0.199 3.762 3.960 0.001 0.000 0.197 320 G C 0.120 175.031 174.900 0.019 0.000 0.997 320 G CA 0.003 45.118 45.100 0.026 0.000 0.658 320 G HN 0.373 nan 8.290 nan 0.000 0.513 321 T N 1.811 116.403 114.554 0.064 0.000 2.729 321 T HA 0.515 4.866 4.350 0.001 0.000 0.296 321 T C 0.339 175.099 174.700 0.100 0.000 0.928 321 T CA -0.267 61.865 62.100 0.054 0.000 1.045 321 T CB 1.868 70.756 68.868 0.034 0.000 0.902 321 T HN 0.494 nan 8.240 nan 0.000 0.500 322 L N 4.795 126.058 121.223 0.066 0.000 2.455 322 L HA 0.288 4.629 4.340 0.001 0.000 0.272 322 L C 0.781 177.701 176.870 0.084 0.000 1.174 322 L CA 0.496 55.389 54.840 0.088 0.000 0.869 322 L CB 0.100 42.184 42.059 0.042 0.000 1.130 322 L HN 0.684 nan 8.230 nan 0.000 0.474 323 I N 2.499 123.129 120.570 0.099 0.000 2.681 323 I HA 0.139 4.310 4.170 0.001 0.000 0.247 323 I C 0.254 176.396 176.117 0.041 0.000 1.091 323 I CA 0.397 61.737 61.300 0.066 0.000 1.442 323 I CB 0.121 38.164 38.000 0.071 0.000 1.219 323 I HN 0.787 nan 8.210 nan 0.000 0.451 324 E N 0.301 120.525 120.200 0.040 0.000 2.423 324 E HA 0.736 5.086 4.350 0.001 0.000 0.280 324 E C -1.464 175.160 176.600 0.041 0.000 1.030 324 E CA -1.134 55.282 56.400 0.028 0.000 0.812 324 E CB 1.899 31.581 29.700 -0.030 0.000 1.313 324 E HN 0.001 nan 8.360 nan 0.000 0.456 325 A N 1.282 124.153 122.820 0.085 0.000 2.393 325 A HA 0.671 4.992 4.320 0.001 0.000 0.306 325 A C -0.944 176.759 177.584 0.197 0.000 1.050 325 A CA -0.741 51.354 52.037 0.097 0.000 0.724 325 A CB 1.511 20.566 19.000 0.091 0.000 1.248 325 A HN 0.518 nan 8.150 nan 0.000 0.424 326 E N -0.164 120.079 120.200 0.071 0.000 2.339 326 E HA 0.846 5.196 4.350 0.001 0.000 0.262 326 E C -0.486 176.156 176.600 0.070 0.000 0.934 326 E CA -0.585 55.922 56.400 0.179 0.000 0.802 326 E CB 2.387 32.082 29.700 -0.009 0.000 1.275 326 E HN 1.134 nan 8.360 nan 0.000 0.427 327 A N -0.089 122.892 122.820 0.269 0.000 2.601 327 A HA 0.704 5.024 4.320 0.001 0.000 0.291 327 A C -1.163 176.623 177.584 0.338 0.000 1.075 327 A CA -0.472 51.649 52.037 0.140 0.000 0.671 327 A CB 0.823 19.813 19.000 -0.017 0.000 1.277 327 A HN 0.840 nan 8.150 nan 0.000 0.417 328 C N -0.349 119.099 119.300 0.248 0.000 3.239 328 C HA 0.798 5.258 4.460 0.001 0.000 0.317 328 C C -1.218 173.864 174.990 0.152 0.000 1.310 328 C CA -0.967 58.193 59.018 0.235 0.000 1.371 328 C CB 1.144 29.046 27.740 0.271 0.000 1.714 328 C HN 0.821 nan 8.230 nan 0.000 0.473 329 D N 1.223 121.696 120.400 0.121 0.000 2.389 329 D HA 0.470 5.110 4.640 0.001 0.000 0.247 329 D C -0.287 176.060 176.300 0.079 0.000 1.128 329 D CA 0.282 54.352 54.000 0.117 0.000 0.884 329 D CB 1.610 42.481 40.800 0.119 0.000 1.194 329 D HN 0.547 nan 8.370 nan 0.000 0.441 330 V N 1.309 121.298 119.914 0.124 0.000 2.487 330 V HA 0.598 4.718 4.120 0.001 0.000 0.298 330 V C 0.576 176.746 176.094 0.127 0.000 1.028 330 V CA -0.882 61.447 62.300 0.049 0.000 0.860 330 V CB 2.015 33.847 31.823 0.015 0.000 0.991 330 V HN 0.601 nan 8.190 nan 0.000 0.427 331 G N 3.180 111.958 108.800 -0.037 0.000 2.422 331 G HA2 0.601 4.562 3.960 0.001 0.000 0.317 331 G HA3 0.601 4.562 3.960 0.001 0.000 0.317 331 G C -0.933 174.052 174.900 0.143 0.000 1.210 331 G CA -0.394 44.765 45.100 0.099 0.000 0.930 331 G HN 0.452 nan 8.290 nan 0.000 0.468 332 F N 4.107 124.255 119.950 0.330 0.000 2.468 332 F HA 0.400 4.928 4.527 0.001 0.000 0.356 332 F C 1.146 177.199 175.800 0.423 0.000 1.167 332 F CA -0.135 58.118 58.000 0.422 0.000 1.135 332 F CB 0.531 39.784 39.000 0.421 0.000 1.197 332 F HN 0.432 nan 8.300 nan 0.000 0.569 333 R N 2.921 123.722 120.500 0.502 0.000 2.680 333 R HA 0.444 4.784 4.340 0.001 0.000 0.269 333 R C -1.806 174.665 176.300 0.286 0.000 1.026 333 R CA -0.787 55.449 56.100 0.227 0.000 0.889 333 R CB 1.680 32.137 30.300 0.263 0.000 1.241 333 R HN 0.553 nan 8.270 nan 0.000 0.463 334 E N 2.178 122.443 120.200 0.107 0.000 2.199 334 E HA 0.430 4.780 4.350 0.001 0.000 0.265 334 E C -1.246 175.432 176.600 0.130 0.000 0.882 334 E CA -0.869 55.674 56.400 0.238 0.000 0.759 334 E CB 2.086 32.026 29.700 0.400 0.000 1.148 334 E HN 0.410 nan 8.360 nan 0.000 0.412 335 V N 5.640 125.624 119.914 0.117 0.000 2.384 335 V HA 0.564 4.684 4.120 0.001 0.000 0.287 335 V C -0.144 175.995 176.094 0.076 0.000 1.020 335 V CA -0.647 61.694 62.300 0.067 0.000 0.850 335 V CB 1.019 32.858 31.823 0.027 0.000 0.987 335 V HN 0.710 nan 8.190 nan 0.000 0.436 336 R N 4.096 124.638 120.500 0.070 0.000 2.680 336 R HA 0.748 5.088 4.340 0.001 0.000 0.269 336 R C -1.891 174.440 176.300 0.052 0.000 1.026 336 R CA -0.945 55.197 56.100 0.070 0.000 0.889 336 R CB 1.955 32.311 30.300 0.093 0.000 1.241 336 R HN 0.501 nan 8.270 nan 0.000 0.463 337 I N 1.482 122.082 120.570 0.050 0.000 2.321 337 I HA 0.322 4.492 4.170 0.001 0.000 0.291 337 I C -0.358 175.785 176.117 0.043 0.000 0.998 337 I CA -0.301 61.023 61.300 0.040 0.000 1.227 337 I CB 1.637 39.662 38.000 0.040 0.000 1.368 337 I HN 0.648 nan 8.210 nan 0.000 0.466 338 E N 5.792 126.014 120.200 0.037 0.000 2.246 338 E HA 0.229 4.580 4.350 0.001 0.000 0.266 338 E C -0.292 176.325 176.600 0.028 0.000 0.880 338 E CA -0.643 55.780 56.400 0.038 0.000 0.762 338 E CB 1.103 30.831 29.700 0.047 0.000 1.180 338 E HN 0.553 nan 8.360 nan 0.000 0.416 339 N N 3.083 121.799 118.700 0.027 0.000 2.710 339 N HA -0.247 4.493 4.740 0.001 0.000 0.249 339 N C 0.412 175.931 175.510 0.015 0.000 1.059 339 N CA 1.898 54.960 53.050 0.020 0.000 0.720 339 N CB -1.147 37.351 38.487 0.018 0.000 0.983 339 N HN 0.929 nan 8.380 nan 0.000 0.544 340 G N -2.240 106.570 108.800 0.017 0.000 2.159 340 G HA2 -0.281 3.679 3.960 0.001 0.000 0.256 340 G HA3 -0.281 3.679 3.960 0.001 0.000 0.256 340 G C -0.101 174.798 174.900 -0.001 0.000 0.977 340 G CA 0.461 45.567 45.100 0.010 0.000 0.652 340 G HN 0.461 nan 8.290 nan 0.000 0.531 341 L N 0.155 121.377 121.223 -0.001 0.000 2.341 341 L HA 0.662 5.003 4.340 0.001 0.000 0.278 341 L C 0.282 177.145 176.870 -0.012 0.000 1.005 341 L CA -1.304 53.527 54.840 -0.014 0.000 0.818 341 L CB 1.827 43.878 42.059 -0.013 0.000 1.259 341 L HN 0.108 nan 8.230 nan 0.000 0.418 342 L N 4.910 126.114 121.223 -0.031 0.000 2.369 342 L HA 0.360 4.701 4.340 0.001 0.000 0.279 342 L C -0.802 176.047 176.870 -0.034 0.000 1.108 342 L CA 0.552 55.374 54.840 -0.031 0.000 0.852 342 L CB 0.161 42.188 42.059 -0.054 0.000 1.169 342 L HN 0.397 nan 8.230 nan 0.000 0.452 343 L N 6.168 127.388 121.223 -0.006 0.000 2.346 343 L HA 0.537 4.878 4.340 0.001 0.000 0.276 343 L C -0.786 176.093 176.870 0.015 0.000 1.006 343 L CA -0.767 54.078 54.840 0.010 0.000 0.817 343 L CB 1.881 43.967 42.059 0.045 0.000 1.272 343 L HN 0.541 nan 8.230 nan 0.000 0.421 344 L N 4.036 125.276 121.223 0.028 0.000 2.325 344 L HA 0.492 4.833 4.340 0.001 0.000 0.281 344 L C -0.181 176.699 176.870 0.017 0.000 1.004 344 L CA -0.071 54.792 54.840 0.039 0.000 0.823 344 L CB 0.906 43.001 42.059 0.061 0.000 1.236 344 L HN 0.613 nan 8.230 nan 0.000 0.415 345 N N 4.188 122.748 118.700 -0.233 0.000 2.727 345 N HA -0.222 4.518 4.740 0.001 0.000 0.249 345 N C 0.893 176.071 175.510 -0.554 0.000 1.048 345 N CA 1.280 53.824 53.050 -0.843 0.000 0.714 345 N CB -1.297 36.612 38.487 -0.963 0.000 0.959 345 N HN 1.166 nan 8.380 nan 0.000 0.544 346 G N -2.006 106.758 108.800 -0.060 0.000 2.179 346 G HA2 -0.344 3.616 3.960 0.001 0.000 0.260 346 G HA3 -0.344 3.616 3.960 0.001 0.000 0.260 346 G C -0.109 174.837 174.900 0.076 0.000 0.977 346 G CA 0.824 46.002 45.100 0.130 0.000 0.641 346 G HN 0.404 nan 8.290 nan 0.000 0.533 347 K N 0.963 121.399 120.400 0.060 0.000 2.270 347 K HA 0.510 4.831 4.320 0.001 0.000 0.255 347 K C -2.773 173.812 176.600 -0.026 0.000 0.936 347 K CA -2.223 54.063 56.287 -0.002 0.000 0.809 347 K CB 2.631 35.071 32.500 -0.100 0.000 1.131 347 K HN 0.082 nan 8.250 nan 0.000 0.427 348 P HA 0.168 nan 4.420 nan 0.000 0.276 348 P C -0.136 177.107 177.300 -0.096 0.000 1.253 348 P CA -0.213 62.848 63.100 -0.065 0.000 0.766 348 P CB 0.529 32.193 31.700 -0.060 0.000 0.845 349 L N 3.581 124.741 121.223 -0.104 0.000 2.436 349 L HA 0.244 4.585 4.340 0.001 0.000 0.265 349 L C 0.723 177.511 176.870 -0.136 0.000 1.168 349 L CA -0.600 54.164 54.840 -0.127 0.000 0.815 349 L CB 0.325 42.264 42.059 -0.201 0.000 1.109 349 L HN 0.279 nan 8.230 nan 0.000 0.462 350 L N 4.397 125.556 121.223 -0.107 0.000 2.353 350 L HA 0.405 4.745 4.340 0.001 0.000 0.270 350 L C -0.397 176.415 176.870 -0.097 0.000 1.003 350 L CA -0.254 54.503 54.840 -0.139 0.000 0.862 350 L CB 0.837 42.847 42.059 -0.081 0.000 1.221 350 L HN 0.264 nan 8.230 nan 0.000 0.430 351 I N 5.100 125.535 120.570 -0.226 0.000 2.483 351 I HA 0.132 4.302 4.170 0.001 0.000 0.291 351 I C 0.622 176.675 176.117 -0.106 0.000 1.112 351 I CA 0.298 61.471 61.300 -0.210 0.000 1.350 351 I CB 0.114 37.861 38.000 -0.422 0.000 1.419 351 I HN 0.555 nan 8.210 nan 0.000 0.523 352 R N 4.728 125.286 120.500 0.097 0.000 3.570 352 R HA 0.409 4.749 4.340 0.001 0.000 0.233 352 R C 0.600 177.062 176.300 0.268 0.000 1.492 352 R CA -0.249 55.983 56.100 0.220 0.000 1.504 352 R CB 0.629 30.910 30.300 -0.031 0.000 1.314 352 R HN 0.754 nan 8.270 nan 0.000 0.687 353 G N 0.014 108.917 108.800 0.171 0.000 2.509 353 G HA2 0.567 4.527 3.960 0.001 0.000 0.328 353 G HA3 0.567 4.527 3.960 0.001 0.000 0.328 353 G C -1.275 173.947 174.900 0.536 0.000 1.194 353 G CA -0.443 44.742 45.100 0.141 0.000 0.967 353 G HN 0.219 nan 8.290 nan 0.000 0.488 354 V N 0.271 120.480 119.914 0.493 0.000 2.971 354 V HA 0.440 4.561 4.120 0.001 0.000 0.309 354 V C -0.974 175.276 176.094 0.260 0.000 1.130 354 V CA -1.231 61.247 62.300 0.297 0.000 0.964 354 V CB 2.183 33.899 31.823 -0.179 0.000 1.029 354 V HN 0.774 nan 8.190 nan 0.000 0.427 355 N N 4.426 123.212 118.700 0.143 0.000 2.497 355 N HA 0.358 5.098 4.740 0.001 0.000 0.271 355 N C -0.647 174.702 175.510 -0.269 0.000 1.142 355 N CA -0.185 52.806 53.050 -0.099 0.000 0.965 355 N CB 1.224 39.637 38.487 -0.124 0.000 1.077 355 N HN 0.554 nan 8.380 nan 0.000 0.462 356 R N 2.395 122.694 120.500 -0.336 0.000 2.468 356 R HA 0.173 4.514 4.340 0.001 0.000 0.302 356 R C -0.759 175.295 176.300 -0.410 0.000 1.041 356 R CA -0.559 55.348 56.100 -0.322 0.000 0.899 356 R CB 0.533 30.618 30.300 -0.358 0.000 1.167 356 R HN 0.596 nan 8.270 nan 0.000 0.483 357 H N 2.136 121.031 119.070 -0.292 0.000 2.690 357 H HA 0.064 4.621 4.556 0.001 0.000 0.365 357 H C -0.357 174.952 175.328 -0.033 0.000 1.142 357 H CA 0.402 56.366 56.048 -0.140 0.000 1.417 357 H CB 1.164 30.906 29.762 -0.032 0.000 1.446 357 H HN 0.535 nan 8.280 nan 0.000 0.599 358 E N 2.143 122.505 120.200 0.269 0.000 2.070 358 E HA 0.097 4.447 4.350 0.001 0.000 0.282 358 E C -0.557 176.194 176.600 0.251 0.000 1.104 358 E CA 0.066 56.573 56.400 0.178 0.000 0.876 358 E CB 0.300 30.118 29.700 0.196 0.000 1.055 358 E HN 0.408 nan 8.360 nan 0.000 0.401 359 H N 1.880 121.011 119.070 0.102 0.000 2.947 359 H HA 0.240 4.797 4.556 0.001 0.000 0.354 359 H C -1.688 173.704 175.328 0.106 0.000 1.085 359 H CA -0.641 55.464 56.048 0.095 0.000 1.253 359 H CB 1.049 30.862 29.762 0.085 0.000 1.757 359 H HN 0.433 nan 8.280 nan 0.000 0.523 360 H N 6.202 124.914 119.070 -0.598 0.000 2.667 360 H HA 0.217 4.774 4.556 0.001 0.000 0.353 360 H C -2.296 172.643 175.328 -0.648 0.000 1.072 360 H CA -2.380 53.416 56.048 -0.420 0.000 1.214 360 H CB 2.814 32.499 29.762 -0.129 0.000 1.600 360 H HN 0.546 nan 8.280 nan 0.000 0.527 361 P HA -0.121 nan 4.420 nan 0.000 0.225 361 P C 1.123 178.262 177.300 -0.268 0.000 1.148 361 P CA 0.531 63.421 63.100 -0.349 0.000 0.779 361 P CB 0.803 32.347 31.700 -0.260 0.000 0.780 362 L N -1.381 119.763 121.223 -0.132 0.000 2.467 362 L HA 0.202 4.542 4.340 0.001 0.000 0.213 362 L C 1.793 178.456 176.870 -0.345 0.000 1.053 362 L CA 1.520 56.204 54.840 -0.260 0.000 0.847 362 L CB -0.755 41.080 42.059 -0.373 0.000 1.075 362 L HN -0.105 nan 8.230 nan 0.000 0.479 363 H N -1.263 117.813 119.070 0.010 0.000 2.652 363 H HA 0.538 5.094 4.556 0.001 0.000 0.274 363 H C 1.369 176.588 175.328 -0.181 0.000 1.021 363 H CA 0.250 56.204 56.048 -0.156 0.000 1.187 363 H CB 0.362 29.951 29.762 -0.288 0.000 1.505 363 H HN 0.390 nan 8.280 nan 0.000 0.530 364 G N 1.497 110.201 108.800 -0.160 0.000 2.595 364 G HA2 -0.398 3.562 3.960 0.001 0.000 0.297 364 G HA3 -0.398 3.562 3.960 0.001 0.000 0.297 364 G C 0.758 175.565 174.900 -0.154 0.000 1.181 364 G CA 0.443 45.395 45.100 -0.246 0.000 0.963 364 G HN 0.450 nan 8.290 nan 0.000 0.541 365 Q N -0.003 119.733 119.800 -0.107 0.000 2.198 365 Q HA 0.474 4.815 4.340 0.001 0.000 0.209 365 Q C 0.291 176.362 176.000 0.118 0.000 0.848 365 Q CA -0.132 55.651 55.803 -0.034 0.000 0.974 365 Q CB 1.343 29.956 28.738 -0.210 0.000 1.115 365 Q HN 0.371 nan 8.270 nan 0.000 0.494 366 V N 2.100 122.065 119.914 0.086 0.000 2.488 366 V HA 0.163 4.283 4.120 0.001 0.000 0.277 366 V C 0.165 176.277 176.094 0.029 0.000 1.046 366 V CA 0.230 62.585 62.300 0.092 0.000 0.986 366 V CB 0.901 32.724 31.823 0.000 0.000 0.989 366 V HN 0.322 nan 8.190 nan 0.000 0.475 367 M N 5.490 125.106 119.600 0.027 0.000 2.404 367 M HA 0.507 4.987 4.480 0.001 0.000 0.338 367 M C -0.465 175.732 176.300 -0.173 0.000 1.150 367 M CA -0.491 54.775 55.300 -0.057 0.000 1.016 367 M CB 1.892 34.453 32.600 -0.064 0.000 1.672 367 M HN 0.841 nan 8.290 nan 0.000 0.448 368 D N 0.423 120.736 120.400 -0.145 0.000 2.490 368 D HA 0.227 4.867 4.640 0.001 0.000 0.232 368 D C 0.138 176.390 176.300 -0.079 0.000 1.053 368 D CA -0.441 53.475 54.000 -0.141 0.000 0.914 368 D CB 1.919 42.644 40.800 -0.124 0.000 1.431 368 D HN 0.713 nan 8.370 nan 0.000 0.483 369 E N 0.142 120.313 120.200 -0.049 0.000 2.058 369 E HA -0.292 4.058 4.350 0.001 0.000 0.194 369 E C 1.488 178.124 176.600 0.059 0.000 0.997 369 E CA 1.757 58.169 56.400 0.020 0.000 0.801 369 E CB 0.169 29.897 29.700 0.046 0.000 0.746 369 E HN 0.359 nan 8.360 nan 0.000 0.450 370 Q N -0.138 119.695 119.800 0.054 0.000 2.061 370 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 370 Q C 2.225 178.284 176.000 0.099 0.000 0.984 370 Q CA 2.391 58.240 55.803 0.076 0.000 0.846 370 Q CB -0.582 28.200 28.738 0.072 0.000 0.902 370 Q HN 0.273 nan 8.270 nan 0.000 0.421 371 T N 0.291 114.912 114.554 0.112 0.000 2.737 371 T HA -0.102 4.248 4.350 0.001 0.000 0.265 371 T C 1.783 176.572 174.700 0.149 0.000 1.038 371 T CA 1.326 63.517 62.100 0.152 0.000 1.144 371 T CB -0.207 68.784 68.868 0.204 0.000 0.866 371 T HN 0.206 nan 8.240 nan 0.000 0.434 372 M N 0.615 120.301 119.600 0.142 0.000 2.080 372 M HA -0.109 4.371 4.480 0.001 0.000 0.260 372 M C 2.474 178.888 176.300 0.189 0.000 1.068 372 M CA 1.399 56.850 55.300 0.251 0.000 1.109 372 M CB -0.634 32.138 32.600 0.287 0.000 1.342 372 M HN 0.097 nan 8.290 nan 0.000 0.405 373 V N 0.155 120.124 119.914 0.092 0.000 2.343 373 V HA -0.292 3.829 4.120 0.001 0.000 0.247 373 V C 2.318 178.395 176.094 -0.028 0.000 1.051 373 V CA 2.037 64.325 62.300 -0.020 0.000 1.036 373 V CB -0.858 30.997 31.823 0.053 0.000 0.654 373 V HN 0.566 nan 8.190 nan 0.000 0.451 374 Q N -0.266 119.573 119.800 0.065 0.000 2.084 374 Q HA -0.264 4.076 4.340 0.001 0.000 0.202 374 Q C 1.949 178.033 176.000 0.140 0.000 0.978 374 Q CA 2.122 57.985 55.803 0.100 0.000 0.844 374 Q CB -0.118 28.697 28.738 0.129 0.000 0.898 374 Q HN 0.614 nan 8.270 nan 0.000 0.426 375 D N 0.383 120.881 120.400 0.164 0.000 2.097 375 D HA -0.137 4.503 4.640 0.001 0.000 0.195 375 D C 1.945 178.199 176.300 -0.076 0.000 0.989 375 D CA 1.172 55.268 54.000 0.160 0.000 0.827 375 D CB -0.208 40.664 40.800 0.120 0.000 0.966 375 D HN 0.353 nan 8.370 nan 0.000 0.456 376 I N 0.693 121.206 120.570 -0.095 0.000 2.226 376 I HA -0.237 3.933 4.170 0.001 0.000 0.245 376 I C 2.441 178.425 176.117 -0.222 0.000 1.100 376 I CA 0.656 61.800 61.300 -0.260 0.000 1.374 376 I CB -0.160 37.563 38.000 -0.463 0.000 1.057 376 I HN 0.004 nan 8.210 nan 0.000 0.413 377 L N 0.118 121.245 121.223 -0.159 0.000 2.017 377 L HA -0.238 4.103 4.340 0.001 0.000 0.208 377 L C 2.593 179.542 176.870 0.130 0.000 1.073 377 L CA 1.534 56.372 54.840 -0.003 0.000 0.745 377 L CB -0.658 41.419 42.059 0.030 0.000 0.894 377 L HN 0.287 nan 8.230 nan 0.000 0.432 378 L N -1.003 120.325 121.223 0.176 0.000 2.083 378 L HA -0.246 4.094 4.340 0.001 0.000 0.209 378 L C 2.689 179.772 176.870 0.355 0.000 1.083 378 L CA 1.304 56.342 54.840 0.330 0.000 0.752 378 L CB -0.286 42.075 42.059 0.505 0.000 0.899 378 L HN 0.291 nan 8.230 nan 0.000 0.433 379 M N -0.697 118.939 119.600 0.060 0.000 2.067 379 M HA -0.233 4.247 4.480 0.001 0.000 0.260 379 M C 2.317 178.743 176.300 0.211 0.000 1.069 379 M CA 1.872 57.144 55.300 -0.047 0.000 1.117 379 M CB -0.290 32.023 32.600 -0.478 0.000 1.334 379 M HN 0.049 nan 8.290 nan 0.000 0.407 380 K N -0.060 120.357 120.400 0.029 0.000 2.097 380 K HA -0.183 4.137 4.320 0.001 0.000 0.206 380 K C 1.956 178.576 176.600 0.033 0.000 1.049 380 K CA 1.348 57.555 56.287 -0.134 0.000 0.933 380 K CB -0.213 32.021 32.500 -0.443 0.000 0.717 380 K HN 0.447 nan 8.250 nan 0.000 0.442 381 Q N 0.318 120.302 119.800 0.308 0.000 2.291 381 Q HA -0.049 4.291 4.340 0.001 0.000 0.206 381 Q C 0.814 177.141 176.000 0.544 0.000 0.976 381 Q CA 0.764 56.864 55.803 0.496 0.000 0.875 381 Q CB 0.124 29.125 28.738 0.439 0.000 0.927 381 Q HN 0.265 nan 8.270 nan 0.000 0.450 382 N N 0.607 119.575 118.700 0.447 0.000 2.273 382 N HA 0.055 4.796 4.740 0.001 0.000 0.231 382 N C -0.661 174.970 175.510 0.201 0.000 1.134 382 N CA 0.030 53.323 53.050 0.405 0.000 0.856 382 N CB 0.693 39.494 38.487 0.523 0.000 1.068 382 N HN 0.155 nan 8.380 nan 0.000 0.510 383 N N 0.224 119.054 118.700 0.217 0.000 2.776 383 N HA -0.184 4.556 4.740 0.001 0.000 0.249 383 N C -0.954 174.505 175.510 -0.086 0.000 1.111 383 N CA 0.759 53.891 53.050 0.136 0.000 0.711 383 N CB -1.802 36.678 38.487 -0.010 0.000 1.065 383 N HN 0.254 nan 8.380 nan 0.000 0.556 384 F N 1.092 121.093 119.950 0.085 0.000 2.396 384 F HA 0.278 4.805 4.527 0.001 0.000 0.343 384 F C 1.798 177.617 175.800 0.031 0.000 1.104 384 F CA -0.631 57.403 58.000 0.057 0.000 1.161 384 F CB 0.807 39.821 39.000 0.022 0.000 1.146 384 F HN 0.047 nan 8.300 nan 0.000 0.522 385 N N 0.975 119.817 118.700 0.238 0.000 2.171 385 N HA 0.390 5.130 4.740 0.001 0.000 0.212 385 N C -0.753 174.838 175.510 0.136 0.000 1.184 385 N CA -0.000 53.120 53.050 0.116 0.000 0.888 385 N CB 0.718 39.321 38.487 0.193 0.000 1.038 385 N HN 0.447 nan 8.380 nan 0.000 0.517 386 A N -0.388 122.580 122.820 0.247 0.000 2.549 386 A HA 0.741 5.062 4.320 0.001 0.000 0.297 386 A C -1.716 176.112 177.584 0.407 0.000 1.061 386 A CA -0.744 51.502 52.037 0.347 0.000 0.690 386 A CB 2.010 21.213 19.000 0.338 0.000 1.287 386 A HN 0.151 nan 8.150 nan 0.000 0.402 387 V N 1.865 122.060 119.914 0.468 0.000 2.686 387 V HA 0.706 4.827 4.120 0.001 0.000 0.306 387 V C -0.500 175.726 176.094 0.220 0.000 1.065 387 V CA -0.696 61.822 62.300 0.363 0.000 0.894 387 V CB 1.761 33.754 31.823 0.283 0.000 1.004 387 V HN 1.026 nan 8.190 nan 0.000 0.424 388 R N 5.186 125.655 120.500 -0.051 0.000 2.294 388 R HA 0.434 4.775 4.340 0.001 0.000 0.319 388 R C -0.591 175.560 176.300 -0.247 0.000 0.984 388 R CA -0.501 55.385 56.100 -0.356 0.000 0.861 388 R CB 0.902 30.759 30.300 -0.740 0.000 1.104 388 R HN 0.818 nan 8.270 nan 0.000 0.451 389 C N 4.418 123.603 119.300 -0.191 0.000 2.896 389 C HA 0.090 4.551 4.460 0.001 0.000 0.499 389 C C 0.671 175.387 174.990 -0.456 0.000 1.022 389 C CA -0.461 58.392 59.018 -0.275 0.000 1.127 389 C CB -2.106 25.588 27.740 -0.077 0.000 1.452 389 C HN 0.706 nan 8.230 nan 0.000 0.580 390 S N 1.408 116.709 115.700 -0.666 0.000 2.465 390 S HA 0.164 4.635 4.470 0.001 0.000 0.280 390 S C -0.058 173.614 174.600 -1.548 0.000 1.232 390 S CA 0.121 57.653 58.200 -1.113 0.000 1.066 390 S CB 0.131 62.610 63.200 -1.201 0.000 0.929 390 S HN 0.727 nan 8.310 nan 0.000 0.494 391 H N 3.805 122.248 119.070 -1.045 0.000 2.535 391 H HA 0.318 4.874 4.556 0.001 0.000 0.232 391 H C -1.154 174.086 175.328 -0.147 0.000 1.405 391 H CA -0.334 55.500 56.048 -0.356 0.000 1.224 391 H CB -0.190 29.565 29.762 -0.013 0.000 1.763 391 H HN 0.888 nan 8.280 nan 0.000 0.529 392 Y N -2.975 117.416 120.300 0.152 0.000 2.687 392 Y HA 0.403 4.953 4.550 0.001 0.000 0.338 392 Y C -3.336 172.663 175.900 0.165 0.000 1.189 392 Y CA -3.227 54.973 58.100 0.166 0.000 1.097 392 Y CB 0.056 38.620 38.460 0.173 0.000 1.342 392 Y HN -0.105 nan 8.280 nan 0.000 0.461 393 P HA 0.147 nan 4.420 nan 0.000 0.265 393 P C -0.730 176.847 177.300 0.462 0.000 1.193 393 P CA 0.295 63.641 63.100 0.409 0.000 0.765 393 P CB 0.587 32.462 31.700 0.290 0.000 0.823 394 N N 0.825 119.807 118.700 0.470 0.000 2.434 394 N HA 0.089 4.830 4.740 0.001 0.000 0.266 394 N C 0.045 175.780 175.510 0.375 0.000 1.223 394 N CA -0.350 52.888 53.050 0.314 0.000 0.972 394 N CB -0.004 38.456 38.487 -0.045 0.000 1.207 394 N HN 0.478 nan 8.380 nan 0.000 0.525 395 H N 2.331 121.501 119.070 0.167 0.000 3.173 395 H HA -0.049 4.507 4.556 0.001 0.000 0.311 395 H C -1.466 174.016 175.328 0.257 0.000 0.972 395 H CA -0.522 55.612 56.048 0.143 0.000 1.384 395 H CB 0.771 30.585 29.762 0.087 0.000 1.349 395 H HN 0.430 nan 8.280 nan 0.000 0.582 396 P HA -0.191 nan 4.420 nan 0.000 0.219 396 P C 1.797 179.368 177.300 0.453 0.000 1.146 396 P CA 0.601 63.905 63.100 0.341 0.000 0.808 396 P CB 0.259 32.020 31.700 0.100 0.000 0.779 397 L N -0.971 120.584 121.223 0.553 0.000 2.201 397 L HA -0.030 4.311 4.340 0.001 0.000 0.212 397 L C 2.409 179.449 176.870 0.283 0.000 1.105 397 L CA 1.325 56.399 54.840 0.390 0.000 0.775 397 L CB -1.406 40.855 42.059 0.337 0.000 0.913 397 L HN 0.015 nan 8.230 nan 0.000 0.440 398 W N -0.449 120.884 121.300 0.055 0.000 2.318 398 W HA -0.341 4.319 4.660 0.001 0.000 0.313 398 W C 2.082 178.459 176.519 -0.236 0.000 1.221 398 W CA 2.024 59.268 57.345 -0.168 0.000 1.266 398 W CB -0.400 28.851 29.460 -0.347 0.000 1.150 398 W HN 0.269 nan 8.180 nan 0.000 0.496 399 Y N 0.900 121.134 120.300 -0.110 0.000 2.242 399 Y HA -0.213 4.338 4.550 0.001 0.000 0.291 399 Y C 2.839 178.547 175.900 -0.320 0.000 1.137 399 Y CA 2.157 59.998 58.100 -0.432 0.000 1.181 399 Y CB -1.235 36.661 38.460 -0.940 0.000 0.989 399 Y HN -0.206 nan 8.280 nan 0.000 0.527 400 T N 0.740 115.324 114.554 0.049 0.000 2.684 400 T HA -0.189 4.162 4.350 0.001 0.000 0.267 400 T C 1.990 176.737 174.700 0.080 0.000 1.036 400 T CA 1.560 63.758 62.100 0.165 0.000 1.148 400 T CB -0.619 68.379 68.868 0.218 0.000 0.863 400 T HN 0.245 nan 8.240 nan 0.000 0.436 401 L N 0.316 121.545 121.223 0.009 0.000 2.056 401 L HA -0.079 4.261 4.340 0.001 0.000 0.207 401 L C 2.895 179.759 176.870 -0.010 0.000 1.078 401 L CA 0.858 55.724 54.840 0.044 0.000 0.749 401 L CB -0.683 41.377 42.059 0.002 0.000 0.901 401 L HN 0.373 nan 8.230 nan 0.000 0.433 402 C N -0.276 118.856 119.300 -0.279 0.000 2.435 402 C HA -0.133 4.327 4.460 0.001 0.000 0.279 402 C C 2.405 177.449 174.990 0.090 0.000 1.321 402 C CA 0.333 59.216 59.018 -0.225 0.000 1.752 402 C CB -0.779 26.697 27.740 -0.440 0.000 1.959 402 C HN 0.537 nan 8.230 nan 0.000 0.500 403 D N 0.544 121.005 120.400 0.100 0.000 2.104 403 D HA -0.114 4.526 4.640 0.001 0.000 0.194 403 D C 2.398 178.912 176.300 0.357 0.000 0.994 403 D CA 1.311 55.439 54.000 0.213 0.000 0.830 403 D CB -0.318 40.569 40.800 0.145 0.000 0.959 403 D HN 0.524 nan 8.370 nan 0.000 0.452 404 R N -1.111 119.490 120.500 0.169 0.000 2.080 404 R HA 0.024 4.365 4.340 0.001 0.000 0.222 404 R C 2.226 178.490 176.300 -0.059 0.000 1.107 404 R CA 0.526 56.652 56.100 0.043 0.000 0.980 404 R CB -0.170 30.083 30.300 -0.079 0.000 0.879 404 R HN 0.277 nan 8.270 nan 0.000 0.439 405 Y N -0.069 120.242 120.300 0.019 0.000 2.420 405 Y HA 0.159 4.709 4.550 0.001 0.000 0.292 405 Y C 1.019 176.843 175.900 -0.126 0.000 1.119 405 Y CA 0.779 58.859 58.100 -0.034 0.000 1.229 405 Y CB 0.565 38.982 38.460 -0.072 0.000 1.026 405 Y HN 0.238 nan 8.280 nan 0.000 0.554 406 G N 1.201 110.027 108.800 0.042 0.000 2.894 406 G HA2 -0.165 3.796 3.960 0.001 0.000 0.263 406 G HA3 -0.165 3.796 3.960 0.001 0.000 0.263 406 G C -1.144 173.604 174.900 -0.253 0.000 1.013 406 G CA -0.538 44.449 45.100 -0.189 0.000 1.226 406 G HN 0.176 nan 8.290 nan 0.000 0.563 407 L N 1.117 122.275 121.223 -0.109 0.000 2.431 407 L HA 0.488 4.829 4.340 0.001 0.000 0.266 407 L C 0.080 176.976 176.870 0.044 0.000 0.978 407 L CA -1.328 53.419 54.840 -0.155 0.000 0.822 407 L CB 1.932 43.911 42.059 -0.134 0.000 1.310 407 L HN 0.448 nan 8.230 nan 0.000 0.409 408 Y N 2.056 122.495 120.300 0.232 0.000 2.442 408 Y HA 0.301 4.852 4.550 0.001 0.000 0.330 408 Y C 0.215 176.251 175.900 0.227 0.000 1.129 408 Y CA -0.636 57.629 58.100 0.274 0.000 1.365 408 Y CB 0.987 39.590 38.460 0.237 0.000 1.233 408 Y HN 0.159 nan 8.280 nan 0.000 0.529 409 V N 4.716 124.827 119.914 0.327 0.000 2.495 409 V HA 0.255 4.376 4.120 0.001 0.000 0.298 409 V C -0.455 175.729 176.094 0.149 0.000 1.031 409 V CA -1.034 61.399 62.300 0.222 0.000 0.871 409 V CB 1.748 33.671 31.823 0.167 0.000 0.988 409 V HN 0.470 nan 8.190 nan 0.000 0.432 410 V N 3.596 123.569 119.914 0.097 0.000 2.353 410 V HA 0.260 4.381 4.120 0.001 0.000 0.264 410 V C -0.045 176.088 176.094 0.064 0.000 1.049 410 V CA -0.301 62.005 62.300 0.010 0.000 0.896 410 V CB 1.172 32.900 31.823 -0.158 0.000 1.025 410 V HN 0.856 nan 8.190 nan 0.000 0.475 411 D N 4.288 124.765 120.400 0.129 0.000 2.277 411 D HA 0.272 4.913 4.640 0.001 0.000 0.249 411 D C -0.147 176.346 176.300 0.320 0.000 1.134 411 D CA 0.006 54.177 54.000 0.285 0.000 0.863 411 D CB 1.146 42.158 40.800 0.354 0.000 1.143 411 D HN 0.693 nan 8.370 nan 0.000 0.458 412 E N 1.812 122.166 120.200 0.257 0.000 2.210 412 E HA 0.605 4.956 4.350 0.001 0.000 0.266 412 E C -1.046 175.692 176.600 0.232 0.000 0.883 412 E CA -1.065 55.468 56.400 0.222 0.000 0.761 412 E CB 1.326 31.107 29.700 0.135 0.000 1.156 412 E HN 0.464 nan 8.360 nan 0.000 0.412 413 A N 3.906 126.856 122.820 0.216 0.000 2.498 413 A HA 0.047 4.367 4.320 0.001 0.000 0.239 413 A C 0.356 178.063 177.584 0.204 0.000 1.068 413 A CA -0.214 51.928 52.037 0.176 0.000 0.766 413 A CB 0.119 19.189 19.000 0.116 0.000 1.003 413 A HN 0.699 nan 8.150 nan 0.000 0.497 414 N N 1.496 120.323 118.700 0.212 0.000 3.027 414 N HA 0.202 4.942 4.740 0.001 0.000 0.309 414 N C -0.981 174.652 175.510 0.204 0.000 1.222 414 N CA 0.288 53.492 53.050 0.256 0.000 1.187 414 N CB -0.882 37.755 38.487 0.250 0.000 1.458 414 N HN 0.485 nan 8.380 nan 0.000 0.535 415 I N 1.229 121.917 120.570 0.197 0.000 2.503 415 I HA 0.231 4.401 4.170 0.001 0.000 0.282 415 I C -0.596 175.623 176.117 0.171 0.000 1.059 415 I CA -0.604 60.797 61.300 0.168 0.000 1.081 415 I CB 1.732 39.811 38.000 0.131 0.000 1.210 415 I HN 0.191 nan 8.210 nan 0.000 0.450 416 Q N 4.443 124.335 119.800 0.154 0.000 2.263 416 Q HA 0.439 4.780 4.340 0.001 0.000 0.266 416 Q C -0.615 175.446 176.000 0.102 0.000 1.002 416 Q CA -0.526 55.341 55.803 0.107 0.000 0.790 416 Q CB 2.072 30.847 28.738 0.062 0.000 1.272 416 Q HN 0.696 nan 8.270 nan 0.000 0.435 417 T N 0.045 114.657 114.554 0.096 0.000 3.483 417 T HA 0.122 4.472 4.350 0.001 0.000 0.258 417 T C 0.545 175.285 174.700 0.067 0.000 1.013 417 T CA -0.296 61.864 62.100 0.101 0.000 1.078 417 T CB 0.054 68.963 68.868 0.068 0.000 1.111 417 T HN 0.736 nan 8.240 nan 0.000 0.538 418 H N 1.886 120.877 119.070 -0.133 0.000 2.457 418 H HA 0.120 4.676 4.556 0.001 0.000 0.297 418 H C 2.138 177.346 175.328 -0.200 0.000 1.092 418 H CA 1.881 57.821 56.048 -0.182 0.000 1.309 418 H CB -0.417 29.202 29.762 -0.238 0.000 1.382 418 H HN 0.585 nan 8.280 nan 0.000 0.535 419 G N -0.429 108.173 108.800 -0.330 0.000 2.813 419 G HA2 -0.010 3.950 3.960 0.001 0.000 0.209 419 G HA3 -0.010 3.950 3.960 0.001 0.000 0.209 419 G C 0.482 175.427 174.900 0.075 0.000 1.150 419 G CA -0.244 44.695 45.100 -0.268 0.000 0.785 419 G HN 0.150 nan 8.290 nan 0.000 0.535 420 M N 0.831 120.496 119.600 0.108 0.000 2.243 420 M HA 0.278 4.759 4.480 0.001 0.000 0.341 420 M C -0.487 175.798 176.300 -0.025 0.000 1.130 420 M CA -0.239 55.101 55.300 0.067 0.000 1.162 420 M CB 1.421 34.037 32.600 0.026 0.000 1.497 420 M HN -0.222 nan 8.290 nan 0.000 0.456 421 V N 5.550 125.445 119.914 -0.032 0.000 2.376 421 V HA 0.355 4.476 4.120 0.001 0.000 0.287 421 V C -1.831 174.237 176.094 -0.044 0.000 1.015 421 V CA -1.296 60.973 62.300 -0.050 0.000 0.834 421 V CB 1.560 33.351 31.823 -0.054 0.000 1.001 421 V HN 0.732 nan 8.190 nan 0.000 0.428 422 P HA 0.238 nan 4.420 nan 0.000 0.277 422 P C 0.969 178.251 177.300 -0.030 0.000 1.276 422 P CA -0.530 62.548 63.100 -0.038 0.000 0.788 422 P CB 1.100 32.786 31.700 -0.023 0.000 1.114 423 M N 0.510 120.099 119.600 -0.018 0.000 2.279 423 M HA -0.147 4.333 4.480 0.001 0.000 0.264 423 M C 1.242 177.564 176.300 0.037 0.000 1.062 423 M CA 1.622 56.927 55.300 0.008 0.000 1.099 423 M CB -0.436 32.183 32.600 0.032 0.000 1.394 423 M HN 0.363 nan 8.290 nan 0.000 0.426 424 N N -0.081 118.641 118.700 0.036 0.000 2.313 424 N HA -0.072 4.668 4.740 0.001 0.000 0.207 424 N C 1.155 176.647 175.510 -0.031 0.000 1.141 424 N CA 0.140 53.214 53.050 0.040 0.000 0.830 424 N CB -0.658 37.874 38.487 0.075 0.000 1.008 424 N HN 0.358 nan 8.380 nan 0.000 0.481 425 R N 0.434 120.898 120.500 -0.060 0.000 2.103 425 R HA -0.008 4.332 4.340 0.001 0.000 0.242 425 R C 1.504 177.705 176.300 -0.165 0.000 1.142 425 R CA 1.397 57.439 56.100 -0.097 0.000 0.960 425 R CB -0.032 30.205 30.300 -0.104 0.000 0.858 425 R HN 0.280 nan 8.270 nan 0.000 0.439 426 L N -0.690 120.372 121.223 -0.269 0.000 2.202 426 L HA -0.005 4.336 4.340 0.001 0.000 0.205 426 L C 2.489 179.218 176.870 -0.234 0.000 1.083 426 L CA 1.301 55.860 54.840 -0.468 0.000 0.790 426 L CB -0.520 41.005 42.059 -0.891 0.000 0.942 426 L HN 0.348 nan 8.230 nan 0.000 0.452 427 T N -4.365 110.083 114.554 -0.177 0.000 3.072 427 T HA -0.151 4.200 4.350 0.001 0.000 0.266 427 T C 1.231 175.831 174.700 -0.166 0.000 1.127 427 T CA 1.163 63.140 62.100 -0.205 0.000 1.107 427 T CB -0.196 68.511 68.868 -0.268 0.000 0.910 427 T HN 0.123 nan 8.240 nan 0.000 0.513 428 D N 0.925 121.268 120.400 -0.095 0.000 2.369 428 D HA 0.110 4.751 4.640 0.001 0.000 0.211 428 D C -0.288 175.992 176.300 -0.033 0.000 1.077 428 D CA -0.215 53.743 54.000 -0.070 0.000 0.842 428 D CB -0.010 40.760 40.800 -0.051 0.000 0.947 428 D HN 0.284 nan 8.370 nan 0.000 0.509 429 D N -0.032 120.364 120.400 -0.006 0.000 2.317 429 D HA 0.119 4.760 4.640 0.001 0.000 0.234 429 D C -1.611 174.741 176.300 0.086 0.000 1.112 429 D CA -2.217 51.819 54.000 0.060 0.000 0.840 429 D CB 1.985 42.862 40.800 0.129 0.000 1.078 429 D HN -0.004 nan 8.370 nan 0.000 0.486 430 P HA -0.108 nan 4.420 nan 0.000 0.222 430 P C 1.001 178.307 177.300 0.009 0.000 1.147 430 P CA 0.653 63.763 63.100 0.016 0.000 0.790 430 P CB 0.436 32.136 31.700 -0.001 0.000 0.780 431 R N -1.694 118.818 120.500 0.020 0.000 2.189 431 R HA -0.071 4.269 4.340 0.001 0.000 0.223 431 R C 1.587 177.779 176.300 -0.179 0.000 1.092 431 R CA 1.106 57.159 56.100 -0.079 0.000 0.989 431 R CB -0.473 29.774 30.300 -0.089 0.000 0.876 431 R HN 0.311 nan 8.270 nan 0.000 0.457 432 W N -0.435 120.816 121.300 -0.081 0.000 3.278 432 W HA 0.140 4.801 4.660 0.001 0.000 0.308 432 W C 1.409 177.873 176.519 -0.090 0.000 1.253 432 W CA -0.485 56.812 57.345 -0.081 0.000 1.759 432 W CB 0.116 29.527 29.460 -0.082 0.000 1.093 432 W HN 0.022 nan 8.180 nan 0.000 0.648 433 L N 2.073 123.332 121.223 0.060 0.000 2.017 433 L HA -0.014 4.327 4.340 0.001 0.000 0.208 433 L C -0.629 176.210 176.870 -0.052 0.000 1.073 433 L CA 2.180 57.013 54.840 -0.011 0.000 0.745 433 L CB -1.689 40.350 42.059 -0.032 0.000 0.894 433 L HN -0.240 nan 8.230 nan 0.000 0.432 434 P HA -0.208 nan 4.420 nan 0.000 0.214 434 P C 1.577 178.825 177.300 -0.086 0.000 1.163 434 P CA 2.320 65.362 63.100 -0.097 0.000 0.889 434 P CB -0.232 31.401 31.700 -0.113 0.000 0.790 435 A N -1.456 121.327 122.820 -0.061 0.000 1.930 435 A HA -0.169 4.152 4.320 0.001 0.000 0.217 435 A C 2.233 179.835 177.584 0.030 0.000 1.175 435 A CA 1.782 53.815 52.037 -0.007 0.000 0.627 435 A CB -1.381 17.637 19.000 0.030 0.000 0.815 435 A HN 0.111 nan 8.150 nan 0.000 0.443 436 M N 0.186 119.811 119.600 0.041 0.000 2.132 436 M HA -0.142 4.339 4.480 0.001 0.000 0.263 436 M C 2.574 178.823 176.300 -0.085 0.000 1.065 436 M CA 1.693 56.993 55.300 0.001 0.000 1.122 436 M CB -0.331 32.254 32.600 -0.024 0.000 1.365 436 M HN 0.665 nan 8.290 nan 0.000 0.411 437 S N 0.429 116.047 115.700 -0.136 0.000 2.370 437 S HA -0.199 4.271 4.470 0.001 0.000 0.226 437 S C 1.620 176.045 174.600 -0.291 0.000 1.033 437 S CA 1.530 59.577 58.200 -0.254 0.000 1.011 437 S CB -0.681 62.353 63.200 -0.278 0.000 0.852 437 S HN 0.515 nan 8.310 nan 0.000 0.457 438 E N 1.091 121.174 120.200 -0.195 0.000 2.118 438 E HA -0.124 4.227 4.350 0.001 0.000 0.195 438 E C 2.440 178.954 176.600 -0.142 0.000 0.992 438 E CA 1.073 57.369 56.400 -0.172 0.000 0.804 438 E CB -0.169 29.467 29.700 -0.107 0.000 0.741 438 E HN 0.588 nan 8.360 nan 0.000 0.458 439 R N 0.137 120.582 120.500 -0.091 0.000 2.115 439 R HA -0.060 4.280 4.340 0.001 0.000 0.226 439 R C 2.342 178.600 176.300 -0.070 0.000 1.100 439 R CA 0.656 56.732 56.100 -0.040 0.000 0.980 439 R CB 0.025 30.341 30.300 0.027 0.000 0.875 439 R HN 0.008 nan 8.270 nan 0.000 0.445 440 V N 0.303 120.132 119.914 -0.142 0.000 2.331 440 V HA -0.199 3.922 4.120 0.001 0.000 0.242 440 V C 2.504 178.419 176.094 -0.299 0.000 1.034 440 V CA 2.193 64.385 62.300 -0.180 0.000 1.027 440 V CB -0.534 31.180 31.823 -0.181 0.000 0.667 440 V HN 0.521 nan 8.190 nan 0.000 0.457 441 T N -0.571 113.677 114.554 -0.510 0.000 2.746 441 T HA -0.250 4.100 4.350 0.001 0.000 0.267 441 T C 1.942 176.486 174.700 -0.259 0.000 1.039 441 T CA 1.513 63.216 62.100 -0.661 0.000 1.142 441 T CB -0.409 67.919 68.868 -0.900 0.000 0.866 441 T HN 0.402 nan 8.240 nan 0.000 0.444 442 R N 0.136 120.509 120.500 -0.210 0.000 2.148 442 R HA 0.259 4.599 4.340 0.001 0.000 0.223 442 R C 2.639 178.866 176.300 -0.122 0.000 1.088 442 R CA 1.134 57.148 56.100 -0.144 0.000 0.985 442 R CB -0.404 29.819 30.300 -0.128 0.000 0.880 442 R HN 0.478 nan 8.270 nan 0.000 0.451 443 M N 0.612 120.145 119.600 -0.111 0.000 2.099 443 M HA -0.138 4.342 4.480 0.001 0.000 0.262 443 M C 1.837 178.061 176.300 -0.126 0.000 1.067 443 M CA 1.660 56.921 55.300 -0.066 0.000 1.124 443 M CB 0.097 32.699 32.600 0.003 0.000 1.353 443 M HN -0.023 nan 8.290 nan 0.000 0.410 444 V N 1.081 120.815 119.914 -0.300 0.000 2.295 444 V HA -0.301 3.820 4.120 0.001 0.000 0.246 444 V C 2.266 178.262 176.094 -0.163 0.000 1.049 444 V CA 2.050 64.060 62.300 -0.483 0.000 1.024 444 V CB -0.994 30.517 31.823 -0.521 0.000 0.648 444 V HN 0.590 nan 8.190 nan 0.000 0.447 445 Q N -0.725 119.016 119.800 -0.098 0.000 2.226 445 Q HA -0.220 4.121 4.340 0.001 0.000 0.204 445 Q C 2.458 178.388 176.000 -0.117 0.000 0.975 445 Q CA 1.486 57.243 55.803 -0.076 0.000 0.866 445 Q CB -0.157 28.555 28.738 -0.042 0.000 0.915 445 Q HN 0.543 nan 8.270 nan 0.000 0.440 446 R N 0.211 120.633 120.500 -0.131 0.000 2.090 446 R HA -0.076 4.265 4.340 0.001 0.000 0.219 446 R C 0.496 176.734 176.300 -0.103 0.000 1.100 446 R CA 1.241 57.240 56.100 -0.169 0.000 0.991 446 R CB 0.459 30.656 30.300 -0.172 0.000 0.893 446 R HN 0.132 nan 8.270 nan 0.000 0.443 447 D N -0.205 120.193 120.400 -0.003 0.000 2.398 447 D HA 0.001 4.642 4.640 0.001 0.000 0.210 447 D C 1.317 177.738 176.300 0.203 0.000 1.094 447 D CA 0.106 54.153 54.000 0.078 0.000 0.839 447 D CB 0.286 41.057 40.800 -0.049 0.000 0.963 447 D HN 0.352 nan 8.370 nan 0.000 0.506 448 R N 0.599 121.221 120.500 0.204 0.000 2.241 448 R HA 0.018 4.358 4.340 0.001 0.000 0.224 448 R C 0.778 177.096 176.300 0.029 0.000 1.101 448 R CA 0.890 57.125 56.100 0.226 0.000 0.995 448 R CB -0.232 30.128 30.300 0.101 0.000 0.870 448 R HN -0.077 nan 8.270 nan 0.000 0.463 449 N N 0.231 118.881 118.700 -0.084 0.000 2.353 449 N HA -0.004 4.737 4.740 0.001 0.000 0.185 449 N C -0.451 174.937 175.510 -0.203 0.000 1.098 449 N CA 0.255 53.216 53.050 -0.149 0.000 0.872 449 N CB 0.111 38.486 38.487 -0.187 0.000 0.970 449 N HN 0.296 nan 8.380 nan 0.000 0.467 450 H N 1.589 120.602 119.070 -0.096 0.000 2.800 450 H HA 0.091 4.648 4.556 0.001 0.000 0.291 450 H C -1.194 173.987 175.328 -0.245 0.000 1.076 450 H CA -1.129 54.841 56.048 -0.129 0.000 1.452 450 H CB 1.433 31.150 29.762 -0.075 0.000 1.461 450 H HN 0.083 nan 8.280 nan 0.000 0.488 451 P HA -0.152 nan 4.420 nan 0.000 0.220 451 P C 1.484 178.294 177.300 -0.816 0.000 1.148 451 P CA 1.058 63.799 63.100 -0.597 0.000 0.803 451 P CB 0.295 31.436 31.700 -0.931 0.000 0.782 452 S N -0.609 114.716 115.700 -0.624 0.000 2.399 452 S HA -0.052 4.418 4.470 0.001 0.000 0.231 452 S C 1.109 175.683 174.600 -0.043 0.000 1.022 452 S CA 0.439 58.465 58.200 -0.289 0.000 0.983 452 S CB -1.566 61.622 63.200 -0.020 0.000 0.803 452 S HN -0.055 nan 8.310 nan 0.000 0.480 453 V N 3.686 123.547 119.914 -0.089 0.000 2.446 453 V HA 0.220 4.340 4.120 0.001 0.000 0.276 453 V C 1.107 177.062 176.094 -0.232 0.000 1.030 453 V CA 0.157 62.365 62.300 -0.153 0.000 1.033 453 V CB 0.255 31.891 31.823 -0.311 0.000 0.993 453 V HN 0.651 nan 8.190 nan 0.000 0.477 454 I N 2.507 122.992 120.570 -0.141 0.000 4.323 454 I HA 0.513 4.684 4.170 0.001 0.000 0.328 454 I C 0.362 176.373 176.117 -0.176 0.000 1.310 454 I CA 0.496 61.729 61.300 -0.111 0.000 1.186 454 I CB 0.538 38.557 38.000 0.032 0.000 1.130 454 I HN 0.321 nan 8.210 nan 0.000 0.411 455 I N 0.436 120.876 120.570 -0.217 0.000 2.607 455 I HA 0.341 4.511 4.170 0.001 0.000 0.290 455 I C -1.541 174.476 176.117 -0.166 0.000 1.129 455 I CA -0.402 60.816 61.300 -0.137 0.000 1.042 455 I CB 1.881 39.892 38.000 0.018 0.000 1.242 455 I HN 0.036 nan 8.210 nan 0.000 0.421 456 W N 4.219 125.573 121.300 0.090 0.000 2.376 456 W HA 0.582 5.243 4.660 0.001 0.000 0.322 456 W C 0.542 177.131 176.519 0.116 0.000 1.160 456 W CA -0.543 56.861 57.345 0.098 0.000 1.218 456 W CB 1.534 31.049 29.460 0.091 0.000 1.205 456 W HN 0.323 nan 8.180 nan 0.000 0.559 457 S N 2.790 118.725 115.700 0.392 0.000 2.503 457 S HA 0.410 4.880 4.470 0.001 0.000 0.301 457 S C 0.275 175.041 174.600 0.277 0.000 1.087 457 S CA -0.723 57.654 58.200 0.295 0.000 1.042 457 S CB 0.822 64.149 63.200 0.212 0.000 1.043 457 S HN 0.577 nan 8.310 nan 0.000 0.489 458 L N 4.058 125.435 121.223 0.255 0.000 2.599 458 L HA 0.350 4.690 4.340 0.001 0.000 0.230 458 L C 1.368 178.307 176.870 0.115 0.000 1.141 458 L CA 0.488 55.401 54.840 0.122 0.000 0.877 458 L CB -1.027 41.001 42.059 -0.052 0.000 1.009 458 L HN 0.993 nan 8.230 nan 0.000 0.447 459 G N 0.097 109.045 108.800 0.247 0.000 2.280 459 G HA2 -0.147 3.814 3.960 0.001 0.000 0.277 459 G HA3 -0.147 3.814 3.960 0.001 0.000 0.277 459 G C -1.585 173.510 174.900 0.324 0.000 1.288 459 G CA -0.601 44.654 45.100 0.259 0.000 1.075 459 G HN 0.166 nan 8.290 nan 0.000 0.480 460 N N 0.195 119.025 118.700 0.216 0.000 2.324 460 N HA 0.487 5.227 4.740 0.001 0.000 0.285 460 N C -0.376 175.108 175.510 -0.043 0.000 1.076 460 N CA 0.051 53.088 53.050 -0.022 0.000 0.864 460 N CB 1.644 39.852 38.487 -0.465 0.000 1.632 460 N HN 0.863 nan 8.380 nan 0.000 0.478 461 E N 0.840 120.957 120.200 -0.138 0.000 2.160 461 E HA -0.182 4.169 4.350 0.001 0.000 0.180 461 E C -0.801 175.841 176.600 0.070 0.000 1.452 461 E CA 0.697 57.023 56.400 -0.122 0.000 0.683 461 E CB -1.192 28.289 29.700 -0.365 0.000 1.072 461 E HN 0.434 nan 8.360 nan 0.000 0.332 462 S N 0.076 115.907 115.700 0.218 0.000 2.843 462 S HA 0.389 4.860 4.470 0.001 0.000 0.249 462 S C 0.632 175.431 174.600 0.331 0.000 1.047 462 S CA -0.102 58.265 58.200 0.278 0.000 1.042 462 S CB 1.365 64.779 63.200 0.357 0.000 0.936 462 S HN 0.839 nan 8.310 nan 0.000 0.531 463 G N 1.955 110.895 108.800 0.233 0.000 2.601 463 G HA2 -0.266 3.695 3.960 0.001 0.000 0.261 463 G HA3 -0.266 3.695 3.960 0.001 0.000 0.261 463 G C -0.532 174.593 174.900 0.376 0.000 1.289 463 G CA -0.181 45.049 45.100 0.217 0.000 0.920 463 G HN 0.607 nan 8.290 nan 0.000 0.571 464 H N 0.609 119.816 119.070 0.229 0.000 2.727 464 H HA 0.582 5.138 4.556 0.001 0.000 0.330 464 H C 0.340 175.837 175.328 0.281 0.000 0.986 464 H CA 0.048 56.278 56.048 0.304 0.000 1.251 464 H CB 0.760 30.633 29.762 0.185 0.000 1.493 464 H HN 1.052 nan 8.280 nan 0.000 0.515 465 G N 1.492 110.300 108.800 0.013 0.000 2.630 465 G HA2 0.449 4.409 3.960 0.001 0.000 0.296 465 G HA3 0.449 4.409 3.960 0.001 0.000 0.296 465 G C 0.541 175.267 174.900 -0.289 0.000 1.285 465 G CA -0.142 44.844 45.100 -0.190 0.000 0.958 465 G HN 0.664 nan 8.290 nan 0.000 0.479 466 A N 0.212 122.919 122.820 -0.188 0.000 2.024 466 A HA -0.088 4.232 4.320 0.001 0.000 0.220 466 A C 2.105 179.645 177.584 -0.073 0.000 1.164 466 A CA 1.866 53.839 52.037 -0.107 0.000 0.643 466 A CB -0.413 18.554 19.000 -0.054 0.000 0.806 466 A HN 0.526 nan 8.150 nan 0.000 0.451 467 N N -0.243 118.378 118.700 -0.131 0.000 2.223 467 N HA -0.131 4.610 4.740 0.001 0.000 0.185 467 N C 1.382 176.809 175.510 -0.139 0.000 1.016 467 N CA 1.686 54.648 53.050 -0.146 0.000 0.863 467 N CB -0.661 37.706 38.487 -0.199 0.000 0.983 467 N HN 0.786 nan 8.380 nan 0.000 0.429 468 H N 0.354 119.384 119.070 -0.067 0.000 2.353 468 H HA -0.025 4.531 4.556 0.001 0.000 0.300 468 H C 1.255 176.636 175.328 0.089 0.000 1.090 468 H CA 1.284 57.303 56.048 -0.048 0.000 1.327 468 H CB 0.135 29.858 29.762 -0.064 0.000 1.383 468 H HN 0.182 nan 8.280 nan 0.000 0.508 469 D N 0.418 120.953 120.400 0.226 0.000 2.117 469 D HA -0.132 4.509 4.640 0.001 0.000 0.197 469 D C 2.312 178.756 176.300 0.240 0.000 0.987 469 D CA 1.179 55.323 54.000 0.240 0.000 0.829 469 D CB -0.395 40.512 40.800 0.178 0.000 0.961 469 D HN 0.429 nan 8.370 nan 0.000 0.460 470 A N 0.693 123.602 122.820 0.148 0.000 1.902 470 A HA -0.117 4.203 4.320 0.001 0.000 0.217 470 A C 2.388 180.071 177.584 0.165 0.000 1.181 470 A CA 0.980 53.095 52.037 0.129 0.000 0.623 470 A CB -0.674 18.360 19.000 0.057 0.000 0.818 470 A HN 0.208 nan 8.150 nan 0.000 0.443 471 L N -2.335 118.975 121.223 0.144 0.000 2.209 471 L HA -0.064 4.276 4.340 0.001 0.000 0.207 471 L C 2.493 179.504 176.870 0.235 0.000 1.094 471 L CA 1.071 55.999 54.840 0.147 0.000 0.790 471 L CB -0.590 41.489 42.059 0.033 0.000 0.932 471 L HN 0.591 nan 8.230 nan 0.000 0.447 472 Y N 1.453 121.836 120.300 0.139 0.000 2.097 472 Y HA -0.347 4.203 4.550 0.001 0.000 0.282 472 Y C 2.815 178.798 175.900 0.138 0.000 1.152 472 Y CA 1.876 60.062 58.100 0.144 0.000 1.136 472 Y CB -0.137 38.411 38.460 0.147 0.000 0.975 472 Y HN -0.030 nan 8.280 nan 0.000 0.498 473 R N -0.148 120.437 120.500 0.141 0.000 2.115 473 R HA -0.191 4.150 4.340 0.001 0.000 0.230 473 R C 2.022 178.320 176.300 -0.004 0.000 1.111 473 R CA 1.830 57.941 56.100 0.019 0.000 0.976 473 R CB -1.426 28.969 30.300 0.159 0.000 0.870 473 R HN 0.663 nan 8.270 nan 0.000 0.445 474 W N 0.461 121.715 121.300 -0.076 0.000 2.335 474 W HA -0.141 4.519 4.660 0.001 0.000 0.311 474 W C 1.617 178.046 176.519 -0.151 0.000 1.213 474 W CA 2.016 59.304 57.345 -0.096 0.000 1.274 474 W CB -0.269 29.140 29.460 -0.084 0.000 1.148 474 W HN 0.075 nan 8.180 nan 0.000 0.498 475 I N 0.845 121.403 120.570 -0.019 0.000 2.179 475 I HA -0.363 3.808 4.170 0.001 0.000 0.242 475 I C 2.490 178.409 176.117 -0.330 0.000 1.088 475 I CA 1.410 62.552 61.300 -0.263 0.000 1.357 475 I CB -0.766 37.158 38.000 -0.127 0.000 1.051 475 I HN -0.122 nan 8.210 nan 0.000 0.409 476 K N 0.355 120.570 120.400 -0.308 0.000 2.113 476 K HA -0.188 4.133 4.320 0.001 0.000 0.208 476 K C 2.295 178.756 176.600 -0.232 0.000 1.047 476 K CA 1.589 57.713 56.287 -0.272 0.000 0.928 476 K CB -0.633 31.651 32.500 -0.361 0.000 0.716 476 K HN 0.257 nan 8.250 nan 0.000 0.446 477 S N 0.840 116.370 115.700 -0.283 0.000 2.357 477 S HA -0.094 4.376 4.470 0.001 0.000 0.221 477 S C 2.050 176.442 174.600 -0.347 0.000 1.031 477 S CA 1.369 59.405 58.200 -0.272 0.000 0.982 477 S CB -0.141 62.903 63.200 -0.261 0.000 0.853 477 S HN 0.189 nan 8.310 nan 0.000 0.458 478 V N -0.858 118.709 119.914 -0.578 0.000 2.788 478 V HA 0.257 4.378 4.120 0.001 0.000 0.251 478 V C 0.370 176.228 176.094 -0.395 0.000 1.068 478 V CA 1.455 63.399 62.300 -0.593 0.000 1.090 478 V CB -0.411 30.789 31.823 -1.038 0.000 0.710 478 V HN 0.439 nan 8.190 nan 0.000 0.467 479 D N 0.834 121.047 120.400 -0.311 0.000 2.429 479 D HA 0.363 5.003 4.640 0.001 0.000 0.255 479 D C -2.050 174.234 176.300 -0.028 0.000 1.257 479 D CA -1.694 52.237 54.000 -0.115 0.000 0.890 479 D CB 1.609 42.421 40.800 0.019 0.000 1.267 479 D HN 0.209 nan 8.370 nan 0.000 0.521 480 P HA -0.037 nan 4.420 nan 0.000 0.242 480 P C 1.020 178.338 177.300 0.030 0.000 1.197 480 P CA 0.356 63.448 63.100 -0.013 0.000 0.765 480 P CB 0.155 31.840 31.700 -0.026 0.000 0.936 481 S N -1.005 114.722 115.700 0.044 0.000 2.489 481 S HA 0.044 4.514 4.470 0.001 0.000 0.228 481 S C 0.960 175.587 174.600 0.044 0.000 0.995 481 S CA -0.097 58.135 58.200 0.052 0.000 0.934 481 S CB -0.390 62.835 63.200 0.042 0.000 0.771 481 S HN 0.105 nan 8.310 nan 0.000 0.522 482 R N 1.461 121.998 120.500 0.061 0.000 2.561 482 R HA 0.532 4.873 4.340 0.001 0.000 0.297 482 R C -3.181 173.172 176.300 0.088 0.000 0.969 482 R CA -2.306 53.798 56.100 0.007 0.000 0.879 482 R CB 1.466 31.640 30.300 -0.211 0.000 1.178 482 R HN 0.155 nan 8.270 nan 0.000 0.445 483 P HA 0.013 nan 4.420 nan 0.000 0.269 483 P C -0.736 176.674 177.300 0.184 0.000 1.215 483 P CA -0.280 62.889 63.100 0.114 0.000 0.780 483 P CB 0.622 32.374 31.700 0.086 0.000 0.898 484 V N 2.629 122.687 119.914 0.239 0.000 2.459 484 V HA 0.403 4.523 4.120 0.001 0.000 0.295 484 V C 0.276 176.558 176.094 0.313 0.000 1.029 484 V CA -0.292 62.201 62.300 0.321 0.000 0.874 484 V CB 1.067 33.085 31.823 0.325 0.000 0.985 484 V HN 0.606 nan 8.190 nan 0.000 0.438 485 Q N 3.751 123.714 119.800 0.272 0.000 2.433 485 Q HA 0.805 5.146 4.340 0.001 0.000 0.279 485 Q C -1.836 174.332 176.000 0.279 0.000 1.105 485 Q CA -0.914 55.017 55.803 0.214 0.000 0.815 485 Q CB 2.949 31.762 28.738 0.125 0.000 1.403 485 Q HN 0.651 nan 8.270 nan 0.000 0.435 486 Y N 0.094 120.411 120.300 0.028 0.000 2.357 486 Y HA 0.133 4.683 4.550 0.001 0.000 0.319 486 Y C -0.511 175.343 175.900 -0.076 0.000 1.225 486 Y CA -0.716 57.370 58.100 -0.023 0.000 1.095 486 Y CB 1.978 40.415 38.460 -0.039 0.000 1.302 486 Y HN 0.952 nan 8.280 nan 0.000 0.429 487 E N 3.368 123.121 120.200 -0.745 0.000 2.250 487 E HA 0.117 4.467 4.350 0.001 0.000 0.192 487 E C 0.668 176.854 176.600 -0.690 0.000 0.986 487 E CA 0.782 56.842 56.400 -0.567 0.000 0.849 487 E CB 0.217 29.699 29.700 -0.363 0.000 0.797 487 E HN 0.883 nan 8.360 nan 0.000 0.482 488 G N -0.237 107.758 108.800 -1.341 0.000 2.484 488 G HA2 0.246 4.206 3.960 0.001 0.000 0.235 488 G HA3 0.246 4.206 3.960 0.001 0.000 0.235 488 G C 0.777 175.548 174.900 -0.216 0.000 1.282 488 G CA 0.282 44.990 45.100 -0.653 0.000 0.857 488 G HN 0.342 nan 8.290 nan 0.000 0.571 489 G N -0.354 108.428 108.800 -0.029 0.000 2.147 489 G HA2 0.239 4.200 3.960 0.001 0.000 0.244 489 G HA3 0.239 4.200 3.960 0.001 0.000 0.244 489 G C 1.228 176.144 174.900 0.027 0.000 1.005 489 G CA 0.949 46.089 45.100 0.065 0.000 0.713 489 G HN 2.629 nan 8.290 nan 0.000 0.515 490 G N -1.495 107.315 108.800 0.017 0.000 2.175 490 G HA2 0.450 4.411 3.960 0.001 0.000 0.182 490 G HA3 0.450 4.411 3.960 0.001 0.000 0.182 490 G C 1.003 176.033 174.900 0.217 0.000 1.003 490 G CA 1.236 46.408 45.100 0.119 0.000 0.666 490 G HN 2.369 nan 8.290 nan 0.000 0.506 491 A N -0.359 122.472 122.820 0.019 0.000 3.396 491 A HA -0.105 4.215 4.320 0.001 0.000 0.267 491 A C 1.111 178.645 177.584 -0.083 0.000 1.139 491 A CA 2.586 54.574 52.037 -0.081 0.000 1.115 491 A CB -1.740 17.181 19.000 -0.132 0.000 1.133 491 A HN 2.123 nan 8.150 nan 0.000 0.920 492 D N -0.837 119.594 120.400 0.050 0.000 2.692 492 D HA 0.308 4.949 4.640 0.001 0.000 0.290 492 D C 0.420 176.721 176.300 0.002 0.000 1.455 492 D CA 0.862 54.899 54.000 0.061 0.000 0.796 492 D CB -1.156 39.828 40.800 0.307 0.000 1.131 492 D HN 0.833 nan 8.370 nan 0.000 0.467 493 T N -2.391 112.095 114.554 -0.113 0.000 2.698 493 T HA 0.195 4.546 4.350 0.001 0.000 0.295 493 T C 1.616 176.181 174.700 -0.225 0.000 1.007 493 T CA 0.467 62.415 62.100 -0.253 0.000 0.980 493 T CB 0.795 69.254 68.868 -0.682 0.000 1.036 493 T HN 0.087 nan 8.240 nan 0.000 0.526 494 T N -2.580 111.832 114.554 -0.237 0.000 3.163 494 T HA 0.203 4.553 4.350 0.001 0.000 0.260 494 T C 1.478 175.945 174.700 -0.388 0.000 1.156 494 T CA 0.283 62.267 62.100 -0.194 0.000 1.072 494 T CB -0.485 68.354 68.868 -0.049 0.000 0.937 494 T HN 0.839 nan 8.240 nan 0.000 0.528 495 A N 0.422 123.049 122.820 -0.323 0.000 2.507 495 A HA 0.530 4.850 4.320 0.001 0.000 0.270 495 A C 0.752 178.207 177.584 -0.214 0.000 1.318 495 A CA -0.344 51.492 52.037 -0.335 0.000 0.924 495 A CB 0.073 19.149 19.000 0.126 0.000 1.061 495 A HN 0.417 nan 8.150 nan 0.000 0.516 496 T N -1.307 113.104 114.554 -0.239 0.000 3.032 496 T HA 0.348 4.699 4.350 0.001 0.000 0.312 496 T C -0.656 174.056 174.700 0.021 0.000 1.078 496 T CA -0.451 61.648 62.100 -0.001 0.000 1.028 496 T CB 1.178 70.052 68.868 0.011 0.000 1.091 496 T HN 0.102 nan 8.240 nan 0.000 0.457 497 D N 2.976 123.468 120.400 0.153 0.000 2.348 497 D HA 0.238 4.879 4.640 0.001 0.000 0.211 497 D C 0.353 176.687 176.300 0.055 0.000 0.998 497 D CA 0.744 54.825 54.000 0.135 0.000 0.873 497 D CB 0.452 41.367 40.800 0.191 0.000 0.925 497 D HN 0.539 nan 8.370 nan 0.000 0.524 498 I N 1.063 121.649 120.570 0.026 0.000 2.499 498 I HA 0.234 4.405 4.170 0.001 0.000 0.288 498 I C -0.243 175.817 176.117 -0.095 0.000 1.048 498 I CA -0.853 60.430 61.300 -0.029 0.000 1.062 498 I CB 2.711 40.706 38.000 -0.009 0.000 1.238 498 I HN -0.341 nan 8.210 nan 0.000 0.426 499 I N 6.001 126.471 120.570 -0.168 0.000 2.581 499 I HA 0.004 4.175 4.170 0.001 0.000 0.285 499 I C 0.325 176.238 176.117 -0.341 0.000 1.129 499 I CA 0.156 61.261 61.300 -0.325 0.000 1.397 499 I CB 0.036 37.732 38.000 -0.505 0.000 1.399 499 I HN 0.698 nan 8.210 nan 0.000 0.537 500 C N 5.780 124.890 119.300 -0.317 0.000 3.401 500 C HA 0.468 4.928 4.460 0.001 0.000 0.204 500 C C -2.153 172.700 174.990 -0.228 0.000 1.522 500 C CA -2.195 56.691 59.018 -0.220 0.000 1.409 500 C CB -0.814 26.859 27.740 -0.112 0.000 1.967 500 C HN 0.436 nan 8.230 nan 0.000 0.496 501 P HA 0.282 nan 4.420 nan 0.000 0.272 501 P C -0.397 176.847 177.300 -0.093 0.000 1.240 501 P CA 0.373 63.367 63.100 -0.176 0.000 0.791 501 P CB 0.847 32.437 31.700 -0.183 0.000 0.978 502 M N 0.566 120.135 119.600 -0.051 0.000 2.149 502 M HA 0.419 4.899 4.480 0.001 0.000 0.342 502 M C -0.721 175.581 176.300 0.002 0.000 1.068 502 M CA -0.633 54.542 55.300 -0.209 0.000 0.991 502 M CB 0.798 33.251 32.600 -0.246 0.000 1.596 502 M HN 0.321 nan 8.290 nan 0.000 0.439 503 Y N -0.079 120.380 120.300 0.265 0.000 4.177 503 Y HA -0.221 4.330 4.550 0.001 0.000 0.227 503 Y C 0.559 176.633 175.900 0.290 0.000 1.154 503 Y CA 0.407 58.674 58.100 0.278 0.000 1.887 503 Y CB -2.255 36.349 38.460 0.241 0.000 1.594 503 Y HN 0.974 nan 8.280 nan 0.000 0.668 504 A N 1.159 124.198 122.820 0.365 0.000 2.477 504 A HA 0.520 4.840 4.320 0.001 0.000 0.246 504 A C 0.737 178.541 177.584 0.366 0.000 1.078 504 A CA -0.323 51.934 52.037 0.366 0.000 0.770 504 A CB 0.351 19.600 19.000 0.415 0.000 1.011 504 A HN 0.436 nan 8.150 nan 0.000 0.494 505 R N 1.557 122.204 120.500 0.244 0.000 2.546 505 R HA 0.363 4.704 4.340 0.001 0.000 0.266 505 R C 1.016 177.279 176.300 -0.061 0.000 1.086 505 R CA -0.763 55.405 56.100 0.113 0.000 1.160 505 R CB 0.726 31.065 30.300 0.066 0.000 1.138 505 R HN 0.491 nan 8.270 nan 0.000 0.567 506 V N 0.673 120.387 119.914 -0.334 0.000 2.255 506 V HA -0.205 3.915 4.120 0.001 0.000 0.243 506 V C 1.034 177.011 176.094 -0.196 0.000 1.038 506 V CA 1.847 63.915 62.300 -0.386 0.000 1.008 506 V CB -0.247 31.222 31.823 -0.589 0.000 0.645 506 V HN 0.752 nan 8.190 nan 0.000 0.449 507 D N -1.267 119.049 120.400 -0.139 0.000 2.423 507 D HA 0.089 4.729 4.640 0.001 0.000 0.212 507 D C 0.931 177.214 176.300 -0.027 0.000 1.060 507 D CA 0.096 54.052 54.000 -0.074 0.000 0.872 507 D CB 0.677 41.440 40.800 -0.062 0.000 1.012 507 D HN 0.486 nan 8.370 nan 0.000 0.503 508 E N 1.902 122.090 120.200 -0.020 0.000 2.174 508 E HA 0.101 4.452 4.350 0.001 0.000 0.282 508 E C -0.867 175.737 176.600 0.006 0.000 0.992 508 E CA -0.611 55.787 56.400 -0.004 0.000 0.803 508 E CB 0.964 30.662 29.700 -0.004 0.000 1.090 508 E HN -0.192 nan 8.360 nan 0.000 0.396 509 D N 3.780 124.185 120.400 0.008 0.000 2.345 509 D HA 0.091 4.731 4.640 0.001 0.000 0.247 509 D C -0.593 175.610 176.300 -0.163 0.000 1.108 509 D CA 0.299 54.298 54.000 -0.001 0.000 0.894 509 D CB 1.141 42.004 40.800 0.106 0.000 1.203 509 D HN 0.412 nan 8.370 nan 0.000 0.430 510 Q N 2.081 121.674 119.800 -0.346 0.000 2.607 510 Q HA 0.248 4.588 4.340 0.001 0.000 0.247 510 Q C -2.170 173.215 176.000 -1.026 0.000 1.033 510 Q CA -1.552 53.837 55.803 -0.690 0.000 0.769 510 Q CB 2.162 30.475 28.738 -0.709 0.000 1.169 510 Q HN 0.172 nan 8.270 nan 0.000 0.508 511 P HA 0.028 nan 4.420 nan 0.000 0.220 511 P C -0.724 176.272 177.300 -0.507 0.000 1.806 511 P CA -0.155 62.527 63.100 -0.697 0.000 0.976 511 P CB -0.545 30.953 31.700 -0.338 0.000 1.952 512 F N 1.822 121.597 119.950 -0.291 0.000 2.563 512 F HA 0.138 4.666 4.527 0.001 0.000 0.363 512 F C -1.209 174.481 175.800 -0.183 0.000 1.123 512 F CA -2.211 55.676 58.000 -0.189 0.000 1.307 512 F CB -0.661 38.248 39.000 -0.152 0.000 1.115 512 F HN 0.065 nan 8.300 nan 0.000 0.592 513 P HA 0.087 nan 4.420 nan 0.000 0.265 513 P C 0.302 177.612 177.300 0.017 0.000 1.193 513 P CA 1.187 64.300 63.100 0.021 0.000 0.765 513 P CB 1.035 32.748 31.700 0.021 0.000 0.823 514 A N 2.866 125.689 122.820 0.006 0.000 3.275 514 A HA -0.242 4.079 4.320 0.001 0.000 0.241 514 A C 0.740 178.331 177.584 0.011 0.000 0.607 514 A CA 1.946 53.992 52.037 0.016 0.000 1.181 514 A CB -2.629 16.383 19.000 0.020 0.000 1.304 514 A HN 0.692 nan 8.150 nan 0.000 0.682 515 V N -2.917 116.997 119.914 0.000 0.000 2.468 515 V HA 0.556 4.677 4.120 0.001 0.000 0.256 515 V C -2.410 173.666 176.094 -0.029 0.000 0.998 515 V CA -1.232 61.071 62.300 0.004 0.000 1.114 515 V CB 0.621 32.457 31.823 0.023 0.000 1.378 515 V HN 0.490 nan 8.190 nan 0.000 0.573 516 P HA 0.264 nan 4.420 nan 0.000 0.271 516 P C -0.611 176.259 177.300 -0.718 0.000 1.218 516 P CA 0.141 62.830 63.100 -0.686 0.000 0.780 516 P CB 1.009 31.815 31.700 -1.489 0.000 0.901 517 K N 2.770 122.853 120.400 -0.529 0.000 2.357 517 K HA 0.204 4.524 4.320 0.001 0.000 0.251 517 K C -0.346 176.019 176.600 -0.392 0.000 1.069 517 K CA -0.288 55.869 56.287 -0.217 0.000 0.994 517 K CB 0.314 32.933 32.500 0.199 0.000 1.411 517 K HN 0.462 nan 8.250 nan 0.000 0.450 518 W N 1.424 122.452 121.300 -0.453 0.000 2.126 518 W HA 0.022 4.683 4.660 0.001 0.000 0.346 518 W C 1.311 177.863 176.519 0.054 0.000 1.279 518 W CA -0.486 56.678 57.345 -0.301 0.000 1.259 518 W CB 0.408 29.519 29.460 -0.581 0.000 1.133 518 W HN 0.387 nan 8.180 nan 0.000 0.592 519 S N 3.402 119.267 115.700 0.274 0.000 2.593 519 S HA -0.106 4.364 4.470 0.001 0.000 0.300 519 S C 1.197 175.948 174.600 0.253 0.000 1.267 519 S CA -0.031 58.274 58.200 0.176 0.000 1.065 519 S CB 0.093 63.337 63.200 0.073 0.000 0.807 519 S HN 0.514 nan 8.310 nan 0.000 0.499 520 I N 2.620 123.296 120.570 0.176 0.000 2.286 520 I HA -0.150 4.020 4.170 0.001 0.000 0.248 520 I C 2.063 178.198 176.117 0.030 0.000 1.115 520 I CA 1.237 62.634 61.300 0.163 0.000 1.392 520 I CB -0.441 37.595 38.000 0.060 0.000 1.065 520 I HN 0.609 nan 8.210 nan 0.000 0.418 521 K N 1.569 121.883 120.400 -0.144 0.000 2.057 521 K HA -0.183 4.138 4.320 0.001 0.000 0.207 521 K C 2.289 178.877 176.600 -0.020 0.000 1.049 521 K CA 1.791 57.906 56.287 -0.288 0.000 0.931 521 K CB -0.230 32.016 32.500 -0.424 0.000 0.714 521 K HN 0.399 nan 8.250 nan 0.000 0.440 522 K N 0.328 120.744 120.400 0.026 0.000 2.057 522 K HA -0.177 4.143 4.320 0.001 0.000 0.206 522 K C 1.956 178.577 176.600 0.035 0.000 1.050 522 K CA 0.949 57.239 56.287 0.006 0.000 0.935 522 K CB -0.091 32.385 32.500 -0.041 0.000 0.715 522 K HN 0.212 nan 8.250 nan 0.000 0.439 523 W N 2.055 123.335 121.300 -0.034 0.000 2.338 523 W HA -0.197 4.463 4.660 0.001 0.000 0.304 523 W C 1.638 178.139 176.519 -0.031 0.000 1.212 523 W CA 1.209 58.548 57.345 -0.009 0.000 1.264 523 W CB -0.627 28.905 29.460 0.121 0.000 1.142 523 W HN 0.109 nan 8.180 nan 0.000 0.512 524 L N 0.751 122.126 121.223 0.254 0.000 2.079 524 L HA -0.250 4.091 4.340 0.001 0.000 0.210 524 L C 2.248 179.184 176.870 0.109 0.000 1.081 524 L CA 2.045 56.973 54.840 0.146 0.000 0.752 524 L CB -1.010 41.122 42.059 0.122 0.000 0.896 524 L HN -0.007 nan 8.230 nan 0.000 0.433 525 S N -1.469 114.279 115.700 0.079 0.000 2.572 525 S HA 0.261 4.731 4.470 0.001 0.000 0.228 525 S C 0.524 175.110 174.600 -0.024 0.000 0.963 525 S CA -0.562 57.656 58.200 0.031 0.000 0.939 525 S CB -0.412 62.808 63.200 0.033 0.000 0.804 525 S HN 0.146 nan 8.310 nan 0.000 0.480 526 L N 2.106 123.302 121.223 -0.045 0.000 2.514 526 L HA 0.213 4.553 4.340 0.001 0.000 0.280 526 L C -2.199 174.635 176.870 -0.061 0.000 1.223 526 L CA -1.612 53.154 54.840 -0.123 0.000 0.864 526 L CB -0.340 41.610 42.059 -0.183 0.000 1.118 526 L HN 0.034 nan 8.230 nan 0.000 0.494 527 P HA -0.048 nan 4.420 nan 0.000 0.258 527 P C 0.752 178.044 177.300 -0.014 0.000 1.172 527 P CA 1.206 64.281 63.100 -0.042 0.000 0.762 527 P CB 0.454 32.123 31.700 -0.052 0.000 0.764 528 G N 2.046 110.846 108.800 -0.001 0.000 2.225 528 G HA2 -0.267 3.694 3.960 0.001 0.000 0.254 528 G HA3 -0.267 3.694 3.960 0.001 0.000 0.254 528 G C 0.273 175.189 174.900 0.027 0.000 0.988 528 G CA 0.005 45.113 45.100 0.013 0.000 0.625 528 G HN 0.600 nan 8.290 nan 0.000 0.527 529 E N 1.206 121.428 120.200 0.035 0.000 2.316 529 E HA 0.584 4.934 4.350 0.001 0.000 0.275 529 E C 1.414 178.041 176.600 0.045 0.000 1.029 529 E CA 0.726 57.161 56.400 0.058 0.000 0.871 529 E CB 0.820 30.581 29.700 0.101 0.000 1.022 529 E HN 0.523 nan 8.360 nan 0.000 0.418 530 T N 0.702 115.280 114.554 0.040 0.000 2.986 530 T HA 0.312 4.663 4.350 0.001 0.000 0.264 530 T C 0.639 175.353 174.700 0.023 0.000 0.964 530 T CA -0.414 61.703 62.100 0.030 0.000 0.895 530 T CB 0.121 69.005 68.868 0.027 0.000 1.163 530 T HN 0.238 nan 8.240 nan 0.000 0.517 531 R N 2.581 123.092 120.500 0.018 0.000 2.679 531 R HA 0.395 4.736 4.340 0.001 0.000 0.269 531 R C -2.441 173.846 176.300 -0.022 0.000 1.076 531 R CA -1.757 54.343 56.100 0.000 0.000 1.160 531 R CB 0.034 30.328 30.300 -0.009 0.000 1.054 531 R HN 0.266 nan 8.270 nan 0.000 0.507 532 P HA 0.029 nan 4.420 nan 0.000 0.272 532 P C -1.003 176.232 177.300 -0.109 0.000 1.230 532 P CA 0.011 63.074 63.100 -0.062 0.000 0.788 532 P CB 0.691 32.355 31.700 -0.059 0.000 0.949 533 L N 3.102 124.240 121.223 -0.142 0.000 2.343 533 L HA 0.532 4.872 4.340 0.001 0.000 0.278 533 L C -0.872 175.858 176.870 -0.233 0.000 0.996 533 L CA -0.672 54.043 54.840 -0.207 0.000 0.831 533 L CB 0.455 42.381 42.059 -0.220 0.000 1.232 533 L HN 0.232 nan 8.230 nan 0.000 0.413 534 I N 5.638 126.078 120.570 -0.216 0.000 2.439 534 I HA 0.269 4.439 4.170 0.001 0.000 0.285 534 I C -0.628 175.399 176.117 -0.149 0.000 1.021 534 I CA -0.546 60.613 61.300 -0.235 0.000 1.091 534 I CB 1.904 39.819 38.000 -0.141 0.000 1.242 534 I HN 0.458 nan 8.210 nan 0.000 0.439 535 L N 5.773 126.880 121.223 -0.194 0.000 2.534 535 L HA 0.003 4.343 4.340 0.001 0.000 0.271 535 L C 1.530 178.476 176.870 0.127 0.000 1.178 535 L CA -0.091 54.699 54.840 -0.083 0.000 0.907 535 L CB 0.555 42.535 42.059 -0.132 0.000 1.164 535 L HN 0.894 nan 8.230 nan 0.000 0.482 536 C N 0.616 119.970 119.300 0.090 0.000 2.446 536 C HA 0.105 4.566 4.460 0.001 0.000 0.279 536 C C 0.670 175.788 174.990 0.214 0.000 1.366 536 C CA -0.097 59.012 59.018 0.152 0.000 1.763 536 C CB -0.952 26.790 27.740 0.003 0.000 1.929 536 C HN 0.821 nan 8.230 nan 0.000 0.509 537 E N -0.863 119.387 120.200 0.082 0.000 2.321 537 E HA 0.625 4.976 4.350 0.001 0.000 0.278 537 E C -1.323 175.199 176.600 -0.131 0.000 0.902 537 E CA -0.400 56.013 56.400 0.022 0.000 0.758 537 E CB 2.006 31.539 29.700 -0.277 0.000 1.213 537 E HN 0.677 nan 8.360 nan 0.000 0.426 538 Y N -0.969 119.285 120.300 -0.077 0.000 2.713 538 Y HA 0.603 5.154 4.550 0.001 0.000 0.335 538 Y C -0.807 175.230 175.900 0.227 0.000 1.222 538 Y CA -0.820 57.260 58.100 -0.033 0.000 1.061 538 Y CB 0.795 39.100 38.460 -0.258 0.000 1.314 538 Y HN 0.665 nan 8.280 nan 0.000 0.453 539 A N 2.110 124.921 122.820 -0.015 0.000 2.251 539 A HA -0.267 4.054 4.320 0.001 0.000 0.283 539 A C -0.263 177.420 177.584 0.164 0.000 1.415 539 A CA 1.136 53.191 52.037 0.029 0.000 0.742 539 A CB -2.459 16.491 19.000 -0.085 0.000 1.151 539 A HN 1.084 nan 8.150 nan 0.000 0.354 540 H N 0.534 119.740 119.070 0.226 0.000 3.145 540 H HA 0.225 4.782 4.556 0.001 0.000 0.288 540 H C 1.039 176.397 175.328 0.051 0.000 0.969 540 H CA 1.048 57.228 56.048 0.221 0.000 1.444 540 H CB 0.497 30.273 29.762 0.024 0.000 1.500 540 H HN 0.812 nan 8.280 nan 0.000 0.552 541 A N 6.902 129.600 122.820 -0.203 0.000 3.163 541 A HA 0.110 4.431 4.320 0.001 0.000 0.283 541 A C 0.719 178.086 177.584 -0.362 0.000 1.412 541 A CA -0.483 51.398 52.037 -0.260 0.000 1.053 541 A CB -0.441 18.395 19.000 -0.273 0.000 1.082 541 A HN 0.779 nan 8.150 nan 0.000 0.639 542 M N 1.602 121.023 119.600 -0.298 0.000 2.105 542 M HA 0.447 4.928 4.480 0.001 0.000 0.350 542 M C 1.007 177.098 176.300 -0.348 0.000 1.308 542 M CA 1.214 56.336 55.300 -0.297 0.000 1.108 542 M CB -0.025 32.491 32.600 -0.141 0.000 1.622 542 M HN 0.845 nan 8.290 nan 0.000 0.468 543 G N 4.379 112.929 108.800 -0.418 0.000 2.566 543 G HA2 -0.342 3.619 3.960 0.001 0.000 0.280 543 G HA3 -0.342 3.619 3.960 0.001 0.000 0.280 543 G C -0.117 174.325 174.900 -0.764 0.000 1.225 543 G CA 0.009 44.779 45.100 -0.551 0.000 0.966 543 G HN 0.830 nan 8.290 nan 0.000 0.560 544 N N 1.405 119.479 118.700 -1.044 0.000 2.434 544 N HA 0.442 5.183 4.740 0.001 0.000 0.273 544 N C 0.008 175.255 175.510 -0.439 0.000 1.210 544 N CA 1.179 53.762 53.050 -0.777 0.000 0.992 544 N CB 0.252 38.285 38.487 -0.757 0.000 1.355 544 N HN 0.791 nan 8.380 nan 0.000 0.495 545 S N 1.894 117.411 115.700 -0.305 0.000 2.903 545 S HA 0.592 5.063 4.470 0.001 0.000 0.314 545 S C -0.079 174.433 174.600 -0.146 0.000 1.177 545 S CA -0.415 57.656 58.200 -0.216 0.000 0.859 545 S CB 0.245 63.324 63.200 -0.203 0.000 1.265 545 S HN 0.380 nan 8.310 nan 0.000 0.584 546 L N 0.231 121.402 121.223 -0.087 0.000 4.406 546 L HA -0.066 4.274 4.340 0.001 0.000 0.406 546 L C 0.481 177.382 176.870 0.052 0.000 1.133 546 L CA 0.874 55.697 54.840 -0.027 0.000 0.974 546 L CB -1.675 40.279 42.059 -0.175 0.000 2.152 546 L HN 0.730 nan 8.230 nan 0.000 0.736 547 G N -0.721 108.079 108.800 0.000 0.000 2.365 547 G HA2 0.477 4.437 3.960 0.001 0.000 0.249 547 G HA3 0.477 4.437 3.960 0.001 0.000 0.249 547 G C 1.212 176.151 174.900 0.065 0.000 1.288 547 G CA 0.161 45.243 45.100 -0.029 0.000 0.887 547 G HN 1.405 nan 8.290 nan 0.000 0.524 548 G N 1.677 110.513 108.800 0.060 0.000 2.157 548 G HA2 -0.313 3.647 3.960 0.001 0.000 0.248 548 G HA3 -0.313 3.647 3.960 0.001 0.000 0.248 548 G C 0.952 176.039 174.900 0.311 0.000 0.979 548 G CA 0.707 45.902 45.100 0.159 0.000 0.650 548 G HN 0.774 nan 8.290 nan 0.000 0.529 549 F N 1.696 121.768 119.950 0.203 0.000 2.171 549 F HA 0.149 4.677 4.527 0.001 0.000 0.300 549 F C 2.650 178.664 175.800 0.357 0.000 1.090 549 F CA 2.449 60.639 58.000 0.316 0.000 1.293 549 F CB -0.378 38.747 39.000 0.209 0.000 1.013 549 F HN 0.338 nan 8.300 nan 0.000 0.486 550 A N -0.297 122.698 122.820 0.292 0.000 1.972 550 A HA -0.242 4.079 4.320 0.001 0.000 0.219 550 A C 2.288 179.915 177.584 0.072 0.000 1.169 550 A CA 1.769 53.913 52.037 0.180 0.000 0.635 550 A CB -0.797 18.313 19.000 0.182 0.000 0.810 550 A HN 0.445 nan 8.150 nan 0.000 0.446 551 K N -1.579 118.846 120.400 0.041 0.000 2.097 551 K HA -0.185 4.135 4.320 0.001 0.000 0.206 551 K C 1.724 178.127 176.600 -0.329 0.000 1.049 551 K CA 1.692 57.918 56.287 -0.102 0.000 0.933 551 K CB -0.325 32.113 32.500 -0.104 0.000 0.717 551 K HN 0.584 nan 8.250 nan 0.000 0.442 552 Y N -0.909 119.142 120.300 -0.415 0.000 2.145 552 Y HA -0.250 4.300 4.550 0.001 0.000 0.286 552 Y C 2.003 176.984 175.900 -1.533 0.000 1.145 552 Y CA 1.642 59.139 58.100 -1.005 0.000 1.148 552 Y CB -0.305 37.562 38.460 -0.989 0.000 0.981 552 Y HN 0.187 nan 8.280 nan 0.000 0.507 553 W N -0.140 120.747 121.300 -0.687 0.000 2.402 553 W HA -0.168 4.492 4.660 0.001 0.000 0.286 553 W C 2.608 178.983 176.519 -0.239 0.000 1.221 553 W CA 1.276 58.363 57.345 -0.430 0.000 1.257 553 W CB -0.491 28.803 29.460 -0.277 0.000 1.120 553 W HN 0.040 nan 8.180 nan 0.000 0.551 554 Q N 0.918 120.687 119.800 -0.051 0.000 2.061 554 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 554 Q C 2.208 178.177 176.000 -0.051 0.000 0.984 554 Q CA 2.182 57.972 55.803 -0.021 0.000 0.846 554 Q CB -0.640 28.090 28.738 -0.014 0.000 0.902 554 Q HN 0.272 nan 8.270 nan 0.000 0.421 555 A N 0.324 123.027 122.820 -0.196 0.000 1.877 555 A HA -0.156 4.164 4.320 0.001 0.000 0.216 555 A C 1.879 179.445 177.584 -0.031 0.000 1.186 555 A CA 1.393 53.326 52.037 -0.174 0.000 0.620 555 A CB -0.921 17.840 19.000 -0.397 0.000 0.822 555 A HN 0.385 nan 8.150 nan 0.000 0.443 556 F N 0.166 119.968 119.950 -0.247 0.000 2.120 556 F HA -0.171 4.357 4.527 0.001 0.000 0.300 556 F C 2.538 178.262 175.800 -0.127 0.000 1.095 556 F CA 1.469 59.288 58.000 -0.302 0.000 1.249 556 F CB -0.910 37.697 39.000 -0.654 0.000 0.995 556 F HN 0.189 nan 8.300 nan 0.000 0.480 557 R N -0.364 120.216 120.500 0.134 0.000 2.115 557 R HA -0.130 4.211 4.340 0.001 0.000 0.226 557 R C 2.167 178.514 176.300 0.077 0.000 1.100 557 R CA 1.057 57.213 56.100 0.093 0.000 0.980 557 R CB -0.433 29.918 30.300 0.084 0.000 0.875 557 R HN 0.384 nan 8.270 nan 0.000 0.445 558 Q N -0.203 119.669 119.800 0.121 0.000 2.137 558 Q HA -0.076 4.265 4.340 0.001 0.000 0.198 558 Q C -0.420 175.617 176.000 0.062 0.000 0.960 558 Q CA 1.021 56.886 55.803 0.102 0.000 0.847 558 Q CB 0.336 29.168 28.738 0.156 0.000 0.915 558 Q HN 0.196 nan 8.270 nan 0.000 0.448 559 Y N 0.326 120.615 120.300 -0.017 0.000 2.385 559 Y HA 0.257 4.807 4.550 0.001 0.000 0.341 559 Y C -1.768 174.113 175.900 -0.033 0.000 0.965 559 Y CA -2.803 55.285 58.100 -0.020 0.000 1.180 559 Y CB 1.348 39.800 38.460 -0.014 0.000 1.139 559 Y HN 0.150 nan 8.280 nan 0.000 0.502 560 P HA -0.219 nan 4.420 nan 0.000 0.216 560 P C 1.150 178.455 177.300 0.009 0.000 1.157 560 P CA 1.962 65.067 63.100 0.007 0.000 0.880 560 P CB 0.304 31.993 31.700 -0.018 0.000 0.791 561 R N -1.292 119.232 120.500 0.041 0.000 2.307 561 R HA 0.111 4.452 4.340 0.001 0.000 0.199 561 R C 0.455 176.741 176.300 -0.023 0.000 1.000 561 R CA 0.042 56.148 56.100 0.010 0.000 1.023 561 R CB -0.432 29.884 30.300 0.027 0.000 0.908 561 R HN 0.243 nan 8.270 nan 0.000 0.473 562 L N 1.976 123.204 121.223 0.008 0.000 2.312 562 L HA 0.117 4.458 4.340 0.001 0.000 0.287 562 L C 0.542 177.272 176.870 -0.233 0.000 1.091 562 L CA 0.235 55.028 54.840 -0.078 0.000 0.846 562 L CB 1.007 43.090 42.059 0.040 0.000 1.219 562 L HN 0.076 nan 8.230 nan 0.000 0.439 563 Q N 2.926 122.507 119.800 -0.365 0.000 2.201 563 Q HA 0.321 4.661 4.340 0.001 0.000 0.236 563 Q C 0.793 176.366 176.000 -0.713 0.000 0.857 563 Q CA 0.062 55.611 55.803 -0.422 0.000 1.025 563 Q CB 1.105 29.688 28.738 -0.258 0.000 1.124 563 Q HN 0.960 nan 8.270 nan 0.000 0.473 564 G N -0.303 107.670 108.800 -1.379 0.000 2.416 564 G HA2 0.092 4.052 3.960 0.001 0.000 0.203 564 G HA3 0.092 4.052 3.960 0.001 0.000 0.203 564 G C -0.278 173.741 174.900 -1.468 0.000 1.227 564 G CA -0.728 43.171 45.100 -2.001 0.000 1.041 564 G HN 0.585 nan 8.290 nan 0.000 0.546 565 G N -2.233 106.001 108.800 -0.943 0.000 2.349 565 G HA2 0.645 4.605 3.960 0.001 0.000 0.294 565 G HA3 0.645 4.605 3.960 0.001 0.000 0.294 565 G C -1.789 173.002 174.900 -0.182 0.000 1.380 565 G CA -0.267 44.521 45.100 -0.520 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.701 120.869 119.950 0.363 0.000 2.402 566 F HA 0.517 5.045 4.527 0.001 0.000 0.355 566 F C 0.777 176.867 175.800 0.484 0.000 1.123 566 F CA -0.800 57.454 58.000 0.423 0.000 1.021 566 F CB 1.999 41.149 39.000 0.249 0.000 1.160 566 F HN 0.233 nan 8.300 nan 0.000 0.451 567 V N 3.461 123.683 119.914 0.513 0.000 2.763 567 V HA -0.158 3.963 4.120 0.001 0.000 0.306 567 V C -0.199 176.058 176.094 0.272 0.000 1.059 567 V CA -0.224 62.175 62.300 0.165 0.000 1.138 567 V CB 0.589 32.531 31.823 0.198 0.000 0.940 567 V HN 0.756 nan 8.190 nan 0.000 0.489 568 W N 6.664 128.024 121.300 0.100 0.000 2.294 568 W HA 0.445 5.105 4.660 0.001 0.000 0.314 568 W C -0.734 175.771 176.519 -0.024 0.000 1.044 568 W CA -0.633 56.796 57.345 0.141 0.000 1.284 568 W CB 1.349 31.029 29.460 0.366 0.000 1.231 568 W HN 0.929 nan 8.180 nan 0.000 0.419 569 D N 2.727 122.890 120.400 -0.395 0.000 3.009 569 D HA 0.108 4.748 4.640 0.001 0.000 0.318 569 D C 0.735 176.877 176.300 -0.263 0.000 1.273 569 D CA -0.510 53.175 54.000 -0.524 0.000 1.001 569 D CB 0.168 40.163 40.800 -1.341 0.000 1.411 569 D HN 0.398 nan 8.370 nan 0.000 0.577 570 W N 0.333 121.386 121.300 -0.412 0.000 2.413 570 W HA 0.174 4.835 4.660 0.001 0.000 0.315 570 W C -0.123 176.261 176.519 -0.225 0.000 1.186 570 W CA 1.011 58.173 57.345 -0.305 0.000 1.326 570 W CB 0.322 29.611 29.460 -0.284 0.000 1.153 570 W HN 0.130 nan 8.180 nan 0.000 0.489 571 V N 2.951 122.712 119.914 -0.254 0.000 2.588 571 V HA 0.234 4.354 4.120 0.001 0.000 0.304 571 V C -0.812 175.162 176.094 -0.199 0.000 1.042 571 V CA -0.775 61.354 62.300 -0.285 0.000 0.877 571 V CB 1.373 33.137 31.823 -0.097 0.000 0.996 571 V HN -0.083 nan 8.190 nan 0.000 0.425 572 D N 4.323 124.620 120.400 -0.171 0.000 2.525 572 D HA 0.061 4.701 4.640 0.001 0.000 0.235 572 D C 0.319 176.523 176.300 -0.160 0.000 1.137 572 D CA 0.749 54.679 54.000 -0.116 0.000 0.868 572 D CB 0.815 41.616 40.800 0.002 0.000 1.180 572 D HN 0.625 nan 8.370 nan 0.000 0.465 573 Q N 1.084 120.736 119.800 -0.248 0.000 3.041 573 Q HA 0.144 4.484 4.340 0.001 0.000 0.372 573 Q C -0.180 175.834 176.000 0.024 0.000 1.241 573 Q CA -0.358 55.109 55.803 -0.561 0.000 1.010 573 Q CB 0.151 28.640 28.738 -0.415 0.000 1.467 573 Q HN 0.355 nan 8.270 nan 0.000 0.462 574 S N -0.228 115.565 115.700 0.154 0.000 2.616 574 S HA 0.662 5.132 4.470 0.001 0.000 0.277 574 S C -0.091 174.636 174.600 0.213 0.000 1.234 574 S CA -0.742 57.623 58.200 0.275 0.000 1.028 574 S CB 1.498 64.843 63.200 0.243 0.000 0.988 574 S HN 0.297 nan 8.310 nan 0.000 0.522 575 L N 1.104 122.365 121.223 0.062 0.000 2.303 575 L HA 0.597 4.938 4.340 0.001 0.000 0.266 575 L C -0.536 176.211 176.870 -0.204 0.000 1.011 575 L CA -1.142 53.620 54.840 -0.129 0.000 0.818 575 L CB 1.433 43.285 42.059 -0.344 0.000 1.326 575 L HN 0.625 nan 8.230 nan 0.000 0.435 576 I N 1.488 121.876 120.570 -0.303 0.000 2.342 576 I HA 0.266 4.437 4.170 0.001 0.000 0.291 576 I C -0.093 175.590 176.117 -0.725 0.000 1.010 576 I CA -0.105 60.880 61.300 -0.526 0.000 1.308 576 I CB 0.863 38.572 38.000 -0.485 0.000 1.400 576 I HN 0.457 nan 8.210 nan 0.000 0.488 577 K N 5.216 124.913 120.400 -1.171 0.000 2.350 577 K HA 0.614 4.934 4.320 0.001 0.000 0.241 577 K C -1.591 174.230 176.600 -1.298 0.000 0.994 577 K CA -0.826 54.714 56.287 -1.245 0.000 0.839 577 K CB 2.231 33.747 32.500 -1.641 0.000 1.244 577 K HN 0.279 nan 8.250 nan 0.000 0.443 578 Y N 0.479 120.550 120.300 -0.381 0.000 2.485 578 Y HA 0.153 4.703 4.550 0.001 0.000 0.345 578 Y C 0.321 176.295 175.900 0.123 0.000 0.998 578 Y CA -0.954 57.087 58.100 -0.098 0.000 1.059 578 Y CB 1.295 39.710 38.460 -0.074 0.000 1.234 578 Y HN 0.696 nan 8.280 nan 0.000 0.461 579 D N 0.016 120.630 120.400 0.357 0.000 2.446 579 D HA 0.134 4.775 4.640 0.001 0.000 0.288 579 D C 0.523 176.916 176.300 0.154 0.000 1.195 579 D CA -0.185 53.969 54.000 0.257 0.000 1.095 579 D CB 0.280 41.196 40.800 0.193 0.000 1.153 579 D HN 0.465 nan 8.370 nan 0.000 0.568 580 E N -1.045 119.214 120.200 0.098 0.000 2.107 580 E HA 0.000 4.351 4.350 0.001 0.000 0.191 580 E C 1.229 177.859 176.600 0.050 0.000 0.982 580 E CA 0.789 57.224 56.400 0.059 0.000 0.809 580 E CB -0.163 29.559 29.700 0.036 0.000 0.756 580 E HN 0.324 nan 8.360 nan 0.000 0.459 581 N N -0.406 118.332 118.700 0.063 0.000 2.398 581 N HA 0.036 4.776 4.740 0.001 0.000 0.188 581 N C 0.550 176.095 175.510 0.058 0.000 1.122 581 N CA 0.828 53.908 53.050 0.050 0.000 0.866 581 N CB 1.118 39.634 38.487 0.048 0.000 0.970 581 N HN 0.249 nan 8.380 nan 0.000 0.462 582 G N 1.271 110.123 108.800 0.086 0.000 2.143 582 G HA2 -0.236 3.724 3.960 0.001 0.000 0.248 582 G HA3 -0.236 3.724 3.960 0.001 0.000 0.248 582 G C -0.181 174.842 174.900 0.206 0.000 0.991 582 G CA -0.354 44.799 45.100 0.088 0.000 0.689 582 G HN 0.262 nan 8.290 nan 0.000 0.522 583 N N 1.809 120.633 118.700 0.208 0.000 2.488 583 N HA 0.422 5.162 4.740 0.001 0.000 0.274 583 N C -2.305 173.332 175.510 0.213 0.000 1.111 583 N CA -1.056 52.112 53.050 0.197 0.000 0.974 583 N CB 1.628 40.200 38.487 0.141 0.000 1.089 583 N HN 0.219 nan 8.380 nan 0.000 0.465 584 P HA 0.262 nan 4.420 nan 0.000 0.279 584 P C -0.516 176.726 177.300 -0.096 0.000 1.239 584 P CA -0.365 62.608 63.100 -0.212 0.000 0.789 584 P CB 0.701 32.271 31.700 -0.216 0.000 0.933 585 W N -0.096 120.967 121.300 -0.396 0.000 3.107 585 W HA 0.444 5.105 4.660 0.001 0.000 0.331 585 W C -1.434 174.893 176.519 -0.320 0.000 1.204 585 W CA -1.124 55.987 57.345 -0.389 0.000 1.184 585 W CB 0.418 29.422 29.460 -0.760 0.000 1.421 585 W HN 0.124 nan 8.180 nan 0.000 0.544 586 S N 1.748 117.487 115.700 0.065 0.000 2.474 586 S HA 0.545 5.016 4.470 0.001 0.000 0.276 586 S C 0.143 174.845 174.600 0.171 0.000 1.227 586 S CA -0.270 57.959 58.200 0.048 0.000 1.050 586 S CB 0.792 64.097 63.200 0.175 0.000 0.939 586 S HN 0.599 nan 8.310 nan 0.000 0.490 587 A N 3.271 126.040 122.820 -0.085 0.000 2.324 587 A HA 0.788 5.109 4.320 0.001 0.000 0.330 587 A C -0.475 177.299 177.584 0.316 0.000 1.165 587 A CA -0.808 51.207 52.037 -0.036 0.000 0.813 587 A CB 0.481 19.133 19.000 -0.581 0.000 1.197 587 A HN 0.804 nan 8.150 nan 0.000 0.484 588 Y N 0.534 121.120 120.300 0.477 0.000 2.782 588 Y HA 0.777 5.328 4.550 0.001 0.000 0.329 588 Y C 0.804 177.019 175.900 0.525 0.000 1.192 588 Y CA -1.509 56.861 58.100 0.450 0.000 1.216 588 Y CB -0.204 38.374 38.460 0.197 0.000 1.447 588 Y HN 0.716 nan 8.280 nan 0.000 0.616 589 G N -0.539 108.497 108.800 0.393 0.000 2.334 589 G HA2 0.410 4.371 3.960 0.001 0.000 0.261 589 G HA3 0.410 4.371 3.960 0.001 0.000 0.261 589 G C 0.743 175.929 174.900 0.477 0.000 1.257 589 G CA 0.154 45.390 45.100 0.227 0.000 0.935 589 G HN 1.799 nan 8.290 nan 0.000 0.480 590 G N 2.239 111.309 108.800 0.451 0.000 2.253 590 G HA2 -0.229 3.731 3.960 0.001 0.000 0.209 590 G HA3 -0.229 3.731 3.960 0.001 0.000 0.209 590 G C 0.814 175.886 174.900 0.286 0.000 0.997 590 G CA 0.483 45.797 45.100 0.356 0.000 0.640 590 G HN 0.578 nan 8.290 nan 0.000 0.496 591 D N -0.037 120.517 120.400 0.257 0.000 2.317 591 D HA 0.127 4.768 4.640 0.001 0.000 0.211 591 D C 1.292 177.526 176.300 -0.109 0.000 0.966 591 D CA 0.465 54.488 54.000 0.039 0.000 0.876 591 D CB -0.074 40.671 40.800 -0.092 0.000 0.927 591 D HN 0.442 nan 8.370 nan 0.000 0.519 592 F N 0.089 120.154 119.950 0.192 0.000 2.645 592 F HA 0.272 4.799 4.527 0.001 0.000 0.300 592 F C 1.687 177.578 175.800 0.151 0.000 1.115 592 F CA -0.166 57.921 58.000 0.145 0.000 1.355 592 F CB 0.457 39.555 39.000 0.163 0.000 1.026 592 F HN -0.083 nan 8.300 nan 0.000 0.536 593 G N 1.128 110.083 108.800 0.259 0.000 2.153 593 G HA2 -0.330 3.631 3.960 0.001 0.000 0.252 593 G HA3 -0.330 3.631 3.960 0.001 0.000 0.252 593 G C -0.409 174.622 174.900 0.219 0.000 0.994 593 G CA 0.286 45.508 45.100 0.202 0.000 0.698 593 G HN 0.541 nan 8.290 nan 0.000 0.521 594 D N -0.409 120.157 120.400 0.275 0.000 2.225 594 D HA 0.603 5.243 4.640 0.001 0.000 0.248 594 D C 0.061 176.483 176.300 0.202 0.000 1.096 594 D CA -0.033 54.117 54.000 0.251 0.000 0.863 594 D CB 1.882 42.867 40.800 0.307 0.000 1.156 594 D HN 0.176 nan 8.370 nan 0.000 0.450 595 T N 1.255 115.904 114.554 0.157 0.000 3.041 595 T HA 0.443 4.794 4.350 0.001 0.000 0.321 595 T C -2.691 172.062 174.700 0.088 0.000 1.184 595 T CA -1.354 60.817 62.100 0.119 0.000 1.050 595 T CB 1.011 69.945 68.868 0.109 0.000 1.159 595 T HN 0.454 nan 8.240 nan 0.000 0.469 596 P HA 0.414 nan 4.420 nan 0.000 0.275 596 P C -0.978 176.353 177.300 0.051 0.000 1.227 596 P CA -0.424 62.704 63.100 0.047 0.000 0.781 596 P CB 0.617 32.323 31.700 0.009 0.000 0.906 597 N N -0.714 118.033 118.700 0.077 0.000 2.453 597 N HA 0.311 5.052 4.740 0.001 0.000 0.290 597 N C -0.717 174.846 175.510 0.088 0.000 1.250 597 N CA -0.855 52.262 53.050 0.112 0.000 0.815 597 N CB 1.038 39.654 38.487 0.216 0.000 1.381 597 N HN 0.193 nan 8.380 nan 0.000 0.510 598 D N -0.150 120.343 120.400 0.155 0.000 2.892 598 D HA 0.118 4.758 4.640 0.001 0.000 0.291 598 D C 0.318 176.798 176.300 0.300 0.000 1.341 598 D CA -0.168 53.923 54.000 0.151 0.000 0.844 598 D CB 0.353 41.151 40.800 -0.004 0.000 1.093 598 D HN 0.675 nan 8.370 nan 0.000 0.480 599 R N 0.884 121.524 120.500 0.233 0.000 3.488 599 R HA -0.309 4.032 4.340 0.001 0.000 0.590 599 R C 0.949 177.146 176.300 -0.172 0.000 0.241 599 R CA 1.381 57.553 56.100 0.120 0.000 1.822 599 R CB -1.460 28.841 30.300 0.001 0.000 0.845 599 R HN 0.184 nan 8.270 nan 0.000 0.628 600 Q N 1.527 120.940 119.800 -0.646 0.000 2.253 600 Q HA 0.072 4.412 4.340 0.001 0.000 0.210 600 Q C 1.017 176.750 176.000 -0.445 0.000 0.907 600 Q CA 0.730 56.014 55.803 -0.865 0.000 0.948 600 Q CB 0.108 28.122 28.738 -1.207 0.000 1.033 600 Q HN 0.601 nan 8.270 nan 0.000 0.471 601 F N 0.992 120.824 119.950 -0.197 0.000 2.802 601 F HA -0.020 4.508 4.527 0.001 0.000 0.300 601 F C 1.837 177.673 175.800 0.059 0.000 1.168 601 F CA 0.360 58.354 58.000 -0.009 0.000 1.433 601 F CB 0.188 39.227 39.000 0.065 0.000 1.115 601 F HN 0.427 nan 8.300 nan 0.000 0.582 602 C N -1.457 117.806 119.300 -0.062 0.000 2.697 602 C HA 0.298 4.758 4.460 0.001 0.000 0.267 602 C C 0.955 175.880 174.990 -0.109 0.000 1.278 602 C CA -0.466 58.438 59.018 -0.190 0.000 1.708 602 C CB -1.490 25.744 27.740 -0.844 0.000 1.860 602 C HN 0.191 nan 8.230 nan 0.000 0.589 603 M N 3.231 122.765 119.600 -0.110 0.000 2.268 603 M HA 0.317 4.797 4.480 0.001 0.000 0.340 603 M C -0.483 175.704 176.300 -0.190 0.000 1.099 603 M CA 0.226 55.452 55.300 -0.124 0.000 1.053 603 M CB 0.232 32.787 32.600 -0.074 0.000 1.284 603 M HN 0.289 nan 8.290 nan 0.000 0.410 604 N N 1.404 119.983 118.700 -0.201 0.000 2.365 604 N HA 0.170 4.911 4.740 0.001 0.000 0.257 604 N C 0.244 175.533 175.510 -0.369 0.000 1.287 604 N CA -0.097 52.770 53.050 -0.305 0.000 0.882 604 N CB 1.368 39.695 38.487 -0.266 0.000 1.250 604 N HN 0.620 nan 8.380 nan 0.000 0.507 605 G N 0.129 108.708 108.800 -0.369 0.000 2.507 605 G HA2 0.425 4.385 3.960 0.001 0.000 0.271 605 G HA3 0.425 4.385 3.960 0.001 0.000 0.271 605 G C 0.951 175.593 174.900 -0.431 0.000 1.189 605 G CA -0.492 44.379 45.100 -0.381 0.000 0.859 605 G HN 0.123 nan 8.290 nan 0.000 0.542 606 L N 0.347 121.329 121.223 -0.402 0.000 2.313 606 L HA 0.118 4.459 4.340 0.001 0.000 0.214 606 L C 0.949 177.642 176.870 -0.296 0.000 1.119 606 L CA 0.338 54.976 54.840 -0.337 0.000 0.809 606 L CB -0.265 41.631 42.059 -0.273 0.000 0.933 606 L HN 0.416 nan 8.230 nan 0.000 0.449 607 V N -4.906 114.718 119.914 -0.483 0.000 2.864 607 V HA 0.473 4.593 4.120 0.001 0.000 0.314 607 V C -0.090 175.819 176.094 -0.310 0.000 1.073 607 V CA -1.311 60.732 62.300 -0.429 0.000 0.956 607 V CB 1.471 32.910 31.823 -0.641 0.000 1.023 607 V HN -0.140 nan 8.190 nan 0.000 0.435 608 F N 1.641 121.410 119.950 -0.302 0.000 2.480 608 F HA 0.505 5.032 4.527 0.001 0.000 0.319 608 F C 1.983 177.696 175.800 -0.146 0.000 1.230 608 F CA 0.701 58.584 58.000 -0.195 0.000 1.285 608 F CB 0.611 39.449 39.000 -0.270 0.000 1.208 608 F HN 0.771 nan 8.300 nan 0.000 0.579 609 A N 0.662 123.566 122.820 0.140 0.000 1.978 609 A HA -0.223 4.098 4.320 0.001 0.000 0.220 609 A C 1.624 179.181 177.584 -0.044 0.000 1.170 609 A CA 1.890 53.962 52.037 0.059 0.000 0.636 609 A CB -0.982 18.076 19.000 0.096 0.000 0.810 609 A HN 0.792 nan 8.150 nan 0.000 0.448 610 D N -2.877 117.501 120.400 -0.037 0.000 2.328 610 D HA 0.125 4.766 4.640 0.001 0.000 0.226 610 D C 0.668 176.945 176.300 -0.038 0.000 1.066 610 D CA 0.020 53.972 54.000 -0.079 0.000 0.861 610 D CB -0.155 40.591 40.800 -0.091 0.000 0.912 610 D HN 0.213 nan 8.370 nan 0.000 0.521 611 R N -1.649 118.835 120.500 -0.027 0.000 3.919 611 R HA -0.125 4.215 4.340 0.001 0.000 0.412 611 R C -0.405 175.878 176.300 -0.028 0.000 1.102 611 R CA 1.061 57.139 56.100 -0.036 0.000 1.082 611 R CB -3.203 27.121 30.300 0.040 0.000 1.671 611 R HN 0.237 nan 8.270 nan 0.000 0.540 612 T N 2.465 117.017 114.554 -0.004 0.000 2.888 612 T HA 0.291 4.641 4.350 0.001 0.000 0.301 612 T C -2.284 172.436 174.700 0.034 0.000 1.001 612 T CA -0.648 61.457 62.100 0.008 0.000 1.147 612 T CB 0.899 69.728 68.868 -0.064 0.000 0.931 612 T HN -0.063 nan 8.240 nan 0.000 0.541 613 P HA 0.150 nan 4.420 nan 0.000 0.275 613 P C 0.070 177.295 177.300 -0.124 0.000 1.227 613 P CA -0.348 62.701 63.100 -0.086 0.000 0.781 613 P CB 0.429 32.112 31.700 -0.028 0.000 0.906 614 H N 3.327 122.273 119.070 -0.207 0.000 2.607 614 H HA 0.074 4.631 4.556 0.001 0.000 0.367 614 H C -1.327 173.924 175.328 -0.129 0.000 1.181 614 H CA -1.206 54.698 56.048 -0.240 0.000 1.402 614 H CB 0.015 29.571 29.762 -0.343 0.000 1.474 614 H HN 0.314 nan 8.280 nan 0.000 0.596 615 P HA -0.148 nan 4.420 nan 0.000 0.217 615 P C 1.171 178.478 177.300 0.012 0.000 1.148 615 P CA 1.688 64.791 63.100 0.005 0.000 0.828 615 P CB 0.076 31.788 31.700 0.021 0.000 0.783 616 A N -0.769 122.055 122.820 0.006 0.000 2.019 616 A HA -0.170 4.151 4.320 0.001 0.000 0.219 616 A C 2.058 179.593 177.584 -0.081 0.000 1.164 616 A CA 1.145 53.142 52.037 -0.066 0.000 0.644 616 A CB -1.535 17.384 19.000 -0.135 0.000 0.805 616 A HN 0.155 nan 8.150 nan 0.000 0.449 617 L N -0.523 120.684 121.223 -0.026 0.000 2.079 617 L HA -0.122 4.218 4.340 0.001 0.000 0.210 617 L C 2.543 179.463 176.870 0.083 0.000 1.081 617 L CA 2.650 57.513 54.840 0.037 0.000 0.752 617 L CB -0.946 41.144 42.059 0.052 0.000 0.896 617 L HN 0.392 nan 8.230 nan 0.000 0.433 618 T N -1.738 112.867 114.554 0.084 0.000 2.867 618 T HA -0.192 4.158 4.350 0.001 0.000 0.268 618 T C 1.809 176.618 174.700 0.183 0.000 1.057 618 T CA 1.415 63.617 62.100 0.171 0.000 1.136 618 T CB -0.080 68.870 68.868 0.136 0.000 0.874 618 T HN 0.462 nan 8.240 nan 0.000 0.466 619 E N 0.757 121.003 120.200 0.076 0.000 2.077 619 E HA 0.043 4.394 4.350 0.001 0.000 0.193 619 E C 2.198 178.803 176.600 0.008 0.000 0.989 619 E CA 1.362 57.804 56.400 0.070 0.000 0.800 619 E CB -0.605 29.104 29.700 0.015 0.000 0.746 619 E HN 0.534 nan 8.360 nan 0.000 0.452 620 A N 1.054 123.767 122.820 -0.179 0.000 1.877 620 A HA -0.252 4.069 4.320 0.001 0.000 0.216 620 A C 2.174 179.649 177.584 -0.182 0.000 1.186 620 A CA 2.009 53.897 52.037 -0.247 0.000 0.620 620 A CB -0.674 18.182 19.000 -0.240 0.000 0.822 620 A HN 0.273 nan 8.150 nan 0.000 0.443 621 K N -1.268 119.096 120.400 -0.061 0.000 2.032 621 K HA -0.297 4.024 4.320 0.001 0.000 0.209 621 K C 2.074 178.556 176.600 -0.197 0.000 1.048 621 K CA 2.095 58.356 56.287 -0.043 0.000 0.927 621 K CB -0.368 32.261 32.500 0.214 0.000 0.712 621 K HN 0.659 nan 8.250 nan 0.000 0.441 622 H N 0.258 119.135 119.070 -0.322 0.000 2.321 622 H HA -0.040 4.516 4.556 0.001 0.000 0.300 622 H C 1.993 177.045 175.328 -0.460 0.000 1.087 622 H CA 1.858 57.529 56.048 -0.629 0.000 1.319 622 H CB 0.105 29.551 29.762 -0.527 0.000 1.379 622 H HN 0.248 nan 8.280 nan 0.000 0.501 623 Q N 0.220 119.769 119.800 -0.418 0.000 2.167 623 Q HA -0.085 4.256 4.340 0.001 0.000 0.202 623 Q C 1.604 177.027 176.000 -0.961 0.000 0.970 623 Q CA 1.192 56.661 55.803 -0.556 0.000 0.855 623 Q CB 0.044 28.618 28.738 -0.273 0.000 0.911 623 Q HN 0.709 nan 8.270 nan 0.000 0.438 624 Q N 0.266 119.474 119.800 -0.988 0.000 2.322 624 Q HA 0.071 4.411 4.340 0.001 0.000 0.203 624 Q C -0.117 175.317 176.000 -0.944 0.000 0.923 624 Q CA -0.209 54.867 55.803 -1.211 0.000 0.949 624 Q CB 0.302 28.410 28.738 -1.050 0.000 1.039 624 Q HN 0.374 nan 8.270 nan 0.000 0.496 625 Q N -0.461 118.929 119.800 -0.685 0.000 2.414 625 Q HA -0.051 4.289 4.340 0.001 0.000 0.288 625 Q C -0.108 175.538 176.000 -0.590 0.000 1.086 625 Q CA 0.448 55.982 55.803 -0.448 0.000 0.943 625 Q CB 0.442 28.999 28.738 -0.301 0.000 1.282 625 Q HN 0.307 nan 8.270 nan 0.000 0.438 626 F N 0.195 119.925 119.950 -0.367 0.000 2.727 626 F HA 0.219 4.747 4.527 0.001 0.000 0.302 626 F C -0.127 175.135 175.800 -0.897 0.000 1.097 626 F CA -0.038 57.510 58.000 -0.754 0.000 1.330 626 F CB 0.587 38.843 39.000 -1.241 0.000 1.084 626 F HN 0.321 nan 8.300 nan 0.000 0.578 627 F N 0.455 120.323 119.950 -0.137 0.000 2.507 627 F HA 0.488 5.015 4.527 0.001 0.000 0.325 627 F C -0.052 175.422 175.800 -0.543 0.000 1.116 627 F CA -1.073 56.743 58.000 -0.307 0.000 0.930 627 F CB 1.231 40.080 39.000 -0.252 0.000 1.146 627 F HN -0.325 nan 8.300 nan 0.000 0.447 628 Q N 3.080 122.633 119.800 -0.411 0.000 2.306 628 Q HA 0.561 4.901 4.340 0.001 0.000 0.265 628 Q C -1.344 174.376 176.000 -0.467 0.000 1.022 628 Q CA -0.634 54.964 55.803 -0.341 0.000 0.853 628 Q CB 2.770 31.426 28.738 -0.136 0.000 1.327 628 Q HN 0.544 nan 8.270 nan 0.000 0.449 629 F N 0.492 120.567 119.950 0.209 0.000 2.551 629 F HA 0.588 5.115 4.527 0.001 0.000 0.316 629 F C 0.412 176.447 175.800 0.393 0.000 1.089 629 F CA -0.828 57.373 58.000 0.336 0.000 0.915 629 F CB 1.983 41.300 39.000 0.528 0.000 1.186 629 F HN 0.112 nan 8.300 nan 0.000 0.456 630 R N 1.888 122.672 120.500 0.472 0.000 2.744 630 R HA 0.712 5.052 4.340 0.001 0.000 0.279 630 R C -1.950 174.354 176.300 0.006 0.000 0.977 630 R CA -1.284 55.006 56.100 0.316 0.000 0.906 630 R CB 3.076 33.475 30.300 0.165 0.000 1.197 630 R HN 0.587 nan 8.270 nan 0.000 0.463 631 L N 0.627 121.703 121.223 -0.245 0.000 2.341 631 L HA 0.497 4.837 4.340 0.001 0.000 0.278 631 L C -0.907 175.791 176.870 -0.286 0.000 1.005 631 L CA 0.029 54.532 54.840 -0.561 0.000 0.818 631 L CB 2.087 43.360 42.059 -1.310 0.000 1.259 631 L HN 0.582 nan 8.230 nan 0.000 0.418 632 S N 3.999 119.564 115.700 -0.226 0.000 2.745 632 S HA 0.675 5.146 4.470 0.001 0.000 0.283 632 S C 0.454 174.965 174.600 -0.149 0.000 1.170 632 S CA 0.223 58.336 58.200 -0.144 0.000 1.119 632 S CB 0.262 63.408 63.200 -0.089 0.000 1.035 632 S HN 1.528 nan 8.310 nan 0.000 0.483 633 G N 4.738 113.452 108.800 -0.144 0.000 2.677 633 G HA2 -0.309 3.651 3.960 0.001 0.000 0.321 633 G HA3 -0.309 3.651 3.960 0.001 0.000 0.321 633 G C 0.549 175.348 174.900 -0.169 0.000 1.181 633 G CA 0.737 45.758 45.100 -0.132 0.000 0.965 633 G HN 0.651 nan 8.290 nan 0.000 0.548 634 Q N 1.238 120.943 119.800 -0.159 0.000 2.282 634 Q HA 0.185 4.526 4.340 0.001 0.000 0.206 634 Q C 0.470 176.342 176.000 -0.214 0.000 0.878 634 Q CA 0.847 56.536 55.803 -0.191 0.000 0.944 634 Q CB 0.743 29.386 28.738 -0.159 0.000 1.100 634 Q HN 0.567 nan 8.270 nan 0.000 0.509 635 T N 1.579 116.019 114.554 -0.189 0.000 2.744 635 T HA 0.488 4.839 4.350 0.001 0.000 0.291 635 T C 0.309 174.892 174.700 -0.194 0.000 0.957 635 T CA -0.269 61.733 62.100 -0.164 0.000 1.002 635 T CB 1.037 69.839 68.868 -0.109 0.000 0.919 635 T HN 0.007 nan 8.240 nan 0.000 0.468 636 I N 2.994 123.462 120.570 -0.170 0.000 2.315 636 I HA 0.252 4.423 4.170 0.001 0.000 0.291 636 I C 0.671 176.790 176.117 0.004 0.000 1.006 636 I CA -0.462 60.764 61.300 -0.123 0.000 1.265 636 I CB 0.976 38.924 38.000 -0.087 0.000 1.387 636 I HN 0.580 nan 8.210 nan 0.000 0.475 637 E N 6.735 126.963 120.200 0.046 0.000 2.146 637 E HA 0.397 4.747 4.350 0.001 0.000 0.282 637 E C -1.416 175.269 176.600 0.143 0.000 0.989 637 E CA -0.587 55.858 56.400 0.076 0.000 0.799 637 E CB 1.425 31.153 29.700 0.047 0.000 1.088 637 E HN 0.348 nan 8.360 nan 0.000 0.397 638 V N 4.335 124.316 119.914 0.112 0.000 2.370 638 V HA 0.295 4.416 4.120 0.001 0.000 0.283 638 V C -0.073 176.034 176.094 0.023 0.000 1.023 638 V CA -0.620 61.710 62.300 0.051 0.000 0.857 638 V CB 1.635 33.523 31.823 0.107 0.000 0.985 638 V HN 0.683 nan 8.190 nan 0.000 0.443 639 T N 3.244 117.774 114.554 -0.040 0.000 2.779 639 T HA 0.318 4.669 4.350 0.001 0.000 0.280 639 T C 0.082 174.783 174.700 0.002 0.000 0.987 639 T CA -0.262 61.832 62.100 -0.011 0.000 0.966 639 T CB 1.502 70.346 68.868 -0.040 0.000 0.933 639 T HN 0.670 nan 8.240 nan 0.000 0.442 640 S N 1.901 117.619 115.700 0.030 0.000 2.545 640 S HA 0.165 4.635 4.470 0.001 0.000 0.275 640 S C 0.862 175.348 174.600 -0.191 0.000 1.299 640 S CA -0.474 57.670 58.200 -0.092 0.000 1.048 640 S CB 0.489 63.712 63.200 0.038 0.000 0.938 640 S HN 0.724 nan 8.310 nan 0.000 0.496 641 E N 2.974 122.956 120.200 -0.362 0.000 2.481 641 E HA 0.084 4.435 4.350 0.001 0.000 0.198 641 E C -0.652 175.783 176.600 -0.275 0.000 1.027 641 E CA -0.122 56.102 56.400 -0.293 0.000 0.900 641 E CB 0.286 29.790 29.700 -0.327 0.000 0.993 641 E HN 0.719 nan 8.360 nan 0.000 0.482 642 Y N 0.487 120.672 120.300 -0.192 0.000 2.578 642 Y HA -0.055 4.495 4.550 0.001 0.000 0.339 642 Y C 1.516 177.255 175.900 -0.269 0.000 1.231 642 Y CA 0.178 58.161 58.100 -0.196 0.000 1.461 642 Y CB 0.695 39.023 38.460 -0.219 0.000 1.323 642 Y HN -0.033 nan 8.280 nan 0.000 0.590 643 L N 1.010 122.064 121.223 -0.281 0.000 2.408 643 L HA 0.070 4.410 4.340 0.001 0.000 0.215 643 L C 0.625 177.040 176.870 -0.758 0.000 1.081 643 L CA 0.593 54.998 54.840 -0.726 0.000 0.840 643 L CB 0.052 41.302 42.059 -1.349 0.000 1.002 643 L HN 0.662 nan 8.230 nan 0.000 0.468 644 F N -0.671 119.299 119.950 0.034 0.000 2.658 644 F HA 0.201 4.728 4.527 0.001 0.000 0.293 644 F C 1.134 176.924 175.800 -0.016 0.000 0.986 644 F CA -0.822 57.172 58.000 -0.011 0.000 1.182 644 F CB 0.326 39.297 39.000 -0.048 0.000 0.965 644 F HN -0.174 nan 8.300 nan 0.000 0.659 645 R N 0.654 121.207 120.500 0.087 0.000 2.428 645 R HA 0.400 4.741 4.340 0.001 0.000 0.294 645 R C -0.914 175.387 176.300 0.001 0.000 1.000 645 R CA -0.590 55.500 56.100 -0.017 0.000 0.960 645 R CB 0.817 30.994 30.300 -0.205 0.000 1.076 645 R HN 0.080 nan 8.270 nan 0.000 0.475 646 H N 1.112 120.170 119.070 -0.020 0.000 2.679 646 H HA 0.043 4.600 4.556 0.001 0.000 0.369 646 H C 0.122 175.468 175.328 0.030 0.000 1.178 646 H CA 0.700 56.765 56.048 0.029 0.000 1.419 646 H CB 1.067 30.850 29.762 0.035 0.000 1.458 646 H HN 0.788 nan 8.280 nan 0.000 0.605 647 S N 1.828 117.530 115.700 0.003 0.000 4.183 647 S HA -0.022 4.449 4.470 0.001 0.000 0.195 647 S C 0.092 174.801 174.600 0.182 0.000 1.421 647 S CA -0.252 58.045 58.200 0.162 0.000 0.920 647 S CB -0.622 62.712 63.200 0.222 0.000 1.525 647 S HN 0.708 nan 8.310 nan 0.000 0.447 648 D N 0.726 121.224 120.400 0.164 0.000 2.325 648 D HA 0.054 4.694 4.640 0.001 0.000 0.225 648 D C 0.327 176.681 176.300 0.090 0.000 1.096 648 D CA -0.226 53.855 54.000 0.137 0.000 0.844 648 D CB -0.325 40.538 40.800 0.105 0.000 0.925 648 D HN 0.493 nan 8.370 nan 0.000 0.513 649 N N 0.081 118.840 118.700 0.099 0.000 2.622 649 N HA 0.141 4.881 4.740 0.001 0.000 0.293 649 N C -1.557 174.023 175.510 0.117 0.000 1.788 649 N CA -0.186 52.917 53.050 0.088 0.000 0.860 649 N CB 0.356 38.884 38.487 0.068 0.000 1.388 649 N HN -0.058 nan 8.380 nan 0.000 0.496 650 E N -0.014 120.249 120.200 0.105 0.000 2.304 650 E HA 0.481 4.832 4.350 0.001 0.000 0.277 650 E C -1.778 174.857 176.600 0.060 0.000 0.898 650 E CA -0.616 55.836 56.400 0.087 0.000 0.764 650 E CB 2.440 32.159 29.700 0.032 0.000 1.216 650 E HN 0.191 nan 8.360 nan 0.000 0.419 651 L N 3.166 124.438 121.223 0.082 0.000 2.408 651 L HA 0.589 4.929 4.340 0.001 0.000 0.268 651 L C -1.839 175.097 176.870 0.109 0.000 0.986 651 L CA -0.847 54.036 54.840 0.072 0.000 0.820 651 L CB 1.566 43.670 42.059 0.076 0.000 1.303 651 L HN 0.612 nan 8.230 nan 0.000 0.411 652 L N 5.136 126.405 121.223 0.076 0.000 2.260 652 L HA 0.430 4.770 4.340 0.001 0.000 0.289 652 L C -0.634 176.302 176.870 0.109 0.000 1.057 652 L CA 0.134 55.060 54.840 0.144 0.000 0.811 652 L CB 0.134 42.296 42.059 0.171 0.000 1.184 652 L HN 0.555 nan 8.230 nan 0.000 0.429 653 H N 5.910 125.048 119.070 0.113 0.000 2.517 653 H HA 0.255 4.811 4.556 0.001 0.000 0.317 653 H C -1.064 174.349 175.328 0.142 0.000 1.080 653 H CA -0.336 55.746 56.048 0.056 0.000 1.301 653 H CB 0.771 30.533 29.762 -0.001 0.000 1.425 653 H HN 0.682 nan 8.280 nan 0.000 0.471 654 W N 3.883 125.257 121.300 0.122 0.000 2.689 654 W HA 0.546 5.206 4.660 0.001 0.000 0.340 654 W C -1.570 175.008 176.519 0.099 0.000 1.060 654 W CA -1.221 56.189 57.345 0.107 0.000 1.218 654 W CB 1.374 30.880 29.460 0.077 0.000 1.410 654 W HN 0.377 nan 8.180 nan 0.000 0.528 655 M N 3.708 123.503 119.600 0.324 0.000 2.378 655 M HA 0.544 5.024 4.480 0.001 0.000 0.289 655 M C -2.299 174.204 176.300 0.338 0.000 1.136 655 M CA -0.605 54.790 55.300 0.158 0.000 0.917 655 M CB 2.099 34.725 32.600 0.042 0.000 1.669 655 M HN 0.222 nan 8.290 nan 0.000 0.461 656 V N 4.111 124.217 119.914 0.320 0.000 2.448 656 V HA 0.988 5.109 4.120 0.001 0.000 0.295 656 V C -0.406 175.800 176.094 0.187 0.000 1.025 656 V CA -0.428 62.049 62.300 0.295 0.000 0.859 656 V CB 1.084 33.103 31.823 0.327 0.000 0.988 656 V HN 1.015 nan 8.190 nan 0.000 0.431 657 A N 4.553 127.490 122.820 0.195 0.000 2.435 657 A HA 0.904 5.225 4.320 0.001 0.000 0.304 657 A C -1.384 176.315 177.584 0.192 0.000 1.064 657 A CA -0.642 51.480 52.037 0.143 0.000 0.727 657 A CB 1.728 20.776 19.000 0.079 0.000 1.284 657 A HN 0.838 nan 8.150 nan 0.000 0.415 658 L N 1.523 122.829 121.223 0.138 0.000 2.276 658 L HA 0.514 4.854 4.340 0.001 0.000 0.286 658 L C -0.616 176.346 176.870 0.153 0.000 1.024 658 L CA 0.215 55.147 54.840 0.154 0.000 0.826 658 L CB 0.389 42.508 42.059 0.099 0.000 1.211 658 L HN 0.759 nan 8.230 nan 0.000 0.422 659 D N 4.896 125.447 120.400 0.251 0.000 2.704 659 D HA -0.207 4.434 4.640 0.001 0.000 0.232 659 D C 1.205 177.545 176.300 0.066 0.000 1.183 659 D CA 1.562 55.707 54.000 0.241 0.000 0.647 659 D CB -1.004 39.905 40.800 0.182 0.000 1.013 659 D HN 1.162 nan 8.370 nan 0.000 0.415 660 G N -0.738 108.064 108.800 0.004 0.000 2.225 660 G HA2 -0.376 3.585 3.960 0.001 0.000 0.254 660 G HA3 -0.376 3.585 3.960 0.001 0.000 0.254 660 G C 0.294 175.112 174.900 -0.136 0.000 0.988 660 G CA 0.462 45.455 45.100 -0.179 0.000 0.625 660 G HN 0.491 nan 8.290 nan 0.000 0.527 661 K N 2.397 122.767 120.400 -0.050 0.000 2.267 661 K HA 0.437 4.757 4.320 0.001 0.000 0.282 661 K C -2.396 174.194 176.600 -0.017 0.000 1.078 661 K CA -1.734 54.529 56.287 -0.040 0.000 0.903 661 K CB 1.645 34.138 32.500 -0.013 0.000 1.111 661 K HN 0.127 nan 8.250 nan 0.000 0.475 662 P HA -0.016 nan 4.420 nan 0.000 0.267 662 P C -0.168 177.133 177.300 0.002 0.000 1.205 662 P CA 0.208 63.295 63.100 -0.022 0.000 0.765 662 P CB 0.833 32.499 31.700 -0.057 0.000 0.828 663 L N 1.658 122.902 121.223 0.034 0.000 2.577 663 L HA 0.417 4.757 4.340 0.001 0.000 0.225 663 L C 0.998 177.901 176.870 0.055 0.000 1.053 663 L CA 0.361 55.230 54.840 0.047 0.000 0.866 663 L CB 0.235 42.336 42.059 0.070 0.000 1.132 663 L HN 0.394 nan 8.230 nan 0.000 0.486 664 A N -0.257 122.606 122.820 0.072 0.000 2.574 664 A HA 0.713 5.033 4.320 0.001 0.000 0.297 664 A C -0.848 176.646 177.584 -0.150 0.000 1.062 664 A CA -0.145 51.929 52.037 0.060 0.000 0.686 664 A CB 1.702 20.868 19.000 0.276 0.000 1.285 664 A HN 0.051 nan 8.150 nan 0.000 0.403 665 S N -0.170 115.227 115.700 -0.506 0.000 2.588 665 S HA 0.963 5.433 4.470 0.001 0.000 0.269 665 S C -0.291 173.543 174.600 -1.275 0.000 1.157 665 S CA -0.104 57.478 58.200 -1.029 0.000 0.824 665 S CB 1.321 64.231 63.200 -0.482 0.000 1.126 665 S HN 2.546 nan 8.310 nan 0.000 0.464 666 G N 0.117 107.933 108.800 -1.640 0.000 2.550 666 G HA2 0.643 4.604 3.960 0.001 0.000 0.293 666 G HA3 0.643 4.604 3.960 0.001 0.000 0.293 666 G C -2.152 172.367 174.900 -0.635 0.000 1.402 666 G CA -0.624 43.945 45.100 -0.885 0.000 0.784 666 G HN 1.121 nan 8.290 nan 0.000 0.482 667 E N -1.461 118.589 120.200 -0.249 0.000 2.314 667 E HA 0.698 5.049 4.350 0.001 0.000 0.272 667 E C -1.688 174.896 176.600 -0.026 0.000 0.884 667 E CA -1.031 55.223 56.400 -0.243 0.000 0.753 667 E CB 2.788 32.153 29.700 -0.557 0.000 1.213 667 E HN 0.422 nan 8.360 nan 0.000 0.432 668 V N 2.617 122.542 119.914 0.020 0.000 2.623 668 V HA 0.387 4.508 4.120 0.001 0.000 0.304 668 V C -2.448 173.668 176.094 0.035 0.000 1.054 668 V CA -2.051 60.286 62.300 0.062 0.000 0.882 668 V CB 1.892 33.786 31.823 0.119 0.000 1.002 668 V HN 0.705 nan 8.190 nan 0.000 0.424 669 P HA 0.211 nan 4.420 nan 0.000 0.268 669 P C -0.661 176.668 177.300 0.047 0.000 1.205 669 P CA 0.013 63.135 63.100 0.037 0.000 0.771 669 P CB 0.530 32.255 31.700 0.041 0.000 0.858 670 L N 3.183 124.430 121.223 0.039 0.000 2.276 670 L HA 0.310 4.650 4.340 0.001 0.000 0.286 670 L C 0.407 177.315 176.870 0.064 0.000 1.061 670 L CA 0.126 54.983 54.840 0.027 0.000 0.807 670 L CB 0.749 42.775 42.059 -0.055 0.000 1.177 670 L HN 0.324 nan 8.230 nan 0.000 0.429 671 D N 3.053 123.498 120.400 0.074 0.000 2.443 671 D HA 0.326 4.966 4.640 0.001 0.000 0.281 671 D C -1.205 175.101 176.300 0.009 0.000 1.210 671 D CA -0.136 53.947 54.000 0.139 0.000 0.875 671 D CB 0.920 41.839 40.800 0.198 0.000 1.125 671 D HN 0.033 nan 8.370 nan 0.000 0.503 672 V N 1.686 121.470 119.914 -0.217 0.000 2.448 672 V HA 0.787 4.907 4.120 0.001 0.000 0.295 672 V C 0.863 176.620 176.094 -0.562 0.000 1.025 672 V CA -1.219 60.954 62.300 -0.212 0.000 0.859 672 V CB 1.226 33.081 31.823 0.054 0.000 0.988 672 V HN 0.533 nan 8.190 nan 0.000 0.431 673 A N 7.448 130.064 122.820 -0.339 0.000 2.406 673 A HA 0.574 4.894 4.320 0.001 0.000 0.243 673 A C -2.150 175.408 177.584 -0.044 0.000 1.082 673 A CA -1.122 50.839 52.037 -0.126 0.000 0.786 673 A CB -0.283 18.773 19.000 0.094 0.000 1.029 673 A HN 0.677 nan 8.150 nan 0.000 0.495 674 P HA 0.028 nan 4.420 nan 0.000 0.264 674 P C -0.440 176.851 177.300 -0.015 0.000 1.193 674 P CA 0.551 63.657 63.100 0.010 0.000 0.763 674 P CB 0.731 32.431 31.700 0.001 0.000 0.810 675 Q N -0.974 118.804 119.800 -0.036 0.000 2.305 675 Q HA -0.161 4.180 4.340 0.001 0.000 0.203 675 Q C 0.814 176.802 176.000 -0.019 0.000 0.663 675 Q CA 1.837 57.613 55.803 -0.044 0.000 1.389 675 Q CB -2.538 26.170 28.738 -0.051 0.000 1.566 675 Q HN 0.763 nan 8.270 nan 0.000 0.755 676 G N 0.345 109.143 108.800 -0.003 0.000 2.588 676 G HA2 0.505 4.465 3.960 0.001 0.000 0.281 676 G HA3 0.505 4.465 3.960 0.001 0.000 0.281 676 G C -0.228 174.683 174.900 0.018 0.000 1.236 676 G CA -0.444 44.662 45.100 0.010 0.000 0.969 676 G HN 0.002 nan 8.290 nan 0.000 0.504 677 K N -0.613 119.801 120.400 0.024 0.000 2.426 677 K HA 0.420 4.741 4.320 0.001 0.000 0.251 677 K C -0.967 175.656 176.600 0.037 0.000 0.941 677 K CA -0.592 55.714 56.287 0.031 0.000 0.808 677 K CB 2.642 35.156 32.500 0.023 0.000 1.265 677 K HN 0.527 nan 8.250 nan 0.000 0.432 678 Q N 2.958 122.785 119.800 0.046 0.000 2.323 678 Q HA 0.411 4.752 4.340 0.001 0.000 0.271 678 Q C -1.579 174.447 176.000 0.044 0.000 1.048 678 Q CA -0.700 55.130 55.803 0.046 0.000 0.792 678 Q CB 1.429 30.199 28.738 0.054 0.000 1.280 678 Q HN 0.528 nan 8.270 nan 0.000 0.441 679 L N 5.100 126.341 121.223 0.029 0.000 2.282 679 L HA 0.528 4.868 4.340 0.001 0.000 0.288 679 L C -0.548 176.325 176.870 0.004 0.000 1.033 679 L CA -0.554 54.294 54.840 0.012 0.000 0.807 679 L CB 1.223 43.281 42.059 -0.001 0.000 1.209 679 L HN 0.588 nan 8.230 nan 0.000 0.423 680 I N 2.846 123.410 120.570 -0.010 0.000 2.382 680 I HA 0.210 4.380 4.170 0.001 0.000 0.285 680 I C -0.251 175.809 176.117 -0.096 0.000 1.007 680 I CA -0.510 60.770 61.300 -0.032 0.000 1.142 680 I CB 1.918 39.915 38.000 -0.005 0.000 1.289 680 I HN 0.510 nan 8.210 nan 0.000 0.453 681 E N 6.906 127.049 120.200 -0.095 0.000 2.152 681 E HA 0.379 4.729 4.350 0.001 0.000 0.285 681 E C -0.913 175.570 176.600 -0.194 0.000 1.043 681 E CA -0.285 56.037 56.400 -0.129 0.000 0.839 681 E CB 0.765 30.414 29.700 -0.085 0.000 1.069 681 E HN 0.437 nan 8.360 nan 0.000 0.399 682 L N 6.923 127.970 121.223 -0.294 0.000 2.397 682 L HA 0.335 4.675 4.340 0.001 0.000 0.271 682 L C -1.610 175.089 176.870 -0.284 0.000 1.148 682 L CA -1.823 52.743 54.840 -0.455 0.000 0.825 682 L CB 0.432 42.118 42.059 -0.622 0.000 1.117 682 L HN 0.544 nan 8.230 nan 0.000 0.456 683 P HA -0.017 nan 4.420 nan 0.000 0.272 683 P C -0.645 176.607 177.300 -0.080 0.000 1.240 683 P CA -0.508 62.541 63.100 -0.083 0.000 0.791 683 P CB 0.478 32.197 31.700 0.031 0.000 0.978 684 E N 0.990 121.170 120.200 -0.034 0.000 2.491 684 E HA 0.029 4.379 4.350 0.001 0.000 0.250 684 E C -0.588 176.014 176.600 0.003 0.000 1.061 684 E CA -0.071 56.315 56.400 -0.024 0.000 0.942 684 E CB -0.286 29.407 29.700 -0.011 0.000 0.957 684 E HN 0.292 nan 8.360 nan 0.000 0.480 685 L N 7.913 129.132 121.223 -0.007 0.000 2.290 685 L HA 0.338 4.678 4.340 0.001 0.000 0.284 685 L C -1.745 175.141 176.870 0.028 0.000 1.078 685 L CA -2.025 52.834 54.840 0.031 0.000 0.815 685 L CB 0.753 42.827 42.059 0.025 0.000 1.162 685 L HN 0.504 nan 8.230 nan 0.000 0.435 686 P HA 0.105 nan 4.420 nan 0.000 0.276 686 P C -0.996 176.322 177.300 0.029 0.000 1.230 686 P CA -0.584 62.534 63.100 0.031 0.000 0.776 686 P CB 0.790 32.511 31.700 0.035 0.000 0.888 687 Q N 3.891 123.702 119.800 0.019 0.000 2.289 687 Q HA 0.180 4.521 4.340 0.001 0.000 0.273 687 Q C -1.602 174.411 176.000 0.022 0.000 1.029 687 Q CA -0.713 55.100 55.803 0.017 0.000 0.896 687 Q CB -0.556 28.188 28.738 0.009 0.000 1.182 687 Q HN 0.411 nan 8.270 nan 0.000 0.385 688 P HA -0.011 nan 4.420 nan 0.000 0.272 688 P C -0.441 176.873 177.300 0.024 0.000 1.230 688 P CA -0.022 63.096 63.100 0.030 0.000 0.788 688 P CB 0.966 32.688 31.700 0.037 0.000 0.949 689 E N -0.200 120.014 120.200 0.024 0.000 2.122 689 E HA -0.030 4.321 4.350 0.001 0.000 0.190 689 E C 0.985 177.599 176.600 0.023 0.000 0.977 689 E CA 0.568 56.980 56.400 0.021 0.000 0.820 689 E CB 0.038 29.749 29.700 0.019 0.000 0.770 689 E HN 0.426 nan 8.360 nan 0.000 0.462 690 S N 0.047 115.763 115.700 0.028 0.000 2.632 690 S HA 0.438 4.908 4.470 0.001 0.000 0.267 690 S C -0.139 174.482 174.600 0.034 0.000 1.276 690 S CA -0.497 57.722 58.200 0.031 0.000 0.998 690 S CB 1.045 64.266 63.200 0.035 0.000 0.953 690 S HN 0.199 nan 8.310 nan 0.000 0.547 691 A N 1.689 124.531 122.820 0.037 0.000 2.351 691 A HA 0.735 5.056 4.320 0.001 0.000 0.257 691 A C 0.837 178.452 177.584 0.052 0.000 1.087 691 A CA 0.329 52.390 52.037 0.039 0.000 0.798 691 A CB -0.499 18.524 19.000 0.039 0.000 1.033 691 A HN 1.844 nan 8.150 nan 0.000 0.488 692 G N -0.397 108.434 108.800 0.052 0.000 2.369 692 G HA2 0.419 4.379 3.960 0.001 0.000 0.295 692 G HA3 0.419 4.379 3.960 0.001 0.000 0.295 692 G C -1.174 173.760 174.900 0.057 0.000 1.298 692 G CA -0.267 44.877 45.100 0.072 0.000 0.940 692 G HN 1.094 nan 8.290 nan 0.000 0.536 693 Q N -0.091 119.760 119.800 0.086 0.000 2.314 693 Q HA 0.714 5.054 4.340 0.001 0.000 0.259 693 Q C -0.229 175.821 176.000 0.084 0.000 0.951 693 Q CA -0.513 55.301 55.803 0.018 0.000 0.909 693 Q CB 1.187 29.907 28.738 -0.031 0.000 1.236 693 Q HN 0.559 nan 8.270 nan 0.000 0.444 694 L N 4.394 125.611 121.223 -0.011 0.000 2.331 694 L HA 0.380 4.721 4.340 0.001 0.000 0.278 694 L C -0.748 176.102 176.870 -0.034 0.000 1.106 694 L CA -0.243 54.630 54.840 0.055 0.000 0.824 694 L CB 0.590 42.667 42.059 0.030 0.000 1.142 694 L HN 0.672 nan 8.230 nan 0.000 0.443 695 W N 4.437 125.786 121.300 0.081 0.000 2.656 695 W HA 0.483 5.143 4.660 0.001 0.000 0.327 695 W C -0.701 175.915 176.519 0.162 0.000 1.041 695 W CA -0.546 56.867 57.345 0.114 0.000 1.229 695 W CB 1.653 31.193 29.460 0.133 0.000 1.397 695 W HN 0.135 nan 8.180 nan 0.000 0.479 696 L N 3.663 125.143 121.223 0.429 0.000 2.282 696 L HA 0.712 5.052 4.340 0.001 0.000 0.288 696 L C -0.273 176.889 176.870 0.486 0.000 1.033 696 L CA 0.208 55.303 54.840 0.426 0.000 0.807 696 L CB 1.107 43.388 42.059 0.370 0.000 1.209 696 L HN 0.311 nan 8.230 nan 0.000 0.423 697 T N 5.193 119.982 114.554 0.391 0.000 2.812 697 T HA 0.638 4.989 4.350 0.001 0.000 0.282 697 T C -0.647 174.235 174.700 0.304 0.000 0.990 697 T CA -0.450 61.832 62.100 0.304 0.000 0.960 697 T CB 1.464 70.450 68.868 0.196 0.000 0.948 697 T HN 0.592 nan 8.240 nan 0.000 0.438 698 V N 1.828 121.890 119.914 0.247 0.000 2.715 698 V HA 0.930 5.050 4.120 0.001 0.000 0.310 698 V C -0.600 175.561 176.094 0.110 0.000 1.054 698 V CA -1.304 61.105 62.300 0.182 0.000 0.928 698 V CB 1.746 33.629 31.823 0.100 0.000 1.007 698 V HN 1.014 nan 8.190 nan 0.000 0.437 699 R N 2.122 122.722 120.500 0.167 0.000 2.651 699 R HA 0.829 5.169 4.340 0.001 0.000 0.278 699 R C -2.027 174.418 176.300 0.242 0.000 1.010 699 R CA -0.836 55.394 56.100 0.217 0.000 0.896 699 R CB 2.157 32.564 30.300 0.178 0.000 1.211 699 R HN 0.515 nan 8.270 nan 0.000 0.456 700 V N 3.071 123.156 119.914 0.285 0.000 2.383 700 V HA 0.317 4.437 4.120 0.001 0.000 0.275 700 V C -0.198 176.033 176.094 0.228 0.000 1.036 700 V CA -0.565 61.877 62.300 0.237 0.000 0.889 700 V CB 1.415 33.357 31.823 0.198 0.000 0.985 700 V HN 0.540 nan 8.190 nan 0.000 0.459 701 V N 5.283 125.323 119.914 0.211 0.000 2.513 701 V HA 0.386 4.507 4.120 0.001 0.000 0.299 701 V C -0.132 176.066 176.094 0.174 0.000 1.035 701 V CA -0.747 61.657 62.300 0.173 0.000 0.889 701 V CB 1.907 33.822 31.823 0.153 0.000 0.988 701 V HN 0.885 nan 8.190 nan 0.000 0.440 702 Q N 5.306 125.209 119.800 0.172 0.000 2.421 702 Q HA 0.250 4.590 4.340 0.001 0.000 0.242 702 Q C -1.829 174.223 176.000 0.087 0.000 1.024 702 Q CA -1.706 54.183 55.803 0.143 0.000 0.891 702 Q CB 1.636 30.469 28.738 0.158 0.000 1.222 702 Q HN 0.490 nan 8.270 nan 0.000 0.483 703 P HA -0.145 nan 4.420 nan 0.000 0.218 703 P C -0.292 177.023 177.300 0.024 0.000 1.149 703 P CA 1.135 64.270 63.100 0.058 0.000 0.817 703 P CB 0.409 32.145 31.700 0.060 0.000 0.785 704 N N -0.349 118.355 118.700 0.007 0.000 2.443 704 N HA 0.379 5.119 4.740 0.001 0.000 0.295 704 N C -0.165 175.302 175.510 -0.072 0.000 1.076 704 N CA -0.494 52.542 53.050 -0.023 0.000 0.919 704 N CB 1.148 39.624 38.487 -0.019 0.000 1.176 704 N HN -0.085 nan 8.380 nan 0.000 0.487 705 A N 0.805 123.574 122.820 -0.084 0.000 2.425 705 A HA 0.445 4.765 4.320 0.001 0.000 0.242 705 A C 0.814 178.282 177.584 -0.193 0.000 1.077 705 A CA -0.018 51.934 52.037 -0.142 0.000 0.781 705 A CB -0.022 18.922 19.000 -0.094 0.000 1.020 705 A HN 0.742 nan 8.150 nan 0.000 0.494 706 T N -2.478 111.876 114.554 -0.333 0.000 2.807 706 T HA 0.627 4.978 4.350 0.001 0.000 0.277 706 T C 1.068 175.624 174.700 -0.239 0.000 1.006 706 T CA 0.038 61.928 62.100 -0.351 0.000 1.006 706 T CB 1.113 69.550 68.868 -0.719 0.000 1.274 706 T HN 1.326 nan 8.240 nan 0.000 0.569 707 A N -0.096 122.674 122.820 -0.083 0.000 2.070 707 A HA 0.082 4.402 4.320 0.001 0.000 0.220 707 A C 1.734 179.483 177.584 0.275 0.000 1.159 707 A CA 1.252 53.349 52.037 0.099 0.000 0.656 707 A CB -0.930 18.139 19.000 0.115 0.000 0.800 707 A HN 0.925 nan 8.150 nan 0.000 0.453 708 W N -0.917 120.458 121.300 0.125 0.000 2.871 708 W HA 0.396 5.057 4.660 0.001 0.000 0.340 708 W C -0.135 176.370 176.519 -0.024 0.000 1.058 708 W CA 0.551 57.943 57.345 0.079 0.000 1.633 708 W CB -0.855 28.644 29.460 0.065 0.000 1.067 708 W HN 0.422 nan 8.180 nan 0.000 0.554 709 S N 0.218 115.557 115.700 -0.602 0.000 2.579 709 S HA 0.456 4.926 4.470 0.001 0.000 0.272 709 S C -0.939 173.450 174.600 -0.351 0.000 1.141 709 S CA -0.750 57.101 58.200 -0.581 0.000 0.843 709 S CB 2.737 65.201 63.200 -1.226 0.000 1.122 709 S HN 0.120 nan 8.310 nan 0.000 0.468 710 E N 0.646 120.745 120.200 -0.167 0.000 2.318 710 E HA 0.578 4.928 4.350 0.001 0.000 0.265 710 E C 0.194 176.760 176.600 -0.057 0.000 1.069 710 E CA -0.889 55.464 56.400 -0.078 0.000 0.893 710 E CB 1.146 30.841 29.700 -0.008 0.000 1.076 710 E HN 0.873 nan 8.360 nan 0.000 0.414 711 A N 0.752 123.549 122.820 -0.038 0.000 2.540 711 A HA 0.366 4.687 4.320 0.001 0.000 0.239 711 A C 1.149 178.745 177.584 0.020 0.000 1.061 711 A CA 0.822 52.851 52.037 -0.012 0.000 0.758 711 A CB -0.536 18.458 19.000 -0.010 0.000 0.991 711 A HN 0.823 nan 8.150 nan 0.000 0.502 712 G N 0.756 109.580 108.800 0.039 0.000 2.175 712 G HA2 -0.245 3.715 3.960 0.001 0.000 0.244 712 G HA3 -0.245 3.715 3.960 0.001 0.000 0.244 712 G C 0.224 175.159 174.900 0.059 0.000 0.982 712 G CA 0.632 45.753 45.100 0.035 0.000 0.641 712 G HN 1.739 nan 8.290 nan 0.000 0.527 713 H N 0.701 119.776 119.070 0.007 0.000 3.070 713 H HA 0.405 4.961 4.556 0.001 0.000 0.313 713 H C 0.797 176.196 175.328 0.118 0.000 0.997 713 H CA 0.406 56.484 56.048 0.051 0.000 1.438 713 H CB 0.132 29.904 29.762 0.016 0.000 1.455 713 H HN 0.318 nan 8.280 nan 0.000 0.575 714 I N 4.924 125.263 120.570 -0.384 0.000 2.325 714 I HA 0.037 4.207 4.170 0.001 0.000 0.291 714 I C 0.986 177.018 176.117 -0.141 0.000 1.019 714 I CA 0.063 61.277 61.300 -0.143 0.000 1.302 714 I CB 1.456 39.422 38.000 -0.057 0.000 1.401 714 I HN 0.771 nan 8.210 nan 0.000 0.485 715 S N 4.180 120.014 115.700 0.223 0.000 2.497 715 S HA 0.518 4.989 4.470 0.001 0.000 0.218 715 S C 0.517 175.395 174.600 0.463 0.000 1.023 715 S CA -0.003 58.463 58.200 0.443 0.000 0.913 715 S CB 0.571 64.142 63.200 0.620 0.000 0.800 715 S HN 0.692 nan 8.310 nan 0.000 0.505 716 A N 0.526 123.643 122.820 0.496 0.000 2.604 716 A HA 0.680 5.000 4.320 0.001 0.000 0.295 716 A C -1.710 176.214 177.584 0.566 0.000 1.067 716 A CA -0.935 51.361 52.037 0.433 0.000 0.683 716 A CB 0.614 19.950 19.000 0.560 0.000 1.281 716 A HN 0.886 nan 8.150 nan 0.000 0.407 717 W N 0.099 121.571 121.300 0.287 0.000 3.074 717 W HA 0.817 5.478 4.660 0.001 0.000 0.332 717 W C -1.199 175.359 176.519 0.064 0.000 1.253 717 W CA -0.655 56.746 57.345 0.094 0.000 1.180 717 W CB 1.256 30.749 29.460 0.055 0.000 1.445 717 W HN 0.923 nan 8.180 nan 0.000 0.573 718 Q N 1.048 120.866 119.800 0.030 0.000 2.527 718 Q HA 0.416 4.756 4.340 0.001 0.000 0.280 718 Q C -1.647 174.156 176.000 -0.329 0.000 0.977 718 Q CA -0.486 55.175 55.803 -0.236 0.000 0.837 718 Q CB 2.470 30.890 28.738 -0.529 0.000 1.454 718 Q HN 0.615 nan 8.270 nan 0.000 0.387 719 Q N 1.393 120.920 119.800 -0.454 0.000 2.397 719 Q HA 0.615 4.955 4.340 0.001 0.000 0.275 719 Q C -1.217 174.561 176.000 -0.370 0.000 1.090 719 Q CA -0.652 55.065 55.803 -0.144 0.000 0.809 719 Q CB 2.266 31.131 28.738 0.212 0.000 1.362 719 Q HN 0.593 nan 8.270 nan 0.000 0.431 720 W N 1.192 122.632 121.300 0.232 0.000 3.033 720 W HA 0.456 5.117 4.660 0.001 0.000 0.336 720 W C -0.320 176.108 176.519 -0.151 0.000 1.173 720 W CA -0.717 56.664 57.345 0.061 0.000 1.185 720 W CB 1.600 31.071 29.460 0.018 0.000 1.425 720 W HN 0.409 nan 8.180 nan 0.000 0.536 721 R N 1.811 122.163 120.500 -0.247 0.000 2.389 721 R HA 0.386 4.727 4.340 0.001 0.000 0.295 721 R C 0.533 176.682 176.300 -0.252 0.000 1.075 721 R CA -0.104 55.614 56.100 -0.637 0.000 1.005 721 R CB 0.978 30.833 30.300 -0.742 0.000 0.987 721 R HN 0.287 nan 8.270 nan 0.000 0.452 722 L N 1.433 122.514 121.223 -0.237 0.000 2.793 722 L HA 0.494 4.835 4.340 0.001 0.000 0.188 722 L C 0.665 177.452 176.870 -0.138 0.000 1.949 722 L CA -0.983 53.782 54.840 -0.126 0.000 2.556 722 L CB -0.102 41.923 42.059 -0.057 0.000 2.898 722 L HN 0.592 nan 8.230 nan 0.000 0.621 723 A N 0.432 123.199 122.820 -0.089 0.000 2.445 723 A HA 0.178 4.498 4.320 0.001 0.000 0.242 723 A C -0.259 177.277 177.584 -0.079 0.000 1.075 723 A CA 0.190 52.184 52.037 -0.072 0.000 0.777 723 A CB 0.080 19.054 19.000 -0.043 0.000 1.013 723 A HN 0.605 nan 8.150 nan 0.000 0.493 724 E N 1.424 121.583 120.200 -0.069 0.000 2.210 724 E HA 0.301 4.651 4.350 0.001 0.000 0.266 724 E C -1.341 175.245 176.600 -0.023 0.000 0.883 724 E CA -0.756 55.613 56.400 -0.053 0.000 0.761 724 E CB 0.824 30.482 29.700 -0.071 0.000 1.156 724 E HN 0.696 nan 8.360 nan 0.000 0.412 725 N N 4.885 123.582 118.700 -0.004 0.000 2.469 725 N HA 0.272 5.012 4.740 0.001 0.000 0.253 725 N C -0.570 174.949 175.510 0.016 0.000 0.970 725 N CA -0.333 52.721 53.050 0.007 0.000 0.940 725 N CB 1.163 39.658 38.487 0.013 0.000 1.128 725 N HN 0.470 nan 8.380 nan 0.000 0.503 726 L N 0.816 122.047 121.223 0.014 0.000 2.416 726 L HA 0.119 4.460 4.340 0.001 0.000 0.272 726 L C 1.233 178.118 176.870 0.026 0.000 1.161 726 L CA -0.106 54.747 54.840 0.022 0.000 0.845 726 L CB 0.625 42.695 42.059 0.019 0.000 1.119 726 L HN 0.400 nan 8.230 nan 0.000 0.464 727 S N 2.054 117.775 115.700 0.034 0.000 2.443 727 S HA 0.178 4.649 4.470 0.001 0.000 0.284 727 S C 0.775 175.393 174.600 0.030 0.000 1.206 727 S CA -0.730 57.491 58.200 0.035 0.000 1.074 727 S CB 0.485 63.711 63.200 0.043 0.000 0.963 727 S HN 0.472 nan 8.310 nan 0.000 0.501 728 V N 2.565 122.494 119.914 0.024 0.000 3.570 728 V HA 0.268 4.388 4.120 0.001 0.000 0.257 728 V C 0.953 177.059 176.094 0.019 0.000 1.272 728 V CA 0.385 62.697 62.300 0.021 0.000 1.079 728 V CB -0.969 30.864 31.823 0.016 0.000 0.829 728 V HN 0.854 nan 8.190 nan 0.000 0.454 729 T N 1.592 116.158 114.554 0.020 0.000 2.817 729 T HA 0.505 4.856 4.350 0.001 0.000 0.295 729 T C -0.260 174.450 174.700 0.018 0.000 0.958 729 T CA -0.239 61.871 62.100 0.018 0.000 1.157 729 T CB 0.403 69.282 68.868 0.018 0.000 0.898 729 T HN 0.191 nan 8.240 nan 0.000 0.536 730 L N 6.452 127.684 121.223 0.014 0.000 2.462 730 L HA 0.286 4.626 4.340 0.001 0.000 0.272 730 L C -1.172 175.704 176.870 0.009 0.000 1.166 730 L CA -1.090 53.756 54.840 0.011 0.000 0.880 730 L CB -0.421 41.642 42.059 0.007 0.000 1.142 730 L HN 0.624 nan 8.230 nan 0.000 0.473 731 P HA 0.152 nan 4.420 nan 0.000 0.269 731 P C -0.717 176.578 177.300 -0.010 0.000 1.209 731 P CA -0.604 62.498 63.100 0.005 0.000 0.776 731 P CB 0.663 32.368 31.700 0.009 0.000 0.876 732 A N 2.656 125.469 122.820 -0.013 0.000 2.561 732 A HA 0.335 4.656 4.320 0.001 0.000 0.251 732 A C 0.951 178.487 177.584 -0.079 0.000 1.062 732 A CA 0.142 52.160 52.037 -0.032 0.000 0.761 732 A CB -0.797 18.193 19.000 -0.016 0.000 0.986 732 A HN 0.725 nan 8.150 nan 0.000 0.510 733 A N 3.821 126.588 122.820 -0.088 0.000 2.561 733 A HA 0.373 4.694 4.320 0.001 0.000 0.251 733 A C 0.977 178.398 177.584 -0.272 0.000 1.062 733 A CA 0.766 52.730 52.037 -0.122 0.000 0.761 733 A CB -0.254 18.698 19.000 -0.080 0.000 0.986 733 A HN 1.288 nan 8.150 nan 0.000 0.510 734 S N 1.287 116.849 115.700 -0.230 0.000 2.549 734 S HA 0.263 4.733 4.470 0.001 0.000 0.279 734 S C 1.021 175.449 174.600 -0.286 0.000 1.321 734 S CA -0.342 57.671 58.200 -0.311 0.000 1.054 734 S CB 0.070 63.206 63.200 -0.107 0.000 0.899 734 S HN 0.757 nan 8.310 nan 0.000 0.497 735 H N 2.821 121.906 119.070 0.025 0.000 2.448 735 H HA 0.373 4.929 4.556 0.001 0.000 0.292 735 H C 1.056 176.400 175.328 0.027 0.000 1.035 735 H CA 0.648 56.709 56.048 0.023 0.000 1.349 735 H CB -0.342 29.432 29.762 0.021 0.000 1.425 735 H HN 0.611 nan 8.280 nan 0.000 0.539 736 A N 1.611 124.527 122.820 0.160 0.000 2.462 736 A HA 0.398 4.719 4.320 0.001 0.000 0.243 736 A C -0.198 177.434 177.584 0.079 0.000 1.076 736 A CA -0.108 51.998 52.037 0.116 0.000 0.773 736 A CB -0.188 18.884 19.000 0.120 0.000 1.010 736 A HN 0.340 nan 8.150 nan 0.000 0.493 737 I N 4.099 124.716 120.570 0.079 0.000 2.418 737 I HA 0.320 4.491 4.170 0.001 0.000 0.287 737 I C -2.062 174.110 176.117 0.092 0.000 1.008 737 I CA -2.015 59.326 61.300 0.068 0.000 1.104 737 I CB 2.180 40.216 38.000 0.060 0.000 1.264 737 I HN 0.515 nan 8.210 nan 0.000 0.438 738 P HA 0.091 nan 4.420 nan 0.000 0.275 738 P C -1.127 176.255 177.300 0.138 0.000 1.228 738 P CA 0.079 63.245 63.100 0.111 0.000 0.786 738 P CB 0.862 32.581 31.700 0.032 0.000 0.927 739 H N 2.168 121.282 119.070 0.073 0.000 2.495 739 H HA 0.388 4.945 4.556 0.001 0.000 0.348 739 H C -1.237 174.135 175.328 0.074 0.000 1.113 739 H CA -0.982 55.102 56.048 0.060 0.000 1.195 739 H CB 1.796 31.594 29.762 0.059 0.000 1.521 739 H HN 0.238 nan 8.280 nan 0.000 0.509 740 L N 4.508 125.353 121.223 -0.630 0.000 2.276 740 L HA 0.300 4.640 4.340 0.001 0.000 0.286 740 L C -0.667 175.887 176.870 -0.526 0.000 1.061 740 L CA 0.073 54.665 54.840 -0.414 0.000 0.807 740 L CB 1.277 43.178 42.059 -0.263 0.000 1.177 740 L HN 0.577 nan 8.230 nan 0.000 0.429 741 T N 3.477 117.961 114.554 -0.118 0.000 2.792 741 T HA 0.509 4.860 4.350 0.001 0.000 0.280 741 T C -0.407 174.369 174.700 0.125 0.000 0.990 741 T CA -0.394 61.729 62.100 0.038 0.000 0.960 741 T CB 1.124 70.070 68.868 0.129 0.000 0.939 741 T HN 0.659 nan 8.240 nan 0.000 0.439 742 T N 3.016 117.646 114.554 0.126 0.000 2.779 742 T HA 0.656 5.006 4.350 0.001 0.000 0.280 742 T C 0.140 174.878 174.700 0.062 0.000 0.987 742 T CA -0.770 61.427 62.100 0.162 0.000 0.966 742 T CB 1.179 70.181 68.868 0.225 0.000 0.933 742 T HN 0.691 nan 8.240 nan 0.000 0.442 743 S N 1.974 117.673 115.700 -0.001 0.000 2.751 743 S HA 0.517 4.988 4.470 0.001 0.000 0.310 743 S C 0.799 175.338 174.600 -0.101 0.000 1.128 743 S CA -0.893 57.288 58.200 -0.032 0.000 0.931 743 S CB 1.437 64.626 63.200 -0.018 0.000 1.177 743 S HN 0.446 nan 8.310 nan 0.000 0.530 744 E N 0.058 120.211 120.200 -0.078 0.000 2.153 744 E HA -0.013 4.338 4.350 0.001 0.000 0.194 744 E C 1.281 177.798 176.600 -0.139 0.000 0.988 744 E CA 1.196 57.536 56.400 -0.099 0.000 0.811 744 E CB -0.197 29.470 29.700 -0.056 0.000 0.746 744 E HN 0.536 nan 8.360 nan 0.000 0.466 745 M N 0.046 119.579 119.600 -0.112 0.000 2.492 745 M HA 0.108 4.589 4.480 0.001 0.000 0.255 745 M C -0.244 175.984 176.300 -0.121 0.000 1.139 745 M CA 0.559 55.801 55.300 -0.097 0.000 1.096 745 M CB 0.431 33.008 32.600 -0.039 0.000 1.360 745 M HN -0.193 nan 8.290 nan 0.000 0.480 746 D N -0.631 119.678 120.400 -0.153 0.000 2.859 746 D HA 0.318 4.959 4.640 0.001 0.000 0.223 746 D C -1.446 174.777 176.300 -0.128 0.000 1.218 746 D CA -0.335 53.611 54.000 -0.090 0.000 0.850 746 D CB 2.372 43.198 40.800 0.044 0.000 1.656 746 D HN -0.158 nan 8.370 nan 0.000 0.484 747 F N 1.190 121.219 119.950 0.131 0.000 2.405 747 F HA 0.304 4.832 4.527 0.000 0.000 0.355 747 F C 0.408 176.336 175.800 0.214 0.000 1.121 747 F CA -0.700 57.374 58.000 0.123 0.000 1.112 747 F CB 0.919 39.960 39.000 0.069 0.000 1.126 747 F HN 0.126 nan 8.300 nan 0.000 0.481 748 C N 5.491 125.003 119.300 0.353 0.000 2.379 748 C HA 0.694 5.155 4.460 0.001 0.000 0.323 748 C C 0.117 175.272 174.990 0.275 0.000 1.262 748 C CA -1.049 58.156 59.018 0.310 0.000 1.581 748 C CB 0.508 28.377 27.740 0.215 0.000 2.221 748 C HN 0.612 nan 8.230 nan 0.000 0.497 749 I N 2.956 123.747 120.570 0.368 0.000 2.378 749 I HA 0.406 4.576 4.170 0.001 0.000 0.291 749 I C -0.452 175.945 176.117 0.467 0.000 0.992 749 I CA -0.178 61.330 61.300 0.348 0.000 1.154 749 I CB 1.497 39.680 38.000 0.305 0.000 1.315 749 I HN 0.593 nan 8.210 nan 0.000 0.448 750 E N 5.912 126.325 120.200 0.356 0.000 2.187 750 E HA 0.623 4.973 4.350 0.001 0.000 0.268 750 E C -1.288 175.515 176.600 0.339 0.000 0.896 750 E CA -0.605 55.991 56.400 0.327 0.000 0.766 750 E CB 2.555 32.395 29.700 0.233 0.000 1.142 750 E HN 0.303 nan 8.360 nan 0.000 0.408 751 L N 3.285 124.721 121.223 0.355 0.000 2.485 751 L HA 0.549 4.890 4.340 0.001 0.000 0.260 751 L C 0.574 177.547 176.870 0.171 0.000 0.998 751 L CA 0.481 55.493 54.840 0.286 0.000 0.883 751 L CB 0.738 43.041 42.059 0.408 0.000 1.196 751 L HN 0.665 nan 8.230 nan 0.000 0.443 752 G N 4.255 113.122 108.800 0.112 0.000 2.672 752 G HA2 -0.492 3.469 3.960 0.001 0.000 0.332 752 G HA3 -0.492 3.469 3.960 0.001 0.000 0.332 752 G C 0.973 175.893 174.900 0.032 0.000 1.213 752 G CA 0.877 46.014 45.100 0.061 0.000 0.980 752 G HN 0.708 nan 8.290 nan 0.000 0.548 753 N N 1.530 120.236 118.700 0.011 0.000 2.494 753 N HA 0.067 4.807 4.740 0.001 0.000 0.182 753 N C 0.694 176.170 175.510 -0.057 0.000 1.076 753 N CA 1.108 54.145 53.050 -0.023 0.000 0.908 753 N CB -0.055 38.416 38.487 -0.026 0.000 0.967 753 N HN 0.626 nan 8.380 nan 0.000 0.449 754 K N 0.193 120.547 120.400 -0.076 0.000 2.110 754 K HA 0.367 4.687 4.320 0.001 0.000 0.263 754 K C -0.341 176.088 176.600 -0.284 0.000 0.975 754 K CA -0.524 55.599 56.287 -0.272 0.000 0.895 754 K CB 2.045 34.295 32.500 -0.416 0.000 1.060 754 K HN -0.072 nan 8.250 nan 0.000 0.448 755 R N 2.252 122.499 120.500 -0.422 0.000 2.564 755 R HA 0.305 4.645 4.340 0.001 0.000 0.284 755 R C -1.609 174.559 176.300 -0.220 0.000 1.031 755 R CA -0.584 55.460 56.100 -0.093 0.000 0.904 755 R CB 1.200 31.573 30.300 0.121 0.000 1.199 755 R HN 0.628 nan 8.270 nan 0.000 0.443 756 W N 3.823 125.203 121.300 0.133 0.000 2.532 756 W HA 0.318 4.978 4.660 0.001 0.000 0.321 756 W C -0.477 176.068 176.519 0.044 0.000 1.037 756 W CA -0.666 56.675 57.345 -0.007 0.000 1.220 756 W CB 2.026 31.486 29.460 -0.000 0.000 1.361 756 W HN 0.427 nan 8.180 nan 0.000 0.468 757 Q N 3.043 122.879 119.800 0.060 0.000 2.341 757 Q HA 0.379 4.720 4.340 0.001 0.000 0.268 757 Q C -1.715 174.190 176.000 -0.158 0.000 1.013 757 Q CA -0.496 55.371 55.803 0.107 0.000 0.798 757 Q CB 1.031 29.919 28.738 0.251 0.000 1.253 757 Q HN 0.332 nan 8.270 nan 0.000 0.457 758 F N 3.006 123.030 119.950 0.123 0.000 2.388 758 F HA 0.287 4.815 4.527 0.001 0.000 0.358 758 F C 0.641 176.482 175.800 0.067 0.000 1.122 758 F CA -0.879 57.168 58.000 0.079 0.000 1.056 758 F CB 1.023 40.078 39.000 0.092 0.000 1.155 758 F HN 0.486 nan 8.300 nan 0.000 0.461 759 N N 3.565 122.372 118.700 0.178 0.000 2.452 759 N HA 0.072 4.813 4.740 0.001 0.000 0.266 759 N C 0.969 176.516 175.510 0.063 0.000 1.175 759 N CA 0.182 53.292 53.050 0.100 0.000 0.945 759 N CB 0.721 39.270 38.487 0.104 0.000 1.063 759 N HN 0.670 nan 8.380 nan 0.000 0.472 760 R N 1.971 122.440 120.500 -0.051 0.000 2.193 760 R HA -0.117 4.224 4.340 0.001 0.000 0.213 760 R C 1.607 177.862 176.300 -0.076 0.000 1.055 760 R CA 0.894 56.917 56.100 -0.130 0.000 0.995 760 R CB 0.160 30.257 30.300 -0.337 0.000 0.893 760 R HN 0.662 nan 8.270 nan 0.000 0.459 761 Q N 0.343 120.120 119.800 -0.039 0.000 2.212 761 Q HA -0.047 4.294 4.340 0.001 0.000 0.199 761 Q C 1.711 177.707 176.000 -0.007 0.000 0.950 761 Q CA 1.968 57.757 55.803 -0.024 0.000 0.863 761 Q CB 0.047 28.782 28.738 -0.006 0.000 0.944 761 Q HN 0.153 nan 8.270 nan 0.000 0.465 762 S N -1.561 114.158 115.700 0.033 0.000 2.497 762 S HA 0.384 4.855 4.470 0.001 0.000 0.221 762 S C 1.598 176.152 174.600 -0.077 0.000 1.037 762 S CA 0.249 58.491 58.200 0.069 0.000 0.920 762 S CB -0.015 63.333 63.200 0.246 0.000 0.800 762 S HN 0.953 nan 8.310 nan 0.000 0.505 763 G N 0.534 109.306 108.800 -0.046 0.000 2.143 763 G HA2 -0.214 3.747 3.960 0.001 0.000 0.249 763 G HA3 -0.214 3.747 3.960 0.001 0.000 0.249 763 G C -0.113 174.779 174.900 -0.013 0.000 0.981 763 G CA 0.245 45.311 45.100 -0.056 0.000 0.665 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.048 119.083 119.950 0.302 0.000 2.507 764 F HA 0.656 5.184 4.527 0.001 0.000 0.327 764 F C 0.582 176.429 175.800 0.078 0.000 1.068 764 F CA -1.448 56.684 58.000 0.220 0.000 0.965 764 F CB 1.464 40.544 39.000 0.134 0.000 1.192 764 F HN 0.007 nan 8.300 nan 0.000 0.476 765 L N 2.259 123.544 121.223 0.103 0.000 2.565 765 L HA 0.100 4.440 4.340 0.001 0.000 0.275 765 L C 1.030 177.781 176.870 -0.198 0.000 1.137 765 L CA 0.514 55.083 54.840 -0.452 0.000 0.915 765 L CB 0.194 41.892 42.059 -0.602 0.000 1.232 765 L HN 0.727 nan 8.230 nan 0.000 0.473 766 S N 2.544 118.127 115.700 -0.194 0.000 2.470 766 S HA 0.223 4.693 4.470 0.001 0.000 0.222 766 S C 0.599 175.052 174.600 -0.245 0.000 1.024 766 S CA -0.073 58.054 58.200 -0.121 0.000 0.931 766 S CB 0.108 63.291 63.200 -0.028 0.000 0.791 766 S HN 0.657 nan 8.310 nan 0.000 0.513 767 Q N -0.240 119.335 119.800 -0.375 0.000 2.426 767 Q HA 0.653 4.993 4.340 0.001 0.000 0.278 767 Q C -1.973 173.597 176.000 -0.717 0.000 1.007 767 Q CA -0.231 55.193 55.803 -0.632 0.000 0.850 767 Q CB 1.821 30.025 28.738 -0.891 0.000 1.427 767 Q HN 0.420 nan 8.270 nan 0.000 0.391 768 M N 1.801 120.904 119.600 -0.827 0.000 2.457 768 M HA 0.604 5.084 4.480 0.001 0.000 0.300 768 M C -1.376 174.482 176.300 -0.737 0.000 1.141 768 M CA -0.472 54.403 55.300 -0.708 0.000 0.901 768 M CB 2.048 34.256 32.600 -0.653 0.000 1.687 768 M HN 0.454 nan 8.290 nan 0.000 0.449 769 W N 3.429 124.503 121.300 -0.376 0.000 2.819 769 W HA 0.602 5.262 4.660 0.000 0.000 0.337 769 W C -1.305 175.021 176.519 -0.322 0.000 1.077 769 W CA -0.626 56.553 57.345 -0.276 0.000 1.226 769 W CB 1.593 30.930 29.460 -0.204 0.000 1.419 769 W HN 0.499 nan 8.180 nan 0.000 0.502 770 I N 3.249 123.810 120.570 -0.016 0.000 2.437 770 I HA 0.398 4.568 4.170 0.001 0.000 0.279 770 I C 0.850 176.961 176.117 -0.011 0.000 1.028 770 I CA 0.091 61.350 61.300 -0.067 0.000 1.142 770 I CB 0.915 38.850 38.000 -0.108 0.000 1.266 770 I HN 0.708 nan 8.210 nan 0.000 0.461 771 G N 5.382 114.173 108.800 -0.015 0.000 2.565 771 G HA2 -0.295 3.666 3.960 0.001 0.000 0.295 771 G HA3 -0.295 3.666 3.960 0.001 0.000 0.295 771 G C 0.500 175.405 174.900 0.007 0.000 1.165 771 G CA 0.460 45.549 45.100 -0.018 0.000 0.977 771 G HN 0.542 nan 8.290 nan 0.000 0.546 772 D N 1.523 121.935 120.400 0.019 0.000 2.349 772 D HA 0.138 4.779 4.640 0.001 0.000 0.214 772 D C 0.748 177.144 176.300 0.159 0.000 1.063 772 D CA 0.320 54.351 54.000 0.052 0.000 0.847 772 D CB 0.150 40.953 40.800 0.006 0.000 0.933 772 D HN 0.195 nan 8.370 nan 0.000 0.513 773 K N 1.756 122.230 120.400 0.124 0.000 2.316 773 K HA 0.176 4.496 4.320 0.001 0.000 0.289 773 K C 0.280 176.912 176.600 0.054 0.000 1.070 773 K CA -0.127 56.203 56.287 0.072 0.000 0.928 773 K CB 1.247 33.745 32.500 -0.004 0.000 1.039 773 K HN -0.023 nan 8.250 nan 0.000 0.480 774 K N 2.351 122.738 120.400 -0.021 0.000 2.326 774 K HA 0.027 4.348 4.320 0.001 0.000 0.275 774 K C 1.187 177.641 176.600 -0.243 0.000 1.018 774 K CA -0.173 55.925 56.287 -0.314 0.000 0.962 774 K CB 0.779 33.126 32.500 -0.255 0.000 0.953 774 K HN 0.327 nan 8.250 nan 0.000 0.475 775 Q N 1.376 120.981 119.800 -0.325 0.000 2.392 775 Q HA 0.172 4.513 4.340 0.001 0.000 0.219 775 Q C 0.173 176.109 176.000 -0.107 0.000 0.895 775 Q CA 0.599 56.324 55.803 -0.129 0.000 0.929 775 Q CB 0.417 29.111 28.738 -0.074 0.000 1.077 775 Q HN 0.494 nan 8.270 nan 0.000 0.532 776 L N 0.444 121.525 121.223 -0.235 0.000 2.342 776 L HA 0.388 4.728 4.340 0.001 0.000 0.271 776 L C 0.881 177.624 176.870 -0.211 0.000 1.008 776 L CA -0.381 54.336 54.840 -0.205 0.000 0.818 776 L CB 1.757 43.678 42.059 -0.231 0.000 1.296 776 L HN -0.097 nan 8.230 nan 0.000 0.427 777 L N 0.085 121.180 121.223 -0.214 0.000 2.537 777 L HA 0.253 4.593 4.340 0.001 0.000 0.224 777 L C 0.065 176.824 176.870 -0.185 0.000 1.065 777 L CA 0.607 55.330 54.840 -0.196 0.000 0.860 777 L CB 0.635 42.563 42.059 -0.218 0.000 1.086 777 L HN 0.604 nan 8.230 nan 0.000 0.482 778 T N 0.310 114.723 114.554 -0.234 0.000 2.886 778 T HA 0.410 4.760 4.350 0.001 0.000 0.292 778 T C -2.553 172.065 174.700 -0.137 0.000 1.012 778 T CA -1.221 60.785 62.100 -0.158 0.000 0.982 778 T CB 2.397 71.170 68.868 -0.158 0.000 1.018 778 T HN -0.261 nan 8.240 nan 0.000 0.451 779 P HA 0.136 nan 4.420 nan 0.000 0.269 779 P C -0.583 176.662 177.300 -0.091 0.000 1.217 779 P CA -0.724 62.326 63.100 -0.082 0.000 0.783 779 P CB 0.427 32.111 31.700 -0.027 0.000 0.898 780 L N 3.238 124.436 121.223 -0.041 0.000 2.369 780 L HA 0.240 4.581 4.340 0.001 0.000 0.279 780 L C 0.168 176.962 176.870 -0.126 0.000 1.108 780 L CA 0.690 55.538 54.840 0.014 0.000 0.852 780 L CB -0.609 41.559 42.059 0.183 0.000 1.169 780 L HN 0.290 nan 8.230 nan 0.000 0.452 781 R N 2.792 123.132 120.500 -0.266 0.000 2.837 781 R HA 0.449 4.789 4.340 0.001 0.000 0.271 781 R C -1.003 175.146 176.300 -0.251 0.000 0.993 781 R CA -1.041 54.713 56.100 -0.577 0.000 0.931 781 R CB 1.276 31.122 30.300 -0.756 0.000 1.206 781 R HN 0.554 nan 8.270 nan 0.000 0.474 782 D N 1.226 121.535 120.400 -0.151 0.000 2.399 782 D HA 0.039 4.679 4.640 0.001 0.000 0.241 782 D C -0.452 175.420 176.300 -0.714 0.000 1.133 782 D CA 0.468 54.196 54.000 -0.453 0.000 0.890 782 D CB 0.696 41.103 40.800 -0.656 0.000 1.201 782 D HN 0.180 nan 8.370 nan 0.000 0.432 783 Q N 1.301 120.502 119.800 -0.999 0.000 2.305 783 Q HA 0.350 4.691 4.340 0.001 0.000 0.271 783 Q C -1.189 174.089 176.000 -1.204 0.000 1.046 783 Q CA -0.605 54.673 55.803 -0.875 0.000 0.798 783 Q CB 0.891 29.344 28.738 -0.476 0.000 1.286 783 Q HN 0.573 nan 8.270 nan 0.000 0.435 784 F N 0.453 120.005 119.950 -0.664 0.000 2.746 784 F HA 0.188 4.715 4.527 0.001 0.000 0.320 784 F C 0.571 175.932 175.800 -0.732 0.000 1.097 784 F CA -0.264 57.232 58.000 -0.841 0.000 1.195 784 F CB 1.548 39.681 39.000 -1.445 0.000 1.056 784 F HN 0.407 nan 8.300 nan 0.000 0.562 785 T N -0.650 113.603 114.554 -0.502 0.000 2.924 785 T HA 0.735 5.086 4.350 0.001 0.000 0.291 785 T C -0.525 173.929 174.700 -0.409 0.000 1.045 785 T CA -0.952 60.788 62.100 -0.601 0.000 1.015 785 T CB 2.642 71.097 68.868 -0.687 0.000 1.103 785 T HN 0.252 nan 8.240 nan 0.000 0.496 786 R N 0.266 120.553 120.500 -0.354 0.000 2.807 786 R HA 0.770 5.111 4.340 0.001 0.000 0.276 786 R C -0.587 175.758 176.300 0.075 0.000 0.979 786 R CA -1.179 54.846 56.100 -0.124 0.000 0.928 786 R CB 1.526 31.756 30.300 -0.116 0.000 1.191 786 R HN 0.807 nan 8.270 nan 0.000 0.471 787 A N 3.775 126.629 122.820 0.057 0.000 2.545 787 A HA 0.237 4.557 4.320 0.001 0.000 0.253 787 A C -1.953 175.687 177.584 0.093 0.000 1.074 787 A CA -1.148 50.923 52.037 0.058 0.000 0.760 787 A CB -0.474 18.511 19.000 -0.025 0.000 1.005 787 A HN 0.583 nan 8.150 nan 0.000 0.506 788 P HA 0.153 nan 4.420 nan 0.000 0.267 788 P C -0.224 177.155 177.300 0.132 0.000 1.205 788 P CA 0.236 63.473 63.100 0.229 0.000 0.765 788 P CB 0.447 32.309 31.700 0.269 0.000 0.828 789 L N 2.691 123.962 121.223 0.081 0.000 2.472 789 L HA 0.087 4.427 4.340 0.001 0.000 0.260 789 L C 1.796 178.647 176.870 -0.030 0.000 1.209 789 L CA -0.340 54.477 54.840 -0.038 0.000 0.817 789 L CB -0.173 41.806 42.059 -0.134 0.000 1.106 789 L HN 0.279 nan 8.230 nan 0.000 0.479 790 D N 0.285 120.609 120.400 -0.127 0.000 2.149 790 D HA -0.161 4.480 4.640 0.001 0.000 0.198 790 D C 1.662 177.865 176.300 -0.161 0.000 0.990 790 D CA 1.353 55.227 54.000 -0.211 0.000 0.839 790 D CB -0.107 40.489 40.800 -0.340 0.000 0.948 790 D HN 0.473 nan 8.370 nan 0.000 0.460 791 N N 0.910 119.531 118.700 -0.131 0.000 2.244 791 N HA -0.103 4.637 4.740 0.001 0.000 0.183 791 N C 1.145 176.653 175.510 -0.003 0.000 1.016 791 N CA 0.704 53.707 53.050 -0.079 0.000 0.866 791 N CB -0.187 38.245 38.487 -0.091 0.000 0.980 791 N HN 0.223 nan 8.380 nan 0.000 0.430 792 D N 0.530 120.946 120.400 0.025 0.000 2.178 792 D HA -0.016 4.624 4.640 0.001 0.000 0.202 792 D C 1.961 178.298 176.300 0.061 0.000 0.974 792 D CA 0.546 54.598 54.000 0.087 0.000 0.841 792 D CB 0.071 41.004 40.800 0.220 0.000 0.953 792 D HN 0.346 nan 8.370 nan 0.000 0.478 793 I N -0.099 120.494 120.570 0.038 0.000 2.494 793 I HA 0.084 4.255 4.170 0.001 0.000 0.250 793 I C 1.841 177.974 176.117 0.027 0.000 1.112 793 I CA 0.599 61.916 61.300 0.028 0.000 1.438 793 I CB -0.324 37.679 38.000 0.005 0.000 1.111 793 I HN 0.071 nan 8.210 nan 0.000 0.431 794 G N 1.451 110.272 108.800 0.035 0.000 2.583 794 G HA2 -0.341 3.620 3.960 0.001 0.000 0.292 794 G HA3 -0.341 3.620 3.960 0.001 0.000 0.292 794 G C 0.666 175.727 174.900 0.268 0.000 1.203 794 G CA 0.780 45.961 45.100 0.135 0.000 0.987 794 G HN 0.529 nan 8.290 nan 0.000 0.554 795 V N -1.877 118.158 119.914 0.200 0.000 3.514 795 V HA 0.619 4.740 4.120 0.001 0.000 0.301 795 V C 1.209 177.333 176.094 0.050 0.000 1.346 795 V CA 1.191 63.563 62.300 0.120 0.000 1.156 795 V CB 0.147 31.940 31.823 -0.050 0.000 1.029 795 V HN 1.255 nan 8.190 nan 0.000 0.428 796 S N 1.269 116.997 115.700 0.047 0.000 2.533 796 S HA 0.322 4.792 4.470 0.001 0.000 0.282 796 S C -0.008 174.607 174.600 0.026 0.000 1.304 796 S CA -0.027 58.184 58.200 0.018 0.000 1.063 796 S CB 0.265 63.470 63.200 0.008 0.000 0.881 796 S HN 0.790 nan 8.310 nan 0.000 0.493 797 E N 1.656 121.867 120.200 0.018 0.000 2.410 797 E HA 0.566 4.917 4.350 0.001 0.000 0.269 797 E C 0.704 177.319 176.600 0.025 0.000 0.937 797 E CA -0.709 55.707 56.400 0.027 0.000 0.793 797 E CB 1.319 31.034 29.700 0.024 0.000 1.314 797 E HN 0.586 nan 8.360 nan 0.000 0.447 798 A N 0.186 123.026 122.820 0.034 0.000 1.933 798 A HA -0.173 4.148 4.320 0.001 0.000 0.218 798 A C 2.017 179.615 177.584 0.023 0.000 1.175 798 A CA 2.451 54.507 52.037 0.031 0.000 0.628 798 A CB -0.917 18.107 19.000 0.040 0.000 0.814 798 A HN 0.682 nan 8.150 nan 0.000 0.444 799 T N -3.239 111.328 114.554 0.022 0.000 3.009 799 T HA 0.140 4.490 4.350 0.001 0.000 0.258 799 T C 1.008 175.710 174.700 0.003 0.000 1.063 799 T CA 0.375 62.483 62.100 0.014 0.000 1.139 799 T CB -0.042 68.836 68.868 0.016 0.000 0.890 799 T HN 0.342 nan 8.240 nan 0.000 0.471 800 R N 0.925 121.425 120.500 -0.001 0.000 2.402 800 R HA 0.507 4.847 4.340 0.001 0.000 0.290 800 R C -1.043 175.250 176.300 -0.013 0.000 1.321 800 R CA -0.400 55.693 56.100 -0.013 0.000 1.283 800 R CB 0.725 31.009 30.300 -0.026 0.000 1.111 800 R HN 0.369 nan 8.270 nan 0.000 0.578 801 I N 1.750 122.313 120.570 -0.011 0.000 2.471 801 I HA -0.021 4.149 4.170 0.001 0.000 0.286 801 I C 0.394 176.495 176.117 -0.026 0.000 1.079 801 I CA 0.136 61.429 61.300 -0.013 0.000 1.398 801 I CB 0.627 38.622 38.000 -0.008 0.000 1.403 801 I HN 0.304 nan 8.210 nan 0.000 0.530 802 D N 9.631 130.012 120.400 -0.030 0.000 2.443 802 D HA 0.208 4.848 4.640 0.001 0.000 0.221 802 D C -1.559 174.701 176.300 -0.068 0.000 1.097 802 D CA -2.393 51.580 54.000 -0.046 0.000 0.865 802 D CB 1.317 42.093 40.800 -0.039 0.000 1.034 802 D HN 0.220 nan 8.370 nan 0.000 0.511 803 P HA -0.088 nan 4.420 nan 0.000 0.230 803 P C 0.848 178.057 177.300 -0.151 0.000 1.158 803 P CA 0.490 63.533 63.100 -0.094 0.000 0.769 803 P CB 0.501 32.154 31.700 -0.077 0.000 0.807 804 N N 0.386 118.989 118.700 -0.162 0.000 2.416 804 N HA 0.022 4.763 4.740 0.001 0.000 0.177 804 N C 0.532 175.846 175.510 -0.326 0.000 1.036 804 N CA 0.137 53.045 53.050 -0.236 0.000 0.901 804 N CB -0.537 37.841 38.487 -0.182 0.000 0.976 804 N HN -0.049 nan 8.380 nan 0.000 0.444 805 A N -0.393 122.287 122.820 -0.233 0.000 2.531 805 A HA 0.027 4.348 4.320 0.001 0.000 0.236 805 A C 0.734 178.118 177.584 -0.334 0.000 1.062 805 A CA -0.245 51.657 52.037 -0.225 0.000 0.760 805 A CB -0.250 18.690 19.000 -0.100 0.000 0.995 805 A HN 0.548 nan 8.150 nan 0.000 0.501 806 W N 1.729 122.768 121.300 -0.436 0.000 2.338 806 W HA -0.171 4.489 4.660 0.000 0.000 0.304 806 W C 2.205 178.092 176.519 -1.053 0.000 1.212 806 W CA 1.643 58.446 57.345 -0.903 0.000 1.264 806 W CB -0.273 28.547 29.460 -1.067 0.000 1.142 806 W HN 0.569 nan 8.180 nan 0.000 0.512 807 V N 0.806 120.579 119.914 -0.233 0.000 2.407 807 V HA -0.254 3.866 4.120 0.001 0.000 0.248 807 V C 2.102 178.283 176.094 0.145 0.000 1.055 807 V CA 2.071 64.471 62.300 0.167 0.000 1.049 807 V CB -0.301 31.657 31.823 0.226 0.000 0.662 807 V HN 0.085 nan 8.190 nan 0.000 0.455 808 E N -0.173 120.017 120.200 -0.017 0.000 2.112 808 E HA -0.136 4.215 4.350 0.001 0.000 0.190 808 E C 2.343 178.913 176.600 -0.049 0.000 0.979 808 E CA 0.859 57.251 56.400 -0.015 0.000 0.814 808 E CB -0.306 29.363 29.700 -0.052 0.000 0.762 808 E HN 0.595 nan 8.360 nan 0.000 0.460 809 R N -0.042 120.351 120.500 -0.179 0.000 2.081 809 R HA -0.123 4.218 4.340 0.001 0.000 0.235 809 R C 2.278 178.519 176.300 -0.098 0.000 1.131 809 R CA 1.342 57.315 56.100 -0.211 0.000 0.960 809 R CB -0.166 29.892 30.300 -0.402 0.000 0.856 809 R HN 0.253 nan 8.270 nan 0.000 0.436 810 W N 1.316 122.578 121.300 -0.063 0.000 2.358 810 W HA -0.090 4.570 4.660 0.001 0.000 0.303 810 W C 1.971 178.470 176.519 -0.033 0.000 1.208 810 W CA 0.714 57.934 57.345 -0.208 0.000 1.274 810 W CB -0.698 28.753 29.460 -0.015 0.000 1.138 810 W HN 0.110 nan 8.180 nan 0.000 0.515 811 K N 0.113 120.739 120.400 0.376 0.000 2.026 811 K HA -0.100 4.220 4.320 0.001 0.000 0.208 811 K C 2.274 178.939 176.600 0.109 0.000 1.048 811 K CA 1.850 58.313 56.287 0.292 0.000 0.929 811 K CB -0.598 32.026 32.500 0.207 0.000 0.713 811 K HN -0.020 nan 8.250 nan 0.000 0.439 812 A N 1.009 123.862 122.820 0.055 0.000 2.015 812 A HA -0.052 4.268 4.320 0.001 0.000 0.219 812 A C 2.166 179.741 177.584 -0.016 0.000 1.163 812 A CA 1.674 53.721 52.037 0.018 0.000 0.646 812 A CB -0.461 18.541 19.000 0.003 0.000 0.806 812 A HN 0.343 nan 8.150 nan 0.000 0.448 813 A N -1.887 120.912 122.820 -0.035 0.000 2.169 813 A HA 0.401 4.722 4.320 0.001 0.000 0.212 813 A C 1.815 179.332 177.584 -0.111 0.000 1.153 813 A CA 1.244 53.270 52.037 -0.020 0.000 0.756 813 A CB -0.765 18.223 19.000 -0.021 0.000 0.813 813 A HN 1.837 nan 8.150 nan 0.000 0.471 814 G N -1.656 106.975 108.800 -0.282 0.000 2.141 814 G HA2 -0.292 3.669 3.960 0.001 0.000 0.242 814 G HA3 -0.292 3.669 3.960 0.001 0.000 0.242 814 G C 0.627 175.546 174.900 0.033 0.000 0.982 814 G CA 0.632 45.375 45.100 -0.595 0.000 0.662 814 G HN 0.713 nan 8.290 nan 0.000 0.527 815 H N -1.299 117.770 119.070 -0.001 0.000 2.352 815 H HA -0.132 4.424 4.556 0.001 0.000 0.299 815 H C 2.230 177.546 175.328 -0.021 0.000 1.097 815 H CA 1.819 57.882 56.048 0.025 0.000 1.311 815 H CB 0.076 29.785 29.762 -0.089 0.000 1.377 815 H HN 0.621 nan 8.280 nan 0.000 0.504 816 Y N 0.382 120.819 120.300 0.227 0.000 2.457 816 Y HA -0.087 4.464 4.550 0.001 0.000 0.292 816 Y C 2.166 178.159 175.900 0.155 0.000 1.125 816 Y CA 0.415 58.604 58.100 0.149 0.000 1.254 816 Y CB 0.369 38.899 38.460 0.116 0.000 1.012 816 Y HN 0.181 nan 8.280 nan 0.000 0.555 817 Q N -0.132 119.850 119.800 0.303 0.000 2.282 817 Q HA 0.282 4.623 4.340 0.001 0.000 0.206 817 Q C 0.670 176.866 176.000 0.327 0.000 0.878 817 Q CA 0.123 56.098 55.803 0.287 0.000 0.944 817 Q CB 0.282 29.196 28.738 0.293 0.000 1.100 817 Q HN 0.281 nan 8.270 nan 0.000 0.509 818 A N 1.849 124.882 122.820 0.355 0.000 2.566 818 A HA 0.075 4.395 4.320 0.001 0.000 0.245 818 A C -0.112 177.768 177.584 0.493 0.000 1.056 818 A CA 0.280 52.589 52.037 0.454 0.000 0.757 818 A CB 0.028 19.359 19.000 0.551 0.000 0.979 818 A HN 0.053 nan 8.150 nan 0.000 0.508 819 E N 1.386 121.785 120.200 0.332 0.000 2.171 819 E HA 0.575 4.926 4.350 0.001 0.000 0.271 819 E C -0.119 176.426 176.600 -0.091 0.000 0.916 819 E CA -0.095 56.409 56.400 0.172 0.000 0.774 819 E CB 1.558 31.334 29.700 0.127 0.000 1.128 819 E HN 0.838 nan 8.360 nan 0.000 0.403 820 A N 3.047 125.705 122.820 -0.270 0.000 2.404 820 A HA 0.601 4.922 4.320 0.001 0.000 0.273 820 A C -0.289 177.145 177.584 -0.249 0.000 1.144 820 A CA 0.102 51.737 52.037 -0.670 0.000 0.806 820 A CB 0.254 18.930 19.000 -0.539 0.000 1.080 820 A HN 0.585 nan 8.150 nan 0.000 0.509 821 A N 2.858 125.526 122.820 -0.254 0.000 2.288 821 A HA 0.589 4.909 4.320 0.001 0.000 0.320 821 A C -0.425 177.055 177.584 -0.173 0.000 1.217 821 A CA -0.546 51.411 52.037 -0.135 0.000 0.840 821 A CB 0.502 19.448 19.000 -0.090 0.000 1.179 821 A HN 1.210 nan 8.150 nan 0.000 0.504 822 L N 3.246 124.352 121.223 -0.195 0.000 2.319 822 L HA 0.382 4.722 4.340 0.001 0.000 0.280 822 L C 0.381 177.109 176.870 -0.236 0.000 1.099 822 L CA 0.269 54.894 54.840 -0.357 0.000 0.828 822 L CB 0.426 42.293 42.059 -0.320 0.000 1.150 822 L HN 0.774 nan 8.230 nan 0.000 0.442 823 L N 3.078 124.151 121.223 -0.250 0.000 2.500 823 L HA 0.350 4.690 4.340 0.001 0.000 0.219 823 L C 0.489 177.293 176.870 -0.109 0.000 1.057 823 L CA 0.045 54.807 54.840 -0.130 0.000 0.854 823 L CB 0.033 42.047 42.059 -0.075 0.000 1.078 823 L HN 0.665 nan 8.230 nan 0.000 0.480 824 Q N -0.280 119.434 119.800 -0.144 0.000 2.320 824 Q HA 0.365 4.706 4.340 0.001 0.000 0.272 824 Q C -2.045 173.906 176.000 -0.082 0.000 1.023 824 Q CA -0.435 55.321 55.803 -0.080 0.000 0.855 824 Q CB 3.244 31.958 28.738 -0.039 0.000 1.367 824 Q HN 0.107 nan 8.270 nan 0.000 0.406 825 C N 3.311 122.606 119.300 -0.008 0.000 3.102 825 C HA 0.644 5.104 4.460 0.001 0.000 0.363 825 C C -0.783 174.323 174.990 0.193 0.000 1.048 825 C CA 0.151 59.214 59.018 0.076 0.000 1.330 825 C CB 0.221 28.005 27.740 0.072 0.000 1.771 825 C HN 0.820 nan 8.230 nan 0.000 0.526 826 T N 2.041 116.630 114.554 0.059 0.000 2.924 826 T HA 0.898 5.248 4.350 0.001 0.000 0.291 826 T C -0.434 173.999 174.700 -0.446 0.000 1.045 826 T CA -0.374 61.683 62.100 -0.072 0.000 1.015 826 T CB 1.993 70.820 68.868 -0.068 0.000 1.103 826 T HN 1.497 nan 8.240 nan 0.000 0.496 827 A N 1.807 124.193 122.820 -0.723 0.000 2.343 827 A HA 0.715 5.036 4.320 0.001 0.000 0.308 827 A C -1.126 176.203 177.584 -0.424 0.000 1.092 827 A CA -0.783 50.760 52.037 -0.823 0.000 0.751 827 A CB 1.015 19.115 19.000 -1.501 0.000 1.203 827 A HN 0.843 nan 8.150 nan 0.000 0.452 828 D N 1.231 121.449 120.400 -0.304 0.000 2.457 828 D HA 0.530 5.170 4.640 0.001 0.000 0.240 828 D C -0.776 175.425 176.300 -0.165 0.000 1.041 828 D CA 0.025 53.912 54.000 -0.189 0.000 0.861 828 D CB 2.149 42.867 40.800 -0.136 0.000 1.394 828 D HN 0.360 nan 8.370 nan 0.000 0.473 829 T N 1.734 116.217 114.554 -0.118 0.000 2.758 829 T HA 0.444 4.795 4.350 0.001 0.000 0.285 829 T C 0.547 175.210 174.700 -0.062 0.000 0.981 829 T CA -0.507 61.538 62.100 -0.091 0.000 0.965 829 T CB 0.616 69.441 68.868 -0.072 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.632 122.821 121.223 -0.057 0.000 2.416 830 L HA 0.565 4.906 4.340 0.001 0.000 0.263 830 L C 2.000 178.855 176.870 -0.024 0.000 1.065 830 L CA -1.104 53.712 54.840 -0.040 0.000 0.798 830 L CB 0.273 42.306 42.059 -0.042 0.000 1.267 830 L HN 0.683 nan 8.230 nan 0.000 0.467 831 A N 0.631 123.441 122.820 -0.016 0.000 1.940 831 A HA -0.180 4.141 4.320 0.001 0.000 0.219 831 A C 1.177 178.759 177.584 -0.002 0.000 1.176 831 A CA 2.116 54.150 52.037 -0.006 0.000 0.631 831 A CB -0.478 18.520 19.000 -0.004 0.000 0.814 831 A HN 0.924 nan 8.150 nan 0.000 0.446 832 D N -2.696 117.699 120.400 -0.009 0.000 2.582 832 D HA 0.535 5.176 4.640 0.001 0.000 0.246 832 D C -0.036 176.253 176.300 -0.018 0.000 1.334 832 D CA 0.661 54.657 54.000 -0.007 0.000 0.805 832 D CB -0.219 40.576 40.800 -0.009 0.000 1.087 832 D HN 0.460 nan 8.370 nan 0.000 0.499 833 A N -0.388 122.413 122.820 -0.031 0.000 2.610 833 A HA 0.628 4.948 4.320 0.001 0.000 0.291 833 A C -1.640 175.899 177.584 -0.075 0.000 1.086 833 A CA -0.692 51.311 52.037 -0.056 0.000 0.677 833 A CB 1.777 20.741 19.000 -0.060 0.000 1.278 833 A HN 0.004 nan 8.150 nan 0.000 0.414 834 V N 0.930 120.778 119.914 -0.110 0.000 2.459 834 V HA 0.567 4.687 4.120 0.001 0.000 0.295 834 V C -0.826 175.170 176.094 -0.163 0.000 1.029 834 V CA -0.417 61.799 62.300 -0.140 0.000 0.874 834 V CB 1.299 33.034 31.823 -0.147 0.000 0.985 834 V HN 0.786 nan 8.190 nan 0.000 0.438 835 L N 6.602 127.721 121.223 -0.174 0.000 2.287 835 L HA 0.612 4.952 4.340 0.001 0.000 0.287 835 L C -0.667 176.054 176.870 -0.248 0.000 1.022 835 L CA 0.027 54.768 54.840 -0.166 0.000 0.814 835 L CB 1.060 43.047 42.059 -0.119 0.000 1.217 835 L HN 0.411 nan 8.230 nan 0.000 0.420 836 I N 4.261 124.675 120.570 -0.260 0.000 2.354 836 I HA 0.376 4.547 4.170 0.001 0.000 0.292 836 I C -0.024 176.033 176.117 -0.100 0.000 0.989 836 I CA -0.249 60.841 61.300 -0.350 0.000 1.188 836 I CB 1.330 38.846 38.000 -0.807 0.000 1.342 836 I HN 0.534 nan 8.210 nan 0.000 0.457 837 T N 5.034 119.531 114.554 -0.096 0.000 2.792 837 T HA 0.599 4.949 4.350 0.001 0.000 0.280 837 T C 0.266 174.991 174.700 0.041 0.000 0.990 837 T CA -0.521 61.576 62.100 -0.005 0.000 0.960 837 T CB 1.600 70.449 68.868 -0.033 0.000 0.939 837 T HN 0.775 nan 8.240 nan 0.000 0.439 838 T N -0.315 114.308 114.554 0.115 0.000 2.906 838 T HA 0.872 5.222 4.350 0.001 0.000 0.295 838 T C -1.077 173.686 174.700 0.104 0.000 1.075 838 T CA -1.069 61.099 62.100 0.114 0.000 1.005 838 T CB 2.019 71.045 68.868 0.262 0.000 1.136 838 T HN 0.742 nan 8.240 nan 0.000 0.498 839 A N 1.634 124.446 122.820 -0.013 0.000 2.427 839 A HA 0.741 5.061 4.320 0.001 0.000 0.298 839 A C -1.429 176.064 177.584 -0.151 0.000 1.036 839 A CA -0.785 51.275 52.037 0.038 0.000 0.701 839 A CB 0.855 19.871 19.000 0.027 0.000 1.250 839 A HN 0.993 nan 8.150 nan 0.000 0.412 840 H N 0.268 119.395 119.070 0.096 0.000 2.690 840 H HA 0.770 5.327 4.556 0.001 0.000 0.368 840 H C 0.008 175.375 175.328 0.066 0.000 1.150 840 H CA 0.253 56.277 56.048 -0.040 0.000 1.174 840 H CB 2.125 31.755 29.762 -0.221 0.000 1.684 840 H HN 0.952 nan 8.280 nan 0.000 0.538 841 A N 2.142 124.984 122.820 0.035 0.000 2.318 841 A HA 0.360 4.681 4.320 0.001 0.000 0.317 841 A C -1.188 176.408 177.584 0.020 0.000 1.159 841 A CA -0.713 51.401 52.037 0.129 0.000 0.799 841 A CB 0.877 19.916 19.000 0.066 0.000 1.194 841 A HN 0.604 nan 8.150 nan 0.000 0.479 842 W N 2.251 123.661 121.300 0.182 0.000 2.316 842 W HA 0.387 5.048 4.660 0.001 0.000 0.308 842 W C -0.322 176.216 176.519 0.032 0.000 1.106 842 W CA -0.053 57.396 57.345 0.174 0.000 1.262 842 W CB 1.320 30.971 29.460 0.319 0.000 1.233 842 W HN 0.718 nan 8.180 nan 0.000 0.447 843 Q N 1.528 121.442 119.800 0.190 0.000 2.394 843 Q HA 0.236 4.576 4.340 0.001 0.000 0.273 843 Q C -1.177 174.934 176.000 0.185 0.000 1.089 843 Q CA -0.928 54.949 55.803 0.123 0.000 0.812 843 Q CB 3.167 31.941 28.738 0.060 0.000 1.353 843 Q HN 0.364 nan 8.270 nan 0.000 0.438 844 H N 1.809 120.915 119.070 0.059 0.000 2.860 844 H HA 0.163 4.720 4.556 0.001 0.000 0.312 844 H C -1.020 174.341 175.328 0.055 0.000 0.995 844 H CA -0.096 55.999 56.048 0.078 0.000 1.311 844 H CB 0.503 30.324 29.762 0.098 0.000 1.478 844 H HN 0.642 nan 8.280 nan 0.000 0.508 845 Q N 3.905 123.534 119.800 -0.284 0.000 2.452 845 Q HA -0.253 4.087 4.340 0.001 0.000 0.318 845 Q C 0.959 176.909 176.000 -0.084 0.000 1.386 845 Q CA 1.003 56.669 55.803 -0.228 0.000 0.872 845 Q CB -1.560 26.965 28.738 -0.356 0.000 1.151 845 Q HN 1.275 nan 8.270 nan 0.000 0.417 846 G N -0.512 108.266 108.800 -0.037 0.000 2.241 846 G HA2 -0.353 3.607 3.960 0.001 0.000 0.244 846 G HA3 -0.353 3.607 3.960 0.001 0.000 0.244 846 G C 0.072 174.977 174.900 0.009 0.000 0.998 846 G CA 0.328 45.422 45.100 -0.010 0.000 0.621 846 G HN 0.346 nan 8.290 nan 0.000 0.519 847 K N 2.146 122.560 120.400 0.024 0.000 2.248 847 K HA 0.617 4.938 4.320 0.001 0.000 0.281 847 K C 0.082 176.695 176.600 0.021 0.000 1.054 847 K CA -0.027 56.278 56.287 0.030 0.000 0.903 847 K CB 0.713 33.245 32.500 0.053 0.000 1.077 847 K HN 0.030 nan 8.250 nan 0.000 0.474 848 T N 6.491 121.046 114.554 0.002 0.000 2.727 848 T HA 0.176 4.526 4.350 0.001 0.000 0.295 848 T C 1.133 175.769 174.700 -0.107 0.000 0.915 848 T CA -0.309 61.783 62.100 -0.013 0.000 1.066 848 T CB 0.249 69.128 68.868 0.017 0.000 0.891 848 T HN 0.540 nan 8.240 nan 0.000 0.516 849 L N 2.325 123.389 121.223 -0.264 0.000 2.130 849 L HA 0.324 4.665 4.340 0.001 0.000 0.200 849 L C -0.027 176.301 176.870 -0.905 0.000 1.075 849 L CA 0.846 55.244 54.840 -0.737 0.000 0.768 849 L CB 0.009 41.309 42.059 -1.263 0.000 0.933 849 L HN 0.518 nan 8.230 nan 0.000 0.451 850 F N -0.950 118.944 119.950 -0.094 0.000 2.588 850 F HA 0.577 5.105 4.527 0.001 0.000 0.310 850 F C -0.459 175.419 175.800 0.129 0.000 1.082 850 F CA -0.844 57.044 58.000 -0.188 0.000 0.929 850 F CB 1.710 40.171 39.000 -0.898 0.000 1.254 850 F HN -0.301 nan 8.300 nan 0.000 0.455 851 I N 1.548 122.314 120.570 0.328 0.000 2.433 851 I HA 0.401 4.571 4.170 0.001 0.000 0.292 851 I C -0.603 175.769 176.117 0.425 0.000 1.001 851 I CA -0.582 60.947 61.300 0.381 0.000 1.119 851 I CB 2.122 40.263 38.000 0.235 0.000 1.289 851 I HN 0.579 nan 8.210 nan 0.000 0.438 852 S N 6.747 122.799 115.700 0.587 0.000 2.498 852 S HA 0.557 5.027 4.470 0.001 0.000 0.317 852 S C -0.616 174.223 174.600 0.399 0.000 1.090 852 S CA -0.691 57.821 58.200 0.520 0.000 1.089 852 S CB 0.604 64.226 63.200 0.704 0.000 0.997 852 S HN 0.549 nan 8.310 nan 0.000 0.470 853 R N 3.502 124.156 120.500 0.257 0.000 2.387 853 R HA 0.540 4.881 4.340 0.001 0.000 0.314 853 R C -0.719 175.647 176.300 0.109 0.000 0.958 853 R CA -0.710 55.497 56.100 0.179 0.000 0.846 853 R CB 1.720 32.099 30.300 0.132 0.000 1.147 853 R HN 0.540 nan 8.270 nan 0.000 0.447 854 K N 0.997 121.454 120.400 0.094 0.000 2.435 854 K HA 0.428 4.749 4.320 0.001 0.000 0.251 854 K C -0.723 175.841 176.600 -0.059 0.000 0.954 854 K CA -0.847 55.417 56.287 -0.037 0.000 0.820 854 K CB 2.590 35.050 32.500 -0.068 0.000 1.292 854 K HN 0.617 nan 8.250 nan 0.000 0.436 855 T N -1.357 113.091 114.554 -0.175 0.000 2.876 855 T HA 0.548 4.899 4.350 0.001 0.000 0.289 855 T C -1.148 173.395 174.700 -0.262 0.000 1.014 855 T CA -0.739 61.289 62.100 -0.121 0.000 0.986 855 T CB 0.553 69.386 68.868 -0.059 0.000 1.021 855 T HN 0.384 nan 8.240 nan 0.000 0.458 856 Y N 0.808 121.067 120.300 -0.068 0.000 2.326 856 Y HA 0.581 5.131 4.550 0.000 0.000 0.331 856 Y C 0.504 176.332 175.900 -0.120 0.000 0.962 856 Y CA -1.057 57.016 58.100 -0.045 0.000 1.167 856 Y CB 1.749 40.201 38.460 -0.014 0.000 1.148 856 Y HN 0.588 nan 8.280 nan 0.000 0.463 857 R N 4.619 125.137 120.500 0.031 0.000 2.288 857 R HA 0.616 4.957 4.340 0.001 0.000 0.326 857 R C -1.552 174.695 176.300 -0.089 0.000 0.959 857 R CA -0.464 55.611 56.100 -0.042 0.000 0.834 857 R CB 0.537 30.819 30.300 -0.031 0.000 1.157 857 R HN 0.767 nan 8.270 nan 0.000 0.470 858 I N 5.113 125.574 120.570 -0.182 0.000 2.355 858 I HA 0.189 4.360 4.170 0.001 0.000 0.288 858 I C -0.212 175.776 176.117 -0.215 0.000 0.999 858 I CA -0.685 60.422 61.300 -0.321 0.000 1.163 858 I CB 1.446 39.026 38.000 -0.701 0.000 1.316 858 I HN 0.653 nan 8.210 nan 0.000 0.454 859 D N 4.246 124.563 120.400 -0.138 0.000 2.588 859 D HA 0.266 4.907 4.640 0.001 0.000 0.268 859 D C 1.255 177.538 176.300 -0.029 0.000 1.176 859 D CA -0.756 53.204 54.000 -0.067 0.000 1.080 859 D CB 0.558 41.337 40.800 -0.035 0.000 1.186 859 D HN 0.437 nan 8.370 nan 0.000 0.619 860 G N -1.469 107.333 108.800 0.002 0.000 2.776 860 G HA2 -0.096 3.864 3.960 0.001 0.000 0.209 860 G HA3 -0.096 3.864 3.960 0.001 0.000 0.209 860 G C 1.016 175.951 174.900 0.058 0.000 1.145 860 G CA 0.832 45.956 45.100 0.039 0.000 0.791 860 G HN 0.491 nan 8.290 nan 0.000 0.530 861 S N -1.225 114.502 115.700 0.046 0.000 2.548 861 S HA 0.374 4.844 4.470 0.001 0.000 0.215 861 S C 1.824 176.488 174.600 0.107 0.000 0.976 861 S CA 0.866 59.104 58.200 0.064 0.000 0.908 861 S CB 0.163 63.389 63.200 0.042 0.000 0.781 861 S HN 1.329 nan 8.310 nan 0.000 0.519 862 G N 0.773 109.654 108.800 0.134 0.000 2.159 862 G HA2 -0.254 3.706 3.960 0.001 0.000 0.256 862 G HA3 -0.254 3.706 3.960 0.001 0.000 0.256 862 G C -0.204 174.832 174.900 0.228 0.000 0.977 862 G CA 0.042 45.299 45.100 0.260 0.000 0.652 862 G HN 0.601 nan 8.290 nan 0.000 0.531 863 Q N -0.256 119.609 119.800 0.108 0.000 2.279 863 Q HA 0.591 4.931 4.340 0.001 0.000 0.256 863 Q C 0.382 176.399 176.000 0.029 0.000 0.937 863 Q CA -0.144 55.723 55.803 0.107 0.000 0.933 863 Q CB 1.306 30.098 28.738 0.090 0.000 1.189 863 Q HN 0.466 nan 8.270 nan 0.000 0.417 864 M N 2.570 122.225 119.600 0.092 0.000 2.055 864 M HA 0.450 4.931 4.480 0.001 0.000 0.347 864 M C -1.098 175.293 176.300 0.153 0.000 1.123 864 M CA -0.491 54.838 55.300 0.049 0.000 1.035 864 M CB 0.608 33.245 32.600 0.062 0.000 1.484 864 M HN 0.675 nan 8.290 nan 0.000 0.428 865 A N 7.009 129.882 122.820 0.089 0.000 2.347 865 A HA 0.553 4.874 4.320 0.001 0.000 0.287 865 A C -0.560 177.058 177.584 0.057 0.000 1.199 865 A CA -0.469 51.621 52.037 0.088 0.000 0.851 865 A CB -0.204 18.828 19.000 0.053 0.000 1.118 865 A HN 0.928 nan 8.150 nan 0.000 0.525 866 I N 2.729 123.328 120.570 0.048 0.000 2.339 866 I HA 0.272 4.442 4.170 0.001 0.000 0.290 866 I C 0.041 176.061 176.117 -0.162 0.000 0.994 866 I CA -0.096 61.135 61.300 -0.114 0.000 1.191 866 I CB 1.868 39.830 38.000 -0.062 0.000 1.343 866 I HN 0.489 nan 8.210 nan 0.000 0.458 867 T N 5.910 120.328 114.554 -0.228 0.000 2.794 867 T HA 0.541 4.891 4.350 0.001 0.000 0.280 867 T C -0.258 174.241 174.700 -0.335 0.000 0.987 867 T CA -0.471 61.492 62.100 -0.228 0.000 0.993 867 T CB 1.760 70.590 68.868 -0.063 0.000 0.939 867 T HN 0.211 nan 8.240 nan 0.000 0.449 868 V N 3.745 123.339 119.914 -0.533 0.000 2.531 868 V HA 0.457 4.577 4.120 0.001 0.000 0.301 868 V C -0.739 175.171 176.094 -0.308 0.000 1.034 868 V CA -0.911 61.081 62.300 -0.512 0.000 0.865 868 V CB 1.975 33.209 31.823 -0.982 0.000 0.995 868 V HN 0.862 nan 8.190 nan 0.000 0.424 869 D N 3.576 123.962 120.400 -0.024 0.000 2.549 869 D HA 0.498 5.138 4.640 0.001 0.000 0.251 869 D C -0.995 175.422 176.300 0.194 0.000 1.153 869 D CA -0.133 53.952 54.000 0.142 0.000 0.861 869 D CB 2.790 43.698 40.800 0.181 0.000 1.207 869 D HN 0.263 nan 8.370 nan 0.000 0.543 870 V N 2.414 122.485 119.914 0.260 0.000 2.513 870 V HA 0.255 4.375 4.120 0.001 0.000 0.299 870 V C 0.182 176.429 176.094 0.255 0.000 1.035 870 V CA -0.719 61.754 62.300 0.289 0.000 0.889 870 V CB 2.313 34.348 31.823 0.354 0.000 0.988 870 V HN 0.356 nan 8.190 nan 0.000 0.440 871 E N 2.805 123.138 120.200 0.221 0.000 2.175 871 E HA 0.561 4.912 4.350 0.001 0.000 0.278 871 E C -1.376 175.342 176.600 0.196 0.000 0.969 871 E CA -0.522 55.988 56.400 0.183 0.000 0.796 871 E CB 2.353 32.140 29.700 0.145 0.000 1.104 871 E HN 0.441 nan 8.360 nan 0.000 0.395 872 V N 2.456 122.492 119.914 0.204 0.000 2.378 872 V HA 0.324 4.445 4.120 0.001 0.000 0.288 872 V C 0.191 176.374 176.094 0.149 0.000 1.016 872 V CA -0.972 61.465 62.300 0.228 0.000 0.840 872 V CB 1.336 33.340 31.823 0.303 0.000 0.994 872 V HN 0.821 nan 8.190 nan 0.000 0.431 873 A N 3.733 126.592 122.820 0.065 0.000 2.566 873 A HA 0.210 4.531 4.320 0.001 0.000 0.245 873 A C 1.677 179.323 177.584 0.103 0.000 1.056 873 A CA 0.664 52.730 52.037 0.049 0.000 0.757 873 A CB 0.160 19.150 19.000 -0.016 0.000 0.979 873 A HN 1.367 nan 8.150 nan 0.000 0.508 874 S N 1.442 117.203 115.700 0.102 0.000 2.440 874 S HA -0.176 4.295 4.470 0.001 0.000 0.238 874 S C 0.945 175.618 174.600 0.120 0.000 1.010 874 S CA 1.384 59.662 58.200 0.131 0.000 0.972 874 S CB -0.281 62.977 63.200 0.096 0.000 0.774 874 S HN 0.842 nan 8.310 nan 0.000 0.501 875 D N 0.080 120.526 120.400 0.076 0.000 2.349 875 D HA 0.129 4.769 4.640 0.001 0.000 0.214 875 D C 0.486 176.812 176.300 0.044 0.000 1.063 875 D CA 0.038 54.066 54.000 0.047 0.000 0.847 875 D CB -0.484 40.334 40.800 0.029 0.000 0.933 875 D HN 0.288 nan 8.370 nan 0.000 0.513 876 T N 2.052 116.655 114.554 0.082 0.000 2.909 876 T HA 0.334 4.684 4.350 0.001 0.000 0.289 876 T C -2.534 172.260 174.700 0.156 0.000 1.005 876 T CA -1.800 60.376 62.100 0.127 0.000 1.084 876 T CB 1.110 70.068 68.868 0.151 0.000 0.975 876 T HN -0.087 nan 8.240 nan 0.000 0.509 877 P HA 0.038 nan 4.420 nan 0.000 0.264 877 P C -0.419 177.171 177.300 0.483 0.000 1.183 877 P CA -0.130 63.059 63.100 0.148 0.000 0.763 877 P CB 0.185 31.943 31.700 0.097 0.000 0.807 878 H N 3.512 122.942 119.070 0.600 0.000 3.125 878 H HA 0.040 4.596 4.556 0.001 0.000 0.310 878 H C -1.704 173.949 175.328 0.542 0.000 0.980 878 H CA -1.354 54.990 56.048 0.494 0.000 1.422 878 H CB -0.887 29.108 29.762 0.389 0.000 1.432 878 H HN 0.365 nan 8.280 nan 0.000 0.577 879 P HA 0.056 nan 4.420 nan 0.000 0.275 879 P C 0.397 177.576 177.300 -0.201 0.000 1.228 879 P CA -0.249 62.908 63.100 0.095 0.000 0.786 879 P CB 0.844 32.475 31.700 -0.115 0.000 0.927 880 A N 3.646 126.070 122.820 -0.659 0.000 1.972 880 A HA -0.126 4.195 4.320 0.001 0.000 0.219 880 A C 1.147 178.333 177.584 -0.663 0.000 1.169 880 A CA 1.406 53.004 52.037 -0.733 0.000 0.635 880 A CB -0.535 17.786 19.000 -1.131 0.000 0.810 880 A HN 0.769 nan 8.150 nan 0.000 0.446 881 R N -2.544 117.614 120.500 -0.570 0.000 2.716 881 R HA 0.686 5.027 4.340 0.001 0.000 0.271 881 R C -1.900 174.171 176.300 -0.382 0.000 1.028 881 R CA -0.817 54.982 56.100 -0.501 0.000 0.883 881 R CB 0.663 30.654 30.300 -0.516 0.000 1.250 881 R HN 0.019 nan 8.270 nan 0.000 0.465 882 I N 1.758 122.142 120.570 -0.311 0.000 2.521 882 I HA 0.570 4.740 4.170 0.001 0.000 0.277 882 I C -0.321 175.583 176.117 -0.356 0.000 1.054 882 I CA -0.434 60.710 61.300 -0.261 0.000 1.117 882 I CB 1.708 39.631 38.000 -0.129 0.000 1.217 882 I HN 0.943 nan 8.210 nan 0.000 0.469 883 G N 5.624 114.147 108.800 -0.462 0.000 2.782 883 G HA2 0.813 4.774 3.960 0.001 0.000 0.304 883 G HA3 0.813 4.774 3.960 0.001 0.000 0.304 883 G C -1.519 173.200 174.900 -0.303 0.000 1.315 883 G CA -0.617 44.242 45.100 -0.402 0.000 0.791 883 G HN 0.241 nan 8.290 nan 0.000 0.519 884 L N 0.946 122.048 121.223 -0.202 0.000 2.341 884 L HA 0.612 4.953 4.340 0.001 0.000 0.267 884 L C -0.775 175.990 176.870 -0.177 0.000 1.009 884 L CA -1.149 53.601 54.840 -0.151 0.000 0.819 884 L CB 2.406 44.461 42.059 -0.006 0.000 1.323 884 L HN 0.764 nan 8.230 nan 0.000 0.425 885 N N 0.916 119.538 118.700 -0.130 0.000 2.416 885 N HA 0.723 5.463 4.740 0.001 0.000 0.276 885 N C -1.193 174.322 175.510 0.008 0.000 1.261 885 N CA -0.616 52.396 53.050 -0.064 0.000 0.790 885 N CB 2.271 40.743 38.487 -0.025 0.000 1.554 885 N HN 0.822 nan 8.380 nan 0.000 0.481 886 C N -1.397 117.921 119.300 0.030 0.000 3.285 886 C HA 0.577 5.038 4.460 0.001 0.000 0.325 886 C C -1.012 173.800 174.990 -0.295 0.000 1.304 886 C CA -0.870 58.114 59.018 -0.056 0.000 1.319 886 C CB 1.028 28.769 27.740 0.002 0.000 1.640 886 C HN 0.842 nan 8.230 nan 0.000 0.477 887 Q N 1.447 120.863 119.800 -0.639 0.000 2.368 887 Q HA 0.632 4.972 4.340 0.001 0.000 0.256 887 Q C -0.968 174.754 176.000 -0.464 0.000 0.980 887 Q CA -0.374 54.827 55.803 -1.004 0.000 0.887 887 Q CB 0.789 28.599 28.738 -1.548 0.000 1.221 887 Q HN 0.767 nan 8.270 nan 0.000 0.458 888 L N 2.417 123.465 121.223 -0.291 0.000 2.417 888 L HA 0.262 4.602 4.340 0.001 0.000 0.268 888 L C 1.181 178.005 176.870 -0.077 0.000 1.158 888 L CA -0.211 54.588 54.840 -0.068 0.000 0.819 888 L CB 0.847 42.975 42.059 0.115 0.000 1.112 888 L HN 0.791 nan 8.230 nan 0.000 0.458 889 A N 1.860 124.666 122.820 -0.024 0.000 1.968 889 A HA -0.095 4.226 4.320 0.001 0.000 0.217 889 A C 1.133 178.720 177.584 0.005 0.000 1.169 889 A CA 0.519 52.532 52.037 -0.040 0.000 0.638 889 A CB -0.249 18.719 19.000 -0.053 0.000 0.812 889 A HN 0.766 nan 8.150 nan 0.000 0.446 890 Q N 0.061 119.906 119.800 0.076 0.000 2.364 890 Q HA 0.380 4.720 4.340 0.001 0.000 0.267 890 Q C -1.075 174.980 176.000 0.092 0.000 0.999 890 Q CA 0.439 56.277 55.803 0.058 0.000 0.886 890 Q CB 0.769 29.547 28.738 0.068 0.000 1.243 890 Q HN 0.150 nan 8.270 nan 0.000 0.415 891 V N 3.769 123.695 119.914 0.019 0.000 2.376 891 V HA 0.764 4.885 4.120 0.001 0.000 0.287 891 V C -0.468 175.593 176.094 -0.055 0.000 1.015 891 V CA -0.386 61.947 62.300 0.055 0.000 0.834 891 V CB 0.875 32.716 31.823 0.031 0.000 1.001 891 V HN 0.888 nan 8.190 nan 0.000 0.428 892 A N 3.227 125.955 122.820 -0.155 0.000 2.330 892 A HA 0.723 5.044 4.320 0.001 0.000 0.329 892 A C 0.699 178.270 177.584 -0.021 0.000 1.135 892 A CA -0.489 51.392 52.037 -0.260 0.000 0.817 892 A CB 1.218 19.803 19.000 -0.691 0.000 1.269 892 A HN 0.797 nan 8.150 nan 0.000 0.469 893 E N 0.031 120.222 120.200 -0.016 0.000 2.112 893 E HA -0.034 4.317 4.350 0.001 0.000 0.190 893 E C 0.111 176.774 176.600 0.104 0.000 0.979 893 E CA 0.688 57.116 56.400 0.047 0.000 0.814 893 E CB 0.141 29.853 29.700 0.020 0.000 0.762 893 E HN 0.419 nan 8.360 nan 0.000 0.460 894 R N 0.487 121.051 120.500 0.108 0.000 2.778 894 R HA 0.491 4.831 4.340 0.001 0.000 0.277 894 R C -0.741 175.728 176.300 0.281 0.000 0.977 894 R CA -0.797 55.400 56.100 0.162 0.000 0.950 894 R CB 1.892 32.256 30.300 0.107 0.000 1.165 894 R HN -0.156 nan 8.270 nan 0.000 0.474 895 V N 2.350 122.453 119.914 0.316 0.000 2.487 895 V HA 0.361 4.481 4.120 0.001 0.000 0.298 895 V C -0.220 176.147 176.094 0.456 0.000 1.028 895 V CA -0.909 61.628 62.300 0.394 0.000 0.860 895 V CB 1.862 33.878 31.823 0.321 0.000 0.991 895 V HN 0.639 nan 8.190 nan 0.000 0.427 896 N N 4.721 123.663 118.700 0.404 0.000 2.399 896 N HA 0.491 5.231 4.740 0.001 0.000 0.280 896 N C -1.456 174.288 175.510 0.390 0.000 1.008 896 N CA -0.420 52.823 53.050 0.322 0.000 0.894 896 N CB 2.417 40.993 38.487 0.149 0.000 1.273 896 N HN 0.814 nan 8.380 nan 0.000 0.486 897 W N 3.604 124.941 121.300 0.060 0.000 3.127 897 W HA 0.558 5.219 4.660 0.001 0.000 0.330 897 W C -1.997 174.483 176.519 -0.065 0.000 1.187 897 W CA -1.137 56.216 57.345 0.013 0.000 1.198 897 W CB 0.661 30.158 29.460 0.062 0.000 1.408 897 W HN 0.212 nan 8.180 nan 0.000 0.529 898 L N 4.906 126.074 121.223 -0.091 0.000 2.264 898 L HA 0.893 5.234 4.340 0.001 0.000 0.287 898 L C 0.082 176.718 176.870 -0.390 0.000 1.039 898 L CA 0.471 55.071 54.840 -0.401 0.000 0.829 898 L CB 0.355 42.266 42.059 -0.246 0.000 1.211 898 L HN 0.962 nan 8.230 nan 0.000 0.427 899 G N 3.791 112.207 108.800 -0.639 0.000 2.335 899 G HA2 0.208 4.169 3.960 0.001 0.000 0.291 899 G HA3 0.208 4.169 3.960 0.001 0.000 0.291 899 G C -1.622 173.253 174.900 -0.042 0.000 1.261 899 G CA -1.063 43.882 45.100 -0.258 0.000 0.871 899 G HN 0.420 nan 8.290 nan 0.000 0.491 900 L N 1.077 122.429 121.223 0.214 0.000 2.367 900 L HA 0.606 4.947 4.340 0.001 0.000 0.275 900 L C 1.078 178.068 176.870 0.200 0.000 1.129 900 L CA 0.757 55.707 54.840 0.183 0.000 0.839 900 L CB 0.588 42.705 42.059 0.096 0.000 1.133 900 L HN 1.161 nan 8.230 nan 0.000 0.453 901 G N 2.894 111.631 108.800 -0.106 0.000 2.428 901 G HA2 0.247 4.207 3.960 0.001 0.000 0.305 901 G HA3 0.247 4.207 3.960 0.001 0.000 0.305 901 G C -2.717 171.433 174.900 -1.250 0.000 1.260 901 G CA -0.257 44.445 45.100 -0.663 0.000 0.853 901 G HN 0.311 nan 8.290 nan 0.000 0.480 902 P HA 0.067 nan 4.420 nan 0.000 0.227 902 P C 0.479 177.564 177.300 -0.358 0.000 1.161 902 P CA 0.695 63.115 63.100 -1.132 0.000 0.788 902 P CB 0.424 31.560 31.700 -0.939 0.000 0.822 903 Q N 0.445 120.034 119.800 -0.352 0.000 2.317 903 Q HA 0.152 4.493 4.340 0.001 0.000 0.229 903 Q C 0.380 176.257 176.000 -0.206 0.000 0.984 903 Q CA -0.663 55.011 55.803 -0.215 0.000 0.911 903 Q CB 0.689 29.323 28.738 -0.174 0.000 1.217 903 Q HN 0.129 nan 8.270 nan 0.000 0.501 904 E N 1.531 121.619 120.200 -0.186 0.000 2.608 904 E HA -0.137 4.213 4.350 0.001 0.000 0.259 904 E C -1.155 175.351 176.600 -0.156 0.000 0.951 904 E CA 0.306 56.585 56.400 -0.202 0.000 0.945 904 E CB 0.185 29.837 29.700 -0.079 0.000 0.916 904 E HN 0.578 nan 8.360 nan 0.000 0.477 905 N N 3.031 121.559 118.700 -0.287 0.000 2.308 905 N HA 0.306 5.046 4.740 0.001 0.000 0.283 905 N C -1.877 173.393 175.510 -0.399 0.000 1.105 905 N CA -0.663 52.270 53.050 -0.194 0.000 0.840 905 N CB 0.753 39.154 38.487 -0.143 0.000 1.633 905 N HN 0.238 nan 8.380 nan 0.000 0.476 906 Y N 0.399 120.612 120.300 -0.145 0.000 2.598 906 Y HA 0.490 5.041 4.550 0.001 0.000 0.340 906 Y C -1.582 174.248 175.900 -0.117 0.000 1.038 906 Y CA -2.057 55.948 58.100 -0.157 0.000 1.100 906 Y CB 2.000 40.368 38.460 -0.154 0.000 1.281 906 Y HN 0.454 nan 8.280 nan 0.000 0.488 907 P HA -0.191 nan 4.420 nan 0.000 0.216 907 P C 0.342 177.520 177.300 -0.203 0.000 1.154 907 P CA 2.141 65.287 63.100 0.076 0.000 0.865 907 P CB 0.188 32.038 31.700 0.250 0.000 0.789 908 D N -2.400 117.654 120.400 -0.578 0.000 2.342 908 D HA 0.019 4.660 4.640 0.001 0.000 0.221 908 D C 0.656 176.788 176.300 -0.281 0.000 1.101 908 D CA 0.049 53.489 54.000 -0.933 0.000 0.837 908 D CB -0.263 39.740 40.800 -1.329 0.000 0.938 908 D HN 0.111 nan 8.370 nan 0.000 0.508 909 R N 1.001 121.443 120.500 -0.095 0.000 2.640 909 R HA 0.166 4.506 4.340 0.001 0.000 0.240 909 R C -0.622 175.704 176.300 0.043 0.000 1.519 909 R CA -0.122 55.989 56.100 0.018 0.000 1.570 909 R CB 0.098 30.416 30.300 0.030 0.000 1.446 909 R HN 0.101 nan 8.270 nan 0.000 0.738 910 L N -2.042 119.212 121.223 0.051 0.000 3.259 910 L HA 0.339 4.680 4.340 0.001 0.000 0.292 910 L C 1.396 178.310 176.870 0.073 0.000 1.219 910 L CA 0.142 55.009 54.840 0.045 0.000 1.035 910 L CB 0.061 42.139 42.059 0.032 0.000 1.424 910 L HN 0.074 nan 8.230 nan 0.000 0.603 911 T N -2.320 112.301 114.554 0.112 0.000 2.788 911 T HA -0.052 4.298 4.350 0.001 0.000 0.268 911 T C 1.860 176.544 174.700 -0.028 0.000 1.044 911 T CA 1.450 63.631 62.100 0.135 0.000 1.139 911 T CB -0.477 68.546 68.868 0.257 0.000 0.867 911 T HN 0.378 nan 8.240 nan 0.000 0.454 912 A N 1.959 124.781 122.820 0.004 0.000 2.015 912 A HA 0.576 4.897 4.320 0.001 0.000 0.219 912 A C 1.678 179.328 177.584 0.110 0.000 1.163 912 A CA 0.699 52.724 52.037 -0.021 0.000 0.646 912 A CB -1.094 18.042 19.000 0.227 0.000 0.806 912 A HN 0.886 nan 8.150 nan 0.000 0.448 913 A N -1.043 121.790 122.820 0.021 0.000 2.425 913 A HA 0.434 4.755 4.320 0.001 0.000 0.249 913 A C 0.033 177.634 177.584 0.027 0.000 1.084 913 A CA -0.064 51.955 52.037 -0.029 0.000 0.781 913 A CB -0.177 18.797 19.000 -0.044 0.000 1.019 913 A HN 0.481 nan 8.150 nan 0.000 0.490 914 C N 1.097 120.419 119.300 0.038 0.000 2.456 914 C HA 0.502 4.962 4.460 0.001 0.000 0.325 914 C C 0.011 175.098 174.990 0.160 0.000 1.217 914 C CA -0.476 58.614 59.018 0.121 0.000 1.687 914 C CB 0.608 28.438 27.740 0.149 0.000 2.270 914 C HN 0.794 nan 8.230 nan 0.000 0.499 915 F N 3.924 123.704 119.950 -0.282 0.000 2.466 915 F HA 0.392 4.919 4.527 0.001 0.000 0.363 915 F C 0.416 175.862 175.800 -0.589 0.000 1.109 915 F CA 1.200 58.857 58.000 -0.572 0.000 1.161 915 F CB -0.155 37.948 39.000 -1.495 0.000 1.117 915 F HN 0.607 nan 8.300 nan 0.000 0.539 916 D N 3.455 123.301 120.400 -0.923 0.000 2.692 916 D HA 0.194 4.835 4.640 0.001 0.000 0.303 916 D C -1.509 173.920 176.300 -1.453 0.000 1.278 916 D CA -0.772 52.534 54.000 -1.158 0.000 0.852 916 D CB 1.630 41.613 40.800 -1.361 0.000 1.375 916 D HN 0.396 nan 8.370 nan 0.000 0.453 917 R N 0.761 120.549 120.500 -1.187 0.000 2.248 917 R HA 0.414 4.754 4.340 0.001 0.000 0.328 917 R C -1.328 174.279 176.300 -1.156 0.000 1.067 917 R CA 0.001 55.531 56.100 -0.950 0.000 0.924 917 R CB 0.012 29.984 30.300 -0.548 0.000 1.013 917 R HN 0.265 nan 8.270 nan 0.000 0.454 918 W N 2.876 123.666 121.300 -0.851 0.000 2.689 918 W HA 0.399 5.059 4.660 0.001 0.000 0.340 918 W C -0.445 175.689 176.519 -0.640 0.000 1.060 918 W CA -0.732 56.051 57.345 -0.937 0.000 1.218 918 W CB 1.769 30.211 29.460 -1.698 0.000 1.410 918 W HN 0.381 nan 8.180 nan 0.000 0.528 919 D N 3.078 123.440 120.400 -0.064 0.000 2.602 919 D HA 0.431 5.071 4.640 0.001 0.000 0.245 919 D C -1.493 174.894 176.300 0.146 0.000 1.325 919 D CA -0.151 53.892 54.000 0.071 0.000 0.952 919 D CB 1.043 41.853 40.800 0.017 0.000 1.317 919 D HN 0.358 nan 8.370 nan 0.000 0.577 920 L N 3.452 124.832 121.223 0.263 0.000 2.350 920 L HA 0.580 4.920 4.340 0.001 0.000 0.260 920 L C -2.211 174.773 176.870 0.190 0.000 1.015 920 L CA -2.070 52.901 54.840 0.219 0.000 0.821 920 L CB 2.754 44.980 42.059 0.278 0.000 1.370 920 L HN 0.182 nan 8.230 nan 0.000 0.416 921 P HA 0.002 nan 4.420 nan 0.000 0.272 921 P C 0.566 177.945 177.300 0.133 0.000 1.223 921 P CA -0.378 62.793 63.100 0.118 0.000 0.784 921 P CB 1.127 32.875 31.700 0.080 0.000 0.923 922 L N 3.329 124.637 121.223 0.142 0.000 2.081 922 L HA -0.236 4.104 4.340 0.001 0.000 0.212 922 L C 2.410 179.338 176.870 0.097 0.000 1.080 922 L CA 2.741 57.661 54.840 0.133 0.000 0.754 922 L CB -1.455 40.698 42.059 0.157 0.000 0.893 922 L HN 0.490 nan 8.230 nan 0.000 0.433 923 S N -1.919 113.839 115.700 0.097 0.000 2.419 923 S HA -0.163 4.308 4.470 0.001 0.000 0.233 923 S C 1.586 176.259 174.600 0.122 0.000 1.016 923 S CA 1.111 59.385 58.200 0.123 0.000 0.974 923 S CB -0.706 62.556 63.200 0.103 0.000 0.786 923 S HN 0.514 nan 8.310 nan 0.000 0.492 924 D N 0.977 121.422 120.400 0.076 0.000 2.371 924 D HA 0.123 4.763 4.640 0.001 0.000 0.221 924 D C 1.192 177.495 176.300 0.004 0.000 0.986 924 D CA 0.567 54.586 54.000 0.032 0.000 0.899 924 D CB -0.082 40.742 40.800 0.040 0.000 0.902 924 D HN 0.388 nan 8.370 nan 0.000 0.530 925 M N -0.593 119.024 119.600 0.027 0.000 2.428 925 M HA 0.081 4.561 4.480 0.001 0.000 0.239 925 M C -0.086 176.225 176.300 0.019 0.000 1.121 925 M CA -0.078 55.195 55.300 -0.045 0.000 1.019 925 M CB -0.578 31.989 32.600 -0.055 0.000 1.485 925 M HN -0.052 nan 8.290 nan 0.000 0.484 926 Y N 0.350 120.622 120.300 -0.047 0.000 2.364 926 Y HA 0.497 5.047 4.550 0.001 0.000 0.340 926 Y C -0.721 175.150 175.900 -0.049 0.000 0.975 926 Y CA -0.934 57.162 58.100 -0.007 0.000 1.089 926 Y CB 1.245 39.765 38.460 0.100 0.000 1.192 926 Y HN -0.120 nan 8.280 nan 0.000 0.454 927 T N 9.045 123.207 114.554 -0.653 0.000 2.743 927 T HA 0.285 4.635 4.350 0.001 0.000 0.292 927 T C -2.703 171.319 174.700 -1.129 0.000 0.972 927 T CA -1.514 60.120 62.100 -0.777 0.000 0.967 927 T CB 1.027 69.540 68.868 -0.593 0.000 0.926 927 T HN 0.457 nan 8.240 nan 0.000 0.459 928 P HA 0.150 nan 4.420 nan 0.000 0.220 928 P C -0.687 176.535 177.300 -0.130 0.000 1.806 928 P CA -0.490 62.243 63.100 -0.610 0.000 0.976 928 P CB -0.711 30.750 31.700 -0.398 0.000 1.952 929 Y N -0.154 120.178 120.300 0.054 0.000 2.712 929 Y HA -0.092 4.458 4.550 0.001 0.000 0.333 929 Y C 2.255 178.286 175.900 0.219 0.000 1.225 929 Y CA -0.395 57.831 58.100 0.210 0.000 1.499 929 Y CB 0.498 39.013 38.460 0.092 0.000 1.288 929 Y HN -0.053 nan 8.280 nan 0.000 0.575 930 V N 3.159 123.364 119.914 0.485 0.000 2.407 930 V HA -0.292 3.828 4.120 0.001 0.000 0.248 930 V C 0.511 176.822 176.094 0.362 0.000 1.055 930 V CA 1.335 63.883 62.300 0.414 0.000 1.049 930 V CB -0.525 31.576 31.823 0.463 0.000 0.662 930 V HN 0.553 nan 8.190 nan 0.000 0.455 931 F N 2.729 122.763 119.950 0.140 0.000 2.350 931 F HA 0.473 5.000 4.527 0.001 0.000 0.365 931 F C -2.336 173.483 175.800 0.031 0.000 1.122 931 F CA -3.463 54.547 58.000 0.017 0.000 1.139 931 F CB 0.672 39.596 39.000 -0.125 0.000 1.220 931 F HN 0.020 nan 8.300 nan 0.000 0.499 932 P HA 0.169 nan 4.420 nan 0.000 0.265 932 P C -0.985 176.211 177.300 -0.175 0.000 1.193 932 P CA 0.237 63.244 63.100 -0.156 0.000 0.765 932 P CB 0.953 32.509 31.700 -0.241 0.000 0.823 933 S N 0.399 116.085 115.700 -0.024 0.000 2.672 933 S HA 0.453 4.923 4.470 0.001 0.000 0.271 933 S C -0.767 173.852 174.600 0.031 0.000 1.171 933 S CA -1.000 57.186 58.200 -0.022 0.000 0.817 933 S CB 0.544 63.722 63.200 -0.037 0.000 1.150 933 S HN 0.300 nan 8.310 nan 0.000 0.478 934 E N 1.288 121.504 120.200 0.027 0.000 2.652 934 E HA 0.272 4.623 4.350 0.001 0.000 0.255 934 E C -0.222 176.451 176.600 0.122 0.000 0.952 934 E CA 0.935 57.378 56.400 0.071 0.000 0.947 934 E CB -0.521 29.237 29.700 0.097 0.000 0.912 934 E HN 0.755 nan 8.360 nan 0.000 0.489 935 N N 1.877 120.688 118.700 0.184 0.000 2.823 935 N HA 0.539 5.279 4.740 0.001 0.000 0.251 935 N C 0.206 175.790 175.510 0.123 0.000 1.392 935 N CA -0.549 52.658 53.050 0.261 0.000 0.864 935 N CB 1.149 39.815 38.487 0.298 0.000 1.481 935 N HN 0.633 nan 8.380 nan 0.000 0.508 936 G N -1.152 107.679 108.800 0.052 0.000 2.162 936 G HA2 -0.264 3.697 3.960 0.001 0.000 0.260 936 G HA3 -0.264 3.697 3.960 0.001 0.000 0.260 936 G C -0.286 174.355 174.900 -0.431 0.000 0.976 936 G CA 0.355 45.357 45.100 -0.163 0.000 0.655 936 G HN 0.688 nan 8.290 nan 0.000 0.533 937 L N 1.021 121.905 121.223 -0.565 0.000 2.485 937 L HA 0.536 4.876 4.340 0.001 0.000 0.275 937 L C 0.542 176.826 176.870 -0.976 0.000 1.207 937 L CA 0.212 54.491 54.840 -0.935 0.000 0.855 937 L CB 0.406 41.644 42.059 -1.367 0.000 1.114 937 L HN 0.217 nan 8.230 nan 0.000 0.485 938 R N 3.707 123.538 120.500 -1.116 0.000 2.534 938 R HA 0.462 4.803 4.340 0.001 0.000 0.301 938 R C -0.873 175.060 176.300 -0.611 0.000 0.961 938 R CA -0.553 55.013 56.100 -0.890 0.000 0.871 938 R CB 0.886 30.468 30.300 -1.197 0.000 1.170 938 R HN 0.623 nan 8.270 nan 0.000 0.446 939 C N -0.437 118.659 119.300 -0.340 0.000 2.354 939 C HA 0.654 5.114 4.460 0.001 0.000 0.381 939 C C 1.343 176.309 174.990 -0.039 0.000 1.240 939 C CA 0.181 59.088 59.018 -0.184 0.000 2.089 939 C CB 1.086 28.744 27.740 -0.137 0.000 2.234 939 C HN 1.032 nan 8.230 nan 0.000 0.544 940 G N 1.846 110.643 108.800 -0.005 0.000 2.356 940 G HA2 -0.183 3.778 3.960 0.001 0.000 0.296 940 G HA3 -0.183 3.778 3.960 0.001 0.000 0.296 940 G C -0.079 174.887 174.900 0.111 0.000 1.022 940 G CA 0.556 45.707 45.100 0.085 0.000 0.961 940 G HN 0.805 nan 8.290 nan 0.000 0.510 941 T N 0.059 114.552 114.554 -0.101 0.000 2.767 941 T HA 0.527 4.877 4.350 0.001 0.000 0.288 941 T C 1.296 175.689 174.700 -0.513 0.000 0.963 941 T CA -0.682 61.292 62.100 -0.210 0.000 1.019 941 T CB 1.434 70.192 68.868 -0.185 0.000 0.923 941 T HN 0.230 nan 8.240 nan 0.000 0.468 942 R N 1.531 121.936 120.500 -0.158 0.000 2.282 942 R HA 0.289 4.629 4.340 0.001 0.000 0.195 942 R C 0.503 176.821 176.300 0.031 0.000 0.909 942 R CA 0.187 56.263 56.100 -0.040 0.000 1.039 942 R CB 0.443 30.858 30.300 0.192 0.000 1.015 942 R HN 0.685 nan 8.270 nan 0.000 0.513 943 E N 0.573 120.792 120.200 0.031 0.000 2.321 943 E HA 0.319 4.670 4.350 0.001 0.000 0.281 943 E C -1.857 174.867 176.600 0.207 0.000 0.910 943 E CA -0.639 55.864 56.400 0.172 0.000 0.770 943 E CB 1.507 31.279 29.700 0.121 0.000 1.225 943 E HN -0.092 nan 8.360 nan 0.000 0.417 944 L N 4.033 125.449 121.223 0.321 0.000 2.386 944 L HA 0.605 4.945 4.340 0.001 0.000 0.271 944 L C -1.800 175.257 176.870 0.312 0.000 0.993 944 L CA -0.419 54.557 54.840 0.227 0.000 0.819 944 L CB 1.829 43.889 42.059 0.001 0.000 1.294 944 L HN 0.475 nan 8.230 nan 0.000 0.414 945 N N 4.439 123.295 118.700 0.260 0.000 2.399 945 N HA 0.367 5.107 4.740 0.001 0.000 0.284 945 N C -2.014 173.705 175.510 0.348 0.000 1.025 945 N CA -0.250 52.936 53.050 0.227 0.000 0.885 945 N CB 2.150 40.717 38.487 0.134 0.000 1.339 945 N HN 0.599 nan 8.380 nan 0.000 0.487 946 Y N 1.365 121.781 120.300 0.194 0.000 2.307 946 Y HA 0.394 4.944 4.550 0.001 0.000 0.323 946 Y C 0.778 176.762 175.900 0.140 0.000 1.100 946 Y CA 0.117 58.346 58.100 0.214 0.000 1.140 946 Y CB 0.621 39.291 38.460 0.350 0.000 1.159 946 Y HN 0.845 nan 8.280 nan 0.000 0.436 947 G N 6.438 115.047 108.800 -0.319 0.000 2.629 947 G HA2 -0.336 3.624 3.960 0.001 0.000 0.313 947 G HA3 -0.336 3.624 3.960 0.001 0.000 0.313 947 G C -1.452 173.314 174.900 -0.223 0.000 1.217 947 G CA 0.332 45.244 45.100 -0.313 0.000 0.994 947 G HN 0.594 nan 8.290 nan 0.000 0.549 948 P HA 0.143 nan 4.420 nan 0.000 0.245 948 P C 0.211 177.296 177.300 -0.357 0.000 1.206 948 P CA 0.821 63.714 63.100 -0.346 0.000 0.781 948 P CB 0.012 31.459 31.700 -0.423 0.000 0.994 949 H N 0.400 119.372 119.070 -0.163 0.000 2.487 949 H HA 0.436 4.992 4.556 0.001 0.000 0.333 949 H C -0.074 174.910 175.328 -0.573 0.000 1.114 949 H CA -0.068 55.722 56.048 -0.431 0.000 1.310 949 H CB 1.628 30.901 29.762 -0.815 0.000 1.462 949 H HN 0.102 nan 8.280 nan 0.000 0.516 950 Q N 2.807 122.295 119.800 -0.519 0.000 2.323 950 Q HA 0.240 4.581 4.340 0.001 0.000 0.271 950 Q C -1.476 174.185 176.000 -0.565 0.000 1.048 950 Q CA -0.754 54.824 55.803 -0.376 0.000 0.792 950 Q CB 1.962 30.644 28.738 -0.094 0.000 1.280 950 Q HN 0.576 nan 8.270 nan 0.000 0.441 951 W N 3.999 125.239 121.300 -0.100 0.000 2.587 951 W HA 0.560 5.220 4.660 0.001 0.000 0.324 951 W C -0.218 176.381 176.519 0.134 0.000 1.040 951 W CA -0.705 56.556 57.345 -0.141 0.000 1.222 951 W CB 1.760 30.936 29.460 -0.474 0.000 1.381 951 W HN 0.506 nan 8.180 nan 0.000 0.483 952 R N 0.912 121.637 120.500 0.376 0.000 2.686 952 R HA 0.775 5.116 4.340 0.001 0.000 0.286 952 R C 0.233 176.808 176.300 0.458 0.000 0.969 952 R CA -0.476 55.867 56.100 0.404 0.000 0.898 952 R CB 2.393 32.837 30.300 0.240 0.000 1.183 952 R HN 0.755 nan 8.270 nan 0.000 0.456 953 G N 0.835 109.909 108.800 0.457 0.000 2.591 953 G HA2 -0.016 3.945 3.960 0.001 0.000 0.104 953 G HA3 -0.016 3.945 3.960 0.001 0.000 0.104 953 G C -1.713 173.329 174.900 0.236 0.000 1.097 953 G CA -0.304 45.026 45.100 0.383 0.000 1.076 953 G HN 0.489 nan 8.290 nan 0.000 0.485 954 D N 0.106 120.653 120.400 0.245 0.000 2.527 954 D HA 0.565 5.205 4.640 0.001 0.000 0.242 954 D C -0.805 175.517 176.300 0.038 0.000 1.285 954 D CA -0.469 53.559 54.000 0.046 0.000 0.886 954 D CB 0.113 40.964 40.800 0.085 0.000 1.402 954 D HN 0.532 nan 8.370 nan 0.000 0.528 955 F N -0.243 119.701 119.950 -0.009 0.000 2.675 955 F HA 0.741 5.269 4.527 0.001 0.000 0.324 955 F C -0.839 174.914 175.800 -0.077 0.000 1.106 955 F CA -1.036 56.898 58.000 -0.111 0.000 0.970 955 F CB 0.850 39.778 39.000 -0.120 0.000 1.385 955 F HN -0.191 nan 8.300 nan 0.000 0.489 956 Q N 1.857 121.718 119.800 0.102 0.000 2.266 956 Q HA 0.602 4.942 4.340 0.001 0.000 0.261 956 Q C -1.232 174.825 176.000 0.095 0.000 0.985 956 Q CA -0.524 55.263 55.803 -0.027 0.000 0.873 956 Q CB 2.529 31.159 28.738 -0.180 0.000 1.306 956 Q HN 0.842 nan 8.270 nan 0.000 0.447 957 F N -0.730 119.098 119.950 -0.203 0.000 2.631 957 F HA 0.732 5.260 4.527 0.001 0.000 0.308 957 F C -1.402 174.177 175.800 -0.369 0.000 1.097 957 F CA -1.066 56.776 58.000 -0.263 0.000 0.952 957 F CB 1.623 40.504 39.000 -0.198 0.000 1.307 957 F HN 0.567 nan 8.300 nan 0.000 0.450 958 N N 2.304 120.843 118.700 -0.268 0.000 2.321 958 N HA 0.743 5.484 4.740 0.001 0.000 0.290 958 N C -2.088 173.370 175.510 -0.087 0.000 1.212 958 N CA -0.819 52.055 53.050 -0.294 0.000 0.767 958 N CB 2.640 40.958 38.487 -0.282 0.000 1.494 958 N HN 1.087 nan 8.380 nan 0.000 0.479 959 I N 0.409 120.920 120.570 -0.099 0.000 2.586 959 I HA 0.624 4.794 4.170 0.001 0.000 0.288 959 I C -1.420 174.625 176.117 -0.120 0.000 1.147 959 I CA 0.067 61.275 61.300 -0.153 0.000 1.047 959 I CB 1.166 39.004 38.000 -0.271 0.000 1.244 959 I HN 1.021 nan 8.210 nan 0.000 0.429 960 S N 6.240 121.882 115.700 -0.097 0.000 2.636 960 S HA 0.540 5.011 4.470 0.001 0.000 0.268 960 S C -0.158 174.354 174.600 -0.147 0.000 1.159 960 S CA -0.983 57.163 58.200 -0.090 0.000 0.815 960 S CB 1.854 65.072 63.200 0.029 0.000 1.130 960 S HN 0.602 nan 8.310 nan 0.000 0.471 961 R N -0.001 120.252 120.500 -0.412 0.000 2.335 961 R HA 0.244 4.584 4.340 0.001 0.000 0.223 961 R C -0.941 175.017 176.300 -0.571 0.000 0.940 961 R CA 0.286 56.092 56.100 -0.490 0.000 1.086 961 R CB -1.015 28.900 30.300 -0.642 0.000 1.073 961 R HN 0.665 nan 8.270 nan 0.000 0.504 962 Y N 0.008 120.288 120.300 -0.033 0.000 2.361 962 Y HA 0.205 4.755 4.550 0.001 0.000 0.337 962 Y C 0.621 176.340 175.900 -0.303 0.000 0.965 962 Y CA -1.155 56.844 58.100 -0.167 0.000 1.091 962 Y CB 1.435 39.731 38.460 -0.272 0.000 1.182 962 Y HN -0.092 nan 8.280 nan 0.000 0.450 963 S N 1.645 117.026 115.700 -0.532 0.000 2.593 963 S HA 0.035 4.506 4.470 0.001 0.000 0.269 963 S C 0.936 175.209 174.600 -0.546 0.000 1.334 963 S CA -0.721 56.797 58.200 -1.136 0.000 1.015 963 S CB 1.137 63.429 63.200 -1.513 0.000 0.912 963 S HN 0.727 nan 8.310 nan 0.000 0.541 964 Q N 0.844 120.342 119.800 -0.503 0.000 2.135 964 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 964 Q C 2.200 178.059 176.000 -0.235 0.000 0.981 964 Q CA 1.961 57.601 55.803 -0.272 0.000 0.856 964 Q CB -0.578 28.033 28.738 -0.212 0.000 0.902 964 Q HN 0.972 nan 8.270 nan 0.000 0.425 965 Q N 0.429 120.049 119.800 -0.299 0.000 2.050 965 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 965 Q C 2.134 178.022 176.000 -0.186 0.000 0.980 965 Q CA 1.474 57.155 55.803 -0.203 0.000 0.840 965 Q CB 0.033 28.655 28.738 -0.192 0.000 0.898 965 Q HN 0.398 nan 8.270 nan 0.000 0.424 966 Q N -0.057 119.607 119.800 -0.226 0.000 2.079 966 Q HA -0.145 4.196 4.340 0.001 0.000 0.200 966 Q C 2.211 178.085 176.000 -0.211 0.000 0.974 966 Q CA 1.077 56.760 55.803 -0.201 0.000 0.840 966 Q CB -0.017 28.582 28.738 -0.232 0.000 0.898 966 Q HN 0.466 nan 8.270 nan 0.000 0.430 967 L N 0.171 121.268 121.223 -0.210 0.000 2.042 967 L HA -0.223 4.117 4.340 0.001 0.000 0.210 967 L C 2.681 179.423 176.870 -0.212 0.000 1.076 967 L CA 1.335 56.053 54.840 -0.203 0.000 0.749 967 L CB -0.388 41.589 42.059 -0.136 0.000 0.893 967 L HN 0.383 nan 8.230 nan 0.000 0.432 968 M N -0.444 119.051 119.600 -0.175 0.000 2.254 968 M HA -0.171 4.310 4.480 0.001 0.000 0.265 968 M C 1.806 178.002 176.300 -0.173 0.000 1.066 968 M CA 1.698 56.901 55.300 -0.163 0.000 1.123 968 M CB 0.113 32.631 32.600 -0.137 0.000 1.388 968 M HN 0.159 nan 8.290 nan 0.000 0.425 969 E N -0.583 119.522 120.200 -0.158 0.000 2.400 969 E HA 0.041 4.391 4.350 0.001 0.000 0.195 969 E C -0.244 176.277 176.600 -0.132 0.000 1.012 969 E CA 0.301 56.629 56.400 -0.121 0.000 0.875 969 E CB 0.427 30.074 29.700 -0.088 0.000 0.859 969 E HN 0.369 nan 8.360 nan 0.000 0.498 970 T N 0.673 115.114 114.554 -0.188 0.000 2.767 970 T HA 0.078 4.429 4.350 0.001 0.000 0.288 970 T C 1.239 175.777 174.700 -0.269 0.000 0.963 970 T CA -0.333 61.651 62.100 -0.192 0.000 1.019 970 T CB 1.649 70.392 68.868 -0.209 0.000 0.923 970 T HN 0.055 nan 8.240 nan 0.000 0.468 971 S N 2.693 118.298 115.700 -0.158 0.000 2.371 971 S HA -0.044 4.427 4.470 0.001 0.000 0.224 971 S C 0.407 174.867 174.600 -0.233 0.000 1.029 971 S CA 0.630 58.743 58.200 -0.145 0.000 0.978 971 S CB -0.374 62.915 63.200 0.149 0.000 0.833 971 S HN 0.772 nan 8.310 nan 0.000 0.466 972 H N 0.394 119.409 119.070 -0.091 0.000 2.679 972 H HA 0.574 5.130 4.556 0.001 0.000 0.367 972 H C 1.137 176.417 175.328 -0.080 0.000 1.162 972 H CA -0.713 55.346 56.048 0.018 0.000 1.181 972 H CB 1.403 31.204 29.762 0.065 0.000 1.693 972 H HN 0.206 nan 8.280 nan 0.000 0.538 973 R N 1.245 121.845 120.500 0.166 0.000 2.120 973 R HA -0.152 4.188 4.340 0.001 0.000 0.234 973 R C 1.213 177.534 176.300 0.035 0.000 1.123 973 R CA 1.786 57.931 56.100 0.075 0.000 0.975 973 R CB -0.420 29.973 30.300 0.155 0.000 0.866 973 R HN 0.788 nan 8.270 nan 0.000 0.446 974 H N 0.960 120.034 119.070 0.006 0.000 2.559 974 H HA 0.065 4.622 4.556 0.001 0.000 0.273 974 H C 1.352 176.612 175.328 -0.114 0.000 1.000 974 H CA 0.625 56.641 56.048 -0.054 0.000 1.195 974 H CB 0.003 29.723 29.762 -0.071 0.000 1.368 974 H HN 0.313 nan 8.280 nan 0.000 0.592 975 L N 0.930 121.809 121.223 -0.573 0.000 2.607 975 L HA 0.223 4.563 4.340 0.001 0.000 0.228 975 L C 0.636 177.392 176.870 -0.189 0.000 1.123 975 L CA -0.152 54.421 54.840 -0.444 0.000 0.890 975 L CB 0.194 41.965 42.059 -0.480 0.000 1.103 975 L HN 0.060 nan 8.230 nan 0.000 0.468 976 L N 1.212 122.318 121.223 -0.195 0.000 2.426 976 L HA 0.116 4.456 4.340 0.001 0.000 0.271 976 L C 0.143 177.010 176.870 -0.005 0.000 1.169 976 L CA -0.028 54.679 54.840 -0.222 0.000 0.836 976 L CB 0.308 42.048 42.059 -0.532 0.000 1.112 976 L HN 0.203 nan 8.230 nan 0.000 0.465 977 H N 1.840 120.957 119.070 0.078 0.000 2.600 977 H HA 0.569 5.125 4.556 0.001 0.000 0.357 977 H C -0.727 174.727 175.328 0.210 0.000 1.106 977 H CA -1.274 54.851 56.048 0.129 0.000 1.193 977 H CB 1.318 31.104 29.762 0.040 0.000 1.594 977 H HN 0.659 nan 8.280 nan 0.000 0.526 978 A N 3.722 126.635 122.820 0.156 0.000 2.524 978 A HA 0.087 4.407 4.320 0.001 0.000 0.250 978 A C 0.367 177.967 177.584 0.027 0.000 1.078 978 A CA -0.167 51.801 52.037 -0.115 0.000 0.761 978 A CB -0.201 18.717 19.000 -0.136 0.000 1.012 978 A HN 0.823 nan 8.150 nan 0.000 0.500 979 E N 1.383 121.577 120.200 -0.010 0.000 2.314 979 E HA 0.181 4.532 4.350 0.001 0.000 0.262 979 E C -0.014 176.609 176.600 0.038 0.000 1.093 979 E CA -0.645 55.822 56.400 0.112 0.000 0.908 979 E CB 0.830 30.670 29.700 0.233 0.000 1.091 979 E HN 0.795 nan 8.360 nan 0.000 0.425 980 E N 0.461 120.684 120.200 0.038 0.000 2.414 980 E HA 0.139 4.489 4.350 0.001 0.000 0.263 980 E C 0.433 176.983 176.600 -0.083 0.000 1.000 980 E CA 0.688 57.077 56.400 -0.019 0.000 0.914 980 E CB 0.351 30.041 29.700 -0.017 0.000 0.948 980 E HN 0.682 nan 8.360 nan 0.000 0.444 981 G N 3.097 111.852 108.800 -0.075 0.000 2.569 981 G HA2 -0.247 3.713 3.960 0.001 0.000 0.259 981 G HA3 -0.247 3.713 3.960 0.001 0.000 0.259 981 G C -0.577 174.261 174.900 -0.103 0.000 1.263 981 G CA -0.029 45.017 45.100 -0.091 0.000 0.928 981 G HN 0.623 nan 8.290 nan 0.000 0.572 982 T N 0.124 114.597 114.554 -0.135 0.000 2.937 982 T HA 0.473 4.823 4.350 0.001 0.000 0.297 982 T C -0.765 173.794 174.700 -0.235 0.000 0.991 982 T CA -0.193 61.835 62.100 -0.119 0.000 0.990 982 T CB 1.308 70.180 68.868 0.006 0.000 0.991 982 T HN 0.566 nan 8.240 nan 0.000 0.440 983 W N 3.542 124.752 121.300 -0.151 0.000 2.388 983 W HA 0.530 5.190 4.660 0.000 0.000 0.308 983 W C -0.098 176.289 176.519 -0.219 0.000 1.263 983 W CA -0.651 56.601 57.345 -0.156 0.000 1.286 983 W CB 0.498 29.879 29.460 -0.131 0.000 1.294 983 W HN 0.394 nan 8.180 nan 0.000 0.493 984 L N 5.889 127.092 121.223 -0.032 0.000 2.313 984 L HA 0.490 4.830 4.340 0.001 0.000 0.283 984 L C -0.786 175.978 176.870 -0.175 0.000 1.013 984 L CA -0.338 54.365 54.840 -0.229 0.000 0.816 984 L CB 0.721 42.489 42.059 -0.485 0.000 1.236 984 L HN 0.293 nan 8.230 nan 0.000 0.419 985 N N 6.907 125.492 118.700 -0.193 0.000 2.479 985 N HA 0.443 5.183 4.740 0.001 0.000 0.261 985 N C -1.165 174.197 175.510 -0.247 0.000 0.979 985 N CA -0.153 52.783 53.050 -0.190 0.000 0.930 985 N CB 1.977 40.383 38.487 -0.135 0.000 1.172 985 N HN 0.568 nan 8.380 nan 0.000 0.499 986 I N 1.876 122.250 120.570 -0.327 0.000 2.354 986 I HA 0.209 4.379 4.170 0.001 0.000 0.286 986 I C -0.571 175.350 176.117 -0.327 0.000 1.007 986 I CA -0.655 60.421 61.300 -0.373 0.000 1.167 986 I CB 1.272 38.865 38.000 -0.679 0.000 1.320 986 I HN 0.134 nan 8.210 nan 0.000 0.458 987 D N 4.962 125.202 120.400 -0.267 0.000 2.217 987 D HA 0.235 4.876 4.640 0.001 0.000 0.243 987 D C 0.999 176.981 176.300 -0.530 0.000 1.054 987 D CA -0.255 53.524 54.000 -0.369 0.000 0.838 987 D CB 2.368 43.062 40.800 -0.177 0.000 1.162 987 D HN 0.677 nan 8.370 nan 0.000 0.472 988 G N 1.380 109.521 108.800 -1.098 0.000 2.408 988 G HA2 -0.068 3.892 3.960 0.001 0.000 0.217 988 G HA3 -0.068 3.892 3.960 0.001 0.000 0.217 988 G C 0.119 174.321 174.900 -1.162 0.000 1.150 988 G CA 0.667 45.011 45.100 -1.261 0.000 0.776 988 G HN 0.400 nan 8.290 nan 0.000 0.542 989 F N -2.227 117.536 119.950 -0.311 0.000 2.591 989 F HA 0.588 5.116 4.527 0.001 0.000 0.309 989 F C -0.566 175.148 175.800 -0.144 0.000 1.098 989 F CA -1.152 56.749 58.000 -0.165 0.000 0.937 989 F CB 2.116 40.974 39.000 -0.236 0.000 1.250 989 F HN 0.027 nan 8.300 nan 0.000 0.447 990 H N 2.101 121.189 119.070 0.030 0.000 2.771 990 H HA 0.530 5.087 4.556 0.001 0.000 0.361 990 H C -0.785 174.570 175.328 0.045 0.000 1.108 990 H CA -0.872 55.165 56.048 -0.019 0.000 1.201 990 H CB 1.856 31.595 29.762 -0.038 0.000 1.681 990 H HN 0.781 nan 8.280 nan 0.000 0.534 991 M N 3.453 122.969 119.600 -0.140 0.000 2.240 991 M HA 0.301 4.782 4.480 0.001 0.000 0.333 991 M C 0.411 176.790 176.300 0.131 0.000 1.110 991 M CA 0.252 55.540 55.300 -0.020 0.000 1.173 991 M CB 0.395 32.888 32.600 -0.178 0.000 1.458 991 M HN 0.830 nan 8.290 nan 0.000 0.458 992 G N 2.798 111.671 108.800 0.122 0.000 2.664 992 G HA2 0.278 4.238 3.960 0.001 0.000 0.242 992 G HA3 0.278 4.238 3.960 0.001 0.000 0.242 992 G C 0.582 175.449 174.900 -0.055 0.000 1.225 992 G CA -0.336 44.779 45.100 0.025 0.000 0.849 992 G HN 0.982 nan 8.290 nan 0.000 0.581 993 I N -1.245 119.246 120.570 -0.130 0.000 3.462 993 I HA 0.403 4.573 4.170 0.001 0.000 0.290 993 I C 1.278 177.315 176.117 -0.133 0.000 1.236 993 I CA 0.444 61.629 61.300 -0.193 0.000 1.418 993 I CB -0.544 37.240 38.000 -0.360 0.000 1.102 993 I HN 0.927 nan 8.210 nan 0.000 0.441 994 G N 1.557 110.305 108.800 -0.086 0.000 2.641 994 G HA2 0.016 3.977 3.960 0.001 0.000 0.254 994 G HA3 0.016 3.977 3.960 0.001 0.000 0.254 994 G C 0.586 175.470 174.900 -0.026 0.000 1.315 994 G CA 0.182 45.268 45.100 -0.022 0.000 0.907 994 G HN 1.417 nan 8.290 nan 0.000 0.572 995 G N -2.416 106.383 108.800 -0.003 0.000 2.559 995 G HA2 0.043 4.003 3.960 0.001 0.000 0.202 995 G HA3 0.043 4.003 3.960 0.001 0.000 0.202 995 G C 0.615 175.551 174.900 0.061 0.000 0.992 995 G CA 0.912 46.013 45.100 0.001 0.000 0.764 995 G HN 0.936 nan 8.290 nan 0.000 0.525 996 D N 1.243 121.703 120.400 0.099 0.000 2.172 996 D HA 0.066 4.706 4.640 0.001 0.000 0.196 996 D C 1.136 177.457 176.300 0.036 0.000 0.999 996 D CA 2.168 56.285 54.000 0.195 0.000 0.856 996 D CB 0.138 41.061 40.800 0.204 0.000 0.934 996 D HN 0.802 nan 8.370 nan 0.000 0.453 997 D N -3.284 116.926 120.400 -0.316 0.000 2.664 997 D HA 0.397 5.038 4.640 0.001 0.000 0.292 997 D C -0.782 175.002 176.300 -0.860 0.000 1.214 997 D CA -0.741 52.663 54.000 -0.994 0.000 0.932 997 D CB 0.987 40.691 40.800 -1.826 0.000 1.420 997 D HN -0.297 nan 8.370 nan 0.000 0.471 998 S N -0.815 114.197 115.700 -1.147 0.000 2.711 998 S HA 0.246 4.717 4.470 0.001 0.000 0.247 998 S C -0.705 173.905 174.600 0.017 0.000 1.079 998 S CA -0.701 57.282 58.200 -0.362 0.000 1.050 998 S CB -0.479 62.679 63.200 -0.070 0.000 0.885 998 S HN 0.623 nan 8.310 nan 0.000 0.498 999 W N 0.720 121.971 121.300 -0.081 0.000 2.324 999 W HA 0.510 5.170 4.660 0.001 0.000 0.316 999 W C 0.045 176.526 176.519 -0.063 0.000 0.927 999 W CA -0.379 56.931 57.345 -0.059 0.000 1.438 999 W CB -0.439 28.923 29.460 -0.163 0.000 1.085 999 W HN 0.195 nan 8.180 nan 0.000 0.532 1000 S N -0.767 114.824 115.700 -0.181 0.000 2.556 1000 S HA 0.643 5.113 4.470 0.001 0.000 0.271 1000 S C -3.059 171.474 174.600 -0.111 0.000 1.135 1000 S CA -1.700 56.438 58.200 -0.103 0.000 0.858 1000 S CB 1.715 64.881 63.200 -0.058 0.000 1.114 1000 S HN -0.227 nan 8.310 nan 0.000 0.468 1001 P HA 0.148 nan 4.420 nan 0.000 0.261 1001 P C 0.377 177.710 177.300 0.055 0.000 1.183 1001 P CA 0.121 63.225 63.100 0.008 0.000 0.761 1001 P CB 0.563 32.161 31.700 -0.169 0.000 0.785 1002 S N 0.470 116.242 115.700 0.119 0.000 2.787 1002 S HA 0.122 4.593 4.470 0.001 0.000 0.255 1002 S C 0.180 174.858 174.600 0.132 0.000 1.051 1002 S CA -0.312 57.933 58.200 0.077 0.000 1.124 1002 S CB -0.268 62.926 63.200 -0.010 0.000 1.104 1002 S HN 0.114 nan 8.310 nan 0.000 0.623 1003 V N 3.032 123.068 119.914 0.204 0.000 2.439 1003 V HA 0.357 4.477 4.120 0.001 0.000 0.271 1003 V C 0.833 177.079 176.094 0.252 0.000 1.040 1003 V CA -0.169 62.244 62.300 0.188 0.000 1.002 1003 V CB 0.763 32.643 31.823 0.094 0.000 1.000 1003 V HN 0.518 nan 8.190 nan 0.000 0.477 1004 S N 4.076 119.936 115.700 0.268 0.000 2.579 1004 S HA 0.334 4.804 4.470 0.001 0.000 0.275 1004 S C 1.540 176.277 174.600 0.228 0.000 1.345 1004 S CA 0.057 58.405 58.200 0.246 0.000 1.031 1004 S CB 1.198 64.562 63.200 0.273 0.000 0.892 1004 S HN 0.975 nan 8.310 nan 0.000 0.529 1005 A N 3.082 125.990 122.820 0.148 0.000 1.940 1005 A HA -0.133 4.188 4.320 0.001 0.000 0.219 1005 A C 2.004 179.609 177.584 0.035 0.000 1.176 1005 A CA 1.789 53.897 52.037 0.118 0.000 0.631 1005 A CB -0.635 18.415 19.000 0.083 0.000 0.814 1005 A HN 0.947 nan 8.150 nan 0.000 0.446 1006 E N -0.869 119.286 120.200 -0.076 0.000 2.418 1006 E HA -0.108 4.243 4.350 0.001 0.000 0.197 1006 E C 0.700 177.043 176.600 -0.429 0.000 1.026 1006 E CA 0.703 56.934 56.400 -0.282 0.000 0.862 1006 E CB -0.413 29.033 29.700 -0.424 0.000 0.799 1006 E HN 0.684 nan 8.360 nan 0.000 0.518 1007 F N 1.174 121.170 119.950 0.077 0.000 2.653 1007 F HA 0.277 4.805 4.527 0.001 0.000 0.304 1007 F C 0.816 176.645 175.800 0.048 0.000 1.092 1007 F CA -0.527 57.518 58.000 0.074 0.000 1.279 1007 F CB 0.560 39.605 39.000 0.075 0.000 1.044 1007 F HN -0.199 nan 8.300 nan 0.000 0.564 1008 Q N 1.271 121.168 119.800 0.162 0.000 2.230 1008 Q HA 0.410 4.750 4.340 0.001 0.000 0.253 1008 Q C -0.225 175.793 176.000 0.031 0.000 0.919 1008 Q CA -0.556 55.314 55.803 0.112 0.000 0.908 1008 Q CB 2.045 30.930 28.738 0.245 0.000 1.245 1008 Q HN 0.262 nan 8.270 nan 0.000 0.437 1009 L N 2.496 123.724 121.223 0.009 0.000 2.399 1009 L HA 0.097 4.438 4.340 0.001 0.000 0.257 1009 L C 0.597 177.433 176.870 -0.057 0.000 1.236 1009 L CA -0.013 54.821 54.840 -0.009 0.000 1.144 1009 L CB -0.371 41.592 42.059 -0.160 0.000 1.379 1009 L HN 0.702 nan 8.230 nan 0.000 0.414 1010 S N -1.228 114.360 115.700 -0.187 0.000 2.629 1010 S HA 0.160 4.631 4.470 0.001 0.000 0.236 1010 S C 1.635 176.166 174.600 -0.116 0.000 1.010 1010 S CA 0.176 58.100 58.200 -0.460 0.000 0.981 1010 S CB 0.790 63.556 63.200 -0.723 0.000 0.919 1010 S HN 0.495 nan 8.310 nan 0.000 0.514 1011 A N 1.653 124.432 122.820 -0.067 0.000 2.067 1011 A HA 0.433 4.754 4.320 0.001 0.000 0.219 1011 A C 2.128 179.578 177.584 -0.223 0.000 1.158 1011 A CA 1.420 53.288 52.037 -0.282 0.000 0.661 1011 A CB -1.260 17.310 19.000 -0.718 0.000 0.801 1011 A HN 1.497 nan 8.150 nan 0.000 0.452 1012 G N -1.439 107.334 108.800 -0.046 0.000 2.579 1012 G HA2 -0.285 3.675 3.960 0.001 0.000 0.222 1012 G HA3 -0.285 3.675 3.960 0.001 0.000 0.222 1012 G C 0.452 175.374 174.900 0.037 0.000 1.201 1012 G CA 0.377 45.502 45.100 0.041 0.000 0.710 1012 G HN 0.691 nan 8.290 nan 0.000 0.516 1013 R N -0.403 120.006 120.500 -0.152 0.000 2.561 1013 R HA 0.687 5.027 4.340 0.001 0.000 0.297 1013 R C -1.538 174.569 176.300 -0.322 0.000 0.969 1013 R CA -0.585 55.464 56.100 -0.085 0.000 0.879 1013 R CB 1.530 31.805 30.300 -0.041 0.000 1.178 1013 R HN 0.256 nan 8.270 nan 0.000 0.445 1014 Y N 0.336 120.648 120.300 0.020 0.000 2.477 1014 Y HA 0.336 4.886 4.550 0.001 0.000 0.347 1014 Y C -0.442 175.625 175.900 0.280 0.000 0.981 1014 Y CA -0.825 57.276 58.100 0.000 0.000 1.033 1014 Y CB 2.183 40.533 38.460 -0.184 0.000 1.245 1014 Y HN 0.583 nan 8.280 nan 0.000 0.455 1015 H N 2.949 122.312 119.070 0.489 0.000 2.667 1015 H HA 0.593 5.150 4.556 0.001 0.000 0.353 1015 H C -1.745 173.956 175.328 0.622 0.000 1.072 1015 H CA -0.851 55.449 56.048 0.420 0.000 1.214 1015 H CB 1.083 30.985 29.762 0.233 0.000 1.600 1015 H HN 0.582 nan 8.280 nan 0.000 0.527 1016 Y N 1.736 121.888 120.300 -0.248 0.000 2.597 1016 Y HA 0.466 5.017 4.550 0.001 0.000 0.340 1016 Y C -1.892 173.792 175.900 -0.359 0.000 1.097 1016 Y CA -1.157 56.811 58.100 -0.221 0.000 1.037 1016 Y CB 1.462 39.864 38.460 -0.097 0.000 1.305 1016 Y HN 0.720 nan 8.280 nan 0.000 0.463 1017 Q N 2.894 122.672 119.800 -0.036 0.000 2.331 1017 Q HA 0.786 5.126 4.340 0.001 0.000 0.272 1017 Q C -2.068 174.009 176.000 0.129 0.000 1.062 1017 Q CA -1.012 54.770 55.803 -0.034 0.000 0.806 1017 Q CB 3.155 31.913 28.738 0.034 0.000 1.312 1017 Q HN 0.830 nan 8.270 nan 0.000 0.431 1018 L N 1.142 122.426 121.223 0.103 0.000 2.354 1018 L HA 0.774 5.115 4.340 0.001 0.000 0.264 1018 L C -0.827 176.150 176.870 0.179 0.000 1.008 1018 L CA -1.386 53.549 54.840 0.158 0.000 0.819 1018 L CB 2.477 44.599 42.059 0.104 0.000 1.339 1018 L HN 0.453 nan 8.230 nan 0.000 0.420 1019 V N 0.531 120.575 119.914 0.217 0.000 2.448 1019 V HA 0.382 4.502 4.120 0.001 0.000 0.295 1019 V C -1.224 175.038 176.094 0.280 0.000 1.025 1019 V CA -0.418 62.018 62.300 0.226 0.000 0.859 1019 V CB 2.013 33.944 31.823 0.179 0.000 0.988 1019 V HN 0.597 nan 8.190 nan 0.000 0.431 1020 W N 6.934 128.299 121.300 0.108 0.000 2.417 1020 W HA 0.712 5.372 4.660 0.001 0.000 0.315 1020 W C -0.274 176.265 176.519 0.033 0.000 1.045 1020 W CA -1.113 56.240 57.345 0.014 0.000 1.221 1020 W CB 1.445 30.975 29.460 0.117 0.000 1.309 1020 W HN 0.867 nan 8.180 nan 0.000 0.453 1021 C N 3.443 122.986 119.300 0.404 0.000 3.323 1021 C HA 0.627 5.088 4.460 0.001 0.000 0.324 1021 C C -0.352 174.760 174.990 0.204 0.000 1.428 1021 C CA -0.948 58.243 59.018 0.288 0.000 1.368 1021 C CB 1.516 29.361 27.740 0.175 0.000 1.731 1021 C HN 0.697 nan 8.230 nan 0.000 0.455 1022 Q N 1.439 121.318 119.800 0.131 0.000 2.293 1022 Q HA 0.369 4.710 4.340 0.001 0.000 0.251 1022 Q C -0.117 175.884 176.000 0.003 0.000 0.930 1022 Q CA -0.043 55.779 55.803 0.032 0.000 0.893 1022 Q CB 0.926 29.666 28.738 0.003 0.000 1.215 1022 Q HN 0.747 nan 8.270 nan 0.000 0.425 1023 K N 0.000 120.373 120.400 -0.044 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1023 K CA 0.000 56.266 56.287 -0.034 0.000 0.838 1023 K CB 0.000 32.470 32.500 -0.051 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543