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 1jyx_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.113 176.300 -0.311 0.000 0.893 13 R CA 0.000 55.979 56.100 -0.202 0.000 0.921 13 R CB 0.000 30.183 30.300 -0.194 0.000 0.687 14 R N 1.685 121.901 120.500 -0.474 0.000 2.937 14 R HA 0.207 4.554 4.340 0.013 0.000 0.264 14 R C 0.299 176.081 176.300 -0.863 0.000 1.334 14 R CA -0.470 54.995 56.100 -1.059 0.000 1.516 14 R CB 0.616 30.302 30.300 -1.022 0.000 1.187 14 R HN 0.375 nan 8.270 nan 0.000 0.609 15 D N 1.113 121.185 120.400 -0.546 0.000 2.265 15 D HA -0.196 4.451 4.640 0.013 0.000 0.208 15 D C 1.249 177.459 176.300 -0.150 0.000 0.977 15 D CA 1.186 54.953 54.000 -0.388 0.000 0.871 15 D CB 0.164 40.562 40.800 -0.670 0.000 0.925 15 D HN 0.652 nan 8.370 nan 0.000 0.485 16 W N 1.182 122.501 121.300 0.032 0.000 3.292 16 W HA 0.231 4.899 4.660 0.013 0.000 0.263 16 W C 0.633 177.238 176.519 0.143 0.000 1.318 16 W CA -0.306 57.156 57.345 0.194 0.000 1.663 16 W CB -0.243 29.380 29.460 0.272 0.000 1.114 16 W HN -0.196 nan 8.180 nan 0.000 0.706 17 E N 0.984 121.031 120.200 -0.255 0.000 2.789 17 E HA 0.038 4.396 4.350 0.013 0.000 0.208 17 E C -0.639 175.798 176.600 -0.271 0.000 0.988 17 E CA -0.214 56.060 56.400 -0.211 0.000 1.092 17 E CB -0.127 29.433 29.700 -0.233 0.000 1.066 17 E HN 0.031 nan 8.360 nan 0.000 0.465 18 N N 0.769 119.349 118.700 -0.201 0.000 2.533 18 N HA 0.162 4.909 4.740 0.013 0.000 0.289 18 N C -2.416 172.950 175.510 -0.240 0.000 1.103 18 N CA -2.070 50.827 53.050 -0.255 0.000 0.877 18 N CB 1.592 39.939 38.487 -0.232 0.000 1.419 18 N HN -0.226 nan 8.380 nan 0.000 0.517 19 P HA 0.099 nan 4.420 nan 0.000 0.230 19 P C 1.073 178.138 177.300 -0.392 0.000 1.158 19 P CA 0.623 63.399 63.100 -0.539 0.000 0.769 19 P CB 0.171 31.084 31.700 -1.311 0.000 0.807 20 G N -0.538 108.068 108.800 -0.324 0.000 2.712 20 G HA2 0.044 4.012 3.960 0.013 0.000 0.212 20 G HA3 0.044 4.012 3.960 0.013 0.000 0.212 20 G C 0.252 175.070 174.900 -0.138 0.000 1.142 20 G CA 0.200 45.164 45.100 -0.226 0.000 0.789 20 G HN 0.200 nan 8.290 nan 0.000 0.535 21 V N 1.676 121.524 119.914 -0.110 0.000 2.304 21 V HA 0.295 4.423 4.120 0.013 0.000 0.278 21 V C 0.868 177.008 176.094 0.078 0.000 1.018 21 V CA 0.132 62.415 62.300 -0.028 0.000 0.814 21 V CB 1.104 32.888 31.823 -0.065 0.000 1.021 21 V HN 0.318 nan 8.190 nan 0.000 0.440 22 T N 0.586 115.191 114.554 0.085 0.000 3.023 22 T HA 0.367 4.724 4.350 0.013 0.000 0.253 22 T C 0.285 175.056 174.700 0.117 0.000 1.038 22 T CA 0.169 62.334 62.100 0.108 0.000 0.962 22 T CB 0.341 69.226 68.868 0.028 0.000 1.018 22 T HN 0.694 nan 8.240 nan 0.000 0.521 23 Q N 0.248 120.158 119.800 0.183 0.000 2.776 23 Q HA 0.666 5.013 4.340 0.013 0.000 0.289 23 Q C -2.328 173.815 176.000 0.238 0.000 0.912 23 Q CA -1.058 54.854 55.803 0.181 0.000 0.789 23 Q CB 0.726 29.479 28.738 0.024 0.000 1.498 23 Q HN 0.228 nan 8.270 nan 0.000 0.408 24 L N 1.507 122.895 121.223 0.275 0.000 2.470 24 L HA 0.615 4.963 4.340 0.013 0.000 0.268 24 L C -0.621 176.376 176.870 0.211 0.000 0.964 24 L CA -0.935 54.057 54.840 0.254 0.000 0.839 24 L CB 1.980 44.280 42.059 0.402 0.000 1.276 24 L HN 0.831 nan 8.230 nan 0.000 0.403 25 N N 0.927 119.719 118.700 0.153 0.000 2.708 25 N HA -0.216 4.532 4.740 0.013 0.000 0.251 25 N C 0.147 175.753 175.510 0.160 0.000 1.123 25 N CA 0.856 53.989 53.050 0.139 0.000 0.739 25 N CB -0.790 37.742 38.487 0.074 0.000 1.113 25 N HN 0.680 nan 8.380 nan 0.000 0.561 26 R N 0.843 121.357 120.500 0.024 0.000 2.441 26 R HA 0.402 4.750 4.340 0.013 0.000 0.284 26 R C 0.487 176.662 176.300 -0.207 0.000 1.070 26 R CA -0.400 55.496 56.100 -0.341 0.000 1.047 26 R CB 0.569 30.636 30.300 -0.388 0.000 1.016 26 R HN 0.126 nan 8.270 nan 0.000 0.477 27 L N 2.928 124.006 121.223 -0.243 0.000 2.466 27 L HA 0.320 4.668 4.340 0.013 0.000 0.257 27 L C 0.694 177.519 176.870 -0.075 0.000 1.189 27 L CA -0.602 54.180 54.840 -0.095 0.000 0.813 27 L CB 0.819 42.850 42.059 -0.047 0.000 1.118 27 L HN 0.786 nan 8.230 nan 0.000 0.471 28 A N 1.286 124.099 122.820 -0.012 0.000 2.466 28 A HA 0.480 4.808 4.320 0.013 0.000 0.238 28 A C 0.301 177.898 177.584 0.021 0.000 1.074 28 A CA 0.087 52.124 52.037 0.000 0.000 0.774 28 A CB 0.148 19.172 19.000 0.040 0.000 1.015 28 A HN 0.801 nan 8.150 nan 0.000 0.498 29 A N 1.049 123.837 122.820 -0.052 0.000 2.287 29 A HA 0.719 5.046 4.320 0.013 0.000 0.273 29 A C 0.084 177.586 177.584 -0.136 0.000 1.091 29 A CA 0.437 52.369 52.037 -0.174 0.000 0.817 29 A CB 0.035 18.917 19.000 -0.198 0.000 1.069 29 A HN 1.909 nan 8.150 nan 0.000 0.492 30 H N -2.680 116.234 119.070 -0.260 0.000 2.917 30 H HA 0.627 5.191 4.556 0.013 0.000 0.299 30 H C -3.394 171.657 175.328 -0.462 0.000 1.418 30 H CA -1.743 54.088 56.048 -0.362 0.000 1.138 30 H CB 0.093 29.533 29.762 -0.537 0.000 1.830 30 H HN 0.387 nan 8.280 nan 0.000 0.514 31 P HA 0.234 nan 4.420 nan 0.000 0.274 31 P C -2.614 174.539 177.300 -0.246 0.000 1.246 31 P CA -1.534 61.363 63.100 -0.339 0.000 0.795 31 P CB -0.235 31.192 31.700 -0.455 0.000 1.006 32 P HA 0.040 nan 4.420 nan 0.000 0.261 32 P C -0.767 176.741 177.300 0.346 0.000 1.183 32 P CA 1.108 64.254 63.100 0.078 0.000 0.761 32 P CB -0.125 31.651 31.700 0.127 0.000 0.785 33 F N 1.303 121.355 119.950 0.170 0.000 2.575 33 F HA 0.618 5.153 4.527 0.013 0.000 0.330 33 F C 0.963 176.699 175.800 -0.107 0.000 1.056 33 F CA -1.050 56.999 58.000 0.080 0.000 0.964 33 F CB 2.225 41.237 39.000 0.020 0.000 1.258 33 F HN 0.221 nan 8.300 nan 0.000 0.484 34 A N 0.240 122.981 122.820 -0.132 0.000 2.710 34 A HA 0.245 4.573 4.320 0.013 0.000 0.212 34 A C 0.501 177.756 177.584 -0.549 0.000 1.358 34 A CA 0.465 52.185 52.037 -0.529 0.000 1.048 34 A CB -0.112 18.119 19.000 -1.281 0.000 1.345 34 A HN 0.759 nan 8.150 nan 0.000 0.583 35 S N 0.445 115.936 115.700 -0.347 0.000 3.550 35 S HA -0.145 4.333 4.470 0.013 0.000 0.372 35 S C -0.016 174.480 174.600 -0.174 0.000 0.966 35 S CA 0.518 58.571 58.200 -0.244 0.000 1.229 35 S CB -1.592 61.475 63.200 -0.221 0.000 0.917 35 S HN 0.489 nan 8.310 nan 0.000 0.496 36 W N 1.807 123.078 121.300 -0.047 0.000 2.158 36 W HA 0.253 4.920 4.660 0.013 0.000 0.339 36 W C 1.376 177.867 176.519 -0.047 0.000 1.294 36 W CA -0.606 56.718 57.345 -0.036 0.000 1.231 36 W CB 0.263 29.703 29.460 -0.032 0.000 1.143 36 W HN 0.339 nan 8.180 nan 0.000 0.571 37 R N 1.869 122.494 120.500 0.208 0.000 2.509 37 R HA 0.087 4.435 4.340 0.013 0.000 0.300 37 R C -0.022 176.331 176.300 0.088 0.000 0.985 37 R CA -0.075 56.088 56.100 0.104 0.000 1.092 37 R CB -0.054 30.274 30.300 0.048 0.000 1.237 37 R HN 0.387 nan 8.270 nan 0.000 0.546 38 N N 0.081 118.845 118.700 0.107 0.000 2.503 38 N HA 0.086 4.834 4.740 0.013 0.000 0.287 38 N C -0.168 175.314 175.510 -0.047 0.000 1.096 38 N CA 0.001 53.066 53.050 0.024 0.000 0.936 38 N CB 1.863 40.364 38.487 0.024 0.000 1.570 38 N HN -0.270 nan 8.380 nan 0.000 0.504 39 S N 2.308 117.959 115.700 -0.082 0.000 2.383 39 S HA -0.190 4.288 4.470 0.013 0.000 0.229 39 S C 1.412 175.843 174.600 -0.283 0.000 1.030 39 S CA 1.468 59.576 58.200 -0.153 0.000 1.002 39 S CB -0.054 63.086 63.200 -0.100 0.000 0.829 39 S HN 0.765 nan 8.310 nan 0.000 0.467 40 E N 1.394 121.448 120.200 -0.244 0.000 2.110 40 E HA -0.148 4.210 4.350 0.013 0.000 0.193 40 E C 1.904 178.286 176.600 -0.363 0.000 0.988 40 E CA 1.148 57.365 56.400 -0.304 0.000 0.804 40 E CB -0.116 29.460 29.700 -0.207 0.000 0.745 40 E HN 0.293 nan 8.360 nan 0.000 0.458 41 E N 0.034 120.031 120.200 -0.339 0.000 2.106 41 E HA -0.118 4.240 4.350 0.013 0.000 0.192 41 E C 1.964 177.974 176.600 -0.982 0.000 0.984 41 E CA 1.066 57.209 56.400 -0.429 0.000 0.806 41 E CB -0.415 29.184 29.700 -0.169 0.000 0.750 41 E HN 0.391 nan 8.360 nan 0.000 0.458 42 A N 1.441 123.512 122.820 -1.248 0.000 1.898 42 A HA -0.167 4.160 4.320 0.013 0.000 0.216 42 A C 2.236 179.234 177.584 -0.976 0.000 1.181 42 A CA 1.520 52.489 52.037 -1.779 0.000 0.620 42 A CB -0.471 17.967 19.000 -0.937 0.000 0.819 42 A HN 0.124 nan 8.150 nan 0.000 0.442 43 R N -0.165 119.933 120.500 -0.671 0.000 2.091 43 R HA -0.152 4.195 4.340 0.013 0.000 0.238 43 R C 2.141 178.174 176.300 -0.445 0.000 1.136 43 R CA 2.195 57.953 56.100 -0.571 0.000 0.959 43 R CB -0.518 29.311 30.300 -0.785 0.000 0.856 43 R HN 0.654 nan 8.270 nan 0.000 0.437 44 T N -2.660 111.638 114.554 -0.426 0.000 3.118 44 T HA -0.020 4.338 4.350 0.013 0.000 0.260 44 T C 0.499 175.082 174.700 -0.194 0.000 1.139 44 T CA 0.807 62.746 62.100 -0.268 0.000 1.085 44 T CB -0.021 68.722 68.868 -0.209 0.000 0.934 44 T HN 0.397 nan 8.240 nan 0.000 0.518 45 D N 0.325 120.551 120.400 -0.290 0.000 3.041 45 D HA -0.155 4.493 4.640 0.013 0.000 0.220 45 D C 0.226 176.600 176.300 0.123 0.000 1.157 45 D CA 0.478 54.448 54.000 -0.051 0.000 0.876 45 D CB -1.126 39.710 40.800 0.061 0.000 1.107 45 D HN 0.569 nan 8.370 nan 0.000 0.422 46 R N -0.066 120.466 120.500 0.053 0.000 2.652 46 R HA 0.455 4.802 4.340 0.013 0.000 0.271 46 R C -2.088 174.457 176.300 0.408 0.000 1.129 46 R CA -1.177 55.027 56.100 0.174 0.000 1.200 46 R CB 0.084 30.435 30.300 0.084 0.000 1.146 46 R HN 0.046 nan 8.270 nan 0.000 0.581 47 P HA -0.033 nan 4.420 nan 0.000 0.268 47 P C -0.913 176.572 177.300 0.308 0.000 1.208 47 P CA 0.235 63.491 63.100 0.259 0.000 0.777 47 P CB 0.723 32.517 31.700 0.156 0.000 0.875 48 S N 1.094 116.850 115.700 0.093 0.000 2.473 48 S HA 0.142 4.620 4.470 0.013 0.000 0.307 48 S C 0.844 175.449 174.600 0.009 0.000 1.094 48 S CA -0.529 57.637 58.200 -0.057 0.000 1.070 48 S CB 0.469 63.318 63.200 -0.585 0.000 1.019 48 S HN 0.187 nan 8.310 nan 0.000 0.480 49 Q N 2.686 122.526 119.800 0.066 0.000 2.437 49 Q HA -0.023 4.325 4.340 0.013 0.000 0.210 49 Q C 0.829 176.912 176.000 0.138 0.000 0.972 49 Q CA 1.116 56.986 55.803 0.112 0.000 0.903 49 Q CB -0.144 28.660 28.738 0.111 0.000 0.967 49 Q HN 0.672 nan 8.270 nan 0.000 0.486 50 Q N -0.524 119.272 119.800 -0.008 0.000 2.360 50 Q HA 0.160 4.508 4.340 0.013 0.000 0.202 50 Q C -0.376 175.612 176.000 -0.020 0.000 0.915 50 Q CA 0.087 55.823 55.803 -0.111 0.000 0.943 50 Q CB 0.485 29.086 28.738 -0.228 0.000 1.064 50 Q HN 0.031 nan 8.270 nan 0.000 0.511 51 L N 0.850 122.109 121.223 0.060 0.000 2.427 51 L HA 0.424 4.772 4.340 0.013 0.000 0.264 51 L C -1.265 175.684 176.870 0.132 0.000 0.989 51 L CA -0.374 54.514 54.840 0.079 0.000 0.865 51 L CB 0.972 42.995 42.059 -0.059 0.000 1.209 51 L HN -0.095 nan 8.230 nan 0.000 0.430 52 R N 2.232 122.854 120.500 0.204 0.000 2.407 52 R HA 0.586 4.934 4.340 0.013 0.000 0.303 52 R C -0.268 176.055 176.300 0.040 0.000 0.981 52 R CA -0.633 55.534 56.100 0.112 0.000 0.905 52 R CB 1.881 32.222 30.300 0.068 0.000 1.099 52 R HN 0.623 nan 8.270 nan 0.000 0.459 53 S N 2.264 117.977 115.700 0.021 0.000 2.537 53 S HA 0.231 4.709 4.470 0.013 0.000 0.275 53 S C 0.724 175.312 174.600 -0.020 0.000 1.272 53 S CA -0.632 57.568 58.200 0.001 0.000 1.050 53 S CB 0.515 63.728 63.200 0.022 0.000 0.961 53 S HN 0.582 nan 8.310 nan 0.000 0.496 54 L N 3.449 124.651 121.223 -0.035 0.000 2.769 54 L HA 0.288 4.636 4.340 0.013 0.000 0.240 54 L C 0.220 177.201 176.870 0.184 0.000 1.163 54 L CA -0.343 54.476 54.840 -0.035 0.000 0.962 54 L CB -0.284 41.676 42.059 -0.165 0.000 1.258 54 L HN 0.516 nan 8.230 nan 0.000 0.513 55 N N 1.061 119.841 118.700 0.133 0.000 2.482 55 N HA 0.494 5.242 4.740 0.013 0.000 0.260 55 N C 0.627 176.257 175.510 0.201 0.000 1.236 55 N CA 0.988 54.138 53.050 0.167 0.000 0.938 55 N CB 1.331 39.852 38.487 0.056 0.000 1.128 55 N HN 0.271 nan 8.380 nan 0.000 0.448 56 G N 0.426 109.367 108.800 0.235 0.000 2.292 56 G HA2 -0.073 3.895 3.960 0.013 0.000 0.194 56 G HA3 -0.073 3.895 3.960 0.013 0.000 0.194 56 G C -1.513 173.578 174.900 0.318 0.000 1.329 56 G CA -0.761 44.465 45.100 0.209 0.000 1.100 56 G HN 0.470 nan 8.290 nan 0.000 0.470 57 E N 0.036 120.401 120.200 0.276 0.000 2.259 57 E HA 0.506 4.864 4.350 0.013 0.000 0.281 57 E C -0.865 176.013 176.600 0.463 0.000 1.027 57 E CA -0.304 56.288 56.400 0.319 0.000 0.838 57 E CB 1.194 31.005 29.700 0.185 0.000 1.066 57 E HN 0.369 nan 8.360 nan 0.000 0.401 58 W N 1.396 122.780 121.300 0.139 0.000 3.307 58 W HA 0.437 5.105 4.660 0.013 0.000 0.325 58 W C 0.025 176.663 176.519 0.199 0.000 1.255 58 W CA -0.755 56.700 57.345 0.184 0.000 1.006 58 W CB 0.518 30.140 29.460 0.270 0.000 1.608 58 W HN 0.197 nan 8.180 nan 0.000 0.620 59 R N 1.087 121.901 120.500 0.524 0.000 2.532 59 R HA 0.664 5.012 4.340 0.013 0.000 0.295 59 R C -1.594 174.975 176.300 0.448 0.000 0.968 59 R CA -0.852 55.479 56.100 0.385 0.000 0.916 59 R CB 1.609 32.076 30.300 0.278 0.000 1.124 59 R HN 0.432 nan 8.270 nan 0.000 0.463 60 F N 0.247 120.236 119.950 0.065 0.000 2.628 60 F HA 0.610 5.145 4.527 0.013 0.000 0.309 60 F C -1.670 173.976 175.800 -0.257 0.000 1.108 60 F CA -0.622 57.268 58.000 -0.184 0.000 0.971 60 F CB 1.972 40.733 39.000 -0.398 0.000 1.279 60 F HN 0.656 nan 8.300 nan 0.000 0.441 61 A N 4.026 126.171 122.820 -1.125 0.000 2.449 61 A HA 0.621 4.949 4.320 0.013 0.000 0.302 61 A C -2.424 174.166 177.584 -1.655 0.000 1.048 61 A CA -0.567 50.812 52.037 -1.096 0.000 0.708 61 A CB 0.919 19.575 19.000 -0.573 0.000 1.274 61 A HN 0.934 nan 8.150 nan 0.000 0.410 62 W N 2.321 122.716 121.300 -1.509 0.000 2.469 62 W HA 0.733 5.400 4.660 0.013 0.000 0.320 62 W C -1.788 174.088 176.519 -1.072 0.000 1.086 62 W CA -0.298 56.320 57.345 -1.212 0.000 1.211 62 W CB 1.059 30.053 29.460 -0.777 0.000 1.298 62 W HN 0.494 nan 8.180 nan 0.000 0.525 63 F N 6.475 125.734 119.950 -1.151 0.000 2.563 63 F HA 0.377 4.912 4.527 0.013 0.000 0.316 63 F C -1.353 173.487 175.800 -1.599 0.000 1.076 63 F CA -2.214 55.228 58.000 -0.930 0.000 0.921 63 F CB 1.925 40.542 39.000 -0.639 0.000 1.209 63 F HN 0.204 nan 8.300 nan 0.000 0.462 64 P HA 0.155 nan 4.420 nan 0.000 0.235 64 P C -0.480 176.686 177.300 -0.224 0.000 1.177 64 P CA 0.672 63.479 63.100 -0.489 0.000 0.785 64 P CB 0.728 32.494 31.700 0.111 0.000 0.885 65 A N -0.371 122.339 122.820 -0.184 0.000 2.589 65 A HA 0.537 4.865 4.320 0.013 0.000 0.296 65 A C -2.401 175.089 177.584 -0.157 0.000 1.062 65 A CA -1.127 50.852 52.037 -0.096 0.000 0.686 65 A CB 0.617 19.629 19.000 0.020 0.000 1.282 65 A HN -0.286 nan 8.150 nan 0.000 0.404 66 P HA -0.130 nan 4.420 nan 0.000 0.219 66 P C 0.727 177.934 177.300 -0.155 0.000 1.146 66 P CA 1.453 64.426 63.100 -0.211 0.000 0.808 66 P CB 0.271 31.834 31.700 -0.229 0.000 0.779 67 E N -0.043 120.127 120.200 -0.051 0.000 2.333 67 E HA -0.049 4.309 4.350 0.013 0.000 0.198 67 E C 2.024 178.559 176.600 -0.109 0.000 1.007 67 E CA 1.130 57.509 56.400 -0.034 0.000 0.845 67 E CB -0.751 28.966 29.700 0.028 0.000 0.766 67 E HN 0.240 nan 8.360 nan 0.000 0.507 68 A N 0.337 123.058 122.820 -0.164 0.000 2.218 68 A HA 0.077 4.405 4.320 0.013 0.000 0.209 68 A C 0.730 177.983 177.584 -0.550 0.000 1.168 68 A CA -0.090 51.839 52.037 -0.179 0.000 0.804 68 A CB 0.253 19.256 19.000 0.006 0.000 0.834 68 A HN 0.036 nan 8.150 nan 0.000 0.482 69 V N 3.165 122.638 119.914 -0.736 0.000 2.470 69 V HA 0.192 4.320 4.120 0.013 0.000 0.276 69 V C -2.077 173.687 176.094 -0.550 0.000 1.040 69 V CA -1.394 60.251 62.300 -1.092 0.000 1.008 69 V CB 0.507 31.755 31.823 -0.959 0.000 0.990 69 V HN 0.351 nan 8.190 nan 0.000 0.477 70 P HA 0.203 nan 4.420 nan 0.000 0.276 70 P C 0.528 177.786 177.300 -0.071 0.000 1.235 70 P CA -0.256 62.742 63.100 -0.171 0.000 0.772 70 P CB 1.432 33.088 31.700 -0.072 0.000 0.871 71 E N 2.652 122.813 120.200 -0.066 0.000 2.118 71 E HA -0.233 4.125 4.350 0.013 0.000 0.195 71 E C 1.967 178.538 176.600 -0.048 0.000 0.992 71 E CA 2.005 58.364 56.400 -0.068 0.000 0.804 71 E CB -0.402 29.258 29.700 -0.066 0.000 0.741 71 E HN 0.492 nan 8.360 nan 0.000 0.458 72 S N -0.251 115.442 115.700 -0.013 0.000 2.393 72 S HA -0.293 4.185 4.470 0.013 0.000 0.234 72 S C 1.835 176.444 174.600 0.015 0.000 1.064 72 S CA 1.752 59.954 58.200 0.002 0.000 1.088 72 S CB -1.039 62.184 63.200 0.039 0.000 0.939 72 S HN 0.674 nan 8.310 nan 0.000 0.448 73 W N 1.901 123.118 121.300 -0.138 0.000 2.331 73 W HA -0.066 4.602 4.660 0.013 0.000 0.291 73 W C 1.746 178.162 176.519 -0.173 0.000 1.214 73 W CA 1.546 58.809 57.345 -0.136 0.000 1.228 73 W CB -0.410 28.953 29.460 -0.162 0.000 1.135 73 W HN 0.373 nan 8.180 nan 0.000 0.537 74 L N 0.222 121.219 121.223 -0.376 0.000 2.275 74 L HA -0.121 4.227 4.340 0.013 0.000 0.215 74 L C 2.084 178.702 176.870 -0.420 0.000 1.119 74 L CA 1.266 55.715 54.840 -0.652 0.000 0.790 74 L CB -0.545 41.169 42.059 -0.575 0.000 0.919 74 L HN 0.066 nan 8.230 nan 0.000 0.443 75 E N -1.861 118.186 120.200 -0.254 0.000 2.485 75 E HA 0.161 4.519 4.350 0.013 0.000 0.213 75 E C -0.068 176.462 176.600 -0.116 0.000 0.923 75 E CA 0.068 56.375 56.400 -0.154 0.000 1.054 75 E CB 1.115 30.759 29.700 -0.092 0.000 1.077 75 E HN 0.341 nan 8.360 nan 0.000 0.509 76 C N 0.974 120.210 119.300 -0.107 0.000 2.783 76 C HA 0.284 4.752 4.460 0.013 0.000 0.312 76 C C -0.098 174.880 174.990 -0.019 0.000 1.182 76 C CA -1.481 57.507 59.018 -0.051 0.000 1.432 76 C CB 1.560 29.291 27.740 -0.016 0.000 1.933 76 C HN 0.316 nan 8.230 nan 0.000 0.473 77 D N 0.837 121.243 120.400 0.010 0.000 2.419 77 D HA 0.232 4.880 4.640 0.013 0.000 0.236 77 D C -0.689 175.679 176.300 0.113 0.000 1.165 77 D CA 0.196 54.242 54.000 0.077 0.000 0.882 77 D CB 0.579 41.420 40.800 0.068 0.000 1.201 77 D HN 0.463 nan 8.370 nan 0.000 0.443 78 L N 4.906 126.236 121.223 0.178 0.000 2.259 78 L HA 0.267 4.614 4.340 0.013 0.000 0.288 78 L C -1.355 175.570 176.870 0.093 0.000 1.051 78 L CA -1.667 53.261 54.840 0.147 0.000 0.824 78 L CB 1.440 43.610 42.059 0.185 0.000 1.206 78 L HN 0.514 nan 8.230 nan 0.000 0.429 79 P HA -0.251 nan 4.420 nan 0.000 0.217 79 P C 1.062 178.386 177.300 0.039 0.000 1.151 79 P CA 1.235 64.364 63.100 0.049 0.000 0.849 79 P CB 0.087 31.810 31.700 0.037 0.000 0.787 80 E N -0.294 119.924 120.200 0.030 0.000 2.511 80 E HA 0.042 4.400 4.350 0.013 0.000 0.196 80 E C 0.768 177.367 176.600 -0.002 0.000 1.066 80 E CA 0.101 56.505 56.400 0.006 0.000 0.871 80 E CB -0.671 29.018 29.700 -0.019 0.000 0.863 80 E HN 0.089 nan 8.360 nan 0.000 0.520 81 A N 1.187 124.018 122.820 0.018 0.000 2.366 81 A HA 0.171 4.498 4.320 0.013 0.000 0.250 81 A C -0.118 177.505 177.584 0.066 0.000 1.099 81 A CA -0.057 51.989 52.037 0.015 0.000 0.794 81 A CB 0.298 19.343 19.000 0.074 0.000 1.056 81 A HN 0.121 nan 8.150 nan 0.000 0.499 82 D N -0.756 119.709 120.400 0.110 0.000 2.374 82 D HA 0.525 5.173 4.640 0.013 0.000 0.239 82 D C -0.765 175.643 176.300 0.179 0.000 0.991 82 D CA -0.038 54.055 54.000 0.154 0.000 0.960 82 D CB 1.486 42.430 40.800 0.239 0.000 1.284 82 D HN 0.372 nan 8.370 nan 0.000 0.512 83 T N 0.589 115.234 114.554 0.150 0.000 2.744 83 T HA 0.516 4.874 4.350 0.013 0.000 0.291 83 T C -0.013 174.768 174.700 0.133 0.000 0.957 83 T CA -0.522 61.672 62.100 0.156 0.000 1.002 83 T CB 0.577 69.515 68.868 0.117 0.000 0.919 83 T HN 0.262 nan 8.240 nan 0.000 0.468 84 V N 1.456 121.474 119.914 0.174 0.000 3.078 84 V HA 0.784 4.912 4.120 0.013 0.000 0.311 84 V C -0.298 175.898 176.094 0.171 0.000 1.138 84 V CA -1.052 61.312 62.300 0.106 0.000 1.007 84 V CB 1.661 33.549 31.823 0.107 0.000 1.045 84 V HN 0.507 nan 8.190 nan 0.000 0.432 85 V N 2.556 122.548 119.914 0.129 0.000 2.649 85 V HA 0.519 4.647 4.120 0.013 0.000 0.292 85 V C 0.050 176.208 176.094 0.107 0.000 1.055 85 V CA -0.026 62.356 62.300 0.137 0.000 1.023 85 V CB 1.450 33.329 31.823 0.093 0.000 0.992 85 V HN 0.774 nan 8.190 nan 0.000 0.480 86 V N 6.669 126.576 119.914 -0.011 0.000 2.638 86 V HA 0.443 4.570 4.120 0.013 0.000 0.306 86 V C -2.361 173.632 176.094 -0.168 0.000 1.052 86 V CA -1.698 60.462 62.300 -0.233 0.000 0.885 86 V CB 2.447 33.798 31.823 -0.786 0.000 0.999 86 V HN 0.763 nan 8.190 nan 0.000 0.424 87 P HA 0.432 nan 4.420 nan 0.000 0.274 87 P C -0.797 176.424 177.300 -0.131 0.000 1.231 87 P CA -0.086 62.894 63.100 -0.200 0.000 0.790 87 P CB 1.275 32.871 31.700 -0.174 0.000 0.951 88 S N 0.470 116.092 115.700 -0.130 0.000 2.578 88 S HA 0.426 4.904 4.470 0.013 0.000 0.272 88 S C -1.312 173.197 174.600 -0.152 0.000 1.145 88 S CA -1.005 57.096 58.200 -0.167 0.000 0.835 88 S CB 0.517 63.589 63.200 -0.213 0.000 1.104 88 S HN 0.323 nan 8.310 nan 0.000 0.458 89 N N 1.172 119.725 118.700 -0.245 0.000 2.424 89 N HA 0.414 5.162 4.740 0.013 0.000 0.271 89 N C 0.544 175.889 175.510 -0.275 0.000 0.985 89 N CA -0.819 52.068 53.050 -0.271 0.000 0.921 89 N CB 0.700 38.999 38.487 -0.314 0.000 1.149 89 N HN 0.863 nan 8.380 nan 0.000 0.492 90 W N 2.739 123.923 121.300 -0.194 0.000 2.387 90 W HA -0.128 4.540 4.660 0.013 0.000 0.272 90 W C 0.925 177.477 176.519 0.055 0.000 1.224 90 W CA 0.833 58.104 57.345 -0.123 0.000 1.210 90 W CB -0.344 29.020 29.460 -0.160 0.000 1.125 90 W HN 0.514 nan 8.180 nan 0.000 0.572 91 Q N 0.381 120.188 119.800 0.011 0.000 2.167 91 Q HA -0.106 4.242 4.340 0.013 0.000 0.202 91 Q C 2.174 178.155 176.000 -0.032 0.000 0.970 91 Q CA 1.754 57.564 55.803 0.012 0.000 0.855 91 Q CB -0.584 28.035 28.738 -0.198 0.000 0.911 91 Q HN 0.265 nan 8.270 nan 0.000 0.438 92 M N -0.825 118.708 119.600 -0.112 0.000 2.476 92 M HA -0.057 4.431 4.480 0.013 0.000 0.262 92 M C 0.699 177.053 176.300 0.090 0.000 1.079 92 M CA 1.410 56.649 55.300 -0.102 0.000 1.104 92 M CB -0.588 31.909 32.600 -0.171 0.000 1.409 92 M HN 0.377 nan 8.290 nan 0.000 0.467 93 H N -1.014 118.107 119.070 0.086 0.000 2.586 93 H HA 0.288 4.852 4.556 0.013 0.000 0.273 93 H C 1.313 176.579 175.328 -0.104 0.000 0.997 93 H CA 0.097 56.191 56.048 0.077 0.000 1.177 93 H CB 0.429 30.357 29.762 0.275 0.000 1.471 93 H HN 0.545 nan 8.280 nan 0.000 0.538 94 G N 0.675 109.510 108.800 0.057 0.000 2.184 94 G HA2 -0.391 3.577 3.960 0.013 0.000 0.264 94 G HA3 -0.391 3.577 3.960 0.013 0.000 0.264 94 G C 0.486 175.296 174.900 -0.150 0.000 0.975 94 G CA 0.482 45.544 45.100 -0.062 0.000 0.642 94 G HN 0.498 nan 8.290 nan 0.000 0.536 95 Y N 1.597 121.949 120.300 0.087 0.000 2.333 95 Y HA 0.216 4.774 4.550 0.013 0.000 0.290 95 Y C 1.695 177.412 175.900 -0.304 0.000 1.144 95 Y CA 1.687 59.729 58.100 -0.096 0.000 1.228 95 Y CB 0.197 38.702 38.460 0.074 0.000 0.985 95 Y HN 0.679 nan 8.280 nan 0.000 0.542 96 D N -1.962 118.535 120.400 0.162 0.000 2.692 96 D HA 0.447 5.095 4.640 0.013 0.000 0.290 96 D C -1.294 175.107 176.300 0.169 0.000 1.281 96 D CA -0.778 53.308 54.000 0.142 0.000 0.804 96 D CB 0.708 41.702 40.800 0.324 0.000 1.331 96 D HN -0.077 nan 8.370 nan 0.000 0.432 97 A N 0.330 123.251 122.820 0.167 0.000 2.331 97 A HA 0.687 5.015 4.320 0.013 0.000 0.283 97 A C -2.304 175.325 177.584 0.076 0.000 1.142 97 A CA -1.112 51.007 52.037 0.137 0.000 0.812 97 A CB 0.096 19.230 19.000 0.223 0.000 1.074 97 A HN 0.530 nan 8.150 nan 0.000 0.497 98 P HA 0.480 nan 4.420 nan 0.000 0.278 98 P C -0.870 176.597 177.300 0.280 0.000 1.238 98 P CA -0.020 63.044 63.100 -0.059 0.000 0.794 98 P CB 0.879 32.289 31.700 -0.483 0.000 0.955 99 I N 2.064 122.884 120.570 0.417 0.000 2.474 99 I HA 0.287 4.464 4.170 0.013 0.000 0.294 99 I C -0.559 175.731 176.117 0.289 0.000 1.005 99 I CA -0.976 60.558 61.300 0.391 0.000 1.113 99 I CB 1.779 39.949 38.000 0.283 0.000 1.289 99 I HN 0.284 nan 8.210 nan 0.000 0.436 100 Y N 5.482 125.715 120.300 -0.111 0.000 2.587 100 Y HA 0.515 5.073 4.550 0.013 0.000 0.328 100 Y C -0.395 175.342 175.900 -0.271 0.000 0.980 100 Y CA -0.496 57.280 58.100 -0.540 0.000 1.272 100 Y CB 1.086 38.690 38.460 -1.428 0.000 1.094 100 Y HN 0.546 nan 8.280 nan 0.000 0.503 101 T N 4.676 118.690 114.554 -0.899 0.000 2.876 101 T HA 0.286 4.643 4.350 0.013 0.000 0.289 101 T C 0.142 174.377 174.700 -0.774 0.000 1.014 101 T CA -0.499 61.114 62.100 -0.811 0.000 0.986 101 T CB 1.273 69.907 68.868 -0.390 0.000 1.021 101 T HN 0.890 nan 8.240 nan 0.000 0.458 102 N N 2.503 120.785 118.700 -0.696 0.000 2.288 102 N HA 0.024 4.772 4.740 0.013 0.000 0.199 102 N C 1.523 176.773 175.510 -0.433 0.000 1.043 102 N CA 0.509 53.293 53.050 -0.443 0.000 0.947 102 N CB 0.108 38.328 38.487 -0.445 0.000 1.140 102 N HN 0.354 nan 8.380 nan 0.000 0.490 103 V N 0.827 120.413 119.914 -0.548 0.000 2.300 103 V HA -0.016 4.112 4.120 0.013 0.000 0.241 103 V C 0.664 176.446 176.094 -0.520 0.000 1.034 103 V CA 1.058 62.961 62.300 -0.661 0.000 1.021 103 V CB -0.622 30.692 31.823 -0.848 0.000 0.662 103 V HN 0.422 nan 8.190 nan 0.000 0.458 104 T N 0.620 114.935 114.554 -0.399 0.000 2.902 104 T HA 0.136 4.494 4.350 0.013 0.000 0.301 104 T C -0.336 174.227 174.700 -0.229 0.000 1.012 104 T CA 0.205 62.145 62.100 -0.266 0.000 1.151 104 T CB -0.169 68.576 68.868 -0.204 0.000 0.946 104 T HN 0.173 nan 8.240 nan 0.000 0.542 105 Y N 4.244 124.442 120.300 -0.171 0.000 2.607 105 Y HA 0.109 4.667 4.550 0.013 0.000 0.348 105 Y C -0.786 174.984 175.900 -0.218 0.000 1.261 105 Y CA -1.536 56.453 58.100 -0.186 0.000 1.480 105 Y CB 0.332 38.675 38.460 -0.196 0.000 1.358 105 Y HN 0.506 nan 8.280 nan 0.000 0.630 106 P HA 0.042 nan 4.420 nan 0.000 0.249 106 P C -0.482 176.590 177.300 -0.381 0.000 1.229 106 P CA 0.986 63.975 63.100 -0.185 0.000 0.788 106 P CB 0.034 31.668 31.700 -0.109 0.000 1.072 107 I N -5.529 114.796 120.570 -0.409 0.000 2.934 107 I HA 0.497 4.674 4.170 0.013 0.000 0.306 107 I C -0.544 175.431 176.117 -0.236 0.000 1.110 107 I CA -1.232 59.795 61.300 -0.454 0.000 1.019 107 I CB 1.732 39.305 38.000 -0.712 0.000 1.227 107 I HN -0.471 nan 8.210 nan 0.000 0.434 108 T N 2.748 117.211 114.554 -0.153 0.000 2.934 108 T HA 0.125 4.483 4.350 0.013 0.000 0.306 108 T C 0.195 174.871 174.700 -0.040 0.000 1.042 108 T CA -0.143 61.919 62.100 -0.064 0.000 1.145 108 T CB 0.556 69.411 68.868 -0.021 0.000 0.982 108 T HN 0.385 nan 8.240 nan 0.000 0.544 109 V N 4.970 124.878 119.914 -0.011 0.000 2.352 109 V HA 0.222 4.349 4.120 0.013 0.000 0.253 109 V C 0.665 176.813 176.094 0.090 0.000 1.083 109 V CA -0.172 62.142 62.300 0.024 0.000 0.993 109 V CB -0.232 31.595 31.823 0.006 0.000 1.111 109 V HN 0.863 nan 8.190 nan 0.000 0.490 110 N N 6.156 124.977 118.700 0.201 0.000 2.700 110 N HA 0.256 5.004 4.740 0.013 0.000 0.242 110 N C -2.939 172.673 175.510 0.169 0.000 1.541 110 N CA -1.332 51.823 53.050 0.175 0.000 0.764 110 N CB 1.418 40.028 38.487 0.206 0.000 1.319 110 N HN 0.250 nan 8.380 nan 0.000 0.518 111 P HA 0.108 nan 4.420 nan 0.000 0.261 111 P C -2.305 174.802 177.300 -0.322 0.000 1.173 111 P CA -0.548 62.147 63.100 -0.674 0.000 0.760 111 P CB 0.562 31.819 31.700 -0.737 0.000 0.783 112 P HA 0.249 nan 4.420 nan 0.000 0.276 112 P C -0.381 176.733 177.300 -0.310 0.000 1.585 112 P CA -0.335 62.471 63.100 -0.490 0.000 1.162 112 P CB 0.193 31.577 31.700 -0.525 0.000 1.556 113 F N 1.111 121.157 119.950 0.161 0.000 2.380 113 F HA 0.314 4.849 4.527 0.013 0.000 0.325 113 F C 1.385 177.356 175.800 0.285 0.000 1.136 113 F CA -0.632 57.483 58.000 0.191 0.000 1.171 113 F CB 0.836 39.897 39.000 0.102 0.000 1.230 113 F HN -0.215 nan 8.300 nan 0.000 0.554 114 V N -0.816 119.365 119.914 0.445 0.000 3.126 114 V HA 0.707 4.835 4.120 0.013 0.000 0.314 114 V C -2.815 173.441 176.094 0.269 0.000 1.138 114 V CA -2.861 59.623 62.300 0.307 0.000 1.034 114 V CB 1.471 33.517 31.823 0.372 0.000 1.075 114 V HN 0.471 nan 8.190 nan 0.000 0.442 115 P HA 0.257 nan 4.420 nan 0.000 0.269 115 P C 1.012 178.449 177.300 0.229 0.000 1.209 115 P CA 0.346 63.540 63.100 0.157 0.000 0.776 115 P CB 0.636 32.395 31.700 0.098 0.000 0.876 116 T N -1.210 113.450 114.554 0.178 0.000 2.821 116 T HA -0.119 4.238 4.350 0.013 0.000 0.267 116 T C 0.382 175.192 174.700 0.183 0.000 1.046 116 T CA 0.920 63.128 62.100 0.180 0.000 1.139 116 T CB -0.629 68.311 68.868 0.121 0.000 0.871 116 T HN 0.473 nan 8.240 nan 0.000 0.454 117 E N 2.674 122.981 120.200 0.179 0.000 2.052 117 E HA 0.335 4.692 4.350 0.013 0.000 0.283 117 E C -0.763 175.991 176.600 0.256 0.000 1.071 117 E CA -0.481 56.032 56.400 0.189 0.000 0.851 117 E CB 0.230 30.047 29.700 0.195 0.000 1.066 117 E HN 0.198 nan 8.360 nan 0.000 0.396 118 N N 4.339 123.164 118.700 0.209 0.000 2.573 118 N HA 0.211 4.959 4.740 0.013 0.000 0.262 118 N C -2.802 172.752 175.510 0.074 0.000 1.029 118 N CA -2.598 50.615 53.050 0.272 0.000 0.882 118 N CB 1.125 39.766 38.487 0.256 0.000 1.204 118 N HN 0.074 nan 8.380 nan 0.000 0.519 119 P HA -0.013 nan 4.420 nan 0.000 0.257 119 P C -0.800 176.415 177.300 -0.142 0.000 1.162 119 P CA 0.562 63.615 63.100 -0.079 0.000 0.762 119 P CB 0.256 32.210 31.700 0.424 0.000 0.753 120 T N 3.051 117.254 114.554 -0.586 0.000 2.809 120 T HA 0.537 4.894 4.350 0.013 0.000 0.284 120 T C 0.343 174.541 174.700 -0.836 0.000 0.992 120 T CA -0.530 61.288 62.100 -0.469 0.000 0.957 120 T CB 1.427 70.054 68.868 -0.401 0.000 0.942 120 T HN 0.336 nan 8.240 nan 0.000 0.439 121 G N 1.262 109.633 108.800 -0.715 0.000 2.335 121 G HA2 0.476 4.443 3.960 0.013 0.000 0.314 121 G HA3 0.476 4.443 3.960 0.013 0.000 0.314 121 G C -0.254 174.478 174.900 -0.279 0.000 1.129 121 G CA -0.342 44.268 45.100 -0.816 0.000 0.912 121 G HN 0.854 nan 8.290 nan 0.000 0.443 122 C N 3.036 121.945 119.300 -0.652 0.000 2.239 122 C HA 0.508 4.976 4.460 0.013 0.000 0.325 122 C C -0.502 174.501 174.990 0.023 0.000 1.231 122 C CA -0.823 57.947 59.018 -0.413 0.000 1.652 122 C CB -1.457 25.612 27.740 -1.118 0.000 2.284 122 C HN 0.642 nan 8.230 nan 0.000 0.499 123 Y N 1.918 122.530 120.300 0.521 0.000 2.457 123 Y HA 0.666 5.224 4.550 0.013 0.000 0.333 123 Y C 0.744 177.127 175.900 0.806 0.000 1.119 123 Y CA -0.164 58.345 58.100 0.681 0.000 1.143 123 Y CB 1.605 40.395 38.460 0.550 0.000 1.230 123 Y HN 0.696 nan 8.280 nan 0.000 0.469 124 S N 1.967 118.210 115.700 0.906 0.000 2.547 124 S HA 0.781 5.259 4.470 0.013 0.000 0.270 124 S C -2.040 172.696 174.600 0.226 0.000 1.150 124 S CA -0.795 57.712 58.200 0.513 0.000 0.850 124 S CB 2.044 65.419 63.200 0.291 0.000 1.118 124 S HN 0.606 nan 8.310 nan 0.000 0.461 125 L N 0.919 122.070 121.223 -0.120 0.000 2.482 125 L HA 0.733 5.081 4.340 0.013 0.000 0.263 125 L C -1.125 175.701 176.870 -0.074 0.000 0.957 125 L CA 0.128 54.730 54.840 -0.396 0.000 0.836 125 L CB 2.363 43.640 42.059 -1.304 0.000 1.324 125 L HN 0.926 nan 8.230 nan 0.000 0.406 126 T N 5.724 120.259 114.554 -0.032 0.000 2.756 126 T HA 0.724 5.082 4.350 0.013 0.000 0.290 126 T C -0.848 173.895 174.700 0.071 0.000 0.985 126 T CA -0.020 62.088 62.100 0.012 0.000 0.955 126 T CB 0.102 68.952 68.868 -0.030 0.000 0.930 126 T HN 0.442 nan 8.240 nan 0.000 0.451 127 F N 1.259 121.110 119.950 -0.164 0.000 2.662 127 F HA 0.774 5.309 4.527 0.013 0.000 0.312 127 F C -0.749 174.969 175.800 -0.136 0.000 1.113 127 F CA -1.529 56.374 58.000 -0.162 0.000 0.951 127 F CB 1.388 40.266 39.000 -0.204 0.000 1.344 127 F HN 0.352 nan 8.300 nan 0.000 0.462 128 N N 0.186 118.821 118.700 -0.108 0.000 2.466 128 N HA 0.695 5.442 4.740 0.013 0.000 0.294 128 N C -1.945 173.441 175.510 -0.208 0.000 1.129 128 N CA -0.504 52.415 53.050 -0.218 0.000 0.931 128 N CB 2.069 40.483 38.487 -0.121 0.000 1.193 128 N HN 0.641 nan 8.380 nan 0.000 0.500 129 V N 1.617 121.373 119.914 -0.263 0.000 2.577 129 V HA 0.256 4.384 4.120 0.013 0.000 0.303 129 V C -0.684 175.271 176.094 -0.231 0.000 1.042 129 V CA -0.939 61.199 62.300 -0.270 0.000 0.872 129 V CB 1.330 33.037 31.823 -0.194 0.000 0.998 129 V HN 0.821 nan 8.190 nan 0.000 0.423 130 D N 2.343 122.555 120.400 -0.314 0.000 2.350 130 D HA 0.148 4.796 4.640 0.013 0.000 0.249 130 D C 1.154 177.432 176.300 -0.036 0.000 1.119 130 D CA 0.011 53.915 54.000 -0.160 0.000 0.886 130 D CB 1.353 42.073 40.800 -0.134 0.000 1.195 130 D HN 0.708 nan 8.370 nan 0.000 0.437 131 E N 1.499 121.698 120.200 -0.002 0.000 2.147 131 E HA -0.269 4.088 4.350 0.013 0.000 0.199 131 E C 1.720 178.375 176.600 0.092 0.000 1.005 131 E CA 1.825 58.248 56.400 0.039 0.000 0.810 131 E CB 0.080 29.792 29.700 0.020 0.000 0.736 131 E HN 0.592 nan 8.360 nan 0.000 0.460 132 S N -0.677 115.087 115.700 0.107 0.000 2.400 132 S HA -0.196 4.282 4.470 0.013 0.000 0.232 132 S C 1.531 176.211 174.600 0.134 0.000 1.025 132 S CA 1.106 59.372 58.200 0.110 0.000 0.993 132 S CB -0.653 62.612 63.200 0.109 0.000 0.808 132 S HN 0.406 nan 8.310 nan 0.000 0.478 133 W N 1.555 122.778 121.300 -0.128 0.000 2.519 133 W HA 0.379 5.046 4.660 0.013 0.000 0.266 133 W C 1.892 178.448 176.519 0.061 0.000 1.253 133 W CA -0.260 56.983 57.345 -0.170 0.000 1.274 133 W CB -0.511 28.934 29.460 -0.025 0.000 1.114 133 W HN 0.301 nan 8.180 nan 0.000 0.596 134 L N 0.099 121.485 121.223 0.273 0.000 2.416 134 L HA -0.054 4.293 4.340 0.013 0.000 0.216 134 L C 2.437 179.394 176.870 0.145 0.000 1.098 134 L CA 0.557 55.521 54.840 0.206 0.000 0.840 134 L CB -0.679 41.466 42.059 0.144 0.000 0.981 134 L HN -0.005 nan 8.230 nan 0.000 0.462 135 Q N 1.446 121.315 119.800 0.115 0.000 2.291 135 Q HA -0.071 4.276 4.340 0.013 0.000 0.205 135 Q C 0.160 176.210 176.000 0.084 0.000 0.970 135 Q CA 0.754 56.604 55.803 0.079 0.000 0.876 135 Q CB -0.092 28.679 28.738 0.055 0.000 0.935 135 Q HN 0.677 nan 8.270 nan 0.000 0.455 136 E N -1.352 118.920 120.200 0.121 0.000 2.423 136 E HA 0.546 4.903 4.350 0.013 0.000 0.280 136 E C -0.241 176.493 176.600 0.224 0.000 1.030 136 E CA -0.633 55.840 56.400 0.122 0.000 0.812 136 E CB 1.264 31.013 29.700 0.082 0.000 1.313 136 E HN 0.068 nan 8.360 nan 0.000 0.456 137 G N 0.543 109.414 108.800 0.118 0.000 2.693 137 G HA2 -0.229 3.738 3.960 0.013 0.000 0.226 137 G HA3 -0.229 3.738 3.960 0.013 0.000 0.226 137 G C -0.898 173.935 174.900 -0.112 0.000 1.354 137 G CA 0.009 45.096 45.100 -0.021 0.000 0.873 137 G HN 0.747 nan 8.290 nan 0.000 0.562 138 Q N -0.330 119.223 119.800 -0.411 0.000 2.330 138 Q HA 0.619 4.967 4.340 0.013 0.000 0.269 138 Q C -0.857 174.994 176.000 -0.249 0.000 1.022 138 Q CA -0.466 55.202 55.803 -0.224 0.000 0.796 138 Q CB 1.406 30.050 28.738 -0.156 0.000 1.271 138 Q HN 0.624 nan 8.270 nan 0.000 0.450 139 T N 5.165 119.752 114.554 0.055 0.000 2.749 139 T HA 0.476 4.834 4.350 0.013 0.000 0.287 139 T C -0.529 174.287 174.700 0.194 0.000 0.970 139 T CA -0.590 61.647 62.100 0.228 0.000 0.980 139 T CB 0.461 69.623 68.868 0.491 0.000 0.924 139 T HN 0.622 nan 8.240 nan 0.000 0.456 140 R N 2.802 123.404 120.500 0.169 0.000 2.807 140 R HA 0.765 5.113 4.340 0.013 0.000 0.276 140 R C -1.217 175.173 176.300 0.148 0.000 0.979 140 R CA -0.990 55.200 56.100 0.151 0.000 0.928 140 R CB 1.522 31.884 30.300 0.104 0.000 1.191 140 R HN 0.573 nan 8.270 nan 0.000 0.471 141 I N 2.875 123.528 120.570 0.138 0.000 2.412 141 I HA 0.440 4.618 4.170 0.013 0.000 0.296 141 I C -1.076 175.059 176.117 0.030 0.000 0.987 141 I CA -1.224 60.099 61.300 0.037 0.000 1.180 141 I CB 1.276 39.280 38.000 0.006 0.000 1.340 141 I HN 0.636 nan 8.210 nan 0.000 0.455 142 I N 7.448 127.941 120.570 -0.128 0.000 2.418 142 I HA 0.290 4.468 4.170 0.013 0.000 0.287 142 I C -1.268 174.688 176.117 -0.269 0.000 1.008 142 I CA -0.361 60.884 61.300 -0.093 0.000 1.104 142 I CB 1.471 39.430 38.000 -0.069 0.000 1.264 142 I HN 0.399 nan 8.210 nan 0.000 0.438 143 F N 4.670 124.595 119.950 -0.041 0.000 2.332 143 F HA 0.265 4.800 4.527 0.013 0.000 0.368 143 F C 1.314 176.993 175.800 -0.201 0.000 1.110 143 F CA -0.439 57.468 58.000 -0.155 0.000 1.087 143 F CB 0.811 39.672 39.000 -0.232 0.000 1.235 143 F HN 0.461 nan 8.300 nan 0.000 0.470 144 D N 2.387 122.699 120.400 -0.148 0.000 2.264 144 D HA 0.033 4.681 4.640 0.013 0.000 0.208 144 D C 0.999 177.121 176.300 -0.296 0.000 0.966 144 D CA 0.908 54.775 54.000 -0.222 0.000 0.864 144 D CB 0.366 40.979 40.800 -0.312 0.000 0.933 144 D HN 0.622 nan 8.370 nan 0.000 0.499 145 G N -0.385 108.177 108.800 -0.396 0.000 2.505 145 G HA2 0.424 4.392 3.960 0.013 0.000 0.292 145 G HA3 0.424 4.392 3.960 0.013 0.000 0.292 145 G C -1.436 173.176 174.900 -0.480 0.000 1.332 145 G CA -0.447 44.297 45.100 -0.595 0.000 1.286 145 G HN -0.056 nan 8.290 nan 0.000 0.606 146 V N 2.567 122.413 119.914 -0.113 0.000 2.483 146 V HA 0.552 4.679 4.120 0.013 0.000 0.297 146 V C -0.739 175.444 176.094 0.149 0.000 1.027 146 V CA -1.153 61.098 62.300 -0.080 0.000 0.855 146 V CB 1.862 33.370 31.823 -0.524 0.000 0.995 146 V HN 0.710 nan 8.190 nan 0.000 0.424 147 N N 2.616 121.395 118.700 0.131 0.000 2.443 147 N HA 0.325 5.073 4.740 0.013 0.000 0.269 147 N C 0.539 175.970 175.510 -0.132 0.000 0.985 147 N CA 0.108 53.141 53.050 -0.029 0.000 0.921 147 N CB 2.260 40.572 38.487 -0.292 0.000 1.195 147 N HN 0.645 nan 8.380 nan 0.000 0.492 148 S N 1.984 117.641 115.700 -0.072 0.000 2.526 148 S HA 0.600 5.078 4.470 0.013 0.000 0.220 148 S C 0.289 174.938 174.600 0.082 0.000 1.017 148 S CA 0.190 58.400 58.200 0.018 0.000 0.930 148 S CB 0.224 63.442 63.200 0.030 0.000 0.856 148 S HN 0.708 nan 8.310 nan 0.000 0.497 149 A N 0.747 123.622 122.820 0.091 0.000 2.601 149 A HA 0.770 5.098 4.320 0.013 0.000 0.291 149 A C -1.388 176.256 177.584 0.100 0.000 1.075 149 A CA -0.940 51.107 52.037 0.017 0.000 0.671 149 A CB 0.715 19.738 19.000 0.039 0.000 1.277 149 A HN 1.157 nan 8.150 nan 0.000 0.417 150 F N -0.920 118.795 119.950 -0.391 0.000 2.719 150 F HA 0.741 5.275 4.527 0.013 0.000 0.309 150 F C -1.228 174.418 175.800 -0.257 0.000 1.138 150 F CA -0.796 57.074 58.000 -0.217 0.000 0.943 150 F CB 1.083 39.971 39.000 -0.187 0.000 1.304 150 F HN 0.642 nan 8.300 nan 0.000 0.445 151 H N 1.926 121.101 119.070 0.175 0.000 2.499 151 H HA 0.705 5.268 4.556 0.013 0.000 0.340 151 H C -1.417 173.906 175.328 -0.009 0.000 1.148 151 H CA -0.725 55.339 56.048 0.026 0.000 1.215 151 H CB 2.467 32.244 29.762 0.025 0.000 1.529 151 H HN 0.792 nan 8.280 nan 0.000 0.510 152 L N 3.164 124.213 121.223 -0.290 0.000 2.362 152 L HA 0.420 4.768 4.340 0.013 0.000 0.275 152 L C -1.543 175.096 176.870 -0.384 0.000 0.998 152 L CA -0.476 54.233 54.840 -0.218 0.000 0.820 152 L CB 1.289 43.087 42.059 -0.436 0.000 1.270 152 L HN 0.517 nan 8.230 nan 0.000 0.415 153 W N 4.161 125.444 121.300 -0.029 0.000 2.950 153 W HA 0.619 5.287 4.660 0.013 0.000 0.340 153 W C -1.245 175.231 176.519 -0.070 0.000 1.139 153 W CA -0.858 56.454 57.345 -0.056 0.000 1.188 153 W CB 2.093 31.563 29.460 0.018 0.000 1.426 153 W HN 0.608 nan 8.180 nan 0.000 0.531 154 C N 3.857 123.262 119.300 0.174 0.000 2.516 154 C HA 0.292 4.760 4.460 0.013 0.000 0.338 154 C C 0.051 175.175 174.990 0.223 0.000 1.132 154 C CA -0.417 58.694 59.018 0.154 0.000 1.310 154 C CB -0.405 27.368 27.740 0.054 0.000 1.898 154 C HN 0.796 nan 8.230 nan 0.000 0.452 155 N N 3.603 122.383 118.700 0.134 0.000 2.714 155 N HA -0.190 4.558 4.740 0.013 0.000 0.252 155 N C 1.017 176.595 175.510 0.112 0.000 1.014 155 N CA 1.882 54.984 53.050 0.088 0.000 0.735 155 N CB -1.210 37.330 38.487 0.088 0.000 0.924 155 N HN 1.857 nan 8.380 nan 0.000 0.540 156 G N -0.950 107.903 108.800 0.088 0.000 2.186 156 G HA2 -0.392 3.576 3.960 0.013 0.000 0.266 156 G HA3 -0.392 3.576 3.960 0.013 0.000 0.266 156 G C 0.212 175.270 174.900 0.263 0.000 0.982 156 G CA 1.005 46.151 45.100 0.076 0.000 0.670 156 G HN 0.639 nan 8.290 nan 0.000 0.533 157 R N -1.434 119.292 120.500 0.377 0.000 2.474 157 R HA 0.443 4.791 4.340 0.013 0.000 0.295 157 R C -0.251 176.389 176.300 0.566 0.000 0.980 157 R CA -0.940 55.455 56.100 0.492 0.000 0.934 157 R CB 1.093 31.698 30.300 0.509 0.000 1.101 157 R HN 0.178 nan 8.270 nan 0.000 0.469 158 W N 3.334 124.820 121.300 0.310 0.000 2.303 158 W HA 0.102 4.769 4.660 0.013 0.000 0.318 158 W C 0.158 176.599 176.519 -0.130 0.000 1.362 158 W CA -0.051 57.190 57.345 -0.172 0.000 1.234 158 W CB 0.661 29.978 29.460 -0.238 0.000 1.248 158 W HN 0.352 nan 8.180 nan 0.000 0.546 159 V N 5.461 124.674 119.914 -1.169 0.000 2.490 159 V HA 0.535 4.662 4.120 0.013 0.000 0.238 159 V C 1.118 176.224 176.094 -1.647 0.000 1.056 159 V CA 1.193 62.741 62.300 -1.253 0.000 1.075 159 V CB -0.668 30.456 31.823 -1.166 0.000 0.746 159 V HN 0.783 nan 8.190 nan 0.000 0.479 160 G N -2.013 105.575 108.800 -2.019 0.000 2.427 160 G HA2 0.464 4.431 3.960 0.013 0.000 0.306 160 G HA3 0.464 4.431 3.960 0.013 0.000 0.306 160 G C -2.407 172.042 174.900 -0.751 0.000 1.280 160 G CA -0.260 43.980 45.100 -1.434 0.000 0.837 160 G HN 0.043 nan 8.290 nan 0.000 0.482 161 Y N -0.569 119.487 120.300 -0.406 0.000 2.562 161 Y HA 0.698 5.256 4.550 0.013 0.000 0.345 161 Y C -0.050 175.671 175.900 -0.298 0.000 1.045 161 Y CA 0.035 57.860 58.100 -0.458 0.000 1.028 161 Y CB 2.347 40.681 38.460 -0.210 0.000 1.297 161 Y HN 1.238 nan 8.280 nan 0.000 0.463 162 G N 3.534 111.579 108.800 -1.257 0.000 2.742 162 G HA2 0.557 4.525 3.960 0.013 0.000 0.296 162 G HA3 0.557 4.525 3.960 0.013 0.000 0.296 162 G C -2.195 172.306 174.900 -0.666 0.000 1.436 162 G CA -0.871 43.820 45.100 -0.682 0.000 0.928 162 G HN 0.607 nan 8.290 nan 0.000 0.520 163 Q N -0.166 119.481 119.800 -0.253 0.000 2.552 163 Q HA 0.614 4.962 4.340 0.013 0.000 0.289 163 Q C -1.365 174.644 176.000 0.014 0.000 1.097 163 Q CA -0.817 54.935 55.803 -0.084 0.000 0.812 163 Q CB 2.740 31.481 28.738 0.005 0.000 1.460 163 Q HN 0.665 nan 8.270 nan 0.000 0.452 164 D N -0.259 120.182 120.400 0.069 0.000 4.013 164 D HA -0.095 4.553 4.640 0.013 0.000 0.225 164 D C -0.549 175.815 176.300 0.106 0.000 1.196 164 D CA 0.396 54.450 54.000 0.089 0.000 0.889 164 D CB -0.690 40.147 40.800 0.063 0.000 0.572 164 D HN 0.516 nan 8.370 nan 0.000 0.258 165 S N 3.180 118.955 115.700 0.126 0.000 2.507 165 S HA -0.069 4.409 4.470 0.013 0.000 0.235 165 S C 1.493 176.228 174.600 0.224 0.000 0.988 165 S CA 0.619 58.922 58.200 0.171 0.000 0.944 165 S CB 0.203 63.471 63.200 0.113 0.000 0.762 165 S HN 0.467 nan 8.310 nan 0.000 0.526 166 R N 0.179 120.770 120.500 0.152 0.000 2.596 166 R HA 0.429 4.776 4.340 0.013 0.000 0.369 166 R C -0.558 175.796 176.300 0.089 0.000 1.042 166 R CA 0.054 56.241 56.100 0.145 0.000 1.120 166 R CB 0.222 30.628 30.300 0.176 0.000 1.353 166 R HN 0.311 nan 8.270 nan 0.000 0.564 167 L N 1.304 122.552 121.223 0.042 0.000 2.350 167 L HA 0.527 4.875 4.340 0.013 0.000 0.260 167 L C -2.398 174.446 176.870 -0.043 0.000 1.015 167 L CA -2.352 52.483 54.840 -0.008 0.000 0.821 167 L CB 2.907 44.957 42.059 -0.015 0.000 1.370 167 L HN -0.195 nan 8.230 nan 0.000 0.416 168 P HA 0.094 nan 4.420 nan 0.000 0.271 168 P C -0.931 176.332 177.300 -0.061 0.000 1.216 168 P CA -0.124 62.925 63.100 -0.085 0.000 0.771 168 P CB 1.126 32.741 31.700 -0.143 0.000 0.864 169 S N 2.141 117.864 115.700 0.038 0.000 2.449 169 S HA 0.314 4.792 4.470 0.013 0.000 0.310 169 S C -0.362 174.185 174.600 -0.087 0.000 1.096 169 S CA -0.572 57.614 58.200 -0.024 0.000 1.095 169 S CB 0.808 64.154 63.200 0.243 0.000 1.007 169 S HN 0.366 nan 8.310 nan 0.000 0.474 170 E N 2.026 121.994 120.200 -0.387 0.000 2.212 170 E HA 0.601 4.959 4.350 0.013 0.000 0.268 170 E C -1.430 174.819 176.600 -0.585 0.000 0.902 170 E CA -0.589 55.654 56.400 -0.263 0.000 0.779 170 E CB 1.648 31.301 29.700 -0.079 0.000 1.172 170 E HN 0.407 nan 8.360 nan 0.000 0.409 171 F N 0.461 120.466 119.950 0.092 0.000 2.578 171 F HA 0.208 4.743 4.527 0.013 0.000 0.311 171 F C -0.197 175.626 175.800 0.038 0.000 1.094 171 F CA -1.157 56.861 58.000 0.030 0.000 0.923 171 F CB 1.592 40.573 39.000 -0.031 0.000 1.230 171 F HN 0.282 nan 8.300 nan 0.000 0.450 172 D N 2.726 123.256 120.400 0.217 0.000 2.316 172 D HA 0.262 4.910 4.640 0.013 0.000 0.245 172 D C 0.288 176.730 176.300 0.236 0.000 1.171 172 D CA 0.156 54.268 54.000 0.187 0.000 0.856 172 D CB 0.964 41.858 40.800 0.155 0.000 1.090 172 D HN 0.576 nan 8.370 nan 0.000 0.476 173 L N 2.728 124.096 121.223 0.241 0.000 2.607 173 L HA 0.046 4.393 4.340 0.013 0.000 0.228 173 L C 2.106 179.213 176.870 0.396 0.000 1.123 173 L CA -0.230 54.798 54.840 0.313 0.000 0.890 173 L CB -0.059 42.140 42.059 0.233 0.000 1.103 173 L HN 0.273 nan 8.230 nan 0.000 0.468 174 S N 1.672 117.549 115.700 0.295 0.000 2.380 174 S HA -0.305 4.172 4.470 0.013 0.000 0.229 174 S C 2.030 176.744 174.600 0.189 0.000 1.050 174 S CA 2.009 60.341 58.200 0.221 0.000 1.100 174 S CB -0.246 63.044 63.200 0.150 0.000 0.984 174 S HN 0.570 nan 8.310 nan 0.000 0.434 175 A N -0.662 122.257 122.820 0.165 0.000 2.235 175 A HA 0.286 4.614 4.320 0.013 0.000 0.208 175 A C 1.221 178.722 177.584 -0.137 0.000 1.172 175 A CA 0.444 52.462 52.037 -0.030 0.000 0.786 175 A CB -0.496 18.391 19.000 -0.189 0.000 0.804 175 A HN 0.480 nan 8.150 nan 0.000 0.479 176 F N -1.008 118.983 119.950 0.070 0.000 2.724 176 F HA 0.382 4.916 4.527 0.013 0.000 0.306 176 F C 0.606 176.436 175.800 0.050 0.000 1.100 176 F CA -0.129 57.909 58.000 0.062 0.000 1.255 176 F CB 0.205 39.250 39.000 0.075 0.000 1.072 176 F HN -0.015 nan 8.300 nan 0.000 0.589 177 L N 0.932 122.287 121.223 0.220 0.000 2.400 177 L HA 0.537 4.885 4.340 0.013 0.000 0.264 177 L C 0.294 177.192 176.870 0.048 0.000 1.061 177 L CA -0.904 54.009 54.840 0.120 0.000 0.799 177 L CB 1.153 43.290 42.059 0.131 0.000 1.240 177 L HN -0.037 nan 8.230 nan 0.000 0.461 178 R N 1.008 121.496 120.500 -0.019 0.000 2.912 178 R HA 0.786 5.134 4.340 0.013 0.000 0.262 178 R C -1.103 175.162 176.300 -0.058 0.000 1.057 178 R CA -0.805 55.277 56.100 -0.030 0.000 0.981 178 R CB 1.637 31.912 30.300 -0.041 0.000 1.201 178 R HN 0.565 nan 8.270 nan 0.000 0.484 179 A N 0.817 123.612 122.820 -0.042 0.000 2.488 179 A HA 0.512 4.840 4.320 0.013 0.000 0.249 179 A C 0.938 178.471 177.584 -0.086 0.000 1.083 179 A CA 0.944 52.949 52.037 -0.054 0.000 0.768 179 A CB -0.544 18.438 19.000 -0.031 0.000 1.017 179 A HN 1.348 nan 8.150 nan 0.000 0.496 180 G N 1.627 110.358 108.800 -0.115 0.000 2.513 180 G HA2 -0.115 3.853 3.960 0.013 0.000 0.227 180 G HA3 -0.115 3.853 3.960 0.013 0.000 0.227 180 G C -0.380 174.402 174.900 -0.196 0.000 1.176 180 G CA -0.135 44.888 45.100 -0.129 0.000 0.967 180 G HN 0.877 nan 8.290 nan 0.000 0.587 181 E N 2.193 122.286 120.200 -0.179 0.000 2.338 181 E HA 0.364 4.722 4.350 0.013 0.000 0.272 181 E C 0.173 176.588 176.600 -0.308 0.000 1.029 181 E CA 0.054 56.312 56.400 -0.237 0.000 0.872 181 E CB 0.603 30.209 29.700 -0.157 0.000 1.015 181 E HN 0.498 nan 8.360 nan 0.000 0.417 182 N N 2.048 120.437 118.700 -0.519 0.000 2.357 182 N HA 0.460 5.207 4.740 0.013 0.000 0.284 182 N C -0.774 174.475 175.510 -0.435 0.000 1.236 182 N CA -0.763 51.961 53.050 -0.544 0.000 0.774 182 N CB 2.485 40.535 38.487 -0.729 0.000 1.534 182 N HN 0.180 nan 8.380 nan 0.000 0.478 183 R N 1.354 121.770 120.500 -0.141 0.000 2.502 183 R HA 0.491 4.839 4.340 0.013 0.000 0.300 183 R C -1.537 174.834 176.300 0.119 0.000 0.984 183 R CA -0.386 55.723 56.100 0.015 0.000 0.882 183 R CB 0.834 31.106 30.300 -0.046 0.000 1.180 183 R HN 0.493 nan 8.270 nan 0.000 0.444 184 L N 2.811 124.145 121.223 0.184 0.000 2.344 184 L HA 0.883 5.231 4.340 0.013 0.000 0.272 184 L C -0.264 176.681 176.870 0.125 0.000 1.035 184 L CA -1.157 53.793 54.840 0.184 0.000 0.807 184 L CB 2.048 44.227 42.059 0.201 0.000 1.237 184 L HN 0.779 nan 8.230 nan 0.000 0.442 185 A N 1.950 124.863 122.820 0.154 0.000 2.381 185 A HA 0.772 5.100 4.320 0.013 0.000 0.299 185 A C -1.143 176.748 177.584 0.513 0.000 1.049 185 A CA -0.462 51.616 52.037 0.067 0.000 0.715 185 A CB 1.586 20.073 19.000 -0.854 0.000 1.222 185 A HN 0.365 nan 8.150 nan 0.000 0.428 186 V N 3.167 123.547 119.914 0.777 0.000 2.483 186 V HA 0.489 4.617 4.120 0.013 0.000 0.297 186 V C -0.128 176.492 176.094 0.878 0.000 1.027 186 V CA -0.300 62.439 62.300 0.733 0.000 0.855 186 V CB 1.552 33.622 31.823 0.413 0.000 0.995 186 V HN 0.973 nan 8.190 nan 0.000 0.424 187 M N 6.035 126.165 119.600 0.883 0.000 2.061 187 M HA 0.587 5.075 4.480 0.013 0.000 0.346 187 M C -1.467 175.082 176.300 0.416 0.000 1.112 187 M CA -0.291 55.351 55.300 0.570 0.000 1.021 187 M CB 1.073 34.048 32.600 0.626 0.000 1.530 187 M HN 0.476 nan 8.290 nan 0.000 0.437 188 V N 6.792 126.920 119.914 0.356 0.000 2.394 188 V HA 0.393 4.521 4.120 0.013 0.000 0.282 188 V C -0.129 176.117 176.094 0.254 0.000 1.031 188 V CA -0.690 61.817 62.300 0.346 0.000 0.881 188 V CB 1.554 33.682 31.823 0.508 0.000 0.982 188 V HN 0.806 nan 8.190 nan 0.000 0.451 189 L N 5.040 126.330 121.223 0.113 0.000 2.292 189 L HA 0.501 4.849 4.340 0.013 0.000 0.284 189 L C 1.567 178.433 176.870 -0.006 0.000 1.065 189 L CA -0.269 54.558 54.840 -0.023 0.000 0.806 189 L CB 0.989 42.912 42.059 -0.226 0.000 1.175 189 L HN 0.632 nan 8.230 nan 0.000 0.431 190 R N 2.747 123.209 120.500 -0.063 0.000 2.075 190 R HA -0.046 4.302 4.340 0.013 0.000 0.232 190 R C -0.424 175.535 176.300 -0.569 0.000 1.126 190 R CA 1.221 57.057 56.100 -0.441 0.000 0.963 190 R CB 0.252 30.139 30.300 -0.688 0.000 0.858 190 R HN 0.566 nan 8.270 nan 0.000 0.435 191 W N 0.002 121.357 121.300 0.090 0.000 2.666 191 W HA 0.401 5.069 4.660 0.013 0.000 0.334 191 W C -0.370 176.257 176.519 0.179 0.000 1.051 191 W CA -0.817 56.593 57.345 0.109 0.000 1.224 191 W CB 1.821 31.351 29.460 0.116 0.000 1.405 191 W HN -0.029 nan 8.180 nan 0.000 0.513 192 S N -1.002 114.976 115.700 0.465 0.000 2.656 192 S HA 0.249 4.726 4.470 0.013 0.000 0.273 192 S C 0.112 174.970 174.600 0.430 0.000 1.168 192 S CA -0.476 58.009 58.200 0.475 0.000 0.817 192 S CB 1.240 64.681 63.200 0.402 0.000 1.146 192 S HN 0.629 nan 8.310 nan 0.000 0.475 193 D N 0.229 120.881 120.400 0.420 0.000 2.309 193 D HA 0.078 4.726 4.640 0.013 0.000 0.212 193 D C 1.689 178.290 176.300 0.501 0.000 0.968 193 D CA 1.049 55.337 54.000 0.481 0.000 0.882 193 D CB -0.610 40.342 40.800 0.254 0.000 0.918 193 D HN 0.692 nan 8.370 nan 0.000 0.503 194 G N 0.107 109.126 108.800 0.366 0.000 2.509 194 G HA2 -0.220 3.748 3.960 0.013 0.000 0.218 194 G HA3 -0.220 3.748 3.960 0.013 0.000 0.218 194 G C 1.632 176.721 174.900 0.315 0.000 1.124 194 G CA 0.574 45.869 45.100 0.324 0.000 0.776 194 G HN 0.304 nan 8.290 nan 0.000 0.547 195 S N 0.065 115.941 115.700 0.292 0.000 2.419 195 S HA -0.112 4.366 4.470 0.013 0.000 0.233 195 S C 1.877 176.578 174.600 0.168 0.000 1.016 195 S CA 0.674 59.013 58.200 0.232 0.000 0.974 195 S CB -0.419 62.953 63.200 0.285 0.000 0.786 195 S HN 0.534 nan 8.310 nan 0.000 0.492 196 Y N 1.288 121.714 120.300 0.211 0.000 2.403 196 Y HA 0.051 4.609 4.550 0.013 0.000 0.291 196 Y C 1.560 177.564 175.900 0.173 0.000 1.143 196 Y CA 0.693 58.834 58.100 0.068 0.000 1.257 196 Y CB -0.242 38.124 38.460 -0.157 0.000 0.984 196 Y HN 0.198 nan 8.280 nan 0.000 0.550 197 L N -0.130 121.285 121.223 0.319 0.000 2.741 197 L HA 0.150 4.498 4.340 0.013 0.000 0.237 197 L C -0.031 176.982 176.870 0.238 0.000 1.178 197 L CA 0.381 55.368 54.840 0.245 0.000 0.973 197 L CB 0.052 42.260 42.059 0.248 0.000 1.255 197 L HN 0.140 nan 8.230 nan 0.000 0.498 198 E N -0.087 120.267 120.200 0.257 0.000 4.044 198 E HA 0.035 4.393 4.350 0.013 0.000 0.216 198 E C -0.456 176.260 176.600 0.192 0.000 1.104 198 E CA -0.060 56.474 56.400 0.223 0.000 1.383 198 E CB 0.567 30.390 29.700 0.204 0.000 1.195 198 E HN 0.033 nan 8.360 nan 0.000 0.442 199 D N 1.061 121.537 120.400 0.127 0.000 2.538 199 D HA 0.023 4.671 4.640 0.013 0.000 0.234 199 D C -0.155 176.143 176.300 -0.003 0.000 1.191 199 D CA -0.035 53.928 54.000 -0.061 0.000 0.828 199 D CB 0.157 40.657 40.800 -0.500 0.000 0.981 199 D HN 0.099 nan 8.370 nan 0.000 0.490 200 Q N 0.470 120.360 119.800 0.150 0.000 2.395 200 Q HA 0.084 4.431 4.340 0.013 0.000 0.271 200 Q C -0.075 176.041 176.000 0.193 0.000 1.026 200 Q CA 0.189 56.145 55.803 0.256 0.000 0.900 200 Q CB 0.571 29.608 28.738 0.499 0.000 1.266 200 Q HN 0.055 nan 8.270 nan 0.000 0.430 201 D N 3.205 123.742 120.400 0.229 0.000 2.455 201 D HA 0.178 4.825 4.640 0.013 0.000 0.234 201 D C -0.818 175.621 176.300 0.232 0.000 1.224 201 D CA 0.128 54.238 54.000 0.183 0.000 0.999 201 D CB -0.409 40.488 40.800 0.162 0.000 1.072 201 D HN 0.484 nan 8.370 nan 0.000 0.514 202 M N 0.215 119.922 119.600 0.177 0.000 3.084 202 M HA 0.412 4.900 4.480 0.013 0.000 0.273 202 M C -1.256 175.137 176.300 0.154 0.000 1.242 202 M CA -1.203 54.127 55.300 0.049 0.000 0.819 202 M CB 1.063 33.603 32.600 -0.099 0.000 1.625 202 M HN -0.096 nan 8.290 nan 0.000 0.493 203 W N 2.029 123.391 121.300 0.104 0.000 2.223 203 W HA 0.308 4.976 4.660 0.013 0.000 0.334 203 W C 0.213 176.748 176.519 0.027 0.000 1.334 203 W CA -0.058 57.349 57.345 0.102 0.000 1.246 203 W CB 0.370 29.824 29.460 -0.009 0.000 1.184 203 W HN 0.273 nan 8.180 nan 0.000 0.563 204 R N 4.961 125.646 120.500 0.307 0.000 2.196 204 R HA 0.413 4.761 4.340 0.013 0.000 0.340 204 R C -0.077 176.234 176.300 0.019 0.000 1.043 204 R CA -0.169 56.027 56.100 0.159 0.000 0.883 204 R CB 0.107 30.576 30.300 0.280 0.000 1.078 204 R HN 0.566 nan 8.270 nan 0.000 0.462 205 M N 0.186 119.677 119.600 -0.181 0.000 2.752 205 M HA 0.544 5.032 4.480 0.013 0.000 0.285 205 M C -0.092 175.859 176.300 -0.582 0.000 1.140 205 M CA -0.870 54.207 55.300 -0.371 0.000 0.767 205 M CB 2.177 34.555 32.600 -0.368 0.000 1.736 205 M HN 0.637 nan 8.290 nan 0.000 0.452 206 S N -1.271 113.973 115.700 -0.760 0.000 2.615 206 S HA 0.906 5.384 4.470 0.013 0.000 0.268 206 S C -0.652 173.447 174.600 -0.836 0.000 1.146 206 S CA -0.184 57.495 58.200 -0.868 0.000 0.818 206 S CB 1.591 64.131 63.200 -1.100 0.000 1.111 206 S HN 1.572 nan 8.310 nan 0.000 0.465 207 G N 0.026 108.553 108.800 -0.456 0.000 2.331 207 G HA2 0.179 4.146 3.960 0.013 0.000 0.402 207 G HA3 0.179 4.146 3.960 0.013 0.000 0.402 207 G C -1.419 173.456 174.900 -0.041 0.000 1.275 207 G CA -0.582 44.514 45.100 -0.007 0.000 1.003 207 G HN 1.211 nan 8.290 nan 0.000 0.500 208 I N 2.160 122.548 120.570 -0.303 0.000 2.268 208 I HA 0.262 4.440 4.170 0.013 0.000 0.290 208 I C 1.154 177.122 176.117 -0.249 0.000 1.125 208 I CA -0.180 60.844 61.300 -0.459 0.000 1.236 208 I CB -0.262 37.169 38.000 -0.947 0.000 1.469 208 I HN 0.509 nan 8.210 nan 0.000 0.512 209 F N 4.032 123.812 119.950 -0.283 0.000 2.727 209 F HA 0.440 4.975 4.527 0.013 0.000 0.302 209 F C 0.708 176.419 175.800 -0.148 0.000 1.097 209 F CA -0.512 57.362 58.000 -0.211 0.000 1.330 209 F CB 0.115 38.997 39.000 -0.196 0.000 1.084 209 F HN 0.137 nan 8.300 nan 0.000 0.578 210 R N 0.573 120.629 120.500 -0.741 0.000 2.912 210 R HA 0.222 4.570 4.340 0.013 0.000 0.262 210 R C -0.675 175.410 176.300 -0.358 0.000 1.057 210 R CA -1.151 54.625 56.100 -0.541 0.000 0.981 210 R CB 0.910 30.795 30.300 -0.691 0.000 1.201 210 R HN -0.008 nan 8.270 nan 0.000 0.484 211 D N 0.814 121.049 120.400 -0.275 0.000 2.443 211 D HA 0.061 4.709 4.640 0.013 0.000 0.234 211 D C -0.419 175.747 176.300 -0.223 0.000 1.172 211 D CA 0.551 54.434 54.000 -0.196 0.000 0.878 211 D CB 0.631 41.353 40.800 -0.131 0.000 1.204 211 D HN -0.004 nan 8.370 nan 0.000 0.453 212 V N 0.927 120.728 119.914 -0.188 0.000 2.540 212 V HA 0.556 4.684 4.120 0.013 0.000 0.302 212 V C 0.077 176.055 176.094 -0.194 0.000 1.035 212 V CA -0.583 61.555 62.300 -0.271 0.000 0.873 212 V CB 1.645 33.331 31.823 -0.229 0.000 0.992 212 V HN 0.759 nan 8.190 nan 0.000 0.428 213 S N 4.305 119.866 115.700 -0.231 0.000 2.638 213 S HA 0.891 5.369 4.470 0.013 0.000 0.274 213 S C -1.414 173.125 174.600 -0.103 0.000 1.157 213 S CA -0.864 57.262 58.200 -0.123 0.000 0.826 213 S CB 2.189 65.356 63.200 -0.056 0.000 1.139 213 S HN 0.502 nan 8.310 nan 0.000 0.474 214 L N 1.149 122.377 121.223 0.009 0.000 2.385 214 L HA 0.798 5.146 4.340 0.013 0.000 0.273 214 L C -1.574 175.469 176.870 0.287 0.000 0.990 214 L CA -0.685 54.235 54.840 0.133 0.000 0.821 214 L CB 1.661 43.786 42.059 0.110 0.000 1.279 214 L HN 0.840 nan 8.230 nan 0.000 0.412 215 L N 4.259 125.630 121.223 0.248 0.000 2.381 215 L HA 0.495 4.842 4.340 0.013 0.000 0.274 215 L C -1.182 175.692 176.870 0.006 0.000 0.988 215 L CA -0.209 54.707 54.840 0.127 0.000 0.824 215 L CB 1.318 43.417 42.059 0.067 0.000 1.263 215 L HN 0.631 nan 8.230 nan 0.000 0.410 216 H N 5.382 124.215 119.070 -0.396 0.000 2.517 216 H HA 0.462 5.026 4.556 0.013 0.000 0.317 216 H C -1.213 173.899 175.328 -0.359 0.000 1.080 216 H CA -0.506 55.189 56.048 -0.590 0.000 1.301 216 H CB 1.049 29.959 29.762 -1.420 0.000 1.425 216 H HN 0.526 nan 8.280 nan 0.000 0.471 217 K N 5.651 125.617 120.400 -0.724 0.000 2.385 217 K HA 0.363 4.691 4.320 0.013 0.000 0.248 217 K C -2.691 173.630 176.600 -0.464 0.000 0.955 217 K CA -2.042 53.983 56.287 -0.436 0.000 0.816 217 K CB 2.279 34.610 32.500 -0.282 0.000 1.250 217 K HN 0.498 nan 8.250 nan 0.000 0.434 218 P HA 0.107 nan 4.420 nan 0.000 0.272 218 P C 0.527 177.750 177.300 -0.130 0.000 1.240 218 P CA -0.111 62.910 63.100 -0.132 0.000 0.791 218 P CB 0.475 32.139 31.700 -0.060 0.000 0.978 219 T N -0.743 113.765 114.554 -0.078 0.000 2.788 219 T HA -0.044 4.314 4.350 0.013 0.000 0.268 219 T C 0.637 175.300 174.700 -0.062 0.000 1.044 219 T CA 1.620 63.684 62.100 -0.061 0.000 1.139 219 T CB -0.491 68.362 68.868 -0.026 0.000 0.867 219 T HN 0.433 nan 8.240 nan 0.000 0.454 220 T N 3.563 118.085 114.554 -0.053 0.000 2.753 220 T HA 0.475 4.833 4.350 0.013 0.000 0.297 220 T C -0.316 174.339 174.700 -0.075 0.000 0.981 220 T CA -0.631 61.430 62.100 -0.065 0.000 0.956 220 T CB 0.752 69.600 68.868 -0.033 0.000 0.936 220 T HN 0.460 nan 8.240 nan 0.000 0.463 221 Q N 2.470 122.210 119.800 -0.100 0.000 2.626 221 Q HA 0.608 4.956 4.340 0.013 0.000 0.300 221 Q C -1.186 174.753 176.000 -0.103 0.000 0.988 221 Q CA -1.196 54.539 55.803 -0.113 0.000 0.761 221 Q CB 1.313 29.960 28.738 -0.151 0.000 1.494 221 Q HN 0.442 nan 8.270 nan 0.000 0.439 222 I N 2.451 122.941 120.570 -0.134 0.000 2.436 222 I HA 0.033 4.211 4.170 0.013 0.000 0.289 222 I C 0.722 176.776 176.117 -0.106 0.000 1.083 222 I CA 0.039 61.289 61.300 -0.083 0.000 1.372 222 I CB 1.068 38.980 38.000 -0.146 0.000 1.408 222 I HN 0.866 nan 8.210 nan 0.000 0.516 223 S N 2.578 118.316 115.700 0.063 0.000 2.511 223 S HA 0.210 4.687 4.470 0.013 0.000 0.214 223 S C 0.156 174.973 174.600 0.361 0.000 0.997 223 S CA -0.268 58.033 58.200 0.169 0.000 0.908 223 S CB 0.272 63.521 63.200 0.081 0.000 0.803 223 S HN 0.700 nan 8.310 nan 0.000 0.504 224 D N -0.204 120.404 120.400 0.347 0.000 2.683 224 D HA 0.534 5.181 4.640 0.013 0.000 0.246 224 D C -1.851 174.634 176.300 0.309 0.000 1.238 224 D CA -0.707 53.480 54.000 0.311 0.000 0.759 224 D CB 1.670 42.550 40.800 0.133 0.000 1.349 224 D HN 0.207 nan 8.370 nan 0.000 0.426 225 F N -0.599 119.425 119.950 0.122 0.000 2.650 225 F HA 0.629 5.164 4.527 0.013 0.000 0.310 225 F C -1.531 174.348 175.800 0.132 0.000 1.112 225 F CA -0.773 57.234 58.000 0.011 0.000 0.986 225 F CB 1.364 40.403 39.000 0.064 0.000 1.285 225 F HN 0.253 nan 8.300 nan 0.000 0.440 226 H N 1.875 121.001 119.070 0.094 0.000 2.689 226 H HA 0.709 5.273 4.556 0.013 0.000 0.346 226 H C -1.386 173.976 175.328 0.056 0.000 1.037 226 H CA -1.430 54.611 56.048 -0.011 0.000 1.234 226 H CB 2.621 32.364 29.762 -0.031 0.000 1.572 226 H HN 0.617 nan 8.280 nan 0.000 0.524 227 V N 2.498 122.503 119.914 0.152 0.000 2.417 227 V HA 0.647 4.774 4.120 0.013 0.000 0.291 227 V C -0.196 175.892 176.094 -0.009 0.000 1.024 227 V CA -0.483 61.860 62.300 0.072 0.000 0.861 227 V CB 1.293 33.153 31.823 0.061 0.000 0.985 227 V HN 0.921 nan 8.190 nan 0.000 0.436 228 A N 3.427 126.222 122.820 -0.042 0.000 2.380 228 A HA 0.959 5.287 4.320 0.013 0.000 0.315 228 A C -0.124 177.368 177.584 -0.153 0.000 1.101 228 A CA -0.498 51.496 52.037 -0.071 0.000 0.771 228 A CB 1.962 20.938 19.000 -0.039 0.000 1.287 228 A HN 0.915 nan 8.150 nan 0.000 0.436 229 T N -0.650 113.797 114.554 -0.179 0.000 2.890 229 T HA 0.665 5.023 4.350 0.013 0.000 0.295 229 T C -0.505 174.000 174.700 -0.325 0.000 0.993 229 T CA -0.773 61.140 62.100 -0.312 0.000 0.979 229 T CB 0.828 69.416 68.868 -0.467 0.000 0.967 229 T HN 1.025 nan 8.240 nan 0.000 0.441 230 R N 2.054 122.287 120.500 -0.445 0.000 2.778 230 R HA 0.853 5.201 4.340 0.013 0.000 0.277 230 R C -1.628 174.282 176.300 -0.651 0.000 0.977 230 R CA -0.914 54.993 56.100 -0.322 0.000 0.950 230 R CB 1.259 31.491 30.300 -0.114 0.000 1.165 230 R HN 0.453 nan 8.270 nan 0.000 0.474 231 F N 0.405 120.339 119.950 -0.027 0.000 2.631 231 F HA 0.396 4.930 4.527 0.012 0.000 0.328 231 F C 0.173 175.842 175.800 -0.219 0.000 1.067 231 F CA -1.054 56.871 58.000 -0.125 0.000 0.969 231 F CB 1.339 40.148 39.000 -0.318 0.000 1.332 231 F HN 0.701 nan 8.300 nan 0.000 0.490 232 N N -0.019 118.664 118.700 -0.029 0.000 2.413 232 N HA 0.078 4.826 4.740 0.013 0.000 0.266 232 N C 0.407 175.772 175.510 -0.241 0.000 1.238 232 N CA -0.222 52.772 53.050 -0.093 0.000 0.972 232 N CB 0.232 38.693 38.487 -0.044 0.000 1.210 232 N HN 0.677 nan 8.380 nan 0.000 0.547 233 D N -0.612 119.691 120.400 -0.161 0.000 2.149 233 D HA -0.273 4.374 4.640 0.013 0.000 0.194 233 D C 0.139 176.350 176.300 -0.148 0.000 1.001 233 D CA 1.909 55.818 54.000 -0.152 0.000 0.849 233 D CB -0.660 40.112 40.800 -0.047 0.000 0.939 233 D HN 0.778 nan 8.370 nan 0.000 0.449 234 D N -2.318 118.047 120.400 -0.057 0.000 2.462 234 D HA 0.122 4.770 4.640 0.013 0.000 0.221 234 D C 0.073 176.545 176.300 0.287 0.000 1.173 234 D CA -0.831 53.253 54.000 0.140 0.000 0.831 234 D CB -0.814 40.065 40.800 0.132 0.000 1.001 234 D HN 0.186 nan 8.370 nan 0.000 0.499 235 F N -0.000 120.005 119.950 0.092 0.000 2.914 235 F HA -0.315 4.219 4.527 0.012 0.000 0.304 235 F C 1.683 177.561 175.800 0.131 0.000 0.712 235 F CA 0.826 58.895 58.000 0.115 0.000 1.211 235 F CB -2.427 36.537 39.000 -0.059 0.000 1.515 235 F HN 0.237 nan 8.300 nan 0.000 0.350 236 S N -0.916 114.901 115.700 0.195 0.000 2.562 236 S HA 0.222 4.700 4.470 0.013 0.000 0.221 236 S C 0.662 175.318 174.600 0.094 0.000 0.975 236 S CA 0.087 58.366 58.200 0.132 0.000 0.918 236 S CB 0.327 63.578 63.200 0.085 0.000 0.772 236 S HN 0.417 nan 8.310 nan 0.000 0.531 237 R N -0.008 120.555 120.500 0.106 0.000 2.626 237 R HA 0.761 5.109 4.340 0.013 0.000 0.274 237 R C -1.397 174.923 176.300 0.034 0.000 1.031 237 R CA -0.284 55.839 56.100 0.037 0.000 0.898 237 R CB 2.213 32.511 30.300 -0.004 0.000 1.222 237 R HN 0.239 nan 8.270 nan 0.000 0.455 238 A N 1.501 124.275 122.820 -0.077 0.000 2.527 238 A HA 0.773 5.100 4.320 0.013 0.000 0.293 238 A C -1.284 176.210 177.584 -0.150 0.000 1.117 238 A CA -0.632 51.276 52.037 -0.215 0.000 0.723 238 A CB 2.148 20.980 19.000 -0.279 0.000 1.313 238 A HN 0.306 nan 8.150 nan 0.000 0.411 239 V N 1.231 121.040 119.914 -0.176 0.000 2.444 239 V HA 0.422 4.550 4.120 0.013 0.000 0.294 239 V C -0.557 175.483 176.094 -0.090 0.000 1.022 239 V CA -0.339 61.899 62.300 -0.102 0.000 0.850 239 V CB 1.367 33.132 31.823 -0.098 0.000 0.992 239 V HN 0.794 nan 8.190 nan 0.000 0.426 240 L N 4.611 125.816 121.223 -0.030 0.000 2.265 240 L HA 0.581 4.929 4.340 0.013 0.000 0.288 240 L C 0.017 176.847 176.870 -0.067 0.000 1.058 240 L CA 0.167 54.968 54.840 -0.065 0.000 0.809 240 L CB 0.965 43.010 42.059 -0.023 0.000 1.179 240 L HN 0.733 nan 8.230 nan 0.000 0.429 241 E N 3.992 124.147 120.200 -0.074 0.000 2.176 241 E HA 0.664 5.022 4.350 0.013 0.000 0.267 241 E C -1.344 175.244 176.600 -0.021 0.000 0.893 241 E CA -0.770 55.603 56.400 -0.046 0.000 0.761 241 E CB 1.739 31.413 29.700 -0.043 0.000 1.133 241 E HN 0.713 nan 8.360 nan 0.000 0.409 242 A N 4.415 127.229 122.820 -0.010 0.000 2.311 242 A HA 0.305 4.632 4.320 0.013 0.000 0.306 242 A C -0.707 176.881 177.584 0.006 0.000 1.189 242 A CA -0.640 51.413 52.037 0.026 0.000 0.791 242 A CB 1.032 20.049 19.000 0.028 0.000 1.172 242 A HN 0.698 nan 8.150 nan 0.000 0.481 243 E N 2.599 122.803 120.200 0.007 0.000 2.174 243 E HA 0.551 4.908 4.350 0.013 0.000 0.282 243 E C -1.386 175.169 176.600 -0.076 0.000 0.992 243 E CA -0.368 55.991 56.400 -0.069 0.000 0.803 243 E CB 1.201 30.825 29.700 -0.127 0.000 1.090 243 E HN 0.371 nan 8.360 nan 0.000 0.396 244 V N 4.872 124.759 119.914 -0.043 0.000 2.540 244 V HA 0.280 4.408 4.120 0.013 0.000 0.302 244 V C -0.469 175.688 176.094 0.105 0.000 1.035 244 V CA -0.795 61.531 62.300 0.043 0.000 0.873 244 V CB 1.696 33.530 31.823 0.017 0.000 0.992 244 V HN 0.738 nan 8.190 nan 0.000 0.428 245 Q N 4.275 124.146 119.800 0.117 0.000 2.348 245 Q HA 0.852 5.200 4.340 0.013 0.000 0.271 245 Q C -0.851 175.229 176.000 0.134 0.000 1.067 245 Q CA -0.924 54.957 55.803 0.130 0.000 0.839 245 Q CB 2.720 31.467 28.738 0.015 0.000 1.354 245 Q HN 0.806 nan 8.270 nan 0.000 0.447 246 M N -1.011 118.591 119.600 0.004 0.000 2.690 246 M HA 0.759 5.247 4.480 0.013 0.000 0.302 246 M C -1.307 174.909 176.300 -0.140 0.000 1.234 246 M CA -0.496 54.721 55.300 -0.138 0.000 0.853 246 M CB 1.711 34.040 32.600 -0.452 0.000 1.748 246 M HN 0.527 nan 8.290 nan 0.000 0.469 247 C N 0.759 119.986 119.300 -0.123 0.000 2.707 247 C HA 1.032 5.500 4.460 0.013 0.000 0.313 247 C C 0.574 175.493 174.990 -0.118 0.000 1.209 247 C CA 0.621 59.582 59.018 -0.094 0.000 1.635 247 C CB 1.054 28.764 27.740 -0.049 0.000 2.206 247 C HN 1.391 nan 8.230 nan 0.000 0.485 248 G N 2.077 110.817 108.800 -0.100 0.000 2.409 248 G HA2 0.085 4.052 3.960 0.013 0.000 0.421 248 G HA3 0.085 4.052 3.960 0.013 0.000 0.421 248 G C -1.208 173.630 174.900 -0.104 0.000 1.259 248 G CA -0.710 44.336 45.100 -0.089 0.000 1.011 248 G HN 0.630 nan 8.290 nan 0.000 0.497 249 E N 0.406 120.558 120.200 -0.081 0.000 2.328 249 E HA 0.397 4.755 4.350 0.013 0.000 0.265 249 E C 0.481 176.994 176.600 -0.145 0.000 1.057 249 E CA -0.139 56.214 56.400 -0.079 0.000 0.916 249 E CB 0.541 30.226 29.700 -0.025 0.000 0.993 249 E HN 0.477 nan 8.360 nan 0.000 0.446 250 L N 5.749 126.873 121.223 -0.164 0.000 2.290 250 L HA 0.363 4.711 4.340 0.013 0.000 0.284 250 L C 0.370 177.109 176.870 -0.219 0.000 1.078 250 L CA -0.117 54.586 54.840 -0.228 0.000 0.815 250 L CB 0.340 42.288 42.059 -0.186 0.000 1.162 250 L HN 0.388 nan 8.230 nan 0.000 0.435 251 R N 1.686 121.984 120.500 -0.337 0.000 2.710 251 R HA 0.196 4.544 4.340 0.013 0.000 0.270 251 R C -0.240 175.784 176.300 -0.460 0.000 1.021 251 R CA -0.774 55.078 56.100 -0.413 0.000 0.889 251 R CB 1.179 31.125 30.300 -0.590 0.000 1.243 251 R HN 0.585 nan 8.270 nan 0.000 0.464 252 D N 1.009 121.239 120.400 -0.283 0.000 2.263 252 D HA -0.203 4.445 4.640 0.013 0.000 0.208 252 D C 1.383 177.618 176.300 -0.109 0.000 0.971 252 D CA 1.452 55.366 54.000 -0.142 0.000 0.867 252 D CB -0.339 40.436 40.800 -0.042 0.000 0.929 252 D HN 0.699 nan 8.370 nan 0.000 0.492 253 Y N -0.014 120.301 120.300 0.025 0.000 2.561 253 Y HA 0.301 4.859 4.550 0.013 0.000 0.291 253 Y C 0.952 176.863 175.900 0.019 0.000 1.141 253 Y CA -0.746 57.366 58.100 0.021 0.000 1.303 253 Y CB -0.793 37.678 38.460 0.020 0.000 1.015 253 Y HN -0.165 nan 8.280 nan 0.000 0.547 254 L N 2.950 124.059 121.223 -0.191 0.000 2.456 254 L HA 0.246 4.594 4.340 0.013 0.000 0.272 254 L C 0.175 177.052 176.870 0.012 0.000 1.189 254 L CA 0.142 54.986 54.840 0.007 0.000 0.846 254 L CB 0.449 42.511 42.059 0.006 0.000 1.111 254 L HN 0.234 nan 8.230 nan 0.000 0.475 255 R N 2.232 122.646 120.500 -0.143 0.000 2.774 255 R HA 0.675 5.022 4.340 0.013 0.000 0.272 255 R C -1.526 174.452 176.300 -0.536 0.000 1.000 255 R CA -0.788 55.071 56.100 -0.402 0.000 0.906 255 R CB 2.221 32.120 30.300 -0.668 0.000 1.227 255 R HN 0.264 nan 8.270 nan 0.000 0.468 256 V N 0.802 120.433 119.914 -0.471 0.000 2.656 256 V HA 0.523 4.651 4.120 0.013 0.000 0.307 256 V C -0.353 175.689 176.094 -0.087 0.000 1.051 256 V CA -0.561 61.565 62.300 -0.291 0.000 0.893 256 V CB 2.343 33.949 31.823 -0.362 0.000 0.999 256 V HN 0.727 nan 8.190 nan 0.000 0.426 257 T N 3.651 118.265 114.554 0.100 0.000 2.841 257 T HA 0.585 4.943 4.350 0.013 0.000 0.285 257 T C -0.761 173.960 174.700 0.035 0.000 0.991 257 T CA -0.341 61.829 62.100 0.117 0.000 0.966 257 T CB 1.643 70.626 68.868 0.192 0.000 0.962 257 T HN 0.343 nan 8.240 nan 0.000 0.438 258 V N 4.124 124.038 119.914 -0.001 0.000 2.378 258 V HA 0.647 4.775 4.120 0.013 0.000 0.288 258 V C 0.020 176.117 176.094 0.005 0.000 1.016 258 V CA -0.723 61.571 62.300 -0.010 0.000 0.840 258 V CB 1.484 33.288 31.823 -0.032 0.000 0.994 258 V HN 1.032 nan 8.190 nan 0.000 0.431 259 S N 5.461 121.192 115.700 0.052 0.000 2.536 259 S HA 0.871 5.349 4.470 0.013 0.000 0.298 259 S C -1.094 173.542 174.600 0.059 0.000 1.083 259 S CA -0.782 57.431 58.200 0.020 0.000 0.995 259 S CB 2.212 65.471 63.200 0.099 0.000 1.058 259 S HN 0.524 nan 8.310 nan 0.000 0.488 260 L N 2.245 123.398 121.223 -0.116 0.000 2.341 260 L HA 0.803 5.151 4.340 0.013 0.000 0.278 260 L C -1.961 174.789 176.870 -0.200 0.000 1.005 260 L CA -0.286 54.559 54.840 0.007 0.000 0.818 260 L CB 1.023 43.097 42.059 0.024 0.000 1.259 260 L HN 0.897 nan 8.230 nan 0.000 0.418 261 W N 3.204 124.608 121.300 0.173 0.000 2.761 261 W HA 0.623 5.291 4.660 0.013 0.000 0.340 261 W C -0.731 175.895 176.519 0.178 0.000 1.072 261 W CA -0.523 56.906 57.345 0.141 0.000 1.215 261 W CB 1.579 31.071 29.460 0.054 0.000 1.420 261 W HN 0.420 nan 8.180 nan 0.000 0.519 262 Q N 2.209 122.183 119.800 0.290 0.000 2.413 262 Q HA 0.539 4.887 4.340 0.013 0.000 0.258 262 Q C 0.584 176.642 176.000 0.097 0.000 1.037 262 Q CA 0.569 56.400 55.803 0.047 0.000 0.764 262 Q CB 0.740 29.446 28.738 -0.052 0.000 1.217 262 Q HN 0.758 nan 8.270 nan 0.000 0.490 263 G N 3.083 111.934 108.800 0.084 0.000 2.574 263 G HA2 -0.363 3.605 3.960 0.013 0.000 0.286 263 G HA3 -0.363 3.605 3.960 0.013 0.000 0.286 263 G C 0.266 175.259 174.900 0.154 0.000 1.212 263 G CA 0.318 45.462 45.100 0.074 0.000 0.979 263 G HN 0.680 nan 8.290 nan 0.000 0.557 264 E N 0.754 121.033 120.200 0.131 0.000 2.445 264 E HA 0.233 4.591 4.350 0.013 0.000 0.189 264 E C 0.265 177.097 176.600 0.387 0.000 1.069 264 E CA 0.499 57.014 56.400 0.192 0.000 0.871 264 E CB 0.180 29.929 29.700 0.083 0.000 0.991 264 E HN 0.332 nan 8.360 nan 0.000 0.481 265 T N 1.305 116.054 114.554 0.325 0.000 2.767 265 T HA 0.105 4.463 4.350 0.013 0.000 0.284 265 T C -0.274 174.436 174.700 0.016 0.000 0.973 265 T CA -0.508 61.701 62.100 0.182 0.000 0.996 265 T CB 1.521 70.429 68.868 0.067 0.000 0.927 265 T HN 0.061 nan 8.240 nan 0.000 0.456 266 Q N 2.815 122.329 119.800 -0.477 0.000 2.296 266 Q HA 0.279 4.627 4.340 0.013 0.000 0.262 266 Q C 0.925 176.626 176.000 -0.499 0.000 0.981 266 Q CA -0.411 54.702 55.803 -1.151 0.000 0.905 266 Q CB 0.813 28.522 28.738 -1.715 0.000 1.186 266 Q HN 0.690 nan 8.270 nan 0.000 0.399 267 V N 1.031 120.729 119.914 -0.361 0.000 3.431 267 V HA 0.612 4.740 4.120 0.013 0.000 0.253 267 V C 0.206 176.199 176.094 -0.167 0.000 1.184 267 V CA 0.811 63.013 62.300 -0.164 0.000 1.104 267 V CB 0.206 32.029 31.823 -0.002 0.000 0.799 267 V HN 0.680 nan 8.190 nan 0.000 0.462 268 A N -0.641 122.050 122.820 -0.215 0.000 2.601 268 A HA 0.828 5.156 4.320 0.013 0.000 0.291 268 A C -0.647 176.833 177.584 -0.173 0.000 1.075 268 A CA 0.202 52.145 52.037 -0.158 0.000 0.671 268 A CB 1.421 20.354 19.000 -0.111 0.000 1.277 268 A HN 1.000 nan 8.150 nan 0.000 0.417 269 S N -0.974 114.652 115.700 -0.122 0.000 2.543 269 S HA 0.755 5.233 4.470 0.013 0.000 0.274 269 S C -0.614 173.948 174.600 -0.063 0.000 1.149 269 S CA 0.262 58.404 58.200 -0.097 0.000 0.866 269 S CB 1.469 64.601 63.200 -0.114 0.000 1.111 269 S HN 2.382 nan 8.310 nan 0.000 0.457 270 G N 1.534 110.308 108.800 -0.043 0.000 2.667 270 G HA2 0.674 4.642 3.960 0.013 0.000 0.298 270 G HA3 0.674 4.642 3.960 0.013 0.000 0.298 270 G C -1.377 173.510 174.900 -0.022 0.000 1.377 270 G CA -0.445 44.633 45.100 -0.037 0.000 0.964 270 G HN 0.729 nan 8.290 nan 0.000 0.493 271 T N -0.192 114.351 114.554 -0.018 0.000 2.893 271 T HA 0.846 5.204 4.350 0.013 0.000 0.293 271 T C -0.340 174.328 174.700 -0.052 0.000 1.027 271 T CA 0.012 62.109 62.100 -0.006 0.000 0.988 271 T CB 1.791 70.692 68.868 0.055 0.000 1.043 271 T HN 1.547 nan 8.240 nan 0.000 0.461 272 A N 3.524 126.277 122.820 -0.112 0.000 2.608 272 A HA 0.905 5.232 4.320 0.013 0.000 0.292 272 A C -3.124 174.330 177.584 -0.216 0.000 1.066 272 A CA -1.501 50.456 52.037 -0.135 0.000 0.676 272 A CB 1.271 20.189 19.000 -0.135 0.000 1.277 272 A HN 0.528 nan 8.150 nan 0.000 0.413 273 P HA 0.545 nan 4.420 nan 0.000 0.278 273 P C -0.600 176.573 177.300 -0.210 0.000 1.266 273 P CA -0.286 62.724 63.100 -0.150 0.000 0.807 273 P CB 0.416 32.085 31.700 -0.052 0.000 1.094 274 F N -0.107 119.792 119.950 -0.085 0.000 2.444 274 F HA 0.460 4.994 4.527 0.013 0.000 0.331 274 F C 1.479 177.253 175.800 -0.043 0.000 1.167 274 F CA 1.592 59.554 58.000 -0.064 0.000 1.262 274 F CB 0.194 39.149 39.000 -0.075 0.000 1.196 274 F HN 0.581 nan 8.300 nan 0.000 0.583 275 G N 1.473 110.376 108.800 0.172 0.000 2.789 275 G HA2 0.358 4.325 3.960 0.013 0.000 0.353 275 G HA3 0.358 4.325 3.960 0.013 0.000 0.353 275 G C -0.458 174.485 174.900 0.071 0.000 1.220 275 G CA -0.735 44.430 45.100 0.108 0.000 1.204 275 G HN 1.034 nan 8.290 nan 0.000 0.574 276 G N 0.994 109.858 108.800 0.106 0.000 2.588 276 G HA2 0.664 4.632 3.960 0.013 0.000 0.281 276 G HA3 0.664 4.632 3.960 0.013 0.000 0.281 276 G C 0.495 175.432 174.900 0.062 0.000 1.236 276 G CA -0.073 45.078 45.100 0.084 0.000 0.969 276 G HN 0.945 nan 8.290 nan 0.000 0.504 277 E N -0.410 119.820 120.200 0.050 0.000 2.422 277 E HA 0.036 4.393 4.350 0.013 0.000 0.260 277 E C 0.153 176.778 176.600 0.041 0.000 1.108 277 E CA -0.251 56.170 56.400 0.035 0.000 0.943 277 E CB 0.902 30.619 29.700 0.028 0.000 0.961 277 E HN 0.297 nan 8.360 nan 0.000 0.443 278 I N 1.857 122.440 120.570 0.022 0.000 2.648 278 I HA -0.074 4.104 4.170 0.013 0.000 0.284 278 I C 1.473 177.603 176.117 0.020 0.000 1.153 278 I CA 0.253 61.560 61.300 0.012 0.000 1.426 278 I CB 0.277 38.278 38.000 0.002 0.000 1.381 278 I HN 0.583 nan 8.210 nan 0.000 0.571 279 I N 1.314 121.893 120.570 0.015 0.000 4.032 279 I HA 0.270 4.448 4.170 0.013 0.000 0.313 279 I C -0.115 176.007 176.117 0.009 0.000 1.272 279 I CA 0.030 61.347 61.300 0.029 0.000 1.307 279 I CB 0.488 38.534 38.000 0.076 0.000 1.155 279 I HN 0.610 nan 8.210 nan 0.000 0.431 280 D N -0.352 120.040 120.400 -0.013 0.000 2.825 280 D HA 0.184 4.832 4.640 0.013 0.000 0.327 280 D C 0.209 176.495 176.300 -0.022 0.000 1.277 280 D CA -0.541 53.450 54.000 -0.014 0.000 0.950 280 D CB 0.530 41.321 40.800 -0.015 0.000 1.438 280 D HN -0.123 nan 8.370 nan 0.000 0.526 281 E N -1.116 119.073 120.200 -0.019 0.000 2.333 281 E HA -0.026 4.331 4.350 0.013 0.000 0.198 281 E C 1.231 177.814 176.600 -0.029 0.000 1.007 281 E CA 0.856 57.244 56.400 -0.020 0.000 0.845 281 E CB 0.010 29.701 29.700 -0.015 0.000 0.766 281 E HN 0.206 nan 8.360 nan 0.000 0.507 282 R N -0.478 119.997 120.500 -0.043 0.000 2.334 282 R HA 0.303 4.651 4.340 0.013 0.000 0.216 282 R C 0.815 177.074 176.300 -0.068 0.000 0.905 282 R CA 0.681 56.748 56.100 -0.055 0.000 1.064 282 R CB 0.812 31.072 30.300 -0.066 0.000 1.046 282 R HN 0.195 nan 8.270 nan 0.000 0.508 283 G N -0.494 108.268 108.800 -0.063 0.000 2.341 283 G HA2 -0.077 3.891 3.960 0.013 0.000 0.196 283 G HA3 -0.077 3.891 3.960 0.013 0.000 0.196 283 G C -0.347 174.504 174.900 -0.083 0.000 1.231 283 G CA -0.630 44.432 45.100 -0.064 0.000 1.155 283 G HN 0.441 nan 8.290 nan 0.000 0.529 284 G N -1.981 106.766 108.800 -0.088 0.000 3.105 284 G HA2 0.638 4.606 3.960 0.013 0.000 0.277 284 G HA3 0.638 4.606 3.960 0.013 0.000 0.277 284 G C -1.569 173.236 174.900 -0.159 0.000 1.375 284 G CA -0.747 44.309 45.100 -0.074 0.000 0.962 284 G HN 0.752 nan 8.290 nan 0.000 0.541 285 Y N 1.074 121.385 120.300 0.018 0.000 2.504 285 Y HA 0.412 4.970 4.550 0.012 0.000 0.351 285 Y C 1.461 177.384 175.900 0.037 0.000 0.988 285 Y CA 0.176 58.291 58.100 0.024 0.000 1.239 285 Y CB 1.612 40.092 38.460 0.033 0.000 1.128 285 Y HN 0.544 nan 8.280 nan 0.000 0.525 286 A N 1.790 124.671 122.820 0.102 0.000 2.066 286 A HA -0.140 4.188 4.320 0.013 0.000 0.218 286 A C 1.471 179.128 177.584 0.123 0.000 1.157 286 A CA 1.362 53.452 52.037 0.088 0.000 0.670 286 A CB -0.257 18.754 19.000 0.018 0.000 0.804 286 A HN 0.786 nan 8.150 nan 0.000 0.453 287 D N -0.607 119.867 120.400 0.122 0.000 2.336 287 D HA 0.094 4.742 4.640 0.013 0.000 0.228 287 D C 0.468 176.885 176.300 0.196 0.000 1.120 287 D CA -0.006 54.004 54.000 0.017 0.000 0.839 287 D CB -0.084 40.700 40.800 -0.025 0.000 0.932 287 D HN 0.415 nan 8.370 nan 0.000 0.509 288 R N -0.764 119.950 120.500 0.357 0.000 2.808 288 R HA 0.747 5.095 4.340 0.013 0.000 0.272 288 R C -1.523 174.905 176.300 0.213 0.000 0.995 288 R CA -1.146 55.138 56.100 0.308 0.000 0.917 288 R CB 3.076 33.431 30.300 0.092 0.000 1.217 288 R HN -0.025 nan 8.270 nan 0.000 0.471 289 V N 0.405 120.328 119.914 0.016 0.000 3.048 289 V HA 0.494 4.621 4.120 0.013 0.000 0.303 289 V C -1.483 174.543 176.094 -0.113 0.000 1.214 289 V CA -0.302 61.921 62.300 -0.128 0.000 0.984 289 V CB 2.783 34.361 31.823 -0.409 0.000 1.054 289 V HN 0.819 nan 8.190 nan 0.000 0.430 290 T N 7.292 121.794 114.554 -0.087 0.000 2.792 290 T HA 0.600 4.958 4.350 0.013 0.000 0.280 290 T C -0.963 173.692 174.700 -0.074 0.000 0.990 290 T CA -0.403 61.657 62.100 -0.068 0.000 0.960 290 T CB 1.064 69.908 68.868 -0.040 0.000 0.939 290 T HN 0.431 nan 8.240 nan 0.000 0.439 291 L N 3.580 124.761 121.223 -0.071 0.000 2.317 291 L HA 0.599 4.946 4.340 0.013 0.000 0.281 291 L C 0.260 177.100 176.870 -0.050 0.000 1.024 291 L CA -0.505 54.295 54.840 -0.066 0.000 0.810 291 L CB 1.511 43.529 42.059 -0.068 0.000 1.240 291 L HN 0.578 nan 8.230 nan 0.000 0.427 292 R N 3.723 124.194 120.500 -0.049 0.000 2.476 292 R HA 0.692 5.040 4.340 0.013 0.000 0.305 292 R C -1.120 175.152 176.300 -0.046 0.000 0.965 292 R CA -0.407 55.665 56.100 -0.046 0.000 0.867 292 R CB 1.910 32.184 30.300 -0.044 0.000 1.176 292 R HN 0.458 nan 8.270 nan 0.000 0.447 293 L N 2.587 123.783 121.223 -0.045 0.000 2.341 293 L HA 0.505 4.853 4.340 0.013 0.000 0.278 293 L C -0.276 176.565 176.870 -0.049 0.000 1.005 293 L CA -1.155 53.657 54.840 -0.047 0.000 0.818 293 L CB 1.652 43.685 42.059 -0.043 0.000 1.259 293 L HN 0.488 nan 8.230 nan 0.000 0.418 294 N N 2.124 120.789 118.700 -0.059 0.000 2.514 294 N HA 0.384 5.132 4.740 0.013 0.000 0.277 294 N C -0.797 174.660 175.510 -0.088 0.000 1.126 294 N CA -0.177 52.832 53.050 -0.067 0.000 0.978 294 N CB 2.575 41.026 38.487 -0.061 0.000 1.106 294 N HN 0.232 nan 8.380 nan 0.000 0.461 295 V N 2.254 122.096 119.914 -0.118 0.000 2.482 295 V HA 0.162 4.290 4.120 0.013 0.000 0.295 295 V C -0.166 175.828 176.094 -0.166 0.000 1.026 295 V CA -0.838 61.348 62.300 -0.191 0.000 0.856 295 V CB 1.890 33.484 31.823 -0.382 0.000 1.001 295 V HN 0.469 nan 8.190 nan 0.000 0.424 296 E N 4.118 124.251 120.200 -0.112 0.000 2.283 296 E HA 0.299 4.657 4.350 0.013 0.000 0.278 296 E C 0.142 176.710 176.600 -0.054 0.000 1.027 296 E CA -0.196 56.166 56.400 -0.065 0.000 0.843 296 E CB 0.673 30.349 29.700 -0.039 0.000 1.062 296 E HN 0.683 nan 8.360 nan 0.000 0.401 297 N N 1.538 120.228 118.700 -0.016 0.000 2.714 297 N HA -0.118 4.629 4.740 0.013 0.000 0.253 297 N C -2.347 173.156 175.510 -0.011 0.000 1.024 297 N CA 0.322 53.378 53.050 0.010 0.000 0.726 297 N CB -1.242 37.253 38.487 0.014 0.000 0.908 297 N HN 0.335 nan 8.380 nan 0.000 0.542 298 P HA 0.033 nan 4.420 nan 0.000 0.268 298 P C 0.090 177.419 177.300 0.050 0.000 1.205 298 P CA 0.366 63.362 63.100 -0.172 0.000 0.771 298 P CB 0.823 32.295 31.700 -0.379 0.000 0.858 299 K N 3.015 123.523 120.400 0.180 0.000 2.316 299 K HA 0.297 4.625 4.320 0.013 0.000 0.289 299 K C 0.214 176.969 176.600 0.259 0.000 1.070 299 K CA -0.450 55.938 56.287 0.169 0.000 0.928 299 K CB 0.323 32.887 32.500 0.106 0.000 1.039 299 K HN 0.443 nan 8.250 nan 0.000 0.480 300 L N 2.583 123.894 121.223 0.146 0.000 2.371 300 L HA 0.273 4.621 4.340 0.013 0.000 0.272 300 L C -0.002 176.941 176.870 0.122 0.000 1.124 300 L CA -0.751 54.169 54.840 0.133 0.000 0.816 300 L CB 0.335 42.318 42.059 -0.128 0.000 1.129 300 L HN 0.603 nan 8.230 nan 0.000 0.448 301 W N 3.647 124.973 121.300 0.043 0.000 2.417 301 W HA 0.512 5.179 4.660 0.012 0.000 0.317 301 W C -0.090 176.382 176.519 -0.079 0.000 1.121 301 W CA 0.000 57.358 57.345 0.021 0.000 1.208 301 W CB 1.362 30.886 29.460 0.106 0.000 1.253 301 W HN 0.625 nan 8.180 nan 0.000 0.533 302 S N 2.948 118.119 115.700 -0.882 0.000 2.656 302 S HA 0.647 5.125 4.470 0.013 0.000 0.273 302 S C 0.032 173.892 174.600 -1.233 0.000 1.168 302 S CA -0.383 57.353 58.200 -0.774 0.000 0.817 302 S CB 1.187 64.192 63.200 -0.325 0.000 1.146 302 S HN 1.005 nan 8.310 nan 0.000 0.475 303 A N 0.091 122.338 122.820 -0.956 0.000 2.168 303 A HA 0.121 4.449 4.320 0.013 0.000 0.215 303 A C 1.644 178.922 177.584 -0.510 0.000 1.152 303 A CA 1.074 52.547 52.037 -0.941 0.000 0.716 303 A CB -0.832 17.468 19.000 -1.167 0.000 0.794 303 A HN 0.840 nan 8.150 nan 0.000 0.465 304 E N -0.558 119.468 120.200 -0.290 0.000 2.051 304 E HA 0.089 4.446 4.350 0.013 0.000 0.189 304 E C -0.168 176.305 176.600 -0.212 0.000 0.979 304 E CA 0.675 56.968 56.400 -0.179 0.000 0.803 304 E CB 0.060 29.780 29.700 0.034 0.000 0.761 304 E HN 0.574 nan 8.360 nan 0.000 0.451 305 I N 2.172 122.592 120.570 -0.250 0.000 2.583 305 I HA 0.164 4.342 4.170 0.013 0.000 0.276 305 I C -2.496 173.418 176.117 -0.339 0.000 1.089 305 I CA -1.834 59.338 61.300 -0.214 0.000 1.103 305 I CB 2.077 40.001 38.000 -0.128 0.000 1.209 305 I HN -0.203 nan 8.210 nan 0.000 0.484 306 P HA 0.092 nan 4.420 nan 0.000 0.226 306 P C -0.549 176.745 177.300 -0.010 0.000 1.783 306 P CA -0.286 62.519 63.100 -0.492 0.000 0.980 306 P CB -0.208 31.314 31.700 -0.295 0.000 1.967 307 N N 1.909 120.629 118.700 0.035 0.000 2.447 307 N HA 0.124 4.871 4.740 0.013 0.000 0.263 307 N C 0.087 175.802 175.510 0.342 0.000 1.226 307 N CA 0.504 53.637 53.050 0.138 0.000 0.906 307 N CB 0.665 39.231 38.487 0.131 0.000 1.060 307 N HN 0.324 nan 8.380 nan 0.000 0.468 308 L N 2.432 123.781 121.223 0.210 0.000 2.388 308 L HA 0.477 4.824 4.340 0.013 0.000 0.264 308 L C -0.810 176.126 176.870 0.111 0.000 0.998 308 L CA -0.876 54.127 54.840 0.271 0.000 0.817 308 L CB 1.303 43.494 42.059 0.220 0.000 1.338 308 L HN 0.377 nan 8.230 nan 0.000 0.414 309 Y N 0.284 120.724 120.300 0.233 0.000 2.621 309 Y HA 0.650 5.208 4.550 0.013 0.000 0.334 309 Y C -0.126 175.887 175.900 0.189 0.000 1.074 309 Y CA -0.830 57.408 58.100 0.230 0.000 1.149 309 Y CB 1.634 40.280 38.460 0.310 0.000 1.302 309 Y HN 0.391 nan 8.280 nan 0.000 0.501 310 R N 1.025 121.756 120.500 0.385 0.000 2.387 310 R HA 0.800 5.148 4.340 0.013 0.000 0.314 310 R C -1.565 174.922 176.300 0.311 0.000 0.958 310 R CA -0.506 55.754 56.100 0.267 0.000 0.846 310 R CB 1.037 31.432 30.300 0.160 0.000 1.147 310 R HN 0.747 nan 8.270 nan 0.000 0.447 311 A N 3.804 126.745 122.820 0.201 0.000 2.304 311 A HA 0.630 4.958 4.320 0.013 0.000 0.323 311 A C -1.085 176.552 177.584 0.088 0.000 1.195 311 A CA -0.648 51.484 52.037 0.158 0.000 0.826 311 A CB 1.308 20.367 19.000 0.099 0.000 1.184 311 A HN 0.491 nan 8.150 nan 0.000 0.496 312 V N 3.322 123.294 119.914 0.097 0.000 2.448 312 V HA 0.395 4.523 4.120 0.013 0.000 0.295 312 V C -0.464 175.608 176.094 -0.037 0.000 1.025 312 V CA -0.483 61.819 62.300 0.004 0.000 0.859 312 V CB 1.690 33.529 31.823 0.028 0.000 0.988 312 V HN 0.625 nan 8.190 nan 0.000 0.431 313 V N 4.809 124.636 119.914 -0.146 0.000 2.313 313 V HA 0.409 4.537 4.120 0.013 0.000 0.278 313 V C -0.035 176.004 176.094 -0.091 0.000 1.017 313 V CA -0.594 61.598 62.300 -0.180 0.000 0.823 313 V CB 1.183 32.737 31.823 -0.447 0.000 1.010 313 V HN 0.910 nan 8.190 nan 0.000 0.443 314 E N 3.976 124.177 120.200 0.002 0.000 2.156 314 E HA 0.465 4.823 4.350 0.013 0.000 0.279 314 E C -0.971 175.722 176.600 0.156 0.000 0.965 314 E CA -0.873 55.579 56.400 0.086 0.000 0.789 314 E CB 2.372 32.144 29.700 0.121 0.000 1.098 314 E HN 0.421 nan 8.360 nan 0.000 0.397 315 L N 4.891 126.185 121.223 0.118 0.000 2.265 315 L HA 0.359 4.707 4.340 0.013 0.000 0.289 315 L C -0.897 176.076 176.870 0.173 0.000 1.033 315 L CA 0.044 54.948 54.840 0.106 0.000 0.814 315 L CB -0.157 41.951 42.059 0.081 0.000 1.203 315 L HN 0.674 nan 8.230 nan 0.000 0.423 316 H N 0.334 119.456 119.070 0.086 0.000 2.933 316 H HA 0.774 5.337 4.556 0.013 0.000 0.310 316 H C -0.715 174.692 175.328 0.132 0.000 1.351 316 H CA -0.468 55.632 56.048 0.087 0.000 1.137 316 H CB 0.606 30.398 29.762 0.050 0.000 1.853 316 H HN 0.478 nan 8.280 nan 0.000 0.539 317 T N -1.994 112.729 114.554 0.283 0.000 2.874 317 T HA 0.507 4.865 4.350 0.013 0.000 0.281 317 T C 1.564 176.429 174.700 0.275 0.000 0.994 317 T CA -0.334 61.911 62.100 0.241 0.000 1.015 317 T CB 1.403 70.354 68.868 0.138 0.000 1.028 317 T HN 0.952 nan 8.240 nan 0.000 0.523 318 A N 0.770 123.707 122.820 0.195 0.000 1.927 318 A HA -0.170 4.158 4.320 0.013 0.000 0.220 318 A C 1.835 179.516 177.584 0.162 0.000 1.185 318 A CA 2.252 54.383 52.037 0.158 0.000 0.639 318 A CB -1.203 17.871 19.000 0.123 0.000 0.820 318 A HN 0.944 nan 8.150 nan 0.000 0.451 319 D N -2.429 118.047 120.400 0.126 0.000 2.319 319 D HA 0.342 4.990 4.640 0.013 0.000 0.230 319 D C 1.035 177.376 176.300 0.069 0.000 1.094 319 D CA 1.084 55.132 54.000 0.080 0.000 0.856 319 D CB -0.194 40.631 40.800 0.042 0.000 0.915 319 D HN 0.607 nan 8.370 nan 0.000 0.517 320 G N -0.445 108.429 108.800 0.123 0.000 2.159 320 G HA2 -0.230 3.737 3.960 0.013 0.000 0.227 320 G HA3 -0.230 3.737 3.960 0.013 0.000 0.227 320 G C 0.452 175.366 174.900 0.023 0.000 0.986 320 G CA 0.147 45.253 45.100 0.010 0.000 0.651 320 G HN 0.338 nan 8.290 nan 0.000 0.523 321 T N 1.492 116.092 114.554 0.077 0.000 2.817 321 T HA 0.535 4.893 4.350 0.013 0.000 0.293 321 T C 0.315 175.071 174.700 0.093 0.000 0.964 321 T CA -0.238 61.894 62.100 0.053 0.000 1.085 321 T CB 2.063 70.952 68.868 0.035 0.000 0.921 321 T HN 0.518 nan 8.240 nan 0.000 0.502 322 L N 4.104 125.363 121.223 0.060 0.000 2.397 322 L HA 0.377 4.725 4.340 0.013 0.000 0.271 322 L C 0.658 177.575 176.870 0.078 0.000 1.148 322 L CA 0.365 55.254 54.840 0.082 0.000 0.825 322 L CB 0.226 42.310 42.059 0.041 0.000 1.117 322 L HN 0.707 nan 8.230 nan 0.000 0.456 323 I N 1.954 122.580 120.570 0.094 0.000 2.899 323 I HA 0.180 4.358 4.170 0.013 0.000 0.257 323 I C 0.159 176.298 176.117 0.037 0.000 1.115 323 I CA 0.313 61.650 61.300 0.062 0.000 1.451 323 I CB 0.202 38.242 38.000 0.067 0.000 1.251 323 I HN 0.790 nan 8.210 nan 0.000 0.456 324 E N 0.344 120.566 120.200 0.037 0.000 2.422 324 E HA 0.711 5.069 4.350 0.013 0.000 0.280 324 E C -1.578 175.042 176.600 0.033 0.000 1.091 324 E CA -1.111 55.301 56.400 0.020 0.000 0.849 324 E CB 1.850 31.526 29.700 -0.041 0.000 1.353 324 E HN -0.017 nan 8.360 nan 0.000 0.449 325 A N 1.279 124.141 122.820 0.070 0.000 2.422 325 A HA 0.665 4.992 4.320 0.013 0.000 0.302 325 A C -1.000 176.686 177.584 0.170 0.000 1.041 325 A CA -0.736 51.351 52.037 0.082 0.000 0.708 325 A CB 1.675 20.728 19.000 0.089 0.000 1.257 325 A HN 0.504 nan 8.150 nan 0.000 0.414 326 E N -0.130 120.095 120.200 0.041 0.000 2.339 326 E HA 0.861 5.219 4.350 0.013 0.000 0.262 326 E C -0.383 176.251 176.600 0.056 0.000 0.934 326 E CA -0.468 56.003 56.400 0.118 0.000 0.802 326 E CB 2.378 32.031 29.700 -0.078 0.000 1.275 326 E HN 1.184 nan 8.360 nan 0.000 0.427 327 A N -0.177 122.793 122.820 0.251 0.000 2.586 327 A HA 0.718 5.046 4.320 0.013 0.000 0.290 327 A C -1.200 176.567 177.584 0.304 0.000 1.086 327 A CA -0.352 51.755 52.037 0.117 0.000 0.665 327 A CB 0.695 19.698 19.000 0.005 0.000 1.279 327 A HN 0.866 nan 8.150 nan 0.000 0.423 328 C N -0.773 118.660 119.300 0.223 0.000 3.311 328 C HA 0.799 5.267 4.460 0.013 0.000 0.325 328 C C -1.434 173.647 174.990 0.151 0.000 1.352 328 C CA -0.939 58.215 59.018 0.227 0.000 1.308 328 C CB 1.049 28.938 27.740 0.248 0.000 1.619 328 C HN 0.817 nan 8.230 nan 0.000 0.469 329 D N 1.088 121.564 120.400 0.126 0.000 2.304 329 D HA 0.519 5.166 4.640 0.013 0.000 0.250 329 D C -0.347 176.003 176.300 0.083 0.000 1.107 329 D CA 0.158 54.232 54.000 0.124 0.000 0.885 329 D CB 1.884 42.762 40.800 0.131 0.000 1.192 329 D HN 0.538 nan 8.370 nan 0.000 0.436 330 V N 1.427 121.411 119.914 0.118 0.000 2.417 330 V HA 0.608 4.736 4.120 0.013 0.000 0.291 330 V C 0.693 176.838 176.094 0.086 0.000 1.024 330 V CA -0.794 61.523 62.300 0.027 0.000 0.861 330 V CB 1.806 33.613 31.823 -0.027 0.000 0.985 330 V HN 0.597 nan 8.190 nan 0.000 0.436 331 G N 3.402 112.151 108.800 -0.084 0.000 2.437 331 G HA2 0.593 4.560 3.960 0.013 0.000 0.315 331 G HA3 0.593 4.560 3.960 0.013 0.000 0.315 331 G C -0.933 174.026 174.900 0.098 0.000 1.210 331 G CA -0.399 44.728 45.100 0.045 0.000 0.943 331 G HN 0.458 nan 8.290 nan 0.000 0.471 332 F N 4.091 124.237 119.950 0.327 0.000 2.462 332 F HA 0.417 4.951 4.527 0.012 0.000 0.360 332 F C 1.157 177.223 175.800 0.443 0.000 1.134 332 F CA -0.030 58.218 58.000 0.412 0.000 1.148 332 F CB 0.649 39.908 39.000 0.433 0.000 1.147 332 F HN 0.439 nan 8.300 nan 0.000 0.550 333 R N 3.206 124.024 120.500 0.529 0.000 2.629 333 R HA 0.400 4.748 4.340 0.013 0.000 0.266 333 R C -1.866 174.601 176.300 0.279 0.000 1.051 333 R CA -0.791 55.452 56.100 0.237 0.000 0.895 333 R CB 1.609 32.077 30.300 0.280 0.000 1.246 333 R HN 0.584 nan 8.270 nan 0.000 0.459 334 E N 2.257 122.522 120.200 0.107 0.000 2.199 334 E HA 0.478 4.836 4.350 0.013 0.000 0.269 334 E C -1.263 175.415 176.600 0.130 0.000 0.899 334 E CA -0.932 55.609 56.400 0.236 0.000 0.772 334 E CB 2.189 32.093 29.700 0.340 0.000 1.155 334 E HN 0.397 nan 8.360 nan 0.000 0.408 335 V N 5.366 125.351 119.914 0.118 0.000 2.448 335 V HA 0.569 4.696 4.120 0.013 0.000 0.295 335 V C -0.281 175.857 176.094 0.073 0.000 1.025 335 V CA -0.609 61.731 62.300 0.066 0.000 0.859 335 V CB 1.345 33.186 31.823 0.029 0.000 0.988 335 V HN 0.744 nan 8.190 nan 0.000 0.431 336 R N 4.269 124.808 120.500 0.065 0.000 2.710 336 R HA 0.742 5.090 4.340 0.013 0.000 0.270 336 R C -2.130 174.199 176.300 0.048 0.000 1.021 336 R CA -0.902 55.238 56.100 0.067 0.000 0.889 336 R CB 1.915 32.269 30.300 0.090 0.000 1.243 336 R HN 0.514 nan 8.270 nan 0.000 0.464 337 I N 1.390 121.987 120.570 0.046 0.000 2.362 337 I HA 0.354 4.532 4.170 0.013 0.000 0.289 337 I C -0.732 175.408 176.117 0.038 0.000 0.994 337 I CA -0.443 60.878 61.300 0.035 0.000 1.158 337 I CB 1.937 39.958 38.000 0.035 0.000 1.315 337 I HN 0.703 nan 8.210 nan 0.000 0.451 338 E N 5.612 125.832 120.200 0.033 0.000 2.275 338 E HA 0.292 4.650 4.350 0.013 0.000 0.270 338 E C -0.242 176.372 176.600 0.024 0.000 0.882 338 E CA -0.521 55.899 56.400 0.034 0.000 0.758 338 E CB 1.026 30.752 29.700 0.043 0.000 1.195 338 E HN 0.515 nan 8.360 nan 0.000 0.419 339 N N 3.055 121.769 118.700 0.023 0.000 2.725 339 N HA -0.226 4.522 4.740 0.013 0.000 0.249 339 N C 0.408 175.925 175.510 0.011 0.000 1.103 339 N CA 1.929 54.989 53.050 0.017 0.000 0.707 339 N CB -1.139 37.357 38.487 0.015 0.000 1.043 339 N HN 0.951 nan 8.380 nan 0.000 0.553 340 G N -2.191 106.616 108.800 0.012 0.000 2.159 340 G HA2 -0.280 3.688 3.960 0.013 0.000 0.256 340 G HA3 -0.280 3.688 3.960 0.013 0.000 0.256 340 G C -0.113 174.783 174.900 -0.006 0.000 0.977 340 G CA 0.488 45.591 45.100 0.005 0.000 0.652 340 G HN 0.451 nan 8.290 nan 0.000 0.531 341 L N -0.091 121.130 121.223 -0.004 0.000 2.346 341 L HA 0.716 5.063 4.340 0.013 0.000 0.274 341 L C 0.128 176.990 176.870 -0.014 0.000 1.007 341 L CA -1.344 53.486 54.840 -0.017 0.000 0.818 341 L CB 1.854 43.904 42.059 -0.016 0.000 1.284 341 L HN 0.094 nan 8.230 nan 0.000 0.424 342 L N 4.241 125.443 121.223 -0.034 0.000 2.281 342 L HA 0.458 4.805 4.340 0.013 0.000 0.285 342 L C -0.849 176.001 176.870 -0.033 0.000 1.074 342 L CA 0.393 55.214 54.840 -0.031 0.000 0.817 342 L CB 0.432 42.458 42.059 -0.055 0.000 1.168 342 L HN 0.398 nan 8.230 nan 0.000 0.434 343 L N 5.875 127.096 121.223 -0.004 0.000 2.346 343 L HA 0.505 4.853 4.340 0.013 0.000 0.274 343 L C -0.931 175.949 176.870 0.017 0.000 1.007 343 L CA -0.854 53.992 54.840 0.011 0.000 0.818 343 L CB 1.944 44.032 42.059 0.049 0.000 1.284 343 L HN 0.460 nan 8.230 nan 0.000 0.424 344 L N 4.306 125.546 121.223 0.029 0.000 2.325 344 L HA 0.437 4.784 4.340 0.013 0.000 0.281 344 L C -0.256 176.614 176.870 0.000 0.000 1.004 344 L CA -0.071 54.790 54.840 0.035 0.000 0.823 344 L CB 1.132 43.244 42.059 0.088 0.000 1.236 344 L HN 0.751 nan 8.230 nan 0.000 0.415 345 N N 4.095 122.656 118.700 -0.231 0.000 2.721 345 N HA -0.215 4.533 4.740 0.013 0.000 0.249 345 N C 1.052 176.184 175.510 -0.629 0.000 1.072 345 N CA 1.250 53.794 53.050 -0.843 0.000 0.710 345 N CB -1.374 36.507 38.487 -1.012 0.000 0.993 345 N HN 1.127 nan 8.380 nan 0.000 0.547 346 G N -2.002 106.753 108.800 -0.074 0.000 2.184 346 G HA2 -0.360 3.608 3.960 0.013 0.000 0.264 346 G HA3 -0.360 3.608 3.960 0.013 0.000 0.264 346 G C -0.047 174.897 174.900 0.073 0.000 0.975 346 G CA 0.960 46.137 45.100 0.128 0.000 0.642 346 G HN 0.421 nan 8.290 nan 0.000 0.536 347 K N 0.619 121.055 120.400 0.060 0.000 2.203 347 K HA 0.552 4.879 4.320 0.013 0.000 0.251 347 K C -2.842 173.745 176.600 -0.020 0.000 0.944 347 K CA -2.305 53.984 56.287 0.002 0.000 0.829 347 K CB 2.368 34.814 32.500 -0.090 0.000 1.125 347 K HN 0.024 nan 8.250 nan 0.000 0.430 348 P HA 0.234 nan 4.420 nan 0.000 0.282 348 P C -0.092 177.149 177.300 -0.098 0.000 1.274 348 P CA -0.271 62.788 63.100 -0.067 0.000 0.770 348 P CB 0.460 32.122 31.700 -0.063 0.000 0.867 349 L N 3.417 124.574 121.223 -0.109 0.000 2.464 349 L HA 0.292 4.640 4.340 0.013 0.000 0.264 349 L C 0.619 177.407 176.870 -0.137 0.000 1.199 349 L CA -0.503 54.258 54.840 -0.131 0.000 0.818 349 L CB 0.269 42.204 42.059 -0.206 0.000 1.102 349 L HN 0.254 nan 8.230 nan 0.000 0.473 350 L N 3.289 124.447 121.223 -0.108 0.000 2.427 350 L HA 0.415 4.763 4.340 0.013 0.000 0.264 350 L C -0.620 176.206 176.870 -0.074 0.000 0.989 350 L CA -0.203 54.558 54.840 -0.132 0.000 0.865 350 L CB 0.903 42.914 42.059 -0.080 0.000 1.209 350 L HN 0.234 nan 8.230 nan 0.000 0.430 351 I N 4.739 125.199 120.570 -0.184 0.000 2.421 351 I HA 0.196 4.374 4.170 0.013 0.000 0.291 351 I C 0.595 176.679 176.117 -0.054 0.000 1.089 351 I CA 0.213 61.415 61.300 -0.164 0.000 1.354 351 I CB 0.430 38.211 38.000 -0.365 0.000 1.413 351 I HN 0.565 nan 8.210 nan 0.000 0.513 352 R N 4.735 125.290 120.500 0.090 0.000 3.436 352 R HA 0.428 4.776 4.340 0.013 0.000 0.247 352 R C 0.553 176.972 176.300 0.199 0.000 1.434 352 R CA -0.261 55.929 56.100 0.150 0.000 1.543 352 R CB 0.757 30.976 30.300 -0.136 0.000 1.289 352 R HN 0.769 nan 8.270 nan 0.000 0.664 353 G N -0.017 108.853 108.800 0.116 0.000 2.552 353 G HA2 0.589 4.557 3.960 0.013 0.000 0.324 353 G HA3 0.589 4.557 3.960 0.013 0.000 0.324 353 G C -1.293 173.906 174.900 0.498 0.000 1.217 353 G CA -0.467 44.693 45.100 0.101 0.000 0.989 353 G HN 0.215 nan 8.290 nan 0.000 0.490 354 V N 0.059 120.251 119.914 0.464 0.000 2.932 354 V HA 0.456 4.583 4.120 0.013 0.000 0.307 354 V C -1.215 175.006 176.094 0.212 0.000 1.147 354 V CA -1.199 61.256 62.300 0.259 0.000 0.951 354 V CB 2.152 33.847 31.823 -0.214 0.000 1.031 354 V HN 0.755 nan 8.190 nan 0.000 0.426 355 N N 4.544 123.295 118.700 0.084 0.000 2.499 355 N HA 0.441 5.189 4.740 0.013 0.000 0.281 355 N C -0.731 174.576 175.510 -0.337 0.000 1.098 355 N CA -0.295 52.667 53.050 -0.147 0.000 0.979 355 N CB 1.585 39.935 38.487 -0.229 0.000 1.121 355 N HN 0.635 nan 8.380 nan 0.000 0.466 356 R N 2.035 122.309 120.500 -0.377 0.000 2.502 356 R HA 0.233 4.581 4.340 0.013 0.000 0.300 356 R C -0.867 175.182 176.300 -0.418 0.000 0.984 356 R CA -0.556 55.343 56.100 -0.335 0.000 0.882 356 R CB 0.928 31.024 30.300 -0.339 0.000 1.180 356 R HN 0.581 nan 8.270 nan 0.000 0.444 357 H N 2.076 121.001 119.070 -0.242 0.000 2.508 357 H HA 0.135 4.699 4.556 0.013 0.000 0.358 357 H C -0.495 174.830 175.328 -0.004 0.000 1.212 357 H CA 0.009 56.008 56.048 -0.082 0.000 1.356 357 H CB 1.451 31.226 29.762 0.021 0.000 1.525 357 H HN 0.563 nan 8.280 nan 0.000 0.578 358 E N 1.687 122.074 120.200 0.312 0.000 1.996 358 E HA 0.108 4.466 4.350 0.013 0.000 0.280 358 E C -0.742 176.004 176.600 0.244 0.000 1.092 358 E CA -0.016 56.491 56.400 0.178 0.000 0.862 358 E CB 0.259 30.075 29.700 0.193 0.000 1.066 358 E HN 0.371 nan 8.360 nan 0.000 0.396 359 H N 1.658 120.783 119.070 0.092 0.000 2.865 359 H HA 0.287 4.851 4.556 0.013 0.000 0.362 359 H C -1.664 173.713 175.328 0.081 0.000 1.114 359 H CA -0.703 55.396 56.048 0.084 0.000 1.208 359 H CB 1.127 30.928 29.762 0.065 0.000 1.727 359 H HN 0.386 nan 8.280 nan 0.000 0.534 360 H N 6.018 124.700 119.070 -0.646 0.000 2.782 360 H HA 0.219 4.783 4.556 0.013 0.000 0.347 360 H C -2.370 172.549 175.328 -0.682 0.000 1.038 360 H CA -2.411 53.367 56.048 -0.450 0.000 1.255 360 H CB 2.681 32.345 29.762 -0.163 0.000 1.623 360 H HN 0.555 nan 8.280 nan 0.000 0.525 361 P HA -0.108 nan 4.420 nan 0.000 0.226 361 P C 1.155 178.367 177.300 -0.148 0.000 1.153 361 P CA 0.420 63.367 63.100 -0.255 0.000 0.777 361 P CB 1.048 32.655 31.700 -0.154 0.000 0.794 362 L N -0.857 120.401 121.223 0.060 0.000 2.433 362 L HA 0.105 4.453 4.340 0.013 0.000 0.200 362 L C 1.916 178.545 176.870 -0.402 0.000 1.059 362 L CA 1.358 56.050 54.840 -0.248 0.000 0.835 362 L CB -0.949 40.794 42.059 -0.528 0.000 1.076 362 L HN 0.036 nan 8.230 nan 0.000 0.481 363 H N -0.343 118.642 119.070 -0.141 0.000 2.539 363 H HA 0.340 4.904 4.556 0.013 0.000 0.269 363 H C 1.408 176.615 175.328 -0.202 0.000 0.980 363 H CA 0.689 56.589 56.048 -0.247 0.000 1.152 363 H CB 0.381 29.899 29.762 -0.407 0.000 1.407 363 H HN 0.431 nan 8.280 nan 0.000 0.564 364 G N 1.512 110.217 108.800 -0.158 0.000 2.650 364 G HA2 -0.322 3.646 3.960 0.013 0.000 0.264 364 G HA3 -0.322 3.646 3.960 0.013 0.000 0.264 364 G C 0.573 175.390 174.900 -0.139 0.000 1.263 364 G CA 0.183 45.153 45.100 -0.216 0.000 0.960 364 G HN 0.421 nan 8.290 nan 0.000 0.548 365 Q N -0.080 119.668 119.800 -0.088 0.000 2.198 365 Q HA 0.479 4.826 4.340 0.013 0.000 0.209 365 Q C 0.307 176.398 176.000 0.152 0.000 0.848 365 Q CA -0.084 55.717 55.803 -0.004 0.000 0.974 365 Q CB 1.525 30.172 28.738 -0.151 0.000 1.115 365 Q HN 0.387 nan 8.270 nan 0.000 0.494 366 V N 2.101 122.083 119.914 0.113 0.000 2.530 366 V HA 0.172 4.299 4.120 0.013 0.000 0.282 366 V C 0.216 176.363 176.094 0.089 0.000 1.048 366 V CA 0.172 62.546 62.300 0.123 0.000 0.997 366 V CB 0.880 32.712 31.823 0.016 0.000 0.987 366 V HN 0.325 nan 8.190 nan 0.000 0.477 367 M N 4.534 124.196 119.600 0.104 0.000 2.537 367 M HA 0.528 5.015 4.480 0.013 0.000 0.324 367 M C -0.574 175.691 176.300 -0.059 0.000 1.187 367 M CA -0.564 54.750 55.300 0.023 0.000 0.993 367 M CB 1.732 34.314 32.600 -0.031 0.000 1.666 367 M HN 0.953 nan 8.290 nan 0.000 0.461 368 D N -1.621 118.740 120.400 -0.066 0.000 2.596 368 D HA 0.229 4.877 4.640 0.013 0.000 0.234 368 D C 0.296 176.572 176.300 -0.040 0.000 1.181 368 D CA -0.688 53.279 54.000 -0.056 0.000 0.856 368 D CB 1.408 42.198 40.800 -0.017 0.000 1.498 368 D HN 0.696 nan 8.370 nan 0.000 0.446 369 E N 0.117 120.308 120.200 -0.016 0.000 2.085 369 E HA -0.315 4.042 4.350 0.013 0.000 0.194 369 E C 1.476 178.116 176.600 0.067 0.000 0.994 369 E CA 1.353 57.771 56.400 0.030 0.000 0.801 369 E CB 0.099 29.833 29.700 0.057 0.000 0.743 369 E HN 0.545 nan 8.360 nan 0.000 0.453 370 Q N -0.303 119.539 119.800 0.070 0.000 2.045 370 Q HA -0.166 4.182 4.340 0.013 0.000 0.206 370 Q C 2.292 178.352 176.000 0.099 0.000 0.991 370 Q CA 2.334 58.189 55.803 0.087 0.000 0.851 370 Q CB -0.234 28.560 28.738 0.093 0.000 0.911 370 Q HN 0.384 nan 8.270 nan 0.000 0.418 371 T N 0.982 115.604 114.554 0.112 0.000 2.777 371 T HA -0.121 4.237 4.350 0.013 0.000 0.266 371 T C 1.918 176.690 174.700 0.121 0.000 1.040 371 T CA 1.244 63.421 62.100 0.129 0.000 1.141 371 T CB -0.144 68.828 68.868 0.174 0.000 0.868 371 T HN 0.227 nan 8.240 nan 0.000 0.444 372 M N 0.534 120.205 119.600 0.119 0.000 2.086 372 M HA -0.078 4.410 4.480 0.013 0.000 0.261 372 M C 2.484 178.893 176.300 0.181 0.000 1.067 372 M CA 1.256 56.691 55.300 0.225 0.000 1.116 372 M CB -0.575 32.199 32.600 0.291 0.000 1.348 372 M HN 0.075 nan 8.290 nan 0.000 0.407 373 V N 0.395 120.360 119.914 0.086 0.000 2.343 373 V HA -0.306 3.822 4.120 0.013 0.000 0.247 373 V C 2.358 178.434 176.094 -0.030 0.000 1.051 373 V CA 2.154 64.444 62.300 -0.017 0.000 1.036 373 V CB -0.872 30.979 31.823 0.046 0.000 0.654 373 V HN 0.579 nan 8.190 nan 0.000 0.451 374 Q N -0.288 119.544 119.800 0.053 0.000 2.096 374 Q HA -0.274 4.074 4.340 0.013 0.000 0.204 374 Q C 1.928 177.988 176.000 0.100 0.000 0.982 374 Q CA 2.195 58.045 55.803 0.078 0.000 0.850 374 Q CB -0.161 28.639 28.738 0.104 0.000 0.901 374 Q HN 0.608 nan 8.270 nan 0.000 0.422 375 D N 0.437 120.912 120.400 0.125 0.000 2.097 375 D HA -0.132 4.516 4.640 0.013 0.000 0.195 375 D C 1.974 178.212 176.300 -0.104 0.000 0.989 375 D CA 1.196 55.270 54.000 0.124 0.000 0.827 375 D CB -0.208 40.660 40.800 0.113 0.000 0.966 375 D HN 0.359 nan 8.370 nan 0.000 0.456 376 I N 0.748 121.245 120.570 -0.121 0.000 2.163 376 I HA -0.261 3.917 4.170 0.013 0.000 0.243 376 I C 2.467 178.412 176.117 -0.286 0.000 1.085 376 I CA 0.761 61.873 61.300 -0.313 0.000 1.347 376 I CB -0.211 37.479 38.000 -0.518 0.000 1.044 376 I HN 0.007 nan 8.210 nan 0.000 0.408 377 L N 0.089 121.184 121.223 -0.213 0.000 2.042 377 L HA -0.248 4.099 4.340 0.013 0.000 0.210 377 L C 2.587 179.501 176.870 0.072 0.000 1.076 377 L CA 1.467 56.282 54.840 -0.041 0.000 0.749 377 L CB -0.624 41.451 42.059 0.026 0.000 0.893 377 L HN 0.307 nan 8.230 nan 0.000 0.432 378 L N -0.980 120.304 121.223 0.102 0.000 2.046 378 L HA -0.236 4.111 4.340 0.013 0.000 0.208 378 L C 2.707 179.699 176.870 0.204 0.000 1.077 378 L CA 1.322 56.308 54.840 0.243 0.000 0.747 378 L CB -0.277 42.049 42.059 0.446 0.000 0.896 378 L HN 0.275 nan 8.230 nan 0.000 0.432 379 M N -0.671 118.856 119.600 -0.121 0.000 2.080 379 M HA -0.261 4.226 4.480 0.013 0.000 0.260 379 M C 2.271 178.611 176.300 0.066 0.000 1.068 379 M CA 1.888 57.056 55.300 -0.221 0.000 1.109 379 M CB -0.339 31.902 32.600 -0.599 0.000 1.342 379 M HN 0.064 nan 8.290 nan 0.000 0.405 380 K N -0.073 120.250 120.400 -0.129 0.000 2.097 380 K HA -0.158 4.170 4.320 0.013 0.000 0.205 380 K C 1.952 178.411 176.600 -0.235 0.000 1.050 380 K CA 1.238 57.307 56.287 -0.363 0.000 0.938 380 K CB -0.166 31.877 32.500 -0.761 0.000 0.718 380 K HN 0.443 nan 8.250 nan 0.000 0.442 381 Q N 0.277 120.145 119.800 0.113 0.000 2.364 381 Q HA -0.045 4.303 4.340 0.013 0.000 0.207 381 Q C 0.680 176.954 176.000 0.456 0.000 0.970 381 Q CA 0.686 56.716 55.803 0.378 0.000 0.888 381 Q CB 0.147 29.129 28.738 0.408 0.000 0.951 381 Q HN 0.254 nan 8.270 nan 0.000 0.469 382 N N 0.458 119.372 118.700 0.356 0.000 2.275 382 N HA 0.062 4.810 4.740 0.013 0.000 0.236 382 N C -0.642 174.941 175.510 0.122 0.000 1.154 382 N CA 0.024 53.279 53.050 0.342 0.000 0.866 382 N CB 0.762 39.541 38.487 0.487 0.000 1.093 382 N HN 0.151 nan 8.380 nan 0.000 0.515 383 N N 0.075 118.853 118.700 0.130 0.000 2.782 383 N HA -0.186 4.562 4.740 0.013 0.000 0.251 383 N C -0.737 174.696 175.510 -0.128 0.000 1.101 383 N CA 0.769 53.855 53.050 0.061 0.000 0.764 383 N CB -1.754 36.706 38.487 -0.045 0.000 1.122 383 N HN 0.254 nan 8.380 nan 0.000 0.561 384 F N 1.271 121.221 119.950 -0.001 0.000 2.375 384 F HA 0.281 4.815 4.527 0.013 0.000 0.333 384 F C 1.803 177.583 175.800 -0.033 0.000 1.104 384 F CA -0.417 57.570 58.000 -0.022 0.000 1.149 384 F CB 0.740 39.697 39.000 -0.072 0.000 1.190 384 F HN 0.054 nan 8.300 nan 0.000 0.533 385 N N 0.673 119.482 118.700 0.181 0.000 2.160 385 N HA 0.430 5.178 4.740 0.013 0.000 0.226 385 N C -0.889 174.663 175.510 0.069 0.000 1.256 385 N CA -0.011 53.072 53.050 0.055 0.000 0.890 385 N CB 0.717 39.298 38.487 0.156 0.000 1.116 385 N HN 0.478 nan 8.380 nan 0.000 0.517 386 A N -0.570 122.362 122.820 0.187 0.000 2.606 386 A HA 0.760 5.087 4.320 0.013 0.000 0.293 386 A C -1.766 176.023 177.584 0.341 0.000 1.082 386 A CA -0.688 51.516 52.037 0.277 0.000 0.685 386 A CB 1.803 21.001 19.000 0.329 0.000 1.284 386 A HN 0.203 nan 8.150 nan 0.000 0.408 387 V N 0.865 121.036 119.914 0.428 0.000 2.971 387 V HA 0.829 4.957 4.120 0.013 0.000 0.309 387 V C -0.737 175.496 176.094 0.231 0.000 1.130 387 V CA -0.714 61.798 62.300 0.353 0.000 0.964 387 V CB 2.002 33.939 31.823 0.190 0.000 1.029 387 V HN 1.138 nan 8.190 nan 0.000 0.427 388 R N 4.479 124.941 120.500 -0.064 0.000 2.387 388 R HA 0.516 4.864 4.340 0.013 0.000 0.314 388 R C -0.897 175.246 176.300 -0.262 0.000 0.958 388 R CA -0.452 55.436 56.100 -0.353 0.000 0.846 388 R CB 1.238 31.143 30.300 -0.658 0.000 1.147 388 R HN 0.800 nan 8.270 nan 0.000 0.447 389 C N 4.410 123.583 119.300 -0.212 0.000 2.896 389 C HA 0.134 4.602 4.460 0.013 0.000 0.499 389 C C 0.430 175.119 174.990 -0.501 0.000 1.022 389 C CA -0.450 58.390 59.018 -0.297 0.000 1.127 389 C CB -1.975 25.707 27.740 -0.097 0.000 1.452 389 C HN 0.721 nan 8.230 nan 0.000 0.580 390 S N 1.828 117.098 115.700 -0.716 0.000 2.430 390 S HA 0.207 4.685 4.470 0.013 0.000 0.282 390 S C -0.162 173.539 174.600 -1.499 0.000 1.186 390 S CA 0.037 57.566 58.200 -1.119 0.000 1.060 390 S CB 0.090 62.592 63.200 -1.163 0.000 0.966 390 S HN 0.738 nan 8.310 nan 0.000 0.501 391 H N 3.709 122.156 119.070 -1.039 0.000 2.439 391 H HA 0.317 4.881 4.556 0.013 0.000 0.228 391 H C -1.190 174.022 175.328 -0.194 0.000 1.423 391 H CA -0.352 55.480 56.048 -0.360 0.000 1.386 391 H CB -0.050 29.714 29.762 0.003 0.000 1.641 391 H HN 0.891 nan 8.280 nan 0.000 0.508 392 Y N -2.731 117.670 120.300 0.170 0.000 2.765 392 Y HA 0.373 4.931 4.550 0.013 0.000 0.350 392 Y C -3.361 172.642 175.900 0.172 0.000 1.196 392 Y CA -3.039 55.170 58.100 0.181 0.000 1.119 392 Y CB -0.019 38.555 38.460 0.189 0.000 1.368 392 Y HN -0.069 nan 8.280 nan 0.000 0.463 393 P HA 0.169 nan 4.420 nan 0.000 0.268 393 P C -0.560 177.023 177.300 0.470 0.000 1.204 393 P CA 0.198 63.550 63.100 0.419 0.000 0.768 393 P CB 0.598 32.479 31.700 0.301 0.000 0.842 394 N N 0.562 119.557 118.700 0.493 0.000 2.448 394 N HA 0.093 4.841 4.740 0.013 0.000 0.274 394 N C 0.079 175.834 175.510 0.409 0.000 1.239 394 N CA -0.603 52.656 53.050 0.349 0.000 0.982 394 N CB 0.331 38.829 38.487 0.020 0.000 1.199 394 N HN 0.591 nan 8.380 nan 0.000 0.576 395 H N 2.327 121.510 119.070 0.187 0.000 3.094 395 H HA -0.005 4.559 4.556 0.013 0.000 0.320 395 H C -1.619 173.887 175.328 0.297 0.000 1.000 395 H CA -0.731 55.413 56.048 0.160 0.000 1.413 395 H CB 0.969 30.789 29.762 0.098 0.000 1.405 395 H HN 0.413 nan 8.280 nan 0.000 0.586 396 P HA -0.199 nan 4.420 nan 0.000 0.219 396 P C 1.788 179.412 177.300 0.540 0.000 1.146 396 P CA 0.608 63.961 63.100 0.421 0.000 0.808 396 P CB 0.264 32.058 31.700 0.156 0.000 0.779 397 L N -0.924 120.704 121.223 0.674 0.000 2.141 397 L HA -0.042 4.306 4.340 0.013 0.000 0.209 397 L C 2.428 179.484 176.870 0.311 0.000 1.094 397 L CA 1.384 56.474 54.840 0.415 0.000 0.763 397 L CB -1.494 40.741 42.059 0.295 0.000 0.908 397 L HN 0.014 nan 8.230 nan 0.000 0.437 398 W N -0.384 120.970 121.300 0.091 0.000 2.304 398 W HA -0.369 4.298 4.660 0.012 0.000 0.315 398 W C 2.115 178.507 176.519 -0.211 0.000 1.233 398 W CA 2.130 59.388 57.345 -0.145 0.000 1.261 398 W CB -0.392 28.869 29.460 -0.331 0.000 1.150 398 W HN 0.283 nan 8.180 nan 0.000 0.494 399 Y N 0.383 120.616 120.300 -0.111 0.000 2.242 399 Y HA -0.189 4.369 4.550 0.013 0.000 0.291 399 Y C 2.857 178.522 175.900 -0.392 0.000 1.137 399 Y CA 2.006 59.836 58.100 -0.450 0.000 1.181 399 Y CB -1.336 36.583 38.460 -0.902 0.000 0.989 399 Y HN -0.222 nan 8.280 nan 0.000 0.527 400 T N 0.688 115.244 114.554 0.004 0.000 2.746 400 T HA -0.149 4.209 4.350 0.013 0.000 0.267 400 T C 2.005 176.744 174.700 0.065 0.000 1.039 400 T CA 1.324 63.504 62.100 0.134 0.000 1.142 400 T CB -0.511 68.495 68.868 0.229 0.000 0.866 400 T HN 0.231 nan 8.240 nan 0.000 0.444 401 L N 0.317 121.537 121.223 -0.004 0.000 2.046 401 L HA -0.118 4.230 4.340 0.013 0.000 0.208 401 L C 2.882 179.724 176.870 -0.048 0.000 1.077 401 L CA 1.016 55.866 54.840 0.017 0.000 0.747 401 L CB -0.741 41.270 42.059 -0.081 0.000 0.896 401 L HN 0.385 nan 8.230 nan 0.000 0.432 402 C N -0.283 118.830 119.300 -0.311 0.000 2.440 402 C HA -0.138 4.330 4.460 0.013 0.000 0.278 402 C C 2.412 177.452 174.990 0.083 0.000 1.295 402 C CA 0.341 59.216 59.018 -0.239 0.000 1.738 402 C CB -0.799 26.701 27.740 -0.400 0.000 1.987 402 C HN 0.535 nan 8.230 nan 0.000 0.492 403 D N 0.499 120.954 120.400 0.090 0.000 2.123 403 D HA -0.109 4.539 4.640 0.013 0.000 0.196 403 D C 2.409 178.916 176.300 0.344 0.000 0.992 403 D CA 1.256 55.391 54.000 0.225 0.000 0.833 403 D CB -0.307 40.588 40.800 0.158 0.000 0.954 403 D HN 0.529 nan 8.370 nan 0.000 0.455 404 R N -1.011 119.591 120.500 0.170 0.000 2.066 404 R HA -0.006 4.341 4.340 0.013 0.000 0.224 404 R C 2.276 178.544 176.300 -0.054 0.000 1.122 404 R CA 0.644 56.775 56.100 0.052 0.000 0.974 404 R CB -0.260 30.002 30.300 -0.062 0.000 0.871 404 R HN 0.276 nan 8.270 nan 0.000 0.435 405 Y N 0.006 120.313 120.300 0.012 0.000 2.395 405 Y HA 0.134 4.692 4.550 0.013 0.000 0.293 405 Y C 1.038 176.867 175.900 -0.117 0.000 1.123 405 Y CA 0.925 59.005 58.100 -0.034 0.000 1.227 405 Y CB 0.413 38.822 38.460 -0.085 0.000 1.012 405 Y HN 0.268 nan 8.280 nan 0.000 0.552 406 G N 1.089 109.916 108.800 0.044 0.000 2.830 406 G HA2 -0.148 3.820 3.960 0.013 0.000 0.298 406 G HA3 -0.148 3.820 3.960 0.013 0.000 0.298 406 G C -1.171 173.564 174.900 -0.275 0.000 1.031 406 G CA -0.543 44.454 45.100 -0.172 0.000 1.179 406 G HN 0.171 nan 8.290 nan 0.000 0.527 407 L N 1.251 122.381 121.223 -0.155 0.000 2.455 407 L HA 0.487 4.835 4.340 0.013 0.000 0.264 407 L C -0.006 176.847 176.870 -0.028 0.000 0.968 407 L CA -1.296 53.415 54.840 -0.215 0.000 0.827 407 L CB 1.991 43.950 42.059 -0.166 0.000 1.317 407 L HN 0.478 nan 8.230 nan 0.000 0.407 408 Y N 1.895 122.324 120.300 0.215 0.000 2.377 408 Y HA 0.368 4.927 4.550 0.015 0.000 0.330 408 Y C 0.235 176.265 175.900 0.216 0.000 1.108 408 Y CA -0.659 57.605 58.100 0.273 0.000 1.308 408 Y CB 1.205 39.801 38.460 0.227 0.000 1.216 408 Y HN 0.164 nan 8.280 nan 0.000 0.518 409 V N 4.348 124.450 119.914 0.312 0.000 2.604 409 V HA 0.337 4.465 4.120 0.013 0.000 0.305 409 V C -0.590 175.586 176.094 0.137 0.000 1.043 409 V CA -1.010 61.413 62.300 0.204 0.000 0.888 409 V CB 2.013 33.914 31.823 0.129 0.000 0.995 409 V HN 0.459 nan 8.190 nan 0.000 0.429 410 V N 3.258 123.220 119.914 0.080 0.000 2.328 410 V HA 0.352 4.480 4.120 0.013 0.000 0.278 410 V C -0.411 175.712 176.094 0.048 0.000 1.021 410 V CA -0.356 61.943 62.300 -0.000 0.000 0.838 410 V CB 1.519 33.236 31.823 -0.176 0.000 0.999 410 V HN 0.910 nan 8.190 nan 0.000 0.447 411 D N 4.073 124.542 120.400 0.115 0.000 2.198 411 D HA 0.362 5.009 4.640 0.013 0.000 0.245 411 D C -0.333 176.151 176.300 0.306 0.000 1.079 411 D CA -0.170 53.993 54.000 0.273 0.000 0.854 411 D CB 1.473 42.490 40.800 0.362 0.000 1.148 411 D HN 0.671 nan 8.370 nan 0.000 0.456 412 E N 1.918 122.268 120.200 0.250 0.000 2.210 412 E HA 0.627 4.985 4.350 0.013 0.000 0.266 412 E C -1.085 175.655 176.600 0.233 0.000 0.883 412 E CA -1.080 55.453 56.400 0.223 0.000 0.761 412 E CB 1.404 31.187 29.700 0.139 0.000 1.156 412 E HN 0.484 nan 8.360 nan 0.000 0.412 413 A N 3.704 126.654 122.820 0.216 0.000 2.445 413 A HA 0.072 4.400 4.320 0.013 0.000 0.242 413 A C 0.363 178.072 177.584 0.208 0.000 1.075 413 A CA -0.261 51.883 52.037 0.179 0.000 0.777 413 A CB 0.176 19.247 19.000 0.118 0.000 1.013 413 A HN 0.700 nan 8.150 nan 0.000 0.493 414 N N 1.114 119.943 118.700 0.215 0.000 3.103 414 N HA 0.223 4.970 4.740 0.013 0.000 0.305 414 N C -1.016 174.622 175.510 0.213 0.000 1.232 414 N CA 0.259 53.467 53.050 0.263 0.000 1.190 414 N CB -0.917 37.724 38.487 0.256 0.000 1.461 414 N HN 0.480 nan 8.380 nan 0.000 0.538 415 I N 0.617 121.307 120.570 0.201 0.000 2.497 415 I HA 0.276 4.454 4.170 0.013 0.000 0.284 415 I C -0.562 175.657 176.117 0.169 0.000 1.060 415 I CA -0.601 60.801 61.300 0.170 0.000 1.071 415 I CB 1.782 39.858 38.000 0.126 0.000 1.216 415 I HN 0.177 nan 8.210 nan 0.000 0.442 416 E N 4.246 124.539 120.200 0.156 0.000 2.287 416 E HA 0.348 4.706 4.350 0.013 0.000 0.274 416 E C -0.541 176.121 176.600 0.103 0.000 0.896 416 E CA -0.428 56.034 56.400 0.103 0.000 0.788 416 E CB 1.639 31.377 29.700 0.063 0.000 1.244 416 E HN 0.618 nan 8.360 nan 0.000 0.408 417 T N 0.640 115.247 114.554 0.087 0.000 3.355 417 T HA 0.158 4.516 4.350 0.013 0.000 0.276 417 T C 0.876 175.622 174.700 0.077 0.000 1.003 417 T CA -0.294 61.884 62.100 0.131 0.000 0.943 417 T CB -0.264 68.668 68.868 0.107 0.000 1.158 417 T HN 0.653 nan 8.240 nan 0.000 0.513 418 H N 0.958 119.934 119.070 -0.156 0.000 2.390 418 H HA -0.041 4.523 4.556 0.014 0.000 0.298 418 H C 2.345 177.544 175.328 -0.215 0.000 1.106 418 H CA 1.277 57.208 56.048 -0.196 0.000 1.297 418 H CB -0.188 29.416 29.762 -0.262 0.000 1.375 418 H HN 0.584 nan 8.280 nan 0.000 0.509 419 G N 0.327 108.976 108.800 -0.252 0.000 2.509 419 G HA2 -0.106 3.861 3.960 0.013 0.000 0.218 419 G HA3 -0.106 3.861 3.960 0.013 0.000 0.218 419 G C 0.598 175.612 174.900 0.190 0.000 1.124 419 G CA -0.011 44.971 45.100 -0.197 0.000 0.776 419 G HN 0.152 nan 8.290 nan 0.000 0.547 420 M N 0.218 119.981 119.600 0.270 0.000 2.232 420 M HA 0.310 4.798 4.480 0.013 0.000 0.321 420 M C -0.327 176.013 176.300 0.066 0.000 1.101 420 M CA -0.249 55.152 55.300 0.170 0.000 1.181 420 M CB 1.324 33.981 32.600 0.095 0.000 1.432 420 M HN -0.207 nan 8.290 nan 0.000 0.457 421 V N 4.004 123.935 119.914 0.029 0.000 2.482 421 V HA 0.377 4.504 4.120 0.013 0.000 0.295 421 V C -1.956 174.135 176.094 -0.005 0.000 1.026 421 V CA -1.291 61.012 62.300 0.004 0.000 0.856 421 V CB 1.909 33.729 31.823 -0.005 0.000 1.001 421 V HN 0.739 nan 8.190 nan 0.000 0.424 422 P HA 0.269 nan 4.420 nan 0.000 0.277 422 P C 0.973 178.279 177.300 0.009 0.000 1.276 422 P CA -0.561 62.538 63.100 -0.002 0.000 0.788 422 P CB 0.964 32.663 31.700 -0.002 0.000 1.114 423 M N 0.555 120.165 119.600 0.016 0.000 2.279 423 M HA -0.158 4.330 4.480 0.013 0.000 0.264 423 M C 1.129 177.453 176.300 0.041 0.000 1.062 423 M CA 1.665 56.985 55.300 0.033 0.000 1.099 423 M CB -0.452 32.159 32.600 0.019 0.000 1.394 423 M HN 0.359 nan 8.290 nan 0.000 0.426 424 N N -0.066 118.658 118.700 0.040 0.000 2.313 424 N HA -0.072 4.676 4.740 0.013 0.000 0.207 424 N C 1.112 176.611 175.510 -0.020 0.000 1.141 424 N CA 0.138 53.215 53.050 0.045 0.000 0.830 424 N CB -0.692 37.840 38.487 0.075 0.000 1.008 424 N HN 0.359 nan 8.380 nan 0.000 0.481 425 R N 0.370 120.845 120.500 -0.042 0.000 2.103 425 R HA -0.007 4.341 4.340 0.013 0.000 0.242 425 R C 1.491 177.700 176.300 -0.152 0.000 1.142 425 R CA 1.412 57.464 56.100 -0.080 0.000 0.960 425 R CB -0.030 30.222 30.300 -0.080 0.000 0.858 425 R HN 0.287 nan 8.270 nan 0.000 0.439 426 L N -0.712 120.364 121.223 -0.245 0.000 2.202 426 L HA -0.005 4.343 4.340 0.013 0.000 0.205 426 L C 2.458 179.180 176.870 -0.246 0.000 1.083 426 L CA 1.283 55.846 54.840 -0.461 0.000 0.790 426 L CB -0.471 41.065 42.059 -0.872 0.000 0.942 426 L HN 0.371 nan 8.230 nan 0.000 0.452 427 T N -4.348 110.109 114.554 -0.162 0.000 3.035 427 T HA -0.161 4.197 4.350 0.013 0.000 0.268 427 T C 1.257 175.880 174.700 -0.129 0.000 1.109 427 T CA 1.169 63.167 62.100 -0.170 0.000 1.119 427 T CB -0.200 68.556 68.868 -0.187 0.000 0.900 427 T HN 0.104 nan 8.240 nan 0.000 0.503 428 D N 1.118 121.473 120.400 -0.075 0.000 2.349 428 D HA 0.098 4.746 4.640 0.013 0.000 0.214 428 D C -0.231 176.052 176.300 -0.028 0.000 1.063 428 D CA -0.204 53.762 54.000 -0.058 0.000 0.847 428 D CB -0.078 40.693 40.800 -0.048 0.000 0.933 428 D HN 0.320 nan 8.370 nan 0.000 0.513 429 D N -0.003 120.395 120.400 -0.003 0.000 2.359 429 D HA 0.114 4.762 4.640 0.013 0.000 0.230 429 D C -1.635 174.723 176.300 0.096 0.000 1.118 429 D CA -2.264 51.774 54.000 0.063 0.000 0.844 429 D CB 1.870 42.742 40.800 0.120 0.000 1.059 429 D HN -0.033 nan 8.370 nan 0.000 0.493 430 P HA -0.178 nan 4.420 nan 0.000 0.220 430 P C 1.285 178.598 177.300 0.021 0.000 1.144 430 P CA 0.694 63.808 63.100 0.023 0.000 0.800 430 P CB 0.179 31.881 31.700 0.002 0.000 0.772 431 R N -0.948 119.578 120.500 0.043 0.000 2.189 431 R HA -0.111 4.237 4.340 0.013 0.000 0.223 431 R C 1.148 177.339 176.300 -0.182 0.000 1.092 431 R CA 1.126 57.185 56.100 -0.068 0.000 0.989 431 R CB -0.494 29.750 30.300 -0.094 0.000 0.876 431 R HN 0.199 nan 8.270 nan 0.000 0.457 432 W N 0.008 121.256 121.300 -0.086 0.000 3.278 432 W HA 0.134 4.801 4.660 0.012 0.000 0.308 432 W C 1.397 177.861 176.519 -0.091 0.000 1.253 432 W CA -0.600 56.694 57.345 -0.085 0.000 1.759 432 W CB 0.152 29.561 29.460 -0.084 0.000 1.093 432 W HN 0.085 nan 8.180 nan 0.000 0.648 433 L N 2.149 123.414 121.223 0.071 0.000 2.083 433 L HA -0.050 4.298 4.340 0.013 0.000 0.209 433 L C -0.719 176.125 176.870 -0.044 0.000 1.083 433 L CA 2.195 57.033 54.840 -0.003 0.000 0.752 433 L CB -1.486 40.558 42.059 -0.025 0.000 0.899 433 L HN -0.237 nan 8.230 nan 0.000 0.433 434 P HA -0.084 nan 4.420 nan 0.000 0.216 434 P C 1.583 178.836 177.300 -0.078 0.000 1.153 434 P CA 1.922 64.966 63.100 -0.092 0.000 0.844 434 P CB -0.190 31.446 31.700 -0.107 0.000 0.787 435 A N -0.776 122.014 122.820 -0.051 0.000 1.902 435 A HA -0.184 4.144 4.320 0.013 0.000 0.217 435 A C 2.244 179.849 177.584 0.034 0.000 1.181 435 A CA 1.848 53.890 52.037 0.008 0.000 0.623 435 A CB -1.474 17.567 19.000 0.067 0.000 0.818 435 A HN 0.089 nan 8.150 nan 0.000 0.443 436 M N 0.150 119.779 119.600 0.047 0.000 2.117 436 M HA -0.159 4.328 4.480 0.013 0.000 0.262 436 M C 2.592 178.842 176.300 -0.083 0.000 1.065 436 M CA 1.855 57.154 55.300 -0.001 0.000 1.114 436 M CB -0.404 32.172 32.600 -0.039 0.000 1.361 436 M HN 0.668 nan 8.290 nan 0.000 0.408 437 S N 0.342 115.966 115.700 -0.127 0.000 2.370 437 S HA -0.188 4.290 4.470 0.013 0.000 0.226 437 S C 1.616 176.048 174.600 -0.281 0.000 1.033 437 S CA 1.518 59.575 58.200 -0.238 0.000 1.011 437 S CB -0.575 62.461 63.200 -0.273 0.000 0.852 437 S HN 0.524 nan 8.310 nan 0.000 0.457 438 E N 0.916 121.000 120.200 -0.193 0.000 2.150 438 E HA -0.067 4.291 4.350 0.013 0.000 0.193 438 E C 2.414 178.928 176.600 -0.144 0.000 0.985 438 E CA 0.785 57.077 56.400 -0.180 0.000 0.814 438 E CB -0.130 29.503 29.700 -0.111 0.000 0.752 438 E HN 0.589 nan 8.360 nan 0.000 0.466 439 R N 0.180 120.627 120.500 -0.088 0.000 2.115 439 R HA -0.082 4.266 4.340 0.013 0.000 0.230 439 R C 2.272 178.535 176.300 -0.062 0.000 1.111 439 R CA 0.762 56.842 56.100 -0.034 0.000 0.976 439 R CB -0.023 30.298 30.300 0.035 0.000 0.870 439 R HN 0.018 nan 8.270 nan 0.000 0.445 440 V N 0.166 119.998 119.914 -0.137 0.000 2.341 440 V HA -0.187 3.940 4.120 0.013 0.000 0.240 440 V C 2.546 178.467 176.094 -0.289 0.000 1.035 440 V CA 2.124 64.321 62.300 -0.172 0.000 1.033 440 V CB -0.394 31.316 31.823 -0.188 0.000 0.678 440 V HN 0.519 nan 8.190 nan 0.000 0.464 441 T N -0.490 113.761 114.554 -0.505 0.000 2.720 441 T HA -0.274 4.084 4.350 0.013 0.000 0.268 441 T C 1.915 176.457 174.700 -0.264 0.000 1.037 441 T CA 1.617 63.331 62.100 -0.643 0.000 1.144 441 T CB -0.452 67.804 68.868 -1.020 0.000 0.864 441 T HN 0.409 nan 8.240 nan 0.000 0.444 442 R N 0.143 120.515 120.500 -0.214 0.000 2.189 442 R HA 0.245 4.593 4.340 0.013 0.000 0.218 442 R C 2.607 178.829 176.300 -0.129 0.000 1.074 442 R CA 1.161 57.171 56.100 -0.150 0.000 0.991 442 R CB -0.404 29.817 30.300 -0.132 0.000 0.883 442 R HN 0.509 nan 8.270 nan 0.000 0.457 443 M N 0.484 120.012 119.600 -0.120 0.000 2.123 443 M HA -0.119 4.369 4.480 0.013 0.000 0.263 443 M C 1.816 178.036 176.300 -0.134 0.000 1.069 443 M CA 1.564 56.822 55.300 -0.071 0.000 1.133 443 M CB 0.141 32.742 32.600 0.002 0.000 1.356 443 M HN -0.035 nan 8.290 nan 0.000 0.415 444 V N 1.211 120.942 119.914 -0.305 0.000 2.287 444 V HA -0.306 3.822 4.120 0.013 0.000 0.248 444 V C 2.240 178.217 176.094 -0.194 0.000 1.053 444 V CA 2.091 64.087 62.300 -0.507 0.000 1.027 444 V CB -0.985 30.492 31.823 -0.577 0.000 0.646 444 V HN 0.593 nan 8.190 nan 0.000 0.447 445 Q N -0.749 118.973 119.800 -0.129 0.000 2.226 445 Q HA -0.223 4.125 4.340 0.013 0.000 0.204 445 Q C 2.429 178.337 176.000 -0.154 0.000 0.975 445 Q CA 1.474 57.207 55.803 -0.117 0.000 0.866 445 Q CB -0.173 28.517 28.738 -0.079 0.000 0.915 445 Q HN 0.543 nan 8.270 nan 0.000 0.440 446 R N 0.263 120.671 120.500 -0.154 0.000 2.090 446 R HA -0.074 4.274 4.340 0.013 0.000 0.219 446 R C 0.545 176.766 176.300 -0.131 0.000 1.100 446 R CA 1.198 57.184 56.100 -0.192 0.000 0.991 446 R CB 0.452 30.640 30.300 -0.188 0.000 0.893 446 R HN 0.140 nan 8.270 nan 0.000 0.443 447 D N 0.007 120.394 120.400 -0.021 0.000 2.369 447 D HA -0.015 4.633 4.640 0.013 0.000 0.211 447 D C 1.352 177.758 176.300 0.176 0.000 1.077 447 D CA 0.146 54.183 54.000 0.062 0.000 0.842 447 D CB 0.209 41.007 40.800 -0.004 0.000 0.947 447 D HN 0.361 nan 8.370 nan 0.000 0.509 448 R N 0.594 121.209 120.500 0.192 0.000 2.241 448 R HA -0.006 4.342 4.340 0.013 0.000 0.224 448 R C 0.699 177.005 176.300 0.010 0.000 1.101 448 R CA 0.904 57.131 56.100 0.212 0.000 0.995 448 R CB -0.220 30.152 30.300 0.119 0.000 0.870 448 R HN -0.085 nan 8.270 nan 0.000 0.463 449 N N 0.099 118.734 118.700 -0.109 0.000 2.280 449 N HA 0.012 4.760 4.740 0.013 0.000 0.192 449 N C -0.562 174.818 175.510 -0.217 0.000 1.109 449 N CA 0.185 53.139 53.050 -0.160 0.000 0.855 449 N CB 0.137 38.505 38.487 -0.199 0.000 0.974 449 N HN 0.251 nan 8.380 nan 0.000 0.482 450 H N 1.551 120.561 119.070 -0.100 0.000 2.800 450 H HA 0.095 4.658 4.556 0.013 0.000 0.291 450 H C -1.181 173.997 175.328 -0.250 0.000 1.076 450 H CA -1.297 54.674 56.048 -0.128 0.000 1.452 450 H CB 1.414 31.132 29.762 -0.074 0.000 1.461 450 H HN 0.080 nan 8.280 nan 0.000 0.488 451 P HA -0.163 nan 4.420 nan 0.000 0.219 451 P C 1.378 178.182 177.300 -0.826 0.000 1.146 451 P CA 1.170 63.903 63.100 -0.611 0.000 0.808 451 P CB 0.302 31.395 31.700 -1.011 0.000 0.779 452 S N -0.630 114.715 115.700 -0.591 0.000 2.399 452 S HA -0.052 4.426 4.470 0.013 0.000 0.231 452 S C 1.170 175.734 174.600 -0.060 0.000 1.022 452 S CA 0.428 58.449 58.200 -0.299 0.000 0.983 452 S CB -1.587 61.609 63.200 -0.007 0.000 0.803 452 S HN -0.043 nan 8.310 nan 0.000 0.480 453 V N 3.904 123.762 119.914 -0.093 0.000 2.446 453 V HA 0.182 4.310 4.120 0.013 0.000 0.276 453 V C 1.161 177.123 176.094 -0.219 0.000 1.030 453 V CA 0.155 62.372 62.300 -0.139 0.000 1.033 453 V CB 0.224 31.879 31.823 -0.281 0.000 0.993 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.597 123.098 120.570 -0.115 0.000 4.187 454 I HA 0.501 4.679 4.170 0.013 0.000 0.326 454 I C 0.391 176.404 176.117 -0.174 0.000 1.302 454 I CA 0.502 61.741 61.300 -0.101 0.000 1.196 454 I CB 0.494 38.518 38.000 0.041 0.000 1.095 454 I HN 0.330 nan 8.210 nan 0.000 0.411 455 I N 0.126 120.571 120.570 -0.209 0.000 2.722 455 I HA 0.368 4.546 4.170 0.013 0.000 0.295 455 I C -1.497 174.502 176.117 -0.197 0.000 1.161 455 I CA -0.405 60.800 61.300 -0.158 0.000 1.032 455 I CB 2.165 40.168 38.000 0.005 0.000 1.244 455 I HN 0.019 nan 8.210 nan 0.000 0.421 456 W N 3.796 125.143 121.300 0.079 0.000 2.438 456 W HA 0.619 5.286 4.660 0.011 0.000 0.324 456 W C 0.398 176.979 176.519 0.103 0.000 1.119 456 W CA -0.518 56.880 57.345 0.087 0.000 1.221 456 W CB 1.669 31.175 29.460 0.076 0.000 1.253 456 W HN 0.299 nan 8.180 nan 0.000 0.555 457 S N 2.627 118.556 115.700 0.380 0.000 2.500 457 S HA 0.407 4.884 4.470 0.013 0.000 0.301 457 S C 0.237 175.001 174.600 0.273 0.000 1.092 457 S CA -0.735 57.637 58.200 0.287 0.000 1.030 457 S CB 0.796 64.122 63.200 0.211 0.000 1.031 457 S HN 0.558 nan 8.310 nan 0.000 0.483 458 L N 3.974 125.341 121.223 0.241 0.000 2.610 458 L HA 0.365 4.712 4.340 0.013 0.000 0.232 458 L C 1.373 178.290 176.870 0.078 0.000 1.149 458 L CA 0.386 55.283 54.840 0.096 0.000 0.872 458 L CB -1.325 40.687 42.059 -0.079 0.000 0.992 458 L HN 0.971 nan 8.230 nan 0.000 0.447 459 G N 0.187 109.123 108.800 0.227 0.000 2.280 459 G HA2 -0.113 3.854 3.960 0.013 0.000 0.277 459 G HA3 -0.113 3.854 3.960 0.013 0.000 0.277 459 G C -1.672 173.433 174.900 0.342 0.000 1.288 459 G CA -0.526 44.721 45.100 0.245 0.000 1.075 459 G HN 0.198 nan 8.290 nan 0.000 0.480 460 N N -0.072 118.775 118.700 0.246 0.000 2.405 460 N HA 0.464 5.212 4.740 0.013 0.000 0.274 460 N C -0.461 175.004 175.510 -0.075 0.000 1.170 460 N CA 0.116 53.160 53.050 -0.010 0.000 0.848 460 N CB 1.624 39.844 38.487 -0.445 0.000 1.629 460 N HN 0.901 nan 8.380 nan 0.000 0.481 461 E N 0.606 120.658 120.200 -0.248 0.000 2.160 461 E HA -0.177 4.181 4.350 0.013 0.000 0.180 461 E C -0.862 175.638 176.600 -0.167 0.000 1.452 461 E CA 0.871 57.036 56.400 -0.392 0.000 0.683 461 E CB -1.256 27.973 29.700 -0.786 0.000 1.072 461 E HN 0.449 nan 8.360 nan 0.000 0.332 462 S N 0.009 115.755 115.700 0.076 0.000 2.902 462 S HA 0.402 4.880 4.470 0.013 0.000 0.250 462 S C 0.608 175.365 174.600 0.261 0.000 1.046 462 S CA -0.257 58.054 58.200 0.185 0.000 1.069 462 S CB 1.386 64.754 63.200 0.280 0.000 0.967 462 S HN 0.826 nan 8.310 nan 0.000 0.530 463 G N 2.033 110.916 108.800 0.138 0.000 2.622 463 G HA2 -0.279 3.689 3.960 0.013 0.000 0.272 463 G HA3 -0.279 3.689 3.960 0.013 0.000 0.272 463 G C -0.481 174.617 174.900 0.331 0.000 1.308 463 G CA -0.108 45.082 45.100 0.150 0.000 0.919 463 G HN 0.685 nan 8.290 nan 0.000 0.565 464 H N 0.411 119.597 119.070 0.194 0.000 2.708 464 H HA 0.575 5.138 4.556 0.012 0.000 0.320 464 H C 0.408 175.901 175.328 0.275 0.000 0.991 464 H CA -0.198 56.009 56.048 0.266 0.000 1.243 464 H CB 0.562 30.416 29.762 0.153 0.000 1.446 464 H HN 0.971 nan 8.280 nan 0.000 0.502 465 G N 1.589 110.532 108.800 0.239 0.000 2.630 465 G HA2 0.437 4.405 3.960 0.013 0.000 0.296 465 G HA3 0.437 4.405 3.960 0.013 0.000 0.296 465 G C 0.528 175.336 174.900 -0.153 0.000 1.285 465 G CA -0.167 44.879 45.100 -0.091 0.000 0.958 465 G HN 0.680 nan 8.290 nan 0.000 0.479 466 A N 0.230 122.966 122.820 -0.140 0.000 2.024 466 A HA -0.090 4.238 4.320 0.013 0.000 0.220 466 A C 2.067 179.636 177.584 -0.025 0.000 1.164 466 A CA 1.861 53.858 52.037 -0.066 0.000 0.643 466 A CB -0.393 18.580 19.000 -0.045 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.452 118.195 118.700 -0.089 0.000 2.309 467 N HA -0.107 4.640 4.740 0.013 0.000 0.182 467 N C 1.332 176.779 175.510 -0.104 0.000 1.018 467 N CA 1.456 54.440 53.050 -0.110 0.000 0.876 467 N CB -0.597 37.783 38.487 -0.178 0.000 0.972 467 N HN 0.780 nan 8.380 nan 0.000 0.434 468 H N 0.203 119.281 119.070 0.013 0.000 2.357 468 H HA -0.016 4.548 4.556 0.013 0.000 0.301 468 H C 1.205 176.610 175.328 0.129 0.000 1.082 468 H CA 1.211 57.273 56.048 0.023 0.000 1.342 468 H CB 0.204 30.002 29.762 0.060 0.000 1.389 468 H HN 0.151 nan 8.280 nan 0.000 0.511 469 D N 0.328 120.896 120.400 0.281 0.000 2.117 469 D HA -0.132 4.516 4.640 0.013 0.000 0.197 469 D C 2.294 178.743 176.300 0.248 0.000 0.987 469 D CA 1.197 55.347 54.000 0.249 0.000 0.829 469 D CB -0.425 40.490 40.800 0.191 0.000 0.961 469 D HN 0.422 nan 8.370 nan 0.000 0.460 470 A N 0.748 123.667 122.820 0.166 0.000 1.877 470 A HA -0.121 4.206 4.320 0.013 0.000 0.216 470 A C 2.412 180.110 177.584 0.190 0.000 1.186 470 A CA 0.973 53.100 52.037 0.151 0.000 0.620 470 A CB -0.773 18.273 19.000 0.076 0.000 0.822 470 A HN 0.212 nan 8.150 nan 0.000 0.443 471 L N -2.102 119.216 121.223 0.158 0.000 2.156 471 L HA -0.147 4.201 4.340 0.013 0.000 0.208 471 L C 2.576 179.598 176.870 0.252 0.000 1.095 471 L CA 1.534 56.470 54.840 0.160 0.000 0.770 471 L CB -0.667 41.415 42.059 0.038 0.000 0.914 471 L HN 0.625 nan 8.230 nan 0.000 0.439 472 Y N 1.198 121.583 120.300 0.142 0.000 2.145 472 Y HA -0.307 4.249 4.550 0.010 0.000 0.286 472 Y C 2.816 178.798 175.900 0.136 0.000 1.145 472 Y CA 1.654 59.839 58.100 0.140 0.000 1.148 472 Y CB -0.122 38.420 38.460 0.137 0.000 0.981 472 Y HN -0.047 nan 8.280 nan 0.000 0.507 473 R N -0.068 120.601 120.500 0.282 0.000 2.096 473 R HA -0.208 4.140 4.340 0.013 0.000 0.235 473 R C 2.016 178.336 176.300 0.033 0.000 1.127 473 R CA 1.932 58.102 56.100 0.117 0.000 0.968 473 R CB -1.458 28.968 30.300 0.210 0.000 0.861 473 R HN 0.659 nan 8.270 nan 0.000 0.440 474 W N 0.395 121.663 121.300 -0.052 0.000 2.338 474 W HA -0.139 4.529 4.660 0.014 0.000 0.304 474 W C 1.593 178.024 176.519 -0.147 0.000 1.212 474 W CA 1.891 59.185 57.345 -0.084 0.000 1.264 474 W CB -0.188 29.225 29.460 -0.078 0.000 1.142 474 W HN 0.081 nan 8.180 nan 0.000 0.512 475 I N 0.728 121.299 120.570 0.002 0.000 2.252 475 I HA -0.318 3.860 4.170 0.013 0.000 0.245 475 I C 2.406 178.320 176.117 -0.338 0.000 1.102 475 I CA 1.181 62.322 61.300 -0.265 0.000 1.385 475 I CB -0.681 37.230 38.000 -0.148 0.000 1.064 475 I HN -0.130 nan 8.210 nan 0.000 0.414 476 K N 0.649 120.860 120.400 -0.315 0.000 2.103 476 K HA -0.115 4.213 4.320 0.013 0.000 0.207 476 K C 2.249 178.714 176.600 -0.224 0.000 1.048 476 K CA 1.371 57.495 56.287 -0.272 0.000 0.930 476 K CB -0.466 31.845 32.500 -0.315 0.000 0.716 476 K HN 0.248 nan 8.250 nan 0.000 0.444 477 S N 0.679 116.213 115.700 -0.276 0.000 2.362 477 S HA -0.045 4.433 4.470 0.013 0.000 0.221 477 S C 2.197 176.594 174.600 -0.338 0.000 1.032 477 S CA 0.755 58.798 58.200 -0.261 0.000 0.973 477 S CB -0.057 62.992 63.200 -0.250 0.000 0.849 477 S HN -0.000 nan 8.310 nan 0.000 0.465 478 V N 1.300 120.871 119.914 -0.571 0.000 2.453 478 V HA -0.011 4.116 4.120 0.013 0.000 0.247 478 V C 0.506 176.364 176.094 -0.393 0.000 1.048 478 V CA 1.285 63.209 62.300 -0.627 0.000 1.049 478 V CB -0.241 30.849 31.823 -1.221 0.000 0.672 478 V HN 0.403 nan 8.190 nan 0.000 0.457 479 D N -1.267 118.954 120.400 -0.299 0.000 2.330 479 D HA 0.259 4.907 4.640 0.013 0.000 0.249 479 D C -2.387 173.897 176.300 -0.026 0.000 1.306 479 D CA -1.683 52.251 54.000 -0.111 0.000 0.956 479 D CB 1.768 42.585 40.800 0.028 0.000 1.261 479 D HN 0.067 nan 8.370 nan 0.000 0.544 480 P HA 0.003 nan 4.420 nan 0.000 0.245 480 P C 1.141 178.459 177.300 0.029 0.000 1.212 480 P CA 0.429 63.522 63.100 -0.012 0.000 0.774 480 P CB 0.226 31.912 31.700 -0.023 0.000 0.999 481 S N -1.338 114.391 115.700 0.047 0.000 2.522 481 S HA 0.072 4.550 4.470 0.013 0.000 0.227 481 S C 0.871 175.499 174.600 0.046 0.000 0.986 481 S CA 0.004 58.236 58.200 0.054 0.000 0.929 481 S CB -0.307 62.920 63.200 0.045 0.000 0.769 481 S HN 0.044 nan 8.310 nan 0.000 0.529 482 R N 1.066 121.603 120.500 0.063 0.000 2.628 482 R HA 0.555 4.903 4.340 0.013 0.000 0.288 482 R C -3.209 173.139 176.300 0.081 0.000 0.980 482 R CA -2.272 53.833 56.100 0.007 0.000 0.891 482 R CB 1.495 31.678 30.300 -0.194 0.000 1.188 482 R HN 0.134 nan 8.270 nan 0.000 0.450 483 P HA 0.061 nan 4.420 nan 0.000 0.269 483 P C -0.824 176.570 177.300 0.157 0.000 1.215 483 P CA -0.296 62.862 63.100 0.096 0.000 0.780 483 P CB 0.684 32.427 31.700 0.071 0.000 0.898 484 V N 2.833 122.865 119.914 0.198 0.000 2.459 484 V HA 0.423 4.550 4.120 0.013 0.000 0.295 484 V C 0.262 176.531 176.094 0.291 0.000 1.029 484 V CA -0.300 62.165 62.300 0.275 0.000 0.874 484 V CB 1.151 33.105 31.823 0.219 0.000 0.985 484 V HN 0.608 nan 8.190 nan 0.000 0.438 485 Q N 3.616 123.572 119.800 0.260 0.000 2.496 485 Q HA 0.829 5.177 4.340 0.013 0.000 0.286 485 Q C -1.792 174.368 176.000 0.267 0.000 1.103 485 Q CA -0.957 54.969 55.803 0.206 0.000 0.813 485 Q CB 2.963 31.770 28.738 0.115 0.000 1.444 485 Q HN 0.637 nan 8.270 nan 0.000 0.443 486 Y N -0.115 120.190 120.300 0.008 0.000 2.337 486 Y HA 0.134 4.691 4.550 0.012 0.000 0.318 486 Y C -0.799 175.037 175.900 -0.107 0.000 1.258 486 Y CA -0.741 57.329 58.100 -0.049 0.000 1.132 486 Y CB 1.864 40.276 38.460 -0.080 0.000 1.307 486 Y HN 0.955 nan 8.280 nan 0.000 0.428 487 E N 3.366 123.106 120.200 -0.768 0.000 2.400 487 E HA 0.156 4.514 4.350 0.013 0.000 0.195 487 E C 0.638 176.791 176.600 -0.744 0.000 1.012 487 E CA 0.679 56.723 56.400 -0.594 0.000 0.875 487 E CB 0.310 29.784 29.700 -0.376 0.000 0.859 487 E HN 0.883 nan 8.360 nan 0.000 0.498 488 G N -0.155 107.765 108.800 -1.466 0.000 2.559 488 G HA2 0.247 4.215 3.960 0.013 0.000 0.235 488 G HA3 0.247 4.215 3.960 0.013 0.000 0.235 488 G C 0.811 175.547 174.900 -0.274 0.000 1.266 488 G CA 0.240 44.904 45.100 -0.726 0.000 0.847 488 G HN 0.311 nan 8.290 nan 0.000 0.583 489 G N -0.676 108.078 108.800 -0.077 0.000 2.153 489 G HA2 0.224 4.192 3.960 0.013 0.000 0.252 489 G HA3 0.224 4.192 3.960 0.013 0.000 0.252 489 G C 1.254 176.173 174.900 0.032 0.000 0.994 489 G CA 1.036 46.166 45.100 0.050 0.000 0.698 489 G HN 2.608 nan 8.290 nan 0.000 0.521 490 G N -1.572 107.234 108.800 0.010 0.000 2.205 490 G HA2 0.432 4.400 3.960 0.013 0.000 0.180 490 G HA3 0.432 4.400 3.960 0.013 0.000 0.180 490 G C 1.100 176.128 174.900 0.214 0.000 1.004 490 G CA 1.247 46.419 45.100 0.121 0.000 0.670 490 G HN 2.319 nan 8.290 nan 0.000 0.496 491 A N -0.172 122.657 122.820 0.015 0.000 3.420 491 A HA -0.144 4.184 4.320 0.013 0.000 0.269 491 A C 1.109 178.643 177.584 -0.084 0.000 1.122 491 A CA 2.672 54.660 52.037 -0.081 0.000 1.023 491 A CB -1.749 17.206 19.000 -0.075 0.000 1.099 491 A HN 2.082 nan 8.150 nan 0.000 0.860 492 D N -1.009 119.424 120.400 0.056 0.000 2.760 492 D HA 0.310 4.958 4.640 0.013 0.000 0.314 492 D C 0.433 176.745 176.300 0.019 0.000 1.464 492 D CA 0.770 54.801 54.000 0.052 0.000 0.797 492 D CB -1.134 39.833 40.800 0.278 0.000 1.149 492 D HN 0.777 nan 8.370 nan 0.000 0.455 493 T N -2.383 112.118 114.554 -0.087 0.000 2.715 493 T HA 0.207 4.564 4.350 0.013 0.000 0.320 493 T C 1.537 176.123 174.700 -0.191 0.000 1.046 493 T CA 0.429 62.424 62.100 -0.175 0.000 0.983 493 T CB 0.632 69.171 68.868 -0.548 0.000 1.183 493 T HN 0.079 nan 8.240 nan 0.000 0.522 494 T N -2.797 111.642 114.554 -0.193 0.000 3.215 494 T HA 0.318 4.675 4.350 0.013 0.000 0.254 494 T C 1.294 175.748 174.700 -0.409 0.000 1.149 494 T CA 0.096 62.082 62.100 -0.191 0.000 1.042 494 T CB -0.512 68.326 68.868 -0.050 0.000 0.966 494 T HN 0.826 nan 8.240 nan 0.000 0.534 495 A N 0.439 123.009 122.820 -0.417 0.000 2.545 495 A HA 0.544 4.872 4.320 0.013 0.000 0.277 495 A C 0.704 178.130 177.584 -0.262 0.000 1.301 495 A CA -0.407 51.356 52.037 -0.458 0.000 0.935 495 A CB 0.178 19.123 19.000 -0.092 0.000 1.093 495 A HN 0.425 nan 8.150 nan 0.000 0.519 496 T N -1.374 113.040 114.554 -0.232 0.000 2.971 496 T HA 0.364 4.722 4.350 0.013 0.000 0.304 496 T C -0.612 174.121 174.700 0.055 0.000 1.038 496 T CA -0.403 61.708 62.100 0.018 0.000 1.007 496 T CB 1.242 70.108 68.868 -0.004 0.000 1.055 496 T HN 0.074 nan 8.240 nan 0.000 0.451 497 D N 2.905 123.413 120.400 0.180 0.000 2.347 497 D HA 0.264 4.911 4.640 0.013 0.000 0.213 497 D C 0.370 176.703 176.300 0.056 0.000 0.985 497 D CA 0.758 54.846 54.000 0.146 0.000 0.879 497 D CB 0.383 41.295 40.800 0.187 0.000 0.919 497 D HN 0.550 nan 8.370 nan 0.000 0.526 498 I N 0.989 121.574 120.570 0.026 0.000 2.498 498 I HA 0.251 4.428 4.170 0.013 0.000 0.290 498 I C -0.217 175.838 176.117 -0.103 0.000 1.032 498 I CA -0.865 60.415 61.300 -0.033 0.000 1.073 498 I CB 2.846 40.839 38.000 -0.012 0.000 1.251 498 I HN -0.350 nan 8.210 nan 0.000 0.426 499 I N 5.824 126.283 120.570 -0.185 0.000 2.483 499 I HA 0.042 4.219 4.170 0.013 0.000 0.291 499 I C 0.248 176.152 176.117 -0.355 0.000 1.112 499 I CA -0.017 61.072 61.300 -0.350 0.000 1.350 499 I CB 0.053 37.720 38.000 -0.555 0.000 1.419 499 I HN 0.671 nan 8.210 nan 0.000 0.523 500 C N 5.841 124.961 119.300 -0.299 0.000 3.276 500 C HA 0.470 4.938 4.460 0.013 0.000 0.226 500 C C -1.985 172.879 174.990 -0.209 0.000 1.502 500 C CA -2.358 56.535 59.018 -0.210 0.000 1.488 500 C CB -1.016 26.658 27.740 -0.110 0.000 2.014 500 C HN 0.422 nan 8.230 nan 0.000 0.492 501 P HA 0.262 nan 4.420 nan 0.000 0.273 501 P C -0.444 176.815 177.300 -0.069 0.000 1.250 501 P CA 0.362 63.377 63.100 -0.140 0.000 0.793 501 P CB 0.754 32.398 31.700 -0.094 0.000 1.011 502 M N 0.069 119.658 119.600 -0.019 0.000 2.181 502 M HA 0.432 4.920 4.480 0.013 0.000 0.323 502 M C -0.865 175.425 176.300 -0.017 0.000 1.004 502 M CA -0.670 54.523 55.300 -0.179 0.000 0.941 502 M CB 1.239 33.743 32.600 -0.161 0.000 1.579 502 M HN 0.327 nan 8.290 nan 0.000 0.427 503 Y N -0.128 120.331 120.300 0.266 0.000 4.272 503 Y HA -0.215 4.343 4.550 0.014 0.000 0.232 503 Y C 0.477 176.539 175.900 0.271 0.000 1.149 503 Y CA 0.466 58.718 58.100 0.253 0.000 1.961 503 Y CB -2.256 36.299 38.460 0.158 0.000 1.611 503 Y HN 0.977 nan 8.280 nan 0.000 0.682 504 A N 0.975 124.005 122.820 0.351 0.000 2.371 504 A HA 0.635 4.963 4.320 0.013 0.000 0.257 504 A C 0.710 178.513 177.584 0.365 0.000 1.089 504 A CA -0.495 51.760 52.037 0.363 0.000 0.794 504 A CB 0.477 19.740 19.000 0.439 0.000 1.029 504 A HN 0.415 nan 8.150 nan 0.000 0.488 505 R N 1.021 121.668 120.500 0.244 0.000 2.546 505 R HA 0.354 4.702 4.340 0.013 0.000 0.266 505 R C 0.961 177.230 176.300 -0.050 0.000 1.086 505 R CA -0.718 55.453 56.100 0.119 0.000 1.160 505 R CB 0.651 30.987 30.300 0.061 0.000 1.138 505 R HN 0.477 nan 8.270 nan 0.000 0.567 506 V N 0.551 120.276 119.914 -0.316 0.000 2.323 506 V HA -0.178 3.950 4.120 0.013 0.000 0.244 506 V C 0.908 176.889 176.094 -0.188 0.000 1.041 506 V CA 1.822 63.906 62.300 -0.361 0.000 1.025 506 V CB -0.257 31.219 31.823 -0.579 0.000 0.656 506 V HN 0.730 nan 8.190 nan 0.000 0.451 507 D N -1.341 118.980 120.400 -0.131 0.000 2.454 507 D HA 0.096 4.744 4.640 0.013 0.000 0.219 507 D C 0.939 177.224 176.300 -0.026 0.000 1.081 507 D CA 0.066 54.023 54.000 -0.071 0.000 0.867 507 D CB 0.596 41.358 40.800 -0.063 0.000 1.054 507 D HN 0.484 nan 8.370 nan 0.000 0.500 508 E N 1.985 122.172 120.200 -0.021 0.000 2.194 508 E HA 0.081 4.439 4.350 0.013 0.000 0.284 508 E C -0.743 175.855 176.600 -0.002 0.000 1.035 508 E CA -0.549 55.846 56.400 -0.009 0.000 0.836 508 E CB 0.743 30.437 29.700 -0.011 0.000 1.070 508 E HN -0.169 nan 8.360 nan 0.000 0.401 509 D N 3.933 124.335 120.400 0.004 0.000 2.341 509 D HA 0.089 4.737 4.640 0.013 0.000 0.245 509 D C -0.551 175.640 176.300 -0.181 0.000 1.106 509 D CA 0.264 54.257 54.000 -0.012 0.000 0.905 509 D CB 1.152 42.011 40.800 0.097 0.000 1.202 509 D HN 0.448 nan 8.370 nan 0.000 0.426 510 Q N 1.727 121.301 119.800 -0.377 0.000 2.674 510 Q HA 0.246 4.594 4.340 0.013 0.000 0.249 510 Q C -2.170 173.208 176.000 -1.037 0.000 1.011 510 Q CA -1.540 53.844 55.803 -0.697 0.000 0.734 510 Q CB 2.212 30.521 28.738 -0.716 0.000 1.201 510 Q HN 0.174 nan 8.270 nan 0.000 0.498 511 P HA -0.014 nan 4.420 nan 0.000 0.228 511 P C -0.685 176.292 177.300 -0.538 0.000 1.748 511 P CA -0.108 62.543 63.100 -0.749 0.000 0.909 511 P CB -0.589 30.868 31.700 -0.405 0.000 1.882 512 F N 2.615 122.379 119.950 -0.310 0.000 2.602 512 F HA 0.098 4.632 4.527 0.012 0.000 0.367 512 F C -0.943 174.747 175.800 -0.183 0.000 1.126 512 F CA -2.027 55.855 58.000 -0.197 0.000 1.321 512 F CB -0.686 38.219 39.000 -0.157 0.000 1.094 512 F HN 0.103 nan 8.300 nan 0.000 0.594 513 P HA 0.111 nan 4.420 nan 0.000 0.271 513 P C 0.321 177.641 177.300 0.032 0.000 1.218 513 P CA 0.830 63.945 63.100 0.025 0.000 0.780 513 P CB 1.338 33.055 31.700 0.027 0.000 0.901 514 A N 2.709 125.541 122.820 0.021 0.000 3.292 514 A HA -0.254 4.074 4.320 0.013 0.000 0.241 514 A C 0.776 178.378 177.584 0.030 0.000 0.569 514 A CA 2.118 54.174 52.037 0.031 0.000 1.149 514 A CB -2.737 16.281 19.000 0.031 0.000 1.321 514 A HN 0.737 nan 8.150 nan 0.000 0.679 515 V N -3.235 116.690 119.914 0.019 0.000 2.468 515 V HA 0.550 4.678 4.120 0.013 0.000 0.256 515 V C -2.437 173.657 176.094 -0.000 0.000 0.998 515 V CA -1.284 61.027 62.300 0.018 0.000 1.114 515 V CB 0.583 32.414 31.823 0.014 0.000 1.378 515 V HN 0.450 nan 8.190 nan 0.000 0.573 516 P HA 0.222 nan 4.420 nan 0.000 0.269 516 P C -0.547 176.366 177.300 -0.644 0.000 1.215 516 P CA 0.250 62.998 63.100 -0.587 0.000 0.780 516 P CB 0.894 31.733 31.700 -1.435 0.000 0.898 517 K N 2.316 122.411 120.400 -0.509 0.000 2.423 517 K HA 0.199 4.527 4.320 0.013 0.000 0.234 517 K C -0.347 175.989 176.600 -0.441 0.000 1.051 517 K CA -0.283 55.874 56.287 -0.216 0.000 1.021 517 K CB 0.279 32.908 32.500 0.216 0.000 1.474 517 K HN 0.459 nan 8.250 nan 0.000 0.474 518 W N 1.164 122.129 121.300 -0.558 0.000 2.093 518 W HA 0.042 4.711 4.660 0.015 0.000 0.352 518 W C 1.325 177.842 176.519 -0.003 0.000 1.294 518 W CA -0.457 56.685 57.345 -0.339 0.000 1.290 518 W CB 0.384 29.480 29.460 -0.607 0.000 1.149 518 W HN 0.343 nan 8.180 nan 0.000 0.606 519 S N 2.753 118.607 115.700 0.257 0.000 2.563 519 S HA -0.088 4.390 4.470 0.013 0.000 0.294 519 S C 1.211 175.957 174.600 0.243 0.000 1.279 519 S CA -0.095 58.205 58.200 0.166 0.000 1.069 519 S CB 0.029 63.275 63.200 0.077 0.000 0.828 519 S HN 0.505 nan 8.310 nan 0.000 0.497 520 I N 2.447 123.128 120.570 0.184 0.000 2.264 520 I HA -0.173 4.005 4.170 0.013 0.000 0.248 520 I C 2.045 178.191 176.117 0.049 0.000 1.111 520 I CA 1.371 62.781 61.300 0.184 0.000 1.382 520 I CB -0.428 37.632 38.000 0.099 0.000 1.060 520 I HN 0.587 nan 8.210 nan 0.000 0.418 521 K N 1.532 121.852 120.400 -0.133 0.000 2.057 521 K HA -0.164 4.164 4.320 0.013 0.000 0.206 521 K C 2.300 178.884 176.600 -0.027 0.000 1.050 521 K CA 1.808 57.911 56.287 -0.305 0.000 0.935 521 K CB -0.195 32.039 32.500 -0.442 0.000 0.715 521 K HN 0.403 nan 8.250 nan 0.000 0.439 522 K N -0.009 120.408 120.400 0.028 0.000 2.103 522 K HA -0.163 4.165 4.320 0.013 0.000 0.204 522 K C 1.870 178.500 176.600 0.050 0.000 1.052 522 K CA 0.810 57.108 56.287 0.019 0.000 0.945 522 K CB -0.075 32.412 32.500 -0.021 0.000 0.722 522 K HN 0.204 nan 8.250 nan 0.000 0.443 523 W N 2.075 123.355 121.300 -0.032 0.000 2.338 523 W HA -0.179 4.487 4.660 0.010 0.000 0.304 523 W C 1.590 178.086 176.519 -0.037 0.000 1.212 523 W CA 1.159 58.492 57.345 -0.020 0.000 1.264 523 W CB -0.598 28.929 29.460 0.112 0.000 1.142 523 W HN 0.095 nan 8.180 nan 0.000 0.512 524 L N 0.828 122.200 121.223 0.248 0.000 2.127 524 L HA -0.236 4.112 4.340 0.013 0.000 0.211 524 L C 2.095 179.028 176.870 0.106 0.000 1.089 524 L CA 1.950 56.872 54.840 0.136 0.000 0.757 524 L CB -0.907 41.221 42.059 0.115 0.000 0.899 524 L HN 0.000 nan 8.230 nan 0.000 0.434 525 S N -1.574 114.175 115.700 0.083 0.000 2.575 525 S HA 0.288 4.766 4.470 0.013 0.000 0.237 525 S C 0.439 175.030 174.600 -0.015 0.000 0.975 525 S CA -0.583 57.639 58.200 0.036 0.000 0.960 525 S CB -0.327 62.895 63.200 0.037 0.000 0.822 525 S HN 0.131 nan 8.310 nan 0.000 0.472 526 L N 1.919 123.124 121.223 -0.030 0.000 2.483 526 L HA 0.268 4.616 4.340 0.013 0.000 0.275 526 L C -2.182 174.657 176.870 -0.052 0.000 1.220 526 L CA -1.870 52.902 54.840 -0.112 0.000 0.833 526 L CB -0.211 41.758 42.059 -0.150 0.000 1.102 526 L HN 0.035 nan 8.230 nan 0.000 0.490 527 P HA -0.047 nan 4.420 nan 0.000 0.260 527 P C 0.728 178.020 177.300 -0.012 0.000 1.172 527 P CA 1.105 64.182 63.100 -0.038 0.000 0.760 527 P CB 0.463 32.135 31.700 -0.046 0.000 0.773 528 G N 1.791 110.591 108.800 -0.001 0.000 2.212 528 G HA2 -0.294 3.673 3.960 0.013 0.000 0.266 528 G HA3 -0.294 3.673 3.960 0.013 0.000 0.266 528 G C 0.328 175.243 174.900 0.025 0.000 0.978 528 G CA 0.237 45.344 45.100 0.012 0.000 0.632 528 G HN 0.614 nan 8.290 nan 0.000 0.537 529 E N 0.992 121.211 120.200 0.032 0.000 2.338 529 E HA 0.570 4.928 4.350 0.013 0.000 0.272 529 E C 1.389 178.012 176.600 0.038 0.000 1.029 529 E CA 0.718 57.149 56.400 0.051 0.000 0.872 529 E CB 0.751 30.505 29.700 0.089 0.000 1.015 529 E HN 0.570 nan 8.360 nan 0.000 0.417 530 T N 0.474 115.047 114.554 0.032 0.000 3.130 530 T HA 0.323 4.681 4.350 0.013 0.000 0.288 530 T C 0.520 175.228 174.700 0.014 0.000 0.936 530 T CA -0.468 61.646 62.100 0.023 0.000 0.897 530 T CB 0.075 68.956 68.868 0.022 0.000 1.178 530 T HN 0.257 nan 8.240 nan 0.000 0.543 531 R N 2.466 122.970 120.500 0.006 0.000 2.707 531 R HA 0.442 4.790 4.340 0.013 0.000 0.270 531 R C -2.455 173.824 176.300 -0.035 0.000 1.083 531 R CA -1.768 54.325 56.100 -0.012 0.000 1.182 531 R CB 0.027 30.312 30.300 -0.024 0.000 1.084 531 R HN 0.248 nan 8.270 nan 0.000 0.528 532 P HA 0.077 nan 4.420 nan 0.000 0.274 532 P C -1.064 176.166 177.300 -0.117 0.000 1.237 532 P CA -0.094 62.964 63.100 -0.069 0.000 0.793 532 P CB 0.755 32.416 31.700 -0.065 0.000 0.977 533 L N 2.451 123.585 121.223 -0.149 0.000 2.381 533 L HA 0.577 4.925 4.340 0.013 0.000 0.274 533 L C -1.007 175.723 176.870 -0.232 0.000 0.988 533 L CA -0.699 54.013 54.840 -0.213 0.000 0.824 533 L CB 0.818 42.741 42.059 -0.225 0.000 1.263 533 L HN 0.236 nan 8.230 nan 0.000 0.410 534 I N 5.640 126.081 120.570 -0.215 0.000 2.500 534 I HA 0.273 4.450 4.170 0.013 0.000 0.286 534 I C -0.778 175.254 176.117 -0.142 0.000 1.063 534 I CA -0.560 60.602 61.300 -0.229 0.000 1.062 534 I CB 1.991 39.911 38.000 -0.134 0.000 1.223 534 I HN 0.473 nan 8.210 nan 0.000 0.435 535 L N 5.433 126.541 121.223 -0.192 0.000 2.453 535 L HA 0.054 4.401 4.340 0.013 0.000 0.272 535 L C 1.474 178.423 176.870 0.130 0.000 1.182 535 L CA -0.136 54.661 54.840 -0.073 0.000 0.858 535 L CB 0.732 42.726 42.059 -0.109 0.000 1.120 535 L HN 0.862 nan 8.230 nan 0.000 0.474 536 C N -0.069 119.289 119.300 0.095 0.000 2.448 536 C HA 0.150 4.618 4.460 0.013 0.000 0.280 536 C C 0.598 175.734 174.990 0.243 0.000 1.398 536 C CA -0.196 58.917 59.018 0.157 0.000 1.774 536 C CB -1.099 26.651 27.740 0.018 0.000 1.888 536 C HN 0.822 nan 8.230 nan 0.000 0.519 537 E N -0.836 119.441 120.200 0.130 0.000 2.335 537 E HA 0.616 4.974 4.350 0.013 0.000 0.280 537 E C -1.395 175.143 176.600 -0.103 0.000 0.918 537 E CA -0.424 56.040 56.400 0.106 0.000 0.765 537 E CB 2.010 31.606 29.700 -0.173 0.000 1.218 537 E HN 0.671 nan 8.360 nan 0.000 0.425 538 Y N -1.286 118.984 120.300 -0.051 0.000 2.689 538 Y HA 0.625 5.183 4.550 0.014 0.000 0.333 538 Y C -0.714 175.346 175.900 0.267 0.000 1.208 538 Y CA -0.883 57.188 58.100 -0.048 0.000 1.055 538 Y CB 0.924 39.216 38.460 -0.279 0.000 1.304 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 1.882 124.792 122.820 0.149 0.000 2.303 539 A HA -0.262 4.066 4.320 0.013 0.000 0.286 539 A C -0.404 177.336 177.584 0.261 0.000 1.429 539 A CA 1.029 53.149 52.037 0.138 0.000 0.738 539 A CB -2.477 16.480 19.000 -0.072 0.000 1.149 539 A HN 1.091 nan 8.150 nan 0.000 0.364 540 H N 0.711 119.971 119.070 0.317 0.000 3.191 540 H HA 0.267 4.831 4.556 0.013 0.000 0.261 540 H C 1.070 176.497 175.328 0.165 0.000 1.013 540 H CA 0.889 57.144 56.048 0.345 0.000 1.457 540 H CB 0.379 30.251 29.762 0.183 0.000 1.535 540 H HN 0.814 nan 8.280 nan 0.000 0.518 541 A N 6.826 129.620 122.820 -0.044 0.000 3.019 541 A HA 0.075 4.402 4.320 0.013 0.000 0.262 541 A C 0.848 178.337 177.584 -0.158 0.000 1.509 541 A CA -0.417 51.556 52.037 -0.107 0.000 1.159 541 A CB -0.641 18.264 19.000 -0.157 0.000 1.042 541 A HN 0.799 nan 8.150 nan 0.000 0.641 542 M N 1.583 121.094 119.600 -0.148 0.000 2.143 542 M HA 0.453 4.940 4.480 0.013 0.000 0.348 542 M C 0.948 177.113 176.300 -0.224 0.000 1.375 542 M CA 1.215 56.413 55.300 -0.169 0.000 1.124 542 M CB -0.138 32.410 32.600 -0.087 0.000 1.669 542 M HN 0.852 nan 8.290 nan 0.000 0.469 543 G N 4.391 113.027 108.800 -0.273 0.000 2.566 543 G HA2 -0.343 3.625 3.960 0.013 0.000 0.280 543 G HA3 -0.343 3.625 3.960 0.013 0.000 0.280 543 G C -0.229 174.193 174.900 -0.797 0.000 1.225 543 G CA 0.056 44.809 45.100 -0.580 0.000 0.966 543 G HN 0.856 nan 8.290 nan 0.000 0.560 544 N N 1.191 119.270 118.700 -1.035 0.000 2.466 544 N HA 0.480 5.228 4.740 0.013 0.000 0.263 544 N C 0.058 175.334 175.510 -0.389 0.000 1.178 544 N CA 1.111 53.721 53.050 -0.734 0.000 0.983 544 N CB 0.361 38.433 38.487 -0.691 0.000 1.331 544 N HN 0.831 nan 8.380 nan 0.000 0.500 545 S N 2.060 117.618 115.700 -0.237 0.000 2.998 545 S HA 0.621 5.099 4.470 0.013 0.000 0.321 545 S C -0.020 174.533 174.600 -0.078 0.000 1.171 545 S CA -0.359 57.757 58.200 -0.139 0.000 0.882 545 S CB 0.176 63.317 63.200 -0.098 0.000 1.301 545 S HN 0.357 nan 8.310 nan 0.000 0.629 546 L N 0.069 121.279 121.223 -0.022 0.000 4.793 546 L HA -0.059 4.289 4.340 0.013 0.000 0.404 546 L C 0.579 177.502 176.870 0.089 0.000 1.022 546 L CA 0.911 55.761 54.840 0.018 0.000 1.242 546 L CB -1.786 40.192 42.059 -0.135 0.000 2.049 546 L HN 0.758 nan 8.230 nan 0.000 0.637 547 G N -0.652 108.165 108.800 0.028 0.000 2.313 547 G HA2 0.453 4.421 3.960 0.013 0.000 0.250 547 G HA3 0.453 4.421 3.960 0.013 0.000 0.250 547 G C 1.259 176.203 174.900 0.075 0.000 1.281 547 G CA 0.245 45.337 45.100 -0.012 0.000 0.917 547 G HN 1.423 nan 8.290 nan 0.000 0.501 548 G N 1.901 110.741 108.800 0.067 0.000 2.175 548 G HA2 -0.315 3.652 3.960 0.013 0.000 0.244 548 G HA3 -0.315 3.652 3.960 0.013 0.000 0.244 548 G C 1.022 176.109 174.900 0.311 0.000 0.982 548 G CA 0.739 45.929 45.100 0.150 0.000 0.641 548 G HN 0.790 nan 8.290 nan 0.000 0.527 549 F N 1.947 122.018 119.950 0.203 0.000 2.091 549 F HA 0.059 4.594 4.527 0.014 0.000 0.299 549 F C 2.729 178.740 175.800 0.351 0.000 1.103 549 F CA 2.742 60.935 58.000 0.322 0.000 1.228 549 F CB -0.496 38.633 39.000 0.215 0.000 0.984 549 F HN 0.367 nan 8.300 nan 0.000 0.477 550 A N -0.373 122.626 122.820 0.298 0.000 2.024 550 A HA -0.269 4.058 4.320 0.013 0.000 0.220 550 A C 2.287 179.889 177.584 0.030 0.000 1.164 550 A CA 1.867 54.002 52.037 0.163 0.000 0.643 550 A CB -0.860 18.239 19.000 0.165 0.000 0.806 550 A HN 0.482 nan 8.150 nan 0.000 0.451 551 K N -1.696 118.703 120.400 -0.003 0.000 2.097 551 K HA -0.176 4.152 4.320 0.013 0.000 0.206 551 K C 1.713 178.081 176.600 -0.386 0.000 1.049 551 K CA 1.596 57.795 56.287 -0.147 0.000 0.933 551 K CB -0.305 32.111 32.500 -0.140 0.000 0.717 551 K HN 0.598 nan 8.250 nan 0.000 0.442 552 Y N -0.778 119.246 120.300 -0.460 0.000 2.145 552 Y HA -0.247 4.311 4.550 0.012 0.000 0.286 552 Y C 1.998 176.935 175.900 -1.605 0.000 1.145 552 Y CA 1.588 59.065 58.100 -1.038 0.000 1.148 552 Y CB -0.268 37.604 38.460 -0.980 0.000 0.981 552 Y HN 0.168 nan 8.280 nan 0.000 0.507 553 W N 0.012 120.888 121.300 -0.706 0.000 2.338 553 W HA -0.234 4.434 4.660 0.014 0.000 0.304 553 W C 2.618 178.963 176.519 -0.290 0.000 1.212 553 W CA 1.579 58.642 57.345 -0.470 0.000 1.264 553 W CB -0.662 28.617 29.460 -0.302 0.000 1.142 553 W HN 0.068 nan 8.180 nan 0.000 0.512 554 Q N 0.726 120.428 119.800 -0.164 0.000 2.084 554 Q HA -0.161 4.186 4.340 0.013 0.000 0.202 554 Q C 2.186 178.121 176.000 -0.107 0.000 0.978 554 Q CA 2.077 57.829 55.803 -0.086 0.000 0.844 554 Q CB -0.626 28.076 28.738 -0.060 0.000 0.898 554 Q HN 0.277 nan 8.270 nan 0.000 0.426 555 A N -0.136 122.533 122.820 -0.251 0.000 1.898 555 A HA -0.086 4.241 4.320 0.013 0.000 0.216 555 A C 2.071 179.642 177.584 -0.022 0.000 1.181 555 A CA 0.925 52.858 52.037 -0.173 0.000 0.620 555 A CB -1.025 17.747 19.000 -0.380 0.000 0.819 555 A HN 0.463 nan 8.150 nan 0.000 0.442 556 F N -0.255 119.521 119.950 -0.290 0.000 2.120 556 F HA -0.246 4.289 4.527 0.013 0.000 0.300 556 F C 2.795 178.492 175.800 -0.171 0.000 1.095 556 F CA 1.238 59.031 58.000 -0.345 0.000 1.249 556 F CB -0.164 38.395 39.000 -0.735 0.000 0.995 556 F HN 0.173 nan 8.300 nan 0.000 0.480 557 R N -0.038 120.513 120.500 0.085 0.000 2.115 557 R HA -0.155 4.193 4.340 0.013 0.000 0.226 557 R C 2.105 178.435 176.300 0.051 0.000 1.100 557 R CA 1.125 57.259 56.100 0.056 0.000 0.980 557 R CB -0.409 29.920 30.300 0.048 0.000 0.875 557 R HN 0.373 nan 8.270 nan 0.000 0.445 558 Q N -0.186 119.669 119.800 0.093 0.000 2.187 558 Q HA -0.071 4.277 4.340 0.013 0.000 0.199 558 Q C -0.441 175.568 176.000 0.016 0.000 0.957 558 Q CA 0.982 56.826 55.803 0.068 0.000 0.857 558 Q CB 0.333 29.150 28.738 0.132 0.000 0.929 558 Q HN 0.189 nan 8.270 nan 0.000 0.453 559 Y N 0.225 120.507 120.300 -0.031 0.000 2.385 559 Y HA 0.266 4.823 4.550 0.012 0.000 0.341 559 Y C -1.798 174.075 175.900 -0.045 0.000 0.965 559 Y CA -2.856 55.225 58.100 -0.031 0.000 1.180 559 Y CB 1.318 39.765 38.460 -0.022 0.000 1.139 559 Y HN 0.130 nan 8.280 nan 0.000 0.502 560 P HA -0.181 nan 4.420 nan 0.000 0.215 560 P C 1.153 178.451 177.300 -0.002 0.000 1.157 560 P CA 1.959 65.057 63.100 -0.005 0.000 0.874 560 P CB 0.303 31.986 31.700 -0.028 0.000 0.790 561 R N -1.197 119.320 120.500 0.029 0.000 2.316 561 R HA 0.072 4.420 4.340 0.013 0.000 0.202 561 R C 0.420 176.703 176.300 -0.030 0.000 1.029 561 R CA 0.184 56.284 56.100 0.001 0.000 1.018 561 R CB -0.537 29.774 30.300 0.019 0.000 0.888 561 R HN 0.254 nan 8.270 nan 0.000 0.471 562 L N 1.851 123.078 121.223 0.006 0.000 2.268 562 L HA 0.131 4.478 4.340 0.013 0.000 0.289 562 L C 0.664 177.389 176.870 -0.241 0.000 1.064 562 L CA 0.099 54.887 54.840 -0.086 0.000 0.824 562 L CB 1.213 43.289 42.059 0.029 0.000 1.202 562 L HN 0.061 nan 8.230 nan 0.000 0.433 563 Q N 2.897 122.480 119.800 -0.362 0.000 2.201 563 Q HA 0.302 4.649 4.340 0.013 0.000 0.217 563 Q C 0.874 176.465 176.000 -0.681 0.000 0.860 563 Q CA 0.152 55.705 55.803 -0.417 0.000 0.984 563 Q CB 0.979 29.566 28.738 -0.252 0.000 1.095 563 Q HN 0.970 nan 8.270 nan 0.000 0.477 564 G N -0.178 107.842 108.800 -1.300 0.000 2.445 564 G HA2 0.082 4.050 3.960 0.013 0.000 0.212 564 G HA3 0.082 4.050 3.960 0.013 0.000 0.212 564 G C -0.250 173.824 174.900 -1.377 0.000 1.217 564 G CA -0.743 43.203 45.100 -1.924 0.000 1.002 564 G HN 0.593 nan 8.290 nan 0.000 0.574 565 G N -2.259 106.027 108.800 -0.856 0.000 2.349 565 G HA2 0.637 4.605 3.960 0.013 0.000 0.294 565 G HA3 0.637 4.605 3.960 0.013 0.000 0.294 565 G C -1.825 173.023 174.900 -0.086 0.000 1.380 565 G CA -0.247 44.573 45.100 -0.466 0.000 0.811 565 G HN 1.160 nan 8.290 nan 0.000 0.519 566 F N 0.816 121.013 119.950 0.411 0.000 2.403 566 F HA 0.518 5.052 4.527 0.012 0.000 0.355 566 F C 0.816 176.908 175.800 0.487 0.000 1.119 566 F CA -0.745 57.520 58.000 0.442 0.000 1.007 566 F CB 1.896 41.047 39.000 0.251 0.000 1.194 566 F HN 0.257 nan 8.300 nan 0.000 0.443 567 V N 3.058 123.270 119.914 0.497 0.000 3.032 567 V HA -0.144 3.984 4.120 0.013 0.000 0.307 567 V C -0.208 176.040 176.094 0.258 0.000 1.097 567 V CA -0.207 62.173 62.300 0.133 0.000 1.191 567 V CB 0.796 32.710 31.823 0.152 0.000 0.964 567 V HN 0.774 nan 8.190 nan 0.000 0.494 568 W N 5.974 127.350 121.300 0.127 0.000 2.296 568 W HA 0.447 5.115 4.660 0.012 0.000 0.316 568 W C -0.864 175.665 176.519 0.016 0.000 1.022 568 W CA -0.650 56.803 57.345 0.180 0.000 1.324 568 W CB 1.334 31.064 29.460 0.450 0.000 1.227 568 W HN 0.926 nan 8.180 nan 0.000 0.409 569 D N 2.765 122.870 120.400 -0.493 0.000 2.895 569 D HA 0.095 4.743 4.640 0.013 0.000 0.320 569 D C 0.654 176.721 176.300 -0.388 0.000 1.249 569 D CA -0.528 53.053 54.000 -0.699 0.000 0.997 569 D CB 0.193 39.986 40.800 -1.678 0.000 1.430 569 D HN 0.414 nan 8.370 nan 0.000 0.558 570 W N 0.454 121.441 121.300 -0.522 0.000 2.380 570 W HA 0.125 4.793 4.660 0.013 0.000 0.317 570 W C -0.079 176.214 176.519 -0.378 0.000 1.196 570 W CA 1.242 58.334 57.345 -0.421 0.000 1.307 570 W CB 0.304 29.538 29.460 -0.376 0.000 1.157 570 W HN 0.150 nan 8.180 nan 0.000 0.483 571 V N 2.573 122.234 119.914 -0.420 0.000 2.709 571 V HA 0.241 4.369 4.120 0.013 0.000 0.308 571 V C -0.957 174.930 176.094 -0.346 0.000 1.062 571 V CA -0.805 61.197 62.300 -0.498 0.000 0.901 571 V CB 1.521 33.143 31.823 -0.335 0.000 1.003 571 V HN -0.090 nan 8.190 nan 0.000 0.425 572 D N 4.094 124.293 120.400 -0.334 0.000 2.533 572 D HA 0.077 4.725 4.640 0.013 0.000 0.236 572 D C 0.364 176.501 176.300 -0.271 0.000 1.137 572 D CA 0.720 54.586 54.000 -0.223 0.000 0.867 572 D CB 0.855 41.617 40.800 -0.062 0.000 1.170 572 D HN 0.616 nan 8.370 nan 0.000 0.474 573 Q N 1.241 120.806 119.800 -0.391 0.000 3.170 573 Q HA 0.111 4.459 4.340 0.013 0.000 0.346 573 Q C 0.006 175.924 176.000 -0.137 0.000 1.333 573 Q CA -0.309 55.012 55.803 -0.804 0.000 0.958 573 Q CB 0.041 28.451 28.738 -0.547 0.000 1.600 573 Q HN 0.388 nan 8.270 nan 0.000 0.482 574 S N -0.339 115.407 115.700 0.076 0.000 2.646 574 S HA 0.626 5.104 4.470 0.013 0.000 0.276 574 S C -0.100 174.692 174.600 0.320 0.000 1.222 574 S CA -0.757 57.618 58.200 0.291 0.000 1.014 574 S CB 1.384 64.743 63.200 0.265 0.000 0.991 574 S HN 0.331 nan 8.310 nan 0.000 0.533 575 L N 1.454 122.784 121.223 0.177 0.000 2.354 575 L HA 0.521 4.868 4.340 0.013 0.000 0.269 575 L C -0.637 176.152 176.870 -0.134 0.000 1.005 575 L CA -1.177 53.641 54.840 -0.036 0.000 0.819 575 L CB 1.640 43.558 42.059 -0.236 0.000 1.311 575 L HN 0.554 nan 8.230 nan 0.000 0.423 576 I N 2.571 122.994 120.570 -0.246 0.000 2.371 576 I HA 0.267 4.445 4.170 0.013 0.000 0.290 576 I C 0.186 175.876 176.117 -0.712 0.000 1.028 576 I CA -0.019 60.992 61.300 -0.483 0.000 1.345 576 I CB 1.122 38.849 38.000 -0.454 0.000 1.407 576 I HN 0.557 nan 8.210 nan 0.000 0.501 577 K N 5.376 125.064 120.400 -1.186 0.000 2.295 577 K HA 0.542 4.870 4.320 0.013 0.000 0.239 577 K C -1.430 174.374 176.600 -1.328 0.000 0.991 577 K CA -0.653 54.862 56.287 -1.286 0.000 0.845 577 K CB 2.071 33.542 32.500 -1.715 0.000 1.197 577 K HN 0.240 nan 8.250 nan 0.000 0.441 578 Y N 0.690 120.744 120.300 -0.410 0.000 2.429 578 Y HA 0.126 4.684 4.550 0.013 0.000 0.342 578 Y C 0.348 176.340 175.900 0.153 0.000 1.004 578 Y CA -0.880 57.155 58.100 -0.109 0.000 1.075 578 Y CB 1.302 39.721 38.460 -0.069 0.000 1.214 578 Y HN 0.706 nan 8.280 nan 0.000 0.455 579 D N -0.112 120.536 120.400 0.412 0.000 2.469 579 D HA 0.067 4.715 4.640 0.013 0.000 0.278 579 D C 0.846 177.253 176.300 0.179 0.000 1.231 579 D CA -0.201 53.984 54.000 0.310 0.000 1.075 579 D CB 0.513 41.440 40.800 0.212 0.000 1.121 579 D HN 0.394 nan 8.370 nan 0.000 0.571 580 E N -0.531 119.735 120.200 0.110 0.000 2.085 580 E HA -0.138 4.220 4.350 0.013 0.000 0.194 580 E C 1.238 177.871 176.600 0.055 0.000 0.994 580 E CA 1.095 57.534 56.400 0.064 0.000 0.801 580 E CB -0.340 29.381 29.700 0.035 0.000 0.743 580 E HN 0.513 nan 8.360 nan 0.000 0.453 581 N N -0.419 118.321 118.700 0.067 0.000 2.336 581 N HA 0.051 4.799 4.740 0.013 0.000 0.189 581 N C 0.858 176.410 175.510 0.071 0.000 1.113 581 N CA 0.764 53.846 53.050 0.054 0.000 0.858 581 N CB 0.987 39.505 38.487 0.052 0.000 0.970 581 N HN 0.157 nan 8.380 nan 0.000 0.471 582 G N 1.367 110.233 108.800 0.109 0.000 2.225 582 G HA2 -0.246 3.721 3.960 0.013 0.000 0.264 582 G HA3 -0.246 3.721 3.960 0.013 0.000 0.264 582 G C -0.494 174.552 174.900 0.242 0.000 1.060 582 G CA -0.347 44.840 45.100 0.145 0.000 0.833 582 G HN 0.274 nan 8.290 nan 0.000 0.498 583 N N 1.199 120.044 118.700 0.242 0.000 2.438 583 N HA 0.491 5.239 4.740 0.013 0.000 0.282 583 N C -2.145 173.525 175.510 0.267 0.000 1.037 583 N CA -1.529 51.660 53.050 0.233 0.000 0.942 583 N CB 1.917 40.501 38.487 0.161 0.000 1.136 583 N HN 0.152 nan 8.380 nan 0.000 0.481 584 P HA 0.184 nan 4.420 nan 0.000 0.272 584 P C -0.466 176.750 177.300 -0.141 0.000 1.223 584 P CA -0.107 62.800 63.100 -0.321 0.000 0.784 584 P CB 0.627 32.151 31.700 -0.293 0.000 0.923 585 W N -1.122 119.930 121.300 -0.413 0.000 3.025 585 W HA 0.449 5.116 4.660 0.013 0.000 0.343 585 W C -1.534 174.821 176.519 -0.273 0.000 1.246 585 W CA -1.017 56.116 57.345 -0.353 0.000 1.178 585 W CB 0.216 29.273 29.460 -0.671 0.000 1.463 585 W HN 0.113 nan 8.180 nan 0.000 0.578 586 S N 1.237 117.033 115.700 0.160 0.000 2.475 586 S HA 0.687 5.164 4.470 0.013 0.000 0.281 586 S C -0.007 174.801 174.600 0.346 0.000 1.198 586 S CA -0.353 57.932 58.200 0.142 0.000 1.063 586 S CB 1.225 64.556 63.200 0.218 0.000 0.972 586 S HN 0.659 nan 8.310 nan 0.000 0.486 587 A N 2.555 125.448 122.820 0.120 0.000 2.354 587 A HA 0.918 5.246 4.320 0.013 0.000 0.321 587 A C -0.897 177.000 177.584 0.520 0.000 1.125 587 A CA -0.776 51.412 52.037 0.251 0.000 0.799 587 A CB 0.854 19.756 19.000 -0.164 0.000 1.293 587 A HN 0.863 nan 8.150 nan 0.000 0.452 588 Y N -0.874 119.765 120.300 0.565 0.000 2.944 588 Y HA 0.774 5.332 4.550 0.013 0.000 0.312 588 Y C 0.616 176.880 175.900 0.606 0.000 1.417 588 Y CA -1.364 57.055 58.100 0.532 0.000 1.105 588 Y CB -0.041 38.557 38.460 0.231 0.000 1.364 588 Y HN 0.998 nan 8.280 nan 0.000 0.540 589 G N 0.006 109.212 108.800 0.677 0.000 2.224 589 G HA2 0.359 4.326 3.960 0.013 0.000 0.239 589 G HA3 0.359 4.326 3.960 0.013 0.000 0.239 589 G C 0.995 176.216 174.900 0.535 0.000 1.240 589 G CA 0.526 45.950 45.100 0.540 0.000 0.896 589 G HN 2.022 nan 8.290 nan 0.000 0.496 590 G N 2.152 111.230 108.800 0.463 0.000 2.253 590 G HA2 -0.293 3.675 3.960 0.013 0.000 0.251 590 G HA3 -0.293 3.675 3.960 0.013 0.000 0.251 590 G C 0.920 176.034 174.900 0.357 0.000 0.998 590 G CA 0.683 45.999 45.100 0.361 0.000 0.621 590 G HN 0.662 nan 8.290 nan 0.000 0.524 591 D N -0.213 120.434 120.400 0.413 0.000 2.392 591 D HA 0.126 4.773 4.640 0.013 0.000 0.228 591 D C 1.101 177.336 176.300 -0.108 0.000 1.003 591 D CA 0.575 54.663 54.000 0.147 0.000 0.917 591 D CB -0.193 40.643 40.800 0.060 0.000 0.890 591 D HN 0.482 nan 8.370 nan 0.000 0.532 592 F N -1.062 119.020 119.950 0.219 0.000 2.735 592 F HA 0.302 4.837 4.527 0.013 0.000 0.308 592 F C 1.766 177.654 175.800 0.147 0.000 1.112 592 F CA -0.213 57.877 58.000 0.149 0.000 1.235 592 F CB 0.919 40.005 39.000 0.143 0.000 1.027 592 F HN -0.040 nan 8.300 nan 0.000 0.528 593 G N 0.202 109.165 108.800 0.272 0.000 2.199 593 G HA2 -0.286 3.682 3.960 0.013 0.000 0.254 593 G HA3 -0.286 3.682 3.960 0.013 0.000 0.254 593 G C -0.096 174.942 174.900 0.229 0.000 0.982 593 G CA 0.133 45.358 45.100 0.207 0.000 0.632 593 G HN 0.390 nan 8.290 nan 0.000 0.529 594 D N 0.646 121.231 120.400 0.308 0.000 2.493 594 D HA 0.457 5.105 4.640 0.013 0.000 0.240 594 D C 0.192 176.607 176.300 0.191 0.000 1.142 594 D CA 1.236 55.398 54.000 0.269 0.000 0.872 594 D CB 1.356 42.367 40.800 0.352 0.000 1.173 594 D HN 0.558 nan 8.370 nan 0.000 0.467 595 T N 0.866 115.501 114.554 0.135 0.000 3.047 595 T HA 0.416 4.773 4.350 0.013 0.000 0.340 595 T C -2.781 171.949 174.700 0.051 0.000 1.421 595 T CA -1.176 60.976 62.100 0.086 0.000 1.090 595 T CB 0.943 69.862 68.868 0.086 0.000 1.292 595 T HN 0.241 nan 8.240 nan 0.000 0.480 596 P HA 0.396 nan 4.420 nan 0.000 0.271 596 P C -0.782 176.498 177.300 -0.033 0.000 1.233 596 P CA -0.361 62.730 63.100 -0.014 0.000 0.789 596 P CB 0.336 32.002 31.700 -0.056 0.000 0.951 597 N N -0.859 117.813 118.700 -0.047 0.000 2.708 597 N HA 0.158 4.906 4.740 0.013 0.000 0.257 597 N C -1.288 174.142 175.510 -0.132 0.000 1.373 597 N CA -0.641 52.351 53.050 -0.096 0.000 0.843 597 N CB 1.597 40.123 38.487 0.066 0.000 1.503 597 N HN 0.217 nan 8.380 nan 0.000 0.504 598 D N 0.327 120.567 120.400 -0.266 0.000 2.615 598 D HA 0.116 4.764 4.640 0.013 0.000 0.236 598 D C 0.627 177.089 176.300 0.271 0.000 1.233 598 D CA -0.160 53.773 54.000 -0.112 0.000 0.829 598 D CB 0.758 41.371 40.800 -0.311 0.000 1.024 598 D HN 0.610 nan 8.370 nan 0.000 0.490 599 R N 0.771 121.448 120.500 0.294 0.000 3.750 599 R HA -0.314 4.034 4.340 0.013 0.000 0.495 599 R C 1.216 177.585 176.300 0.114 0.000 0.241 599 R CA 1.365 57.658 56.100 0.322 0.000 1.551 599 R CB -1.586 28.817 30.300 0.172 0.000 0.956 599 R HN 0.143 nan 8.270 nan 0.000 0.584 600 Q N 1.446 120.983 119.800 -0.438 0.000 2.482 600 Q HA -0.018 4.330 4.340 0.013 0.000 0.209 600 Q C 1.612 177.340 176.000 -0.454 0.000 0.961 600 Q CA 1.409 56.743 55.803 -0.781 0.000 0.945 600 Q CB -0.020 28.050 28.738 -1.113 0.000 1.012 600 Q HN 0.596 nan 8.270 nan 0.000 0.515 601 F N 1.687 121.570 119.950 -0.112 0.000 2.494 601 F HA -0.146 4.388 4.527 0.013 0.000 0.298 601 F C 2.240 178.002 175.800 -0.063 0.000 1.106 601 F CA 1.162 59.169 58.000 0.012 0.000 1.452 601 F CB -0.161 38.901 39.000 0.103 0.000 1.085 601 F HN 0.409 nan 8.300 nan 0.000 0.569 602 C N -1.301 117.750 119.300 -0.415 0.000 2.576 602 C HA 0.224 4.692 4.460 0.013 0.000 0.267 602 C C 0.954 175.736 174.990 -0.346 0.000 1.364 602 C CA -0.498 58.070 59.018 -0.750 0.000 1.723 602 C CB -1.757 24.987 27.740 -1.660 0.000 1.778 602 C HN 0.195 nan 8.230 nan 0.000 0.572 603 M N 2.543 121.998 119.600 -0.242 0.000 2.060 603 M HA 0.289 4.777 4.480 0.013 0.000 0.342 603 M C -0.490 175.712 176.300 -0.163 0.000 1.031 603 M CA 0.309 55.506 55.300 -0.173 0.000 0.981 603 M CB 0.136 32.667 32.600 -0.114 0.000 1.376 603 M HN 0.342 nan 8.290 nan 0.000 0.397 604 N N 0.786 119.384 118.700 -0.170 0.000 2.307 604 N HA 0.207 4.954 4.740 0.013 0.000 0.248 604 N C 0.317 175.640 175.510 -0.312 0.000 1.322 604 N CA -0.549 52.370 53.050 -0.219 0.000 0.861 604 N CB 1.241 39.668 38.487 -0.099 0.000 1.303 604 N HN 0.648 nan 8.380 nan 0.000 0.498 605 G N -0.086 108.493 108.800 -0.368 0.000 2.547 605 G HA2 0.365 4.333 3.960 0.013 0.000 0.291 605 G HA3 0.365 4.333 3.960 0.013 0.000 0.291 605 G C 0.656 175.121 174.900 -0.725 0.000 1.211 605 G CA -0.536 44.234 45.100 -0.549 0.000 0.950 605 G HN 0.093 nan 8.290 nan 0.000 0.504 606 L N -0.472 120.308 121.223 -0.739 0.000 2.341 606 L HA 0.146 4.494 4.340 0.013 0.000 0.214 606 L C 0.835 177.094 176.870 -1.018 0.000 1.115 606 L CA 0.325 54.745 54.840 -0.699 0.000 0.820 606 L CB -0.105 41.678 42.059 -0.461 0.000 0.944 606 L HN 0.379 nan 8.230 nan 0.000 0.452 607 V N -4.932 114.266 119.914 -1.194 0.000 3.001 607 V HA 0.467 4.595 4.120 0.013 0.000 0.314 607 V C -0.225 175.377 176.094 -0.821 0.000 1.099 607 V CA -1.255 60.473 62.300 -0.954 0.000 0.989 607 V CB 1.612 32.965 31.823 -0.783 0.000 1.040 607 V HN -0.140 nan 8.190 nan 0.000 0.434 608 F N 1.436 121.218 119.950 -0.278 0.000 2.485 608 F HA 0.526 5.061 4.527 0.013 0.000 0.327 608 F C 1.958 177.677 175.800 -0.133 0.000 1.203 608 F CA 0.641 58.614 58.000 -0.045 0.000 1.295 608 F CB 0.922 39.945 39.000 0.038 0.000 1.191 608 F HN 0.780 nan 8.300 nan 0.000 0.588 609 A N 0.731 123.647 122.820 0.161 0.000 2.032 609 A HA -0.230 4.098 4.320 0.013 0.000 0.221 609 A C 1.564 179.133 177.584 -0.025 0.000 1.165 609 A CA 1.923 54.001 52.037 0.068 0.000 0.645 609 A CB -0.956 18.129 19.000 0.142 0.000 0.807 609 A HN 0.787 nan 8.150 nan 0.000 0.453 610 D N -3.150 117.253 120.400 0.005 0.000 2.328 610 D HA 0.172 4.819 4.640 0.013 0.000 0.221 610 D C 0.630 176.917 176.300 -0.021 0.000 1.072 610 D CA -0.054 53.914 54.000 -0.052 0.000 0.850 610 D CB -0.048 40.725 40.800 -0.045 0.000 0.922 610 D HN 0.196 nan 8.370 nan 0.000 0.516 611 R N -1.814 118.676 120.500 -0.017 0.000 3.804 611 R HA -0.115 4.233 4.340 0.013 0.000 0.459 611 R C -0.380 175.924 176.300 0.006 0.000 1.009 611 R CA 1.027 57.105 56.100 -0.036 0.000 1.210 611 R CB -3.218 27.092 30.300 0.016 0.000 1.860 611 R HN 0.244 nan 8.270 nan 0.000 0.526 612 T N 2.498 117.102 114.554 0.084 0.000 2.884 612 T HA 0.382 4.740 4.350 0.013 0.000 0.298 612 T C -2.337 172.485 174.700 0.204 0.000 0.998 612 T CA -0.945 61.233 62.100 0.130 0.000 1.124 612 T CB 1.137 70.091 68.868 0.143 0.000 0.931 612 T HN -0.108 nan 8.240 nan 0.000 0.531 613 P HA 0.189 nan 4.420 nan 0.000 0.275 613 P C -0.107 177.266 177.300 0.122 0.000 1.228 613 P CA -0.235 62.874 63.100 0.014 0.000 0.786 613 P CB 0.423 32.133 31.700 0.017 0.000 0.927 614 H N 2.646 121.562 119.070 -0.258 0.000 2.544 614 H HA 0.116 4.680 4.556 0.013 0.000 0.365 614 H C -1.284 173.955 175.328 -0.148 0.000 1.268 614 H CA -1.886 53.983 56.048 -0.299 0.000 1.400 614 H CB 0.229 29.765 29.762 -0.376 0.000 1.538 614 H HN 0.320 nan 8.280 nan 0.000 0.597 615 P HA -0.137 nan 4.420 nan 0.000 0.218 615 P C 1.072 178.377 177.300 0.008 0.000 1.149 615 P CA 1.396 64.494 63.100 -0.003 0.000 0.817 615 P CB 0.036 31.729 31.700 -0.011 0.000 0.785 616 A N -0.608 122.218 122.820 0.010 0.000 2.125 616 A HA -0.162 4.166 4.320 0.013 0.000 0.219 616 A C 2.024 179.556 177.584 -0.086 0.000 1.156 616 A CA 1.013 53.017 52.037 -0.055 0.000 0.671 616 A CB -1.542 17.404 19.000 -0.089 0.000 0.794 616 A HN 0.157 nan 8.150 nan 0.000 0.459 617 L N -0.498 120.694 121.223 -0.052 0.000 2.079 617 L HA -0.133 4.215 4.340 0.013 0.000 0.210 617 L C 2.501 179.403 176.870 0.052 0.000 1.081 617 L CA 2.746 57.582 54.840 -0.007 0.000 0.752 617 L CB -0.965 41.089 42.059 -0.008 0.000 0.896 617 L HN 0.378 nan 8.230 nan 0.000 0.433 618 T N -1.795 112.803 114.554 0.073 0.000 2.904 618 T HA -0.180 4.178 4.350 0.013 0.000 0.267 618 T C 1.806 176.610 174.700 0.173 0.000 1.059 618 T CA 1.356 63.558 62.100 0.170 0.000 1.137 618 T CB -0.134 68.826 68.868 0.152 0.000 0.879 618 T HN 0.484 nan 8.240 nan 0.000 0.467 619 E N 0.797 121.035 120.200 0.064 0.000 2.077 619 E HA 0.048 4.406 4.350 0.013 0.000 0.193 619 E C 2.170 178.745 176.600 -0.041 0.000 0.989 619 E CA 1.383 57.814 56.400 0.053 0.000 0.800 619 E CB -0.605 29.095 29.700 -0.001 0.000 0.746 619 E HN 0.553 nan 8.360 nan 0.000 0.452 620 A N 0.885 123.567 122.820 -0.230 0.000 1.873 620 A HA -0.201 4.127 4.320 0.013 0.000 0.215 620 A C 2.157 179.599 177.584 -0.237 0.000 1.186 620 A CA 1.816 53.655 52.037 -0.330 0.000 0.616 620 A CB -0.595 18.198 19.000 -0.345 0.000 0.823 620 A HN 0.248 nan 8.150 nan 0.000 0.442 621 K N -1.206 119.134 120.400 -0.100 0.000 2.044 621 K HA -0.296 4.031 4.320 0.013 0.000 0.210 621 K C 2.081 178.558 176.600 -0.206 0.000 1.049 621 K CA 2.054 58.297 56.287 -0.074 0.000 0.927 621 K CB -0.355 32.263 32.500 0.196 0.000 0.713 621 K HN 0.638 nan 8.250 nan 0.000 0.443 622 H N 0.479 119.341 119.070 -0.346 0.000 2.321 622 H HA -0.055 4.509 4.556 0.013 0.000 0.300 622 H C 2.004 177.046 175.328 -0.476 0.000 1.087 622 H CA 1.893 57.540 56.048 -0.667 0.000 1.319 622 H CB 0.008 29.412 29.762 -0.597 0.000 1.379 622 H HN 0.236 nan 8.280 nan 0.000 0.501 623 Q N 0.242 119.784 119.800 -0.430 0.000 2.226 623 Q HA -0.109 4.239 4.340 0.013 0.000 0.204 623 Q C 1.671 177.150 176.000 -0.869 0.000 0.975 623 Q CA 1.281 56.769 55.803 -0.525 0.000 0.866 623 Q CB -0.026 28.586 28.738 -0.211 0.000 0.915 623 Q HN 0.714 nan 8.270 nan 0.000 0.440 624 Q N 0.182 119.418 119.800 -0.940 0.000 2.365 624 Q HA 0.066 4.414 4.340 0.013 0.000 0.203 624 Q C -0.097 175.337 176.000 -0.944 0.000 0.929 624 Q CA -0.213 54.890 55.803 -1.166 0.000 0.948 624 Q CB 0.311 28.401 28.738 -1.080 0.000 1.043 624 Q HN 0.395 nan 8.270 nan 0.000 0.505 625 Q N -0.403 118.992 119.800 -0.675 0.000 2.414 625 Q HA -0.056 4.292 4.340 0.013 0.000 0.288 625 Q C -0.117 175.490 176.000 -0.656 0.000 1.086 625 Q CA 0.464 55.996 55.803 -0.452 0.000 0.943 625 Q CB 0.415 28.988 28.738 -0.275 0.000 1.282 625 Q HN 0.300 nan 8.270 nan 0.000 0.438 626 F N 0.092 119.778 119.950 -0.439 0.000 2.695 626 F HA 0.238 4.773 4.527 0.012 0.000 0.303 626 F C -0.117 175.095 175.800 -0.980 0.000 1.091 626 F CA -0.048 57.455 58.000 -0.828 0.000 1.300 626 F CB 0.585 38.742 39.000 -1.406 0.000 1.071 626 F HN 0.315 nan 8.300 nan 0.000 0.578 627 F N 0.589 120.440 119.950 -0.165 0.000 2.507 627 F HA 0.470 5.006 4.527 0.014 0.000 0.325 627 F C -0.088 175.360 175.800 -0.586 0.000 1.116 627 F CA -1.054 56.746 58.000 -0.332 0.000 0.930 627 F CB 1.313 40.120 39.000 -0.322 0.000 1.146 627 F HN -0.308 nan 8.300 nan 0.000 0.447 628 Q N 3.335 122.888 119.800 -0.413 0.000 2.306 628 Q HA 0.591 4.939 4.340 0.013 0.000 0.265 628 Q C -1.339 174.417 176.000 -0.407 0.000 1.022 628 Q CA -0.621 54.984 55.803 -0.329 0.000 0.853 628 Q CB 2.952 31.611 28.738 -0.132 0.000 1.327 628 Q HN 0.559 nan 8.270 nan 0.000 0.449 629 F N 0.014 120.083 119.950 0.198 0.000 2.613 629 F HA 0.610 5.145 4.527 0.014 0.000 0.314 629 F C 0.261 176.285 175.800 0.374 0.000 1.075 629 F CA -0.886 57.297 58.000 0.305 0.000 0.945 629 F CB 2.122 41.419 39.000 0.496 0.000 1.310 629 F HN 0.160 nan 8.300 nan 0.000 0.467 630 R N 1.239 122.057 120.500 0.531 0.000 2.740 630 R HA 0.740 5.088 4.340 0.013 0.000 0.273 630 R C -2.040 174.330 176.300 0.117 0.000 0.998 630 R CA -1.210 55.116 56.100 0.377 0.000 0.900 630 R CB 3.102 33.520 30.300 0.197 0.000 1.223 630 R HN 0.610 nan 8.270 nan 0.000 0.466 631 L N 0.399 121.553 121.223 -0.115 0.000 2.365 631 L HA 0.613 4.960 4.340 0.013 0.000 0.273 631 L C -1.139 175.570 176.870 -0.267 0.000 1.000 631 L CA -0.018 54.533 54.840 -0.483 0.000 0.819 631 L CB 2.236 43.572 42.059 -1.206 0.000 1.284 631 L HN 0.579 nan 8.230 nan 0.000 0.418 632 S N 3.805 119.367 115.700 -0.229 0.000 2.737 632 S HA 0.708 5.186 4.470 0.013 0.000 0.269 632 S C 0.075 174.584 174.600 -0.153 0.000 1.150 632 S CA 0.304 58.415 58.200 -0.148 0.000 1.077 632 S CB 0.248 63.397 63.200 -0.085 0.000 1.075 632 S HN 1.737 nan 8.310 nan 0.000 0.476 633 G N 4.885 113.595 108.800 -0.150 0.000 2.536 633 G HA2 -0.302 3.666 3.960 0.013 0.000 0.280 633 G HA3 -0.302 3.666 3.960 0.013 0.000 0.280 633 G C 0.039 174.829 174.900 -0.183 0.000 1.152 633 G CA 0.765 45.782 45.100 -0.139 0.000 0.970 633 G HN 1.156 nan 8.290 nan 0.000 0.549 634 Q N 0.451 120.146 119.800 -0.174 0.000 2.188 634 Q HA 0.477 4.825 4.340 0.013 0.000 0.212 634 Q C 0.430 176.293 176.000 -0.228 0.000 0.846 634 Q CA 0.739 56.411 55.803 -0.218 0.000 0.989 634 Q CB -0.019 28.603 28.738 -0.193 0.000 1.114 634 Q HN 0.558 nan 8.270 nan 0.000 0.488 635 T N 0.917 115.350 114.554 -0.202 0.000 2.779 635 T HA 0.632 4.990 4.350 0.013 0.000 0.280 635 T C -0.291 174.293 174.700 -0.194 0.000 0.987 635 T CA -0.476 61.522 62.100 -0.169 0.000 0.966 635 T CB 1.002 69.805 68.868 -0.108 0.000 0.933 635 T HN 0.161 nan 8.240 nan 0.000 0.442 636 I N 2.675 123.145 120.570 -0.167 0.000 2.336 636 I HA 0.287 4.465 4.170 0.013 0.000 0.292 636 I C 0.555 176.683 176.117 0.018 0.000 0.991 636 I CA -0.513 60.717 61.300 -0.117 0.000 1.227 636 I CB 1.252 39.194 38.000 -0.095 0.000 1.366 636 I HN 0.591 nan 8.210 nan 0.000 0.466 637 E N 6.796 127.043 120.200 0.079 0.000 2.081 637 E HA 0.392 4.750 4.350 0.013 0.000 0.276 637 E C -1.494 175.218 176.600 0.187 0.000 0.950 637 E CA -0.550 55.913 56.400 0.105 0.000 0.776 637 E CB 1.316 31.061 29.700 0.075 0.000 1.094 637 E HN 0.350 nan 8.360 nan 0.000 0.402 638 V N 4.363 124.369 119.914 0.154 0.000 2.394 638 V HA 0.309 4.437 4.120 0.013 0.000 0.282 638 V C 0.047 176.166 176.094 0.043 0.000 1.031 638 V CA -0.439 61.922 62.300 0.102 0.000 0.881 638 V CB 1.771 33.667 31.823 0.121 0.000 0.982 638 V HN 0.711 nan 8.190 nan 0.000 0.451 639 T N 3.255 117.799 114.554 -0.017 0.000 2.829 639 T HA 0.355 4.713 4.350 0.013 0.000 0.280 639 T C -0.120 174.597 174.700 0.028 0.000 0.999 639 T CA -0.301 61.806 62.100 0.012 0.000 0.983 639 T CB 1.645 70.500 68.868 -0.020 0.000 0.968 639 T HN 0.661 nan 8.240 nan 0.000 0.446 640 S N 1.367 117.098 115.700 0.050 0.000 2.525 640 S HA 0.237 4.714 4.470 0.013 0.000 0.278 640 S C 0.627 175.137 174.600 -0.150 0.000 1.234 640 S CA -0.524 57.659 58.200 -0.028 0.000 1.058 640 S CB 0.551 63.802 63.200 0.085 0.000 0.983 640 S HN 0.726 nan 8.310 nan 0.000 0.495 641 E N 2.912 122.921 120.200 -0.318 0.000 2.501 641 E HA 0.121 4.478 4.350 0.013 0.000 0.200 641 E C -0.856 175.587 176.600 -0.262 0.000 1.016 641 E CA -0.132 56.109 56.400 -0.265 0.000 0.921 641 E CB 0.377 29.893 29.700 -0.306 0.000 1.034 641 E HN 0.682 nan 8.360 nan 0.000 0.468 642 Y N 0.310 120.509 120.300 -0.170 0.000 2.336 642 Y HA 0.048 4.605 4.550 0.013 0.000 0.331 642 Y C 1.401 177.149 175.900 -0.254 0.000 1.211 642 Y CA -0.015 57.978 58.100 -0.179 0.000 1.346 642 Y CB 0.875 39.212 38.460 -0.206 0.000 1.271 642 Y HN -0.015 nan 8.280 nan 0.000 0.538 643 L N 1.182 122.240 121.223 -0.275 0.000 2.408 643 L HA 0.058 4.406 4.340 0.013 0.000 0.215 643 L C 0.650 177.069 176.870 -0.752 0.000 1.081 643 L CA 0.604 55.047 54.840 -0.661 0.000 0.840 643 L CB 0.061 41.352 42.059 -1.280 0.000 1.002 643 L HN 0.664 nan 8.230 nan 0.000 0.468 644 F N -0.474 119.499 119.950 0.038 0.000 2.619 644 F HA 0.198 4.732 4.527 0.012 0.000 0.281 644 F C 1.347 177.140 175.800 -0.012 0.000 1.065 644 F CA -0.752 57.242 58.000 -0.009 0.000 1.304 644 F CB 0.279 39.250 39.000 -0.050 0.000 1.059 644 F HN -0.141 nan 8.300 nan 0.000 0.648 645 R N 0.373 120.924 120.500 0.086 0.000 2.573 645 R HA 0.444 4.792 4.340 0.013 0.000 0.272 645 R C -1.055 175.265 176.300 0.034 0.000 1.009 645 R CA -0.636 55.468 56.100 0.006 0.000 1.059 645 R CB 0.858 31.054 30.300 -0.173 0.000 1.112 645 R HN 0.095 nan 8.270 nan 0.000 0.517 646 H N 0.184 119.245 119.070 -0.014 0.000 2.488 646 H HA 0.145 4.709 4.556 0.013 0.000 0.347 646 H C -0.206 175.146 175.328 0.039 0.000 1.174 646 H CA -0.159 55.914 56.048 0.041 0.000 1.307 646 H CB 1.341 31.127 29.762 0.041 0.000 1.517 646 H HN 0.747 nan 8.280 nan 0.000 0.554 647 S N 1.980 117.636 115.700 -0.074 0.000 4.120 647 S HA -0.015 4.462 4.470 0.013 0.000 0.215 647 S C 0.107 174.812 174.600 0.176 0.000 1.347 647 S CA -0.162 58.115 58.200 0.129 0.000 0.889 647 S CB -0.772 62.535 63.200 0.179 0.000 1.585 647 S HN 0.737 nan 8.310 nan 0.000 0.447 648 D N 0.871 121.374 120.400 0.172 0.000 2.349 648 D HA -0.014 4.634 4.640 0.013 0.000 0.224 648 D C 0.498 176.856 176.300 0.096 0.000 1.029 648 D CA 0.192 54.287 54.000 0.158 0.000 0.879 648 D CB -0.181 40.681 40.800 0.105 0.000 0.906 648 D HN 0.518 nan 8.370 nan 0.000 0.528 649 N N -0.073 118.683 118.700 0.092 0.000 2.673 649 N HA 0.193 4.941 4.740 0.013 0.000 0.265 649 N C -1.679 173.891 175.510 0.101 0.000 1.709 649 N CA -0.277 52.817 53.050 0.074 0.000 0.792 649 N CB 0.286 38.799 38.487 0.044 0.000 1.286 649 N HN -0.041 nan 8.380 nan 0.000 0.506 650 E N -0.030 120.224 120.200 0.091 0.000 2.335 650 E HA 0.467 4.825 4.350 0.013 0.000 0.280 650 E C -1.679 174.951 176.600 0.050 0.000 0.918 650 E CA -0.629 55.818 56.400 0.078 0.000 0.765 650 E CB 2.548 32.270 29.700 0.036 0.000 1.218 650 E HN 0.291 nan 8.360 nan 0.000 0.425 651 L N 2.737 123.998 121.223 0.063 0.000 2.370 651 L HA 0.660 5.007 4.340 0.013 0.000 0.266 651 L C -1.719 175.208 176.870 0.094 0.000 1.002 651 L CA -0.925 53.958 54.840 0.072 0.000 0.818 651 L CB 1.366 43.473 42.059 0.081 0.000 1.325 651 L HN 0.649 nan 8.230 nan 0.000 0.418 652 L N 4.462 125.751 121.223 0.111 0.000 2.264 652 L HA 0.432 4.780 4.340 0.013 0.000 0.289 652 L C -0.827 176.154 176.870 0.185 0.000 1.044 652 L CA -0.167 54.767 54.840 0.156 0.000 0.807 652 L CB 0.453 42.614 42.059 0.169 0.000 1.192 652 L HN 0.677 nan 8.230 nan 0.000 0.425 653 H N 6.318 125.452 119.070 0.107 0.000 2.467 653 H HA 0.303 4.867 4.556 0.013 0.000 0.326 653 H C -1.568 173.832 175.328 0.119 0.000 1.094 653 H CA -0.612 55.459 56.048 0.038 0.000 1.253 653 H CB 0.935 30.686 29.762 -0.019 0.000 1.439 653 H HN 0.753 nan 8.280 nan 0.000 0.479 654 W N 5.432 126.286 121.300 -0.744 0.000 2.781 654 W HA 0.549 5.217 4.660 0.013 0.000 0.345 654 W C -1.804 174.494 176.519 -0.370 0.000 1.085 654 W CA -1.384 55.744 57.345 -0.362 0.000 1.198 654 W CB 1.505 30.855 29.460 -0.183 0.000 1.423 654 W HN 0.578 nan 8.180 nan 0.000 0.532 655 M N 2.977 122.768 119.600 0.319 0.000 2.414 655 M HA 0.584 5.072 4.480 0.013 0.000 0.287 655 M C -2.577 173.951 176.300 0.380 0.000 1.181 655 M CA -0.369 55.065 55.300 0.224 0.000 0.933 655 M CB 2.263 34.942 32.600 0.132 0.000 1.732 655 M HN 0.198 nan 8.290 nan 0.000 0.486 656 V N 3.365 123.493 119.914 0.355 0.000 2.555 656 V HA 1.022 5.150 4.120 0.013 0.000 0.302 656 V C -0.507 175.710 176.094 0.204 0.000 1.038 656 V CA -0.166 62.308 62.300 0.290 0.000 0.887 656 V CB 1.505 33.495 31.823 0.278 0.000 0.991 656 V HN 1.049 nan 8.190 nan 0.000 0.434 657 A N 4.179 127.124 122.820 0.207 0.000 2.475 657 A HA 0.862 5.189 4.320 0.013 0.000 0.301 657 A C -1.487 176.214 177.584 0.196 0.000 1.059 657 A CA -0.617 51.510 52.037 0.151 0.000 0.710 657 A CB 1.705 20.753 19.000 0.080 0.000 1.288 657 A HN 0.851 nan 8.150 nan 0.000 0.408 658 L N 1.634 122.941 121.223 0.139 0.000 2.259 658 L HA 0.497 4.845 4.340 0.013 0.000 0.288 658 L C -0.549 176.418 176.870 0.161 0.000 1.051 658 L CA 0.296 55.229 54.840 0.155 0.000 0.824 658 L CB 0.055 42.174 42.059 0.100 0.000 1.206 658 L HN 0.741 nan 8.230 nan 0.000 0.429 659 D N 4.861 125.425 120.400 0.273 0.000 2.704 659 D HA -0.208 4.440 4.640 0.013 0.000 0.232 659 D C 1.200 177.537 176.300 0.062 0.000 1.183 659 D CA 1.517 55.673 54.000 0.260 0.000 0.647 659 D CB -1.045 39.868 40.800 0.189 0.000 1.013 659 D HN 1.159 nan 8.370 nan 0.000 0.415 660 G N -0.679 108.120 108.800 -0.002 0.000 2.179 660 G HA2 -0.380 3.588 3.960 0.013 0.000 0.260 660 G HA3 -0.380 3.588 3.960 0.013 0.000 0.260 660 G C 0.248 175.074 174.900 -0.122 0.000 0.977 660 G CA 0.586 45.578 45.100 -0.179 0.000 0.641 660 G HN 0.500 nan 8.290 nan 0.000 0.533 661 K N 1.919 122.299 120.400 -0.034 0.000 2.263 661 K HA 0.488 4.816 4.320 0.013 0.000 0.272 661 K C -2.557 174.043 176.600 0.001 0.000 1.033 661 K CA -1.986 54.285 56.287 -0.027 0.000 0.884 661 K CB 1.985 34.483 32.500 -0.004 0.000 1.107 661 K HN 0.061 nan 8.250 nan 0.000 0.460 662 P HA 0.026 nan 4.420 nan 0.000 0.271 662 P C -0.044 177.273 177.300 0.030 0.000 1.216 662 P CA -0.043 63.063 63.100 0.010 0.000 0.771 662 P CB 0.875 32.566 31.700 -0.015 0.000 0.864 663 L N 1.138 122.399 121.223 0.063 0.000 2.515 663 L HA 0.463 4.811 4.340 0.013 0.000 0.202 663 L C 1.030 177.952 176.870 0.088 0.000 1.056 663 L CA 0.535 55.418 54.840 0.073 0.000 0.847 663 L CB -0.079 42.036 42.059 0.093 0.000 1.131 663 L HN 0.412 nan 8.230 nan 0.000 0.484 664 A N -0.399 122.500 122.820 0.131 0.000 2.599 664 A HA 0.695 5.023 4.320 0.013 0.000 0.290 664 A C -0.875 176.710 177.584 0.001 0.000 1.101 664 A CA 0.225 52.343 52.037 0.135 0.000 0.674 664 A CB 1.776 20.964 19.000 0.313 0.000 1.277 664 A HN 0.171 nan 8.150 nan 0.000 0.419 665 S N -1.320 114.101 115.700 -0.465 0.000 2.683 665 S HA 0.945 5.423 4.470 0.013 0.000 0.269 665 S C -0.197 173.365 174.600 -1.730 0.000 1.165 665 S CA 0.224 57.522 58.200 -1.504 0.000 0.840 665 S CB 0.702 63.518 63.200 -0.640 0.000 1.169 665 S HN 2.776 nan 8.310 nan 0.000 0.490 666 G N -0.198 107.389 108.800 -2.022 0.000 2.321 666 G HA2 0.572 4.540 3.960 0.013 0.000 0.296 666 G HA3 0.572 4.540 3.960 0.013 0.000 0.296 666 G C -2.202 172.191 174.900 -0.845 0.000 1.287 666 G CA -0.139 44.358 45.100 -1.006 0.000 0.846 666 G HN 1.295 nan 8.290 nan 0.000 0.508 667 E N -2.108 117.976 120.200 -0.193 0.000 2.433 667 E HA 0.744 5.102 4.350 0.013 0.000 0.278 667 E C -1.775 174.894 176.600 0.115 0.000 0.976 667 E CA -1.141 55.262 56.400 0.005 0.000 0.793 667 E CB 2.675 32.446 29.700 0.118 0.000 1.311 667 E HN 0.800 nan 8.360 nan 0.000 0.460 668 V N 1.079 121.072 119.914 0.133 0.000 2.789 668 V HA 0.363 4.491 4.120 0.013 0.000 0.300 668 V C -2.581 173.572 176.094 0.098 0.000 1.184 668 V CA -1.571 60.802 62.300 0.121 0.000 0.930 668 V CB 2.115 34.029 31.823 0.151 0.000 1.041 668 V HN 0.675 nan 8.190 nan 0.000 0.430 669 P HA 0.243 nan 4.420 nan 0.000 0.269 669 P C -0.695 176.642 177.300 0.062 0.000 1.209 669 P CA -0.032 63.110 63.100 0.070 0.000 0.776 669 P CB 0.863 32.603 31.700 0.068 0.000 0.876 670 L N 3.019 124.265 121.223 0.038 0.000 2.292 670 L HA 0.289 4.637 4.340 0.013 0.000 0.284 670 L C 0.676 177.569 176.870 0.039 0.000 1.065 670 L CA 0.321 55.162 54.840 0.002 0.000 0.806 670 L CB 0.706 42.701 42.059 -0.108 0.000 1.175 670 L HN 0.361 nan 8.230 nan 0.000 0.431 671 D N 3.531 123.957 120.400 0.044 0.000 2.517 671 D HA 0.255 4.903 4.640 0.013 0.000 0.263 671 D C -1.345 174.930 176.300 -0.041 0.000 1.233 671 D CA -0.118 53.957 54.000 0.126 0.000 0.849 671 D CB 1.171 42.102 40.800 0.219 0.000 1.261 671 D HN 0.071 nan 8.370 nan 0.000 0.516 672 V N 1.420 121.142 119.914 -0.319 0.000 2.448 672 V HA 0.752 4.880 4.120 0.013 0.000 0.295 672 V C 0.924 176.706 176.094 -0.520 0.000 1.025 672 V CA -1.114 61.048 62.300 -0.230 0.000 0.859 672 V CB 1.267 33.100 31.823 0.017 0.000 0.988 672 V HN 0.509 nan 8.190 nan 0.000 0.431 673 A N 7.038 129.738 122.820 -0.200 0.000 2.346 673 A HA 0.637 4.965 4.320 0.013 0.000 0.252 673 A C -2.243 175.357 177.584 0.026 0.000 1.089 673 A CA -1.230 50.829 52.037 0.036 0.000 0.797 673 A CB -0.273 18.814 19.000 0.145 0.000 1.047 673 A HN 0.675 nan 8.150 nan 0.000 0.494 674 P HA 0.040 nan 4.420 nan 0.000 0.264 674 P C -0.440 176.863 177.300 0.004 0.000 1.193 674 P CA 0.524 63.645 63.100 0.034 0.000 0.763 674 P CB 0.469 32.172 31.700 0.005 0.000 0.810 675 Q N -1.056 118.733 119.800 -0.019 0.000 2.348 675 Q HA -0.190 4.158 4.340 0.013 0.000 0.221 675 Q C 0.795 176.793 176.000 -0.004 0.000 0.735 675 Q CA 1.530 57.313 55.803 -0.032 0.000 1.351 675 Q CB -2.411 26.298 28.738 -0.049 0.000 1.640 675 Q HN 0.749 nan 8.270 nan 0.000 0.667 676 G N 0.324 109.134 108.800 0.017 0.000 2.532 676 G HA2 0.553 4.521 3.960 0.013 0.000 0.291 676 G HA3 0.553 4.521 3.960 0.013 0.000 0.291 676 G C -0.306 174.613 174.900 0.032 0.000 1.349 676 G CA -0.543 44.573 45.100 0.027 0.000 1.038 676 G HN -0.019 nan 8.290 nan 0.000 0.518 677 K N -0.788 119.634 120.400 0.036 0.000 2.395 677 K HA 0.481 4.809 4.320 0.013 0.000 0.247 677 K C -1.097 175.531 176.600 0.046 0.000 0.973 677 K CA -0.613 55.699 56.287 0.041 0.000 0.828 677 K CB 2.539 35.059 32.500 0.034 0.000 1.272 677 K HN 0.547 nan 8.250 nan 0.000 0.439 678 Q N 2.479 122.310 119.800 0.052 0.000 2.289 678 Q HA 0.375 4.723 4.340 0.013 0.000 0.270 678 Q C -1.739 174.293 176.000 0.053 0.000 1.038 678 Q CA -0.605 55.229 55.803 0.052 0.000 0.812 678 Q CB 1.473 30.242 28.738 0.052 0.000 1.300 678 Q HN 0.524 nan 8.270 nan 0.000 0.427 679 L N 4.967 126.213 121.223 0.038 0.000 2.295 679 L HA 0.585 4.933 4.340 0.013 0.000 0.285 679 L C -0.424 176.456 176.870 0.017 0.000 1.035 679 L CA -0.698 54.156 54.840 0.023 0.000 0.806 679 L CB 1.315 43.379 42.059 0.008 0.000 1.214 679 L HN 0.591 nan 8.230 nan 0.000 0.426 680 I N 2.763 123.335 120.570 0.002 0.000 2.436 680 I HA 0.311 4.489 4.170 0.013 0.000 0.289 680 I C -0.435 175.638 176.117 -0.073 0.000 1.010 680 I CA -0.457 60.835 61.300 -0.014 0.000 1.098 680 I CB 2.401 40.406 38.000 0.009 0.000 1.266 680 I HN 0.622 nan 8.210 nan 0.000 0.434 681 E N 6.268 126.423 120.200 -0.076 0.000 2.145 681 E HA 0.518 4.876 4.350 0.013 0.000 0.270 681 E C -1.274 175.227 176.600 -0.165 0.000 0.906 681 E CA -0.677 55.652 56.400 -0.117 0.000 0.761 681 E CB 1.466 31.119 29.700 -0.078 0.000 1.116 681 E HN 0.397 nan 8.360 nan 0.000 0.408 682 L N 5.738 126.797 121.223 -0.273 0.000 2.375 682 L HA 0.448 4.796 4.340 0.013 0.000 0.271 682 L C -1.850 174.867 176.870 -0.255 0.000 1.107 682 L CA -1.851 52.750 54.840 -0.398 0.000 0.806 682 L CB 0.056 41.658 42.059 -0.762 0.000 1.146 682 L HN 0.475 nan 8.230 nan 0.000 0.447 683 P HA -0.043 nan 4.420 nan 0.000 0.272 683 P C -0.548 176.689 177.300 -0.106 0.000 1.254 683 P CA -0.525 62.524 63.100 -0.085 0.000 0.795 683 P CB 0.364 32.080 31.700 0.026 0.000 1.022 684 E N 0.689 120.858 120.200 -0.052 0.000 2.491 684 E HA -0.014 4.343 4.350 0.013 0.000 0.250 684 E C -0.120 176.455 176.600 -0.041 0.000 1.061 684 E CA -0.076 56.295 56.400 -0.048 0.000 0.942 684 E CB -0.218 29.469 29.700 -0.023 0.000 0.957 684 E HN 0.239 nan 8.360 nan 0.000 0.480 685 L N 6.123 127.302 121.223 -0.075 0.000 2.461 685 L HA 0.118 4.465 4.340 0.013 0.000 0.259 685 L C -1.809 175.061 176.870 -0.001 0.000 1.248 685 L CA -1.167 53.643 54.840 -0.050 0.000 0.823 685 L CB -0.078 41.926 42.059 -0.091 0.000 1.111 685 L HN 0.578 nan 8.230 nan 0.000 0.516 686 P HA 0.212 nan 4.420 nan 0.000 0.281 686 P C -1.624 175.687 177.300 0.019 0.000 1.249 686 P CA -0.502 62.619 63.100 0.035 0.000 0.810 686 P CB 0.800 32.536 31.700 0.061 0.000 1.008 687 Q N 1.329 121.138 119.800 0.016 0.000 2.965 687 Q HA 0.268 4.616 4.340 0.013 0.000 0.288 687 Q C -2.058 173.950 176.000 0.014 0.000 0.974 687 Q CA -1.375 54.434 55.803 0.009 0.000 0.849 687 Q CB 0.243 28.980 28.738 -0.001 0.000 1.280 687 Q HN 0.398 nan 8.270 nan 0.000 0.441 688 P HA -0.064 nan 4.420 nan 0.000 0.264 688 P C -0.140 177.173 177.300 0.021 0.000 1.193 688 P CA 0.253 63.368 63.100 0.025 0.000 0.763 688 P CB 1.113 32.833 31.700 0.033 0.000 0.810 689 E N 1.138 121.350 120.200 0.020 0.000 2.106 689 E HA -0.075 4.283 4.350 0.013 0.000 0.192 689 E C 0.944 177.558 176.600 0.022 0.000 0.984 689 E CA 0.232 56.643 56.400 0.018 0.000 0.806 689 E CB -0.359 29.351 29.700 0.016 0.000 0.750 689 E HN 0.495 nan 8.360 nan 0.000 0.458 690 S N 0.774 116.490 115.700 0.026 0.000 2.561 690 S HA 0.159 4.637 4.470 0.013 0.000 0.294 690 S C 0.196 174.818 174.600 0.036 0.000 1.294 690 S CA -0.110 58.109 58.200 0.032 0.000 1.055 690 S CB 0.410 63.631 63.200 0.035 0.000 0.819 690 S HN 0.350 nan 8.310 nan 0.000 0.503 691 A N 3.645 126.489 122.820 0.039 0.000 2.366 691 A HA 0.725 5.053 4.320 0.013 0.000 0.249 691 A C 0.958 178.577 177.584 0.057 0.000 1.084 691 A CA 0.283 52.345 52.037 0.043 0.000 0.794 691 A CB -0.370 18.656 19.000 0.044 0.000 1.034 691 A HN 2.067 nan 8.150 nan 0.000 0.491 692 G N -0.666 108.170 108.800 0.059 0.000 2.361 692 G HA2 0.430 4.398 3.960 0.013 0.000 0.331 692 G HA3 0.430 4.398 3.960 0.013 0.000 0.331 692 G C -1.122 173.820 174.900 0.069 0.000 1.324 692 G CA -0.214 44.938 45.100 0.086 0.000 0.984 692 G HN 1.138 nan 8.290 nan 0.000 0.586 693 Q N -0.241 119.623 119.800 0.107 0.000 2.290 693 Q HA 0.722 5.070 4.340 0.013 0.000 0.259 693 Q C -0.339 175.724 176.000 0.104 0.000 0.941 693 Q CA -0.537 55.287 55.803 0.035 0.000 0.912 693 Q CB 1.249 29.967 28.738 -0.034 0.000 1.244 693 Q HN 0.568 nan 8.270 nan 0.000 0.441 694 L N 4.628 125.842 121.223 -0.014 0.000 2.292 694 L HA 0.465 4.813 4.340 0.013 0.000 0.284 694 L C -0.904 175.958 176.870 -0.014 0.000 1.065 694 L CA -0.447 54.433 54.840 0.066 0.000 0.806 694 L CB 0.667 42.741 42.059 0.024 0.000 1.175 694 L HN 0.712 nan 8.230 nan 0.000 0.431 695 W N 4.456 125.813 121.300 0.094 0.000 2.736 695 W HA 0.506 5.174 4.660 0.013 0.000 0.335 695 W C -0.755 175.859 176.519 0.159 0.000 1.059 695 W CA -0.535 56.889 57.345 0.130 0.000 1.226 695 W CB 1.687 31.251 29.460 0.173 0.000 1.416 695 W HN 0.117 nan 8.180 nan 0.000 0.505 696 L N 3.085 124.583 121.223 0.458 0.000 2.313 696 L HA 0.772 5.120 4.340 0.013 0.000 0.283 696 L C -0.395 176.775 176.870 0.500 0.000 1.013 696 L CA 0.031 55.110 54.840 0.399 0.000 0.816 696 L CB 1.417 43.645 42.059 0.281 0.000 1.236 696 L HN 0.330 nan 8.230 nan 0.000 0.419 697 T N 4.915 119.710 114.554 0.401 0.000 2.841 697 T HA 0.686 5.044 4.350 0.013 0.000 0.283 697 T C -0.770 174.122 174.700 0.319 0.000 1.000 697 T CA -0.443 61.864 62.100 0.345 0.000 0.977 697 T CB 1.608 70.622 68.868 0.244 0.000 0.979 697 T HN 0.612 nan 8.240 nan 0.000 0.446 698 V N 1.477 121.553 119.914 0.271 0.000 2.769 698 V HA 0.846 4.974 4.120 0.013 0.000 0.312 698 V C -0.798 175.398 176.094 0.169 0.000 1.061 698 V CA -1.170 61.242 62.300 0.187 0.000 0.931 698 V CB 1.899 33.759 31.823 0.061 0.000 1.010 698 V HN 0.826 nan 8.190 nan 0.000 0.433 699 R N 2.220 122.846 120.500 0.211 0.000 2.673 699 R HA 0.780 5.128 4.340 0.013 0.000 0.281 699 R C -1.662 174.792 176.300 0.255 0.000 0.991 699 R CA -0.771 55.488 56.100 0.264 0.000 0.896 699 R CB 2.707 33.143 30.300 0.227 0.000 1.201 699 R HN 0.674 nan 8.270 nan 0.000 0.457 700 V N 3.505 123.600 119.914 0.302 0.000 2.370 700 V HA 0.374 4.502 4.120 0.013 0.000 0.279 700 V C -0.292 175.937 176.094 0.224 0.000 1.029 700 V CA -0.619 61.827 62.300 0.243 0.000 0.870 700 V CB 1.641 33.615 31.823 0.252 0.000 0.984 700 V HN 0.439 nan 8.190 nan 0.000 0.451 701 V N 5.050 125.063 119.914 0.165 0.000 2.555 701 V HA 0.416 4.543 4.120 0.013 0.000 0.302 701 V C -0.256 175.917 176.094 0.132 0.000 1.038 701 V CA -0.728 61.651 62.300 0.133 0.000 0.887 701 V CB 2.029 33.906 31.823 0.090 0.000 0.991 701 V HN 0.889 nan 8.190 nan 0.000 0.434 702 Q N 5.633 125.521 119.800 0.147 0.000 2.430 702 Q HA 0.268 4.616 4.340 0.013 0.000 0.245 702 Q C -1.640 174.397 176.000 0.062 0.000 1.021 702 Q CA -1.785 54.090 55.803 0.120 0.000 0.867 702 Q CB 1.851 30.676 28.738 0.145 0.000 1.210 702 Q HN 0.500 nan 8.270 nan 0.000 0.487 703 P HA -0.201 nan 4.420 nan 0.000 0.215 703 P C -0.468 176.833 177.300 0.002 0.000 1.153 703 P CA 1.280 64.395 63.100 0.024 0.000 0.853 703 P CB 0.336 32.051 31.700 0.026 0.000 0.788 704 N N -0.731 117.964 118.700 -0.009 0.000 2.492 704 N HA 0.434 5.181 4.740 0.013 0.000 0.289 704 N C -0.197 175.265 175.510 -0.081 0.000 1.133 704 N CA -0.638 52.391 53.050 -0.036 0.000 0.961 704 N CB 0.692 39.158 38.487 -0.035 0.000 1.186 704 N HN 0.016 nan 8.380 nan 0.000 0.493 705 A N 0.323 123.088 122.820 -0.093 0.000 2.406 705 A HA 0.479 4.807 4.320 0.013 0.000 0.243 705 A C 0.538 177.997 177.584 -0.208 0.000 1.082 705 A CA -0.011 51.936 52.037 -0.151 0.000 0.786 705 A CB -0.072 18.864 19.000 -0.106 0.000 1.029 705 A HN 0.721 nan 8.150 nan 0.000 0.495 706 T N -3.222 111.125 114.554 -0.346 0.000 2.742 706 T HA 0.626 4.984 4.350 0.013 0.000 0.282 706 T C 1.052 175.574 174.700 -0.296 0.000 1.025 706 T CA 0.072 61.940 62.100 -0.386 0.000 1.020 706 T CB 0.990 69.396 68.868 -0.769 0.000 1.317 706 T HN 1.398 nan 8.240 nan 0.000 0.538 707 A N -0.000 122.723 122.820 -0.161 0.000 2.019 707 A HA 0.058 4.386 4.320 0.013 0.000 0.219 707 A C 1.730 179.442 177.584 0.213 0.000 1.164 707 A CA 1.446 53.513 52.037 0.050 0.000 0.644 707 A CB -0.941 18.120 19.000 0.102 0.000 0.805 707 A HN 0.928 nan 8.150 nan 0.000 0.449 708 W N -0.884 120.487 121.300 0.118 0.000 2.870 708 W HA 0.425 5.093 4.660 0.014 0.000 0.358 708 W C -0.225 176.275 176.519 -0.031 0.000 1.043 708 W CA 0.466 57.855 57.345 0.074 0.000 1.692 708 W CB -0.956 28.534 29.460 0.049 0.000 1.100 708 W HN 0.401 nan 8.180 nan 0.000 0.557 709 S N 0.399 115.750 115.700 -0.582 0.000 2.579 709 S HA 0.495 4.973 4.470 0.013 0.000 0.272 709 S C -1.010 173.395 174.600 -0.325 0.000 1.141 709 S CA -0.797 57.091 58.200 -0.521 0.000 0.843 709 S CB 2.533 65.086 63.200 -1.079 0.000 1.122 709 S HN 0.040 nan 8.310 nan 0.000 0.468 710 E N 0.854 120.969 120.200 -0.143 0.000 2.280 710 E HA 0.675 5.033 4.350 0.013 0.000 0.261 710 E C 0.090 176.663 176.600 -0.046 0.000 1.088 710 E CA -0.860 55.497 56.400 -0.071 0.000 0.915 710 E CB 0.555 30.252 29.700 -0.004 0.000 1.141 710 E HN 0.910 nan 8.360 nan 0.000 0.433 711 A N 0.707 123.508 122.820 -0.033 0.000 2.498 711 A HA 0.414 4.742 4.320 0.013 0.000 0.239 711 A C 1.265 178.860 177.584 0.018 0.000 1.068 711 A CA 0.550 52.578 52.037 -0.014 0.000 0.766 711 A CB -0.846 18.145 19.000 -0.016 0.000 1.003 711 A HN 0.914 nan 8.150 nan 0.000 0.497 712 G N 0.553 109.373 108.800 0.033 0.000 2.199 712 G HA2 -0.259 3.708 3.960 0.013 0.000 0.254 712 G HA3 -0.259 3.708 3.960 0.013 0.000 0.254 712 G C 0.298 175.241 174.900 0.072 0.000 0.982 712 G CA 0.715 45.837 45.100 0.036 0.000 0.632 712 G HN 1.734 nan 8.290 nan 0.000 0.529 713 H N 0.750 119.831 119.070 0.019 0.000 3.094 713 H HA 0.385 4.948 4.556 0.013 0.000 0.320 713 H C 0.765 176.174 175.328 0.135 0.000 1.000 713 H CA 0.522 56.613 56.048 0.071 0.000 1.413 713 H CB 0.130 29.918 29.762 0.045 0.000 1.405 713 H HN 0.323 nan 8.280 nan 0.000 0.586 714 I N 4.626 124.961 120.570 -0.391 0.000 2.325 714 I HA 0.025 4.203 4.170 0.013 0.000 0.291 714 I C 0.960 176.972 176.117 -0.175 0.000 1.019 714 I CA 0.072 61.281 61.300 -0.151 0.000 1.302 714 I CB 1.424 39.378 38.000 -0.077 0.000 1.401 714 I HN 0.775 nan 8.210 nan 0.000 0.485 715 S N 4.255 120.076 115.700 0.202 0.000 2.517 715 S HA 0.550 5.028 4.470 0.013 0.000 0.214 715 S C 0.464 175.354 174.600 0.482 0.000 0.991 715 S CA -0.045 58.415 58.200 0.433 0.000 0.906 715 S CB 0.490 64.059 63.200 0.615 0.000 0.789 715 S HN 0.712 nan 8.310 nan 0.000 0.513 716 A N 0.483 123.623 122.820 0.534 0.000 2.597 716 A HA 0.659 4.987 4.320 0.013 0.000 0.292 716 A C -1.839 176.147 177.584 0.670 0.000 1.057 716 A CA -0.971 51.365 52.037 0.499 0.000 0.674 716 A CB 0.330 19.649 19.000 0.533 0.000 1.278 716 A HN 0.884 nan 8.150 nan 0.000 0.416 717 W N -0.313 121.195 121.300 0.347 0.000 3.074 717 W HA 0.814 5.482 4.660 0.014 0.000 0.332 717 W C -1.112 175.512 176.519 0.176 0.000 1.253 717 W CA -0.659 56.792 57.345 0.177 0.000 1.180 717 W CB 1.270 30.781 29.460 0.085 0.000 1.445 717 W HN 1.014 nan 8.180 nan 0.000 0.573 718 Q N 1.025 120.910 119.800 0.143 0.000 2.527 718 Q HA 0.447 4.795 4.340 0.013 0.000 0.280 718 Q C -1.634 174.235 176.000 -0.218 0.000 0.977 718 Q CA -0.439 55.280 55.803 -0.139 0.000 0.837 718 Q CB 2.464 30.953 28.738 -0.415 0.000 1.454 718 Q HN 0.635 nan 8.270 nan 0.000 0.387 719 Q N 1.234 120.838 119.800 -0.327 0.000 2.456 719 Q HA 0.670 5.018 4.340 0.013 0.000 0.283 719 Q C -1.266 174.645 176.000 -0.149 0.000 1.084 719 Q CA -0.721 55.088 55.803 0.008 0.000 0.801 719 Q CB 2.378 31.312 28.738 0.327 0.000 1.434 719 Q HN 0.625 nan 8.270 nan 0.000 0.419 720 W N 0.769 122.230 121.300 0.268 0.000 3.167 720 W HA 0.439 5.106 4.660 0.013 0.000 0.324 720 W C -0.513 175.926 176.519 -0.133 0.000 1.230 720 W CA -0.695 56.701 57.345 0.085 0.000 1.184 720 W CB 1.723 31.191 29.460 0.014 0.000 1.414 720 W HN 0.419 nan 8.180 nan 0.000 0.551 721 R N 1.762 122.100 120.500 -0.271 0.000 2.390 721 R HA 0.459 4.807 4.340 0.013 0.000 0.291 721 R C 0.393 176.529 176.300 -0.272 0.000 1.070 721 R CA -0.086 55.595 56.100 -0.699 0.000 1.014 721 R CB 1.068 30.931 30.300 -0.728 0.000 1.007 721 R HN 0.303 nan 8.270 nan 0.000 0.466 722 L N 1.305 122.379 121.223 -0.249 0.000 2.783 722 L HA 0.524 4.872 4.340 0.013 0.000 0.205 722 L C 0.548 177.326 176.870 -0.153 0.000 1.985 722 L CA -1.084 53.672 54.840 -0.141 0.000 2.546 722 L CB -0.066 41.943 42.059 -0.083 0.000 2.829 722 L HN 0.599 nan 8.230 nan 0.000 0.614 723 A N 0.460 123.217 122.820 -0.105 0.000 2.520 723 A HA 0.112 4.440 4.320 0.013 0.000 0.235 723 A C -0.224 177.305 177.584 -0.092 0.000 1.065 723 A CA 0.344 52.329 52.037 -0.086 0.000 0.764 723 A CB -0.047 18.921 19.000 -0.054 0.000 1.002 723 A HN 0.610 nan 8.150 nan 0.000 0.502 724 E N 1.097 121.250 120.200 -0.078 0.000 2.222 724 E HA 0.317 4.674 4.350 0.013 0.000 0.267 724 E C -1.311 175.271 176.600 -0.029 0.000 0.884 724 E CA -0.691 55.670 56.400 -0.064 0.000 0.764 724 E CB 0.840 30.493 29.700 -0.078 0.000 1.169 724 E HN 0.668 nan 8.360 nan 0.000 0.413 725 N N 5.058 123.753 118.700 -0.008 0.000 2.626 725 N HA 0.252 5.000 4.740 0.013 0.000 0.242 725 N C -0.691 174.828 175.510 0.015 0.000 1.005 725 N CA -0.307 52.746 53.050 0.004 0.000 0.905 725 N CB 0.986 39.480 38.487 0.013 0.000 1.128 725 N HN 0.503 nan 8.380 nan 0.000 0.512 726 L N 0.976 122.206 121.223 0.012 0.000 2.453 726 L HA 0.073 4.421 4.340 0.013 0.000 0.272 726 L C 1.303 178.189 176.870 0.028 0.000 1.182 726 L CA 0.147 55.000 54.840 0.021 0.000 0.858 726 L CB 0.487 42.557 42.059 0.018 0.000 1.120 726 L HN 0.348 nan 8.230 nan 0.000 0.474 727 S N 2.217 117.940 115.700 0.037 0.000 2.528 727 S HA 0.230 4.707 4.470 0.013 0.000 0.277 727 S C 0.639 175.260 174.600 0.034 0.000 1.297 727 S CA -0.758 57.465 58.200 0.038 0.000 1.052 727 S CB 1.004 64.232 63.200 0.047 0.000 0.917 727 S HN 0.469 nan 8.310 nan 0.000 0.492 728 V N 2.141 122.072 119.914 0.029 0.000 3.477 728 V HA 0.323 4.451 4.120 0.013 0.000 0.297 728 V C 0.811 176.920 176.094 0.025 0.000 1.433 728 V CA 0.248 62.563 62.300 0.025 0.000 1.052 728 V CB -0.774 31.061 31.823 0.020 0.000 0.895 728 V HN 0.896 nan 8.190 nan 0.000 0.438 729 T N 1.420 115.990 114.554 0.027 0.000 2.851 729 T HA 0.608 4.966 4.350 0.013 0.000 0.298 729 T C -0.277 174.440 174.700 0.028 0.000 0.977 729 T CA -0.244 61.871 62.100 0.026 0.000 1.126 729 T CB 0.827 69.711 68.868 0.026 0.000 0.916 729 T HN 0.353 nan 8.240 nan 0.000 0.529 730 L N 5.465 126.702 121.223 0.023 0.000 2.281 730 L HA 0.420 4.768 4.340 0.013 0.000 0.285 730 L C -1.458 175.426 176.870 0.022 0.000 1.074 730 L CA -1.892 52.961 54.840 0.022 0.000 0.817 730 L CB -0.216 41.852 42.059 0.015 0.000 1.168 730 L HN 0.583 nan 8.230 nan 0.000 0.434 731 P HA 0.144 nan 4.420 nan 0.000 0.268 731 P C -0.450 176.862 177.300 0.019 0.000 1.208 731 P CA -0.446 62.672 63.100 0.031 0.000 0.777 731 P CB 0.699 32.424 31.700 0.040 0.000 0.875 732 A N 2.186 125.017 122.820 0.019 0.000 2.425 732 A HA 0.472 4.800 4.320 0.013 0.000 0.249 732 A C 0.736 178.304 177.584 -0.028 0.000 1.084 732 A CA -0.082 51.952 52.037 -0.005 0.000 0.781 732 A CB -0.476 18.524 19.000 -0.000 0.000 1.019 732 A HN 0.757 nan 8.150 nan 0.000 0.490 733 A N 2.904 125.677 122.820 -0.079 0.000 2.592 733 A HA 0.373 4.701 4.320 0.013 0.000 0.250 733 A C 1.058 178.514 177.584 -0.214 0.000 1.017 733 A CA 0.716 52.677 52.037 -0.127 0.000 0.794 733 A CB -0.804 18.101 19.000 -0.158 0.000 0.917 733 A HN 1.964 nan 8.150 nan 0.000 0.515 734 S N 2.424 118.080 115.700 -0.073 0.000 2.580 734 S HA 0.311 4.789 4.470 0.013 0.000 0.274 734 S C 0.631 175.217 174.600 -0.024 0.000 1.329 734 S CA 0.010 58.241 58.200 0.051 0.000 1.036 734 S CB 0.399 63.663 63.200 0.107 0.000 0.919 734 S HN 0.700 nan 8.310 nan 0.000 0.515 735 H N 1.690 120.776 119.070 0.026 0.000 2.403 735 H HA 0.415 4.978 4.556 0.013 0.000 0.298 735 H C 1.139 176.482 175.328 0.025 0.000 1.059 735 H CA 0.970 57.031 56.048 0.022 0.000 1.363 735 H CB -0.612 29.162 29.762 0.020 0.000 1.410 735 H HN 0.838 nan 8.280 nan 0.000 0.528 736 A N 1.642 124.565 122.820 0.173 0.000 2.256 736 A HA 0.566 4.894 4.320 0.013 0.000 0.318 736 A C -0.307 177.327 177.584 0.084 0.000 1.103 736 A CA -0.542 51.561 52.037 0.110 0.000 0.860 736 A CB 0.722 19.782 19.000 0.101 0.000 1.182 736 A HN 0.275 nan 8.150 nan 0.000 0.501 737 I N 1.035 121.651 120.570 0.076 0.000 2.478 737 I HA 0.517 4.695 4.170 0.013 0.000 0.287 737 I C -2.871 173.298 176.117 0.087 0.000 1.042 737 I CA -2.652 58.688 61.300 0.066 0.000 1.067 737 I CB 1.417 39.447 38.000 0.050 0.000 1.233 737 I HN 0.280 nan 8.210 nan 0.000 0.431 738 P HA 0.176 nan 4.420 nan 0.000 0.268 738 P C -0.866 176.508 177.300 0.123 0.000 1.205 738 P CA 0.317 63.484 63.100 0.111 0.000 0.771 738 P CB 0.249 31.980 31.700 0.052 0.000 0.858 739 H N 2.955 122.067 119.070 0.069 0.000 2.488 739 H HA 0.345 4.909 4.556 0.013 0.000 0.322 739 H C -1.005 174.367 175.328 0.074 0.000 1.078 739 H CA -0.848 55.234 56.048 0.057 0.000 1.260 739 H CB 0.938 30.729 29.762 0.047 0.000 1.425 739 H HN 0.234 nan 8.280 nan 0.000 0.471 740 L N 5.226 126.119 121.223 -0.550 0.000 2.289 740 L HA 0.311 4.658 4.340 0.013 0.000 0.285 740 L C -0.573 176.023 176.870 -0.456 0.000 1.049 740 L CA -0.041 54.597 54.840 -0.336 0.000 0.804 740 L CB 1.601 43.548 42.059 -0.187 0.000 1.195 740 L HN 0.536 nan 8.230 nan 0.000 0.428 741 T N 3.236 117.714 114.554 -0.126 0.000 2.888 741 T HA 0.707 5.065 4.350 0.013 0.000 0.284 741 T C -0.712 174.055 174.700 0.110 0.000 1.017 741 T CA -0.407 61.703 62.100 0.016 0.000 1.022 741 T CB 1.422 70.340 68.868 0.082 0.000 1.013 741 T HN 0.715 nan 8.240 nan 0.000 0.465 742 T N 1.953 116.569 114.554 0.103 0.000 2.971 742 T HA 0.652 5.010 4.350 0.013 0.000 0.304 742 T C -0.471 174.245 174.700 0.028 0.000 1.038 742 T CA -0.830 61.339 62.100 0.114 0.000 1.007 742 T CB 1.560 70.541 68.868 0.189 0.000 1.055 742 T HN 0.689 nan 8.240 nan 0.000 0.451 743 S N 1.405 117.081 115.700 -0.041 0.000 2.745 743 S HA 0.610 5.088 4.470 0.013 0.000 0.306 743 S C 0.749 175.279 174.600 -0.116 0.000 1.137 743 S CA -0.603 57.566 58.200 -0.053 0.000 0.900 743 S CB 1.761 64.942 63.200 -0.032 0.000 1.176 743 S HN 0.409 nan 8.310 nan 0.000 0.520 744 E N 0.308 120.459 120.200 -0.082 0.000 2.204 744 E HA 0.053 4.410 4.350 0.013 0.000 0.195 744 E C 1.415 177.938 176.600 -0.129 0.000 0.990 744 E CA 1.625 57.969 56.400 -0.094 0.000 0.821 744 E CB -0.337 29.331 29.700 -0.052 0.000 0.750 744 E HN 0.715 nan 8.360 nan 0.000 0.477 745 M N -0.140 119.393 119.600 -0.111 0.000 2.414 745 M HA 0.124 4.612 4.480 0.013 0.000 0.251 745 M C -0.539 175.686 176.300 -0.126 0.000 1.116 745 M CA 0.254 55.494 55.300 -0.099 0.000 1.056 745 M CB 0.746 33.321 32.600 -0.041 0.000 1.388 745 M HN -0.171 nan 8.290 nan 0.000 0.487 746 D N -0.690 119.602 120.400 -0.179 0.000 2.609 746 D HA 0.337 4.984 4.640 0.013 0.000 0.239 746 D C -1.428 174.730 176.300 -0.236 0.000 1.229 746 D CA -0.421 53.491 54.000 -0.147 0.000 0.808 746 D CB 1.671 42.480 40.800 0.015 0.000 1.448 746 D HN -0.082 nan 8.370 nan 0.000 0.433 747 F N 0.724 120.757 119.950 0.139 0.000 2.426 747 F HA 0.391 4.926 4.527 0.013 0.000 0.348 747 F C 0.175 176.092 175.800 0.195 0.000 1.124 747 F CA -0.649 57.427 58.000 0.128 0.000 1.008 747 F CB 1.414 40.480 39.000 0.110 0.000 1.139 747 F HN 0.103 nan 8.300 nan 0.000 0.452 748 C N 4.328 123.816 119.300 0.314 0.000 2.435 748 C HA 0.780 5.247 4.460 0.013 0.000 0.333 748 C C -0.309 174.829 174.990 0.247 0.000 1.202 748 C CA -0.783 58.396 59.018 0.267 0.000 1.830 748 C CB 1.205 29.033 27.740 0.146 0.000 2.326 748 C HN 0.578 nan 8.230 nan 0.000 0.507 749 I N 1.875 122.638 120.570 0.321 0.000 2.582 749 I HA 0.461 4.639 4.170 0.013 0.000 0.292 749 I C -0.238 176.105 176.117 0.377 0.000 1.066 749 I CA -0.081 61.396 61.300 0.296 0.000 1.053 749 I CB 1.578 39.754 38.000 0.294 0.000 1.241 749 I HN 0.600 nan 8.210 nan 0.000 0.421 750 E N 5.147 125.521 120.200 0.291 0.000 2.234 750 E HA 0.683 5.041 4.350 0.013 0.000 0.266 750 E C -1.797 174.967 176.600 0.273 0.000 0.877 750 E CA -0.840 55.713 56.400 0.254 0.000 0.758 750 E CB 2.292 32.082 29.700 0.150 0.000 1.170 750 E HN 0.493 nan 8.360 nan 0.000 0.415 751 L N 5.002 126.392 121.223 0.279 0.000 2.568 751 L HA 0.481 4.829 4.340 0.013 0.000 0.262 751 L C 0.133 177.088 176.870 0.142 0.000 0.980 751 L CA 0.609 55.595 54.840 0.243 0.000 0.882 751 L CB 1.087 43.352 42.059 0.344 0.000 1.198 751 L HN 0.775 nan 8.230 nan 0.000 0.425 752 G N 4.454 113.303 108.800 0.081 0.000 2.622 752 G HA2 -0.439 3.529 3.960 0.013 0.000 0.307 752 G HA3 -0.439 3.529 3.960 0.013 0.000 0.307 752 G C 0.596 175.495 174.900 -0.002 0.000 1.226 752 G CA 0.593 45.713 45.100 0.032 0.000 0.997 752 G HN 1.273 nan 8.290 nan 0.000 0.551 753 N N 1.630 120.318 118.700 -0.020 0.000 2.421 753 N HA 0.104 4.852 4.740 0.013 0.000 0.201 753 N C 0.345 175.801 175.510 -0.090 0.000 1.198 753 N CA 0.951 53.970 53.050 -0.051 0.000 0.838 753 N CB 0.072 38.530 38.487 -0.048 0.000 1.011 753 N HN 0.729 nan 8.380 nan 0.000 0.463 754 K N -0.050 120.287 120.400 -0.106 0.000 2.267 754 K HA 0.541 4.869 4.320 0.013 0.000 0.246 754 K C -0.724 175.675 176.600 -0.334 0.000 0.954 754 K CA -0.662 55.447 56.287 -0.296 0.000 0.824 754 K CB 2.298 34.549 32.500 -0.415 0.000 1.167 754 K HN -0.042 nan 8.250 nan 0.000 0.431 755 R N 0.965 121.153 120.500 -0.519 0.000 2.668 755 R HA 0.418 4.766 4.340 0.013 0.000 0.272 755 R C -1.669 174.470 176.300 -0.269 0.000 1.019 755 R CA -0.632 55.352 56.100 -0.192 0.000 0.894 755 R CB 1.389 31.641 30.300 -0.080 0.000 1.228 755 R HN 0.578 nan 8.270 nan 0.000 0.460 756 W N 2.630 124.028 121.300 0.164 0.000 2.785 756 W HA 0.376 5.044 4.660 0.013 0.000 0.333 756 W C -0.744 175.832 176.519 0.094 0.000 1.062 756 W CA -0.627 56.745 57.345 0.045 0.000 1.233 756 W CB 2.226 31.663 29.460 -0.038 0.000 1.413 756 W HN 0.437 nan 8.180 nan 0.000 0.489 757 Q N 2.603 122.491 119.800 0.147 0.000 2.309 757 Q HA 0.428 4.776 4.340 0.013 0.000 0.270 757 Q C -2.013 173.872 176.000 -0.192 0.000 1.023 757 Q CA -0.442 55.439 55.803 0.130 0.000 0.758 757 Q CB 1.333 30.257 28.738 0.310 0.000 1.247 757 Q HN 0.377 nan 8.270 nan 0.000 0.455 758 F N 3.060 123.099 119.950 0.149 0.000 2.402 758 F HA 0.318 4.853 4.527 0.013 0.000 0.355 758 F C 0.541 176.386 175.800 0.075 0.000 1.123 758 F CA -0.866 57.195 58.000 0.102 0.000 1.021 758 F CB 1.245 40.325 39.000 0.133 0.000 1.160 758 F HN 0.522 nan 8.300 nan 0.000 0.451 759 N N 3.756 122.569 118.700 0.189 0.000 2.452 759 N HA 0.055 4.802 4.740 0.013 0.000 0.266 759 N C 0.869 176.419 175.510 0.066 0.000 1.175 759 N CA 0.073 53.183 53.050 0.099 0.000 0.945 759 N CB 0.728 39.280 38.487 0.109 0.000 1.063 759 N HN 0.692 nan 8.380 nan 0.000 0.472 760 R N 1.619 122.086 120.500 -0.054 0.000 2.276 760 R HA -0.061 4.287 4.340 0.013 0.000 0.203 760 R C 1.704 177.967 176.300 -0.063 0.000 1.017 760 R CA 0.543 56.575 56.100 -0.114 0.000 1.010 760 R CB 0.150 30.264 30.300 -0.310 0.000 0.900 760 R HN 0.662 nan 8.270 nan 0.000 0.469 761 Q N 0.791 120.574 119.800 -0.028 0.000 2.165 761 Q HA -0.049 4.299 4.340 0.013 0.000 0.197 761 Q C 1.701 177.701 176.000 -0.001 0.000 0.952 761 Q CA 1.965 57.760 55.803 -0.015 0.000 0.848 761 Q CB 0.156 28.899 28.738 0.009 0.000 0.931 761 Q HN 0.283 nan 8.270 nan 0.000 0.470 762 S N -1.116 114.607 115.700 0.039 0.000 2.458 762 S HA 0.239 4.716 4.470 0.013 0.000 0.223 762 S C 1.453 175.978 174.600 -0.125 0.000 1.019 762 S CA 0.812 59.046 58.200 0.055 0.000 0.937 762 S CB 0.094 63.440 63.200 0.245 0.000 0.788 762 S HN 0.691 nan 8.310 nan 0.000 0.511 763 G N 0.470 109.228 108.800 -0.069 0.000 2.143 763 G HA2 -0.221 3.747 3.960 0.013 0.000 0.249 763 G HA3 -0.221 3.747 3.960 0.013 0.000 0.249 763 G C -0.104 174.780 174.900 -0.028 0.000 0.981 763 G CA 0.239 45.295 45.100 -0.074 0.000 0.665 763 G HN 0.531 nan 8.290 nan 0.000 0.528 764 F N -1.273 118.878 119.950 0.335 0.000 2.575 764 F HA 0.683 5.218 4.527 0.013 0.000 0.330 764 F C 0.514 176.408 175.800 0.156 0.000 1.056 764 F CA -1.497 56.671 58.000 0.280 0.000 0.964 764 F CB 1.344 40.447 39.000 0.171 0.000 1.258 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.890 123.238 121.223 0.209 0.000 2.485 765 L HA 0.166 4.514 4.340 0.013 0.000 0.279 765 L C 0.945 177.729 176.870 -0.143 0.000 1.124 765 L CA 0.396 55.008 54.840 -0.380 0.000 0.888 765 L CB 0.225 41.972 42.059 -0.520 0.000 1.217 765 L HN 0.686 nan 8.230 nan 0.000 0.464 766 S N 2.537 118.149 115.700 -0.146 0.000 2.503 766 S HA 0.250 4.728 4.470 0.013 0.000 0.217 766 S C 0.560 175.034 174.600 -0.209 0.000 0.999 766 S CA 0.007 58.154 58.200 -0.089 0.000 0.914 766 S CB 0.052 63.246 63.200 -0.010 0.000 0.782 766 S HN 0.703 nan 8.310 nan 0.000 0.520 767 Q N -0.294 119.312 119.800 -0.323 0.000 2.578 767 Q HA 0.672 5.020 4.340 0.013 0.000 0.284 767 Q C -2.025 173.588 176.000 -0.645 0.000 0.960 767 Q CA -0.310 55.161 55.803 -0.553 0.000 0.809 767 Q CB 1.565 29.855 28.738 -0.746 0.000 1.462 767 Q HN 0.395 nan 8.270 nan 0.000 0.392 768 M N 1.649 120.756 119.600 -0.821 0.000 2.433 768 M HA 0.582 5.069 4.480 0.013 0.000 0.290 768 M C -1.649 174.244 176.300 -0.678 0.000 1.173 768 M CA -0.390 54.511 55.300 -0.665 0.000 0.905 768 M CB 2.088 34.296 32.600 -0.654 0.000 1.692 768 M HN 0.539 nan 8.290 nan 0.000 0.462 769 W N 3.544 124.594 121.300 -0.418 0.000 2.844 769 W HA 0.651 5.318 4.660 0.013 0.000 0.340 769 W C -1.359 174.960 176.519 -0.333 0.000 1.093 769 W CA -0.650 56.516 57.345 -0.297 0.000 1.212 769 W CB 1.706 31.021 29.460 -0.242 0.000 1.422 769 W HN 0.470 nan 8.180 nan 0.000 0.515 770 I N 2.428 122.985 120.570 -0.021 0.000 2.418 770 I HA 0.509 4.687 4.170 0.013 0.000 0.287 770 I C 0.787 176.884 176.117 -0.034 0.000 1.008 770 I CA 0.059 61.308 61.300 -0.084 0.000 1.104 770 I CB 1.297 39.223 38.000 -0.124 0.000 1.264 770 I HN 0.691 nan 8.210 nan 0.000 0.438 771 G N 5.634 114.406 108.800 -0.046 0.000 2.527 771 G HA2 -0.284 3.684 3.960 0.013 0.000 0.268 771 G HA3 -0.284 3.684 3.960 0.013 0.000 0.268 771 G C -0.249 174.645 174.900 -0.009 0.000 1.175 771 G CA 0.303 45.381 45.100 -0.035 0.000 0.962 771 G HN 0.673 nan 8.290 nan 0.000 0.560 772 D N 1.048 121.456 120.400 0.014 0.000 2.891 772 D HA 0.452 5.100 4.640 0.013 0.000 0.312 772 D C -0.175 176.249 176.300 0.205 0.000 1.354 772 D CA -0.251 53.783 54.000 0.057 0.000 0.838 772 D CB 0.737 41.510 40.800 -0.044 0.000 1.117 772 D HN 0.144 nan 8.370 nan 0.000 0.473 773 K N 0.932 121.435 120.400 0.172 0.000 2.274 773 K HA 0.354 4.682 4.320 0.013 0.000 0.262 773 K C 0.137 176.742 176.600 0.010 0.000 0.961 773 K CA -0.669 55.675 56.287 0.095 0.000 0.833 773 K CB 1.417 33.921 32.500 0.007 0.000 1.102 773 K HN -0.040 nan 8.250 nan 0.000 0.436 774 K N 2.116 122.436 120.400 -0.132 0.000 2.448 774 K HA -0.004 4.324 4.320 0.013 0.000 0.278 774 K C 0.954 177.374 176.600 -0.301 0.000 1.009 774 K CA 0.215 56.220 56.287 -0.470 0.000 0.995 774 K CB 0.591 32.887 32.500 -0.340 0.000 0.917 774 K HN 0.354 nan 8.250 nan 0.000 0.481 775 Q N 1.654 121.243 119.800 -0.351 0.000 2.350 775 Q HA 0.155 4.503 4.340 0.013 0.000 0.225 775 Q C 0.096 176.026 176.000 -0.117 0.000 0.878 775 Q CA 0.419 56.144 55.803 -0.130 0.000 0.935 775 Q CB 0.461 29.181 28.738 -0.030 0.000 1.099 775 Q HN 0.498 nan 8.270 nan 0.000 0.527 776 L N 0.538 121.616 121.223 -0.241 0.000 2.331 776 L HA 0.380 4.728 4.340 0.013 0.000 0.275 776 L C 1.121 177.865 176.870 -0.211 0.000 1.022 776 L CA -0.395 54.323 54.840 -0.204 0.000 0.812 776 L CB 1.293 43.226 42.059 -0.210 0.000 1.257 776 L HN -0.101 nan 8.230 nan 0.000 0.435 777 L N 0.403 121.499 121.223 -0.213 0.000 2.537 777 L HA 0.190 4.538 4.340 0.013 0.000 0.224 777 L C 0.689 177.445 176.870 -0.191 0.000 1.065 777 L CA 0.530 55.250 54.840 -0.200 0.000 0.860 777 L CB 0.620 42.540 42.059 -0.233 0.000 1.086 777 L HN 0.796 nan 8.230 nan 0.000 0.482 778 T N -1.736 112.678 114.554 -0.233 0.000 2.933 778 T HA 0.503 4.861 4.350 0.013 0.000 0.305 778 T C -2.866 171.760 174.700 -0.123 0.000 1.092 778 T CA -1.829 60.178 62.100 -0.155 0.000 1.008 778 T CB 2.512 71.317 68.868 -0.106 0.000 1.102 778 T HN -0.289 nan 8.240 nan 0.000 0.469 779 P HA 0.232 nan 4.420 nan 0.000 0.270 779 P C -0.606 176.659 177.300 -0.058 0.000 1.227 779 P CA -0.699 62.372 63.100 -0.049 0.000 0.788 779 P CB 0.298 32.003 31.700 0.008 0.000 0.926 780 L N 2.887 124.108 121.223 -0.003 0.000 2.325 780 L HA 0.269 4.616 4.340 0.013 0.000 0.284 780 L C 0.062 176.872 176.870 -0.101 0.000 1.089 780 L CA 0.525 55.392 54.840 0.044 0.000 0.836 780 L CB -0.649 41.543 42.059 0.221 0.000 1.184 780 L HN 0.286 nan 8.230 nan 0.000 0.444 781 R N 2.779 123.114 120.500 -0.274 0.000 2.837 781 R HA 0.486 4.833 4.340 0.013 0.000 0.271 781 R C -0.977 175.148 176.300 -0.291 0.000 0.993 781 R CA -1.078 54.645 56.100 -0.628 0.000 0.931 781 R CB 1.213 31.002 30.300 -0.852 0.000 1.206 781 R HN 0.516 nan 8.270 nan 0.000 0.474 782 D N 1.217 121.503 120.400 -0.190 0.000 2.382 782 D HA 0.041 4.689 4.640 0.013 0.000 0.240 782 D C -0.412 175.514 176.300 -0.622 0.000 1.146 782 D CA 0.377 54.154 54.000 -0.372 0.000 0.897 782 D CB 0.659 41.198 40.800 -0.436 0.000 1.197 782 D HN 0.237 nan 8.370 nan 0.000 0.432 783 Q N 1.025 120.292 119.800 -0.889 0.000 2.305 783 Q HA 0.365 4.712 4.340 0.013 0.000 0.271 783 Q C -1.315 174.026 176.000 -1.097 0.000 1.046 783 Q CA -0.591 54.742 55.803 -0.783 0.000 0.798 783 Q CB 0.855 29.330 28.738 -0.438 0.000 1.286 783 Q HN 0.573 nan 8.270 nan 0.000 0.435 784 F N 0.731 120.301 119.950 -0.633 0.000 2.746 784 F HA 0.206 4.741 4.527 0.013 0.000 0.320 784 F C 0.475 175.828 175.800 -0.744 0.000 1.097 784 F CA -0.201 57.308 58.000 -0.820 0.000 1.195 784 F CB 1.635 39.819 39.000 -1.361 0.000 1.056 784 F HN 0.469 nan 8.300 nan 0.000 0.562 785 T N -0.848 113.410 114.554 -0.494 0.000 2.907 785 T HA 0.779 5.137 4.350 0.013 0.000 0.290 785 T C -0.602 173.867 174.700 -0.385 0.000 1.066 785 T CA -0.984 60.758 62.100 -0.597 0.000 1.012 785 T CB 2.756 71.235 68.868 -0.650 0.000 1.184 785 T HN 0.238 nan 8.240 nan 0.000 0.522 786 R N -0.160 120.153 120.500 -0.312 0.000 2.771 786 R HA 0.780 5.128 4.340 0.013 0.000 0.274 786 R C -0.815 175.541 176.300 0.094 0.000 0.987 786 R CA -1.241 54.799 56.100 -0.100 0.000 0.908 786 R CB 1.530 31.771 30.300 -0.098 0.000 1.213 786 R HN 0.831 nan 8.270 nan 0.000 0.468 787 A N 3.292 126.145 122.820 0.055 0.000 2.491 787 A HA 0.301 4.629 4.320 0.013 0.000 0.261 787 A C -2.024 175.621 177.584 0.102 0.000 1.101 787 A CA -1.307 50.758 52.037 0.047 0.000 0.772 787 A CB -0.449 18.521 19.000 -0.050 0.000 1.043 787 A HN 0.550 nan 8.150 nan 0.000 0.501 788 P HA 0.137 nan 4.420 nan 0.000 0.265 788 P C -0.232 177.184 177.300 0.193 0.000 1.193 788 P CA 0.322 63.585 63.100 0.273 0.000 0.765 788 P CB 0.378 32.278 31.700 0.333 0.000 0.823 789 L N 2.286 123.592 121.223 0.139 0.000 2.468 789 L HA 0.186 4.534 4.340 0.013 0.000 0.254 789 L C 1.823 178.726 176.870 0.055 0.000 1.171 789 L CA -0.470 54.392 54.840 0.036 0.000 0.809 789 L CB -0.021 41.986 42.059 -0.087 0.000 1.155 789 L HN 0.297 nan 8.230 nan 0.000 0.473 790 D N 0.229 120.606 120.400 -0.038 0.000 2.149 790 D HA -0.153 4.495 4.640 0.013 0.000 0.198 790 D C 1.637 177.886 176.300 -0.085 0.000 0.990 790 D CA 1.299 55.206 54.000 -0.156 0.000 0.839 790 D CB 0.015 40.633 40.800 -0.303 0.000 0.948 790 D HN 0.470 nan 8.370 nan 0.000 0.460 791 N N 1.165 119.829 118.700 -0.060 0.000 2.223 791 N HA -0.122 4.626 4.740 0.013 0.000 0.185 791 N C 1.188 176.729 175.510 0.051 0.000 1.016 791 N CA 0.789 53.834 53.050 -0.009 0.000 0.863 791 N CB -0.216 38.252 38.487 -0.032 0.000 0.983 791 N HN 0.272 nan 8.380 nan 0.000 0.429 792 D N 0.266 120.707 120.400 0.069 0.000 2.183 792 D HA 0.020 4.667 4.640 0.013 0.000 0.203 792 D C 1.992 178.356 176.300 0.105 0.000 0.969 792 D CA 0.437 54.512 54.000 0.125 0.000 0.842 792 D CB 0.093 41.039 40.800 0.244 0.000 0.957 792 D HN 0.328 nan 8.370 nan 0.000 0.484 793 I N 0.252 120.871 120.570 0.081 0.000 2.400 793 I HA 0.059 4.237 4.170 0.013 0.000 0.248 793 I C 1.776 177.930 176.117 0.062 0.000 1.109 793 I CA 0.645 61.980 61.300 0.058 0.000 1.425 793 I CB -0.326 37.680 38.000 0.010 0.000 1.094 793 I HN 0.055 nan 8.210 nan 0.000 0.425 794 G N 1.197 110.050 108.800 0.088 0.000 2.566 794 G HA2 -0.334 3.634 3.960 0.013 0.000 0.280 794 G HA3 -0.334 3.634 3.960 0.013 0.000 0.280 794 G C 0.655 175.715 174.900 0.268 0.000 1.225 794 G CA 0.670 45.882 45.100 0.186 0.000 0.966 794 G HN 0.559 nan 8.290 nan 0.000 0.560 795 V N -1.822 118.194 119.914 0.170 0.000 3.633 795 V HA 0.580 4.708 4.120 0.013 0.000 0.283 795 V C 1.322 177.429 176.094 0.022 0.000 1.305 795 V CA 1.266 63.602 62.300 0.060 0.000 1.153 795 V CB -0.068 31.675 31.823 -0.133 0.000 0.950 795 V HN 1.237 nan 8.190 nan 0.000 0.432 796 S N 0.885 116.606 115.700 0.035 0.000 2.572 796 S HA 0.396 4.874 4.470 0.013 0.000 0.279 796 S C -0.160 174.450 174.600 0.016 0.000 1.341 796 S CA 0.078 58.284 58.200 0.010 0.000 1.043 796 S CB 0.625 63.830 63.200 0.008 0.000 0.887 796 S HN 0.826 nan 8.310 nan 0.000 0.516 797 E N 0.463 120.667 120.200 0.007 0.000 2.412 797 E HA 0.522 4.879 4.350 0.013 0.000 0.279 797 E C 0.412 177.021 176.600 0.014 0.000 0.984 797 E CA -0.315 56.094 56.400 0.015 0.000 0.788 797 E CB 1.323 31.028 29.700 0.008 0.000 1.277 797 E HN 0.580 nan 8.360 nan 0.000 0.455 798 A N 0.620 123.455 122.820 0.024 0.000 1.958 798 A HA -0.250 4.078 4.320 0.013 0.000 0.221 798 A C 1.945 179.538 177.584 0.015 0.000 1.178 798 A CA 2.847 54.898 52.037 0.023 0.000 0.642 798 A CB -0.960 18.060 19.000 0.032 0.000 0.816 798 A HN 0.679 nan 8.150 nan 0.000 0.453 799 T N -4.014 110.546 114.554 0.010 0.000 3.044 799 T HA 0.140 4.498 4.350 0.013 0.000 0.255 799 T C 1.031 175.727 174.700 -0.007 0.000 1.073 799 T CA 0.756 62.858 62.100 0.003 0.000 1.125 799 T CB -0.031 68.838 68.868 0.002 0.000 0.908 799 T HN 0.339 nan 8.240 nan 0.000 0.480 800 R N 1.076 121.569 120.500 -0.012 0.000 2.494 800 R HA 0.436 4.784 4.340 0.013 0.000 0.284 800 R C -0.848 175.439 176.300 -0.022 0.000 1.525 800 R CA -0.650 55.436 56.100 -0.024 0.000 1.460 800 R CB 0.128 30.404 30.300 -0.040 0.000 1.134 800 R HN 0.264 nan 8.270 nan 0.000 0.592 801 I N 2.053 122.612 120.570 -0.017 0.000 2.634 801 I HA 0.020 4.198 4.170 0.013 0.000 0.284 801 I C 0.087 176.186 176.117 -0.030 0.000 1.124 801 I CA 0.299 61.589 61.300 -0.016 0.000 1.417 801 I CB 1.206 39.199 38.000 -0.011 0.000 1.396 801 I HN 0.574 nan 8.210 nan 0.000 0.571 802 D N 8.781 129.161 120.400 -0.033 0.000 2.472 802 D HA 0.295 4.942 4.640 0.013 0.000 0.234 802 D C -1.737 174.523 176.300 -0.066 0.000 1.088 802 D CA -2.223 51.749 54.000 -0.048 0.000 0.882 802 D CB 1.505 42.280 40.800 -0.042 0.000 1.037 802 D HN 0.141 nan 8.370 nan 0.000 0.520 803 P HA -0.127 nan 4.420 nan 0.000 0.221 803 P C 0.992 178.205 177.300 -0.145 0.000 1.145 803 P CA 0.671 63.716 63.100 -0.091 0.000 0.795 803 P CB 0.392 32.045 31.700 -0.078 0.000 0.775 804 N N 0.161 118.771 118.700 -0.149 0.000 2.331 804 N HA -0.016 4.732 4.740 0.013 0.000 0.180 804 N C 0.529 175.861 175.510 -0.297 0.000 1.019 804 N CA 0.289 53.209 53.050 -0.216 0.000 0.881 804 N CB -0.669 37.718 38.487 -0.167 0.000 0.972 804 N HN -0.021 nan 8.380 nan 0.000 0.435 805 A N -0.562 122.132 122.820 -0.209 0.000 2.483 805 A HA 0.033 4.360 4.320 0.013 0.000 0.238 805 A C 0.814 178.199 177.584 -0.332 0.000 1.070 805 A CA -0.248 51.665 52.037 -0.207 0.000 0.770 805 A CB -0.248 18.706 19.000 -0.076 0.000 1.008 805 A HN 0.528 nan 8.150 nan 0.000 0.497 806 W N 1.560 122.624 121.300 -0.393 0.000 2.318 806 W HA -0.179 4.489 4.660 0.013 0.000 0.313 806 W C 2.263 178.197 176.519 -0.975 0.000 1.221 806 W CA 1.818 58.683 57.345 -0.801 0.000 1.266 806 W CB -0.369 28.523 29.460 -0.947 0.000 1.150 806 W HN 0.559 nan 8.180 nan 0.000 0.496 807 V N 0.945 120.727 119.914 -0.220 0.000 2.392 807 V HA -0.287 3.840 4.120 0.013 0.000 0.249 807 V C 2.135 178.315 176.094 0.143 0.000 1.059 807 V CA 2.201 64.592 62.300 0.153 0.000 1.051 807 V CB -0.366 31.601 31.823 0.241 0.000 0.658 807 V HN 0.122 nan 8.190 nan 0.000 0.455 808 E N -0.095 120.096 120.200 -0.015 0.000 2.107 808 E HA -0.189 4.169 4.350 0.013 0.000 0.191 808 E C 2.325 178.896 176.600 -0.049 0.000 0.982 808 E CA 1.125 57.517 56.400 -0.012 0.000 0.809 808 E CB -0.314 29.358 29.700 -0.047 0.000 0.756 808 E HN 0.620 nan 8.360 nan 0.000 0.459 809 R N -0.047 120.343 120.500 -0.183 0.000 2.081 809 R HA -0.119 4.228 4.340 0.013 0.000 0.235 809 R C 2.303 178.538 176.300 -0.109 0.000 1.131 809 R CA 1.381 57.352 56.100 -0.215 0.000 0.960 809 R CB -0.169 29.894 30.300 -0.395 0.000 0.856 809 R HN 0.250 nan 8.270 nan 0.000 0.436 810 W N 1.330 122.598 121.300 -0.052 0.000 2.379 810 W HA -0.045 4.623 4.660 0.013 0.000 0.307 810 W C 1.935 178.392 176.519 -0.104 0.000 1.200 810 W CA 0.657 57.862 57.345 -0.234 0.000 1.297 810 W CB -0.686 28.744 29.460 -0.050 0.000 1.140 810 W HN 0.096 nan 8.180 nan 0.000 0.507 811 K N 0.271 120.880 120.400 0.349 0.000 2.009 811 K HA -0.121 4.207 4.320 0.013 0.000 0.210 811 K C 2.256 178.913 176.600 0.094 0.000 1.049 811 K CA 1.989 58.448 56.287 0.287 0.000 0.929 811 K CB -0.650 31.977 32.500 0.212 0.000 0.714 811 K HN -0.025 nan 8.250 nan 0.000 0.440 812 A N 0.910 123.758 122.820 0.045 0.000 2.070 812 A HA -0.083 4.244 4.320 0.013 0.000 0.220 812 A C 2.112 179.678 177.584 -0.030 0.000 1.159 812 A CA 1.769 53.813 52.037 0.011 0.000 0.656 812 A CB -0.490 18.510 19.000 -0.001 0.000 0.800 812 A HN 0.356 nan 8.150 nan 0.000 0.453 813 A N -2.001 120.766 122.820 -0.090 0.000 2.251 813 A HA 0.424 4.752 4.320 0.013 0.000 0.209 813 A C 1.753 179.226 177.584 -0.184 0.000 1.187 813 A CA 1.138 53.122 52.037 -0.090 0.000 0.823 813 A CB -0.745 18.172 19.000 -0.139 0.000 0.846 813 A HN 1.828 nan 8.150 nan 0.000 0.486 814 G N -1.264 107.343 108.800 -0.321 0.000 2.141 814 G HA2 -0.309 3.659 3.960 0.013 0.000 0.242 814 G HA3 -0.309 3.659 3.960 0.013 0.000 0.242 814 G C 0.577 175.463 174.900 -0.023 0.000 0.982 814 G CA 0.676 45.425 45.100 -0.585 0.000 0.662 814 G HN 0.755 nan 8.290 nan 0.000 0.527 815 H N -1.462 117.580 119.070 -0.047 0.000 2.387 815 H HA -0.106 4.458 4.556 0.013 0.000 0.299 815 H C 2.177 177.470 175.328 -0.058 0.000 1.099 815 H CA 1.624 57.651 56.048 -0.033 0.000 1.315 815 H CB 0.043 29.715 29.762 -0.151 0.000 1.380 815 H HN 0.619 nan 8.280 nan 0.000 0.513 816 Y N 0.795 121.217 120.300 0.202 0.000 2.519 816 Y HA -0.088 4.470 4.550 0.013 0.000 0.287 816 Y C 2.374 178.363 175.900 0.147 0.000 1.128 816 Y CA 0.431 58.615 58.100 0.141 0.000 1.282 816 Y CB 0.436 38.963 38.460 0.111 0.000 1.027 816 Y HN 0.330 nan 8.280 nan 0.000 0.551 817 Q N 0.017 119.990 119.800 0.289 0.000 2.217 817 Q HA 0.338 4.685 4.340 0.013 0.000 0.217 817 Q C 0.602 176.787 176.000 0.309 0.000 0.844 817 Q CA 0.174 56.139 55.803 0.269 0.000 0.957 817 Q CB -0.046 28.837 28.738 0.242 0.000 1.127 817 Q HN 0.174 nan 8.270 nan 0.000 0.503 818 A N 1.646 124.669 122.820 0.338 0.000 2.492 818 A HA 0.182 4.510 4.320 0.013 0.000 0.236 818 A C -0.374 177.489 177.584 0.465 0.000 1.078 818 A CA 0.180 52.468 52.037 0.419 0.000 0.773 818 A CB 0.185 19.475 19.000 0.484 0.000 1.023 818 A HN 0.391 nan 8.150 nan 0.000 0.504 819 E N 0.030 120.442 120.200 0.352 0.000 2.256 819 E HA 0.547 4.904 4.350 0.013 0.000 0.267 819 E C -0.264 176.279 176.600 -0.094 0.000 0.892 819 E CA -0.767 55.771 56.400 0.229 0.000 0.775 819 E CB 1.943 31.735 29.700 0.154 0.000 1.207 819 E HN 0.859 nan 8.360 nan 0.000 0.420 820 A N 1.606 124.239 122.820 -0.312 0.000 2.462 820 A HA 0.520 4.847 4.320 0.013 0.000 0.243 820 A C -0.281 177.115 177.584 -0.314 0.000 1.076 820 A CA -0.006 51.530 52.037 -0.834 0.000 0.773 820 A CB 0.282 18.929 19.000 -0.589 0.000 1.010 820 A HN 0.570 nan 8.150 nan 0.000 0.493 821 A N 2.267 124.896 122.820 -0.318 0.000 2.311 821 A HA 0.558 4.886 4.320 0.013 0.000 0.306 821 A C -0.469 177.026 177.584 -0.149 0.000 1.189 821 A CA -0.548 51.405 52.037 -0.140 0.000 0.791 821 A CB 0.478 19.424 19.000 -0.090 0.000 1.172 821 A HN 1.353 nan 8.150 nan 0.000 0.481 822 L N 3.373 124.502 121.223 -0.156 0.000 2.410 822 L HA 0.292 4.640 4.340 0.013 0.000 0.273 822 L C 0.377 177.111 176.870 -0.226 0.000 1.144 822 L CA 0.391 55.039 54.840 -0.320 0.000 0.863 822 L CB 0.250 42.133 42.059 -0.294 0.000 1.140 822 L HN 0.767 nan 8.230 nan 0.000 0.463 823 L N 3.576 124.650 121.223 -0.248 0.000 2.470 823 L HA 0.334 4.682 4.340 0.013 0.000 0.219 823 L C 0.392 177.190 176.870 -0.120 0.000 1.071 823 L CA 0.052 54.813 54.840 -0.132 0.000 0.850 823 L CB 0.001 42.015 42.059 -0.075 0.000 1.040 823 L HN 0.794 nan 8.230 nan 0.000 0.475 824 Q N -0.637 119.059 119.800 -0.172 0.000 2.545 824 Q HA 0.354 4.702 4.340 0.013 0.000 0.273 824 Q C -1.972 173.966 176.000 -0.104 0.000 0.975 824 Q CA -0.688 55.054 55.803 -0.103 0.000 0.876 824 Q CB 2.567 31.269 28.738 -0.060 0.000 1.472 824 Q HN 0.011 nan 8.270 nan 0.000 0.389 825 C N 3.183 122.470 119.300 -0.021 0.000 2.789 825 C HA 0.803 5.271 4.460 0.013 0.000 0.367 825 C C -0.980 174.097 174.990 0.145 0.000 1.062 825 C CA 0.665 59.716 59.018 0.056 0.000 1.297 825 C CB 0.414 28.199 27.740 0.076 0.000 1.794 825 C HN 0.828 nan 8.230 nan 0.000 0.474 826 T N 2.500 117.055 114.554 0.002 0.000 2.916 826 T HA 0.911 5.269 4.350 0.013 0.000 0.292 826 T C -0.486 173.917 174.700 -0.496 0.000 1.064 826 T CA -0.223 61.802 62.100 -0.126 0.000 1.011 826 T CB 1.973 70.790 68.868 -0.085 0.000 1.152 826 T HN 1.759 nan 8.240 nan 0.000 0.510 827 A N 1.595 123.962 122.820 -0.754 0.000 2.393 827 A HA 0.743 5.071 4.320 0.013 0.000 0.306 827 A C -1.181 176.143 177.584 -0.433 0.000 1.050 827 A CA -0.776 50.772 52.037 -0.816 0.000 0.724 827 A CB 1.261 19.399 19.000 -1.436 0.000 1.248 827 A HN 0.883 nan 8.150 nan 0.000 0.424 828 D N 1.076 121.295 120.400 -0.301 0.000 2.671 828 D HA 0.517 5.165 4.640 0.013 0.000 0.232 828 D C -0.861 175.349 176.300 -0.152 0.000 1.114 828 D CA -0.032 53.856 54.000 -0.185 0.000 0.858 828 D CB 2.353 43.075 40.800 -0.131 0.000 1.544 828 D HN 0.432 nan 8.370 nan 0.000 0.471 829 T N 1.552 116.040 114.554 -0.109 0.000 2.795 829 T HA 0.524 4.882 4.350 0.013 0.000 0.282 829 T C 0.482 175.146 174.700 -0.059 0.000 0.980 829 T CA -0.525 61.525 62.100 -0.083 0.000 1.012 829 T CB 1.027 69.857 68.868 -0.064 0.000 0.936 829 T HN 0.112 nan 8.240 nan 0.000 0.457 830 L N 1.221 122.414 121.223 -0.051 0.000 2.299 830 L HA 0.632 4.979 4.340 0.013 0.000 0.268 830 L C 1.948 178.805 176.870 -0.022 0.000 1.012 830 L CA -1.366 53.452 54.840 -0.037 0.000 0.816 830 L CB 0.463 42.498 42.059 -0.039 0.000 1.355 830 L HN 0.712 nan 8.230 nan 0.000 0.457 831 A N 0.656 123.467 122.820 -0.016 0.000 1.892 831 A HA -0.193 4.134 4.320 0.013 0.000 0.218 831 A C 1.047 178.629 177.584 -0.002 0.000 1.188 831 A CA 2.293 54.326 52.037 -0.007 0.000 0.631 831 A CB -0.530 18.466 19.000 -0.006 0.000 0.822 831 A HN 0.913 nan 8.150 nan 0.000 0.447 832 D N -2.707 117.690 120.400 -0.005 0.000 2.673 832 D HA 0.575 5.223 4.640 0.013 0.000 0.278 832 D C -0.117 176.180 176.300 -0.005 0.000 1.393 832 D CA 0.628 54.630 54.000 0.002 0.000 0.805 832 D CB -0.275 40.527 40.800 0.003 0.000 1.110 832 D HN 0.570 nan 8.370 nan 0.000 0.476 833 A N -0.730 122.078 122.820 -0.020 0.000 2.540 833 A HA 0.618 4.946 4.320 0.013 0.000 0.291 833 A C -1.838 175.708 177.584 -0.063 0.000 1.083 833 A CA -0.697 51.313 52.037 -0.044 0.000 0.650 833 A CB 1.343 20.312 19.000 -0.051 0.000 1.292 833 A HN 0.029 nan 8.150 nan 0.000 0.435 834 V N 0.474 120.331 119.914 -0.094 0.000 2.555 834 V HA 0.661 4.789 4.120 0.013 0.000 0.302 834 V C -0.930 175.078 176.094 -0.143 0.000 1.038 834 V CA -0.408 61.819 62.300 -0.121 0.000 0.887 834 V CB 1.417 33.167 31.823 -0.122 0.000 0.991 834 V HN 0.911 nan 8.190 nan 0.000 0.434 835 L N 6.303 127.429 121.223 -0.161 0.000 2.343 835 L HA 0.643 4.991 4.340 0.013 0.000 0.278 835 L C -0.892 175.838 176.870 -0.233 0.000 0.996 835 L CA -0.011 54.736 54.840 -0.156 0.000 0.831 835 L CB 1.131 43.123 42.059 -0.112 0.000 1.232 835 L HN 0.418 nan 8.230 nan 0.000 0.413 836 I N 4.071 124.486 120.570 -0.258 0.000 2.359 836 I HA 0.446 4.623 4.170 0.013 0.000 0.294 836 I C -0.017 176.014 176.117 -0.142 0.000 0.987 836 I CA -0.215 60.862 61.300 -0.373 0.000 1.225 836 I CB 1.489 38.994 38.000 -0.825 0.000 1.366 836 I HN 0.573 nan 8.210 nan 0.000 0.466 837 T N 4.691 119.166 114.554 -0.131 0.000 2.824 837 T HA 0.644 5.002 4.350 0.013 0.000 0.282 837 T C 0.109 174.814 174.700 0.009 0.000 0.993 837 T CA -0.565 61.515 62.100 -0.033 0.000 0.967 837 T CB 1.940 70.775 68.868 -0.055 0.000 0.960 837 T HN 0.774 nan 8.240 nan 0.000 0.441 838 T N -0.612 113.990 114.554 0.081 0.000 2.906 838 T HA 0.879 5.236 4.350 0.013 0.000 0.295 838 T C -1.151 173.585 174.700 0.061 0.000 1.075 838 T CA -1.099 61.041 62.100 0.066 0.000 1.005 838 T CB 2.026 71.014 68.868 0.200 0.000 1.136 838 T HN 0.794 nan 8.240 nan 0.000 0.498 839 A N 1.514 124.292 122.820 -0.070 0.000 2.408 839 A HA 0.759 5.087 4.320 0.013 0.000 0.295 839 A C -1.395 176.072 177.584 -0.194 0.000 1.040 839 A CA -0.754 51.278 52.037 -0.009 0.000 0.707 839 A CB 0.803 19.812 19.000 0.015 0.000 1.235 839 A HN 0.999 nan 8.150 nan 0.000 0.418 840 H N 0.099 119.215 119.070 0.077 0.000 2.865 840 H HA 0.820 5.384 4.556 0.013 0.000 0.372 840 H C -0.092 175.244 175.328 0.014 0.000 1.173 840 H CA 0.233 56.245 56.048 -0.060 0.000 1.147 840 H CB 2.188 31.845 29.762 -0.175 0.000 1.805 840 H HN 1.017 nan 8.280 nan 0.000 0.553 841 A N 1.581 124.380 122.820 -0.035 0.000 2.393 841 A HA 0.457 4.785 4.320 0.013 0.000 0.306 841 A C -1.531 176.040 177.584 -0.021 0.000 1.050 841 A CA -0.705 51.402 52.037 0.118 0.000 0.724 841 A CB 1.319 20.370 19.000 0.085 0.000 1.248 841 A HN 0.576 nan 8.150 nan 0.000 0.424 842 W N 1.949 123.366 121.300 0.196 0.000 2.429 842 W HA 0.460 5.128 4.660 0.013 0.000 0.314 842 W C -0.398 176.161 176.519 0.066 0.000 1.062 842 W CA -0.205 57.256 57.345 0.194 0.000 1.211 842 W CB 1.801 31.447 29.460 0.310 0.000 1.305 842 W HN 0.770 nan 8.180 nan 0.000 0.476 843 Q N 1.710 121.658 119.800 0.246 0.000 2.484 843 Q HA 0.425 4.772 4.340 0.013 0.000 0.285 843 Q C -0.984 175.151 176.000 0.225 0.000 1.097 843 Q CA -0.934 54.968 55.803 0.165 0.000 0.802 843 Q CB 3.680 32.474 28.738 0.093 0.000 1.444 843 Q HN 0.421 nan 8.270 nan 0.000 0.429 844 H N 1.158 120.267 119.070 0.066 0.000 3.017 844 H HA 0.096 4.660 4.556 0.013 0.000 0.340 844 H C -0.935 174.429 175.328 0.059 0.000 1.014 844 H CA -0.139 55.959 56.048 0.083 0.000 1.341 844 H CB 1.246 31.068 29.762 0.100 0.000 1.739 844 H HN 0.851 nan 8.280 nan 0.000 0.506 845 Q N 3.280 122.832 119.800 -0.414 0.000 2.435 845 Q HA -0.242 4.106 4.340 0.013 0.000 0.312 845 Q C 0.940 176.869 176.000 -0.119 0.000 1.333 845 Q CA 1.180 56.791 55.803 -0.320 0.000 0.883 845 Q CB -1.338 27.123 28.738 -0.462 0.000 1.170 845 Q HN 1.175 nan 8.270 nan 0.000 0.443 846 G N -0.439 108.328 108.800 -0.055 0.000 2.179 846 G HA2 -0.372 3.596 3.960 0.013 0.000 0.260 846 G HA3 -0.372 3.596 3.960 0.013 0.000 0.260 846 G C -0.028 174.879 174.900 0.011 0.000 0.977 846 G CA 0.546 45.638 45.100 -0.013 0.000 0.641 846 G HN 0.364 nan 8.290 nan 0.000 0.533 847 K N 1.283 121.701 120.400 0.031 0.000 2.183 847 K HA 0.636 4.964 4.320 0.013 0.000 0.274 847 K C 0.096 176.717 176.600 0.035 0.000 1.009 847 K CA -0.216 56.094 56.287 0.039 0.000 0.888 847 K CB 0.931 33.465 32.500 0.055 0.000 1.078 847 K HN -0.034 nan 8.250 nan 0.000 0.459 848 T N 6.607 121.170 114.554 0.015 0.000 2.776 848 T HA 0.179 4.537 4.350 0.013 0.000 0.292 848 T C 1.143 175.794 174.700 -0.081 0.000 0.921 848 T CA -0.297 61.809 62.100 0.010 0.000 1.038 848 T CB -0.043 68.846 68.868 0.035 0.000 0.910 848 T HN 0.547 nan 8.240 nan 0.000 0.536 849 L N 2.626 123.720 121.223 -0.216 0.000 2.023 849 L HA 0.226 4.574 4.340 0.013 0.000 0.205 849 L C 0.156 176.509 176.870 -0.861 0.000 1.073 849 L CA 1.185 55.603 54.840 -0.703 0.000 0.745 849 L CB -0.164 41.177 42.059 -1.197 0.000 0.900 849 L HN 0.482 nan 8.230 nan 0.000 0.435 850 F N -1.507 118.406 119.950 -0.061 0.000 2.613 850 F HA 0.598 5.133 4.527 0.013 0.000 0.314 850 F C -0.424 175.489 175.800 0.189 0.000 1.075 850 F CA -0.854 57.054 58.000 -0.153 0.000 0.945 850 F CB 1.950 40.435 39.000 -0.859 0.000 1.310 850 F HN -0.327 nan 8.300 nan 0.000 0.467 851 I N 1.372 122.181 120.570 0.398 0.000 2.466 851 I HA 0.358 4.536 4.170 0.013 0.000 0.289 851 I C -0.877 175.525 176.117 0.474 0.000 1.026 851 I CA -0.525 61.032 61.300 0.429 0.000 1.078 851 I CB 2.164 40.320 38.000 0.260 0.000 1.249 851 I HN 0.538 nan 8.210 nan 0.000 0.429 852 S N 6.958 123.036 115.700 0.631 0.000 2.498 852 S HA 0.580 5.058 4.470 0.013 0.000 0.317 852 S C -0.672 174.170 174.600 0.403 0.000 1.090 852 S CA -0.706 57.817 58.200 0.540 0.000 1.089 852 S CB 0.688 64.320 63.200 0.720 0.000 0.997 852 S HN 0.556 nan 8.310 nan 0.000 0.470 853 R N 3.563 124.220 120.500 0.263 0.000 2.445 853 R HA 0.594 4.942 4.340 0.013 0.000 0.308 853 R C -0.743 175.619 176.300 0.103 0.000 0.961 853 R CA -0.830 55.376 56.100 0.177 0.000 0.862 853 R CB 1.780 32.156 30.300 0.127 0.000 1.144 853 R HN 0.565 nan 8.270 nan 0.000 0.447 854 K N 0.789 121.231 120.400 0.070 0.000 2.480 854 K HA 0.484 4.812 4.320 0.013 0.000 0.258 854 K C -0.803 175.731 176.600 -0.110 0.000 0.990 854 K CA -0.999 55.240 56.287 -0.080 0.000 0.857 854 K CB 2.468 34.852 32.500 -0.195 0.000 1.384 854 K HN 0.648 nan 8.250 nan 0.000 0.446 855 T N -1.515 112.903 114.554 -0.227 0.000 2.893 855 T HA 0.569 4.926 4.350 0.013 0.000 0.293 855 T C -1.300 173.239 174.700 -0.269 0.000 1.027 855 T CA -0.748 61.261 62.100 -0.151 0.000 0.988 855 T CB 0.549 69.372 68.868 -0.075 0.000 1.043 855 T HN 0.444 nan 8.240 nan 0.000 0.461 856 Y N 0.838 121.083 120.300 -0.091 0.000 2.326 856 Y HA 0.601 5.158 4.550 0.013 0.000 0.329 856 Y C 0.377 176.205 175.900 -0.120 0.000 0.973 856 Y CA -1.048 57.018 58.100 -0.056 0.000 1.162 856 Y CB 1.920 40.364 38.460 -0.027 0.000 1.147 856 Y HN 0.665 nan 8.280 nan 0.000 0.456 857 R N 4.798 125.321 120.500 0.039 0.000 2.337 857 R HA 0.605 4.953 4.340 0.013 0.000 0.319 857 R C -1.651 174.597 176.300 -0.086 0.000 0.954 857 R CA -0.493 55.584 56.100 -0.037 0.000 0.840 857 R CB 0.579 30.863 30.300 -0.028 0.000 1.164 857 R HN 0.808 nan 8.270 nan 0.000 0.472 858 I N 5.337 125.799 120.570 -0.180 0.000 2.312 858 I HA 0.151 4.329 4.170 0.013 0.000 0.290 858 I C -0.106 175.896 176.117 -0.192 0.000 1.008 858 I CA -0.539 60.564 61.300 -0.328 0.000 1.226 858 I CB 1.312 38.904 38.000 -0.680 0.000 1.371 858 I HN 0.674 nan 8.210 nan 0.000 0.468 859 D N 4.271 124.601 120.400 -0.118 0.000 2.494 859 D HA 0.262 4.910 4.640 0.013 0.000 0.259 859 D C 1.335 177.640 176.300 0.007 0.000 1.109 859 D CA -0.742 53.234 54.000 -0.040 0.000 1.040 859 D CB 0.813 41.608 40.800 -0.009 0.000 1.175 859 D HN 0.440 nan 8.370 nan 0.000 0.584 860 G N -1.158 107.661 108.800 0.031 0.000 2.501 860 G HA2 -0.216 3.752 3.960 0.013 0.000 0.220 860 G HA3 -0.216 3.752 3.960 0.013 0.000 0.220 860 G C 1.131 176.090 174.900 0.098 0.000 1.114 860 G CA 1.226 46.366 45.100 0.066 0.000 0.757 860 G HN 0.590 nan 8.290 nan 0.000 0.559 861 S N -1.384 114.370 115.700 0.090 0.000 2.556 861 S HA 0.426 4.904 4.470 0.013 0.000 0.216 861 S C 1.712 176.391 174.600 0.131 0.000 0.970 861 S CA 0.783 59.050 58.200 0.113 0.000 0.912 861 S CB 0.247 63.508 63.200 0.101 0.000 0.790 861 S HN 1.454 nan 8.310 nan 0.000 0.504 862 G N 0.746 109.638 108.800 0.153 0.000 2.195 862 G HA2 -0.213 3.755 3.960 0.013 0.000 0.246 862 G HA3 -0.213 3.755 3.960 0.013 0.000 0.246 862 G C -0.095 174.950 174.900 0.242 0.000 0.984 862 G CA -0.053 45.204 45.100 0.260 0.000 0.633 862 G HN 0.574 nan 8.290 nan 0.000 0.525 863 Q N 0.020 119.901 119.800 0.135 0.000 2.327 863 Q HA 0.535 4.883 4.340 0.013 0.000 0.254 863 Q C 0.151 176.177 176.000 0.043 0.000 0.952 863 Q CA 0.107 55.986 55.803 0.127 0.000 0.884 863 Q CB 1.521 30.323 28.738 0.107 0.000 1.224 863 Q HN 0.531 nan 8.270 nan 0.000 0.422 864 M N 1.823 121.484 119.600 0.100 0.000 2.078 864 M HA 0.474 4.961 4.480 0.013 0.000 0.320 864 M C -1.424 174.969 176.300 0.155 0.000 0.969 864 M CA -0.460 54.865 55.300 0.041 0.000 0.929 864 M CB 1.158 33.770 32.600 0.019 0.000 1.504 864 M HN 0.648 nan 8.290 nan 0.000 0.419 865 A N 6.972 129.850 122.820 0.098 0.000 2.260 865 A HA 0.691 5.018 4.320 0.013 0.000 0.308 865 A C -0.774 176.853 177.584 0.072 0.000 1.254 865 A CA -0.630 51.470 52.037 0.105 0.000 0.874 865 A CB 0.162 19.204 19.000 0.070 0.000 1.153 865 A HN 0.921 nan 8.150 nan 0.000 0.527 866 I N 2.569 123.175 120.570 0.060 0.000 2.362 866 I HA 0.317 4.495 4.170 0.013 0.000 0.289 866 I C -0.177 175.833 176.117 -0.178 0.000 0.994 866 I CA -0.243 60.992 61.300 -0.109 0.000 1.158 866 I CB 2.002 39.984 38.000 -0.030 0.000 1.315 866 I HN 0.488 nan 8.210 nan 0.000 0.451 867 T N 5.770 120.176 114.554 -0.246 0.000 2.797 867 T HA 0.557 4.915 4.350 0.013 0.000 0.279 867 T C -0.202 174.285 174.700 -0.356 0.000 0.991 867 T CA -0.487 61.466 62.100 -0.245 0.000 0.979 867 T CB 1.968 70.794 68.868 -0.070 0.000 0.943 867 T HN 0.226 nan 8.240 nan 0.000 0.444 868 V N 3.403 122.979 119.914 -0.563 0.000 2.540 868 V HA 0.526 4.653 4.120 0.013 0.000 0.302 868 V C -0.704 175.235 176.094 -0.258 0.000 1.035 868 V CA -0.894 61.099 62.300 -0.512 0.000 0.873 868 V CB 2.051 33.283 31.823 -0.986 0.000 0.992 868 V HN 0.877 nan 8.190 nan 0.000 0.428 869 D N 3.161 123.568 120.400 0.011 0.000 2.575 869 D HA 0.477 5.125 4.640 0.013 0.000 0.250 869 D C -1.147 175.279 176.300 0.210 0.000 1.279 869 D CA -0.111 53.989 54.000 0.166 0.000 0.925 869 D CB 2.776 43.696 40.800 0.200 0.000 1.261 869 D HN 0.266 nan 8.370 nan 0.000 0.567 870 V N 2.100 122.177 119.914 0.270 0.000 2.581 870 V HA 0.327 4.454 4.120 0.013 0.000 0.303 870 V C 0.117 176.360 176.094 0.247 0.000 1.041 870 V CA -0.694 61.782 62.300 0.294 0.000 0.907 870 V CB 2.456 34.493 31.823 0.356 0.000 0.994 870 V HN 0.363 nan 8.190 nan 0.000 0.442 871 E N 2.329 122.664 120.200 0.224 0.000 2.183 871 E HA 0.646 5.004 4.350 0.013 0.000 0.271 871 E C -1.531 175.185 176.600 0.194 0.000 0.919 871 E CA -0.606 55.898 56.400 0.174 0.000 0.781 871 E CB 2.578 32.362 29.700 0.140 0.000 1.140 871 E HN 0.406 nan 8.360 nan 0.000 0.402 872 V N 2.215 122.240 119.914 0.186 0.000 2.444 872 V HA 0.354 4.482 4.120 0.013 0.000 0.294 872 V C -0.021 176.156 176.094 0.138 0.000 1.022 872 V CA -0.905 61.524 62.300 0.214 0.000 0.850 872 V CB 1.511 33.503 31.823 0.282 0.000 0.992 872 V HN 0.847 nan 8.190 nan 0.000 0.426 873 A N 3.594 126.449 122.820 0.059 0.000 2.566 873 A HA 0.243 4.570 4.320 0.013 0.000 0.245 873 A C 1.692 179.335 177.584 0.099 0.000 1.056 873 A CA 0.690 52.756 52.037 0.048 0.000 0.757 873 A CB 0.218 19.212 19.000 -0.010 0.000 0.979 873 A HN 1.411 nan 8.150 nan 0.000 0.508 874 S N 1.466 117.224 115.700 0.097 0.000 2.419 874 S HA -0.193 4.285 4.470 0.013 0.000 0.235 874 S C 0.964 175.637 174.600 0.121 0.000 1.019 874 S CA 1.538 59.814 58.200 0.128 0.000 0.982 874 S CB -0.321 62.933 63.200 0.091 0.000 0.789 874 S HN 0.846 nan 8.310 nan 0.000 0.490 875 D N 0.034 120.479 120.400 0.076 0.000 2.349 875 D HA 0.148 4.796 4.640 0.013 0.000 0.214 875 D C 0.522 176.849 176.300 0.045 0.000 1.063 875 D CA 0.023 54.052 54.000 0.048 0.000 0.847 875 D CB -0.397 40.420 40.800 0.028 0.000 0.933 875 D HN 0.307 nan 8.370 nan 0.000 0.513 876 T N 1.437 116.041 114.554 0.083 0.000 2.922 876 T HA 0.396 4.754 4.350 0.013 0.000 0.285 876 T C -2.592 172.208 174.700 0.167 0.000 1.005 876 T CA -1.934 60.240 62.100 0.125 0.000 1.061 876 T CB 1.161 70.117 68.868 0.147 0.000 1.007 876 T HN -0.132 nan 8.240 nan 0.000 0.502 877 P HA 0.069 nan 4.420 nan 0.000 0.264 877 P C -0.594 177.021 177.300 0.526 0.000 1.183 877 P CA 0.150 63.365 63.100 0.193 0.000 0.763 877 P CB -0.084 31.706 31.700 0.149 0.000 0.807 878 H N 3.807 123.245 119.070 0.613 0.000 3.034 878 H HA 0.073 4.637 4.556 0.013 0.000 0.324 878 H C -1.568 174.102 175.328 0.571 0.000 1.015 878 H CA -1.244 55.108 56.048 0.506 0.000 1.429 878 H CB -0.358 29.651 29.762 0.412 0.000 1.429 878 H HN 0.389 nan 8.280 nan 0.000 0.585 879 P HA 0.033 nan 4.420 nan 0.000 0.276 879 P C 0.068 177.283 177.300 -0.142 0.000 1.244 879 P CA -0.359 62.813 63.100 0.120 0.000 0.801 879 P CB 1.126 32.744 31.700 -0.137 0.000 1.006 880 A N 2.986 125.467 122.820 -0.565 0.000 2.067 880 A HA -0.089 4.239 4.320 0.013 0.000 0.219 880 A C 0.940 178.155 177.584 -0.614 0.000 1.158 880 A CA 1.234 52.900 52.037 -0.619 0.000 0.661 880 A CB -0.583 17.793 19.000 -1.040 0.000 0.801 880 A HN 0.750 nan 8.150 nan 0.000 0.452 881 R N -2.944 117.237 120.500 -0.533 0.000 2.825 881 R HA 0.641 4.989 4.340 0.013 0.000 0.274 881 R C -1.804 174.258 176.300 -0.396 0.000 1.026 881 R CA -0.813 54.991 56.100 -0.494 0.000 0.867 881 R CB 0.481 30.461 30.300 -0.534 0.000 1.268 881 R HN 0.001 nan 8.270 nan 0.000 0.491 882 I N 1.266 121.633 120.570 -0.338 0.000 2.493 882 I HA 0.651 4.829 4.170 0.013 0.000 0.279 882 I C -0.300 175.584 176.117 -0.388 0.000 1.045 882 I CA -0.324 60.789 61.300 -0.312 0.000 1.106 882 I CB 1.887 39.761 38.000 -0.211 0.000 1.216 882 I HN 0.942 nan 8.210 nan 0.000 0.459 883 G N 5.882 114.397 108.800 -0.474 0.000 2.706 883 G HA2 0.765 4.733 3.960 0.013 0.000 0.307 883 G HA3 0.765 4.733 3.960 0.013 0.000 0.307 883 G C -1.672 173.056 174.900 -0.286 0.000 1.307 883 G CA -0.596 44.276 45.100 -0.381 0.000 0.790 883 G HN 0.267 nan 8.290 nan 0.000 0.503 884 L N 0.840 121.954 121.223 -0.182 0.000 2.354 884 L HA 0.653 5.001 4.340 0.013 0.000 0.264 884 L C -0.872 175.900 176.870 -0.163 0.000 1.008 884 L CA -1.162 53.598 54.840 -0.134 0.000 0.819 884 L CB 2.479 44.533 42.059 -0.008 0.000 1.339 884 L HN 0.795 nan 8.230 nan 0.000 0.420 885 N N 0.836 119.466 118.700 -0.116 0.000 2.484 885 N HA 0.688 5.436 4.740 0.013 0.000 0.269 885 N C -1.212 174.311 175.510 0.020 0.000 1.237 885 N CA -0.609 52.412 53.050 -0.048 0.000 0.838 885 N CB 2.184 40.670 38.487 -0.003 0.000 1.593 885 N HN 0.837 nan 8.380 nan 0.000 0.485 886 C N -1.023 118.299 119.300 0.038 0.000 3.312 886 C HA 0.624 5.092 4.460 0.013 0.000 0.332 886 C C -1.178 173.611 174.990 -0.336 0.000 1.340 886 C CA -0.873 58.103 59.018 -0.070 0.000 1.265 886 C CB 1.078 28.807 27.740 -0.019 0.000 1.563 886 C HN 0.879 nan 8.230 nan 0.000 0.471 887 Q N 1.400 120.766 119.800 -0.723 0.000 2.347 887 Q HA 0.674 5.022 4.340 0.013 0.000 0.262 887 Q C -1.145 174.556 176.000 -0.497 0.000 0.980 887 Q CA -0.451 54.697 55.803 -1.092 0.000 0.867 887 Q CB 0.887 28.568 28.738 -1.762 0.000 1.242 887 Q HN 0.769 nan 8.270 nan 0.000 0.453 888 L N 2.894 123.934 121.223 -0.306 0.000 2.371 888 L HA 0.318 4.665 4.340 0.013 0.000 0.272 888 L C 1.208 178.027 176.870 -0.085 0.000 1.124 888 L CA -0.254 54.534 54.840 -0.086 0.000 0.816 888 L CB 0.879 43.002 42.059 0.108 0.000 1.129 888 L HN 0.823 nan 8.230 nan 0.000 0.448 889 A N 2.069 124.860 122.820 -0.048 0.000 2.015 889 A HA -0.122 4.206 4.320 0.013 0.000 0.219 889 A C 1.149 178.730 177.584 -0.006 0.000 1.163 889 A CA 0.638 52.641 52.037 -0.056 0.000 0.646 889 A CB -0.318 18.640 19.000 -0.069 0.000 0.806 889 A HN 0.807 nan 8.150 nan 0.000 0.448 890 Q N -0.078 119.758 119.800 0.061 0.000 2.373 890 Q HA 0.412 4.760 4.340 0.013 0.000 0.255 890 Q C -1.141 174.916 176.000 0.095 0.000 0.980 890 Q CA 0.246 56.078 55.803 0.048 0.000 0.882 890 Q CB 0.891 29.666 28.738 0.062 0.000 1.249 890 Q HN 0.128 nan 8.270 nan 0.000 0.438 891 V N 3.418 123.341 119.914 0.015 0.000 2.419 891 V HA 0.763 4.891 4.120 0.013 0.000 0.287 891 V C -0.608 175.448 176.094 -0.063 0.000 1.017 891 V CA -0.309 62.029 62.300 0.063 0.000 0.844 891 V CB 0.852 32.700 31.823 0.041 0.000 1.011 891 V HN 0.908 nan 8.190 nan 0.000 0.429 892 A N 3.096 125.812 122.820 -0.173 0.000 2.322 892 A HA 0.760 5.088 4.320 0.013 0.000 0.327 892 A C 0.672 178.243 177.584 -0.022 0.000 1.134 892 A CA -0.486 51.380 52.037 -0.285 0.000 0.831 892 A CB 1.279 19.780 19.000 -0.832 0.000 1.288 892 A HN 0.785 nan 8.150 nan 0.000 0.472 893 E N -0.047 120.144 120.200 -0.014 0.000 2.158 893 E HA -0.031 4.327 4.350 0.013 0.000 0.191 893 E C 0.241 176.910 176.600 0.115 0.000 0.982 893 E CA 0.721 57.152 56.400 0.053 0.000 0.823 893 E CB 0.144 29.859 29.700 0.025 0.000 0.766 893 E HN 0.435 nan 8.360 nan 0.000 0.468 894 R N 0.105 120.684 120.500 0.132 0.000 2.919 894 R HA 0.558 4.905 4.340 0.013 0.000 0.260 894 R C -0.807 175.676 176.300 0.306 0.000 1.067 894 R CA -0.868 55.344 56.100 0.187 0.000 1.003 894 R CB 1.783 32.163 30.300 0.133 0.000 1.192 894 R HN -0.175 nan 8.270 nan 0.000 0.488 895 V N 1.656 121.761 119.914 0.319 0.000 2.525 895 V HA 0.347 4.475 4.120 0.013 0.000 0.299 895 V C -0.490 175.883 176.094 0.465 0.000 1.034 895 V CA -0.928 61.601 62.300 0.381 0.000 0.863 895 V CB 1.950 33.935 31.823 0.270 0.000 0.999 895 V HN 0.658 nan 8.190 nan 0.000 0.423 896 N N 4.563 123.513 118.700 0.416 0.000 2.354 896 N HA 0.532 5.280 4.740 0.013 0.000 0.287 896 N C -1.408 174.360 175.510 0.431 0.000 1.016 896 N CA -0.406 52.855 53.050 0.352 0.000 0.871 896 N CB 2.598 41.189 38.487 0.174 0.000 1.299 896 N HN 0.807 nan 8.380 nan 0.000 0.482 897 W N 3.344 124.692 121.300 0.080 0.000 3.107 897 W HA 0.580 5.248 4.660 0.013 0.000 0.331 897 W C -1.990 174.510 176.519 -0.031 0.000 1.204 897 W CA -1.135 56.236 57.345 0.044 0.000 1.184 897 W CB 0.725 30.246 29.460 0.100 0.000 1.421 897 W HN 0.221 nan 8.180 nan 0.000 0.544 898 L N 4.450 125.648 121.223 -0.042 0.000 2.283 898 L HA 0.898 5.245 4.340 0.013 0.000 0.281 898 L C 0.029 176.720 176.870 -0.298 0.000 1.033 898 L CA 0.411 55.044 54.840 -0.344 0.000 0.848 898 L CB 0.493 42.438 42.059 -0.189 0.000 1.226 898 L HN 0.980 nan 8.230 nan 0.000 0.429 899 G N 3.681 112.153 108.800 -0.546 0.000 2.356 899 G HA2 0.211 4.178 3.960 0.013 0.000 0.281 899 G HA3 0.211 4.178 3.960 0.013 0.000 0.281 899 G C -1.607 173.298 174.900 0.009 0.000 1.246 899 G CA -1.027 43.987 45.100 -0.143 0.000 0.889 899 G HN 0.405 nan 8.290 nan 0.000 0.486 900 L N 1.130 122.518 121.223 0.275 0.000 2.367 900 L HA 0.635 4.982 4.340 0.013 0.000 0.275 900 L C 1.046 178.034 176.870 0.197 0.000 1.129 900 L CA 0.637 55.606 54.840 0.214 0.000 0.839 900 L CB 0.561 42.694 42.059 0.123 0.000 1.133 900 L HN 1.220 nan 8.230 nan 0.000 0.453 901 G N 2.870 111.579 108.800 -0.151 0.000 2.348 901 G HA2 0.211 4.178 3.960 0.013 0.000 0.296 901 G HA3 0.211 4.178 3.960 0.013 0.000 0.296 901 G C -2.741 171.390 174.900 -1.281 0.000 1.258 901 G CA -0.250 44.450 45.100 -0.667 0.000 0.868 901 G HN 0.304 nan 8.290 nan 0.000 0.488 902 P HA 0.072 nan 4.420 nan 0.000 0.227 902 P C 0.520 177.626 177.300 -0.323 0.000 1.161 902 P CA 0.676 63.114 63.100 -1.103 0.000 0.788 902 P CB 0.361 31.517 31.700 -0.906 0.000 0.822 903 Q N 0.568 120.176 119.800 -0.320 0.000 2.382 903 Q HA 0.116 4.464 4.340 0.013 0.000 0.229 903 Q C 0.441 176.328 176.000 -0.189 0.000 1.006 903 Q CA -0.514 55.172 55.803 -0.194 0.000 0.916 903 Q CB 0.602 29.248 28.738 -0.153 0.000 1.235 903 Q HN 0.155 nan 8.270 nan 0.000 0.512 904 E N 1.396 121.490 120.200 -0.177 0.000 2.608 904 E HA -0.133 4.225 4.350 0.013 0.000 0.259 904 E C -1.150 175.360 176.600 -0.150 0.000 0.951 904 E CA 0.321 56.603 56.400 -0.196 0.000 0.945 904 E CB 0.211 29.854 29.700 -0.095 0.000 0.916 904 E HN 0.580 nan 8.360 nan 0.000 0.477 905 N N 2.831 121.368 118.700 -0.272 0.000 2.308 905 N HA 0.332 5.080 4.740 0.013 0.000 0.283 905 N C -1.810 173.470 175.510 -0.384 0.000 1.105 905 N CA -0.695 52.247 53.050 -0.180 0.000 0.840 905 N CB 0.767 39.177 38.487 -0.128 0.000 1.633 905 N HN 0.222 nan 8.380 nan 0.000 0.476 906 Y N 0.083 120.297 120.300 -0.142 0.000 2.630 906 Y HA 0.502 5.060 4.550 0.013 0.000 0.337 906 Y C -1.603 174.228 175.900 -0.115 0.000 1.051 906 Y CA -2.089 55.915 58.100 -0.161 0.000 1.121 906 Y CB 1.737 40.099 38.460 -0.163 0.000 1.299 906 Y HN 0.440 nan 8.280 nan 0.000 0.498 907 P HA -0.176 nan 4.420 nan 0.000 0.216 907 P C 0.313 177.518 177.300 -0.158 0.000 1.153 907 P CA 2.108 65.252 63.100 0.072 0.000 0.858 907 P CB 0.185 32.045 31.700 0.266 0.000 0.789 908 D N -2.392 117.696 120.400 -0.520 0.000 2.340 908 D HA 0.006 4.653 4.640 0.013 0.000 0.217 908 D C 0.777 176.929 176.300 -0.246 0.000 1.081 908 D CA 0.134 53.616 54.000 -0.864 0.000 0.842 908 D CB -0.296 39.800 40.800 -1.174 0.000 0.934 908 D HN 0.124 nan 8.370 nan 0.000 0.511 909 R N 1.098 121.552 120.500 -0.078 0.000 2.627 909 R HA 0.200 4.548 4.340 0.013 0.000 0.251 909 R C -0.562 175.770 176.300 0.053 0.000 1.524 909 R CA -0.130 55.987 56.100 0.029 0.000 1.606 909 R CB 0.084 30.408 30.300 0.041 0.000 1.396 909 R HN 0.114 nan 8.270 nan 0.000 0.724 910 L N -1.969 119.292 121.223 0.064 0.000 3.217 910 L HA 0.336 4.684 4.340 0.013 0.000 0.288 910 L C 1.442 178.372 176.870 0.100 0.000 1.202 910 L CA 0.148 55.026 54.840 0.062 0.000 1.027 910 L CB 0.193 42.279 42.059 0.044 0.000 1.427 910 L HN 0.069 nan 8.230 nan 0.000 0.600 911 T N -2.322 112.318 114.554 0.144 0.000 2.833 911 T HA -0.042 4.316 4.350 0.013 0.000 0.269 911 T C 1.778 176.541 174.700 0.105 0.000 1.054 911 T CA 1.399 63.609 62.100 0.184 0.000 1.135 911 T CB -0.370 68.655 68.868 0.262 0.000 0.869 911 T HN 0.397 nan 8.240 nan 0.000 0.466 912 A N 1.535 124.418 122.820 0.106 0.000 2.119 912 A HA 0.657 4.985 4.320 0.013 0.000 0.216 912 A C 1.615 179.294 177.584 0.159 0.000 1.152 912 A CA 0.485 52.534 52.037 0.021 0.000 0.708 912 A CB -0.909 18.247 19.000 0.260 0.000 0.805 912 A HN 0.850 nan 8.150 nan 0.000 0.460 913 A N -0.993 121.866 122.820 0.065 0.000 2.407 913 A HA 0.440 4.768 4.320 0.013 0.000 0.248 913 A C 0.072 177.685 177.584 0.048 0.000 1.082 913 A CA -0.038 51.999 52.037 0.000 0.000 0.785 913 A CB -0.151 18.832 19.000 -0.028 0.000 1.020 913 A HN 0.479 nan 8.150 nan 0.000 0.489 914 C N 0.639 119.963 119.300 0.040 0.000 2.529 914 C HA 0.574 5.042 4.460 0.013 0.000 0.329 914 C C -0.110 174.969 174.990 0.149 0.000 1.194 914 C CA -0.488 58.601 59.018 0.119 0.000 1.779 914 C CB 0.814 28.650 27.740 0.159 0.000 2.322 914 C HN 0.786 nan 8.230 nan 0.000 0.500 915 F N 3.437 123.192 119.950 -0.325 0.000 2.420 915 F HA 0.514 5.049 4.527 0.013 0.000 0.352 915 F C 0.361 175.802 175.800 -0.599 0.000 1.108 915 F CA 1.080 58.744 58.000 -0.560 0.000 1.162 915 F CB 0.085 38.205 39.000 -1.467 0.000 1.118 915 F HN 0.662 nan 8.300 nan 0.000 0.510 916 D N 3.210 122.944 120.400 -1.110 0.000 3.024 916 D HA 0.140 4.788 4.640 0.013 0.000 0.354 916 D C -1.682 173.742 176.300 -1.460 0.000 1.431 916 D CA -0.709 52.577 54.000 -1.191 0.000 0.842 916 D CB 1.342 41.416 40.800 -1.211 0.000 1.437 916 D HN 0.533 nan 8.370 nan 0.000 0.507 917 R N 0.771 120.504 120.500 -1.278 0.000 2.229 917 R HA 0.526 4.873 4.340 0.013 0.000 0.332 917 R C -1.343 174.258 176.300 -1.166 0.000 0.989 917 R CA -0.333 55.162 56.100 -1.008 0.000 0.842 917 R CB 0.336 30.294 30.300 -0.569 0.000 1.119 917 R HN 0.272 nan 8.270 nan 0.000 0.456 918 W N 2.513 123.271 121.300 -0.905 0.000 2.578 918 W HA 0.403 5.071 4.660 0.013 0.000 0.346 918 W C -0.346 175.792 176.519 -0.635 0.000 1.075 918 W CA -0.607 56.170 57.345 -0.947 0.000 1.233 918 W CB 1.614 30.013 29.460 -1.768 0.000 1.358 918 W HN 0.395 nan 8.180 nan 0.000 0.574 919 D N 2.640 123.015 120.400 -0.042 0.000 2.602 919 D HA 0.426 5.074 4.640 0.013 0.000 0.245 919 D C -1.429 174.982 176.300 0.185 0.000 1.325 919 D CA -0.127 53.935 54.000 0.104 0.000 0.952 919 D CB 1.009 41.832 40.800 0.038 0.000 1.317 919 D HN 0.347 nan 8.370 nan 0.000 0.577 920 L N 2.874 124.282 121.223 0.308 0.000 2.303 920 L HA 0.579 4.927 4.340 0.013 0.000 0.256 920 L C -2.319 174.669 176.870 0.196 0.000 1.034 920 L CA -2.200 52.781 54.840 0.236 0.000 0.832 920 L CB 2.732 44.968 42.059 0.295 0.000 1.403 920 L HN 0.190 nan 8.230 nan 0.000 0.419 921 P HA 0.060 nan 4.420 nan 0.000 0.275 921 P C 0.499 177.873 177.300 0.125 0.000 1.228 921 P CA -0.369 62.802 63.100 0.118 0.000 0.786 921 P CB 0.960 32.709 31.700 0.083 0.000 0.927 922 L N 3.518 124.820 121.223 0.131 0.000 2.081 922 L HA -0.262 4.085 4.340 0.013 0.000 0.212 922 L C 2.274 179.183 176.870 0.065 0.000 1.080 922 L CA 2.712 57.615 54.840 0.105 0.000 0.754 922 L CB -1.453 40.683 42.059 0.129 0.000 0.893 922 L HN 0.455 nan 8.230 nan 0.000 0.433 923 S N -1.805 113.937 115.700 0.070 0.000 2.399 923 S HA -0.189 4.288 4.470 0.013 0.000 0.231 923 S C 1.623 176.287 174.600 0.107 0.000 1.022 923 S CA 1.199 59.453 58.200 0.089 0.000 0.983 923 S CB -0.777 62.471 63.200 0.081 0.000 0.803 923 S HN 0.521 nan 8.310 nan 0.000 0.480 924 D N 1.041 121.482 120.400 0.069 0.000 2.371 924 D HA 0.095 4.743 4.640 0.013 0.000 0.221 924 D C 1.153 177.452 176.300 -0.001 0.000 0.986 924 D CA 0.567 54.587 54.000 0.034 0.000 0.899 924 D CB -0.127 40.700 40.800 0.046 0.000 0.902 924 D HN 0.396 nan 8.370 nan 0.000 0.530 925 M N -0.461 119.145 119.600 0.010 0.000 2.494 925 M HA 0.063 4.550 4.480 0.013 0.000 0.232 925 M C -0.094 176.199 176.300 -0.011 0.000 1.137 925 M CA -0.051 55.209 55.300 -0.067 0.000 1.012 925 M CB -0.652 31.895 32.600 -0.088 0.000 1.567 925 M HN -0.039 nan 8.290 nan 0.000 0.486 926 Y N -0.043 120.208 120.300 -0.081 0.000 2.376 926 Y HA 0.494 5.052 4.550 0.013 0.000 0.340 926 Y C -0.767 175.082 175.900 -0.086 0.000 0.965 926 Y CA -0.937 57.135 58.100 -0.046 0.000 1.078 926 Y CB 1.258 39.748 38.460 0.051 0.000 1.193 926 Y HN -0.137 nan 8.280 nan 0.000 0.452 927 T N 9.115 123.202 114.554 -0.779 0.000 2.744 927 T HA 0.285 4.643 4.350 0.013 0.000 0.291 927 T C -2.641 171.260 174.700 -1.333 0.000 0.957 927 T CA -1.461 60.085 62.100 -0.923 0.000 1.002 927 T CB 1.033 69.418 68.868 -0.805 0.000 0.919 927 T HN 0.466 nan 8.240 nan 0.000 0.468 928 P HA 0.148 nan 4.420 nan 0.000 0.220 928 P C -0.670 176.496 177.300 -0.224 0.000 1.806 928 P CA -0.459 62.227 63.100 -0.690 0.000 0.976 928 P CB -0.658 30.801 31.700 -0.401 0.000 1.952 929 Y N -0.201 120.032 120.300 -0.112 0.000 2.712 929 Y HA -0.104 4.454 4.550 0.013 0.000 0.333 929 Y C 2.298 178.250 175.900 0.088 0.000 1.225 929 Y CA -0.440 57.654 58.100 -0.009 0.000 1.499 929 Y CB 0.522 38.902 38.460 -0.133 0.000 1.288 929 Y HN -0.072 nan 8.280 nan 0.000 0.575 930 V N 3.542 123.683 119.914 0.378 0.000 2.282 930 V HA -0.320 3.808 4.120 0.013 0.000 0.249 930 V C 0.598 176.860 176.094 0.279 0.000 1.057 930 V CA 1.501 63.998 62.300 0.328 0.000 1.032 930 V CB -0.559 31.490 31.823 0.378 0.000 0.645 930 V HN 0.598 nan 8.190 nan 0.000 0.447 931 F N 3.486 123.471 119.950 0.059 0.000 2.390 931 F HA 0.503 5.038 4.527 0.013 0.000 0.361 931 F C -2.438 173.359 175.800 -0.005 0.000 1.124 931 F CA -3.465 54.513 58.000 -0.036 0.000 1.149 931 F CB 0.636 39.499 39.000 -0.228 0.000 1.160 931 F HN 0.005 nan 8.300 nan 0.000 0.501 932 P HA 0.315 nan 4.420 nan 0.000 0.275 932 P C -1.105 175.866 177.300 -0.548 0.000 1.228 932 P CA -0.095 62.760 63.100 -0.408 0.000 0.786 932 P CB 1.431 32.947 31.700 -0.307 0.000 0.927 933 S N -0.318 115.257 115.700 -0.208 0.000 2.727 933 S HA 0.466 4.944 4.470 0.013 0.000 0.278 933 S C -0.724 173.860 174.600 -0.028 0.000 1.186 933 S CA -0.925 57.193 58.200 -0.138 0.000 0.836 933 S CB 0.382 63.531 63.200 -0.085 0.000 1.186 933 S HN 0.341 nan 8.310 nan 0.000 0.499 934 E N 1.186 121.384 120.200 -0.004 0.000 2.502 934 E HA 0.370 4.728 4.350 0.013 0.000 0.261 934 E C -0.222 176.429 176.600 0.085 0.000 0.974 934 E CA 0.715 57.144 56.400 0.048 0.000 0.936 934 E CB -0.164 29.586 29.700 0.084 0.000 0.926 934 E HN 0.791 nan 8.360 nan 0.000 0.459 935 N N 1.310 120.099 118.700 0.149 0.000 3.046 935 N HA 0.476 5.224 4.740 0.013 0.000 0.243 935 N C 0.170 175.740 175.510 0.099 0.000 1.452 935 N CA -0.540 52.638 53.050 0.213 0.000 0.882 935 N CB 0.863 39.469 38.487 0.199 0.000 1.425 935 N HN 0.727 nan 8.380 nan 0.000 0.517 936 G N -1.377 107.435 108.800 0.020 0.000 2.184 936 G HA2 -0.266 3.702 3.960 0.013 0.000 0.264 936 G HA3 -0.266 3.702 3.960 0.013 0.000 0.264 936 G C -0.211 174.432 174.900 -0.428 0.000 0.975 936 G CA 0.439 45.429 45.100 -0.183 0.000 0.642 936 G HN 0.687 nan 8.290 nan 0.000 0.536 937 L N 0.055 120.951 121.223 -0.545 0.000 2.483 937 L HA 0.668 5.015 4.340 0.013 0.000 0.275 937 L C 0.714 177.004 176.870 -0.967 0.000 1.220 937 L CA 0.450 54.728 54.840 -0.937 0.000 0.833 937 L CB 0.566 41.713 42.059 -1.520 0.000 1.102 937 L HN 0.262 nan 8.230 nan 0.000 0.490 938 R N 1.978 121.828 120.500 -1.084 0.000 2.532 938 R HA 0.503 4.850 4.340 0.013 0.000 0.297 938 R C -1.047 174.890 176.300 -0.605 0.000 0.984 938 R CA -0.259 55.324 56.100 -0.862 0.000 0.884 938 R CB 1.393 30.979 30.300 -1.191 0.000 1.182 938 R HN 0.702 nan 8.270 nan 0.000 0.442 939 C N 0.280 119.388 119.300 -0.320 0.000 2.547 939 C HA 0.730 5.198 4.460 0.013 0.000 0.411 939 C C 1.241 176.213 174.990 -0.031 0.000 1.424 939 C CA 0.031 58.939 59.018 -0.182 0.000 1.848 939 C CB 1.417 29.072 27.740 -0.142 0.000 2.062 939 C HN 1.019 nan 8.230 nan 0.000 0.504 940 G N 1.647 110.444 108.800 -0.005 0.000 2.341 940 G HA2 -0.187 3.781 3.960 0.013 0.000 0.292 940 G HA3 -0.187 3.781 3.960 0.013 0.000 0.292 940 G C -0.054 174.925 174.900 0.132 0.000 1.021 940 G CA 0.632 45.783 45.100 0.085 0.000 0.905 940 G HN 0.791 nan 8.290 nan 0.000 0.508 941 T N 0.094 114.602 114.554 -0.077 0.000 2.767 941 T HA 0.512 4.870 4.350 0.013 0.000 0.288 941 T C 1.334 175.731 174.700 -0.504 0.000 0.963 941 T CA -0.650 61.340 62.100 -0.184 0.000 1.019 941 T CB 1.358 70.108 68.868 -0.195 0.000 0.923 941 T HN 0.227 nan 8.240 nan 0.000 0.468 942 R N 1.589 122.014 120.500 -0.125 0.000 2.282 942 R HA 0.285 4.633 4.340 0.013 0.000 0.195 942 R C 0.549 176.872 176.300 0.038 0.000 0.909 942 R CA 0.186 56.266 56.100 -0.034 0.000 1.039 942 R CB 0.386 30.795 30.300 0.182 0.000 1.015 942 R HN 0.701 nan 8.270 nan 0.000 0.513 943 E N 0.486 120.716 120.200 0.050 0.000 2.354 943 E HA 0.323 4.680 4.350 0.013 0.000 0.283 943 E C -1.879 174.875 176.600 0.256 0.000 0.938 943 E CA -0.668 55.860 56.400 0.213 0.000 0.777 943 E CB 1.551 31.343 29.700 0.154 0.000 1.222 943 E HN -0.081 nan 8.360 nan 0.000 0.423 944 L N 3.898 125.337 121.223 0.360 0.000 2.410 944 L HA 0.598 4.946 4.340 0.013 0.000 0.270 944 L C -1.827 175.237 176.870 0.323 0.000 0.983 944 L CA -0.404 54.579 54.840 0.239 0.000 0.822 944 L CB 1.817 43.886 42.059 0.018 0.000 1.285 944 L HN 0.490 nan 8.230 nan 0.000 0.409 945 N N 4.326 123.188 118.700 0.270 0.000 2.346 945 N HA 0.414 5.161 4.740 0.013 0.000 0.289 945 N C -2.029 173.700 175.510 0.364 0.000 1.027 945 N CA -0.294 52.910 53.050 0.257 0.000 0.864 945 N CB 2.303 40.889 38.487 0.166 0.000 1.370 945 N HN 0.570 nan 8.380 nan 0.000 0.481 946 Y N 1.100 121.522 120.300 0.204 0.000 2.362 946 Y HA 0.406 4.963 4.550 0.013 0.000 0.326 946 Y C 0.642 176.630 175.900 0.147 0.000 1.083 946 Y CA 0.132 58.352 58.100 0.199 0.000 1.073 946 Y CB 0.771 39.409 38.460 0.295 0.000 1.211 946 Y HN 0.850 nan 8.280 nan 0.000 0.433 947 G N 6.540 115.161 108.800 -0.298 0.000 2.611 947 G HA2 -0.299 3.668 3.960 0.013 0.000 0.301 947 G HA3 -0.299 3.668 3.960 0.013 0.000 0.301 947 G C -1.724 173.053 174.900 -0.205 0.000 1.233 947 G CA 0.185 45.095 45.100 -0.317 0.000 0.993 947 G HN 0.589 nan 8.290 nan 0.000 0.553 948 P HA 0.148 nan 4.420 nan 0.000 0.245 948 P C 0.279 177.409 177.300 -0.284 0.000 1.206 948 P CA 0.666 63.593 63.100 -0.290 0.000 0.781 948 P CB 0.019 31.497 31.700 -0.370 0.000 0.994 949 H N 0.481 119.499 119.070 -0.086 0.000 2.505 949 H HA 0.432 4.996 4.556 0.013 0.000 0.351 949 H C -0.001 175.085 175.328 -0.403 0.000 1.151 949 H CA 0.178 56.070 56.048 -0.259 0.000 1.339 949 H CB 1.295 30.747 29.762 -0.517 0.000 1.483 949 H HN 0.091 nan 8.280 nan 0.000 0.558 950 Q N 2.055 121.614 119.800 -0.402 0.000 2.305 950 Q HA 0.241 4.588 4.340 0.013 0.000 0.271 950 Q C -1.641 174.096 176.000 -0.438 0.000 1.046 950 Q CA -0.674 54.969 55.803 -0.267 0.000 0.798 950 Q CB 2.054 30.776 28.738 -0.027 0.000 1.286 950 Q HN 0.578 nan 8.270 nan 0.000 0.435 951 W N 3.906 125.174 121.300 -0.054 0.000 2.739 951 W HA 0.557 5.225 4.660 0.013 0.000 0.331 951 W C -0.303 176.321 176.519 0.174 0.000 1.049 951 W CA -0.688 56.598 57.345 -0.099 0.000 1.234 951 W CB 1.963 31.150 29.460 -0.456 0.000 1.404 951 W HN 0.518 nan 8.180 nan 0.000 0.477 952 R N 0.770 121.524 120.500 0.423 0.000 2.740 952 R HA 0.822 5.169 4.340 0.013 0.000 0.282 952 R C 0.262 176.854 176.300 0.487 0.000 0.969 952 R CA -0.424 55.934 56.100 0.429 0.000 0.918 952 R CB 2.403 32.861 30.300 0.262 0.000 1.175 952 R HN 0.729 nan 8.270 nan 0.000 0.464 953 G N 0.580 109.648 108.800 0.446 0.000 2.564 953 G HA2 0.027 3.995 3.960 0.013 0.000 0.139 953 G HA3 0.027 3.995 3.960 0.013 0.000 0.139 953 G C -1.766 173.268 174.900 0.223 0.000 1.147 953 G CA -0.368 44.969 45.100 0.395 0.000 1.031 953 G HN 0.494 nan 8.290 nan 0.000 0.482 954 D N -0.001 120.540 120.400 0.235 0.000 2.411 954 D HA 0.571 5.218 4.640 0.013 0.000 0.239 954 D C -0.724 175.597 176.300 0.036 0.000 1.307 954 D CA -0.451 53.568 54.000 0.031 0.000 0.930 954 D CB 0.142 40.987 40.800 0.075 0.000 1.395 954 D HN 0.542 nan 8.370 nan 0.000 0.536 955 F N -0.241 119.714 119.950 0.009 0.000 2.706 955 F HA 0.748 5.282 4.527 0.013 0.000 0.328 955 F C -0.910 174.856 175.800 -0.056 0.000 1.123 955 F CA -1.011 56.934 58.000 -0.091 0.000 0.978 955 F CB 0.744 39.695 39.000 -0.083 0.000 1.404 955 F HN -0.166 nan 8.300 nan 0.000 0.497 956 Q N 1.511 121.403 119.800 0.153 0.000 2.348 956 Q HA 0.648 4.996 4.340 0.013 0.000 0.271 956 Q C -1.279 174.814 176.000 0.154 0.000 1.067 956 Q CA -0.538 55.271 55.803 0.011 0.000 0.839 956 Q CB 2.696 31.325 28.738 -0.183 0.000 1.354 956 Q HN 0.873 nan 8.270 nan 0.000 0.447 957 F N -1.157 118.697 119.950 -0.161 0.000 2.686 957 F HA 0.738 5.273 4.527 0.013 0.000 0.311 957 F C -1.574 174.016 175.800 -0.350 0.000 1.128 957 F CA -1.106 56.748 58.000 -0.244 0.000 0.946 957 F CB 1.566 40.437 39.000 -0.214 0.000 1.336 957 F HN 0.571 nan 8.300 nan 0.000 0.457 958 N N 1.677 120.206 118.700 -0.284 0.000 2.284 958 N HA 0.742 5.490 4.740 0.013 0.000 0.289 958 N C -2.077 173.378 175.510 -0.090 0.000 1.179 958 N CA -0.735 52.135 53.050 -0.301 0.000 0.774 958 N CB 2.662 40.980 38.487 -0.282 0.000 1.548 958 N HN 1.122 nan 8.380 nan 0.000 0.473 959 I N 0.485 120.992 120.570 -0.106 0.000 2.680 959 I HA 0.672 4.849 4.170 0.013 0.000 0.291 959 I C -1.449 174.585 176.117 -0.138 0.000 1.244 959 I CA 0.043 61.254 61.300 -0.148 0.000 1.042 959 I CB 1.398 39.248 38.000 -0.249 0.000 1.277 959 I HN 1.068 nan 8.210 nan 0.000 0.423 960 S N 6.149 121.776 115.700 -0.122 0.000 2.656 960 S HA 0.483 4.960 4.470 0.013 0.000 0.265 960 S C -0.365 174.116 174.600 -0.199 0.000 1.132 960 S CA -0.998 57.109 58.200 -0.155 0.000 0.819 960 S CB 1.569 64.724 63.200 -0.074 0.000 1.119 960 S HN 0.635 nan 8.310 nan 0.000 0.476 961 R N 0.063 120.274 120.500 -0.482 0.000 2.363 961 R HA 0.246 4.594 4.340 0.013 0.000 0.236 961 R C -0.895 175.074 176.300 -0.551 0.000 0.966 961 R CA 0.278 56.090 56.100 -0.480 0.000 1.100 961 R CB -1.001 28.934 30.300 -0.607 0.000 1.125 961 R HN 0.654 nan 8.270 nan 0.000 0.514 962 Y N 0.252 120.523 120.300 -0.047 0.000 2.338 962 Y HA 0.177 4.734 4.550 0.013 0.000 0.333 962 Y C 0.678 176.388 175.900 -0.316 0.000 0.968 962 Y CA -1.106 56.882 58.100 -0.188 0.000 1.123 962 Y CB 1.544 39.843 38.460 -0.269 0.000 1.165 962 Y HN -0.067 nan 8.280 nan 0.000 0.452 963 S N 1.570 116.973 115.700 -0.494 0.000 2.600 963 S HA 0.056 4.534 4.470 0.013 0.000 0.265 963 S C 0.920 175.175 174.600 -0.575 0.000 1.325 963 S CA -0.766 56.739 58.200 -1.159 0.000 1.002 963 S CB 1.193 63.510 63.200 -1.471 0.000 0.921 963 S HN 0.715 nan 8.310 nan 0.000 0.554 964 Q N 0.671 120.142 119.800 -0.548 0.000 2.135 964 Q HA -0.210 4.138 4.340 0.013 0.000 0.204 964 Q C 2.230 178.079 176.000 -0.252 0.000 0.981 964 Q CA 1.912 57.540 55.803 -0.291 0.000 0.856 964 Q CB -0.601 28.000 28.738 -0.229 0.000 0.902 964 Q HN 0.960 nan 8.270 nan 0.000 0.425 965 Q N 0.530 120.141 119.800 -0.315 0.000 2.061 965 Q HA -0.233 4.114 4.340 0.013 0.000 0.204 965 Q C 2.158 178.047 176.000 -0.185 0.000 0.984 965 Q CA 1.671 57.349 55.803 -0.208 0.000 0.846 965 Q CB -0.001 28.624 28.738 -0.189 0.000 0.902 965 Q HN 0.412 nan 8.270 nan 0.000 0.421 966 Q N 0.061 119.726 119.800 -0.224 0.000 2.030 966 Q HA -0.192 4.156 4.340 0.013 0.000 0.204 966 Q C 2.261 178.139 176.000 -0.204 0.000 0.986 966 Q CA 1.569 57.258 55.803 -0.190 0.000 0.843 966 Q CB -0.163 28.440 28.738 -0.226 0.000 0.904 966 Q HN 0.489 nan 8.270 nan 0.000 0.420 967 L N 0.639 121.731 121.223 -0.218 0.000 2.043 967 L HA -0.251 4.097 4.340 0.013 0.000 0.212 967 L C 2.776 179.511 176.870 -0.226 0.000 1.075 967 L CA 1.721 56.427 54.840 -0.224 0.000 0.752 967 L CB -0.561 41.400 42.059 -0.164 0.000 0.891 967 L HN 0.516 nan 8.230 nan 0.000 0.432 968 M N -1.317 118.178 119.600 -0.175 0.000 2.394 968 M HA -0.131 4.357 4.480 0.013 0.000 0.264 968 M C 1.422 177.646 176.300 -0.126 0.000 1.073 968 M CA 1.708 56.918 55.300 -0.149 0.000 1.111 968 M CB -0.220 32.306 32.600 -0.124 0.000 1.401 968 M HN 0.151 nan 8.290 nan 0.000 0.448 969 E N 0.624 120.751 120.200 -0.121 0.000 2.472 969 E HA 0.118 4.476 4.350 0.013 0.000 0.196 969 E C -0.292 176.266 176.600 -0.069 0.000 1.033 969 E CA 0.078 56.432 56.400 -0.076 0.000 0.886 969 E CB 0.640 30.302 29.700 -0.064 0.000 0.944 969 E HN 0.416 nan 8.360 nan 0.000 0.492 970 T N 0.274 114.753 114.554 -0.126 0.000 2.829 970 T HA 0.106 4.464 4.350 0.013 0.000 0.282 970 T C 1.029 175.662 174.700 -0.113 0.000 0.990 970 T CA -0.393 61.637 62.100 -0.117 0.000 1.028 970 T CB 1.651 70.410 68.868 -0.180 0.000 0.951 970 T HN 0.020 nan 8.240 nan 0.000 0.460 971 S N 1.488 117.224 115.700 0.059 0.000 2.517 971 S HA 0.144 4.622 4.470 0.013 0.000 0.214 971 S C 0.157 174.895 174.600 0.229 0.000 0.991 971 S CA 0.002 58.344 58.200 0.237 0.000 0.906 971 S CB -0.125 63.363 63.200 0.481 0.000 0.789 971 S HN 0.722 nan 8.310 nan 0.000 0.513 972 H N 0.745 119.821 119.070 0.010 0.000 2.771 972 H HA 0.498 5.062 4.556 0.013 0.000 0.361 972 H C 0.887 176.177 175.328 -0.063 0.000 1.108 972 H CA -0.822 55.277 56.048 0.084 0.000 1.201 972 H CB 1.489 31.283 29.762 0.053 0.000 1.681 972 H HN 0.112 nan 8.280 nan 0.000 0.534 973 R N 1.677 122.274 120.500 0.162 0.000 2.127 973 R HA -0.175 4.173 4.340 0.013 0.000 0.238 973 R C 1.314 177.614 176.300 0.001 0.000 1.134 973 R CA 1.878 58.009 56.100 0.053 0.000 0.975 973 R CB -0.491 29.888 30.300 0.132 0.000 0.865 973 R HN 0.778 nan 8.270 nan 0.000 0.447 974 H N 1.339 120.425 119.070 0.026 0.000 2.489 974 H HA -0.008 4.556 4.556 0.013 0.000 0.293 974 H C 1.490 176.741 175.328 -0.129 0.000 1.066 974 H CA 0.953 56.971 56.048 -0.050 0.000 1.305 974 H CB -0.178 29.554 29.762 -0.050 0.000 1.386 974 H HN 0.317 nan 8.280 nan 0.000 0.551 975 L N 1.038 121.873 121.223 -0.647 0.000 2.592 975 L HA 0.207 4.555 4.340 0.013 0.000 0.227 975 L C 0.644 177.373 176.870 -0.235 0.000 1.127 975 L CA -0.179 54.378 54.840 -0.472 0.000 0.884 975 L CB 0.038 41.779 42.059 -0.530 0.000 1.065 975 L HN 0.050 nan 8.230 nan 0.000 0.457 976 L N 0.837 121.904 121.223 -0.260 0.000 2.452 976 L HA 0.133 4.481 4.340 0.013 0.000 0.267 976 L C 0.249 177.046 176.870 -0.122 0.000 1.188 976 L CA -0.071 54.567 54.840 -0.336 0.000 0.821 976 L CB 0.359 41.960 42.059 -0.763 0.000 1.102 976 L HN 0.205 nan 8.230 nan 0.000 0.470 977 H N 1.546 120.615 119.070 -0.001 0.000 2.667 977 H HA 0.584 5.147 4.556 0.013 0.000 0.353 977 H C -0.753 174.713 175.328 0.230 0.000 1.072 977 H CA -1.189 54.917 56.048 0.096 0.000 1.214 977 H CB 1.188 30.963 29.762 0.022 0.000 1.600 977 H HN 0.692 nan 8.280 nan 0.000 0.527 978 A N 3.728 126.671 122.820 0.205 0.000 2.531 978 A HA 0.083 4.410 4.320 0.013 0.000 0.236 978 A C 0.355 177.987 177.584 0.080 0.000 1.062 978 A CA -0.073 51.951 52.037 -0.022 0.000 0.760 978 A CB 0.073 19.022 19.000 -0.086 0.000 0.995 978 A HN 0.864 nan 8.150 nan 0.000 0.501 979 E N 0.894 121.116 120.200 0.036 0.000 2.330 979 E HA 0.246 4.604 4.350 0.013 0.000 0.256 979 E C -0.352 176.292 176.600 0.073 0.000 1.146 979 E CA -0.741 55.752 56.400 0.156 0.000 0.945 979 E CB 0.658 30.523 29.700 0.275 0.000 1.182 979 E HN 0.760 nan 8.360 nan 0.000 0.480 980 E N 0.251 120.490 120.200 0.065 0.000 2.392 980 E HA 0.229 4.587 4.350 0.013 0.000 0.264 980 E C 0.268 176.829 176.600 -0.065 0.000 1.024 980 E CA 0.485 56.884 56.400 -0.001 0.000 0.903 980 E CB 0.590 30.284 29.700 -0.009 0.000 0.963 980 E HN 0.681 nan 8.360 nan 0.000 0.432 981 G N 2.432 111.195 108.800 -0.061 0.000 2.752 981 G HA2 -0.232 3.735 3.960 0.013 0.000 0.234 981 G HA3 -0.232 3.735 3.960 0.013 0.000 0.234 981 G C -0.558 174.273 174.900 -0.115 0.000 1.367 981 G CA -0.333 44.710 45.100 -0.095 0.000 0.879 981 G HN 0.523 nan 8.290 nan 0.000 0.563 982 T N 0.290 114.761 114.554 -0.138 0.000 2.812 982 T HA 0.505 4.863 4.350 0.013 0.000 0.282 982 T C -0.609 173.944 174.700 -0.244 0.000 0.990 982 T CA -0.156 61.868 62.100 -0.127 0.000 0.960 982 T CB 1.293 70.154 68.868 -0.012 0.000 0.948 982 T HN 0.556 nan 8.240 nan 0.000 0.438 983 W N 3.225 124.435 121.300 -0.150 0.000 2.322 983 W HA 0.563 5.231 4.660 0.013 0.000 0.307 983 W C -0.222 176.172 176.519 -0.209 0.000 1.220 983 W CA -0.713 56.543 57.345 -0.149 0.000 1.210 983 W CB 0.683 30.065 29.460 -0.129 0.000 1.223 983 W HN 0.386 nan 8.180 nan 0.000 0.511 984 L N 5.799 127.004 121.223 -0.030 0.000 2.305 984 L HA 0.498 4.845 4.340 0.013 0.000 0.284 984 L C -0.897 175.875 176.870 -0.162 0.000 1.013 984 L CA -0.433 54.279 54.840 -0.214 0.000 0.819 984 L CB 0.647 42.429 42.059 -0.463 0.000 1.227 984 L HN 0.306 nan 8.230 nan 0.000 0.417 985 N N 7.076 125.677 118.700 -0.166 0.000 2.446 985 N HA 0.454 5.201 4.740 0.013 0.000 0.265 985 N C -1.126 174.247 175.510 -0.230 0.000 0.975 985 N CA -0.216 52.736 53.050 -0.163 0.000 0.928 985 N CB 2.135 40.552 38.487 -0.116 0.000 1.160 985 N HN 0.573 nan 8.380 nan 0.000 0.495 986 I N 2.026 122.413 120.570 -0.306 0.000 2.382 986 I HA 0.223 4.401 4.170 0.013 0.000 0.285 986 I C -0.588 175.353 176.117 -0.293 0.000 1.007 986 I CA -0.628 60.445 61.300 -0.377 0.000 1.142 986 I CB 1.338 38.923 38.000 -0.691 0.000 1.289 986 I HN 0.147 nan 8.210 nan 0.000 0.453 987 D N 4.720 124.984 120.400 -0.227 0.000 2.168 987 D HA 0.254 4.902 4.640 0.013 0.000 0.246 987 D C 1.038 177.057 176.300 -0.468 0.000 1.050 987 D CA -0.246 53.562 54.000 -0.321 0.000 0.857 987 D CB 2.552 43.251 40.800 -0.168 0.000 1.169 987 D HN 0.674 nan 8.370 nan 0.000 0.453 988 G N 1.155 109.384 108.800 -0.952 0.000 2.403 988 G HA2 -0.038 3.929 3.960 0.013 0.000 0.216 988 G HA3 -0.038 3.929 3.960 0.013 0.000 0.216 988 G C 0.105 174.220 174.900 -1.308 0.000 1.154 988 G CA 0.550 44.946 45.100 -1.174 0.000 0.784 988 G HN 0.382 nan 8.290 nan 0.000 0.538 989 F N -1.838 117.898 119.950 -0.357 0.000 2.591 989 F HA 0.586 5.121 4.527 0.013 0.000 0.309 989 F C -0.534 175.159 175.800 -0.178 0.000 1.098 989 F CA -1.134 56.728 58.000 -0.229 0.000 0.937 989 F CB 2.169 40.927 39.000 -0.402 0.000 1.250 989 F HN 0.046 nan 8.300 nan 0.000 0.447 990 H N 2.288 121.349 119.070 -0.016 0.000 2.865 990 H HA 0.533 5.097 4.556 0.013 0.000 0.362 990 H C -0.756 174.595 175.328 0.038 0.000 1.114 990 H CA -0.897 55.129 56.048 -0.035 0.000 1.208 990 H CB 1.832 31.562 29.762 -0.054 0.000 1.727 990 H HN 0.783 nan 8.280 nan 0.000 0.534 991 M N 3.384 122.944 119.600 -0.065 0.000 2.232 991 M HA 0.300 4.788 4.480 0.013 0.000 0.321 991 M C 0.395 176.800 176.300 0.176 0.000 1.101 991 M CA 0.367 55.690 55.300 0.038 0.000 1.181 991 M CB 0.408 32.936 32.600 -0.120 0.000 1.432 991 M HN 0.804 nan 8.290 nan 0.000 0.457 992 G N 2.154 111.037 108.800 0.139 0.000 2.634 992 G HA2 0.348 4.316 3.960 0.013 0.000 0.255 992 G HA3 0.348 4.316 3.960 0.013 0.000 0.255 992 G C 0.550 175.429 174.900 -0.035 0.000 1.205 992 G CA -0.437 44.681 45.100 0.031 0.000 0.884 992 G HN 0.972 nan 8.290 nan 0.000 0.549 993 I N -1.963 118.541 120.570 -0.110 0.000 3.645 993 I HA 0.399 4.577 4.170 0.013 0.000 0.300 993 I C 1.245 177.294 176.117 -0.112 0.000 1.260 993 I CA 0.453 61.651 61.300 -0.170 0.000 1.365 993 I CB -0.534 37.271 38.000 -0.324 0.000 1.077 993 I HN 0.906 nan 8.210 nan 0.000 0.439 994 G N 1.709 110.463 108.800 -0.077 0.000 2.601 994 G HA2 -0.010 3.958 3.960 0.013 0.000 0.261 994 G HA3 -0.010 3.958 3.960 0.013 0.000 0.261 994 G C 0.627 175.528 174.900 0.002 0.000 1.289 994 G CA 0.269 45.362 45.100 -0.012 0.000 0.920 994 G HN 1.409 nan 8.290 nan 0.000 0.571 995 G N -2.506 106.312 108.800 0.030 0.000 2.370 995 G HA2 -0.017 3.951 3.960 0.013 0.000 0.174 995 G HA3 -0.017 3.951 3.960 0.013 0.000 0.174 995 G C 0.678 175.643 174.900 0.107 0.000 1.002 995 G CA 0.925 46.058 45.100 0.054 0.000 0.730 995 G HN 0.972 nan 8.290 nan 0.000 0.497 996 D N 1.255 121.734 120.400 0.132 0.000 2.190 996 D HA 0.080 4.727 4.640 0.013 0.000 0.200 996 D C 1.038 177.375 176.300 0.063 0.000 0.992 996 D CA 2.092 56.228 54.000 0.227 0.000 0.854 996 D CB 0.118 41.052 40.800 0.224 0.000 0.936 996 D HN 0.834 nan 8.370 nan 0.000 0.462 997 D N -3.436 116.805 120.400 -0.266 0.000 2.643 997 D HA 0.342 4.990 4.640 0.013 0.000 0.283 997 D C -0.826 175.027 176.300 -0.746 0.000 1.242 997 D CA -0.747 52.683 54.000 -0.950 0.000 0.863 997 D CB 0.928 40.529 40.800 -1.997 0.000 1.382 997 D HN -0.305 nan 8.370 nan 0.000 0.444 998 S N -0.554 114.574 115.700 -0.954 0.000 2.711 998 S HA 0.251 4.729 4.470 0.013 0.000 0.247 998 S C -0.660 174.089 174.600 0.249 0.000 1.079 998 S CA -0.687 57.461 58.200 -0.086 0.000 1.050 998 S CB -0.518 62.832 63.200 0.249 0.000 0.885 998 S HN 0.632 nan 8.310 nan 0.000 0.498 999 W N 0.721 121.971 121.300 -0.083 0.000 2.079 999 W HA 0.507 5.175 4.660 0.012 0.000 0.285 999 W C -0.074 176.404 176.519 -0.069 0.000 0.891 999 W CA -0.456 56.841 57.345 -0.080 0.000 1.308 999 W CB -0.412 28.932 29.460 -0.194 0.000 1.047 999 W HN 0.175 nan 8.180 nan 0.000 0.522 1000 S N -0.907 114.721 115.700 -0.119 0.000 2.550 1000 S HA 0.599 5.077 4.470 0.013 0.000 0.270 1000 S C -3.101 171.452 174.600 -0.077 0.000 1.145 1000 S CA -1.657 56.496 58.200 -0.078 0.000 0.852 1000 S CB 1.769 64.927 63.200 -0.069 0.000 1.119 1000 S HN -0.224 nan 8.310 nan 0.000 0.465 1001 P HA 0.146 nan 4.420 nan 0.000 0.261 1001 P C 0.414 177.772 177.300 0.098 0.000 1.183 1001 P CA 0.088 63.218 63.100 0.051 0.000 0.761 1001 P CB 0.514 32.121 31.700 -0.155 0.000 0.785 1002 S N 0.838 116.629 115.700 0.152 0.000 2.701 1002 S HA 0.144 4.622 4.470 0.013 0.000 0.242 1002 S C 0.205 174.892 174.600 0.145 0.000 1.025 1002 S CA -0.335 57.923 58.200 0.097 0.000 1.016 1002 S CB -0.246 62.963 63.200 0.015 0.000 0.977 1002 S HN 0.106 nan 8.310 nan 0.000 0.546 1003 V N 2.812 122.856 119.914 0.217 0.000 2.455 1003 V HA 0.368 4.496 4.120 0.013 0.000 0.273 1003 V C 0.810 177.057 176.094 0.256 0.000 1.045 1003 V CA -0.401 62.013 62.300 0.191 0.000 0.976 1003 V CB 0.890 32.771 31.823 0.097 0.000 0.993 1003 V HN 0.497 nan 8.190 nan 0.000 0.475 1004 S N 4.055 119.917 115.700 0.269 0.000 2.552 1004 S HA 0.235 4.713 4.470 0.013 0.000 0.289 1004 S C 1.599 176.345 174.600 0.244 0.000 1.304 1004 S CA 0.071 58.428 58.200 0.263 0.000 1.063 1004 S CB 0.932 64.322 63.200 0.316 0.000 0.848 1004 S HN 1.035 nan 8.310 nan 0.000 0.499 1005 A N 4.213 127.131 122.820 0.163 0.000 1.958 1005 A HA -0.188 4.139 4.320 0.013 0.000 0.221 1005 A C 2.029 179.650 177.584 0.061 0.000 1.178 1005 A CA 2.009 54.127 52.037 0.134 0.000 0.642 1005 A CB -0.676 18.380 19.000 0.094 0.000 0.816 1005 A HN 0.976 nan 8.150 nan 0.000 0.453 1006 E N -1.117 119.057 120.200 -0.043 0.000 2.409 1006 E HA -0.115 4.243 4.350 0.013 0.000 0.198 1006 E C 0.586 176.937 176.600 -0.416 0.000 1.024 1006 E CA 0.750 56.993 56.400 -0.262 0.000 0.861 1006 E CB -0.395 29.041 29.700 -0.439 0.000 0.788 1006 E HN 0.697 nan 8.360 nan 0.000 0.521 1007 F N 1.115 121.117 119.950 0.086 0.000 2.698 1007 F HA 0.282 4.817 4.527 0.013 0.000 0.304 1007 F C 0.690 176.530 175.800 0.066 0.000 1.108 1007 F CA -0.570 57.481 58.000 0.085 0.000 1.263 1007 F CB 0.643 39.692 39.000 0.083 0.000 1.013 1007 F HN -0.202 nan 8.300 nan 0.000 0.532 1008 Q N 1.293 121.205 119.800 0.187 0.000 2.230 1008 Q HA 0.426 4.774 4.340 0.013 0.000 0.253 1008 Q C -0.226 175.812 176.000 0.063 0.000 0.919 1008 Q CA -0.551 55.338 55.803 0.143 0.000 0.908 1008 Q CB 2.090 30.986 28.738 0.264 0.000 1.245 1008 Q HN 0.255 nan 8.270 nan 0.000 0.437 1009 L N 2.552 123.800 121.223 0.041 0.000 2.387 1009 L HA 0.126 4.473 4.340 0.013 0.000 0.267 1009 L C 0.519 177.373 176.870 -0.026 0.000 1.197 1009 L CA -0.036 54.823 54.840 0.032 0.000 1.070 1009 L CB -0.243 41.734 42.059 -0.137 0.000 1.349 1009 L HN 0.692 nan 8.230 nan 0.000 0.422 1010 S N -1.090 114.498 115.700 -0.185 0.000 2.602 1010 S HA 0.175 4.653 4.470 0.013 0.000 0.240 1010 S C 1.518 176.023 174.600 -0.159 0.000 0.992 1010 S CA 0.137 58.026 58.200 -0.519 0.000 0.971 1010 S CB 0.849 63.560 63.200 -0.815 0.000 0.855 1010 S HN 0.511 nan 8.310 nan 0.000 0.481 1011 A N 1.496 124.263 122.820 -0.088 0.000 2.121 1011 A HA 0.443 4.770 4.320 0.013 0.000 0.218 1011 A C 2.130 179.529 177.584 -0.309 0.000 1.154 1011 A CA 1.255 53.095 52.037 -0.328 0.000 0.679 1011 A CB -1.268 17.296 19.000 -0.726 0.000 0.795 1011 A HN 1.509 nan 8.150 nan 0.000 0.458 1012 G N -1.252 107.466 108.800 -0.137 0.000 2.708 1012 G HA2 -0.314 3.653 3.960 0.013 0.000 0.229 1012 G HA3 -0.314 3.653 3.960 0.013 0.000 0.229 1012 G C 0.478 175.341 174.900 -0.062 0.000 1.236 1012 G CA 0.525 45.604 45.100 -0.034 0.000 0.749 1012 G HN 0.694 nan 8.290 nan 0.000 0.515 1013 R N -0.401 119.938 120.500 -0.269 0.000 2.513 1013 R HA 0.689 5.037 4.340 0.013 0.000 0.301 1013 R C -1.448 174.579 176.300 -0.454 0.000 0.968 1013 R CA -0.561 55.431 56.100 -0.181 0.000 0.872 1013 R CB 1.449 31.695 30.300 -0.089 0.000 1.177 1013 R HN 0.281 nan 8.270 nan 0.000 0.444 1014 Y N 0.310 120.586 120.300 -0.040 0.000 2.512 1014 Y HA 0.366 4.924 4.550 0.013 0.000 0.348 1014 Y C -0.435 175.582 175.900 0.195 0.000 0.990 1014 Y CA -0.832 57.190 58.100 -0.131 0.000 1.033 1014 Y CB 2.286 40.516 38.460 -0.383 0.000 1.259 1014 Y HN 0.576 nan 8.280 nan 0.000 0.461 1015 H N 2.749 122.070 119.070 0.418 0.000 2.759 1015 H HA 0.554 5.117 4.556 0.013 0.000 0.354 1015 H C -1.764 173.961 175.328 0.662 0.000 1.074 1015 H CA -0.836 55.468 56.048 0.427 0.000 1.226 1015 H CB 1.058 30.966 29.762 0.245 0.000 1.648 1015 H HN 0.588 nan 8.280 nan 0.000 0.529 1016 Y N 1.878 121.975 120.300 -0.339 0.000 2.625 1016 Y HA 0.499 5.057 4.550 0.013 0.000 0.338 1016 Y C -1.782 173.932 175.900 -0.311 0.000 1.123 1016 Y CA -1.163 56.841 58.100 -0.161 0.000 1.046 1016 Y CB 1.534 40.013 38.460 0.031 0.000 1.299 1016 Y HN 0.753 nan 8.280 nan 0.000 0.464 1017 Q N 2.360 122.172 119.800 0.020 0.000 2.377 1017 Q HA 0.775 5.123 4.340 0.013 0.000 0.279 1017 Q C -2.333 173.752 176.000 0.142 0.000 1.049 1017 Q CA -1.035 54.753 55.803 -0.025 0.000 0.825 1017 Q CB 3.177 31.933 28.738 0.030 0.000 1.401 1017 Q HN 0.904 nan 8.270 nan 0.000 0.404 1018 L N 1.026 122.318 121.223 0.114 0.000 2.424 1018 L HA 0.752 5.100 4.340 0.013 0.000 0.258 1018 L C -0.968 176.027 176.870 0.208 0.000 0.995 1018 L CA -1.321 53.634 54.840 0.191 0.000 0.821 1018 L CB 2.556 44.711 42.059 0.160 0.000 1.383 1018 L HN 0.484 nan 8.230 nan 0.000 0.410 1019 V N 0.745 120.808 119.914 0.247 0.000 2.444 1019 V HA 0.393 4.521 4.120 0.013 0.000 0.294 1019 V C -1.203 175.070 176.094 0.299 0.000 1.022 1019 V CA -0.364 62.087 62.300 0.251 0.000 0.850 1019 V CB 2.063 34.005 31.823 0.200 0.000 0.992 1019 V HN 0.622 nan 8.190 nan 0.000 0.426 1020 W N 7.145 128.509 121.300 0.107 0.000 2.429 1020 W HA 0.717 5.385 4.660 0.013 0.000 0.314 1020 W C -0.207 176.304 176.519 -0.013 0.000 1.062 1020 W CA -1.169 56.144 57.345 -0.054 0.000 1.211 1020 W CB 1.385 30.874 29.460 0.049 0.000 1.305 1020 W HN 0.863 nan 8.180 nan 0.000 0.476 1021 C N 4.357 123.899 119.300 0.405 0.000 3.340 1021 C HA 0.671 5.139 4.460 0.013 0.000 0.333 1021 C C -0.407 174.703 174.990 0.200 0.000 1.464 1021 C CA -0.772 58.412 59.018 0.277 0.000 1.337 1021 C CB 1.797 29.648 27.740 0.184 0.000 1.740 1021 C HN 0.723 nan 8.230 nan 0.000 0.450 1022 Q N 0.964 120.835 119.800 0.118 0.000 2.286 1022 Q HA 0.836 5.184 4.340 0.013 0.000 0.250 1022 Q C -1.119 174.885 176.000 0.007 0.000 1.021 1022 Q CA -0.253 55.570 55.803 0.033 0.000 0.930 1022 Q CB 2.044 30.772 28.738 -0.017 0.000 1.266 1022 Q HN 0.960 nan 8.270 nan 0.000 0.491 1023 K N 0.000 120.380 120.400 -0.033 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.271 56.287 -0.027 0.000 0.838 1023 K CB 0.000 32.497 32.500 -0.006 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543