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 1px3_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE 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 IAVSEXXXXD 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 0.000 176.085 176.300 -0.359 0.000 0.893 13 R CA 0.000 55.965 56.100 -0.224 0.000 0.921 13 R CB 0.000 30.178 30.300 -0.204 0.000 0.687 14 R N 1.804 121.962 120.500 -0.570 0.000 3.301 14 R HA -0.181 4.175 4.340 0.027 0.000 0.249 14 R C -0.289 175.428 176.300 -0.972 0.000 0.964 14 R CA 0.800 56.146 56.100 -1.256 0.000 0.653 14 R CB -1.210 28.586 30.300 -0.840 0.000 1.043 14 R HN 0.308 nan 8.270 nan 0.000 0.454 15 D N -0.226 119.796 120.400 -0.629 0.000 2.228 15 D HA -0.198 4.458 4.640 0.027 0.000 0.203 15 D C 1.595 177.770 176.300 -0.209 0.000 0.988 15 D CA 1.774 55.504 54.000 -0.450 0.000 0.864 15 D CB -0.176 40.169 40.800 -0.759 0.000 0.928 15 D HN 0.732 nan 8.370 nan 0.000 0.469 16 W N 1.287 122.601 121.300 0.022 0.000 3.077 16 W HA 0.153 4.829 4.660 0.027 0.000 0.245 16 W C 0.417 177.036 176.519 0.165 0.000 1.316 16 W CA -0.183 57.279 57.345 0.194 0.000 1.537 16 W CB -0.280 29.341 29.460 0.268 0.000 1.131 16 W HN -0.174 nan 8.180 nan 0.000 0.695 17 E N 1.256 121.313 120.200 -0.238 0.000 3.385 17 E HA 0.066 4.433 4.350 0.027 0.000 0.206 17 E C -0.771 175.699 176.600 -0.216 0.000 0.997 17 E CA -0.241 56.076 56.400 -0.138 0.000 1.278 17 E CB -0.217 29.418 29.700 -0.109 0.000 1.165 17 E HN 0.054 nan 8.360 nan 0.000 0.452 18 N N 0.988 119.582 118.700 -0.177 0.000 2.812 18 N HA 0.098 4.854 4.740 0.027 0.000 0.262 18 N C -2.415 172.950 175.510 -0.241 0.000 1.241 18 N CA -1.697 51.207 53.050 -0.243 0.000 0.854 18 N CB 1.378 39.733 38.487 -0.220 0.000 1.506 18 N HN -0.180 nan 8.380 nan 0.000 0.576 19 P HA 0.026 nan 4.420 nan 0.000 0.228 19 P C 1.105 178.174 177.300 -0.384 0.000 1.151 19 P CA 0.803 63.575 63.100 -0.546 0.000 0.770 19 P CB 0.103 30.979 31.700 -1.374 0.000 0.786 20 G N -0.596 108.019 108.800 -0.308 0.000 2.712 20 G HA2 0.058 4.034 3.960 0.027 0.000 0.212 20 G HA3 0.058 4.034 3.960 0.027 0.000 0.212 20 G C 0.294 175.117 174.900 -0.130 0.000 1.142 20 G CA 0.150 45.122 45.100 -0.214 0.000 0.789 20 G HN 0.220 nan 8.290 nan 0.000 0.535 21 V N 1.621 121.472 119.914 -0.105 0.000 2.325 21 V HA 0.282 4.418 4.120 0.027 0.000 0.280 21 V C 0.905 177.049 176.094 0.084 0.000 1.016 21 V CA 0.127 62.414 62.300 -0.021 0.000 0.818 21 V CB 1.188 32.978 31.823 -0.054 0.000 1.019 21 V HN 0.323 nan 8.190 nan 0.000 0.434 22 T N 0.791 115.392 114.554 0.079 0.000 3.040 22 T HA 0.358 4.724 4.350 0.027 0.000 0.250 22 T C 0.277 175.032 174.700 0.092 0.000 1.058 22 T CA 0.184 62.339 62.100 0.092 0.000 0.988 22 T CB 0.276 69.152 68.868 0.014 0.000 0.993 22 T HN 0.701 nan 8.240 nan 0.000 0.519 23 Q N 0.111 120.011 119.800 0.166 0.000 2.776 23 Q HA 0.670 5.027 4.340 0.027 0.000 0.289 23 Q C -2.266 173.880 176.000 0.242 0.000 0.912 23 Q CA -1.093 54.801 55.803 0.152 0.000 0.789 23 Q CB 0.821 29.561 28.738 0.004 0.000 1.498 23 Q HN 0.216 nan 8.270 nan 0.000 0.408 24 L N 1.496 122.887 121.223 0.281 0.000 2.470 24 L HA 0.623 4.979 4.340 0.027 0.000 0.268 24 L C -0.660 176.337 176.870 0.212 0.000 0.964 24 L CA -0.910 54.094 54.840 0.273 0.000 0.839 24 L CB 1.978 44.308 42.059 0.452 0.000 1.276 24 L HN 0.837 nan 8.230 nan 0.000 0.403 25 N N 0.726 119.515 118.700 0.148 0.000 2.782 25 N HA -0.202 4.554 4.740 0.027 0.000 0.251 25 N C 0.104 175.678 175.510 0.108 0.000 1.101 25 N CA 0.801 53.925 53.050 0.123 0.000 0.764 25 N CB -0.813 37.710 38.487 0.061 0.000 1.122 25 N HN 0.667 nan 8.380 nan 0.000 0.561 26 R N 0.720 121.206 120.500 -0.022 0.000 2.490 26 R HA 0.455 4.811 4.340 0.027 0.000 0.278 26 R C 0.467 176.627 176.300 -0.233 0.000 1.069 26 R CA -0.398 55.486 56.100 -0.361 0.000 1.080 26 R CB 0.589 30.672 30.300 -0.360 0.000 1.030 26 R HN 0.123 nan 8.270 nan 0.000 0.491 27 L N 2.818 123.866 121.223 -0.292 0.000 2.453 27 L HA 0.340 4.696 4.340 0.027 0.000 0.261 27 L C 0.623 177.444 176.870 -0.082 0.000 1.179 27 L CA -0.603 54.166 54.840 -0.118 0.000 0.813 27 L CB 0.932 42.956 42.059 -0.057 0.000 1.110 27 L HN 0.782 nan 8.230 nan 0.000 0.466 28 A N 1.399 124.214 122.820 -0.009 0.000 2.507 28 A HA 0.431 4.767 4.320 0.027 0.000 0.235 28 A C 0.313 177.909 177.584 0.020 0.000 1.070 28 A CA 0.140 52.182 52.037 0.008 0.000 0.768 28 A CB 0.041 19.071 19.000 0.051 0.000 1.011 28 A HN 0.795 nan 8.150 nan 0.000 0.502 29 A N 1.296 124.085 122.820 -0.052 0.000 2.304 29 A HA 0.710 5.046 4.320 0.027 0.000 0.271 29 A C 0.055 177.559 177.584 -0.134 0.000 1.091 29 A CA 0.418 52.352 52.037 -0.172 0.000 0.812 29 A CB 0.015 18.907 19.000 -0.180 0.000 1.056 29 A HN 2.002 nan 8.150 nan 0.000 0.489 30 H N -2.066 116.864 119.070 -0.234 0.000 2.935 30 H HA 0.620 5.192 4.556 0.027 0.000 0.297 30 H C -3.436 171.612 175.328 -0.467 0.000 1.423 30 H CA -1.708 54.143 56.048 -0.329 0.000 1.161 30 H CB 0.065 29.559 29.762 -0.447 0.000 1.841 30 H HN 0.384 nan 8.280 nan 0.000 0.506 31 P HA 0.228 nan 4.420 nan 0.000 0.274 31 P C -2.602 174.512 177.300 -0.311 0.000 1.256 31 P CA -1.522 61.364 63.100 -0.357 0.000 0.795 31 P CB -0.315 31.100 31.700 -0.475 0.000 1.038 32 P HA 0.059 nan 4.420 nan 0.000 0.260 32 P C -0.789 176.666 177.300 0.257 0.000 1.185 32 P CA 1.100 64.213 63.100 0.022 0.000 0.763 32 P CB -0.209 31.549 31.700 0.097 0.000 0.776 33 F N 1.393 121.453 119.950 0.183 0.000 2.556 33 F HA 0.612 5.155 4.527 0.027 0.000 0.327 33 F C 1.022 176.760 175.800 -0.103 0.000 1.059 33 F CA -1.052 56.998 58.000 0.083 0.000 0.953 33 F CB 2.170 41.180 39.000 0.017 0.000 1.227 33 F HN 0.204 nan 8.300 nan 0.000 0.478 34 A N 0.282 123.047 122.820 -0.091 0.000 2.606 34 A HA 0.237 4.574 4.320 0.027 0.000 0.230 34 A C 0.598 177.917 177.584 -0.441 0.000 1.279 34 A CA 0.414 52.151 52.037 -0.499 0.000 1.010 34 A CB -0.108 18.070 19.000 -1.369 0.000 1.271 34 A HN 0.753 nan 8.150 nan 0.000 0.584 35 S N 0.572 116.130 115.700 -0.236 0.000 3.524 35 S HA -0.149 4.337 4.470 0.027 0.000 0.377 35 S C 0.004 174.572 174.600 -0.052 0.000 0.949 35 S CA 0.403 58.519 58.200 -0.141 0.000 1.264 35 S CB -1.567 61.541 63.200 -0.154 0.000 0.918 35 S HN 0.459 nan 8.310 nan 0.000 0.517 36 W N 1.921 123.207 121.300 -0.024 0.000 2.158 36 W HA 0.225 4.901 4.660 0.026 0.000 0.339 36 W C 1.369 177.871 176.519 -0.028 0.000 1.294 36 W CA -0.525 56.811 57.345 -0.015 0.000 1.231 36 W CB 0.241 29.694 29.460 -0.013 0.000 1.143 36 W HN 0.359 nan 8.180 nan 0.000 0.571 37 R N 1.877 122.508 120.500 0.218 0.000 2.577 37 R HA 0.094 4.450 4.340 0.027 0.000 0.344 37 R C -0.107 176.246 176.300 0.089 0.000 1.037 37 R CA -0.122 56.044 56.100 0.110 0.000 1.102 37 R CB -0.103 30.232 30.300 0.058 0.000 1.313 37 R HN 0.384 nan 8.270 nan 0.000 0.561 38 N N 0.121 118.885 118.700 0.107 0.000 2.454 38 N HA 0.111 4.867 4.740 0.027 0.000 0.291 38 N C -0.195 175.280 175.510 -0.059 0.000 1.079 38 N CA 0.005 53.070 53.050 0.023 0.000 0.893 38 N CB 1.827 40.331 38.487 0.028 0.000 1.512 38 N HN -0.247 nan 8.380 nan 0.000 0.497 39 S N 2.320 117.970 115.700 -0.084 0.000 2.402 39 S HA -0.155 4.331 4.470 0.027 0.000 0.229 39 S C 1.443 175.883 174.600 -0.266 0.000 1.021 39 S CA 1.061 59.170 58.200 -0.151 0.000 0.974 39 S CB -0.007 63.140 63.200 -0.088 0.000 0.800 39 S HN 0.773 nan 8.310 nan 0.000 0.484 40 E N 1.878 121.941 120.200 -0.228 0.000 2.110 40 E HA -0.161 4.206 4.350 0.027 0.000 0.193 40 E C 1.749 178.129 176.600 -0.365 0.000 0.988 40 E CA 1.389 57.615 56.400 -0.290 0.000 0.804 40 E CB -0.236 29.347 29.700 -0.195 0.000 0.745 40 E HN 0.579 nan 8.360 nan 0.000 0.458 41 E N -0.110 119.882 120.200 -0.348 0.000 2.110 41 E HA -0.173 4.193 4.350 0.027 0.000 0.193 41 E C 2.038 178.061 176.600 -0.962 0.000 0.988 41 E CA 0.978 57.122 56.400 -0.427 0.000 0.804 41 E CB -0.219 29.366 29.700 -0.192 0.000 0.745 41 E HN 0.419 nan 8.360 nan 0.000 0.458 42 A N 1.474 123.560 122.820 -1.223 0.000 1.930 42 A HA -0.194 4.142 4.320 0.027 0.000 0.217 42 A C 2.086 179.102 177.584 -0.947 0.000 1.175 42 A CA 1.365 52.374 52.037 -1.714 0.000 0.627 42 A CB -0.415 17.982 19.000 -1.006 0.000 0.815 42 A HN 0.075 nan 8.150 nan 0.000 0.443 43 R N -0.177 119.929 120.500 -0.656 0.000 2.081 43 R HA -0.134 4.222 4.340 0.027 0.000 0.235 43 R C 1.833 177.871 176.300 -0.437 0.000 1.131 43 R CA 2.064 57.819 56.100 -0.574 0.000 0.960 43 R CB -0.379 29.457 30.300 -0.773 0.000 0.856 43 R HN 0.612 nan 8.270 nan 0.000 0.436 44 T N -2.800 111.517 114.554 -0.396 0.000 3.122 44 T HA 0.089 4.455 4.350 0.027 0.000 0.250 44 T C 0.084 174.704 174.700 -0.133 0.000 1.067 44 T CA 0.333 62.293 62.100 -0.234 0.000 0.966 44 T CB 0.174 68.927 68.868 -0.192 0.000 1.002 44 T HN 0.330 nan 8.240 nan 0.000 0.542 45 D N 1.082 121.375 120.400 -0.179 0.000 2.723 45 D HA -0.156 4.500 4.640 0.027 0.000 0.236 45 D C -0.081 176.355 176.300 0.226 0.000 1.138 45 D CA 0.404 54.459 54.000 0.092 0.000 0.676 45 D CB -1.200 39.687 40.800 0.145 0.000 1.069 45 D HN 0.604 nan 8.370 nan 0.000 0.430 46 R N 0.318 120.923 120.500 0.175 0.000 2.582 46 R HA 0.481 4.837 4.340 0.027 0.000 0.271 46 R C -2.037 174.524 176.300 0.435 0.000 1.078 46 R CA -1.311 54.927 56.100 0.230 0.000 1.127 46 R CB 0.297 30.668 30.300 0.119 0.000 1.038 46 R HN 0.078 nan 8.270 nan 0.000 0.500 47 P HA -0.058 nan 4.420 nan 0.000 0.267 47 P C -0.784 176.666 177.300 0.251 0.000 1.200 47 P CA 0.216 63.447 63.100 0.218 0.000 0.772 47 P CB 0.759 32.541 31.700 0.138 0.000 0.855 48 S N 1.582 117.316 115.700 0.057 0.000 2.442 48 S HA 0.105 4.591 4.470 0.027 0.000 0.297 48 S C 1.029 175.644 174.600 0.025 0.000 1.131 48 S CA -0.525 57.639 58.200 -0.060 0.000 1.092 48 S CB 0.297 63.153 63.200 -0.573 0.000 0.998 48 S HN 0.268 nan 8.310 nan 0.000 0.478 49 Q N 2.781 122.636 119.800 0.091 0.000 2.291 49 Q HA -0.086 4.271 4.340 0.027 0.000 0.206 49 Q C 0.917 177.035 176.000 0.197 0.000 0.976 49 Q CA 1.267 57.154 55.803 0.139 0.000 0.875 49 Q CB -0.013 28.809 28.738 0.141 0.000 0.927 49 Q HN 0.717 nan 8.270 nan 0.000 0.450 50 Q N -0.271 119.569 119.800 0.067 0.000 2.444 50 Q HA 0.080 4.436 4.340 0.027 0.000 0.206 50 Q C -0.207 175.850 176.000 0.094 0.000 0.948 50 Q CA 0.187 55.985 55.803 -0.009 0.000 0.946 50 Q CB 0.355 29.003 28.738 -0.150 0.000 1.027 50 Q HN 0.035 nan 8.270 nan 0.000 0.513 51 L N 0.625 121.910 121.223 0.103 0.000 2.345 51 L HA 0.423 4.779 4.340 0.027 0.000 0.274 51 L C -1.214 175.737 176.870 0.135 0.000 0.999 51 L CA -0.358 54.541 54.840 0.098 0.000 0.849 51 L CB 1.023 43.053 42.059 -0.049 0.000 1.220 51 L HN -0.140 nan 8.230 nan 0.000 0.422 52 R N 2.542 123.157 120.500 0.193 0.000 2.460 52 R HA 0.564 4.921 4.340 0.027 0.000 0.303 52 R C -0.498 175.821 176.300 0.032 0.000 0.968 52 R CA -0.633 55.526 56.100 0.098 0.000 0.889 52 R CB 1.970 32.290 30.300 0.034 0.000 1.123 52 R HN 0.665 nan 8.270 nan 0.000 0.455 53 S N 2.542 118.251 115.700 0.014 0.000 2.525 53 S HA 0.269 4.756 4.470 0.027 0.000 0.278 53 S C 0.657 175.248 174.600 -0.013 0.000 1.234 53 S CA -0.642 57.557 58.200 -0.001 0.000 1.058 53 S CB 0.561 63.772 63.200 0.018 0.000 0.983 53 S HN 0.568 nan 8.310 nan 0.000 0.495 54 L N 3.599 124.811 121.223 -0.019 0.000 2.769 54 L HA 0.298 4.654 4.340 0.027 0.000 0.240 54 L C 0.166 177.167 176.870 0.218 0.000 1.163 54 L CA -0.377 54.469 54.840 0.010 0.000 0.962 54 L CB -0.328 41.679 42.059 -0.087 0.000 1.258 54 L HN 0.515 nan 8.230 nan 0.000 0.513 55 N N 1.147 119.929 118.700 0.137 0.000 2.453 55 N HA 0.493 5.249 4.740 0.027 0.000 0.253 55 N C 0.683 176.316 175.510 0.205 0.000 1.252 55 N CA 0.999 54.143 53.050 0.156 0.000 0.917 55 N CB 1.234 39.748 38.487 0.045 0.000 1.117 55 N HN 0.282 nan 8.380 nan 0.000 0.442 56 G N 0.271 109.208 108.800 0.228 0.000 2.225 56 G HA2 -0.100 3.876 3.960 0.027 0.000 0.203 56 G HA3 -0.100 3.876 3.960 0.027 0.000 0.203 56 G C -1.476 173.623 174.900 0.332 0.000 1.335 56 G CA -0.776 44.450 45.100 0.210 0.000 1.183 56 G HN 0.473 nan 8.290 nan 0.000 0.488 57 E N 0.124 120.489 120.200 0.276 0.000 2.194 57 E HA 0.468 4.834 4.350 0.027 0.000 0.284 57 E C -0.978 175.855 176.600 0.389 0.000 1.035 57 E CA -0.177 56.404 56.400 0.301 0.000 0.836 57 E CB 1.010 30.808 29.700 0.163 0.000 1.070 57 E HN 0.350 nan 8.360 nan 0.000 0.401 58 W N 1.633 123.019 121.300 0.144 0.000 2.850 58 W HA 0.404 5.080 4.660 0.027 0.000 0.349 58 W C 0.127 176.771 176.519 0.209 0.000 1.133 58 W CA -0.756 56.706 57.345 0.194 0.000 1.117 58 W CB 0.771 30.401 29.460 0.283 0.000 1.442 58 W HN 0.172 nan 8.180 nan 0.000 0.575 59 R N 1.518 122.295 120.500 0.462 0.000 2.368 59 R HA 0.578 4.934 4.340 0.027 0.000 0.302 59 R C -1.441 175.111 176.300 0.420 0.000 1.002 59 R CA -0.863 55.447 56.100 0.350 0.000 0.929 59 R CB 1.071 31.528 30.300 0.261 0.000 1.073 59 R HN 0.479 nan 8.270 nan 0.000 0.464 60 F N 0.503 120.491 119.950 0.064 0.000 2.591 60 F HA 0.636 5.180 4.527 0.027 0.000 0.309 60 F C -1.534 174.095 175.800 -0.285 0.000 1.098 60 F CA -0.636 57.253 58.000 -0.184 0.000 0.937 60 F CB 1.973 40.758 39.000 -0.359 0.000 1.250 60 F HN 0.612 nan 8.300 nan 0.000 0.447 61 A N 4.412 126.516 122.820 -1.194 0.000 2.449 61 A HA 0.592 4.928 4.320 0.027 0.000 0.302 61 A C -2.379 174.181 177.584 -1.707 0.000 1.048 61 A CA -0.552 50.794 52.037 -1.152 0.000 0.708 61 A CB 0.802 19.411 19.000 -0.652 0.000 1.274 61 A HN 0.952 nan 8.150 nan 0.000 0.410 62 W N 2.396 122.744 121.300 -1.587 0.000 2.496 62 W HA 0.740 5.417 4.660 0.027 0.000 0.327 62 W C -1.706 174.088 176.519 -1.209 0.000 1.086 62 W CA -0.245 56.327 57.345 -1.290 0.000 1.222 62 W CB 1.038 30.035 29.460 -0.771 0.000 1.304 62 W HN 0.511 nan 8.180 nan 0.000 0.547 63 F N 5.618 124.836 119.950 -1.221 0.000 2.613 63 F HA 0.382 4.925 4.527 0.027 0.000 0.314 63 F C -1.342 173.473 175.800 -1.643 0.000 1.075 63 F CA -2.055 55.359 58.000 -0.977 0.000 0.945 63 F CB 1.962 40.559 39.000 -0.672 0.000 1.310 63 F HN 0.191 nan 8.300 nan 0.000 0.467 64 P HA 0.156 nan 4.420 nan 0.000 0.235 64 P C -0.430 176.738 177.300 -0.220 0.000 1.177 64 P CA 0.740 63.561 63.100 -0.465 0.000 0.785 64 P CB 0.838 32.559 31.700 0.034 0.000 0.885 65 A N -0.291 122.407 122.820 -0.204 0.000 2.612 65 A HA 0.541 4.877 4.320 0.027 0.000 0.293 65 A C -2.441 175.023 177.584 -0.201 0.000 1.075 65 A CA -1.079 50.880 52.037 -0.130 0.000 0.680 65 A CB 0.602 19.590 19.000 -0.021 0.000 1.279 65 A HN -0.294 nan 8.150 nan 0.000 0.411 66 P HA -0.083 nan 4.420 nan 0.000 0.220 66 P C 0.705 177.892 177.300 -0.187 0.000 1.148 66 P CA 1.370 64.319 63.100 -0.251 0.000 0.803 66 P CB 0.260 31.769 31.700 -0.318 0.000 0.782 67 E N 0.073 120.220 120.200 -0.088 0.000 2.333 67 E HA -0.050 4.316 4.350 0.027 0.000 0.198 67 E C 2.005 178.514 176.600 -0.152 0.000 1.007 67 E CA 1.125 57.483 56.400 -0.071 0.000 0.845 67 E CB -0.834 28.863 29.700 -0.004 0.000 0.766 67 E HN 0.226 nan 8.360 nan 0.000 0.507 68 A N 0.321 123.010 122.820 -0.217 0.000 2.208 68 A HA 0.077 4.413 4.320 0.027 0.000 0.209 68 A C 0.718 177.944 177.584 -0.597 0.000 1.161 68 A CA -0.078 51.808 52.037 -0.252 0.000 0.782 68 A CB 0.244 19.185 19.000 -0.099 0.000 0.816 68 A HN 0.036 nan 8.150 nan 0.000 0.477 69 V N 3.085 122.535 119.914 -0.775 0.000 2.470 69 V HA 0.199 4.335 4.120 0.027 0.000 0.276 69 V C -2.174 173.568 176.094 -0.586 0.000 1.040 69 V CA -1.408 60.228 62.300 -1.106 0.000 1.008 69 V CB 0.628 31.899 31.823 -0.920 0.000 0.990 69 V HN 0.318 nan 8.190 nan 0.000 0.477 70 P HA 0.268 nan 4.420 nan 0.000 0.280 70 P C 0.320 177.566 177.300 -0.091 0.000 1.244 70 P CA -0.390 62.591 63.100 -0.199 0.000 0.784 70 P CB 1.241 32.878 31.700 -0.104 0.000 0.913 71 E N 1.392 121.548 120.200 -0.074 0.000 2.160 71 E HA -0.185 4.182 4.350 0.027 0.000 0.195 71 E C 1.927 178.504 176.600 -0.038 0.000 0.991 71 E CA 1.855 58.220 56.400 -0.058 0.000 0.810 71 E CB -0.785 28.882 29.700 -0.055 0.000 0.742 71 E HN 0.586 nan 8.360 nan 0.000 0.466 72 S N -0.410 115.285 115.700 -0.008 0.000 2.402 72 S HA -0.237 4.249 4.470 0.027 0.000 0.233 72 S C 1.905 176.518 174.600 0.023 0.000 1.030 72 S CA 1.072 59.275 58.200 0.004 0.000 1.003 72 S CB -0.922 62.291 63.200 0.022 0.000 0.813 72 S HN 0.557 nan 8.310 nan 0.000 0.477 73 W N 2.331 123.542 121.300 -0.149 0.000 2.364 73 W HA 0.024 4.700 4.660 0.027 0.000 0.281 73 W C 1.697 178.110 176.519 -0.176 0.000 1.219 73 W CA 0.884 58.143 57.345 -0.143 0.000 1.220 73 W CB -0.374 28.979 29.460 -0.178 0.000 1.127 73 W HN 0.266 nan 8.180 nan 0.000 0.556 74 L N 0.198 121.193 121.223 -0.380 0.000 2.083 74 L HA -0.182 4.174 4.340 0.027 0.000 0.209 74 L C 2.113 178.726 176.870 -0.427 0.000 1.083 74 L CA 1.860 56.306 54.840 -0.657 0.000 0.752 74 L CB -0.610 41.126 42.059 -0.539 0.000 0.899 74 L HN -0.032 nan 8.230 nan 0.000 0.433 75 E N -2.180 117.868 120.200 -0.253 0.000 2.413 75 E HA 0.058 4.424 4.350 0.027 0.000 0.203 75 E C -0.225 176.294 176.600 -0.134 0.000 0.957 75 E CA 0.007 56.312 56.400 -0.158 0.000 0.950 75 E CB 0.791 30.438 29.700 -0.089 0.000 0.957 75 E HN 0.263 nan 8.360 nan 0.000 0.497 76 C N 0.169 119.389 119.300 -0.133 0.000 2.888 76 C HA 0.348 4.825 4.460 0.027 0.000 0.308 76 C C -1.065 173.905 174.990 -0.033 0.000 1.213 76 C CA -1.193 57.781 59.018 -0.073 0.000 1.461 76 C CB 1.036 28.759 27.740 -0.030 0.000 1.934 76 C HN 0.322 nan 8.230 nan 0.000 0.474 77 D N 2.245 122.644 120.400 -0.003 0.000 2.525 77 D HA 0.170 4.826 4.640 0.027 0.000 0.235 77 D C -0.345 176.027 176.300 0.120 0.000 1.137 77 D CA 0.664 54.708 54.000 0.072 0.000 0.868 77 D CB 0.572 41.407 40.800 0.058 0.000 1.180 77 D HN 0.489 nan 8.370 nan 0.000 0.465 78 L N 6.096 127.439 121.223 0.200 0.000 2.319 78 L HA 0.236 4.592 4.340 0.027 0.000 0.280 78 L C -1.202 175.728 176.870 0.100 0.000 1.099 78 L CA -1.435 53.501 54.840 0.161 0.000 0.828 78 L CB 1.241 43.407 42.059 0.177 0.000 1.150 78 L HN 0.528 nan 8.230 nan 0.000 0.442 79 P HA -0.130 nan 4.420 nan 0.000 0.222 79 P C 0.699 178.026 177.300 0.045 0.000 1.147 79 P CA 0.919 64.050 63.100 0.053 0.000 0.790 79 P CB 0.253 31.977 31.700 0.040 0.000 0.780 80 E N 0.103 120.325 120.200 0.037 0.000 2.274 80 E HA 0.068 4.434 4.350 0.027 0.000 0.194 80 E C 1.166 177.769 176.600 0.005 0.000 0.996 80 E CA 0.308 56.716 56.400 0.013 0.000 0.840 80 E CB -0.824 28.869 29.700 -0.012 0.000 0.772 80 E HN 0.202 nan 8.360 nan 0.000 0.491 81 A N 1.404 124.236 122.820 0.020 0.000 2.492 81 A HA 0.065 4.401 4.320 0.027 0.000 0.236 81 A C 0.036 177.665 177.584 0.074 0.000 1.078 81 A CA -0.040 52.009 52.037 0.021 0.000 0.773 81 A CB 0.250 19.294 19.000 0.074 0.000 1.023 81 A HN -0.032 nan 8.150 nan 0.000 0.504 82 D N -0.425 120.049 120.400 0.123 0.000 2.384 82 D HA 0.508 5.165 4.640 0.027 0.000 0.250 82 D C -0.565 175.845 176.300 0.183 0.000 1.029 82 D CA 0.012 54.108 54.000 0.161 0.000 0.990 82 D CB 1.333 42.277 40.800 0.240 0.000 1.175 82 D HN 0.398 nan 8.370 nan 0.000 0.532 83 T N 0.556 115.201 114.554 0.152 0.000 2.744 83 T HA 0.511 4.877 4.350 0.027 0.000 0.291 83 T C 0.074 174.865 174.700 0.151 0.000 0.957 83 T CA -0.523 61.674 62.100 0.162 0.000 1.002 83 T CB 0.632 69.571 68.868 0.117 0.000 0.919 83 T HN 0.268 nan 8.240 nan 0.000 0.468 84 V N 1.280 121.315 119.914 0.202 0.000 3.130 84 V HA 0.794 4.930 4.120 0.027 0.000 0.310 84 V C -0.331 175.881 176.094 0.196 0.000 1.158 84 V CA -1.064 61.313 62.300 0.129 0.000 1.029 84 V CB 1.594 33.514 31.823 0.161 0.000 1.057 84 V HN 0.503 nan 8.190 nan 0.000 0.436 85 V N 1.586 121.590 119.914 0.150 0.000 2.732 85 V HA 0.547 4.683 4.120 0.027 0.000 0.297 85 V C -0.006 176.173 176.094 0.140 0.000 1.060 85 V CA -0.084 62.310 62.300 0.158 0.000 1.038 85 V CB 1.478 33.358 31.823 0.095 0.000 1.003 85 V HN 0.758 nan 8.190 nan 0.000 0.481 86 V N 6.439 126.358 119.914 0.008 0.000 2.588 86 V HA 0.452 4.588 4.120 0.027 0.000 0.304 86 V C -2.323 173.657 176.094 -0.190 0.000 1.042 86 V CA -1.640 60.514 62.300 -0.245 0.000 0.877 86 V CB 2.545 33.854 31.823 -0.856 0.000 0.996 86 V HN 0.771 nan 8.190 nan 0.000 0.425 87 P HA 0.440 nan 4.420 nan 0.000 0.277 87 P C -0.836 176.392 177.300 -0.120 0.000 1.240 87 P CA -0.084 62.892 63.100 -0.205 0.000 0.798 87 P CB 1.406 32.996 31.700 -0.182 0.000 0.979 88 S N 0.559 116.195 115.700 -0.106 0.000 2.595 88 S HA 0.386 4.872 4.470 0.027 0.000 0.270 88 S C -1.247 173.282 174.600 -0.118 0.000 1.145 88 S CA -1.051 57.076 58.200 -0.123 0.000 0.825 88 S CB 0.429 63.485 63.200 -0.239 0.000 1.107 88 S HN 0.354 nan 8.310 nan 0.000 0.461 89 N N 1.113 119.686 118.700 -0.213 0.000 2.425 89 N HA 0.405 5.161 4.740 0.027 0.000 0.268 89 N C 0.571 175.917 175.510 -0.273 0.000 0.991 89 N CA -0.837 52.061 53.050 -0.254 0.000 0.931 89 N CB 0.652 38.958 38.487 -0.301 0.000 1.130 89 N HN 0.855 nan 8.380 nan 0.000 0.493 90 W N 2.716 123.871 121.300 -0.241 0.000 2.364 90 W HA -0.123 4.553 4.660 0.028 0.000 0.281 90 W C 1.001 177.488 176.519 -0.053 0.000 1.219 90 W CA 0.795 58.007 57.345 -0.222 0.000 1.220 90 W CB -0.389 28.953 29.460 -0.196 0.000 1.127 90 W HN 0.503 nan 8.180 nan 0.000 0.556 91 Q N 0.463 120.259 119.800 -0.006 0.000 2.170 91 Q HA -0.139 4.217 4.340 0.027 0.000 0.203 91 Q C 2.166 178.100 176.000 -0.109 0.000 0.976 91 Q CA 1.951 57.721 55.803 -0.055 0.000 0.858 91 Q CB -0.611 27.973 28.738 -0.257 0.000 0.907 91 Q HN 0.271 nan 8.270 nan 0.000 0.433 92 M N -0.756 118.747 119.600 -0.162 0.000 2.557 92 M HA -0.047 4.449 4.480 0.027 0.000 0.259 92 M C 0.606 176.954 176.300 0.081 0.000 1.086 92 M CA 1.348 56.575 55.300 -0.120 0.000 1.096 92 M CB -0.563 31.950 32.600 -0.146 0.000 1.424 92 M HN 0.385 nan 8.290 nan 0.000 0.488 93 H N -1.097 117.982 119.070 0.015 0.000 2.586 93 H HA 0.312 4.884 4.556 0.027 0.000 0.273 93 H C 1.325 176.520 175.328 -0.220 0.000 0.997 93 H CA 0.113 56.146 56.048 -0.025 0.000 1.177 93 H CB 0.491 30.338 29.762 0.142 0.000 1.471 93 H HN 0.538 nan 8.280 nan 0.000 0.538 94 G N 0.597 109.371 108.800 -0.043 0.000 2.176 94 G HA2 -0.371 3.605 3.960 0.027 0.000 0.253 94 G HA3 -0.371 3.605 3.960 0.027 0.000 0.253 94 G C 0.448 175.186 174.900 -0.269 0.000 0.979 94 G CA 0.337 45.341 45.100 -0.160 0.000 0.641 94 G HN 0.473 nan 8.290 nan 0.000 0.530 95 Y N 1.693 121.999 120.300 0.011 0.000 2.293 95 Y HA 0.253 4.819 4.550 0.027 0.000 0.291 95 Y C 1.662 177.315 175.900 -0.413 0.000 1.137 95 Y CA 1.591 59.578 58.100 -0.188 0.000 1.202 95 Y CB 0.219 38.637 38.460 -0.071 0.000 0.990 95 Y HN 0.638 nan 8.280 nan 0.000 0.537 96 D N -1.869 118.581 120.400 0.083 0.000 2.665 96 D HA 0.484 5.140 4.640 0.027 0.000 0.287 96 D C -1.214 175.156 176.300 0.117 0.000 1.266 96 D CA -0.856 53.195 54.000 0.085 0.000 0.830 96 D CB 0.809 41.767 40.800 0.264 0.000 1.356 96 D HN -0.051 nan 8.370 nan 0.000 0.437 97 A N 0.114 123.011 122.820 0.129 0.000 2.304 97 A HA 0.710 5.046 4.320 0.027 0.000 0.301 97 A C -2.318 175.286 177.584 0.034 0.000 1.132 97 A CA -1.182 50.910 52.037 0.091 0.000 0.819 97 A CB 0.177 19.304 19.000 0.212 0.000 1.094 97 A HN 0.559 nan 8.150 nan 0.000 0.492 98 P HA 0.458 nan 4.420 nan 0.000 0.278 98 P C -0.942 176.534 177.300 0.293 0.000 1.238 98 P CA 0.043 63.081 63.100 -0.104 0.000 0.794 98 P CB 0.896 32.236 31.700 -0.600 0.000 0.955 99 I N 2.331 123.176 120.570 0.458 0.000 2.465 99 I HA 0.265 4.451 4.170 0.027 0.000 0.291 99 I C -0.598 175.743 176.117 0.373 0.000 1.014 99 I CA -1.014 60.552 61.300 0.444 0.000 1.093 99 I CB 1.828 40.014 38.000 0.310 0.000 1.267 99 I HN 0.299 nan 8.210 nan 0.000 0.431 100 Y N 5.874 126.154 120.300 -0.033 0.000 2.478 100 Y HA 0.510 5.076 4.550 0.027 0.000 0.329 100 Y C -0.327 175.436 175.900 -0.229 0.000 0.967 100 Y CA -0.496 57.297 58.100 -0.510 0.000 1.255 100 Y CB 1.145 38.790 38.460 -1.358 0.000 1.103 100 Y HN 0.536 nan 8.280 nan 0.000 0.497 101 T N 4.944 118.971 114.554 -0.878 0.000 2.893 101 T HA 0.264 4.630 4.350 0.027 0.000 0.293 101 T C 0.151 174.369 174.700 -0.803 0.000 1.027 101 T CA -0.575 61.068 62.100 -0.763 0.000 0.988 101 T CB 1.151 69.811 68.868 -0.346 0.000 1.043 101 T HN 0.756 nan 8.240 nan 0.000 0.461 102 N N 2.861 121.151 118.700 -0.683 0.000 2.272 102 N HA 0.062 4.818 4.740 0.027 0.000 0.195 102 N C 1.514 176.798 175.510 -0.378 0.000 1.048 102 N CA 1.540 54.359 53.050 -0.385 0.000 0.912 102 N CB -0.585 37.748 38.487 -0.256 0.000 1.096 102 N HN 0.384 nan 8.380 nan 0.000 0.471 103 V N 0.162 119.785 119.914 -0.485 0.000 2.581 103 V HA 0.143 4.279 4.120 0.027 0.000 0.240 103 V C 0.359 176.161 176.094 -0.488 0.000 1.054 103 V CA 0.832 62.762 62.300 -0.618 0.000 1.076 103 V CB -0.523 30.824 31.823 -0.793 0.000 0.748 103 V HN 0.314 nan 8.190 nan 0.000 0.474 104 T N 0.998 115.333 114.554 -0.366 0.000 2.888 104 T HA 0.194 4.560 4.350 0.027 0.000 0.301 104 T C -0.350 174.232 174.700 -0.196 0.000 1.001 104 T CA 0.186 62.144 62.100 -0.237 0.000 1.147 104 T CB -0.102 68.659 68.868 -0.180 0.000 0.931 104 T HN 0.171 nan 8.240 nan 0.000 0.541 105 Y N 4.535 124.745 120.300 -0.150 0.000 2.550 105 Y HA 0.110 4.676 4.550 0.027 0.000 0.343 105 Y C -0.769 175.014 175.900 -0.194 0.000 1.245 105 Y CA -1.583 56.421 58.100 -0.159 0.000 1.462 105 Y CB 0.430 38.792 38.460 -0.165 0.000 1.340 105 Y HN 0.515 nan 8.280 nan 0.000 0.604 106 P HA -0.001 nan 4.420 nan 0.000 0.245 106 P C -0.384 176.704 177.300 -0.352 0.000 1.212 106 P CA 1.123 64.126 63.100 -0.160 0.000 0.774 106 P CB -0.002 31.638 31.700 -0.100 0.000 0.999 107 I N -5.526 114.822 120.570 -0.370 0.000 3.074 107 I HA 0.482 4.668 4.170 0.027 0.000 0.310 107 I C -0.636 175.347 176.117 -0.222 0.000 1.153 107 I CA -1.217 59.821 61.300 -0.436 0.000 0.993 107 I CB 1.889 39.453 38.000 -0.728 0.000 1.237 107 I HN -0.466 nan 8.210 nan 0.000 0.443 108 T N 2.589 117.055 114.554 -0.147 0.000 2.946 108 T HA 0.124 4.490 4.350 0.027 0.000 0.311 108 T C 0.239 174.916 174.700 -0.037 0.000 1.063 108 T CA -0.168 61.897 62.100 -0.059 0.000 1.139 108 T CB 0.724 69.583 68.868 -0.015 0.000 0.994 108 T HN 0.383 nan 8.240 nan 0.000 0.547 109 V N 4.884 124.794 119.914 -0.007 0.000 2.364 109 V HA 0.186 4.323 4.120 0.027 0.000 0.252 109 V C 0.720 176.858 176.094 0.074 0.000 1.075 109 V CA -0.008 62.304 62.300 0.020 0.000 1.033 109 V CB -0.429 31.396 31.823 0.003 0.000 1.116 109 V HN 0.819 nan 8.190 nan 0.000 0.488 110 N N 5.851 124.655 118.700 0.173 0.000 2.666 110 N HA 0.250 5.006 4.740 0.027 0.000 0.253 110 N C -2.913 172.672 175.510 0.126 0.000 1.621 110 N CA -1.300 51.846 53.050 0.161 0.000 0.785 110 N CB 1.457 40.092 38.487 0.245 0.000 1.332 110 N HN 0.258 nan 8.380 nan 0.000 0.514 111 P HA 0.199 nan 4.420 nan 0.000 0.266 111 P C -2.325 174.723 177.300 -0.420 0.000 1.195 111 P CA -0.692 62.019 63.100 -0.649 0.000 0.768 111 P CB 0.551 31.601 31.700 -1.084 0.000 0.838 112 P HA 0.254 nan 4.420 nan 0.000 0.262 112 P C -0.472 176.701 177.300 -0.212 0.000 1.651 112 P CA -0.379 62.507 63.100 -0.357 0.000 1.119 112 P CB -0.028 31.461 31.700 -0.352 0.000 1.552 113 F N 0.990 121.061 119.950 0.201 0.000 2.380 113 F HA 0.311 4.855 4.527 0.028 0.000 0.325 113 F C 1.404 177.368 175.800 0.274 0.000 1.136 113 F CA -0.629 57.490 58.000 0.198 0.000 1.171 113 F CB 0.937 40.004 39.000 0.111 0.000 1.230 113 F HN -0.179 nan 8.300 nan 0.000 0.554 114 V N -0.801 119.393 119.914 0.467 0.000 3.126 114 V HA 0.691 4.828 4.120 0.027 0.000 0.314 114 V C -2.797 173.453 176.094 0.260 0.000 1.138 114 V CA -2.830 59.658 62.300 0.313 0.000 1.034 114 V CB 1.405 33.461 31.823 0.388 0.000 1.075 114 V HN 0.470 nan 8.190 nan 0.000 0.442 115 P HA 0.203 nan 4.420 nan 0.000 0.268 115 P C 1.032 178.461 177.300 0.214 0.000 1.208 115 P CA 0.602 63.788 63.100 0.144 0.000 0.777 115 P CB 0.514 32.268 31.700 0.090 0.000 0.875 116 T N -2.010 112.643 114.554 0.165 0.000 2.857 116 T HA -0.075 4.292 4.350 0.027 0.000 0.266 116 T C 0.536 175.336 174.700 0.167 0.000 1.048 116 T CA 0.773 62.975 62.100 0.170 0.000 1.139 116 T CB -0.584 68.352 68.868 0.113 0.000 0.874 116 T HN 0.306 nan 8.240 nan 0.000 0.455 117 E N 2.748 123.046 120.200 0.162 0.000 1.932 117 E HA 0.314 4.680 4.350 0.027 0.000 0.275 117 E C -0.687 176.055 176.600 0.236 0.000 1.159 117 E CA -0.237 56.265 56.400 0.169 0.000 0.905 117 E CB 0.101 29.909 29.700 0.179 0.000 1.059 117 E HN 0.330 nan 8.360 nan 0.000 0.400 118 N N 4.548 123.360 118.700 0.186 0.000 2.573 118 N HA 0.278 5.034 4.740 0.027 0.000 0.262 118 N C -2.862 172.675 175.510 0.046 0.000 1.029 118 N CA -2.656 50.542 53.050 0.247 0.000 0.882 118 N CB 1.129 39.759 38.487 0.238 0.000 1.204 118 N HN 0.030 nan 8.380 nan 0.000 0.519 119 P HA -0.007 nan 4.420 nan 0.000 0.257 119 P C -0.853 176.376 177.300 -0.118 0.000 1.162 119 P CA 0.588 63.657 63.100 -0.052 0.000 0.762 119 P CB 0.270 32.254 31.700 0.474 0.000 0.753 120 T N 3.111 117.326 114.554 -0.566 0.000 2.786 120 T HA 0.553 4.919 4.350 0.027 0.000 0.283 120 T C 0.348 174.555 174.700 -0.822 0.000 0.992 120 T CA -0.551 61.266 62.100 -0.472 0.000 0.954 120 T CB 1.460 70.083 68.868 -0.408 0.000 0.934 120 T HN 0.320 nan 8.240 nan 0.000 0.440 121 G N 1.172 109.572 108.800 -0.667 0.000 2.384 121 G HA2 0.480 4.456 3.960 0.027 0.000 0.316 121 G HA3 0.480 4.456 3.960 0.027 0.000 0.316 121 G C -0.314 174.337 174.900 -0.415 0.000 1.160 121 G CA -0.369 44.191 45.100 -0.898 0.000 0.936 121 G HN 0.854 nan 8.290 nan 0.000 0.455 122 C N 3.272 122.109 119.300 -0.771 0.000 2.223 122 C HA 0.479 4.955 4.460 0.027 0.000 0.324 122 C C -0.572 174.389 174.990 -0.048 0.000 1.196 122 C CA -0.918 57.820 59.018 -0.467 0.000 1.628 122 C CB -1.667 25.407 27.740 -1.110 0.000 2.229 122 C HN 0.631 nan 8.230 nan 0.000 0.486 123 Y N 1.991 122.578 120.300 0.478 0.000 2.420 123 Y HA 0.634 5.201 4.550 0.027 0.000 0.334 123 Y C 0.795 177.136 175.900 0.735 0.000 1.094 123 Y CA -0.204 58.276 58.100 0.633 0.000 1.126 123 Y CB 1.492 40.302 38.460 0.582 0.000 1.217 123 Y HN 0.673 nan 8.280 nan 0.000 0.462 124 S N 2.308 118.489 115.700 0.802 0.000 2.607 124 S HA 0.850 5.337 4.470 0.027 0.000 0.273 124 S C -1.866 172.826 174.600 0.153 0.000 1.148 124 S CA -0.815 57.650 58.200 0.442 0.000 0.833 124 S CB 2.270 65.618 63.200 0.247 0.000 1.130 124 S HN 0.625 nan 8.310 nan 0.000 0.470 125 L N 0.646 121.780 121.223 -0.150 0.000 2.526 125 L HA 0.675 5.031 4.340 0.027 0.000 0.263 125 L C -1.177 175.641 176.870 -0.087 0.000 0.943 125 L CA 0.098 54.692 54.840 -0.410 0.000 0.859 125 L CB 2.230 43.507 42.059 -1.302 0.000 1.313 125 L HN 0.894 nan 8.230 nan 0.000 0.406 126 T N 5.743 120.277 114.554 -0.033 0.000 2.749 126 T HA 0.717 5.083 4.350 0.027 0.000 0.287 126 T C -0.792 173.960 174.700 0.087 0.000 0.970 126 T CA 0.055 62.170 62.100 0.024 0.000 0.980 126 T CB 0.078 68.927 68.868 -0.032 0.000 0.924 126 T HN 0.455 nan 8.240 nan 0.000 0.456 127 F N 1.167 121.018 119.950 -0.165 0.000 2.626 127 F HA 0.734 5.277 4.527 0.027 0.000 0.311 127 F C -0.679 175.042 175.800 -0.133 0.000 1.088 127 F CA -1.562 56.341 58.000 -0.162 0.000 0.949 127 F CB 1.395 40.276 39.000 -0.200 0.000 1.322 127 F HN 0.352 nan 8.300 nan 0.000 0.461 128 N N 0.621 119.246 118.700 -0.126 0.000 2.509 128 N HA 0.629 5.386 4.740 0.027 0.000 0.287 128 N C -1.884 173.495 175.510 -0.219 0.000 1.121 128 N CA -0.392 52.527 53.050 -0.217 0.000 0.977 128 N CB 1.862 40.269 38.487 -0.135 0.000 1.167 128 N HN 0.642 nan 8.380 nan 0.000 0.476 129 V N 2.164 121.924 119.914 -0.256 0.000 2.525 129 V HA 0.224 4.361 4.120 0.027 0.000 0.299 129 V C -0.631 175.352 176.094 -0.186 0.000 1.034 129 V CA -0.900 61.255 62.300 -0.241 0.000 0.863 129 V CB 1.404 33.141 31.823 -0.144 0.000 0.999 129 V HN 0.803 nan 8.190 nan 0.000 0.423 130 D N 2.590 122.849 120.400 -0.235 0.000 2.372 130 D HA 0.150 4.806 4.640 0.027 0.000 0.243 130 D C 1.144 177.452 176.300 0.013 0.000 1.121 130 D CA -0.010 53.927 54.000 -0.105 0.000 0.898 130 D CB 1.427 42.157 40.800 -0.116 0.000 1.202 130 D HN 0.631 nan 8.370 nan 0.000 0.428 131 E N 1.533 121.751 120.200 0.030 0.000 2.130 131 E HA -0.235 4.131 4.350 0.027 0.000 0.196 131 E C 1.785 178.456 176.600 0.118 0.000 0.998 131 E CA 1.821 58.260 56.400 0.065 0.000 0.806 131 E CB -0.462 29.262 29.700 0.039 0.000 0.738 131 E HN 0.494 nan 8.360 nan 0.000 0.459 132 S N -0.860 114.918 115.700 0.129 0.000 2.380 132 S HA -0.214 4.272 4.470 0.027 0.000 0.229 132 S C 1.911 176.615 174.600 0.174 0.000 1.043 132 S CA 1.357 59.640 58.200 0.138 0.000 1.038 132 S CB -1.044 62.241 63.200 0.140 0.000 0.872 132 S HN 0.423 nan 8.310 nan 0.000 0.456 133 W N 1.636 122.881 121.300 -0.092 0.000 2.519 133 W HA 0.350 5.026 4.660 0.027 0.000 0.266 133 W C 1.872 178.460 176.519 0.116 0.000 1.253 133 W CA 0.068 57.354 57.345 -0.098 0.000 1.274 133 W CB -0.404 29.064 29.460 0.015 0.000 1.114 133 W HN 0.328 nan 8.180 nan 0.000 0.596 134 L N -0.831 120.572 121.223 0.299 0.000 2.616 134 L HA 0.134 4.490 4.340 0.027 0.000 0.229 134 L C 2.087 179.046 176.870 0.148 0.000 1.110 134 L CA 0.229 55.201 54.840 0.220 0.000 0.884 134 L CB -0.541 41.617 42.059 0.166 0.000 1.115 134 L HN -0.122 nan 8.230 nan 0.000 0.481 135 Q N 0.862 120.737 119.800 0.126 0.000 2.230 135 Q HA -0.040 4.317 4.340 0.027 0.000 0.202 135 Q C 0.203 176.255 176.000 0.087 0.000 0.963 135 Q CA 1.187 57.041 55.803 0.086 0.000 0.866 135 Q CB 0.501 29.277 28.738 0.064 0.000 0.931 135 Q HN 0.245 nan 8.270 nan 0.000 0.452 136 E N -1.995 118.278 120.200 0.122 0.000 2.408 136 E HA 0.590 4.956 4.350 0.027 0.000 0.275 136 E C -0.611 176.105 176.600 0.193 0.000 0.935 136 E CA 0.289 56.760 56.400 0.119 0.000 0.775 136 E CB 1.721 31.483 29.700 0.103 0.000 1.277 136 E HN 0.277 nan 8.360 nan 0.000 0.455 137 G N 1.546 110.383 108.800 0.062 0.000 2.693 137 G HA2 -0.224 3.752 3.960 0.027 0.000 0.226 137 G HA3 -0.224 3.752 3.960 0.027 0.000 0.226 137 G C -0.815 173.980 174.900 -0.175 0.000 1.354 137 G CA 0.026 45.057 45.100 -0.115 0.000 0.873 137 G HN 0.602 nan 8.290 nan 0.000 0.562 138 Q N -0.544 119.004 119.800 -0.420 0.000 2.340 138 Q HA 0.641 4.997 4.340 0.027 0.000 0.268 138 Q C -0.937 174.911 176.000 -0.254 0.000 1.031 138 Q CA -0.474 55.192 55.803 -0.229 0.000 0.804 138 Q CB 1.518 30.157 28.738 -0.165 0.000 1.286 138 Q HN 0.612 nan 8.270 nan 0.000 0.448 139 T N 4.952 119.524 114.554 0.029 0.000 2.772 139 T HA 0.445 4.811 4.350 0.027 0.000 0.288 139 T C -0.602 174.210 174.700 0.187 0.000 0.994 139 T CA -0.622 61.595 62.100 0.195 0.000 0.951 139 T CB 0.454 69.582 68.868 0.434 0.000 0.933 139 T HN 0.625 nan 8.240 nan 0.000 0.447 140 R N 2.939 123.536 120.500 0.162 0.000 2.832 140 R HA 0.770 5.126 4.340 0.027 0.000 0.271 140 R C -0.979 175.418 176.300 0.161 0.000 0.996 140 R CA -0.974 55.221 56.100 0.158 0.000 0.977 140 R CB 1.438 31.806 30.300 0.114 0.000 1.168 140 R HN 0.555 nan 8.270 nan 0.000 0.482 141 I N 2.331 122.994 120.570 0.156 0.000 2.437 141 I HA 0.421 4.607 4.170 0.027 0.000 0.298 141 I C -1.071 175.084 176.117 0.063 0.000 0.984 141 I CA -1.197 60.139 61.300 0.060 0.000 1.214 141 I CB 1.237 39.260 38.000 0.038 0.000 1.365 141 I HN 0.617 nan 8.210 nan 0.000 0.469 142 I N 7.435 127.944 120.570 -0.102 0.000 2.439 142 I HA 0.288 4.474 4.170 0.027 0.000 0.285 142 I C -1.273 174.711 176.117 -0.222 0.000 1.021 142 I CA -0.318 60.946 61.300 -0.059 0.000 1.091 142 I CB 1.425 39.403 38.000 -0.038 0.000 1.242 142 I HN 0.394 nan 8.210 nan 0.000 0.439 143 F N 4.660 124.608 119.950 -0.002 0.000 2.308 143 F HA 0.271 4.814 4.527 0.027 0.000 0.370 143 F C 1.322 177.023 175.800 -0.165 0.000 1.100 143 F CA -0.454 57.474 58.000 -0.120 0.000 1.108 143 F CB 0.820 39.722 39.000 -0.164 0.000 1.293 143 F HN 0.469 nan 8.300 nan 0.000 0.478 144 D N 2.386 122.720 120.400 -0.109 0.000 2.218 144 D HA 0.009 4.666 4.640 0.027 0.000 0.204 144 D C 1.012 177.151 176.300 -0.269 0.000 0.976 144 D CA 0.975 54.856 54.000 -0.198 0.000 0.853 144 D CB 0.352 40.975 40.800 -0.295 0.000 0.939 144 D HN 0.620 nan 8.370 nan 0.000 0.481 145 G N -0.480 108.096 108.800 -0.374 0.000 2.659 145 G HA2 0.447 4.423 3.960 0.027 0.000 0.291 145 G HA3 0.447 4.423 3.960 0.027 0.000 0.291 145 G C -1.460 173.164 174.900 -0.461 0.000 1.379 145 G CA -0.417 44.340 45.100 -0.570 0.000 1.254 145 G HN -0.055 nan 8.290 nan 0.000 0.590 146 V N 2.503 122.368 119.914 -0.082 0.000 2.569 146 V HA 0.520 4.656 4.120 0.027 0.000 0.301 146 V C -0.871 175.319 176.094 0.160 0.000 1.044 146 V CA -1.203 61.063 62.300 -0.057 0.000 0.874 146 V CB 1.969 33.508 31.823 -0.473 0.000 1.002 146 V HN 0.685 nan 8.190 nan 0.000 0.424 147 N N 2.368 121.154 118.700 0.143 0.000 2.446 147 N HA 0.327 5.083 4.740 0.027 0.000 0.265 147 N C 0.656 176.108 175.510 -0.098 0.000 0.975 147 N CA 0.208 53.253 53.050 -0.008 0.000 0.928 147 N CB 2.186 40.517 38.487 -0.261 0.000 1.160 147 N HN 0.722 nan 8.380 nan 0.000 0.495 148 S N 1.915 117.592 115.700 -0.037 0.000 2.520 148 S HA 0.556 5.042 4.470 0.027 0.000 0.219 148 S C 0.358 175.027 174.600 0.114 0.000 1.028 148 S CA 0.070 58.298 58.200 0.047 0.000 0.921 148 S CB 0.373 63.612 63.200 0.065 0.000 0.844 148 S HN 0.622 nan 8.310 nan 0.000 0.495 149 A N 0.746 123.647 122.820 0.135 0.000 2.612 149 A HA 0.783 5.120 4.320 0.027 0.000 0.293 149 A C -1.317 176.360 177.584 0.154 0.000 1.075 149 A CA -0.966 51.108 52.037 0.060 0.000 0.680 149 A CB 0.836 19.911 19.000 0.124 0.000 1.279 149 A HN 1.103 nan 8.150 nan 0.000 0.411 150 F N -0.894 118.870 119.950 -0.309 0.000 2.719 150 F HA 0.742 5.285 4.527 0.027 0.000 0.309 150 F C -1.143 174.545 175.800 -0.185 0.000 1.138 150 F CA -0.802 57.116 58.000 -0.136 0.000 0.943 150 F CB 1.079 39.989 39.000 -0.150 0.000 1.304 150 F HN 0.640 nan 8.300 nan 0.000 0.445 151 H N 1.579 120.810 119.070 0.270 0.000 2.529 151 H HA 0.746 5.318 4.556 0.027 0.000 0.348 151 H C -1.513 173.814 175.328 -0.002 0.000 1.152 151 H CA -0.751 55.346 56.048 0.083 0.000 1.202 151 H CB 2.533 32.360 29.762 0.107 0.000 1.562 151 H HN 0.755 nan 8.280 nan 0.000 0.515 152 L N 2.491 123.527 121.223 -0.312 0.000 2.386 152 L HA 0.407 4.763 4.340 0.027 0.000 0.271 152 L C -1.621 174.960 176.870 -0.483 0.000 0.993 152 L CA -0.546 54.164 54.840 -0.217 0.000 0.819 152 L CB 1.547 43.315 42.059 -0.486 0.000 1.294 152 L HN 0.527 nan 8.230 nan 0.000 0.414 153 W N 4.084 125.362 121.300 -0.036 0.000 2.864 153 W HA 0.636 5.312 4.660 0.027 0.000 0.343 153 W C -1.120 175.351 176.519 -0.080 0.000 1.109 153 W CA -0.778 56.533 57.345 -0.057 0.000 1.192 153 W CB 2.098 31.561 29.460 0.004 0.000 1.426 153 W HN 0.620 nan 8.180 nan 0.000 0.529 154 C N 4.163 123.562 119.300 0.166 0.000 2.481 154 C HA 0.294 4.770 4.460 0.027 0.000 0.324 154 C C 0.220 175.343 174.990 0.222 0.000 1.170 154 C CA -0.367 58.743 59.018 0.153 0.000 1.361 154 C CB -0.318 27.456 27.740 0.057 0.000 1.977 154 C HN 0.825 nan 8.230 nan 0.000 0.459 155 N N 3.382 122.166 118.700 0.141 0.000 2.721 155 N HA -0.190 4.566 4.740 0.027 0.000 0.249 155 N C 0.957 176.533 175.510 0.110 0.000 1.072 155 N CA 2.140 55.247 53.050 0.094 0.000 0.710 155 N CB -1.336 37.208 38.487 0.096 0.000 0.993 155 N HN 1.914 nan 8.380 nan 0.000 0.547 156 G N -1.211 107.653 108.800 0.108 0.000 2.179 156 G HA2 -0.365 3.611 3.960 0.027 0.000 0.260 156 G HA3 -0.365 3.611 3.960 0.027 0.000 0.260 156 G C 0.112 175.189 174.900 0.294 0.000 0.977 156 G CA 0.620 45.779 45.100 0.099 0.000 0.641 156 G HN 0.550 nan 8.290 nan 0.000 0.533 157 R N -0.941 119.799 120.500 0.400 0.000 2.407 157 R HA 0.451 4.807 4.340 0.027 0.000 0.303 157 R C -0.153 176.478 176.300 0.551 0.000 0.981 157 R CA -0.841 55.562 56.100 0.504 0.000 0.905 157 R CB 1.120 31.729 30.300 0.516 0.000 1.099 157 R HN 0.229 nan 8.270 nan 0.000 0.459 158 W N 3.428 124.897 121.300 0.283 0.000 2.190 158 W HA 0.115 4.791 4.660 0.027 0.000 0.330 158 W C 0.016 176.448 176.519 -0.145 0.000 1.299 158 W CA -0.002 57.201 57.345 -0.236 0.000 1.215 158 W CB 0.724 30.010 29.460 -0.290 0.000 1.147 158 W HN 0.312 nan 8.180 nan 0.000 0.563 159 V N 4.759 123.924 119.914 -1.249 0.000 2.743 159 V HA 0.547 4.683 4.120 0.027 0.000 0.237 159 V C 0.978 176.098 176.094 -1.623 0.000 1.113 159 V CA 0.983 62.520 62.300 -1.270 0.000 1.141 159 V CB -0.254 30.846 31.823 -1.205 0.000 0.873 159 V HN 0.845 nan 8.190 nan 0.000 0.486 160 G N -1.739 105.880 108.800 -1.968 0.000 2.427 160 G HA2 0.470 4.447 3.960 0.027 0.000 0.306 160 G HA3 0.470 4.447 3.960 0.027 0.000 0.306 160 G C -2.434 172.093 174.900 -0.622 0.000 1.280 160 G CA -0.237 44.106 45.100 -1.263 0.000 0.837 160 G HN 0.014 nan 8.290 nan 0.000 0.482 161 Y N -0.564 119.542 120.300 -0.325 0.000 2.571 161 Y HA 0.707 5.274 4.550 0.027 0.000 0.341 161 Y C -0.081 175.600 175.900 -0.365 0.000 1.076 161 Y CA -0.043 57.802 58.100 -0.425 0.000 1.029 161 Y CB 2.218 40.579 38.460 -0.164 0.000 1.308 161 Y HN 1.248 nan 8.280 nan 0.000 0.461 162 G N 3.425 111.288 108.800 -1.563 0.000 2.718 162 G HA2 0.599 4.575 3.960 0.027 0.000 0.295 162 G HA3 0.599 4.575 3.960 0.027 0.000 0.295 162 G C -2.131 172.270 174.900 -0.832 0.000 1.421 162 G CA -0.877 43.644 45.100 -0.966 0.000 0.902 162 G HN 0.627 nan 8.290 nan 0.000 0.501 163 Q N -0.360 119.238 119.800 -0.338 0.000 2.668 163 Q HA 0.575 4.931 4.340 0.027 0.000 0.298 163 Q C -1.408 174.592 176.000 0.000 0.000 1.071 163 Q CA -0.876 54.862 55.803 -0.109 0.000 0.789 163 Q CB 2.690 31.424 28.738 -0.005 0.000 1.497 163 Q HN 0.673 nan 8.270 nan 0.000 0.460 164 D N -0.069 120.370 120.400 0.065 0.000 4.535 164 D HA -0.102 4.554 4.640 0.027 0.000 0.236 164 D C -0.542 175.823 176.300 0.108 0.000 1.142 164 D CA 0.523 54.577 54.000 0.090 0.000 1.102 164 D CB -0.661 40.177 40.800 0.062 0.000 0.703 164 D HN 0.542 nan 8.370 nan 0.000 0.331 165 S N 3.209 118.987 115.700 0.131 0.000 2.584 165 S HA -0.078 4.408 4.470 0.027 0.000 0.240 165 S C 1.529 176.256 174.600 0.212 0.000 0.975 165 S CA 0.557 58.863 58.200 0.177 0.000 0.949 165 S CB 0.208 63.485 63.200 0.128 0.000 0.761 165 S HN 0.450 nan 8.310 nan 0.000 0.536 166 R N 0.082 120.671 120.500 0.148 0.000 2.565 166 R HA 0.432 4.788 4.340 0.027 0.000 0.347 166 R C -0.451 175.906 176.300 0.096 0.000 1.010 166 R CA 0.047 56.234 56.100 0.144 0.000 1.126 166 R CB 0.188 30.594 30.300 0.176 0.000 1.331 166 R HN 0.320 nan 8.270 nan 0.000 0.552 167 L N 1.439 122.693 121.223 0.051 0.000 2.350 167 L HA 0.530 4.887 4.340 0.027 0.000 0.260 167 L C -2.351 174.500 176.870 -0.032 0.000 1.015 167 L CA -2.246 52.593 54.840 -0.001 0.000 0.821 167 L CB 2.934 44.984 42.059 -0.016 0.000 1.370 167 L HN -0.195 nan 8.230 nan 0.000 0.416 168 P HA 0.122 nan 4.420 nan 0.000 0.275 168 P C -1.052 176.215 177.300 -0.056 0.000 1.227 168 P CA -0.272 62.786 63.100 -0.070 0.000 0.781 168 P CB 1.211 32.833 31.700 -0.131 0.000 0.906 169 S N 1.962 117.690 115.700 0.046 0.000 2.456 169 S HA 0.296 4.782 4.470 0.027 0.000 0.316 169 S C -0.351 174.219 174.600 -0.050 0.000 1.089 169 S CA -0.589 57.605 58.200 -0.010 0.000 1.101 169 S CB 0.758 64.094 63.200 0.228 0.000 0.995 169 S HN 0.367 nan 8.310 nan 0.000 0.468 170 E N 2.127 122.098 120.200 -0.381 0.000 2.212 170 E HA 0.581 4.948 4.350 0.027 0.000 0.268 170 E C -1.367 174.827 176.600 -0.678 0.000 0.902 170 E CA -0.573 55.662 56.400 -0.275 0.000 0.779 170 E CB 1.616 31.269 29.700 -0.078 0.000 1.172 170 E HN 0.410 nan 8.360 nan 0.000 0.409 171 F N 0.556 120.559 119.950 0.089 0.000 2.565 171 F HA 0.195 4.738 4.527 0.027 0.000 0.313 171 F C 0.004 175.827 175.800 0.039 0.000 1.091 171 F CA -1.128 56.889 58.000 0.027 0.000 0.915 171 F CB 1.614 40.598 39.000 -0.027 0.000 1.208 171 F HN 0.290 nan 8.300 nan 0.000 0.453 172 D N 2.858 123.388 120.400 0.217 0.000 2.325 172 D HA 0.222 4.879 4.640 0.027 0.000 0.251 172 D C 0.256 176.697 176.300 0.234 0.000 1.196 172 D CA 0.322 54.434 54.000 0.186 0.000 0.866 172 D CB 0.929 41.822 40.800 0.154 0.000 1.101 172 D HN 0.562 nan 8.370 nan 0.000 0.476 173 L N 2.783 124.149 121.223 0.238 0.000 2.728 173 L HA 0.046 4.402 4.340 0.027 0.000 0.238 173 L C 2.051 179.152 176.870 0.384 0.000 1.143 173 L CA -0.174 54.847 54.840 0.302 0.000 0.937 173 L CB 0.107 42.305 42.059 0.232 0.000 1.225 173 L HN 0.261 nan 8.230 nan 0.000 0.507 174 S N 1.412 117.283 115.700 0.285 0.000 2.380 174 S HA -0.255 4.231 4.470 0.027 0.000 0.229 174 S C 2.064 176.772 174.600 0.179 0.000 1.043 174 S CA 1.752 60.078 58.200 0.211 0.000 1.038 174 S CB -0.136 63.145 63.200 0.135 0.000 0.872 174 S HN 0.558 nan 8.310 nan 0.000 0.456 175 A N -0.459 122.460 122.820 0.165 0.000 2.208 175 A HA 0.315 4.651 4.320 0.027 0.000 0.209 175 A C 1.301 178.783 177.584 -0.170 0.000 1.161 175 A CA 0.387 52.397 52.037 -0.045 0.000 0.782 175 A CB -0.415 18.462 19.000 -0.204 0.000 0.816 175 A HN 0.482 nan 8.150 nan 0.000 0.477 176 F N -0.897 119.096 119.950 0.071 0.000 2.717 176 F HA 0.388 4.931 4.527 0.027 0.000 0.297 176 F C 0.669 176.505 175.800 0.061 0.000 1.113 176 F CA -0.118 57.923 58.000 0.068 0.000 1.319 176 F CB 0.129 39.176 39.000 0.079 0.000 1.097 176 F HN -0.028 nan 8.300 nan 0.000 0.595 177 L N 0.936 122.303 121.223 0.240 0.000 2.400 177 L HA 0.551 4.907 4.340 0.027 0.000 0.264 177 L C 0.192 177.102 176.870 0.066 0.000 1.061 177 L CA -0.887 54.035 54.840 0.137 0.000 0.799 177 L CB 1.297 43.452 42.059 0.159 0.000 1.240 177 L HN -0.027 nan 8.230 nan 0.000 0.461 178 R N 1.046 121.547 120.500 0.002 0.000 2.808 178 R HA 0.760 5.117 4.340 0.027 0.000 0.272 178 R C -1.154 175.120 176.300 -0.044 0.000 0.995 178 R CA -0.775 55.318 56.100 -0.012 0.000 0.917 178 R CB 1.645 31.931 30.300 -0.023 0.000 1.217 178 R HN 0.579 nan 8.270 nan 0.000 0.471 179 A N 1.188 123.992 122.820 -0.027 0.000 2.483 179 A HA 0.479 4.815 4.320 0.027 0.000 0.238 179 A C 1.034 178.568 177.584 -0.082 0.000 1.070 179 A CA 1.153 53.163 52.037 -0.045 0.000 0.770 179 A CB -0.644 18.343 19.000 -0.021 0.000 1.008 179 A HN 1.467 nan 8.150 nan 0.000 0.497 180 G N 1.102 109.836 108.800 -0.109 0.000 2.488 180 G HA2 -0.127 3.850 3.960 0.027 0.000 0.237 180 G HA3 -0.127 3.850 3.960 0.027 0.000 0.237 180 G C -0.314 174.468 174.900 -0.197 0.000 1.209 180 G CA -0.023 45.001 45.100 -0.126 0.000 0.929 180 G HN 0.974 nan 8.290 nan 0.000 0.578 181 E N 1.855 121.947 120.200 -0.181 0.000 2.373 181 E HA 0.341 4.708 4.350 0.027 0.000 0.267 181 E C 0.115 176.529 176.600 -0.310 0.000 1.032 181 E CA -0.002 56.250 56.400 -0.248 0.000 0.889 181 E CB 0.663 30.264 29.700 -0.166 0.000 0.984 181 E HN 0.481 nan 8.360 nan 0.000 0.425 182 N N 1.850 120.232 118.700 -0.529 0.000 2.357 182 N HA 0.367 5.123 4.740 0.027 0.000 0.284 182 N C -0.801 174.473 175.510 -0.393 0.000 1.236 182 N CA -0.681 52.060 53.050 -0.516 0.000 0.774 182 N CB 2.676 40.657 38.487 -0.843 0.000 1.534 182 N HN 0.234 nan 8.380 nan 0.000 0.478 183 R N 1.549 121.977 120.500 -0.120 0.000 2.476 183 R HA 0.488 4.844 4.340 0.027 0.000 0.305 183 R C -1.117 175.264 176.300 0.135 0.000 0.965 183 R CA -0.459 55.656 56.100 0.024 0.000 0.867 183 R CB 0.884 31.157 30.300 -0.045 0.000 1.176 183 R HN 0.485 nan 8.270 nan 0.000 0.447 184 L N 2.937 124.291 121.223 0.217 0.000 2.360 184 L HA 0.766 5.122 4.340 0.027 0.000 0.271 184 L C -0.227 176.713 176.870 0.117 0.000 1.057 184 L CA -0.983 53.974 54.840 0.196 0.000 0.803 184 L CB 1.896 44.059 42.059 0.174 0.000 1.207 184 L HN 0.747 nan 8.230 nan 0.000 0.445 185 A N 2.473 125.379 122.820 0.142 0.000 2.375 185 A HA 0.727 5.063 4.320 0.027 0.000 0.295 185 A C -1.124 176.746 177.584 0.476 0.000 1.066 185 A CA -0.434 51.612 52.037 0.016 0.000 0.722 185 A CB 1.594 20.104 19.000 -0.818 0.000 1.206 185 A HN 0.357 nan 8.150 nan 0.000 0.435 186 V N 3.309 123.651 119.914 0.713 0.000 2.444 186 V HA 0.482 4.618 4.120 0.027 0.000 0.294 186 V C -0.038 176.567 176.094 0.852 0.000 1.022 186 V CA -0.316 62.399 62.300 0.691 0.000 0.850 186 V CB 1.567 33.605 31.823 0.357 0.000 0.992 186 V HN 0.962 nan 8.190 nan 0.000 0.426 187 M N 6.035 126.162 119.600 0.878 0.000 2.061 187 M HA 0.558 5.055 4.480 0.027 0.000 0.346 187 M C -1.441 175.120 176.300 0.435 0.000 1.112 187 M CA -0.322 55.332 55.300 0.590 0.000 1.021 187 M CB 1.016 33.990 32.600 0.624 0.000 1.530 187 M HN 0.488 nan 8.290 nan 0.000 0.437 188 V N 6.710 126.838 119.914 0.357 0.000 2.398 188 V HA 0.419 4.555 4.120 0.027 0.000 0.286 188 V C -0.048 176.220 176.094 0.290 0.000 1.026 188 V CA -0.740 61.779 62.300 0.365 0.000 0.868 188 V CB 1.556 33.676 31.823 0.495 0.000 0.982 188 V HN 0.795 nan 8.190 nan 0.000 0.443 189 L N 4.720 126.048 121.223 0.175 0.000 2.292 189 L HA 0.516 4.872 4.340 0.027 0.000 0.284 189 L C 1.520 178.418 176.870 0.047 0.000 1.065 189 L CA -0.413 54.457 54.840 0.050 0.000 0.806 189 L CB 1.330 43.338 42.059 -0.085 0.000 1.175 189 L HN 0.675 nan 8.230 nan 0.000 0.431 190 R N 2.743 123.220 120.500 -0.039 0.000 2.066 190 R HA -0.042 4.314 4.340 0.027 0.000 0.232 190 R C -0.330 175.667 176.300 -0.506 0.000 1.131 190 R CA 1.303 57.140 56.100 -0.438 0.000 0.955 190 R CB 0.221 30.105 30.300 -0.694 0.000 0.851 190 R HN 0.569 nan 8.270 nan 0.000 0.432 191 W N 0.099 121.462 121.300 0.105 0.000 2.689 191 W HA 0.413 5.089 4.660 0.026 0.000 0.340 191 W C -0.365 176.267 176.519 0.188 0.000 1.060 191 W CA -0.825 56.589 57.345 0.115 0.000 1.218 191 W CB 1.859 31.388 29.460 0.114 0.000 1.410 191 W HN 0.053 nan 8.180 nan 0.000 0.528 192 S N -1.131 114.850 115.700 0.469 0.000 2.688 192 S HA 0.220 4.706 4.470 0.027 0.000 0.275 192 S C 0.045 174.901 174.600 0.427 0.000 1.175 192 S CA -0.464 58.027 58.200 0.485 0.000 0.818 192 S CB 1.200 64.662 63.200 0.437 0.000 1.157 192 S HN 0.623 nan 8.310 nan 0.000 0.482 193 D N 0.246 120.906 120.400 0.433 0.000 2.264 193 D HA 0.094 4.750 4.640 0.027 0.000 0.208 193 D C 1.752 178.381 176.300 0.548 0.000 0.966 193 D CA 1.017 55.337 54.000 0.534 0.000 0.864 193 D CB -0.658 40.323 40.800 0.303 0.000 0.933 193 D HN 0.687 nan 8.370 nan 0.000 0.499 194 G N 0.193 109.223 108.800 0.385 0.000 2.448 194 G HA2 -0.258 3.718 3.960 0.027 0.000 0.219 194 G HA3 -0.258 3.718 3.960 0.027 0.000 0.219 194 G C 1.699 176.791 174.900 0.320 0.000 1.127 194 G CA 0.675 45.974 45.100 0.333 0.000 0.766 194 G HN 0.300 nan 8.290 nan 0.000 0.552 195 S N -0.084 115.790 115.700 0.290 0.000 2.419 195 S HA -0.109 4.377 4.470 0.027 0.000 0.233 195 S C 1.883 176.598 174.600 0.192 0.000 1.016 195 S CA 0.685 59.028 58.200 0.239 0.000 0.974 195 S CB -0.417 62.931 63.200 0.247 0.000 0.786 195 S HN 0.560 nan 8.310 nan 0.000 0.492 196 Y N 1.174 121.611 120.300 0.229 0.000 2.403 196 Y HA 0.012 4.578 4.550 0.027 0.000 0.291 196 Y C 1.603 177.626 175.900 0.205 0.000 1.143 196 Y CA 0.683 58.845 58.100 0.104 0.000 1.257 196 Y CB -0.206 38.185 38.460 -0.116 0.000 0.984 196 Y HN 0.211 nan 8.280 nan 0.000 0.550 197 L N -0.438 120.993 121.223 0.346 0.000 2.667 197 L HA 0.125 4.482 4.340 0.027 0.000 0.232 197 L C 0.026 177.044 176.870 0.246 0.000 1.138 197 L CA 0.357 55.352 54.840 0.260 0.000 0.921 197 L CB 0.126 42.338 42.059 0.256 0.000 1.180 197 L HN 0.124 nan 8.230 nan 0.000 0.487 198 E N -0.050 120.309 120.200 0.266 0.000 3.846 198 E HA 0.050 4.416 4.350 0.027 0.000 0.216 198 E C -0.502 176.215 176.600 0.196 0.000 1.092 198 E CA -0.067 56.472 56.400 0.232 0.000 1.370 198 E CB 0.514 30.341 29.700 0.212 0.000 1.227 198 E HN 0.021 nan 8.360 nan 0.000 0.442 199 D N 1.095 121.568 120.400 0.122 0.000 2.561 199 D HA 0.027 4.683 4.640 0.027 0.000 0.232 199 D C -0.170 176.139 176.300 0.016 0.000 1.198 199 D CA -0.099 53.863 54.000 -0.063 0.000 0.826 199 D CB 0.188 40.703 40.800 -0.475 0.000 0.992 199 D HN 0.069 nan 8.370 nan 0.000 0.490 200 Q N 0.504 120.406 119.800 0.169 0.000 2.395 200 Q HA 0.089 4.445 4.340 0.027 0.000 0.271 200 Q C -0.086 176.052 176.000 0.229 0.000 1.026 200 Q CA 0.182 56.153 55.803 0.280 0.000 0.900 200 Q CB 0.523 29.584 28.738 0.538 0.000 1.266 200 Q HN 0.045 nan 8.270 nan 0.000 0.430 201 D N 3.042 123.600 120.400 0.263 0.000 2.441 201 D HA 0.168 4.824 4.640 0.027 0.000 0.243 201 D C -0.776 175.698 176.300 0.290 0.000 1.257 201 D CA 0.176 54.320 54.000 0.240 0.000 1.027 201 D CB -0.444 40.513 40.800 0.262 0.000 1.084 201 D HN 0.494 nan 8.370 nan 0.000 0.514 202 M N 0.573 120.317 119.600 0.241 0.000 2.895 202 M HA 0.357 4.853 4.480 0.027 0.000 0.271 202 M C -1.343 175.075 176.300 0.196 0.000 1.174 202 M CA -1.148 54.222 55.300 0.116 0.000 0.816 202 M CB 1.011 33.624 32.600 0.023 0.000 1.647 202 M HN -0.079 nan 8.290 nan 0.000 0.506 203 W N 2.107 123.513 121.300 0.178 0.000 2.257 203 W HA 0.276 4.952 4.660 0.027 0.000 0.337 203 W C 0.306 176.857 176.519 0.054 0.000 1.321 203 W CA -0.090 57.347 57.345 0.153 0.000 1.267 203 W CB 0.378 29.863 29.460 0.041 0.000 1.187 203 W HN 0.305 nan 8.180 nan 0.000 0.565 204 R N 4.938 125.632 120.500 0.324 0.000 2.198 204 R HA 0.434 4.790 4.340 0.027 0.000 0.339 204 R C -0.093 176.215 176.300 0.013 0.000 1.020 204 R CA -0.246 55.950 56.100 0.160 0.000 0.864 204 R CB 0.369 30.828 30.300 0.265 0.000 1.105 204 R HN 0.557 nan 8.270 nan 0.000 0.463 205 M N 0.298 119.793 119.600 -0.175 0.000 2.752 205 M HA 0.512 5.008 4.480 0.027 0.000 0.285 205 M C -0.034 175.912 176.300 -0.591 0.000 1.140 205 M CA -0.819 54.257 55.300 -0.374 0.000 0.767 205 M CB 2.275 34.652 32.600 -0.371 0.000 1.736 205 M HN 0.677 nan 8.290 nan 0.000 0.452 206 S N -1.244 113.974 115.700 -0.804 0.000 2.611 206 S HA 0.936 5.422 4.470 0.027 0.000 0.268 206 S C -0.621 173.474 174.600 -0.842 0.000 1.156 206 S CA -0.164 57.493 58.200 -0.905 0.000 0.817 206 S CB 1.759 64.241 63.200 -1.197 0.000 1.122 206 S HN 1.468 nan 8.310 nan 0.000 0.466 207 G N -0.106 108.446 108.800 -0.414 0.000 2.331 207 G HA2 0.194 4.170 3.960 0.027 0.000 0.402 207 G HA3 0.194 4.170 3.960 0.027 0.000 0.402 207 G C -1.506 173.409 174.900 0.024 0.000 1.275 207 G CA -0.599 44.554 45.100 0.089 0.000 1.003 207 G HN 1.182 nan 8.290 nan 0.000 0.500 208 I N 1.968 122.402 120.570 -0.227 0.000 2.276 208 I HA 0.300 4.486 4.170 0.027 0.000 0.290 208 I C 1.035 177.004 176.117 -0.246 0.000 1.109 208 I CA -0.288 60.764 61.300 -0.413 0.000 1.229 208 I CB -0.058 37.416 38.000 -0.877 0.000 1.452 208 I HN 0.521 nan 8.210 nan 0.000 0.497 209 F N 4.222 124.015 119.950 -0.261 0.000 2.695 209 F HA 0.473 5.016 4.527 0.026 0.000 0.303 209 F C 0.655 176.370 175.800 -0.142 0.000 1.091 209 F CA -0.572 57.309 58.000 -0.198 0.000 1.300 209 F CB 0.134 39.023 39.000 -0.185 0.000 1.071 209 F HN 0.125 nan 8.300 nan 0.000 0.578 210 R N 0.688 120.704 120.500 -0.806 0.000 2.919 210 R HA 0.245 4.601 4.340 0.027 0.000 0.260 210 R C -0.648 175.432 176.300 -0.366 0.000 1.067 210 R CA -1.149 54.610 56.100 -0.569 0.000 1.003 210 R CB 0.804 30.707 30.300 -0.661 0.000 1.192 210 R HN 0.002 nan 8.270 nan 0.000 0.488 211 D N 0.789 121.024 120.400 -0.274 0.000 2.419 211 D HA 0.092 4.748 4.640 0.027 0.000 0.236 211 D C -0.386 175.775 176.300 -0.231 0.000 1.165 211 D CA 0.468 54.349 54.000 -0.198 0.000 0.882 211 D CB 0.741 41.459 40.800 -0.136 0.000 1.201 211 D HN -0.012 nan 8.370 nan 0.000 0.443 212 V N 0.757 120.545 119.914 -0.211 0.000 2.588 212 V HA 0.562 4.698 4.120 0.027 0.000 0.304 212 V C 0.040 176.012 176.094 -0.204 0.000 1.042 212 V CA -0.599 61.515 62.300 -0.310 0.000 0.877 212 V CB 1.769 33.398 31.823 -0.324 0.000 0.996 212 V HN 0.783 nan 8.190 nan 0.000 0.425 213 S N 4.327 119.884 115.700 -0.237 0.000 2.638 213 S HA 0.838 5.324 4.470 0.027 0.000 0.274 213 S C -1.407 173.137 174.600 -0.094 0.000 1.157 213 S CA -0.910 57.217 58.200 -0.122 0.000 0.826 213 S CB 1.883 65.049 63.200 -0.056 0.000 1.139 213 S HN 0.487 nan 8.310 nan 0.000 0.474 214 L N 1.370 122.601 121.223 0.013 0.000 2.341 214 L HA 0.691 5.047 4.340 0.027 0.000 0.278 214 L C -1.460 175.580 176.870 0.284 0.000 1.005 214 L CA -0.902 54.021 54.840 0.137 0.000 0.818 214 L CB 1.783 43.938 42.059 0.161 0.000 1.259 214 L HN 0.716 nan 8.230 nan 0.000 0.418 215 L N 3.366 124.743 121.223 0.257 0.000 2.362 215 L HA 0.464 4.820 4.340 0.027 0.000 0.275 215 L C -0.714 176.198 176.870 0.070 0.000 0.998 215 L CA -0.132 54.813 54.840 0.174 0.000 0.820 215 L CB 1.466 43.584 42.059 0.097 0.000 1.270 215 L HN 0.482 nan 8.230 nan 0.000 0.415 216 H N 5.292 124.158 119.070 -0.339 0.000 2.488 216 H HA 0.468 5.040 4.556 0.027 0.000 0.322 216 H C -1.213 173.903 175.328 -0.352 0.000 1.078 216 H CA -0.533 55.182 56.048 -0.554 0.000 1.260 216 H CB 1.095 30.037 29.762 -1.367 0.000 1.425 216 H HN 0.538 nan 8.280 nan 0.000 0.471 217 K N 5.405 125.440 120.400 -0.608 0.000 2.328 217 K HA 0.385 4.721 4.320 0.027 0.000 0.246 217 K C -2.683 173.630 176.600 -0.478 0.000 0.955 217 K CA -2.021 54.026 56.287 -0.399 0.000 0.817 217 K CB 2.092 34.426 32.500 -0.276 0.000 1.208 217 K HN 0.482 nan 8.250 nan 0.000 0.432 218 P HA 0.174 nan 4.420 nan 0.000 0.274 218 P C 0.513 177.722 177.300 -0.151 0.000 1.256 218 P CA -0.208 62.801 63.100 -0.151 0.000 0.795 218 P CB 0.481 32.144 31.700 -0.062 0.000 1.038 219 T N -1.320 113.176 114.554 -0.096 0.000 2.746 219 T HA -0.054 4.312 4.350 0.027 0.000 0.267 219 T C 0.599 175.252 174.700 -0.079 0.000 1.039 219 T CA 1.591 63.643 62.100 -0.080 0.000 1.142 219 T CB -0.653 68.188 68.868 -0.045 0.000 0.866 219 T HN 0.422 nan 8.240 nan 0.000 0.444 220 T N 3.725 118.240 114.554 -0.065 0.000 2.728 220 T HA 0.449 4.815 4.350 0.027 0.000 0.296 220 T C -0.196 174.455 174.700 -0.082 0.000 0.940 220 T CA -0.584 61.470 62.100 -0.076 0.000 1.013 220 T CB 0.580 69.420 68.868 -0.047 0.000 0.912 220 T HN 0.489 nan 8.240 nan 0.000 0.484 221 Q N 2.389 122.124 119.800 -0.108 0.000 2.511 221 Q HA 0.599 4.955 4.340 0.027 0.000 0.289 221 Q C -1.291 174.639 176.000 -0.116 0.000 1.021 221 Q CA -1.151 54.578 55.803 -0.123 0.000 0.785 221 Q CB 1.309 29.948 28.738 -0.167 0.000 1.472 221 Q HN 0.461 nan 8.270 nan 0.000 0.411 222 I N 2.633 123.108 120.570 -0.158 0.000 2.379 222 I HA 0.034 4.220 4.170 0.027 0.000 0.290 222 I C 0.747 176.737 176.117 -0.210 0.000 1.063 222 I CA 0.043 61.268 61.300 -0.125 0.000 1.351 222 I CB 1.073 38.963 38.000 -0.185 0.000 1.410 222 I HN 0.889 nan 8.210 nan 0.000 0.505 223 S N 2.732 118.432 115.700 0.000 0.000 2.502 223 S HA 0.210 4.696 4.470 0.027 0.000 0.215 223 S C 0.219 175.036 174.600 0.361 0.000 1.009 223 S CA -0.240 58.032 58.200 0.120 0.000 0.908 223 S CB 0.348 63.580 63.200 0.055 0.000 0.801 223 S HN 0.675 nan 8.310 nan 0.000 0.505 224 D N -0.208 120.399 120.400 0.344 0.000 2.685 224 D HA 0.533 5.189 4.640 0.027 0.000 0.236 224 D C -1.941 174.567 176.300 0.347 0.000 1.233 224 D CA -0.670 53.535 54.000 0.343 0.000 0.760 224 D CB 1.875 42.760 40.800 0.141 0.000 1.410 224 D HN 0.226 nan 8.370 nan 0.000 0.439 225 F N -0.402 119.643 119.950 0.157 0.000 2.622 225 F HA 0.577 5.120 4.527 0.027 0.000 0.318 225 F C -1.553 174.368 175.800 0.201 0.000 1.135 225 F CA -0.724 57.319 58.000 0.072 0.000 1.015 225 F CB 1.145 40.204 39.000 0.099 0.000 1.275 225 F HN 0.229 nan 8.300 nan 0.000 0.457 226 H N 2.302 121.422 119.070 0.083 0.000 2.538 226 H HA 0.774 5.347 4.556 0.027 0.000 0.353 226 H C -1.272 174.090 175.328 0.056 0.000 1.109 226 H CA -1.527 54.508 56.048 -0.023 0.000 1.192 226 H CB 2.778 32.520 29.762 -0.034 0.000 1.555 226 H HN 0.600 nan 8.280 nan 0.000 0.518 227 V N 2.136 122.136 119.914 0.144 0.000 2.540 227 V HA 0.646 4.782 4.120 0.027 0.000 0.302 227 V C -0.371 175.711 176.094 -0.019 0.000 1.035 227 V CA -0.544 61.797 62.300 0.069 0.000 0.873 227 V CB 1.384 33.238 31.823 0.051 0.000 0.992 227 V HN 0.922 nan 8.190 nan 0.000 0.428 228 A N 3.184 125.971 122.820 -0.054 0.000 2.413 228 A HA 0.967 5.303 4.320 0.027 0.000 0.307 228 A C -0.198 177.282 177.584 -0.174 0.000 1.087 228 A CA -0.519 51.464 52.037 -0.089 0.000 0.750 228 A CB 2.064 21.035 19.000 -0.048 0.000 1.296 228 A HN 0.922 nan 8.150 nan 0.000 0.423 229 T N -0.423 114.013 114.554 -0.197 0.000 2.840 229 T HA 0.698 5.064 4.350 0.027 0.000 0.287 229 T C -0.476 174.017 174.700 -0.344 0.000 0.991 229 T CA -0.821 61.075 62.100 -0.341 0.000 0.964 229 T CB 0.958 69.525 68.868 -0.502 0.000 0.954 229 T HN 0.967 nan 8.240 nan 0.000 0.438 230 R N 2.032 122.254 120.500 -0.464 0.000 2.711 230 R HA 0.813 5.170 4.340 0.027 0.000 0.284 230 R C -1.622 174.311 176.300 -0.611 0.000 0.968 230 R CA -0.935 54.962 56.100 -0.338 0.000 0.924 230 R CB 1.272 31.494 30.300 -0.130 0.000 1.162 230 R HN 0.481 nan 8.270 nan 0.000 0.465 231 F N 0.626 120.556 119.950 -0.033 0.000 2.598 231 F HA 0.354 4.896 4.527 0.025 0.000 0.327 231 F C 0.428 176.089 175.800 -0.232 0.000 1.057 231 F CA -1.055 56.862 58.000 -0.139 0.000 0.957 231 F CB 1.342 40.160 39.000 -0.303 0.000 1.278 231 F HN 0.673 nan 8.300 nan 0.000 0.484 232 N N 0.044 118.718 118.700 -0.043 0.000 2.364 232 N HA 0.042 4.798 4.740 0.027 0.000 0.264 232 N C 0.490 175.854 175.510 -0.243 0.000 1.263 232 N CA -0.123 52.869 53.050 -0.098 0.000 0.959 232 N CB 0.113 38.573 38.487 -0.046 0.000 1.204 232 N HN 0.689 nan 8.380 nan 0.000 0.550 233 D N -1.263 119.043 120.400 -0.157 0.000 2.182 233 D HA -0.240 4.417 4.640 0.027 0.000 0.201 233 D C 0.337 176.548 176.300 -0.148 0.000 0.986 233 D CA 1.605 55.514 54.000 -0.152 0.000 0.847 233 D CB -0.491 40.279 40.800 -0.050 0.000 0.942 233 D HN 0.730 nan 8.370 nan 0.000 0.467 234 D N -1.654 118.703 120.400 -0.071 0.000 2.462 234 D HA 0.022 4.678 4.640 0.027 0.000 0.221 234 D C 0.099 176.545 176.300 0.243 0.000 1.173 234 D CA -0.910 53.156 54.000 0.110 0.000 0.831 234 D CB -0.990 39.879 40.800 0.114 0.000 1.001 234 D HN 0.213 nan 8.370 nan 0.000 0.499 235 F N 0.436 120.440 119.950 0.090 0.000 2.988 235 F HA -0.288 4.253 4.527 0.025 0.000 0.287 235 F C 1.657 177.533 175.800 0.127 0.000 0.781 235 F CA 0.794 58.859 58.000 0.108 0.000 1.221 235 F CB -2.555 36.391 39.000 -0.091 0.000 1.392 235 F HN 0.206 nan 8.300 nan 0.000 0.425 236 S N -0.959 114.850 115.700 0.182 0.000 2.528 236 S HA 0.252 4.739 4.470 0.027 0.000 0.219 236 S C 0.659 175.315 174.600 0.094 0.000 0.985 236 S CA 0.006 58.281 58.200 0.125 0.000 0.914 236 S CB 0.381 63.629 63.200 0.080 0.000 0.776 236 S HN 0.453 nan 8.310 nan 0.000 0.526 237 R N 0.163 120.724 120.500 0.101 0.000 2.651 237 R HA 0.805 5.161 4.340 0.027 0.000 0.278 237 R C -1.393 174.936 176.300 0.049 0.000 1.010 237 R CA -0.463 55.662 56.100 0.042 0.000 0.896 237 R CB 2.144 32.447 30.300 0.003 0.000 1.211 237 R HN 0.217 nan 8.270 nan 0.000 0.456 238 A N 1.485 124.274 122.820 -0.052 0.000 2.515 238 A HA 0.745 5.082 4.320 0.027 0.000 0.296 238 A C -1.296 176.202 177.584 -0.145 0.000 1.094 238 A CA -0.698 51.215 52.037 -0.207 0.000 0.718 238 A CB 2.193 21.025 19.000 -0.280 0.000 1.307 238 A HN 0.327 nan 8.150 nan 0.000 0.408 239 V N 1.688 121.490 119.914 -0.186 0.000 2.483 239 V HA 0.409 4.545 4.120 0.027 0.000 0.297 239 V C -0.459 175.574 176.094 -0.103 0.000 1.027 239 V CA -0.356 61.881 62.300 -0.105 0.000 0.855 239 V CB 1.399 33.162 31.823 -0.100 0.000 0.995 239 V HN 0.813 nan 8.190 nan 0.000 0.424 240 L N 4.438 125.640 121.223 -0.034 0.000 2.276 240 L HA 0.605 4.961 4.340 0.027 0.000 0.286 240 L C -0.011 176.820 176.870 -0.065 0.000 1.061 240 L CA -0.009 54.786 54.840 -0.076 0.000 0.807 240 L CB 1.129 43.175 42.059 -0.022 0.000 1.177 240 L HN 0.754 nan 8.230 nan 0.000 0.429 241 E N 3.989 124.146 120.200 -0.072 0.000 2.176 241 E HA 0.640 5.006 4.350 0.027 0.000 0.267 241 E C -1.293 175.299 176.600 -0.014 0.000 0.893 241 E CA -0.636 55.740 56.400 -0.041 0.000 0.761 241 E CB 1.742 31.418 29.700 -0.039 0.000 1.133 241 E HN 0.705 nan 8.360 nan 0.000 0.409 242 A N 4.536 127.356 122.820 -0.000 0.000 2.310 242 A HA 0.309 4.646 4.320 0.027 0.000 0.304 242 A C -0.701 176.895 177.584 0.021 0.000 1.231 242 A CA -0.636 51.425 52.037 0.040 0.000 0.799 242 A CB 0.944 19.971 19.000 0.044 0.000 1.162 242 A HN 0.702 nan 8.150 nan 0.000 0.486 243 E N 2.619 122.836 120.200 0.028 0.000 2.200 243 E HA 0.520 4.887 4.350 0.027 0.000 0.283 243 E C -1.256 175.325 176.600 -0.031 0.000 1.015 243 E CA -0.314 56.062 56.400 -0.041 0.000 0.819 243 E CB 1.035 30.667 29.700 -0.113 0.000 1.081 243 E HN 0.389 nan 8.360 nan 0.000 0.397 244 V N 4.849 124.757 119.914 -0.010 0.000 2.604 244 V HA 0.294 4.430 4.120 0.027 0.000 0.305 244 V C -0.380 175.786 176.094 0.119 0.000 1.043 244 V CA -0.822 61.518 62.300 0.067 0.000 0.888 244 V CB 1.689 33.528 31.823 0.026 0.000 0.995 244 V HN 0.730 nan 8.190 nan 0.000 0.429 245 Q N 4.043 123.918 119.800 0.126 0.000 2.345 245 Q HA 0.826 5.182 4.340 0.027 0.000 0.268 245 Q C -0.818 175.253 176.000 0.119 0.000 1.054 245 Q CA -0.896 54.977 55.803 0.117 0.000 0.835 245 Q CB 2.696 31.438 28.738 0.006 0.000 1.339 245 Q HN 0.814 nan 8.270 nan 0.000 0.447 246 M N -0.882 118.711 119.600 -0.011 0.000 2.716 246 M HA 0.764 5.260 4.480 0.027 0.000 0.307 246 M C -1.306 174.896 176.300 -0.164 0.000 1.223 246 M CA -0.537 54.676 55.300 -0.145 0.000 0.871 246 M CB 1.551 33.872 32.600 -0.466 0.000 1.739 246 M HN 0.543 nan 8.290 nan 0.000 0.475 247 C N 0.419 119.631 119.300 -0.147 0.000 2.779 247 C HA 1.025 5.501 4.460 0.027 0.000 0.314 247 C C 0.613 175.521 174.990 -0.137 0.000 1.231 247 C CA 0.602 59.550 59.018 -0.116 0.000 1.652 247 C CB 1.169 28.868 27.740 -0.068 0.000 2.198 247 C HN 1.454 nan 8.230 nan 0.000 0.483 248 G N 1.470 110.203 108.800 -0.112 0.000 2.526 248 G HA2 -0.054 3.923 3.960 0.027 0.000 0.250 248 G HA3 -0.054 3.923 3.960 0.027 0.000 0.250 248 G C -0.811 174.015 174.900 -0.123 0.000 1.289 248 G CA -0.325 44.714 45.100 -0.103 0.000 0.947 248 G HN 0.969 nan 8.290 nan 0.000 0.517 249 E N 0.017 120.154 120.200 -0.106 0.000 2.257 249 E HA 0.388 4.754 4.350 0.027 0.000 0.278 249 E C 0.650 177.144 176.600 -0.176 0.000 1.049 249 E CA -0.478 55.852 56.400 -0.116 0.000 0.876 249 E CB 0.193 29.849 29.700 -0.073 0.000 1.035 249 E HN 0.452 nan 8.360 nan 0.000 0.419 250 L N 5.201 126.310 121.223 -0.190 0.000 2.455 250 L HA 0.169 4.525 4.340 0.027 0.000 0.272 250 L C 0.328 177.060 176.870 -0.230 0.000 1.174 250 L CA 0.257 54.959 54.840 -0.229 0.000 0.869 250 L CB 0.179 42.132 42.059 -0.177 0.000 1.130 250 L HN 0.458 nan 8.230 nan 0.000 0.474 251 R N 1.772 122.079 120.500 -0.321 0.000 2.698 251 R HA 0.193 4.549 4.340 0.027 0.000 0.275 251 R C -0.109 175.937 176.300 -0.423 0.000 1.001 251 R CA -0.814 55.005 56.100 -0.467 0.000 0.896 251 R CB 1.493 31.159 30.300 -1.057 0.000 1.218 251 R HN 0.466 nan 8.270 nan 0.000 0.462 252 D N 0.907 121.139 120.400 -0.280 0.000 2.264 252 D HA -0.131 4.525 4.640 0.027 0.000 0.208 252 D C 1.385 177.634 176.300 -0.085 0.000 0.966 252 D CA 1.378 55.302 54.000 -0.126 0.000 0.864 252 D CB 0.055 40.837 40.800 -0.030 0.000 0.933 252 D HN 0.584 nan 8.370 nan 0.000 0.499 253 Y N -0.290 120.021 120.300 0.018 0.000 2.529 253 Y HA 0.286 4.853 4.550 0.027 0.000 0.290 253 Y C 0.669 176.572 175.900 0.004 0.000 1.177 253 Y CA -0.547 57.561 58.100 0.012 0.000 1.305 253 Y CB -0.951 37.517 38.460 0.013 0.000 1.047 253 Y HN -0.196 nan 8.280 nan 0.000 0.522 254 L N 2.615 123.782 121.223 -0.094 0.000 2.439 254 L HA 0.312 4.669 4.340 0.027 0.000 0.269 254 L C 0.273 177.134 176.870 -0.015 0.000 1.179 254 L CA -0.080 54.779 54.840 0.033 0.000 0.828 254 L CB 0.484 42.578 42.059 0.058 0.000 1.106 254 L HN 0.171 nan 8.230 nan 0.000 0.467 255 R N 1.722 122.109 120.500 -0.190 0.000 2.774 255 R HA 0.667 5.024 4.340 0.027 0.000 0.272 255 R C -1.566 174.405 176.300 -0.548 0.000 1.000 255 R CA -0.833 55.011 56.100 -0.427 0.000 0.906 255 R CB 2.156 32.080 30.300 -0.627 0.000 1.227 255 R HN 0.263 nan 8.270 nan 0.000 0.468 256 V N 1.178 120.812 119.914 -0.466 0.000 2.531 256 V HA 0.415 4.551 4.120 0.027 0.000 0.301 256 V C -0.373 175.665 176.094 -0.093 0.000 1.034 256 V CA -0.512 61.606 62.300 -0.303 0.000 0.865 256 V CB 2.185 33.749 31.823 -0.432 0.000 0.995 256 V HN 0.711 nan 8.190 nan 0.000 0.424 257 T N 4.507 119.115 114.554 0.090 0.000 2.779 257 T HA 0.605 4.972 4.350 0.027 0.000 0.280 257 T C -0.533 174.179 174.700 0.019 0.000 0.987 257 T CA -0.342 61.819 62.100 0.103 0.000 0.966 257 T CB 1.582 70.544 68.868 0.157 0.000 0.933 257 T HN 0.333 nan 8.240 nan 0.000 0.442 258 V N 3.974 123.881 119.914 -0.012 0.000 2.409 258 V HA 0.640 4.777 4.120 0.027 0.000 0.291 258 V C -0.008 176.082 176.094 -0.007 0.000 1.020 258 V CA -0.799 61.490 62.300 -0.017 0.000 0.848 258 V CB 1.667 33.471 31.823 -0.032 0.000 0.990 258 V HN 1.032 nan 8.190 nan 0.000 0.430 259 S N 5.490 121.206 115.700 0.027 0.000 2.513 259 S HA 0.859 5.345 4.470 0.027 0.000 0.299 259 S C -1.107 173.513 174.600 0.033 0.000 1.087 259 S CA -0.734 57.460 58.200 -0.010 0.000 1.012 259 S CB 2.058 65.267 63.200 0.016 0.000 1.044 259 S HN 0.551 nan 8.310 nan 0.000 0.485 260 L N 2.773 123.927 121.223 -0.115 0.000 2.341 260 L HA 0.825 5.181 4.340 0.027 0.000 0.278 260 L C -1.932 174.881 176.870 -0.096 0.000 1.005 260 L CA -0.279 54.592 54.840 0.052 0.000 0.818 260 L CB 1.031 43.147 42.059 0.095 0.000 1.259 260 L HN 0.907 nan 8.230 nan 0.000 0.418 261 W N 3.531 124.938 121.300 0.177 0.000 2.844 261 W HA 0.593 5.269 4.660 0.027 0.000 0.340 261 W C -0.602 175.995 176.519 0.131 0.000 1.093 261 W CA -0.501 56.919 57.345 0.124 0.000 1.212 261 W CB 1.408 30.894 29.460 0.043 0.000 1.422 261 W HN 0.305 nan 8.180 nan 0.000 0.515 262 Q N 2.242 122.187 119.800 0.240 0.000 2.401 262 Q HA 0.450 4.806 4.340 0.027 0.000 0.260 262 Q C 0.589 176.597 176.000 0.013 0.000 1.034 262 Q CA 0.532 56.276 55.803 -0.099 0.000 0.737 262 Q CB 1.113 29.679 28.738 -0.286 0.000 1.227 262 Q HN 0.816 nan 8.270 nan 0.000 0.488 263 G N 3.998 112.808 108.800 0.016 0.000 2.556 263 G HA2 -0.318 3.659 3.960 0.027 0.000 0.283 263 G HA3 -0.318 3.659 3.960 0.027 0.000 0.283 263 G C 0.450 175.412 174.900 0.104 0.000 1.177 263 G CA 0.305 45.421 45.100 0.027 0.000 0.978 263 G HN 0.637 nan 8.290 nan 0.000 0.554 264 E N 1.267 121.526 120.200 0.098 0.000 2.489 264 E HA 0.135 4.501 4.350 0.027 0.000 0.193 264 E C 0.488 177.276 176.600 0.313 0.000 1.057 264 E CA 0.721 57.208 56.400 0.145 0.000 0.866 264 E CB 0.080 29.814 29.700 0.056 0.000 0.916 264 E HN 0.409 nan 8.360 nan 0.000 0.500 265 T N 1.035 115.755 114.554 0.277 0.000 2.795 265 T HA 0.167 4.534 4.350 0.027 0.000 0.282 265 T C -0.056 174.699 174.700 0.093 0.000 0.980 265 T CA -0.406 61.801 62.100 0.178 0.000 1.012 265 T CB 2.041 70.948 68.868 0.064 0.000 0.936 265 T HN -0.008 nan 8.240 nan 0.000 0.457 266 Q N 2.677 122.317 119.800 -0.266 0.000 2.279 266 Q HA 0.297 4.653 4.340 0.027 0.000 0.256 266 Q C 0.351 176.125 176.000 -0.377 0.000 0.937 266 Q CA -0.369 54.946 55.803 -0.812 0.000 0.933 266 Q CB 0.869 28.882 28.738 -1.207 0.000 1.189 266 Q HN 0.540 nan 8.270 nan 0.000 0.417 267 V N 2.892 122.642 119.914 -0.274 0.000 2.500 267 V HA 0.234 4.371 4.120 0.027 0.000 0.243 267 V C 0.311 176.320 176.094 -0.141 0.000 1.039 267 V CA 1.379 63.615 62.300 -0.108 0.000 1.053 267 V CB 0.335 32.192 31.823 0.056 0.000 0.695 267 V HN 0.830 nan 8.190 nan 0.000 0.463 268 A N -1.389 121.315 122.820 -0.194 0.000 2.601 268 A HA 0.766 5.102 4.320 0.027 0.000 0.291 268 A C -0.821 176.659 177.584 -0.173 0.000 1.075 268 A CA 0.065 52.012 52.037 -0.150 0.000 0.671 268 A CB 1.842 20.790 19.000 -0.087 0.000 1.277 268 A HN 0.084 nan 8.150 nan 0.000 0.417 269 S N -1.079 114.546 115.700 -0.126 0.000 2.537 269 S HA 0.783 5.269 4.470 0.027 0.000 0.271 269 S C -0.594 173.965 174.600 -0.067 0.000 1.148 269 S CA 0.243 58.380 58.200 -0.104 0.000 0.868 269 S CB 1.622 64.749 63.200 -0.122 0.000 1.115 269 S HN 2.351 nan 8.310 nan 0.000 0.461 270 G N 1.603 110.374 108.800 -0.047 0.000 2.706 270 G HA2 0.663 4.639 3.960 0.027 0.000 0.297 270 G HA3 0.663 4.639 3.960 0.027 0.000 0.297 270 G C -1.373 173.510 174.900 -0.027 0.000 1.403 270 G CA -0.417 44.660 45.100 -0.039 0.000 0.954 270 G HN 0.723 nan 8.290 nan 0.000 0.500 271 T N -0.290 114.251 114.554 -0.022 0.000 2.900 271 T HA 0.864 5.230 4.350 0.027 0.000 0.295 271 T C -0.414 174.254 174.700 -0.054 0.000 1.044 271 T CA -0.045 62.047 62.100 -0.013 0.000 0.995 271 T CB 1.894 70.793 68.868 0.051 0.000 1.072 271 T HN 1.583 nan 8.240 nan 0.000 0.473 272 A N 2.969 125.723 122.820 -0.109 0.000 2.604 272 A HA 0.884 5.220 4.320 0.027 0.000 0.295 272 A C -3.116 174.337 177.584 -0.220 0.000 1.067 272 A CA -1.587 50.368 52.037 -0.136 0.000 0.683 272 A CB 1.263 20.178 19.000 -0.140 0.000 1.281 272 A HN 0.533 nan 8.150 nan 0.000 0.407 273 P HA 0.496 nan 4.420 nan 0.000 0.276 273 P C -0.527 176.660 177.300 -0.188 0.000 1.252 273 P CA -0.147 62.869 63.100 -0.140 0.000 0.802 273 P CB 0.319 31.995 31.700 -0.040 0.000 1.035 274 F N 0.086 119.994 119.950 -0.071 0.000 2.440 274 F HA 0.471 5.014 4.527 0.027 0.000 0.323 274 F C 1.522 177.301 175.800 -0.035 0.000 1.192 274 F CA 1.532 59.500 58.000 -0.052 0.000 1.252 274 F CB 0.157 39.121 39.000 -0.059 0.000 1.214 274 F HN 0.593 nan 8.300 nan 0.000 0.578 275 G N 1.075 110.004 108.800 0.215 0.000 3.084 275 G HA2 0.372 4.348 3.960 0.027 0.000 0.543 275 G HA3 0.372 4.348 3.960 0.027 0.000 0.543 275 G C -0.616 174.336 174.900 0.087 0.000 1.239 275 G CA -0.749 44.425 45.100 0.123 0.000 1.190 275 G HN 1.020 nan 8.290 nan 0.000 0.549 276 G N 0.794 109.664 108.800 0.116 0.000 2.502 276 G HA2 0.742 4.718 3.960 0.027 0.000 0.305 276 G HA3 0.742 4.718 3.960 0.027 0.000 0.305 276 G C 0.465 175.409 174.900 0.073 0.000 1.190 276 G CA 0.057 45.217 45.100 0.099 0.000 0.933 276 G HN 1.167 nan 8.290 nan 0.000 0.503 277 E N -0.374 119.860 120.200 0.057 0.000 2.442 277 E HA -0.009 4.357 4.350 0.027 0.000 0.260 277 E C -0.294 176.332 176.600 0.042 0.000 1.148 277 E CA -0.542 55.881 56.400 0.040 0.000 0.976 277 E CB 0.412 30.132 29.700 0.032 0.000 0.967 277 E HN 0.064 nan 8.360 nan 0.000 0.454 278 I N 2.257 122.840 120.570 0.021 0.000 2.710 278 I HA -0.129 4.057 4.170 0.027 0.000 0.286 278 I C 1.205 177.332 176.117 0.017 0.000 1.181 278 I CA -0.045 61.260 61.300 0.009 0.000 1.430 278 I CB 0.089 38.089 38.000 0.000 0.000 1.367 278 I HN 0.654 nan 8.210 nan 0.000 0.577 279 I N 3.689 124.263 120.570 0.006 0.000 3.300 279 I HA 0.073 4.259 4.170 0.027 0.000 0.279 279 I C 0.553 176.671 176.117 0.001 0.000 1.172 279 I CA 0.821 62.134 61.300 0.021 0.000 1.431 279 I CB -0.505 37.508 38.000 0.022 0.000 1.240 279 I HN 0.649 nan 8.210 nan 0.000 0.453 280 D N -1.266 119.119 120.400 -0.023 0.000 2.921 280 D HA 0.125 4.781 4.640 0.027 0.000 0.329 280 D C 0.351 176.634 176.300 -0.028 0.000 1.293 280 D CA -0.423 53.564 54.000 -0.021 0.000 0.964 280 D CB 0.537 41.323 40.800 -0.022 0.000 1.435 280 D HN -0.256 nan 8.370 nan 0.000 0.548 281 E N -1.049 119.136 120.200 -0.024 0.000 2.267 281 E HA -0.042 4.324 4.350 0.027 0.000 0.197 281 E C 1.297 177.878 176.600 -0.032 0.000 0.998 281 E CA 0.927 57.313 56.400 -0.023 0.000 0.830 281 E CB -0.017 29.672 29.700 -0.018 0.000 0.751 281 E HN 0.205 nan 8.360 nan 0.000 0.491 282 R N -0.380 120.092 120.500 -0.047 0.000 2.334 282 R HA 0.286 4.642 4.340 0.027 0.000 0.216 282 R C 0.823 177.080 176.300 -0.072 0.000 0.905 282 R CA 0.692 56.757 56.100 -0.058 0.000 1.064 282 R CB 0.692 30.950 30.300 -0.069 0.000 1.046 282 R HN 0.210 nan 8.270 nan 0.000 0.508 283 G N -0.525 108.235 108.800 -0.068 0.000 2.408 283 G HA2 -0.107 3.869 3.960 0.027 0.000 0.204 283 G HA3 -0.107 3.869 3.960 0.027 0.000 0.204 283 G C -0.276 174.570 174.900 -0.089 0.000 1.186 283 G CA -0.615 44.445 45.100 -0.067 0.000 1.139 283 G HN 0.463 nan 8.290 nan 0.000 0.563 284 G N -1.952 106.791 108.800 -0.094 0.000 3.105 284 G HA2 0.642 4.618 3.960 0.027 0.000 0.277 284 G HA3 0.642 4.618 3.960 0.027 0.000 0.277 284 G C -1.558 173.243 174.900 -0.165 0.000 1.375 284 G CA -0.724 44.324 45.100 -0.087 0.000 0.962 284 G HN 0.766 nan 8.290 nan 0.000 0.541 285 Y N 1.069 121.377 120.300 0.012 0.000 2.556 285 Y HA 0.415 4.981 4.550 0.026 0.000 0.352 285 Y C 1.444 177.361 175.900 0.028 0.000 1.006 285 Y CA 0.136 58.246 58.100 0.015 0.000 1.277 285 Y CB 1.579 40.052 38.460 0.022 0.000 1.136 285 Y HN 0.542 nan 8.280 nan 0.000 0.523 286 A N 1.654 124.537 122.820 0.104 0.000 2.119 286 A HA -0.122 4.214 4.320 0.027 0.000 0.217 286 A C 1.338 178.974 177.584 0.087 0.000 1.153 286 A CA 1.222 53.306 52.037 0.078 0.000 0.692 286 A CB -0.243 18.764 19.000 0.012 0.000 0.799 286 A HN 0.773 nan 8.150 nan 0.000 0.458 287 D N -0.652 119.798 120.400 0.084 0.000 2.358 287 D HA 0.128 4.784 4.640 0.027 0.000 0.224 287 D C 0.498 176.866 176.300 0.113 0.000 1.123 287 D CA -0.016 53.953 54.000 -0.052 0.000 0.833 287 D CB -0.009 40.748 40.800 -0.072 0.000 0.946 287 D HN 0.409 nan 8.370 nan 0.000 0.505 288 R N -0.858 119.826 120.500 0.307 0.000 2.836 288 R HA 0.765 5.122 4.340 0.027 0.000 0.269 288 R C -1.547 174.918 176.300 0.275 0.000 1.010 288 R CA -1.153 55.135 56.100 0.314 0.000 0.930 288 R CB 2.943 33.292 30.300 0.081 0.000 1.218 288 R HN -0.032 nan 8.270 nan 0.000 0.473 289 V N 0.184 120.150 119.914 0.086 0.000 3.048 289 V HA 0.484 4.620 4.120 0.027 0.000 0.303 289 V C -1.518 174.533 176.094 -0.072 0.000 1.214 289 V CA -0.322 61.942 62.300 -0.060 0.000 0.984 289 V CB 2.813 34.475 31.823 -0.269 0.000 1.054 289 V HN 0.819 nan 8.190 nan 0.000 0.430 290 T N 6.998 121.517 114.554 -0.060 0.000 2.786 290 T HA 0.588 4.955 4.350 0.027 0.000 0.283 290 T C -0.938 173.727 174.700 -0.058 0.000 0.992 290 T CA -0.387 61.683 62.100 -0.049 0.000 0.954 290 T CB 1.034 69.885 68.868 -0.028 0.000 0.934 290 T HN 0.422 nan 8.240 nan 0.000 0.440 291 L N 3.657 124.846 121.223 -0.058 0.000 2.322 291 L HA 0.592 4.948 4.340 0.027 0.000 0.279 291 L C 0.385 177.230 176.870 -0.041 0.000 1.036 291 L CA -0.480 54.326 54.840 -0.056 0.000 0.807 291 L CB 1.530 43.553 42.059 -0.060 0.000 1.226 291 L HN 0.541 nan 8.230 nan 0.000 0.433 292 R N 4.164 124.639 120.500 -0.041 0.000 2.513 292 R HA 0.697 5.053 4.340 0.027 0.000 0.301 292 R C -1.219 175.058 176.300 -0.038 0.000 0.968 292 R CA -0.727 55.350 56.100 -0.038 0.000 0.872 292 R CB 2.237 32.514 30.300 -0.038 0.000 1.177 292 R HN 0.471 nan 8.270 nan 0.000 0.444 293 L N 2.805 124.007 121.223 -0.035 0.000 2.356 293 L HA 0.453 4.809 4.340 0.027 0.000 0.277 293 L C -0.497 176.352 176.870 -0.034 0.000 0.996 293 L CA -1.003 53.818 54.840 -0.033 0.000 0.822 293 L CB 2.021 44.067 42.059 -0.023 0.000 1.256 293 L HN 0.535 nan 8.230 nan 0.000 0.413 294 N N 1.569 120.243 118.700 -0.044 0.000 2.499 294 N HA 0.502 5.258 4.740 0.027 0.000 0.281 294 N C -1.050 174.420 175.510 -0.066 0.000 1.098 294 N CA -0.370 52.649 53.050 -0.052 0.000 0.979 294 N CB 2.004 40.462 38.487 -0.048 0.000 1.121 294 N HN 0.208 nan 8.380 nan 0.000 0.466 295 V N 1.658 121.516 119.914 -0.093 0.000 2.525 295 V HA 0.278 4.414 4.120 0.027 0.000 0.299 295 V C -0.557 175.457 176.094 -0.133 0.000 1.034 295 V CA -0.847 61.361 62.300 -0.153 0.000 0.863 295 V CB 1.523 33.152 31.823 -0.323 0.000 0.999 295 V HN 0.564 nan 8.190 nan 0.000 0.423 296 E N 2.846 122.993 120.200 -0.089 0.000 2.249 296 E HA 0.346 4.712 4.350 0.027 0.000 0.280 296 E C 0.210 176.785 176.600 -0.041 0.000 1.016 296 E CA -0.528 55.843 56.400 -0.049 0.000 0.830 296 E CB 0.685 30.367 29.700 -0.029 0.000 1.081 296 E HN 0.729 nan 8.360 nan 0.000 0.395 297 N N 1.199 119.894 118.700 -0.007 0.000 2.705 297 N HA -0.151 4.605 4.740 0.027 0.000 0.255 297 N C -2.487 173.024 175.510 0.001 0.000 1.008 297 N CA 0.167 53.228 53.050 0.019 0.000 0.742 297 N CB -1.044 37.457 38.487 0.024 0.000 0.906 297 N HN 0.304 nan 8.380 nan 0.000 0.541 298 P HA -0.006 nan 4.420 nan 0.000 0.269 298 P C -0.358 176.972 177.300 0.050 0.000 1.209 298 P CA 0.373 63.376 63.100 -0.161 0.000 0.776 298 P CB 0.696 32.108 31.700 -0.481 0.000 0.876 299 K N 2.643 123.158 120.400 0.192 0.000 2.349 299 K HA 0.260 4.597 4.320 0.027 0.000 0.289 299 K C 0.262 177.021 176.600 0.265 0.000 1.064 299 K CA -0.323 56.078 56.287 0.191 0.000 0.947 299 K CB 0.113 32.712 32.500 0.165 0.000 1.007 299 K HN 0.424 nan 8.250 nan 0.000 0.478 300 L N 2.502 123.807 121.223 0.137 0.000 2.418 300 L HA 0.277 4.633 4.340 0.027 0.000 0.265 300 L C 0.041 176.998 176.870 0.146 0.000 1.143 300 L CA -0.752 54.172 54.840 0.139 0.000 0.809 300 L CB 0.440 42.412 42.059 -0.146 0.000 1.124 300 L HN 0.608 nan 8.230 nan 0.000 0.456 301 W N 2.646 123.976 121.300 0.050 0.000 2.376 301 W HA 0.471 5.147 4.660 0.025 0.000 0.322 301 W C -0.049 176.423 176.519 -0.079 0.000 1.160 301 W CA 0.090 57.450 57.345 0.026 0.000 1.218 301 W CB 1.342 30.869 29.460 0.112 0.000 1.205 301 W HN 0.595 nan 8.180 nan 0.000 0.559 302 S N 2.696 117.860 115.700 -0.892 0.000 2.643 302 S HA 0.640 5.126 4.470 0.027 0.000 0.270 302 S C 0.022 173.851 174.600 -1.285 0.000 1.166 302 S CA -0.364 57.362 58.200 -0.790 0.000 0.815 302 S CB 1.101 64.135 63.200 -0.276 0.000 1.139 302 S HN 0.991 nan 8.310 nan 0.000 0.472 303 A N 0.272 122.516 122.820 -0.961 0.000 2.066 303 A HA 0.108 4.444 4.320 0.027 0.000 0.218 303 A C 1.721 178.978 177.584 -0.545 0.000 1.157 303 A CA 1.273 52.744 52.037 -0.943 0.000 0.670 303 A CB -0.875 17.463 19.000 -1.102 0.000 0.804 303 A HN 0.855 nan 8.150 nan 0.000 0.453 304 E N -0.664 119.342 120.200 -0.322 0.000 2.072 304 E HA 0.070 4.436 4.350 0.027 0.000 0.190 304 E C -0.169 176.276 176.600 -0.259 0.000 0.982 304 E CA 0.679 56.940 56.400 -0.232 0.000 0.803 304 E CB 0.047 29.729 29.700 -0.030 0.000 0.755 304 E HN 0.561 nan 8.360 nan 0.000 0.453 305 I N 1.979 122.381 120.570 -0.281 0.000 2.542 305 I HA 0.160 4.346 4.170 0.027 0.000 0.278 305 I C -2.464 173.433 176.117 -0.368 0.000 1.069 305 I CA -1.827 59.331 61.300 -0.237 0.000 1.100 305 I CB 2.077 39.992 38.000 -0.142 0.000 1.204 305 I HN -0.204 nan 8.210 nan 0.000 0.470 306 P HA 0.074 nan 4.420 nan 0.000 0.225 306 P C -0.479 176.826 177.300 0.008 0.000 1.768 306 P CA -0.266 62.542 63.100 -0.487 0.000 0.943 306 P CB -0.306 31.259 31.700 -0.224 0.000 1.936 307 N N 1.512 120.236 118.700 0.040 0.000 2.411 307 N HA 0.069 4.826 4.740 0.027 0.000 0.261 307 N C 0.083 175.824 175.510 0.384 0.000 1.248 307 N CA 0.596 53.748 53.050 0.171 0.000 0.885 307 N CB 0.674 39.261 38.487 0.166 0.000 1.062 307 N HN 0.301 nan 8.380 nan 0.000 0.471 308 L N 2.565 123.941 121.223 0.255 0.000 2.370 308 L HA 0.467 4.823 4.340 0.027 0.000 0.266 308 L C -0.778 176.213 176.870 0.202 0.000 1.002 308 L CA -0.862 54.176 54.840 0.330 0.000 0.818 308 L CB 1.247 43.457 42.059 0.252 0.000 1.325 308 L HN 0.373 nan 8.230 nan 0.000 0.418 309 Y N 0.479 120.934 120.300 0.258 0.000 2.602 309 Y HA 0.686 5.253 4.550 0.027 0.000 0.330 309 Y C -0.141 175.880 175.900 0.201 0.000 1.114 309 Y CA -0.940 57.313 58.100 0.256 0.000 1.182 309 Y CB 1.558 40.240 38.460 0.371 0.000 1.305 309 Y HN 0.386 nan 8.280 nan 0.000 0.502 310 R N 0.919 121.646 120.500 0.380 0.000 2.480 310 R HA 0.802 5.159 4.340 0.027 0.000 0.306 310 R C -1.595 174.893 176.300 0.313 0.000 0.958 310 R CA -0.532 55.725 56.100 0.263 0.000 0.861 310 R CB 1.133 31.520 30.300 0.146 0.000 1.171 310 R HN 0.761 nan 8.270 nan 0.000 0.445 311 A N 3.883 126.831 122.820 0.213 0.000 2.276 311 A HA 0.599 4.936 4.320 0.027 0.000 0.316 311 A C -0.991 176.650 177.584 0.097 0.000 1.229 311 A CA -0.612 51.526 52.037 0.167 0.000 0.851 311 A CB 1.141 20.209 19.000 0.113 0.000 1.165 311 A HN 0.484 nan 8.150 nan 0.000 0.513 312 V N 3.600 123.575 119.914 0.101 0.000 2.448 312 V HA 0.374 4.511 4.120 0.027 0.000 0.295 312 V C -0.370 175.702 176.094 -0.038 0.000 1.025 312 V CA -0.497 61.808 62.300 0.007 0.000 0.859 312 V CB 1.630 33.479 31.823 0.044 0.000 0.988 312 V HN 0.616 nan 8.190 nan 0.000 0.431 313 V N 4.796 124.623 119.914 -0.147 0.000 2.328 313 V HA 0.421 4.557 4.120 0.027 0.000 0.278 313 V C -0.011 176.028 176.094 -0.091 0.000 1.021 313 V CA -0.561 61.631 62.300 -0.180 0.000 0.838 313 V CB 1.180 32.745 31.823 -0.430 0.000 0.999 313 V HN 0.906 nan 8.190 nan 0.000 0.447 314 E N 3.705 123.903 120.200 -0.004 0.000 2.166 314 E HA 0.510 4.876 4.350 0.027 0.000 0.275 314 E C -1.066 175.619 176.600 0.141 0.000 0.941 314 E CA -0.891 55.555 56.400 0.076 0.000 0.784 314 E CB 2.502 32.270 29.700 0.114 0.000 1.115 314 E HN 0.458 nan 8.360 nan 0.000 0.399 315 L N 4.678 125.969 121.223 0.113 0.000 2.272 315 L HA 0.395 4.751 4.340 0.027 0.000 0.289 315 L C -1.002 175.962 176.870 0.156 0.000 1.032 315 L CA 0.076 54.970 54.840 0.090 0.000 0.810 315 L CB 0.084 42.185 42.059 0.071 0.000 1.205 315 L HN 0.681 nan 8.230 nan 0.000 0.422 316 H N 0.199 119.310 119.070 0.068 0.000 2.918 316 H HA 0.774 5.346 4.556 0.027 0.000 0.303 316 H C -0.806 174.592 175.328 0.116 0.000 1.380 316 H CA -0.528 55.563 56.048 0.071 0.000 1.134 316 H CB 0.682 30.468 29.762 0.039 0.000 1.842 316 H HN 0.489 nan 8.280 nan 0.000 0.533 317 T N -2.080 112.616 114.554 0.236 0.000 2.927 317 T HA 0.563 4.929 4.350 0.027 0.000 0.281 317 T C 1.400 176.246 174.700 0.244 0.000 0.998 317 T CA -0.390 61.839 62.100 0.215 0.000 1.019 317 T CB 1.589 70.531 68.868 0.124 0.000 1.061 317 T HN 0.926 nan 8.240 nan 0.000 0.518 318 A N 1.335 124.266 122.820 0.185 0.000 1.940 318 A HA -0.109 4.228 4.320 0.027 0.000 0.219 318 A C 1.859 179.518 177.584 0.124 0.000 1.176 318 A CA 1.930 54.061 52.037 0.157 0.000 0.631 318 A CB -1.261 17.814 19.000 0.126 0.000 0.814 318 A HN 1.010 nan 8.150 nan 0.000 0.446 319 D N -2.032 118.411 120.400 0.072 0.000 2.351 319 D HA 0.215 4.872 4.640 0.027 0.000 0.216 319 D C 1.180 177.509 176.300 0.048 0.000 0.968 319 D CA 1.224 55.244 54.000 0.033 0.000 0.899 319 D CB -0.564 40.225 40.800 -0.018 0.000 0.907 319 D HN 0.916 nan 8.370 nan 0.000 0.514 320 G N -1.443 107.420 108.800 0.105 0.000 2.163 320 G HA2 -0.210 3.766 3.960 0.027 0.000 0.213 320 G HA3 -0.210 3.766 3.960 0.027 0.000 0.213 320 G C 0.173 175.093 174.900 0.034 0.000 0.991 320 G CA 0.065 45.195 45.100 0.051 0.000 0.653 320 G HN 0.422 nan 8.290 nan 0.000 0.518 321 T N 1.664 116.260 114.554 0.069 0.000 2.749 321 T HA 0.512 4.878 4.350 0.027 0.000 0.295 321 T C 0.295 175.056 174.700 0.103 0.000 0.936 321 T CA -0.223 61.909 62.100 0.054 0.000 1.060 321 T CB 1.897 70.785 68.868 0.034 0.000 0.904 321 T HN 0.515 nan 8.240 nan 0.000 0.500 322 L N 4.836 126.099 121.223 0.066 0.000 2.410 322 L HA 0.336 4.692 4.340 0.027 0.000 0.273 322 L C 0.759 177.679 176.870 0.083 0.000 1.152 322 L CA 0.395 55.288 54.840 0.088 0.000 0.855 322 L CB 0.074 42.157 42.059 0.040 0.000 1.129 322 L HN 0.704 nan 8.230 nan 0.000 0.463 323 I N 2.635 123.266 120.570 0.101 0.000 2.512 323 I HA 0.126 4.313 4.170 0.027 0.000 0.247 323 I C 0.231 176.374 176.117 0.045 0.000 1.094 323 I CA 0.446 61.788 61.300 0.069 0.000 1.427 323 I CB 0.198 38.242 38.000 0.074 0.000 1.149 323 I HN 0.809 nan 8.210 nan 0.000 0.438 324 E N 0.096 120.324 120.200 0.047 0.000 2.409 324 E HA 0.695 5.062 4.350 0.027 0.000 0.280 324 E C -1.517 175.109 176.600 0.043 0.000 1.079 324 E CA -1.070 55.350 56.400 0.034 0.000 0.840 324 E CB 1.687 31.373 29.700 -0.022 0.000 1.309 324 E HN -0.005 nan 8.360 nan 0.000 0.447 325 A N 1.368 124.238 122.820 0.084 0.000 2.414 325 A HA 0.711 5.047 4.320 0.027 0.000 0.306 325 A C -0.996 176.705 177.584 0.196 0.000 1.054 325 A CA -0.734 51.358 52.037 0.091 0.000 0.724 325 A CB 1.623 20.666 19.000 0.071 0.000 1.267 325 A HN 0.509 nan 8.150 nan 0.000 0.418 326 E N -0.268 119.974 120.200 0.070 0.000 2.339 326 E HA 0.858 5.224 4.350 0.027 0.000 0.262 326 E C -0.418 176.210 176.600 0.047 0.000 0.934 326 E CA -0.449 56.039 56.400 0.147 0.000 0.802 326 E CB 2.358 32.026 29.700 -0.054 0.000 1.275 326 E HN 1.214 nan 8.360 nan 0.000 0.427 327 A N -0.196 122.770 122.820 0.243 0.000 2.540 327 A HA 0.729 5.065 4.320 0.027 0.000 0.291 327 A C -1.235 176.553 177.584 0.340 0.000 1.083 327 A CA -0.285 51.825 52.037 0.121 0.000 0.650 327 A CB 0.673 19.679 19.000 0.009 0.000 1.292 327 A HN 0.922 nan 8.150 nan 0.000 0.435 328 C N -0.878 118.571 119.300 0.250 0.000 3.312 328 C HA 0.784 5.260 4.460 0.027 0.000 0.332 328 C C -1.504 173.583 174.990 0.161 0.000 1.340 328 C CA -0.915 58.249 59.018 0.244 0.000 1.265 328 C CB 0.933 28.837 27.740 0.274 0.000 1.563 328 C HN 0.826 nan 8.230 nan 0.000 0.471 329 D N 1.065 121.543 120.400 0.130 0.000 2.304 329 D HA 0.557 5.213 4.640 0.027 0.000 0.250 329 D C -0.316 176.034 176.300 0.083 0.000 1.107 329 D CA 0.196 54.271 54.000 0.125 0.000 0.885 329 D CB 1.781 42.656 40.800 0.125 0.000 1.192 329 D HN 0.567 nan 8.370 nan 0.000 0.436 330 V N 1.243 121.233 119.914 0.126 0.000 2.540 330 V HA 0.680 4.816 4.120 0.027 0.000 0.302 330 V C 0.592 176.743 176.094 0.096 0.000 1.035 330 V CA -0.885 61.429 62.300 0.023 0.000 0.873 330 V CB 2.051 33.856 31.823 -0.030 0.000 0.992 330 V HN 0.600 nan 8.190 nan 0.000 0.428 331 G N 3.017 111.771 108.800 -0.077 0.000 2.502 331 G HA2 0.600 4.576 3.960 0.027 0.000 0.311 331 G HA3 0.600 4.576 3.960 0.027 0.000 0.311 331 G C -0.981 173.979 174.900 0.100 0.000 1.270 331 G CA -0.384 44.753 45.100 0.062 0.000 0.948 331 G HN 0.444 nan 8.290 nan 0.000 0.487 332 F N 4.120 124.245 119.950 0.292 0.000 2.462 332 F HA 0.423 4.966 4.527 0.026 0.000 0.360 332 F C 1.151 177.197 175.800 0.410 0.000 1.134 332 F CA -0.006 58.233 58.000 0.399 0.000 1.148 332 F CB 0.641 39.867 39.000 0.377 0.000 1.147 332 F HN 0.447 nan 8.300 nan 0.000 0.550 333 R N 3.267 124.057 120.500 0.483 0.000 2.663 333 R HA 0.412 4.769 4.340 0.027 0.000 0.267 333 R C -1.891 174.560 176.300 0.252 0.000 1.038 333 R CA -0.784 55.434 56.100 0.196 0.000 0.886 333 R CB 1.622 32.076 30.300 0.257 0.000 1.249 333 R HN 0.583 nan 8.270 nan 0.000 0.463 334 E N 2.001 122.253 120.200 0.087 0.000 2.199 334 E HA 0.505 4.871 4.350 0.027 0.000 0.269 334 E C -1.278 175.391 176.600 0.115 0.000 0.899 334 E CA -0.966 55.570 56.400 0.227 0.000 0.772 334 E CB 2.238 32.164 29.700 0.378 0.000 1.155 334 E HN 0.391 nan 8.360 nan 0.000 0.408 335 V N 5.290 125.267 119.914 0.106 0.000 2.444 335 V HA 0.553 4.689 4.120 0.027 0.000 0.294 335 V C -0.292 175.841 176.094 0.065 0.000 1.022 335 V CA -0.661 61.672 62.300 0.055 0.000 0.850 335 V CB 1.278 33.111 31.823 0.018 0.000 0.992 335 V HN 0.725 nan 8.190 nan 0.000 0.426 336 R N 4.408 124.943 120.500 0.059 0.000 2.710 336 R HA 0.741 5.097 4.340 0.027 0.000 0.270 336 R C -2.057 174.269 176.300 0.044 0.000 1.021 336 R CA -0.928 55.209 56.100 0.062 0.000 0.889 336 R CB 2.089 32.441 30.300 0.086 0.000 1.243 336 R HN 0.515 nan 8.270 nan 0.000 0.464 337 I N 1.279 121.875 120.570 0.043 0.000 2.354 337 I HA 0.356 4.542 4.170 0.027 0.000 0.292 337 I C -0.603 175.536 176.117 0.036 0.000 0.989 337 I CA -0.459 60.860 61.300 0.032 0.000 1.188 337 I CB 1.880 39.899 38.000 0.033 0.000 1.342 337 I HN 0.696 nan 8.210 nan 0.000 0.457 338 E N 5.563 125.781 120.200 0.030 0.000 2.290 338 E HA 0.259 4.625 4.350 0.027 0.000 0.274 338 E C -0.284 176.330 176.600 0.022 0.000 0.889 338 E CA -0.548 55.872 56.400 0.032 0.000 0.760 338 E CB 1.080 30.804 29.700 0.041 0.000 1.206 338 E HN 0.541 nan 8.360 nan 0.000 0.419 339 N N 3.036 121.748 118.700 0.022 0.000 2.725 339 N HA -0.240 4.516 4.740 0.027 0.000 0.249 339 N C 0.439 175.954 175.510 0.009 0.000 1.103 339 N CA 2.073 55.132 53.050 0.015 0.000 0.707 339 N CB -1.126 37.368 38.487 0.013 0.000 1.043 339 N HN 0.950 nan 8.380 nan 0.000 0.553 340 G N -2.431 106.375 108.800 0.010 0.000 2.176 340 G HA2 -0.272 3.704 3.960 0.027 0.000 0.253 340 G HA3 -0.272 3.704 3.960 0.027 0.000 0.253 340 G C -0.110 174.784 174.900 -0.009 0.000 0.979 340 G CA 0.428 45.529 45.100 0.002 0.000 0.641 340 G HN 0.443 nan 8.290 nan 0.000 0.530 341 L N 0.152 121.370 121.223 -0.008 0.000 2.362 341 L HA 0.707 5.063 4.340 0.027 0.000 0.271 341 L C 0.065 176.924 176.870 -0.019 0.000 1.002 341 L CA -1.312 53.515 54.840 -0.022 0.000 0.818 341 L CB 1.918 43.964 42.059 -0.021 0.000 1.298 341 L HN 0.102 nan 8.230 nan 0.000 0.420 342 L N 4.376 125.575 121.223 -0.039 0.000 2.315 342 L HA 0.414 4.770 4.340 0.027 0.000 0.283 342 L C -0.815 176.028 176.870 -0.045 0.000 1.089 342 L CA 0.423 55.239 54.840 -0.039 0.000 0.833 342 L CB 0.243 42.266 42.059 -0.060 0.000 1.170 342 L HN 0.381 nan 8.230 nan 0.000 0.442 343 L N 5.940 127.153 121.223 -0.016 0.000 2.334 343 L HA 0.534 4.890 4.340 0.027 0.000 0.276 343 L C -0.794 176.076 176.870 -0.000 0.000 1.014 343 L CA -0.846 53.993 54.840 -0.002 0.000 0.815 343 L CB 1.894 43.975 42.059 0.038 0.000 1.268 343 L HN 0.542 nan 8.230 nan 0.000 0.428 344 L N 3.864 125.096 121.223 0.014 0.000 2.343 344 L HA 0.469 4.825 4.340 0.027 0.000 0.278 344 L C -0.269 176.602 176.870 0.001 0.000 0.996 344 L CA -0.040 54.815 54.840 0.026 0.000 0.831 344 L CB 0.801 42.880 42.059 0.034 0.000 1.232 344 L HN 0.594 nan 8.230 nan 0.000 0.413 345 N N 4.067 122.612 118.700 -0.260 0.000 2.727 345 N HA -0.219 4.538 4.740 0.027 0.000 0.249 345 N C 0.956 176.067 175.510 -0.665 0.000 1.048 345 N CA 1.315 53.838 53.050 -0.878 0.000 0.714 345 N CB -1.335 36.526 38.487 -1.042 0.000 0.959 345 N HN 1.164 nan 8.380 nan 0.000 0.544 346 G N -1.966 106.754 108.800 -0.133 0.000 2.184 346 G HA2 -0.365 3.612 3.960 0.027 0.000 0.264 346 G HA3 -0.365 3.612 3.960 0.027 0.000 0.264 346 G C -0.034 174.903 174.900 0.062 0.000 0.975 346 G CA 0.996 46.159 45.100 0.106 0.000 0.642 346 G HN 0.448 nan 8.290 nan 0.000 0.536 347 K N 0.761 121.189 120.400 0.047 0.000 2.203 347 K HA 0.513 4.849 4.320 0.027 0.000 0.251 347 K C -2.793 173.781 176.600 -0.042 0.000 0.944 347 K CA -2.130 54.148 56.287 -0.016 0.000 0.829 347 K CB 2.626 35.053 32.500 -0.122 0.000 1.125 347 K HN 0.056 nan 8.250 nan 0.000 0.430 348 P HA 0.196 nan 4.420 nan 0.000 0.276 348 P C -0.137 177.095 177.300 -0.113 0.000 1.253 348 P CA -0.212 62.840 63.100 -0.079 0.000 0.766 348 P CB 0.560 32.217 31.700 -0.071 0.000 0.845 349 L N 3.423 124.575 121.223 -0.118 0.000 2.453 349 L HA 0.297 4.654 4.340 0.027 0.000 0.261 349 L C 0.670 177.457 176.870 -0.139 0.000 1.179 349 L CA -0.662 54.096 54.840 -0.137 0.000 0.813 349 L CB 0.388 42.325 42.059 -0.204 0.000 1.110 349 L HN 0.275 nan 8.230 nan 0.000 0.466 350 L N 3.450 124.610 121.223 -0.106 0.000 2.388 350 L HA 0.410 4.766 4.340 0.027 0.000 0.267 350 L C -0.547 176.276 176.870 -0.078 0.000 0.995 350 L CA -0.187 54.578 54.840 -0.125 0.000 0.864 350 L CB 0.805 42.816 42.059 -0.080 0.000 1.216 350 L HN 0.240 nan 8.230 nan 0.000 0.430 351 I N 4.760 125.214 120.570 -0.194 0.000 2.421 351 I HA 0.178 4.365 4.170 0.027 0.000 0.291 351 I C 0.542 176.620 176.117 -0.065 0.000 1.089 351 I CA 0.203 61.403 61.300 -0.167 0.000 1.354 351 I CB 0.394 38.179 38.000 -0.358 0.000 1.413 351 I HN 0.571 nan 8.210 nan 0.000 0.513 352 R N 4.725 125.276 120.500 0.085 0.000 3.070 352 R HA 0.428 4.784 4.340 0.027 0.000 0.252 352 R C 0.521 176.943 176.300 0.203 0.000 1.370 352 R CA -0.259 55.937 56.100 0.159 0.000 1.482 352 R CB 0.859 31.067 30.300 -0.154 0.000 1.220 352 R HN 0.769 nan 8.270 nan 0.000 0.622 353 G N 0.048 108.920 108.800 0.119 0.000 2.509 353 G HA2 0.583 4.559 3.960 0.027 0.000 0.328 353 G HA3 0.583 4.559 3.960 0.027 0.000 0.328 353 G C -1.284 173.891 174.900 0.458 0.000 1.194 353 G CA -0.462 44.697 45.100 0.098 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.046 120.206 119.914 0.410 0.000 2.932 354 V HA 0.460 4.596 4.120 0.027 0.000 0.307 354 V C -1.026 175.174 176.094 0.177 0.000 1.147 354 V CA -1.222 61.199 62.300 0.202 0.000 0.951 354 V CB 2.145 33.781 31.823 -0.311 0.000 1.031 354 V HN 0.766 nan 8.190 nan 0.000 0.426 355 N N 4.284 123.002 118.700 0.029 0.000 2.530 355 N HA 0.416 5.172 4.740 0.027 0.000 0.273 355 N C -0.670 174.602 175.510 -0.397 0.000 1.173 355 N CA -0.210 52.703 53.050 -0.228 0.000 0.967 355 N CB 1.302 39.550 38.487 -0.399 0.000 1.109 355 N HN 0.625 nan 8.380 nan 0.000 0.453 356 R N 1.960 122.197 120.500 -0.438 0.000 2.510 356 R HA 0.201 4.557 4.340 0.027 0.000 0.294 356 R C -0.963 175.076 176.300 -0.435 0.000 1.056 356 R CA -0.541 55.333 56.100 -0.377 0.000 0.918 356 R CB 0.796 30.855 30.300 -0.401 0.000 1.187 356 R HN 0.607 nan 8.270 nan 0.000 0.437 357 H N 1.992 120.896 119.070 -0.276 0.000 2.508 357 H HA 0.134 4.707 4.556 0.028 0.000 0.358 357 H C -0.458 174.860 175.328 -0.017 0.000 1.212 357 H CA 0.032 56.016 56.048 -0.107 0.000 1.356 357 H CB 1.416 31.188 29.762 0.015 0.000 1.525 357 H HN 0.547 nan 8.280 nan 0.000 0.578 358 E N 1.696 122.087 120.200 0.318 0.000 1.941 358 E HA 0.094 4.460 4.350 0.027 0.000 0.275 358 E C -0.747 176.005 176.600 0.253 0.000 1.113 358 E CA 0.019 56.536 56.400 0.194 0.000 0.878 358 E CB 0.181 30.014 29.700 0.223 0.000 1.070 358 E HN 0.365 nan 8.360 nan 0.000 0.399 359 H N 1.681 120.813 119.070 0.102 0.000 2.865 359 H HA 0.253 4.825 4.556 0.027 0.000 0.362 359 H C -1.650 173.730 175.328 0.088 0.000 1.114 359 H CA -0.671 55.432 56.048 0.092 0.000 1.208 359 H CB 1.060 30.862 29.762 0.067 0.000 1.727 359 H HN 0.390 nan 8.280 nan 0.000 0.534 360 H N 6.217 124.913 119.070 -0.623 0.000 2.667 360 H HA 0.222 4.794 4.556 0.027 0.000 0.353 360 H C -2.336 172.624 175.328 -0.614 0.000 1.072 360 H CA -2.413 53.397 56.048 -0.396 0.000 1.214 360 H CB 2.757 32.430 29.762 -0.148 0.000 1.600 360 H HN 0.547 nan 8.280 nan 0.000 0.527 361 P HA -0.056 nan 4.420 nan 0.000 0.223 361 P C 1.234 178.445 177.300 -0.147 0.000 1.151 361 P CA 0.575 63.531 63.100 -0.241 0.000 0.787 361 P CB 0.980 32.577 31.700 -0.172 0.000 0.788 362 L N -1.737 119.538 121.223 0.086 0.000 2.362 362 L HA 0.107 4.463 4.340 0.027 0.000 0.204 362 L C 2.129 178.773 176.870 -0.376 0.000 1.060 362 L CA 0.798 55.526 54.840 -0.187 0.000 0.827 362 L CB -0.426 41.424 42.059 -0.348 0.000 1.027 362 L HN -0.035 nan 8.230 nan 0.000 0.474 363 H N -0.967 118.069 119.070 -0.056 0.000 2.539 363 H HA 0.273 4.845 4.556 0.027 0.000 0.269 363 H C 1.320 176.536 175.328 -0.186 0.000 0.980 363 H CA 0.286 56.203 56.048 -0.218 0.000 1.152 363 H CB 0.375 29.897 29.762 -0.400 0.000 1.407 363 H HN 0.395 nan 8.280 nan 0.000 0.564 364 G N 1.298 109.998 108.800 -0.167 0.000 2.559 364 G HA2 -0.378 3.599 3.960 0.027 0.000 0.282 364 G HA3 -0.378 3.599 3.960 0.027 0.000 0.282 364 G C 0.698 175.502 174.900 -0.161 0.000 1.177 364 G CA 0.331 45.286 45.100 -0.240 0.000 0.960 364 G HN 0.454 nan 8.290 nan 0.000 0.540 365 Q N -0.124 119.615 119.800 -0.103 0.000 2.247 365 Q HA 0.451 4.807 4.340 0.027 0.000 0.204 365 Q C 0.364 176.464 176.000 0.167 0.000 0.872 365 Q CA -0.047 55.741 55.803 -0.024 0.000 0.951 365 Q CB 1.379 29.975 28.738 -0.237 0.000 1.099 365 Q HN 0.364 nan 8.270 nan 0.000 0.501 366 V N 2.142 122.133 119.914 0.127 0.000 2.488 366 V HA 0.154 4.290 4.120 0.027 0.000 0.277 366 V C 0.158 176.301 176.094 0.083 0.000 1.046 366 V CA 0.066 62.445 62.300 0.133 0.000 0.986 366 V CB 0.939 32.773 31.823 0.017 0.000 0.989 366 V HN 0.300 nan 8.190 nan 0.000 0.475 367 M N 5.305 124.963 119.600 0.097 0.000 2.423 367 M HA 0.517 5.013 4.480 0.027 0.000 0.335 367 M C -0.333 175.937 176.300 -0.051 0.000 1.177 367 M CA -0.554 54.764 55.300 0.031 0.000 1.038 367 M CB 1.688 34.278 32.600 -0.016 0.000 1.641 367 M HN 0.856 nan 8.290 nan 0.000 0.455 368 D N 0.005 120.380 120.400 -0.041 0.000 2.581 368 D HA 0.205 4.861 4.640 0.027 0.000 0.232 368 D C 0.052 176.336 176.300 -0.026 0.000 1.143 368 D CA -0.447 53.522 54.000 -0.051 0.000 0.881 368 D CB 1.802 42.587 40.800 -0.025 0.000 1.500 368 D HN 0.700 nan 8.370 nan 0.000 0.458 369 E N 0.224 120.414 120.200 -0.017 0.000 2.085 369 E HA -0.286 4.080 4.350 0.027 0.000 0.194 369 E C 1.755 178.396 176.600 0.068 0.000 0.994 369 E CA 1.403 57.819 56.400 0.027 0.000 0.801 369 E CB 0.154 29.882 29.700 0.046 0.000 0.743 369 E HN 0.521 nan 8.360 nan 0.000 0.453 370 Q N -0.378 119.464 119.800 0.070 0.000 2.135 370 Q HA -0.155 4.201 4.340 0.027 0.000 0.204 370 Q C 1.955 178.017 176.000 0.103 0.000 0.981 370 Q CA 1.991 57.846 55.803 0.087 0.000 0.856 370 Q CB 0.008 28.797 28.738 0.085 0.000 0.902 370 Q HN 0.306 nan 8.270 nan 0.000 0.425 371 T N 0.782 115.408 114.554 0.119 0.000 2.812 371 T HA -0.082 4.285 4.350 0.027 0.000 0.264 371 T C 1.862 176.649 174.700 0.144 0.000 1.042 371 T CA 1.192 63.377 62.100 0.142 0.000 1.140 371 T CB -0.099 68.881 68.868 0.187 0.000 0.870 371 T HN 0.283 nan 8.240 nan 0.000 0.445 372 M N 0.643 120.330 119.600 0.145 0.000 2.065 372 M HA -0.117 4.379 4.480 0.027 0.000 0.259 372 M C 2.467 178.889 176.300 0.204 0.000 1.069 372 M CA 1.480 56.934 55.300 0.257 0.000 1.110 372 M CB -0.716 32.054 32.600 0.284 0.000 1.328 372 M HN 0.095 nan 8.290 nan 0.000 0.405 373 V N 0.265 120.239 119.914 0.099 0.000 2.332 373 V HA -0.313 3.823 4.120 0.027 0.000 0.248 373 V C 2.334 178.410 176.094 -0.029 0.000 1.055 373 V CA 2.182 64.471 62.300 -0.017 0.000 1.038 373 V CB -0.962 30.886 31.823 0.042 0.000 0.651 373 V HN 0.572 nan 8.190 nan 0.000 0.450 374 Q N -0.268 119.567 119.800 0.059 0.000 2.061 374 Q HA -0.275 4.081 4.340 0.027 0.000 0.204 374 Q C 1.992 178.071 176.000 0.131 0.000 0.984 374 Q CA 2.195 58.050 55.803 0.087 0.000 0.846 374 Q CB -0.148 28.656 28.738 0.111 0.000 0.902 374 Q HN 0.619 nan 8.270 nan 0.000 0.421 375 D N 0.251 120.755 120.400 0.174 0.000 2.097 375 D HA -0.129 4.527 4.640 0.027 0.000 0.195 375 D C 1.914 178.201 176.300 -0.022 0.000 0.989 375 D CA 1.083 55.209 54.000 0.209 0.000 0.827 375 D CB -0.153 40.763 40.800 0.194 0.000 0.966 375 D HN 0.354 nan 8.370 nan 0.000 0.456 376 I N 0.539 121.074 120.570 -0.059 0.000 2.286 376 I HA -0.225 3.961 4.170 0.027 0.000 0.248 376 I C 2.346 178.330 176.117 -0.221 0.000 1.115 376 I CA 0.587 61.745 61.300 -0.237 0.000 1.392 376 I CB -0.067 37.678 38.000 -0.425 0.000 1.065 376 I HN -0.016 nan 8.210 nan 0.000 0.418 377 L N -0.024 121.094 121.223 -0.174 0.000 2.046 377 L HA -0.216 4.141 4.340 0.027 0.000 0.208 377 L C 2.486 179.418 176.870 0.102 0.000 1.077 377 L CA 1.273 56.093 54.840 -0.034 0.000 0.747 377 L CB -0.497 41.558 42.059 -0.007 0.000 0.896 377 L HN 0.265 nan 8.230 nan 0.000 0.432 378 L N -1.084 120.229 121.223 0.150 0.000 2.093 378 L HA -0.216 4.140 4.340 0.027 0.000 0.208 378 L C 2.663 179.707 176.870 0.288 0.000 1.085 378 L CA 1.198 56.213 54.840 0.291 0.000 0.755 378 L CB -0.319 42.040 42.059 0.501 0.000 0.904 378 L HN 0.296 nan 8.230 nan 0.000 0.435 379 M N -0.455 119.147 119.600 0.005 0.000 2.065 379 M HA -0.257 4.240 4.480 0.027 0.000 0.259 379 M C 2.312 178.710 176.300 0.164 0.000 1.069 379 M CA 1.919 57.139 55.300 -0.133 0.000 1.110 379 M CB -0.363 31.924 32.600 -0.520 0.000 1.328 379 M HN 0.093 nan 8.290 nan 0.000 0.405 380 K N -0.042 120.364 120.400 0.010 0.000 2.097 380 K HA -0.183 4.153 4.320 0.027 0.000 0.206 380 K C 1.946 178.572 176.600 0.044 0.000 1.049 380 K CA 1.342 57.545 56.287 -0.140 0.000 0.933 380 K CB -0.239 32.014 32.500 -0.412 0.000 0.717 380 K HN 0.476 nan 8.250 nan 0.000 0.442 381 Q N 0.306 120.288 119.800 0.303 0.000 2.291 381 Q HA -0.032 4.324 4.340 0.027 0.000 0.205 381 Q C 0.766 177.065 176.000 0.499 0.000 0.970 381 Q CA 0.693 56.767 55.803 0.451 0.000 0.876 381 Q CB 0.149 29.105 28.738 0.362 0.000 0.935 381 Q HN 0.262 nan 8.270 nan 0.000 0.455 382 N N 0.675 119.619 118.700 0.407 0.000 2.321 382 N HA 0.060 4.816 4.740 0.027 0.000 0.242 382 N C -0.680 174.924 175.510 0.157 0.000 1.141 382 N CA 0.024 53.295 53.050 0.368 0.000 0.864 382 N CB 0.712 39.494 38.487 0.491 0.000 1.100 382 N HN 0.158 nan 8.380 nan 0.000 0.510 383 N N 0.034 118.835 118.700 0.169 0.000 2.782 383 N HA -0.189 4.567 4.740 0.027 0.000 0.251 383 N C -0.777 174.618 175.510 -0.192 0.000 1.101 383 N CA 0.813 53.899 53.050 0.060 0.000 0.764 383 N CB -1.775 36.670 38.487 -0.070 0.000 1.122 383 N HN 0.267 nan 8.380 nan 0.000 0.561 384 F N 1.169 121.133 119.950 0.023 0.000 2.375 384 F HA 0.316 4.859 4.527 0.026 0.000 0.333 384 F C 1.795 177.581 175.800 -0.024 0.000 1.104 384 F CA -0.511 57.481 58.000 -0.013 0.000 1.149 384 F CB 0.837 39.795 39.000 -0.070 0.000 1.190 384 F HN 0.040 nan 8.300 nan 0.000 0.533 385 N N 0.690 119.498 118.700 0.181 0.000 2.143 385 N HA 0.411 5.168 4.740 0.027 0.000 0.222 385 N C -0.833 174.714 175.510 0.061 0.000 1.264 385 N CA 0.041 53.123 53.050 0.055 0.000 0.897 385 N CB 0.736 39.304 38.487 0.134 0.000 1.092 385 N HN 0.471 nan 8.380 nan 0.000 0.516 386 A N -0.473 122.464 122.820 0.195 0.000 2.606 386 A HA 0.758 5.094 4.320 0.027 0.000 0.293 386 A C -1.793 176.010 177.584 0.365 0.000 1.082 386 A CA -0.691 51.526 52.037 0.301 0.000 0.685 386 A CB 1.859 21.076 19.000 0.362 0.000 1.284 386 A HN 0.203 nan 8.150 nan 0.000 0.408 387 V N 1.056 121.232 119.914 0.437 0.000 2.888 387 V HA 0.765 4.901 4.120 0.027 0.000 0.309 387 V C -0.627 175.579 176.094 0.187 0.000 1.114 387 V CA -0.689 61.806 62.300 0.324 0.000 0.940 387 V CB 1.889 33.835 31.823 0.205 0.000 1.021 387 V HN 1.117 nan 8.190 nan 0.000 0.426 388 R N 4.969 125.418 120.500 -0.085 0.000 2.346 388 R HA 0.475 4.831 4.340 0.027 0.000 0.311 388 R C -0.739 175.389 176.300 -0.287 0.000 0.983 388 R CA -0.459 55.390 56.100 -0.418 0.000 0.880 388 R CB 1.066 30.845 30.300 -0.869 0.000 1.100 388 R HN 0.796 nan 8.270 nan 0.000 0.453 389 C N 4.520 123.687 119.300 -0.222 0.000 2.896 389 C HA 0.125 4.602 4.460 0.027 0.000 0.499 389 C C 0.476 175.165 174.990 -0.501 0.000 1.022 389 C CA -0.482 58.357 59.018 -0.299 0.000 1.127 389 C CB -2.024 25.661 27.740 -0.092 0.000 1.452 389 C HN 0.733 nan 8.230 nan 0.000 0.580 390 S N 1.544 116.824 115.700 -0.700 0.000 2.465 390 S HA 0.175 4.661 4.470 0.027 0.000 0.280 390 S C -0.157 173.524 174.600 -1.532 0.000 1.232 390 S CA 0.123 57.649 58.200 -1.124 0.000 1.066 390 S CB 0.142 62.609 63.200 -1.222 0.000 0.929 390 S HN 0.727 nan 8.310 nan 0.000 0.494 391 H N 3.747 122.222 119.070 -0.992 0.000 2.439 391 H HA 0.338 4.910 4.556 0.027 0.000 0.228 391 H C -1.156 174.058 175.328 -0.189 0.000 1.423 391 H CA -0.350 55.490 56.048 -0.346 0.000 1.386 391 H CB -0.123 29.639 29.762 -0.000 0.000 1.641 391 H HN 0.892 nan 8.280 nan 0.000 0.508 392 Y N -2.628 117.765 120.300 0.155 0.000 2.765 392 Y HA 0.358 4.925 4.550 0.028 0.000 0.350 392 Y C -3.328 172.674 175.900 0.170 0.000 1.196 392 Y CA -2.942 55.263 58.100 0.175 0.000 1.119 392 Y CB -0.017 38.553 38.460 0.183 0.000 1.368 392 Y HN -0.054 nan 8.280 nan 0.000 0.463 393 P HA 0.162 nan 4.420 nan 0.000 0.268 393 P C -0.588 176.999 177.300 0.478 0.000 1.205 393 P CA 0.147 63.496 63.100 0.415 0.000 0.771 393 P CB 0.602 32.478 31.700 0.293 0.000 0.858 394 N N 0.498 119.501 118.700 0.504 0.000 2.447 394 N HA 0.091 4.847 4.740 0.027 0.000 0.271 394 N C 0.119 175.887 175.510 0.430 0.000 1.226 394 N CA -0.586 52.685 53.050 0.369 0.000 0.980 394 N CB 0.345 38.870 38.487 0.064 0.000 1.206 394 N HN 0.596 nan 8.380 nan 0.000 0.558 395 H N 2.170 121.365 119.070 0.209 0.000 3.001 395 H HA -0.005 4.567 4.556 0.027 0.000 0.334 395 H C -1.576 173.934 175.328 0.303 0.000 1.034 395 H CA -0.728 55.427 56.048 0.178 0.000 1.420 395 H CB 0.993 30.828 29.762 0.122 0.000 1.405 395 H HN 0.426 nan 8.280 nan 0.000 0.593 396 P HA -0.216 nan 4.420 nan 0.000 0.217 396 P C 1.790 179.406 177.300 0.526 0.000 1.148 396 P CA 0.817 64.165 63.100 0.413 0.000 0.828 396 P CB 0.222 32.013 31.700 0.151 0.000 0.783 397 L N -1.165 120.435 121.223 0.628 0.000 2.201 397 L HA -0.032 4.324 4.340 0.027 0.000 0.212 397 L C 2.420 179.439 176.870 0.249 0.000 1.105 397 L CA 1.325 56.386 54.840 0.367 0.000 0.775 397 L CB -1.341 40.871 42.059 0.256 0.000 0.913 397 L HN 0.010 nan 8.230 nan 0.000 0.440 398 W N -0.482 120.851 121.300 0.056 0.000 2.335 398 W HA -0.330 4.345 4.660 0.026 0.000 0.311 398 W C 2.068 178.436 176.519 -0.252 0.000 1.213 398 W CA 1.937 59.181 57.345 -0.169 0.000 1.274 398 W CB -0.347 28.914 29.460 -0.331 0.000 1.148 398 W HN 0.268 nan 8.180 nan 0.000 0.498 399 Y N 0.641 120.864 120.300 -0.128 0.000 2.181 399 Y HA -0.212 4.354 4.550 0.026 0.000 0.288 399 Y C 2.873 178.532 175.900 -0.403 0.000 1.146 399 Y CA 2.165 59.974 58.100 -0.485 0.000 1.164 399 Y CB -1.351 36.488 38.460 -1.035 0.000 0.982 399 Y HN -0.233 nan 8.280 nan 0.000 0.515 400 T N 0.628 115.184 114.554 0.002 0.000 2.788 400 T HA -0.151 4.216 4.350 0.027 0.000 0.268 400 T C 1.978 176.699 174.700 0.036 0.000 1.044 400 T CA 1.302 63.475 62.100 0.121 0.000 1.139 400 T CB -0.502 68.491 68.868 0.209 0.000 0.867 400 T HN 0.233 nan 8.240 nan 0.000 0.454 401 L N 0.165 121.365 121.223 -0.039 0.000 2.093 401 L HA -0.072 4.285 4.340 0.027 0.000 0.208 401 L C 2.821 179.662 176.870 -0.048 0.000 1.085 401 L CA 0.784 55.630 54.840 0.010 0.000 0.755 401 L CB -0.589 41.438 42.059 -0.053 0.000 0.904 401 L HN 0.371 nan 8.230 nan 0.000 0.435 402 C N -0.177 118.930 119.300 -0.322 0.000 2.425 402 C HA -0.143 4.333 4.460 0.027 0.000 0.277 402 C C 2.412 177.438 174.990 0.059 0.000 1.280 402 C CA 0.444 59.309 59.018 -0.256 0.000 1.744 402 C CB -0.746 26.726 27.740 -0.448 0.000 1.989 402 C HN 0.542 nan 8.230 nan 0.000 0.491 403 D N 0.490 120.930 120.400 0.066 0.000 2.117 403 D HA -0.100 4.556 4.640 0.027 0.000 0.197 403 D C 2.372 178.873 176.300 0.335 0.000 0.987 403 D CA 1.218 55.330 54.000 0.187 0.000 0.829 403 D CB -0.365 40.501 40.800 0.109 0.000 0.961 403 D HN 0.532 nan 8.370 nan 0.000 0.460 404 R N -1.021 119.567 120.500 0.146 0.000 2.127 404 R HA 0.025 4.381 4.340 0.027 0.000 0.217 404 R C 2.044 178.300 176.300 -0.073 0.000 1.074 404 R CA 0.474 56.596 56.100 0.036 0.000 0.991 404 R CB -0.108 30.137 30.300 -0.093 0.000 0.895 404 R HN 0.285 nan 8.270 nan 0.000 0.450 405 Y N -0.048 120.267 120.300 0.025 0.000 2.448 405 Y HA 0.167 4.733 4.550 0.026 0.000 0.289 405 Y C 1.033 176.869 175.900 -0.108 0.000 1.114 405 Y CA 0.724 58.810 58.100 -0.024 0.000 1.235 405 Y CB 0.733 39.150 38.460 -0.072 0.000 1.045 405 Y HN 0.215 nan 8.280 nan 0.000 0.554 406 G N 1.247 110.084 108.800 0.062 0.000 2.894 406 G HA2 -0.155 3.821 3.960 0.027 0.000 0.263 406 G HA3 -0.155 3.821 3.960 0.027 0.000 0.263 406 G C -1.137 173.612 174.900 -0.252 0.000 1.013 406 G CA -0.551 44.456 45.100 -0.156 0.000 1.226 406 G HN 0.160 nan 8.290 nan 0.000 0.563 407 L N 0.762 121.918 121.223 -0.111 0.000 2.422 407 L HA 0.537 4.893 4.340 0.027 0.000 0.264 407 L C 0.030 176.893 176.870 -0.012 0.000 0.984 407 L CA -1.363 53.363 54.840 -0.190 0.000 0.819 407 L CB 2.028 43.998 42.059 -0.148 0.000 1.330 407 L HN 0.427 nan 8.230 nan 0.000 0.410 408 Y N 1.604 122.027 120.300 0.205 0.000 2.359 408 Y HA 0.401 4.969 4.550 0.030 0.000 0.330 408 Y C 0.153 176.178 175.900 0.208 0.000 1.143 408 Y CA -0.680 57.576 58.100 0.260 0.000 1.318 408 Y CB 1.365 39.957 38.460 0.220 0.000 1.234 408 Y HN 0.147 nan 8.280 nan 0.000 0.522 409 V N 4.125 124.222 119.914 0.304 0.000 2.680 409 V HA 0.317 4.453 4.120 0.027 0.000 0.309 409 V C -0.630 175.537 176.094 0.122 0.000 1.052 409 V CA -1.042 61.374 62.300 0.194 0.000 0.908 409 V CB 2.010 33.906 31.823 0.122 0.000 1.001 409 V HN 0.447 nan 8.190 nan 0.000 0.431 410 V N 3.042 122.989 119.914 0.056 0.000 2.348 410 V HA 0.314 4.450 4.120 0.027 0.000 0.270 410 V C -0.261 175.857 176.094 0.040 0.000 1.037 410 V CA -0.341 61.943 62.300 -0.026 0.000 0.872 410 V CB 1.342 33.037 31.823 -0.214 0.000 1.002 410 V HN 0.863 nan 8.190 nan 0.000 0.464 411 D N 4.254 124.726 120.400 0.120 0.000 2.280 411 D HA 0.311 4.967 4.640 0.027 0.000 0.243 411 D C -0.192 176.301 176.300 0.322 0.000 1.129 411 D CA -0.042 54.132 54.000 0.288 0.000 0.848 411 D CB 1.249 42.278 40.800 0.382 0.000 1.107 411 D HN 0.711 nan 8.370 nan 0.000 0.471 412 E N 1.910 122.260 120.200 0.250 0.000 2.210 412 E HA 0.624 4.990 4.350 0.027 0.000 0.266 412 E C -1.069 175.670 176.600 0.232 0.000 0.883 412 E CA -1.075 55.460 56.400 0.225 0.000 0.761 412 E CB 1.370 31.153 29.700 0.137 0.000 1.156 412 E HN 0.433 nan 8.360 nan 0.000 0.412 413 A N 3.815 126.764 122.820 0.216 0.000 2.498 413 A HA 0.057 4.393 4.320 0.027 0.000 0.239 413 A C 0.304 178.016 177.584 0.213 0.000 1.068 413 A CA -0.196 51.949 52.037 0.179 0.000 0.766 413 A CB 0.099 19.168 19.000 0.116 0.000 1.003 413 A HN 0.694 nan 8.150 nan 0.000 0.497 414 N N 1.521 120.356 118.700 0.224 0.000 2.971 414 N HA 0.242 4.998 4.740 0.027 0.000 0.294 414 N C -1.013 174.629 175.510 0.220 0.000 1.210 414 N CA 0.254 53.469 53.050 0.275 0.000 1.157 414 N CB -0.819 37.825 38.487 0.262 0.000 1.450 414 N HN 0.484 nan 8.380 nan 0.000 0.527 415 I N 1.061 121.756 120.570 0.210 0.000 2.497 415 I HA 0.256 4.442 4.170 0.027 0.000 0.284 415 I C -0.619 175.607 176.117 0.182 0.000 1.060 415 I CA -0.600 60.806 61.300 0.177 0.000 1.071 415 I CB 1.798 39.877 38.000 0.133 0.000 1.216 415 I HN 0.249 nan 8.210 nan 0.000 0.442 416 E N 4.433 124.736 120.200 0.172 0.000 2.294 416 E HA 0.354 4.720 4.350 0.027 0.000 0.272 416 E C -0.654 176.017 176.600 0.119 0.000 0.896 416 E CA -0.452 56.023 56.400 0.125 0.000 0.802 416 E CB 1.587 31.347 29.700 0.099 0.000 1.267 416 E HN 0.598 nan 8.360 nan 0.000 0.406 417 T N 0.693 115.310 114.554 0.105 0.000 3.448 417 T HA 0.163 4.529 4.350 0.027 0.000 0.271 417 T C 0.845 175.605 174.700 0.099 0.000 1.002 417 T CA -0.384 61.802 62.100 0.143 0.000 0.995 417 T CB -0.245 68.689 68.868 0.111 0.000 1.153 417 T HN 0.658 nan 8.240 nan 0.000 0.510 418 H N 1.111 120.102 119.070 -0.132 0.000 2.390 418 H HA -0.042 4.531 4.556 0.028 0.000 0.298 418 H C 2.257 177.468 175.328 -0.195 0.000 1.106 418 H CA 1.213 57.159 56.048 -0.171 0.000 1.297 418 H CB -0.136 29.496 29.762 -0.218 0.000 1.375 418 H HN 0.593 nan 8.280 nan 0.000 0.509 419 G N 0.238 108.883 108.800 -0.258 0.000 2.848 419 G HA2 -0.013 3.964 3.960 0.027 0.000 0.208 419 G HA3 -0.013 3.964 3.960 0.027 0.000 0.208 419 G C 0.503 175.505 174.900 0.169 0.000 1.152 419 G CA -0.222 44.772 45.100 -0.177 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.531 420 M N 0.462 120.211 119.600 0.249 0.000 2.232 420 M HA 0.279 4.776 4.480 0.027 0.000 0.321 420 M C -0.353 175.986 176.300 0.065 0.000 1.101 420 M CA -0.055 55.345 55.300 0.167 0.000 1.181 420 M CB 1.335 33.989 32.600 0.090 0.000 1.432 420 M HN -0.205 nan 8.290 nan 0.000 0.457 421 V N 3.566 123.496 119.914 0.027 0.000 2.482 421 V HA 0.364 4.500 4.120 0.027 0.000 0.295 421 V C -1.943 174.146 176.094 -0.008 0.000 1.026 421 V CA -1.349 60.953 62.300 0.004 0.000 0.856 421 V CB 1.750 33.570 31.823 -0.006 0.000 1.001 421 V HN 0.732 nan 8.190 nan 0.000 0.424 422 P HA 0.210 nan 4.420 nan 0.000 0.274 422 P C 1.018 178.325 177.300 0.011 0.000 1.260 422 P CA -0.451 62.650 63.100 0.000 0.000 0.793 422 P CB 0.990 32.691 31.700 0.002 0.000 1.048 423 M N 0.783 120.396 119.600 0.023 0.000 2.202 423 M HA -0.197 4.299 4.480 0.027 0.000 0.262 423 M C 1.218 177.546 176.300 0.046 0.000 1.063 423 M CA 2.001 57.327 55.300 0.042 0.000 1.097 423 M CB -0.481 32.139 32.600 0.033 0.000 1.382 423 M HN 0.379 nan 8.290 nan 0.000 0.413 424 N N -0.193 118.532 118.700 0.043 0.000 2.313 424 N HA -0.071 4.686 4.740 0.027 0.000 0.207 424 N C 1.118 176.613 175.510 -0.025 0.000 1.141 424 N CA 0.195 53.270 53.050 0.041 0.000 0.830 424 N CB -0.715 37.813 38.487 0.068 0.000 1.008 424 N HN 0.353 nan 8.380 nan 0.000 0.481 425 R N 0.332 120.805 120.500 -0.046 0.000 2.103 425 R HA -0.013 4.344 4.340 0.027 0.000 0.242 425 R C 1.443 177.649 176.300 -0.158 0.000 1.142 425 R CA 1.434 57.481 56.100 -0.088 0.000 0.960 425 R CB -0.052 30.191 30.300 -0.096 0.000 0.858 425 R HN 0.302 nan 8.270 nan 0.000 0.439 426 L N -0.908 120.163 121.223 -0.254 0.000 2.168 426 L HA -0.006 4.350 4.340 0.027 0.000 0.203 426 L C 2.451 179.187 176.870 -0.223 0.000 1.078 426 L CA 1.279 55.852 54.840 -0.445 0.000 0.780 426 L CB -0.436 41.117 42.059 -0.843 0.000 0.939 426 L HN 0.346 nan 8.230 nan 0.000 0.451 427 T N -4.406 110.045 114.554 -0.170 0.000 3.035 427 T HA -0.150 4.216 4.350 0.027 0.000 0.268 427 T C 1.287 175.893 174.700 -0.156 0.000 1.109 427 T CA 1.095 63.074 62.100 -0.202 0.000 1.119 427 T CB -0.210 68.481 68.868 -0.296 0.000 0.900 427 T HN 0.095 nan 8.240 nan 0.000 0.503 428 D N 1.109 121.455 120.400 -0.090 0.000 2.339 428 D HA 0.090 4.747 4.640 0.027 0.000 0.217 428 D C -0.192 176.087 176.300 -0.034 0.000 1.050 428 D CA -0.132 53.827 54.000 -0.068 0.000 0.856 428 D CB -0.123 40.647 40.800 -0.051 0.000 0.922 428 D HN 0.304 nan 8.370 nan 0.000 0.518 429 D N -0.105 120.290 120.400 -0.008 0.000 2.359 429 D HA 0.112 4.769 4.640 0.027 0.000 0.230 429 D C -1.644 174.706 176.300 0.084 0.000 1.118 429 D CA -2.200 51.835 54.000 0.058 0.000 0.844 429 D CB 1.929 42.811 40.800 0.135 0.000 1.059 429 D HN -0.016 nan 8.370 nan 0.000 0.493 430 P HA -0.121 nan 4.420 nan 0.000 0.219 430 P C 0.949 178.253 177.300 0.008 0.000 1.146 430 P CA 0.782 63.891 63.100 0.015 0.000 0.808 430 P CB 0.281 31.979 31.700 -0.004 0.000 0.779 431 R N -1.884 118.626 120.500 0.017 0.000 2.285 431 R HA -0.069 4.288 4.340 0.027 0.000 0.213 431 R C 1.397 177.573 176.300 -0.207 0.000 1.068 431 R CA 0.991 57.033 56.100 -0.097 0.000 1.004 431 R CB -0.524 29.707 30.300 -0.116 0.000 0.873 431 R HN 0.332 nan 8.270 nan 0.000 0.467 432 W N -0.327 120.918 121.300 -0.091 0.000 3.220 432 W HA 0.150 4.826 4.660 0.026 0.000 0.328 432 W C 1.447 177.908 176.519 -0.096 0.000 1.205 432 W CA -0.567 56.724 57.345 -0.091 0.000 1.773 432 W CB 0.065 29.469 29.460 -0.094 0.000 1.086 432 W HN -0.003 nan 8.180 nan 0.000 0.622 433 L N 2.269 123.523 121.223 0.050 0.000 2.012 433 L HA -0.065 4.291 4.340 0.027 0.000 0.210 433 L C -0.674 176.164 176.870 -0.053 0.000 1.073 433 L CA 2.327 57.157 54.840 -0.015 0.000 0.748 433 L CB -1.670 40.370 42.059 -0.033 0.000 0.891 433 L HN -0.234 nan 8.230 nan 0.000 0.431 434 P HA -0.143 nan 4.420 nan 0.000 0.214 434 P C 1.640 178.889 177.300 -0.084 0.000 1.163 434 P CA 2.199 65.240 63.100 -0.097 0.000 0.883 434 P CB -0.261 31.372 31.700 -0.111 0.000 0.788 435 A N -0.938 121.844 122.820 -0.063 0.000 1.908 435 A HA -0.210 4.127 4.320 0.027 0.000 0.218 435 A C 2.259 179.857 177.584 0.025 0.000 1.181 435 A CA 2.102 54.135 52.037 -0.006 0.000 0.627 435 A CB -1.521 17.508 19.000 0.047 0.000 0.818 435 A HN 0.113 nan 8.150 nan 0.000 0.445 436 M N -0.054 119.569 119.600 0.037 0.000 2.175 436 M HA -0.128 4.369 4.480 0.027 0.000 0.264 436 M C 2.547 178.798 176.300 -0.082 0.000 1.063 436 M CA 1.607 56.908 55.300 0.002 0.000 1.119 436 M CB -0.305 32.279 32.600 -0.027 0.000 1.377 436 M HN 0.665 nan 8.290 nan 0.000 0.415 437 S N 0.485 116.110 115.700 -0.126 0.000 2.370 437 S HA -0.202 4.284 4.470 0.027 0.000 0.226 437 S C 1.622 176.062 174.600 -0.267 0.000 1.033 437 S CA 1.628 59.688 58.200 -0.233 0.000 1.011 437 S CB -0.472 62.577 63.200 -0.252 0.000 0.852 437 S HN 0.523 nan 8.310 nan 0.000 0.457 438 E N 0.659 120.751 120.200 -0.181 0.000 2.204 438 E HA -0.061 4.305 4.350 0.027 0.000 0.195 438 E C 2.435 178.951 176.600 -0.139 0.000 0.990 438 E CA 0.816 57.113 56.400 -0.171 0.000 0.821 438 E CB -0.072 29.563 29.700 -0.108 0.000 0.750 438 E HN 0.565 nan 8.360 nan 0.000 0.477 439 R N -0.133 120.315 120.500 -0.086 0.000 2.092 439 R HA -0.087 4.270 4.340 0.027 0.000 0.231 439 R C 2.247 178.506 176.300 -0.067 0.000 1.119 439 R CA 0.891 56.971 56.100 -0.035 0.000 0.970 439 R CB -0.013 30.306 30.300 0.032 0.000 0.864 439 R HN 0.039 nan 8.270 nan 0.000 0.440 440 V N 0.247 120.079 119.914 -0.137 0.000 2.331 440 V HA -0.188 3.948 4.120 0.027 0.000 0.242 440 V C 2.502 178.422 176.094 -0.290 0.000 1.034 440 V CA 2.151 64.349 62.300 -0.171 0.000 1.027 440 V CB -0.427 31.289 31.823 -0.179 0.000 0.667 440 V HN 0.535 nan 8.190 nan 0.000 0.457 441 T N -0.665 113.593 114.554 -0.495 0.000 2.788 441 T HA -0.230 4.137 4.350 0.027 0.000 0.268 441 T C 1.929 176.467 174.700 -0.269 0.000 1.044 441 T CA 1.361 63.083 62.100 -0.631 0.000 1.139 441 T CB -0.406 67.892 68.868 -0.950 0.000 0.867 441 T HN 0.410 nan 8.240 nan 0.000 0.454 442 R N 0.252 120.622 120.500 -0.217 0.000 2.189 442 R HA 0.235 4.591 4.340 0.027 0.000 0.218 442 R C 2.600 178.820 176.300 -0.133 0.000 1.074 442 R CA 1.245 57.253 56.100 -0.153 0.000 0.991 442 R CB -0.435 29.784 30.300 -0.136 0.000 0.883 442 R HN 0.494 nan 8.270 nan 0.000 0.457 443 M N 0.447 119.975 119.600 -0.120 0.000 2.156 443 M HA -0.105 4.391 4.480 0.027 0.000 0.264 443 M C 1.767 177.984 176.300 -0.137 0.000 1.067 443 M CA 1.523 56.780 55.300 -0.072 0.000 1.131 443 M CB 0.185 32.782 32.600 -0.005 0.000 1.368 443 M HN -0.034 nan 8.290 nan 0.000 0.416 444 V N 1.080 120.808 119.914 -0.310 0.000 2.343 444 V HA -0.271 3.866 4.120 0.027 0.000 0.247 444 V C 2.240 178.215 176.094 -0.198 0.000 1.051 444 V CA 1.934 63.923 62.300 -0.518 0.000 1.036 444 V CB -0.853 30.637 31.823 -0.555 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.661 119.064 119.800 -0.125 0.000 2.224 445 Q HA -0.193 4.164 4.340 0.027 0.000 0.203 445 Q C 2.437 178.346 176.000 -0.151 0.000 0.970 445 Q CA 1.370 57.108 55.803 -0.107 0.000 0.865 445 Q CB -0.141 28.560 28.738 -0.061 0.000 0.922 445 Q HN 0.536 nan 8.270 nan 0.000 0.445 446 R N 0.333 120.737 120.500 -0.160 0.000 2.080 446 R HA -0.083 4.273 4.340 0.027 0.000 0.222 446 R C 0.532 176.748 176.300 -0.140 0.000 1.107 446 R CA 1.271 57.251 56.100 -0.201 0.000 0.980 446 R CB 0.426 30.611 30.300 -0.191 0.000 0.879 446 R HN 0.119 nan 8.270 nan 0.000 0.439 447 D N -0.228 120.159 120.400 -0.021 0.000 2.369 447 D HA -0.004 4.652 4.640 0.027 0.000 0.211 447 D C 1.320 177.735 176.300 0.191 0.000 1.077 447 D CA 0.129 54.173 54.000 0.074 0.000 0.842 447 D CB 0.260 41.072 40.800 0.019 0.000 0.947 447 D HN 0.351 nan 8.370 nan 0.000 0.509 448 R N 0.554 121.171 120.500 0.193 0.000 2.241 448 R HA -0.000 4.356 4.340 0.027 0.000 0.224 448 R C 0.712 176.996 176.300 -0.026 0.000 1.101 448 R CA 0.914 57.130 56.100 0.194 0.000 0.995 448 R CB -0.248 30.084 30.300 0.054 0.000 0.870 448 R HN -0.084 nan 8.270 nan 0.000 0.463 449 N N 0.275 118.882 118.700 -0.155 0.000 2.336 449 N HA 0.006 4.762 4.740 0.027 0.000 0.189 449 N C -0.564 174.794 175.510 -0.253 0.000 1.113 449 N CA 0.200 53.129 53.050 -0.203 0.000 0.858 449 N CB 0.123 38.460 38.487 -0.250 0.000 0.970 449 N HN 0.284 nan 8.380 nan 0.000 0.471 450 H N 1.391 120.393 119.070 -0.115 0.000 2.800 450 H HA 0.100 4.672 4.556 0.026 0.000 0.291 450 H C -1.191 173.981 175.328 -0.261 0.000 1.076 450 H CA -1.227 54.736 56.048 -0.142 0.000 1.452 450 H CB 1.460 31.178 29.762 -0.074 0.000 1.461 450 H HN 0.068 nan 8.280 nan 0.000 0.488 451 P HA -0.155 nan 4.420 nan 0.000 0.218 451 P C 1.448 178.288 177.300 -0.767 0.000 1.149 451 P CA 1.115 63.860 63.100 -0.592 0.000 0.817 451 P CB 0.287 31.395 31.700 -0.987 0.000 0.785 452 S N -0.788 114.557 115.700 -0.592 0.000 2.419 452 S HA -0.045 4.442 4.470 0.027 0.000 0.233 452 S C 1.117 175.688 174.600 -0.049 0.000 1.016 452 S CA 0.380 58.401 58.200 -0.298 0.000 0.974 452 S CB -1.491 61.686 63.200 -0.039 0.000 0.786 452 S HN -0.060 nan 8.310 nan 0.000 0.492 453 V N 3.715 123.576 119.914 -0.088 0.000 2.439 453 V HA 0.213 4.349 4.120 0.027 0.000 0.271 453 V C 1.172 177.128 176.094 -0.231 0.000 1.040 453 V CA 0.012 62.225 62.300 -0.145 0.000 1.002 453 V CB 0.397 32.042 31.823 -0.297 0.000 1.000 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.765 123.256 120.570 -0.132 0.000 4.035 454 I HA 0.492 4.678 4.170 0.027 0.000 0.321 454 I C 0.406 176.406 176.117 -0.195 0.000 1.289 454 I CA 0.565 61.797 61.300 -0.114 0.000 1.236 454 I CB 0.444 38.458 38.000 0.022 0.000 1.076 454 I HN 0.321 nan 8.210 nan 0.000 0.418 455 I N 0.028 120.453 120.570 -0.241 0.000 2.692 455 I HA 0.339 4.525 4.170 0.027 0.000 0.293 455 I C -1.588 174.414 176.117 -0.190 0.000 1.200 455 I CA -0.409 60.789 61.300 -0.170 0.000 1.036 455 I CB 2.137 40.136 38.000 -0.001 0.000 1.258 455 I HN 0.022 nan 8.210 nan 0.000 0.421 456 W N 3.795 125.143 121.300 0.080 0.000 2.438 456 W HA 0.612 5.285 4.660 0.023 0.000 0.324 456 W C 0.424 177.008 176.519 0.109 0.000 1.119 456 W CA -0.645 56.754 57.345 0.091 0.000 1.221 456 W CB 1.670 31.180 29.460 0.083 0.000 1.253 456 W HN 0.312 nan 8.180 nan 0.000 0.555 457 S N 2.779 118.711 115.700 0.386 0.000 2.482 457 S HA 0.369 4.855 4.470 0.027 0.000 0.303 457 S C 0.365 175.138 174.600 0.287 0.000 1.091 457 S CA -0.715 57.663 58.200 0.298 0.000 1.057 457 S CB 0.810 64.139 63.200 0.215 0.000 1.031 457 S HN 0.589 nan 8.310 nan 0.000 0.485 458 L N 4.180 125.569 121.223 0.276 0.000 2.622 458 L HA 0.281 4.637 4.340 0.027 0.000 0.233 458 L C 1.440 178.383 176.870 0.122 0.000 1.156 458 L CA 0.627 55.548 54.840 0.135 0.000 0.866 458 L CB -1.192 40.834 42.059 -0.055 0.000 0.980 458 L HN 1.007 nan 8.230 nan 0.000 0.448 459 G N -0.138 108.819 108.800 0.262 0.000 2.280 459 G HA2 -0.127 3.850 3.960 0.027 0.000 0.277 459 G HA3 -0.127 3.850 3.960 0.027 0.000 0.277 459 G C -1.595 173.518 174.900 0.355 0.000 1.288 459 G CA -0.482 44.782 45.100 0.273 0.000 1.075 459 G HN 0.181 nan 8.290 nan 0.000 0.480 460 N N 0.052 118.905 118.700 0.254 0.000 2.367 460 N HA 0.468 5.224 4.740 0.027 0.000 0.278 460 N C -0.479 175.005 175.510 -0.043 0.000 1.117 460 N CA 0.144 53.206 53.050 0.019 0.000 0.867 460 N CB 1.592 39.845 38.487 -0.389 0.000 1.649 460 N HN 0.908 nan 8.380 nan 0.000 0.479 461 E N 0.699 120.786 120.200 -0.190 0.000 2.197 461 E HA -0.174 4.192 4.350 0.027 0.000 0.184 461 E C -0.881 175.656 176.600 -0.105 0.000 1.439 461 E CA 0.824 57.033 56.400 -0.319 0.000 0.688 461 E CB -1.313 27.955 29.700 -0.719 0.000 1.090 461 E HN 0.444 nan 8.360 nan 0.000 0.341 462 S N 0.056 115.836 115.700 0.133 0.000 2.902 462 S HA 0.414 4.900 4.470 0.027 0.000 0.250 462 S C 0.619 175.398 174.600 0.299 0.000 1.046 462 S CA -0.197 58.132 58.200 0.215 0.000 1.069 462 S CB 1.387 64.757 63.200 0.283 0.000 0.967 462 S HN 0.844 nan 8.310 nan 0.000 0.530 463 G N 1.993 110.900 108.800 0.178 0.000 2.598 463 G HA2 -0.270 3.706 3.960 0.027 0.000 0.269 463 G HA3 -0.270 3.706 3.960 0.027 0.000 0.269 463 G C -0.502 174.609 174.900 0.352 0.000 1.289 463 G CA -0.106 45.102 45.100 0.181 0.000 0.926 463 G HN 0.656 nan 8.290 nan 0.000 0.567 464 H N 0.506 119.701 119.070 0.209 0.000 2.727 464 H HA 0.575 5.147 4.556 0.028 0.000 0.330 464 H C 0.320 175.817 175.328 0.282 0.000 0.986 464 H CA -0.065 56.147 56.048 0.274 0.000 1.251 464 H CB 0.695 30.552 29.762 0.159 0.000 1.493 464 H HN 1.049 nan 8.280 nan 0.000 0.515 465 G N 1.495 110.379 108.800 0.141 0.000 2.630 465 G HA2 0.447 4.423 3.960 0.027 0.000 0.296 465 G HA3 0.447 4.423 3.960 0.027 0.000 0.296 465 G C 0.533 175.302 174.900 -0.218 0.000 1.285 465 G CA -0.153 44.866 45.100 -0.135 0.000 0.958 465 G HN 0.663 nan 8.290 nan 0.000 0.479 466 A N 0.244 122.968 122.820 -0.161 0.000 2.024 466 A HA -0.095 4.241 4.320 0.027 0.000 0.220 466 A C 2.133 179.687 177.584 -0.051 0.000 1.164 466 A CA 1.906 53.889 52.037 -0.091 0.000 0.643 466 A CB -0.452 18.519 19.000 -0.048 0.000 0.806 466 A HN 0.537 nan 8.150 nan 0.000 0.451 467 N N -0.180 118.452 118.700 -0.114 0.000 2.149 467 N HA -0.165 4.591 4.740 0.027 0.000 0.188 467 N C 1.398 176.845 175.510 -0.104 0.000 1.019 467 N CA 1.809 54.780 53.050 -0.132 0.000 0.857 467 N CB -0.686 37.682 38.487 -0.198 0.000 0.997 467 N HN 0.795 nan 8.380 nan 0.000 0.426 468 H N 0.261 119.313 119.070 -0.032 0.000 2.357 468 H HA -0.022 4.550 4.556 0.027 0.000 0.301 468 H C 1.269 176.667 175.328 0.117 0.000 1.082 468 H CA 1.242 57.285 56.048 -0.009 0.000 1.342 468 H CB 0.142 29.904 29.762 -0.000 0.000 1.389 468 H HN 0.170 nan 8.280 nan 0.000 0.511 469 D N 0.335 120.893 120.400 0.263 0.000 2.144 469 D HA -0.119 4.537 4.640 0.027 0.000 0.199 469 D C 2.286 178.739 176.300 0.256 0.000 0.984 469 D CA 1.131 55.290 54.000 0.264 0.000 0.834 469 D CB -0.386 40.535 40.800 0.202 0.000 0.955 469 D HN 0.424 nan 8.370 nan 0.000 0.465 470 A N 0.705 123.622 122.820 0.163 0.000 1.902 470 A HA -0.119 4.217 4.320 0.027 0.000 0.217 470 A C 2.394 180.087 177.584 0.181 0.000 1.181 470 A CA 0.966 53.088 52.037 0.142 0.000 0.623 470 A CB -0.738 18.305 19.000 0.071 0.000 0.818 470 A HN 0.206 nan 8.150 nan 0.000 0.443 471 L N -2.152 119.164 121.223 0.155 0.000 2.156 471 L HA -0.122 4.234 4.340 0.027 0.000 0.208 471 L C 2.561 179.572 176.870 0.236 0.000 1.095 471 L CA 1.414 56.346 54.840 0.153 0.000 0.770 471 L CB -0.653 41.428 42.059 0.037 0.000 0.914 471 L HN 0.613 nan 8.230 nan 0.000 0.439 472 Y N 1.299 121.685 120.300 0.144 0.000 2.128 472 Y HA -0.329 4.234 4.550 0.021 0.000 0.284 472 Y C 2.793 178.778 175.900 0.142 0.000 1.154 472 Y CA 1.804 59.992 58.100 0.147 0.000 1.149 472 Y CB -0.146 38.403 38.460 0.148 0.000 0.976 472 Y HN -0.027 nan 8.280 nan 0.000 0.505 473 R N -0.200 120.405 120.500 0.174 0.000 2.092 473 R HA -0.183 4.173 4.340 0.027 0.000 0.231 473 R C 2.038 178.338 176.300 0.000 0.000 1.119 473 R CA 1.856 57.983 56.100 0.045 0.000 0.970 473 R CB -1.415 28.993 30.300 0.180 0.000 0.864 473 R HN 0.638 nan 8.270 nan 0.000 0.440 474 W N 0.587 121.845 121.300 -0.069 0.000 2.333 474 W HA -0.163 4.513 4.660 0.027 0.000 0.316 474 W C 1.623 178.052 176.519 -0.149 0.000 1.215 474 W CA 2.114 59.404 57.345 -0.090 0.000 1.278 474 W CB -0.266 29.145 29.460 -0.082 0.000 1.154 474 W HN 0.075 nan 8.180 nan 0.000 0.486 475 I N 0.782 121.364 120.570 0.020 0.000 2.179 475 I HA -0.349 3.837 4.170 0.027 0.000 0.242 475 I C 2.442 178.357 176.117 -0.337 0.000 1.088 475 I CA 1.396 62.538 61.300 -0.264 0.000 1.357 475 I CB -0.785 37.127 38.000 -0.146 0.000 1.051 475 I HN -0.086 nan 8.210 nan 0.000 0.409 476 K N 0.365 120.575 120.400 -0.317 0.000 2.152 476 K HA -0.183 4.153 4.320 0.027 0.000 0.206 476 K C 2.270 178.733 176.600 -0.228 0.000 1.048 476 K CA 1.519 57.644 56.287 -0.269 0.000 0.933 476 K CB -0.534 31.760 32.500 -0.343 0.000 0.721 476 K HN 0.253 nan 8.250 nan 0.000 0.447 477 S N 0.947 116.476 115.700 -0.284 0.000 2.357 477 S HA -0.091 4.395 4.470 0.027 0.000 0.221 477 S C 2.061 176.451 174.600 -0.350 0.000 1.031 477 S CA 1.275 59.310 58.200 -0.275 0.000 0.982 477 S CB -0.151 62.886 63.200 -0.272 0.000 0.853 477 S HN 0.201 nan 8.310 nan 0.000 0.458 478 V N -0.652 118.913 119.914 -0.582 0.000 2.719 478 V HA 0.228 4.364 4.120 0.027 0.000 0.252 478 V C 0.276 176.152 176.094 -0.363 0.000 1.065 478 V CA 1.538 63.497 62.300 -0.569 0.000 1.086 478 V CB -0.365 30.889 31.823 -0.948 0.000 0.700 478 V HN 0.453 nan 8.190 nan 0.000 0.467 479 D N 0.164 120.392 120.400 -0.287 0.000 2.364 479 D HA 0.407 5.063 4.640 0.027 0.000 0.251 479 D C -2.370 173.916 176.300 -0.024 0.000 1.282 479 D CA -1.807 52.131 54.000 -0.104 0.000 0.927 479 D CB 1.744 42.563 40.800 0.032 0.000 1.267 479 D HN 0.162 nan 8.370 nan 0.000 0.531 480 P HA -0.009 nan 4.420 nan 0.000 0.241 480 P C 1.169 178.487 177.300 0.029 0.000 1.191 480 P CA 0.424 63.518 63.100 -0.011 0.000 0.771 480 P CB 0.194 31.884 31.700 -0.018 0.000 0.929 481 S N -1.290 114.436 115.700 0.043 0.000 2.515 481 S HA 0.046 4.532 4.470 0.027 0.000 0.231 481 S C 0.855 175.479 174.600 0.040 0.000 0.987 481 S CA 0.036 58.266 58.200 0.048 0.000 0.936 481 S CB -0.404 62.818 63.200 0.037 0.000 0.766 481 S HN 0.061 nan 8.310 nan 0.000 0.528 482 R N 0.958 121.494 120.500 0.059 0.000 2.686 482 R HA 0.557 4.913 4.340 0.027 0.000 0.283 482 R C -3.229 173.117 176.300 0.076 0.000 0.978 482 R CA -2.286 53.813 56.100 -0.002 0.000 0.897 482 R CB 1.433 31.600 30.300 -0.222 0.000 1.192 482 R HN 0.128 nan 8.270 nan 0.000 0.457 483 P HA 0.094 nan 4.420 nan 0.000 0.272 483 P C -0.849 176.553 177.300 0.170 0.000 1.230 483 P CA -0.368 62.794 63.100 0.103 0.000 0.788 483 P CB 0.693 32.439 31.700 0.077 0.000 0.949 484 V N 2.623 122.670 119.914 0.221 0.000 2.495 484 V HA 0.409 4.545 4.120 0.027 0.000 0.298 484 V C 0.169 176.452 176.094 0.315 0.000 1.031 484 V CA -0.304 62.178 62.300 0.304 0.000 0.871 484 V CB 1.243 33.221 31.823 0.259 0.000 0.988 484 V HN 0.608 nan 8.190 nan 0.000 0.432 485 Q N 3.831 123.797 119.800 0.277 0.000 2.433 485 Q HA 0.804 5.160 4.340 0.027 0.000 0.279 485 Q C -1.882 174.283 176.000 0.275 0.000 1.105 485 Q CA -0.927 55.003 55.803 0.212 0.000 0.815 485 Q CB 3.002 31.809 28.738 0.115 0.000 1.403 485 Q HN 0.618 nan 8.270 nan 0.000 0.435 486 Y N 0.290 120.604 120.300 0.024 0.000 2.357 486 Y HA 0.156 4.721 4.550 0.024 0.000 0.319 486 Y C -0.741 175.106 175.900 -0.089 0.000 1.225 486 Y CA -0.805 57.277 58.100 -0.030 0.000 1.095 486 Y CB 2.080 40.512 38.460 -0.046 0.000 1.302 486 Y HN 0.954 nan 8.280 nan 0.000 0.429 487 E N 3.273 122.941 120.200 -0.887 0.000 2.415 487 E HA 0.177 4.543 4.350 0.027 0.000 0.197 487 E C 0.566 176.724 176.600 -0.736 0.000 1.007 487 E CA 0.610 56.637 56.400 -0.622 0.000 0.890 487 E CB 0.367 29.848 29.700 -0.366 0.000 0.891 487 E HN 0.872 nan 8.360 nan 0.000 0.496 488 G N -0.031 107.940 108.800 -1.382 0.000 2.559 488 G HA2 0.261 4.238 3.960 0.027 0.000 0.235 488 G HA3 0.261 4.238 3.960 0.027 0.000 0.235 488 G C 0.800 175.559 174.900 -0.236 0.000 1.266 488 G CA 0.279 44.993 45.100 -0.643 0.000 0.847 488 G HN 0.348 nan 8.290 nan 0.000 0.583 489 G N -0.803 107.965 108.800 -0.053 0.000 2.160 489 G HA2 0.242 4.218 3.960 0.027 0.000 0.251 489 G HA3 0.242 4.218 3.960 0.027 0.000 0.251 489 G C 1.249 176.166 174.900 0.028 0.000 1.008 489 G CA 0.975 46.108 45.100 0.053 0.000 0.724 489 G HN 2.616 nan 8.290 nan 0.000 0.514 490 G N -1.560 107.249 108.800 0.015 0.000 2.192 490 G HA2 0.430 4.406 3.960 0.027 0.000 0.193 490 G HA3 0.430 4.406 3.960 0.027 0.000 0.193 490 G C 1.039 176.068 174.900 0.215 0.000 0.999 490 G CA 1.316 46.490 45.100 0.123 0.000 0.659 490 G HN 2.359 nan 8.290 nan 0.000 0.503 491 A N -0.222 122.603 122.820 0.009 0.000 3.661 491 A HA -0.141 4.195 4.320 0.027 0.000 0.269 491 A C 1.146 178.660 177.584 -0.116 0.000 1.056 491 A CA 2.644 54.624 52.037 -0.096 0.000 1.159 491 A CB -1.751 17.170 19.000 -0.131 0.000 1.105 491 A HN 2.137 nan 8.150 nan 0.000 0.907 492 D N -0.714 119.702 120.400 0.028 0.000 2.760 492 D HA 0.304 4.960 4.640 0.027 0.000 0.314 492 D C 0.394 176.691 176.300 -0.005 0.000 1.464 492 D CA 0.912 54.931 54.000 0.032 0.000 0.797 492 D CB -1.129 39.834 40.800 0.273 0.000 1.149 492 D HN 0.850 nan 8.370 nan 0.000 0.455 493 T N -2.277 112.206 114.554 -0.120 0.000 2.689 493 T HA 0.185 4.551 4.350 0.027 0.000 0.308 493 T C 1.576 176.135 174.700 -0.235 0.000 1.021 493 T CA 0.531 62.487 62.100 -0.239 0.000 0.973 493 T CB 0.726 69.213 68.868 -0.635 0.000 1.113 493 T HN 0.072 nan 8.240 nan 0.000 0.522 494 T N -2.491 111.915 114.554 -0.247 0.000 3.163 494 T HA 0.257 4.623 4.350 0.027 0.000 0.260 494 T C 1.425 175.869 174.700 -0.426 0.000 1.156 494 T CA 0.222 62.194 62.100 -0.213 0.000 1.072 494 T CB -0.466 68.365 68.868 -0.061 0.000 0.937 494 T HN 0.834 nan 8.240 nan 0.000 0.528 495 A N 0.427 123.005 122.820 -0.403 0.000 2.500 495 A HA 0.530 4.866 4.320 0.027 0.000 0.267 495 A C 0.747 178.157 177.584 -0.289 0.000 1.290 495 A CA -0.376 51.401 52.037 -0.433 0.000 0.928 495 A CB 0.158 19.177 19.000 0.033 0.000 1.066 495 A HN 0.406 nan 8.150 nan 0.000 0.516 496 T N -1.243 113.145 114.554 -0.277 0.000 2.971 496 T HA 0.357 4.723 4.350 0.027 0.000 0.304 496 T C -0.602 174.107 174.700 0.014 0.000 1.038 496 T CA -0.433 61.654 62.100 -0.022 0.000 1.007 496 T CB 1.195 70.049 68.868 -0.024 0.000 1.055 496 T HN 0.099 nan 8.240 nan 0.000 0.451 497 D N 2.975 123.470 120.400 0.159 0.000 2.348 497 D HA 0.251 4.907 4.640 0.027 0.000 0.211 497 D C 0.380 176.708 176.300 0.047 0.000 0.998 497 D CA 0.722 54.802 54.000 0.132 0.000 0.873 497 D CB 0.452 41.363 40.800 0.185 0.000 0.925 497 D HN 0.539 nan 8.370 nan 0.000 0.524 498 I N 0.932 121.512 120.570 0.017 0.000 2.545 498 I HA 0.250 4.436 4.170 0.027 0.000 0.292 498 I C -0.171 175.879 176.117 -0.112 0.000 1.040 498 I CA -0.898 60.378 61.300 -0.040 0.000 1.068 498 I CB 2.848 40.838 38.000 -0.018 0.000 1.251 498 I HN -0.354 nan 8.210 nan 0.000 0.424 499 I N 5.767 126.223 120.570 -0.191 0.000 2.494 499 I HA 0.026 4.213 4.170 0.027 0.000 0.289 499 I C 0.246 176.150 176.117 -0.355 0.000 1.106 499 I CA 0.095 61.180 61.300 -0.358 0.000 1.369 499 I CB 0.106 37.782 38.000 -0.541 0.000 1.410 499 I HN 0.685 nan 8.210 nan 0.000 0.523 500 C N 5.778 124.888 119.300 -0.317 0.000 3.401 500 C HA 0.474 4.951 4.460 0.027 0.000 0.204 500 C C -2.131 172.731 174.990 -0.214 0.000 1.522 500 C CA -2.301 56.587 59.018 -0.217 0.000 1.409 500 C CB -0.894 26.776 27.740 -0.116 0.000 1.967 500 C HN 0.406 nan 8.230 nan 0.000 0.496 501 P HA 0.290 nan 4.420 nan 0.000 0.273 501 P C -0.426 176.831 177.300 -0.072 0.000 1.250 501 P CA 0.398 63.408 63.100 -0.149 0.000 0.793 501 P CB 0.686 32.320 31.700 -0.111 0.000 1.011 502 M N -0.123 119.462 119.600 -0.024 0.000 2.181 502 M HA 0.450 4.946 4.480 0.027 0.000 0.323 502 M C -0.778 175.502 176.300 -0.032 0.000 1.004 502 M CA -0.713 54.473 55.300 -0.190 0.000 0.941 502 M CB 1.338 33.838 32.600 -0.167 0.000 1.579 502 M HN 0.325 nan 8.290 nan 0.000 0.427 503 Y N -0.445 120.038 120.300 0.305 0.000 4.668 503 Y HA -0.225 4.341 4.550 0.028 0.000 0.234 503 Y C 0.562 176.650 175.900 0.314 0.000 1.056 503 Y CA 0.449 58.733 58.100 0.307 0.000 2.025 503 Y CB -2.365 36.247 38.460 0.254 0.000 1.613 503 Y HN 0.980 nan 8.280 nan 0.000 0.653 504 A N 1.236 124.283 122.820 0.379 0.000 2.462 504 A HA 0.531 4.868 4.320 0.027 0.000 0.243 504 A C 0.785 178.609 177.584 0.399 0.000 1.076 504 A CA -0.357 51.913 52.037 0.388 0.000 0.773 504 A CB 0.356 19.629 19.000 0.455 0.000 1.010 504 A HN 0.422 nan 8.150 nan 0.000 0.493 505 R N 1.330 121.991 120.500 0.268 0.000 2.546 505 R HA 0.339 4.696 4.340 0.027 0.000 0.266 505 R C 1.014 177.292 176.300 -0.036 0.000 1.086 505 R CA -0.720 55.463 56.100 0.139 0.000 1.160 505 R CB 0.569 30.920 30.300 0.084 0.000 1.138 505 R HN 0.481 nan 8.270 nan 0.000 0.567 506 V N 0.611 120.342 119.914 -0.305 0.000 2.283 506 V HA -0.192 3.945 4.120 0.027 0.000 0.243 506 V C 0.972 176.952 176.094 -0.191 0.000 1.039 506 V CA 1.857 63.934 62.300 -0.373 0.000 1.016 506 V CB -0.249 31.221 31.823 -0.587 0.000 0.650 506 V HN 0.737 nan 8.190 nan 0.000 0.449 507 D N -1.393 118.927 120.400 -0.134 0.000 2.454 507 D HA 0.107 4.763 4.640 0.027 0.000 0.219 507 D C 0.890 177.174 176.300 -0.025 0.000 1.081 507 D CA 0.088 54.044 54.000 -0.073 0.000 0.867 507 D CB 0.722 41.483 40.800 -0.064 0.000 1.054 507 D HN 0.487 nan 8.370 nan 0.000 0.500 508 E N 1.695 121.886 120.200 -0.016 0.000 2.227 508 E HA 0.117 4.483 4.350 0.027 0.000 0.282 508 E C -0.787 175.817 176.600 0.006 0.000 1.015 508 E CA -0.628 55.770 56.400 -0.002 0.000 0.823 508 E CB 1.017 30.718 29.700 0.000 0.000 1.081 508 E HN -0.194 nan 8.360 nan 0.000 0.396 509 D N 3.487 123.889 120.400 0.004 0.000 2.313 509 D HA 0.117 4.773 4.640 0.027 0.000 0.247 509 D C -0.574 175.619 176.300 -0.178 0.000 1.094 509 D CA 0.185 54.174 54.000 -0.019 0.000 0.925 509 D CB 1.173 42.017 40.800 0.074 0.000 1.188 509 D HN 0.417 nan 8.370 nan 0.000 0.430 510 Q N 1.293 120.875 119.800 -0.364 0.000 2.932 510 Q HA 0.235 4.591 4.340 0.027 0.000 0.248 510 Q C -2.192 173.184 176.000 -1.039 0.000 0.982 510 Q CA -1.493 53.887 55.803 -0.705 0.000 0.730 510 Q CB 2.202 30.553 28.738 -0.645 0.000 1.249 510 Q HN 0.168 nan 8.270 nan 0.000 0.476 511 P HA -0.031 nan 4.420 nan 0.000 0.232 511 P C -0.693 176.279 177.300 -0.547 0.000 1.738 511 P CA -0.059 62.618 63.100 -0.706 0.000 0.948 511 P CB -0.664 30.818 31.700 -0.363 0.000 1.943 512 F N 2.371 122.154 119.950 -0.278 0.000 2.602 512 F HA 0.115 4.657 4.527 0.026 0.000 0.367 512 F C -1.015 174.680 175.800 -0.175 0.000 1.126 512 F CA -2.244 55.648 58.000 -0.180 0.000 1.321 512 F CB -0.805 38.113 39.000 -0.138 0.000 1.094 512 F HN 0.084 nan 8.300 nan 0.000 0.594 513 P HA 0.068 nan 4.420 nan 0.000 0.265 513 P C 0.401 177.718 177.300 0.029 0.000 1.193 513 P CA 0.993 64.109 63.100 0.026 0.000 0.765 513 P CB 1.179 32.897 31.700 0.029 0.000 0.823 514 A N 3.018 125.848 122.820 0.017 0.000 2.617 514 A HA -0.254 4.082 4.320 0.027 0.000 0.236 514 A C 0.781 178.379 177.584 0.023 0.000 0.551 514 A CA 1.996 54.049 52.037 0.027 0.000 1.144 514 A CB -2.693 16.325 19.000 0.029 0.000 1.384 514 A HN 0.722 nan 8.150 nan 0.000 0.694 515 V N -3.294 116.627 119.914 0.012 0.000 2.647 515 V HA 0.519 4.655 4.120 0.027 0.000 0.305 515 V C -2.330 173.759 176.094 -0.009 0.000 1.162 515 V CA -1.207 61.101 62.300 0.013 0.000 1.248 515 V CB 0.419 32.253 31.823 0.018 0.000 1.508 515 V HN 0.460 nan 8.190 nan 0.000 0.647 516 P HA 0.164 nan 4.420 nan 0.000 0.269 516 P C -0.526 176.418 177.300 -0.593 0.000 1.217 516 P CA 0.399 63.161 63.100 -0.563 0.000 0.783 516 P CB 0.807 31.660 31.700 -1.411 0.000 0.898 517 K N 1.975 122.079 120.400 -0.493 0.000 2.478 517 K HA 0.203 4.539 4.320 0.027 0.000 0.236 517 K C -0.416 175.948 176.600 -0.393 0.000 1.021 517 K CA -0.283 55.889 56.287 -0.192 0.000 1.010 517 K CB 0.396 33.042 32.500 0.243 0.000 1.331 517 K HN 0.457 nan 8.250 nan 0.000 0.470 518 W N 1.336 122.323 121.300 -0.521 0.000 2.093 518 W HA 0.045 4.721 4.660 0.028 0.000 0.352 518 W C 1.347 177.872 176.519 0.010 0.000 1.294 518 W CA -0.462 56.668 57.345 -0.360 0.000 1.290 518 W CB 0.387 29.433 29.460 -0.690 0.000 1.149 518 W HN 0.366 nan 8.180 nan 0.000 0.606 519 S N 2.944 118.792 115.700 0.248 0.000 2.552 519 S HA -0.070 4.416 4.470 0.027 0.000 0.289 519 S C 1.182 175.928 174.600 0.243 0.000 1.304 519 S CA -0.152 58.146 58.200 0.163 0.000 1.063 519 S CB 0.157 63.401 63.200 0.072 0.000 0.848 519 S HN 0.529 nan 8.310 nan 0.000 0.499 520 I N 2.047 122.730 120.570 0.189 0.000 2.264 520 I HA -0.165 4.021 4.170 0.027 0.000 0.248 520 I C 2.079 178.219 176.117 0.039 0.000 1.111 520 I CA 1.357 62.764 61.300 0.178 0.000 1.382 520 I CB -0.414 37.643 38.000 0.095 0.000 1.060 520 I HN 0.609 nan 8.210 nan 0.000 0.418 521 K N 1.448 121.766 120.400 -0.137 0.000 2.057 521 K HA -0.175 4.162 4.320 0.027 0.000 0.207 521 K C 2.312 178.897 176.600 -0.025 0.000 1.049 521 K CA 1.842 57.953 56.287 -0.293 0.000 0.931 521 K CB -0.186 32.060 32.500 -0.424 0.000 0.714 521 K HN 0.397 nan 8.250 nan 0.000 0.440 522 K N 0.018 120.433 120.400 0.025 0.000 2.062 522 K HA -0.167 4.169 4.320 0.027 0.000 0.205 522 K C 1.930 178.563 176.600 0.055 0.000 1.051 522 K CA 0.873 57.169 56.287 0.015 0.000 0.941 522 K CB -0.098 32.383 32.500 -0.032 0.000 0.719 522 K HN 0.203 nan 8.250 nan 0.000 0.440 523 W N 2.132 123.416 121.300 -0.027 0.000 2.338 523 W HA -0.192 4.480 4.660 0.020 0.000 0.304 523 W C 1.582 178.081 176.519 -0.033 0.000 1.212 523 W CA 1.188 58.525 57.345 -0.014 0.000 1.264 523 W CB -0.607 28.921 29.460 0.114 0.000 1.142 523 W HN 0.102 nan 8.180 nan 0.000 0.512 524 L N 0.825 122.202 121.223 0.256 0.000 2.187 524 L HA -0.231 4.125 4.340 0.027 0.000 0.213 524 L C 2.115 179.051 176.870 0.111 0.000 1.100 524 L CA 1.899 56.824 54.840 0.142 0.000 0.765 524 L CB -0.928 41.202 42.059 0.119 0.000 0.904 524 L HN -0.007 nan 8.230 nan 0.000 0.437 525 S N -1.490 114.262 115.700 0.087 0.000 2.575 525 S HA 0.292 4.778 4.470 0.027 0.000 0.237 525 S C 0.495 175.087 174.600 -0.013 0.000 0.975 525 S CA -0.570 57.653 58.200 0.038 0.000 0.960 525 S CB -0.355 62.867 63.200 0.036 0.000 0.822 525 S HN 0.136 nan 8.310 nan 0.000 0.472 526 L N 1.753 122.959 121.223 -0.029 0.000 2.482 526 L HA 0.271 4.627 4.340 0.027 0.000 0.273 526 L C -2.253 174.584 176.870 -0.054 0.000 1.228 526 L CA -1.917 52.854 54.840 -0.115 0.000 0.827 526 L CB -0.394 41.555 42.059 -0.184 0.000 1.099 526 L HN 0.008 nan 8.230 nan 0.000 0.494 527 P HA -0.013 nan 4.420 nan 0.000 0.261 527 P C 0.720 178.012 177.300 -0.012 0.000 1.183 527 P CA 1.063 64.138 63.100 -0.040 0.000 0.761 527 P CB 0.505 32.175 31.700 -0.049 0.000 0.785 528 G N 1.889 110.688 108.800 -0.001 0.000 2.234 528 G HA2 -0.279 3.697 3.960 0.027 0.000 0.260 528 G HA3 -0.279 3.697 3.960 0.027 0.000 0.260 528 G C 0.295 175.210 174.900 0.026 0.000 0.987 528 G CA 0.095 45.202 45.100 0.013 0.000 0.625 528 G HN 0.610 nan 8.290 nan 0.000 0.532 529 E N 1.114 121.335 120.200 0.035 0.000 2.360 529 E HA 0.569 4.935 4.350 0.027 0.000 0.269 529 E C 1.377 178.001 176.600 0.040 0.000 1.022 529 E CA 0.814 57.247 56.400 0.055 0.000 0.887 529 E CB 0.730 30.491 29.700 0.101 0.000 0.990 529 E HN 0.575 nan 8.360 nan 0.000 0.426 530 T N 0.543 115.116 114.554 0.032 0.000 3.080 530 T HA 0.316 4.682 4.350 0.027 0.000 0.280 530 T C 0.537 175.245 174.700 0.012 0.000 0.926 530 T CA -0.472 61.641 62.100 0.022 0.000 0.883 530 T CB 0.085 68.965 68.868 0.021 0.000 1.194 530 T HN 0.253 nan 8.240 nan 0.000 0.541 531 R N 2.315 122.818 120.500 0.004 0.000 2.637 531 R HA 0.479 4.835 4.340 0.027 0.000 0.269 531 R C -2.542 173.736 176.300 -0.037 0.000 1.089 531 R CA -1.783 54.308 56.100 -0.015 0.000 1.177 531 R CB 0.014 30.297 30.300 -0.029 0.000 1.091 531 R HN 0.229 nan 8.270 nan 0.000 0.540 532 P HA 0.114 nan 4.420 nan 0.000 0.276 532 P C -1.111 176.119 177.300 -0.118 0.000 1.244 532 P CA -0.186 62.872 63.100 -0.070 0.000 0.801 532 P CB 0.702 32.361 31.700 -0.068 0.000 1.006 533 L N 2.302 123.436 121.223 -0.148 0.000 2.376 533 L HA 0.579 4.935 4.340 0.027 0.000 0.275 533 L C -1.119 175.611 176.870 -0.233 0.000 0.987 533 L CA -0.626 54.088 54.840 -0.209 0.000 0.828 533 L CB 0.676 42.607 42.059 -0.214 0.000 1.249 533 L HN 0.228 nan 8.230 nan 0.000 0.409 534 I N 5.689 126.125 120.570 -0.223 0.000 2.500 534 I HA 0.265 4.451 4.170 0.027 0.000 0.286 534 I C -0.754 175.270 176.117 -0.155 0.000 1.063 534 I CA -0.543 60.608 61.300 -0.248 0.000 1.062 534 I CB 1.986 39.897 38.000 -0.148 0.000 1.223 534 I HN 0.470 nan 8.210 nan 0.000 0.435 535 L N 5.541 126.641 121.223 -0.205 0.000 2.462 535 L HA 0.029 4.385 4.340 0.027 0.000 0.272 535 L C 1.504 178.459 176.870 0.142 0.000 1.166 535 L CA -0.114 54.683 54.840 -0.072 0.000 0.880 535 L CB 0.651 42.645 42.059 -0.109 0.000 1.142 535 L HN 0.871 nan 8.230 nan 0.000 0.473 536 C N 0.260 119.626 119.300 0.109 0.000 2.448 536 C HA 0.135 4.611 4.460 0.027 0.000 0.280 536 C C 0.605 175.757 174.990 0.271 0.000 1.398 536 C CA -0.176 58.956 59.018 0.189 0.000 1.774 536 C CB -1.086 26.677 27.740 0.039 0.000 1.888 536 C HN 0.824 nan 8.230 nan 0.000 0.519 537 E N -0.837 119.455 120.200 0.154 0.000 2.335 537 E HA 0.607 4.974 4.350 0.027 0.000 0.280 537 E C -1.378 175.193 176.600 -0.048 0.000 0.918 537 E CA -0.416 56.070 56.400 0.144 0.000 0.765 537 E CB 1.937 31.601 29.700 -0.059 0.000 1.218 537 E HN 0.678 nan 8.360 nan 0.000 0.425 538 Y N -1.256 119.050 120.300 0.010 0.000 2.689 538 Y HA 0.629 5.197 4.550 0.029 0.000 0.333 538 Y C -0.695 175.383 175.900 0.295 0.000 1.208 538 Y CA -0.899 57.211 58.100 0.017 0.000 1.055 538 Y CB 0.899 39.210 38.460 -0.248 0.000 1.304 538 Y HN 0.673 nan 8.280 nan 0.000 0.455 539 A N 1.870 124.748 122.820 0.097 0.000 2.303 539 A HA -0.271 4.065 4.320 0.027 0.000 0.286 539 A C -0.354 177.359 177.584 0.215 0.000 1.429 539 A CA 1.077 53.173 52.037 0.099 0.000 0.738 539 A CB -2.472 16.481 19.000 -0.080 0.000 1.149 539 A HN 1.067 nan 8.150 nan 0.000 0.364 540 H N 0.719 119.944 119.070 0.258 0.000 3.253 540 H HA 0.246 4.818 4.556 0.027 0.000 0.250 540 H C 1.143 176.535 175.328 0.107 0.000 1.051 540 H CA 0.815 57.013 56.048 0.250 0.000 1.458 540 H CB 0.330 30.122 29.762 0.050 0.000 1.549 540 H HN 0.791 nan 8.280 nan 0.000 0.506 541 A N 6.566 129.309 122.820 -0.128 0.000 2.728 541 A HA 0.057 4.393 4.320 0.027 0.000 0.258 541 A C 0.889 178.349 177.584 -0.206 0.000 1.454 541 A CA -0.387 51.559 52.037 -0.151 0.000 1.146 541 A CB -0.624 18.280 19.000 -0.159 0.000 0.985 541 A HN 0.793 nan 8.150 nan 0.000 0.603 542 M N 1.397 120.850 119.600 -0.246 0.000 2.143 542 M HA 0.447 4.944 4.480 0.027 0.000 0.348 542 M C 0.945 177.120 176.300 -0.208 0.000 1.375 542 M CA 1.288 56.459 55.300 -0.214 0.000 1.124 542 M CB -0.171 32.362 32.600 -0.112 0.000 1.669 542 M HN 0.829 nan 8.290 nan 0.000 0.469 543 G N 4.214 112.855 108.800 -0.264 0.000 2.528 543 G HA2 -0.325 3.651 3.960 0.027 0.000 0.262 543 G HA3 -0.325 3.651 3.960 0.027 0.000 0.262 543 G C -0.274 174.168 174.900 -0.763 0.000 1.200 543 G CA -0.034 44.734 45.100 -0.553 0.000 0.951 543 G HN 0.840 nan 8.290 nan 0.000 0.566 544 N N 1.293 119.369 118.700 -1.040 0.000 2.466 544 N HA 0.490 5.246 4.740 0.027 0.000 0.263 544 N C 0.068 175.337 175.510 -0.402 0.000 1.178 544 N CA 1.113 53.709 53.050 -0.757 0.000 0.983 544 N CB 0.370 38.396 38.487 -0.768 0.000 1.331 544 N HN 0.838 nan 8.380 nan 0.000 0.500 545 S N 1.950 117.500 115.700 -0.250 0.000 2.998 545 S HA 0.582 5.068 4.470 0.027 0.000 0.321 545 S C -0.101 174.444 174.600 -0.091 0.000 1.171 545 S CA -0.346 57.761 58.200 -0.154 0.000 0.882 545 S CB 0.069 63.197 63.200 -0.121 0.000 1.301 545 S HN 0.338 nan 8.310 nan 0.000 0.629 546 L N 0.110 121.313 121.223 -0.034 0.000 4.613 546 L HA -0.058 4.298 4.340 0.027 0.000 0.409 546 L C 0.477 177.395 176.870 0.079 0.000 1.100 546 L CA 0.930 55.773 54.840 0.006 0.000 1.029 546 L CB -1.728 40.246 42.059 -0.142 0.000 2.137 546 L HN 0.718 nan 8.230 nan 0.000 0.713 547 G N -0.865 107.953 108.800 0.031 0.000 2.378 547 G HA2 0.491 4.467 3.960 0.027 0.000 0.255 547 G HA3 0.491 4.467 3.960 0.027 0.000 0.255 547 G C 1.202 176.155 174.900 0.089 0.000 1.270 547 G CA 0.153 45.249 45.100 -0.007 0.000 0.876 547 G HN 1.365 nan 8.290 nan 0.000 0.521 548 G N 1.610 110.459 108.800 0.082 0.000 2.157 548 G HA2 -0.317 3.660 3.960 0.027 0.000 0.248 548 G HA3 -0.317 3.660 3.960 0.027 0.000 0.248 548 G C 0.966 176.065 174.900 0.333 0.000 0.979 548 G CA 0.718 45.928 45.100 0.182 0.000 0.650 548 G HN 0.745 nan 8.290 nan 0.000 0.529 549 F N 1.777 121.859 119.950 0.221 0.000 2.095 549 F HA 0.107 4.650 4.527 0.028 0.000 0.298 549 F C 2.725 178.752 175.800 0.379 0.000 1.104 549 F CA 2.549 60.754 58.000 0.341 0.000 1.232 549 F CB -0.564 38.574 39.000 0.230 0.000 0.987 549 F HN 0.357 nan 8.300 nan 0.000 0.475 550 A N -0.257 122.755 122.820 0.319 0.000 1.986 550 A HA -0.291 4.045 4.320 0.027 0.000 0.220 550 A C 2.307 179.926 177.584 0.058 0.000 1.171 550 A CA 1.976 54.124 52.037 0.185 0.000 0.640 550 A CB -0.899 18.212 19.000 0.184 0.000 0.811 550 A HN 0.480 nan 8.150 nan 0.000 0.451 551 K N -1.703 118.715 120.400 0.030 0.000 2.097 551 K HA -0.177 4.159 4.320 0.027 0.000 0.206 551 K C 1.727 178.109 176.600 -0.363 0.000 1.049 551 K CA 1.605 57.819 56.287 -0.121 0.000 0.933 551 K CB -0.313 32.126 32.500 -0.102 0.000 0.717 551 K HN 0.594 nan 8.250 nan 0.000 0.442 552 Y N -0.794 119.235 120.300 -0.452 0.000 2.145 552 Y HA -0.246 4.319 4.550 0.026 0.000 0.286 552 Y C 2.020 176.932 175.900 -1.645 0.000 1.145 552 Y CA 1.577 59.040 58.100 -1.061 0.000 1.148 552 Y CB -0.301 37.550 38.460 -1.016 0.000 0.981 552 Y HN 0.172 nan 8.280 nan 0.000 0.507 553 W N 0.071 120.938 121.300 -0.721 0.000 2.358 553 W HA -0.227 4.451 4.660 0.030 0.000 0.303 553 W C 2.657 179.007 176.519 -0.282 0.000 1.208 553 W CA 1.629 58.696 57.345 -0.463 0.000 1.274 553 W CB -0.620 28.653 29.460 -0.312 0.000 1.138 553 W HN 0.059 nan 8.180 nan 0.000 0.515 554 Q N 0.758 120.475 119.800 -0.138 0.000 2.084 554 Q HA -0.177 4.179 4.340 0.027 0.000 0.202 554 Q C 2.184 178.122 176.000 -0.103 0.000 0.978 554 Q CA 2.112 57.872 55.803 -0.071 0.000 0.844 554 Q CB -0.621 28.092 28.738 -0.042 0.000 0.898 554 Q HN 0.274 nan 8.270 nan 0.000 0.426 555 A N -0.083 122.584 122.820 -0.254 0.000 1.898 555 A HA -0.088 4.248 4.320 0.027 0.000 0.216 555 A C 2.046 179.603 177.584 -0.046 0.000 1.181 555 A CA 0.951 52.879 52.037 -0.182 0.000 0.620 555 A CB -1.010 17.764 19.000 -0.377 0.000 0.819 555 A HN 0.470 nan 8.150 nan 0.000 0.442 556 F N -0.243 119.526 119.950 -0.301 0.000 2.161 556 F HA -0.220 4.323 4.527 0.027 0.000 0.300 556 F C 2.732 178.429 175.800 -0.172 0.000 1.089 556 F CA 1.125 58.916 58.000 -0.349 0.000 1.282 556 F CB -0.160 38.394 39.000 -0.742 0.000 1.010 556 F HN 0.164 nan 8.300 nan 0.000 0.485 557 R N -0.012 120.535 120.500 0.078 0.000 2.148 557 R HA -0.147 4.209 4.340 0.027 0.000 0.223 557 R C 2.070 178.400 176.300 0.050 0.000 1.088 557 R CA 1.010 57.144 56.100 0.056 0.000 0.985 557 R CB -0.359 29.971 30.300 0.050 0.000 0.880 557 R HN 0.390 nan 8.270 nan 0.000 0.451 558 Q N -0.255 119.602 119.800 0.096 0.000 2.212 558 Q HA -0.040 4.316 4.340 0.027 0.000 0.199 558 Q C -0.446 175.569 176.000 0.026 0.000 0.950 558 Q CA 0.825 56.671 55.803 0.071 0.000 0.863 558 Q CB 0.412 29.223 28.738 0.121 0.000 0.944 558 Q HN 0.194 nan 8.270 nan 0.000 0.465 559 Y N 0.323 120.603 120.300 -0.034 0.000 2.385 559 Y HA 0.267 4.832 4.550 0.024 0.000 0.341 559 Y C -1.782 174.091 175.900 -0.045 0.000 0.965 559 Y CA -2.743 55.337 58.100 -0.033 0.000 1.180 559 Y CB 1.492 39.938 38.460 -0.024 0.000 1.139 559 Y HN 0.127 nan 8.280 nan 0.000 0.502 560 P HA -0.188 nan 4.420 nan 0.000 0.215 560 P C 1.113 178.413 177.300 0.001 0.000 1.157 560 P CA 1.900 64.998 63.100 -0.003 0.000 0.874 560 P CB 0.296 31.980 31.700 -0.028 0.000 0.790 561 R N -1.213 119.307 120.500 0.033 0.000 2.339 561 R HA 0.082 4.439 4.340 0.027 0.000 0.199 561 R C 0.433 176.716 176.300 -0.028 0.000 1.018 561 R CA 0.137 56.239 56.100 0.003 0.000 1.036 561 R CB -0.543 29.769 30.300 0.020 0.000 0.899 561 R HN 0.243 nan 8.270 nan 0.000 0.473 562 L N 1.710 122.935 121.223 0.003 0.000 2.282 562 L HA 0.140 4.496 4.340 0.027 0.000 0.287 562 L C 0.586 177.314 176.870 -0.236 0.000 1.075 562 L CA 0.097 54.888 54.840 -0.081 0.000 0.839 562 L CB 1.185 43.269 42.059 0.041 0.000 1.219 562 L HN 0.065 nan 8.230 nan 0.000 0.434 563 Q N 2.694 122.279 119.800 -0.358 0.000 2.201 563 Q HA 0.299 4.655 4.340 0.027 0.000 0.217 563 Q C 0.836 176.415 176.000 -0.701 0.000 0.860 563 Q CA 0.124 55.678 55.803 -0.414 0.000 0.984 563 Q CB 0.918 29.502 28.738 -0.257 0.000 1.095 563 Q HN 0.951 nan 8.270 nan 0.000 0.477 564 G N -0.484 107.512 108.800 -1.340 0.000 2.416 564 G HA2 0.114 4.091 3.960 0.027 0.000 0.203 564 G HA3 0.114 4.091 3.960 0.027 0.000 0.203 564 G C -0.290 173.739 174.900 -1.451 0.000 1.227 564 G CA -0.748 43.195 45.100 -1.927 0.000 1.041 564 G HN 0.566 nan 8.290 nan 0.000 0.546 565 G N -2.241 106.008 108.800 -0.917 0.000 2.320 565 G HA2 0.628 4.604 3.960 0.027 0.000 0.296 565 G HA3 0.628 4.604 3.960 0.027 0.000 0.296 565 G C -1.849 172.923 174.900 -0.214 0.000 1.306 565 G CA -0.263 44.523 45.100 -0.524 0.000 0.836 565 G HN 1.159 nan 8.290 nan 0.000 0.517 566 F N 0.750 120.939 119.950 0.398 0.000 2.403 566 F HA 0.517 5.059 4.527 0.025 0.000 0.355 566 F C 0.813 176.883 175.800 0.450 0.000 1.119 566 F CA -0.734 57.509 58.000 0.406 0.000 1.007 566 F CB 1.998 41.132 39.000 0.222 0.000 1.194 566 F HN 0.253 nan 8.300 nan 0.000 0.443 567 V N 3.389 123.581 119.914 0.464 0.000 2.872 567 V HA -0.159 3.978 4.120 0.027 0.000 0.307 567 V C -0.205 176.009 176.094 0.200 0.000 1.072 567 V CA -0.165 62.206 62.300 0.118 0.000 1.148 567 V CB 0.720 32.627 31.823 0.139 0.000 0.954 567 V HN 0.753 nan 8.190 nan 0.000 0.490 568 W N 6.587 127.961 121.300 0.123 0.000 2.278 568 W HA 0.459 5.135 4.660 0.026 0.000 0.317 568 W C -0.773 175.745 176.519 -0.002 0.000 1.030 568 W CA -0.618 56.830 57.345 0.172 0.000 1.334 568 W CB 1.184 30.918 29.460 0.457 0.000 1.215 568 W HN 0.922 nan 8.180 nan 0.000 0.405 569 D N 2.719 122.807 120.400 -0.519 0.000 2.825 569 D HA 0.066 4.722 4.640 0.027 0.000 0.327 569 D C 0.568 176.642 176.300 -0.376 0.000 1.277 569 D CA -0.577 52.974 54.000 -0.747 0.000 0.950 569 D CB 0.185 39.920 40.800 -1.775 0.000 1.438 569 D HN 0.406 nan 8.370 nan 0.000 0.526 570 W N 0.476 121.455 121.300 -0.536 0.000 2.381 570 W HA 0.114 4.790 4.660 0.027 0.000 0.321 570 W C -0.033 176.257 176.519 -0.382 0.000 1.196 570 W CA 1.195 58.281 57.345 -0.432 0.000 1.304 570 W CB 0.298 29.526 29.460 -0.386 0.000 1.166 570 W HN 0.170 nan 8.180 nan 0.000 0.473 571 V N 2.447 122.139 119.914 -0.370 0.000 2.735 571 V HA 0.236 4.373 4.120 0.027 0.000 0.310 571 V C -0.844 175.046 176.094 -0.340 0.000 1.061 571 V CA -0.821 61.194 62.300 -0.475 0.000 0.913 571 V CB 1.557 33.177 31.823 -0.337 0.000 1.005 571 V HN -0.096 nan 8.190 nan 0.000 0.428 572 D N 3.922 124.122 120.400 -0.334 0.000 2.488 572 D HA 0.109 4.765 4.640 0.027 0.000 0.238 572 D C 0.282 176.410 176.300 -0.287 0.000 1.138 572 D CA 0.601 54.460 54.000 -0.234 0.000 0.873 572 D CB 0.919 41.669 40.800 -0.084 0.000 1.183 572 D HN 0.606 nan 8.370 nan 0.000 0.458 573 Q N 1.012 120.568 119.800 -0.406 0.000 2.894 573 Q HA 0.119 4.475 4.340 0.027 0.000 0.358 573 Q C -0.008 175.916 176.000 -0.127 0.000 1.155 573 Q CA -0.328 55.006 55.803 -0.782 0.000 0.960 573 Q CB 0.044 28.440 28.738 -0.571 0.000 1.428 573 Q HN 0.354 nan 8.270 nan 0.000 0.437 574 S N -0.204 115.530 115.700 0.057 0.000 2.616 574 S HA 0.624 5.111 4.470 0.027 0.000 0.277 574 S C -0.136 174.648 174.600 0.308 0.000 1.234 574 S CA -0.742 57.627 58.200 0.281 0.000 1.028 574 S CB 1.316 64.663 63.200 0.246 0.000 0.988 574 S HN 0.322 nan 8.310 nan 0.000 0.522 575 L N 1.818 123.145 121.223 0.173 0.000 2.354 575 L HA 0.527 4.883 4.340 0.027 0.000 0.269 575 L C -0.433 176.348 176.870 -0.149 0.000 1.005 575 L CA -1.204 53.613 54.840 -0.039 0.000 0.819 575 L CB 1.515 43.432 42.059 -0.237 0.000 1.311 575 L HN 0.555 nan 8.230 nan 0.000 0.423 576 I N 2.403 122.831 120.570 -0.237 0.000 2.441 576 I HA 0.254 4.440 4.170 0.027 0.000 0.287 576 I C 0.131 175.860 176.117 -0.647 0.000 1.049 576 I CA 0.038 61.070 61.300 -0.446 0.000 1.381 576 I CB 0.934 38.685 38.000 -0.415 0.000 1.409 576 I HN 0.586 nan 8.210 nan 0.000 0.523 577 K N 5.445 125.191 120.400 -1.090 0.000 2.400 577 K HA 0.547 4.883 4.320 0.027 0.000 0.246 577 K C -1.550 174.283 176.600 -1.279 0.000 0.995 577 K CA -0.723 54.861 56.287 -1.171 0.000 0.840 577 K CB 2.342 33.899 32.500 -1.572 0.000 1.293 577 K HN 0.225 nan 8.250 nan 0.000 0.445 578 Y N 1.020 121.115 120.300 -0.342 0.000 2.352 578 Y HA 0.118 4.684 4.550 0.027 0.000 0.339 578 Y C 0.204 176.194 175.900 0.151 0.000 0.992 578 Y CA -1.179 56.877 58.100 -0.072 0.000 1.100 578 Y CB 1.048 39.479 38.460 -0.048 0.000 1.192 578 Y HN 0.655 nan 8.280 nan 0.000 0.458 579 D N 0.651 121.298 120.400 0.411 0.000 2.371 579 D HA -0.011 4.645 4.640 0.027 0.000 0.242 579 D C 0.756 177.170 176.300 0.190 0.000 1.218 579 D CA -0.219 53.971 54.000 0.316 0.000 0.945 579 D CB 0.700 41.629 40.800 0.214 0.000 1.137 579 D HN 0.707 nan 8.370 nan 0.000 0.464 580 E N -0.695 119.577 120.200 0.120 0.000 2.169 580 E HA -0.238 4.128 4.350 0.027 0.000 0.202 580 E C 0.746 177.386 176.600 0.066 0.000 1.016 580 E CA 1.458 57.902 56.400 0.074 0.000 0.817 580 E CB -0.050 29.675 29.700 0.041 0.000 0.736 580 E HN 0.407 nan 8.360 nan 0.000 0.462 581 N N -0.746 117.999 118.700 0.075 0.000 2.314 581 N HA 0.050 4.806 4.740 0.027 0.000 0.200 581 N C 0.722 176.279 175.510 0.078 0.000 1.135 581 N CA 0.875 53.963 53.050 0.062 0.000 0.835 581 N CB 1.044 39.565 38.487 0.058 0.000 0.989 581 N HN 0.249 nan 8.380 nan 0.000 0.478 582 G N 0.655 109.523 108.800 0.114 0.000 2.153 582 G HA2 -0.271 3.705 3.960 0.027 0.000 0.252 582 G HA3 -0.271 3.705 3.960 0.027 0.000 0.252 582 G C -0.178 174.866 174.900 0.240 0.000 0.994 582 G CA -0.260 44.919 45.100 0.132 0.000 0.698 582 G HN 0.335 nan 8.290 nan 0.000 0.521 583 N N 1.459 120.301 118.700 0.238 0.000 2.498 583 N HA 0.442 5.198 4.740 0.027 0.000 0.287 583 N C -2.480 173.181 175.510 0.252 0.000 1.097 583 N CA -1.119 52.071 53.050 0.233 0.000 0.973 583 N CB 1.799 40.382 38.487 0.160 0.000 1.153 583 N HN 0.161 nan 8.380 nan 0.000 0.472 584 P HA 0.236 nan 4.420 nan 0.000 0.277 584 P C -0.574 176.704 177.300 -0.036 0.000 1.240 584 P CA -0.268 62.722 63.100 -0.183 0.000 0.798 584 P CB 0.709 32.315 31.700 -0.158 0.000 0.979 585 W N -0.587 120.488 121.300 -0.374 0.000 3.167 585 W HA 0.418 5.094 4.660 0.027 0.000 0.324 585 W C -1.457 174.890 176.519 -0.286 0.000 1.230 585 W CA -1.082 56.050 57.345 -0.356 0.000 1.184 585 W CB 0.423 29.454 29.460 -0.715 0.000 1.414 585 W HN 0.116 nan 8.180 nan 0.000 0.551 586 S N 1.748 117.547 115.700 0.166 0.000 2.455 586 S HA 0.527 5.013 4.470 0.027 0.000 0.278 586 S C 0.224 175.012 174.600 0.314 0.000 1.216 586 S CA -0.157 58.136 58.200 0.154 0.000 1.055 586 S CB 0.681 64.013 63.200 0.221 0.000 0.939 586 S HN 0.598 nan 8.310 nan 0.000 0.494 587 A N 3.087 125.938 122.820 0.051 0.000 2.330 587 A HA 0.902 5.238 4.320 0.027 0.000 0.329 587 A C -0.679 177.158 177.584 0.421 0.000 1.135 587 A CA -0.759 51.352 52.037 0.124 0.000 0.817 587 A CB 0.738 19.490 19.000 -0.414 0.000 1.269 587 A HN 0.839 nan 8.150 nan 0.000 0.469 588 Y N -1.044 119.562 120.300 0.510 0.000 2.965 588 Y HA 0.761 5.328 4.550 0.027 0.000 0.310 588 Y C 0.646 176.895 175.900 0.582 0.000 1.480 588 Y CA -1.365 57.036 58.100 0.502 0.000 1.094 588 Y CB -0.071 38.515 38.460 0.211 0.000 1.377 588 Y HN 0.942 nan 8.280 nan 0.000 0.514 589 G N -0.041 109.154 108.800 0.658 0.000 2.224 589 G HA2 0.363 4.339 3.960 0.027 0.000 0.239 589 G HA3 0.363 4.339 3.960 0.027 0.000 0.239 589 G C 0.979 176.194 174.900 0.524 0.000 1.240 589 G CA 0.515 45.928 45.100 0.522 0.000 0.896 589 G HN 1.993 nan 8.290 nan 0.000 0.496 590 G N 2.279 111.350 108.800 0.452 0.000 2.284 590 G HA2 -0.291 3.685 3.960 0.027 0.000 0.247 590 G HA3 -0.291 3.685 3.960 0.027 0.000 0.247 590 G C 0.932 176.003 174.900 0.284 0.000 1.012 590 G CA 0.686 45.987 45.100 0.335 0.000 0.618 590 G HN 0.647 nan 8.290 nan 0.000 0.521 591 D N -0.141 120.427 120.400 0.279 0.000 2.371 591 D HA 0.119 4.775 4.640 0.027 0.000 0.221 591 D C 1.357 177.470 176.300 -0.312 0.000 0.986 591 D CA 0.518 54.519 54.000 0.001 0.000 0.899 591 D CB -0.201 40.567 40.800 -0.054 0.000 0.902 591 D HN 0.490 nan 8.370 nan 0.000 0.530 592 F N -0.740 119.333 119.950 0.204 0.000 2.639 592 F HA 0.302 4.845 4.527 0.027 0.000 0.302 592 F C 1.798 177.679 175.800 0.134 0.000 1.097 592 F CA -0.104 57.973 58.000 0.129 0.000 1.294 592 F CB 0.821 39.891 39.000 0.117 0.000 1.027 592 F HN -0.032 nan 8.300 nan 0.000 0.550 593 G N 0.370 109.308 108.800 0.230 0.000 2.175 593 G HA2 -0.252 3.724 3.960 0.027 0.000 0.244 593 G HA3 -0.252 3.724 3.960 0.027 0.000 0.244 593 G C -0.270 174.759 174.900 0.215 0.000 0.982 593 G CA 0.031 45.243 45.100 0.188 0.000 0.641 593 G HN 0.387 nan 8.290 nan 0.000 0.527 594 D N 0.550 121.124 120.400 0.290 0.000 2.383 594 D HA 0.521 5.177 4.640 0.027 0.000 0.252 594 D C 0.088 176.504 176.300 0.194 0.000 1.166 594 D CA 0.819 54.983 54.000 0.274 0.000 0.879 594 D CB 1.690 42.720 40.800 0.384 0.000 1.164 594 D HN 0.409 nan 8.370 nan 0.000 0.462 595 T N 1.127 115.768 114.554 0.144 0.000 3.047 595 T HA 0.434 4.801 4.350 0.027 0.000 0.340 595 T C -2.761 171.976 174.700 0.061 0.000 1.421 595 T CA -1.108 61.048 62.100 0.092 0.000 1.090 595 T CB 1.102 70.022 68.868 0.087 0.000 1.292 595 T HN 0.230 nan 8.240 nan 0.000 0.480 596 P HA 0.527 nan 4.420 nan 0.000 0.273 596 P C -0.936 176.358 177.300 -0.011 0.000 1.250 596 P CA -0.326 62.775 63.100 0.001 0.000 0.793 596 P CB 0.331 32.009 31.700 -0.036 0.000 1.011 597 N N -2.123 116.562 118.700 -0.025 0.000 2.825 597 N HA 0.278 5.034 4.740 0.027 0.000 0.253 597 N C -1.174 174.276 175.510 -0.101 0.000 1.426 597 N CA -0.763 52.251 53.050 -0.061 0.000 0.851 597 N CB 0.687 39.225 38.487 0.086 0.000 1.470 597 N HN 0.074 nan 8.380 nan 0.000 0.517 598 D N -0.260 120.027 120.400 -0.188 0.000 2.559 598 D HA 0.107 4.763 4.640 0.027 0.000 0.234 598 D C 0.597 177.025 176.300 0.213 0.000 1.226 598 D CA -0.112 53.839 54.000 -0.083 0.000 0.830 598 D CB 0.106 40.745 40.800 -0.270 0.000 1.028 598 D HN 0.719 nan 8.370 nan 0.000 0.492 599 R N 1.084 121.742 120.500 0.263 0.000 3.772 599 R HA -0.320 4.036 4.340 0.027 0.000 0.480 599 R C 1.022 177.348 176.300 0.043 0.000 0.241 599 R CA 1.549 57.811 56.100 0.270 0.000 1.508 599 R CB -1.630 28.756 30.300 0.144 0.000 0.956 599 R HN 0.167 nan 8.270 nan 0.000 0.583 600 Q N 1.339 120.861 119.800 -0.464 0.000 2.482 600 Q HA -0.047 4.309 4.340 0.027 0.000 0.209 600 Q C 1.665 177.493 176.000 -0.286 0.000 0.961 600 Q CA 1.419 56.796 55.803 -0.710 0.000 0.945 600 Q CB -0.088 28.012 28.738 -1.062 0.000 1.012 600 Q HN 0.578 nan 8.270 nan 0.000 0.515 601 F N 2.209 122.060 119.950 -0.166 0.000 2.494 601 F HA -0.121 4.421 4.527 0.026 0.000 0.298 601 F C 1.959 177.691 175.800 -0.113 0.000 1.106 601 F CA 0.881 58.861 58.000 -0.033 0.000 1.452 601 F CB -0.058 38.992 39.000 0.084 0.000 1.085 601 F HN 0.433 nan 8.300 nan 0.000 0.569 602 C N -0.721 118.212 119.300 -0.612 0.000 2.576 602 C HA 0.245 4.721 4.460 0.027 0.000 0.267 602 C C 0.966 175.660 174.990 -0.493 0.000 1.364 602 C CA -0.478 57.971 59.018 -0.947 0.000 1.723 602 C CB -1.885 24.650 27.740 -2.009 0.000 1.778 602 C HN 0.243 nan 8.230 nan 0.000 0.572 603 M N 2.515 121.898 119.600 -0.362 0.000 2.060 603 M HA 0.285 4.781 4.480 0.027 0.000 0.342 603 M C -0.453 175.700 176.300 -0.245 0.000 1.031 603 M CA 0.316 55.473 55.300 -0.238 0.000 0.981 603 M CB 0.124 32.651 32.600 -0.122 0.000 1.376 603 M HN 0.342 nan 8.290 nan 0.000 0.397 604 N N 0.896 119.443 118.700 -0.254 0.000 2.305 604 N HA 0.221 4.978 4.740 0.027 0.000 0.248 604 N C 0.291 175.623 175.510 -0.298 0.000 1.290 604 N CA -0.542 52.331 53.050 -0.296 0.000 0.873 604 N CB 1.274 39.621 38.487 -0.233 0.000 1.261 604 N HN 0.650 nan 8.380 nan 0.000 0.504 605 G N -0.154 108.455 108.800 -0.318 0.000 2.488 605 G HA2 0.387 4.363 3.960 0.027 0.000 0.318 605 G HA3 0.387 4.363 3.960 0.027 0.000 0.318 605 G C 0.665 175.220 174.900 -0.576 0.000 1.188 605 G CA -0.575 44.252 45.100 -0.454 0.000 0.944 605 G HN 0.084 nan 8.290 nan 0.000 0.495 606 L N -0.448 120.411 121.223 -0.607 0.000 2.313 606 L HA 0.115 4.471 4.340 0.027 0.000 0.214 606 L C 0.851 177.131 176.870 -0.982 0.000 1.119 606 L CA 0.434 54.917 54.840 -0.596 0.000 0.809 606 L CB -0.259 41.550 42.059 -0.417 0.000 0.933 606 L HN 0.372 nan 8.230 nan 0.000 0.449 607 V N -5.107 114.085 119.914 -1.204 0.000 2.914 607 V HA 0.461 4.597 4.120 0.027 0.000 0.314 607 V C -0.249 175.282 176.094 -0.937 0.000 1.084 607 V CA -1.282 60.375 62.300 -1.072 0.000 0.963 607 V CB 1.592 32.852 31.823 -0.939 0.000 1.025 607 V HN -0.143 nan 8.190 nan 0.000 0.432 608 F N 1.606 121.266 119.950 -0.483 0.000 2.485 608 F HA 0.531 5.074 4.527 0.028 0.000 0.327 608 F C 1.954 177.629 175.800 -0.208 0.000 1.203 608 F CA 0.627 58.514 58.000 -0.188 0.000 1.295 608 F CB 0.948 39.919 39.000 -0.049 0.000 1.191 608 F HN 0.785 nan 8.300 nan 0.000 0.588 609 A N 0.778 123.665 122.820 0.111 0.000 2.032 609 A HA -0.230 4.107 4.320 0.027 0.000 0.221 609 A C 1.594 179.146 177.584 -0.054 0.000 1.165 609 A CA 1.899 53.956 52.037 0.034 0.000 0.645 609 A CB -0.960 18.105 19.000 0.109 0.000 0.807 609 A HN 0.795 nan 8.150 nan 0.000 0.453 610 D N -3.058 117.326 120.400 -0.028 0.000 2.328 610 D HA 0.154 4.811 4.640 0.027 0.000 0.226 610 D C 0.721 176.992 176.300 -0.048 0.000 1.066 610 D CA 0.008 53.965 54.000 -0.072 0.000 0.861 610 D CB -0.075 40.686 40.800 -0.065 0.000 0.912 610 D HN 0.232 nan 8.370 nan 0.000 0.521 611 R N -1.919 118.544 120.500 -0.061 0.000 3.728 611 R HA -0.122 4.234 4.340 0.027 0.000 0.478 611 R C -0.226 176.044 176.300 -0.050 0.000 0.932 611 R CA 1.147 57.195 56.100 -0.085 0.000 1.317 611 R CB -3.110 27.177 30.300 -0.021 0.000 1.987 611 R HN 0.247 nan 8.270 nan 0.000 0.509 612 T N 2.501 117.071 114.554 0.025 0.000 2.930 612 T HA 0.329 4.696 4.350 0.027 0.000 0.306 612 T C -2.323 172.436 174.700 0.099 0.000 1.045 612 T CA -0.616 61.531 62.100 0.078 0.000 1.134 612 T CB 0.939 69.874 68.868 0.112 0.000 0.961 612 T HN -0.084 nan 8.240 nan 0.000 0.545 613 P HA 0.263 nan 4.420 nan 0.000 0.278 613 P C -0.251 177.064 177.300 0.025 0.000 1.238 613 P CA -0.382 62.676 63.100 -0.070 0.000 0.794 613 P CB 0.497 32.176 31.700 -0.035 0.000 0.955 614 H N 2.410 121.316 119.070 -0.274 0.000 2.509 614 H HA 0.135 4.707 4.556 0.027 0.000 0.359 614 H C -1.255 173.974 175.328 -0.165 0.000 1.253 614 H CA -1.896 53.961 56.048 -0.319 0.000 1.373 614 H CB 0.242 29.766 29.762 -0.397 0.000 1.555 614 H HN 0.334 nan 8.280 nan 0.000 0.586 615 P HA -0.146 nan 4.420 nan 0.000 0.218 615 P C 1.067 178.366 177.300 -0.001 0.000 1.149 615 P CA 1.394 64.484 63.100 -0.017 0.000 0.817 615 P CB 0.020 31.706 31.700 -0.024 0.000 0.785 616 A N -0.455 122.369 122.820 0.006 0.000 2.019 616 A HA -0.175 4.161 4.320 0.027 0.000 0.219 616 A C 2.059 179.602 177.584 -0.069 0.000 1.164 616 A CA 1.161 53.171 52.037 -0.045 0.000 0.644 616 A CB -1.603 17.357 19.000 -0.068 0.000 0.805 616 A HN 0.158 nan 8.150 nan 0.000 0.449 617 L N -0.517 120.680 121.223 -0.044 0.000 2.079 617 L HA -0.139 4.217 4.340 0.027 0.000 0.210 617 L C 2.513 179.423 176.870 0.065 0.000 1.081 617 L CA 2.686 57.530 54.840 0.007 0.000 0.752 617 L CB -0.967 41.090 42.059 -0.004 0.000 0.896 617 L HN 0.384 nan 8.230 nan 0.000 0.433 618 T N -1.689 112.908 114.554 0.072 0.000 2.867 618 T HA -0.194 4.173 4.350 0.027 0.000 0.268 618 T C 1.799 176.606 174.700 0.178 0.000 1.057 618 T CA 1.400 63.596 62.100 0.160 0.000 1.136 618 T CB -0.109 68.832 68.868 0.121 0.000 0.874 618 T HN 0.468 nan 8.240 nan 0.000 0.466 619 E N 0.812 121.057 120.200 0.075 0.000 2.077 619 E HA 0.054 4.420 4.350 0.027 0.000 0.193 619 E C 2.168 178.778 176.600 0.016 0.000 0.989 619 E CA 1.377 57.827 56.400 0.082 0.000 0.800 619 E CB -0.605 29.108 29.700 0.023 0.000 0.746 619 E HN 0.531 nan 8.360 nan 0.000 0.452 620 A N 0.906 123.618 122.820 -0.180 0.000 1.902 620 A HA -0.208 4.128 4.320 0.027 0.000 0.217 620 A C 2.167 179.628 177.584 -0.205 0.000 1.181 620 A CA 1.874 53.740 52.037 -0.286 0.000 0.623 620 A CB -0.600 18.215 19.000 -0.308 0.000 0.818 620 A HN 0.257 nan 8.150 nan 0.000 0.443 621 K N -1.220 119.141 120.400 -0.065 0.000 2.063 621 K HA -0.275 4.061 4.320 0.027 0.000 0.208 621 K C 2.049 178.543 176.600 -0.177 0.000 1.048 621 K CA 1.944 58.197 56.287 -0.057 0.000 0.928 621 K CB -0.337 32.285 32.500 0.204 0.000 0.713 621 K HN 0.640 nan 8.250 nan 0.000 0.442 622 H N 0.377 119.278 119.070 -0.283 0.000 2.357 622 H HA -0.017 4.556 4.556 0.028 0.000 0.301 622 H C 1.891 176.948 175.328 -0.450 0.000 1.082 622 H CA 1.732 57.421 56.048 -0.598 0.000 1.342 622 H CB 0.151 29.614 29.762 -0.498 0.000 1.389 622 H HN 0.240 nan 8.280 nan 0.000 0.511 623 Q N 0.153 119.711 119.800 -0.403 0.000 2.230 623 Q HA -0.076 4.280 4.340 0.027 0.000 0.202 623 Q C 1.488 176.953 176.000 -0.892 0.000 0.963 623 Q CA 1.058 56.547 55.803 -0.523 0.000 0.866 623 Q CB 0.105 28.702 28.738 -0.235 0.000 0.931 623 Q HN 0.708 nan 8.270 nan 0.000 0.452 624 Q N 0.227 119.458 119.800 -0.948 0.000 2.280 624 Q HA 0.072 4.428 4.340 0.027 0.000 0.202 624 Q C -0.117 175.307 176.000 -0.960 0.000 0.903 624 Q CA -0.203 54.887 55.803 -1.188 0.000 0.948 624 Q CB 0.329 28.398 28.738 -1.115 0.000 1.058 624 Q HN 0.365 nan 8.270 nan 0.000 0.493 625 Q N -0.407 118.978 119.800 -0.691 0.000 2.386 625 Q HA -0.048 4.308 4.340 0.027 0.000 0.282 625 Q C -0.140 175.473 176.000 -0.644 0.000 1.050 625 Q CA 0.402 55.922 55.803 -0.471 0.000 0.918 625 Q CB 0.446 29.008 28.738 -0.293 0.000 1.266 625 Q HN 0.303 nan 8.270 nan 0.000 0.423 626 F N 0.428 120.134 119.950 -0.407 0.000 2.765 626 F HA 0.217 4.760 4.527 0.026 0.000 0.302 626 F C -0.106 175.127 175.800 -0.945 0.000 1.111 626 F CA 0.022 57.542 58.000 -0.799 0.000 1.359 626 F CB 0.487 38.673 39.000 -1.356 0.000 1.097 626 F HN 0.306 nan 8.300 nan 0.000 0.577 627 F N 0.181 120.026 119.950 -0.175 0.000 2.540 627 F HA 0.489 5.033 4.527 0.028 0.000 0.317 627 F C -0.101 175.337 175.800 -0.603 0.000 1.104 627 F CA -1.106 56.692 58.000 -0.337 0.000 0.913 627 F CB 1.369 40.188 39.000 -0.303 0.000 1.170 627 F HN -0.352 nan 8.300 nan 0.000 0.450 628 Q N 2.979 122.521 119.800 -0.429 0.000 2.306 628 Q HA 0.582 4.938 4.340 0.027 0.000 0.265 628 Q C -1.365 174.356 176.000 -0.466 0.000 1.022 628 Q CA -0.601 54.991 55.803 -0.352 0.000 0.853 628 Q CB 2.726 31.379 28.738 -0.143 0.000 1.327 628 Q HN 0.554 nan 8.270 nan 0.000 0.449 629 F N 0.314 120.385 119.950 0.201 0.000 2.565 629 F HA 0.587 5.131 4.527 0.028 0.000 0.313 629 F C 0.254 176.286 175.800 0.387 0.000 1.091 629 F CA -0.811 57.380 58.000 0.320 0.000 0.915 629 F CB 2.155 41.461 39.000 0.511 0.000 1.208 629 F HN 0.157 nan 8.300 nan 0.000 0.453 630 R N 1.664 122.460 120.500 0.493 0.000 2.725 630 R HA 0.737 5.093 4.340 0.027 0.000 0.277 630 R C -1.999 174.363 176.300 0.103 0.000 0.987 630 R CA -1.219 55.092 56.100 0.350 0.000 0.901 630 R CB 2.920 33.333 30.300 0.187 0.000 1.207 630 R HN 0.543 nan 8.270 nan 0.000 0.463 631 L N 0.577 121.726 121.223 -0.123 0.000 2.365 631 L HA 0.601 4.957 4.340 0.027 0.000 0.273 631 L C -1.095 175.632 176.870 -0.238 0.000 1.000 631 L CA 0.033 54.593 54.840 -0.468 0.000 0.819 631 L CB 2.191 43.560 42.059 -1.150 0.000 1.284 631 L HN 0.558 nan 8.230 nan 0.000 0.418 632 S N 3.614 119.191 115.700 -0.205 0.000 2.776 632 S HA 0.689 5.175 4.470 0.027 0.000 0.284 632 S C 0.202 174.717 174.600 -0.143 0.000 1.160 632 S CA 0.247 58.369 58.200 -0.129 0.000 1.051 632 S CB 0.322 63.477 63.200 -0.075 0.000 1.037 632 S HN 1.617 nan 8.310 nan 0.000 0.485 633 G N 4.992 113.711 108.800 -0.135 0.000 2.565 633 G HA2 -0.352 3.624 3.960 0.027 0.000 0.295 633 G HA3 -0.352 3.624 3.960 0.027 0.000 0.295 633 G C 0.268 175.063 174.900 -0.175 0.000 1.165 633 G CA 0.985 46.007 45.100 -0.131 0.000 0.977 633 G HN 1.021 nan 8.290 nan 0.000 0.546 634 Q N 0.245 119.946 119.800 -0.166 0.000 2.247 634 Q HA 0.443 4.799 4.340 0.027 0.000 0.204 634 Q C 0.695 176.563 176.000 -0.221 0.000 0.872 634 Q CA 0.962 56.644 55.803 -0.202 0.000 0.951 634 Q CB 0.048 28.688 28.738 -0.163 0.000 1.099 634 Q HN 0.497 nan 8.270 nan 0.000 0.501 635 T N 1.410 115.848 114.554 -0.194 0.000 2.749 635 T HA 0.573 4.939 4.350 0.027 0.000 0.287 635 T C -0.286 174.298 174.700 -0.195 0.000 0.970 635 T CA -0.485 61.515 62.100 -0.166 0.000 0.980 635 T CB 0.720 69.524 68.868 -0.106 0.000 0.924 635 T HN 0.150 nan 8.240 nan 0.000 0.456 636 I N 2.963 123.430 120.570 -0.172 0.000 2.331 636 I HA 0.284 4.470 4.170 0.027 0.000 0.292 636 I C 0.621 176.747 176.117 0.016 0.000 0.998 636 I CA -0.464 60.761 61.300 -0.126 0.000 1.267 636 I CB 1.068 39.020 38.000 -0.079 0.000 1.386 636 I HN 0.550 nan 8.210 nan 0.000 0.476 637 E N 6.646 126.891 120.200 0.075 0.000 2.133 637 E HA 0.426 4.792 4.350 0.027 0.000 0.274 637 E C -1.523 175.188 176.600 0.185 0.000 0.930 637 E CA -0.609 55.853 56.400 0.103 0.000 0.770 637 E CB 1.590 31.331 29.700 0.069 0.000 1.104 637 E HN 0.345 nan 8.360 nan 0.000 0.403 638 V N 4.176 124.181 119.914 0.153 0.000 2.398 638 V HA 0.326 4.462 4.120 0.027 0.000 0.286 638 V C 0.005 176.134 176.094 0.058 0.000 1.026 638 V CA -0.493 61.868 62.300 0.101 0.000 0.868 638 V CB 1.705 33.614 31.823 0.144 0.000 0.982 638 V HN 0.711 nan 8.190 nan 0.000 0.443 639 T N 3.215 117.767 114.554 -0.004 0.000 2.829 639 T HA 0.381 4.747 4.350 0.027 0.000 0.280 639 T C -0.126 174.603 174.700 0.048 0.000 0.999 639 T CA -0.309 61.803 62.100 0.020 0.000 0.983 639 T CB 1.667 70.520 68.868 -0.023 0.000 0.968 639 T HN 0.682 nan 8.240 nan 0.000 0.446 640 S N 1.346 117.080 115.700 0.057 0.000 2.525 640 S HA 0.245 4.731 4.470 0.027 0.000 0.278 640 S C 0.758 175.246 174.600 -0.186 0.000 1.234 640 S CA -0.555 57.610 58.200 -0.059 0.000 1.058 640 S CB 0.694 63.918 63.200 0.041 0.000 0.983 640 S HN 0.726 nan 8.310 nan 0.000 0.495 641 E N 2.670 122.655 120.200 -0.358 0.000 2.474 641 E HA 0.090 4.456 4.350 0.027 0.000 0.195 641 E C -0.664 175.760 176.600 -0.293 0.000 1.039 641 E CA -0.108 56.111 56.400 -0.302 0.000 0.881 641 E CB 0.267 29.768 29.700 -0.331 0.000 0.970 641 E HN 0.694 nan 8.360 nan 0.000 0.486 642 Y N 0.380 120.551 120.300 -0.215 0.000 2.457 642 Y HA -0.043 4.524 4.550 0.027 0.000 0.341 642 Y C 1.473 177.197 175.900 -0.294 0.000 1.240 642 Y CA 0.162 58.130 58.100 -0.221 0.000 1.437 642 Y CB 0.709 39.024 38.460 -0.242 0.000 1.328 642 Y HN -0.041 nan 8.280 nan 0.000 0.588 643 L N 0.865 121.909 121.223 -0.299 0.000 2.470 643 L HA 0.082 4.438 4.340 0.027 0.000 0.219 643 L C 0.689 177.144 176.870 -0.691 0.000 1.071 643 L CA 0.488 54.912 54.840 -0.693 0.000 0.850 643 L CB 0.058 41.305 42.059 -1.352 0.000 1.040 643 L HN 0.638 nan 8.230 nan 0.000 0.475 644 F N -0.292 119.661 119.950 0.005 0.000 2.699 644 F HA 0.220 4.762 4.527 0.025 0.000 0.295 644 F C 1.270 177.048 175.800 -0.037 0.000 1.052 644 F CA -0.769 57.210 58.000 -0.035 0.000 1.239 644 F CB 0.338 39.299 39.000 -0.065 0.000 1.018 644 F HN -0.133 nan 8.300 nan 0.000 0.627 645 R N 0.168 120.702 120.500 0.058 0.000 2.720 645 R HA 0.431 4.787 4.340 0.027 0.000 0.272 645 R C -0.697 175.599 176.300 -0.008 0.000 0.991 645 R CA -0.642 55.454 56.100 -0.007 0.000 1.010 645 R CB 0.861 31.047 30.300 -0.189 0.000 1.141 645 R HN 0.086 nan 8.270 nan 0.000 0.494 646 H N 0.272 119.332 119.070 -0.017 0.000 2.508 646 H HA 0.073 4.646 4.556 0.027 0.000 0.358 646 H C 0.166 175.519 175.328 0.041 0.000 1.212 646 H CA 0.009 56.080 56.048 0.039 0.000 1.356 646 H CB 1.777 31.568 29.762 0.049 0.000 1.525 646 H HN 0.767 nan 8.280 nan 0.000 0.578 647 S N 0.969 116.823 115.700 0.257 0.000 4.085 647 S HA -0.064 4.422 4.470 0.027 0.000 0.189 647 S C 0.341 175.054 174.600 0.188 0.000 1.392 647 S CA -0.586 57.780 58.200 0.278 0.000 0.972 647 S CB -0.846 62.567 63.200 0.356 0.000 1.482 647 S HN 0.570 nan 8.310 nan 0.000 0.446 648 D N 0.597 121.078 120.400 0.135 0.000 2.325 648 D HA 0.053 4.709 4.640 0.027 0.000 0.234 648 D C 0.300 176.645 176.300 0.076 0.000 1.122 648 D CA -0.224 53.832 54.000 0.094 0.000 0.850 648 D CB -0.358 40.480 40.800 0.063 0.000 0.921 648 D HN 0.487 nan 8.370 nan 0.000 0.513 649 N N 0.118 118.876 118.700 0.098 0.000 2.620 649 N HA 0.154 4.911 4.740 0.027 0.000 0.277 649 N C -1.600 173.984 175.510 0.123 0.000 1.726 649 N CA -0.181 52.923 53.050 0.089 0.000 0.840 649 N CB 0.304 38.834 38.487 0.071 0.000 1.379 649 N HN -0.038 nan 8.380 nan 0.000 0.506 650 E N -0.121 120.150 120.200 0.118 0.000 2.335 650 E HA 0.511 4.877 4.350 0.027 0.000 0.280 650 E C -1.538 175.119 176.600 0.095 0.000 0.918 650 E CA -0.668 55.799 56.400 0.112 0.000 0.765 650 E CB 1.687 31.446 29.700 0.098 0.000 1.218 650 E HN 0.182 nan 8.360 nan 0.000 0.425 651 L N 0.405 121.700 121.223 0.120 0.000 2.371 651 L HA 0.689 5.045 4.340 0.027 0.000 0.262 651 L C -1.177 175.830 176.870 0.228 0.000 1.006 651 L CA -1.044 53.898 54.840 0.171 0.000 0.818 651 L CB 0.462 42.652 42.059 0.219 0.000 1.354 651 L HN 0.528 nan 8.230 nan 0.000 0.415 652 L N 1.751 123.119 121.223 0.242 0.000 2.282 652 L HA 0.667 5.024 4.340 0.027 0.000 0.288 652 L C -0.964 176.155 176.870 0.414 0.000 1.033 652 L CA 0.143 55.161 54.840 0.297 0.000 0.807 652 L CB 0.578 42.786 42.059 0.247 0.000 1.209 652 L HN 0.564 nan 8.230 nan 0.000 0.423 653 H N 4.764 123.911 119.070 0.128 0.000 2.459 653 H HA 0.513 5.085 4.556 0.027 0.000 0.332 653 H C -1.071 174.341 175.328 0.140 0.000 1.094 653 H CA -0.731 55.350 56.048 0.056 0.000 1.224 653 H CB 0.825 30.575 29.762 -0.020 0.000 1.449 653 H HN 0.612 nan 8.280 nan 0.000 0.484 654 W N 3.631 125.019 121.300 0.146 0.000 2.819 654 W HA 0.609 5.285 4.660 0.027 0.000 0.337 654 W C -1.498 175.074 176.519 0.088 0.000 1.077 654 W CA -1.454 55.956 57.345 0.109 0.000 1.226 654 W CB 1.294 30.800 29.460 0.078 0.000 1.419 654 W HN 0.613 nan 8.180 nan 0.000 0.502 655 M N 3.394 123.177 119.600 0.305 0.000 2.433 655 M HA 0.678 5.175 4.480 0.027 0.000 0.290 655 M C -2.580 173.918 176.300 0.330 0.000 1.173 655 M CA -0.620 54.764 55.300 0.140 0.000 0.905 655 M CB 2.087 34.697 32.600 0.017 0.000 1.692 655 M HN 0.139 nan 8.290 nan 0.000 0.462 656 V N 3.517 123.611 119.914 0.301 0.000 2.487 656 V HA 1.013 5.149 4.120 0.027 0.000 0.298 656 V C -0.448 175.757 176.094 0.185 0.000 1.028 656 V CA -0.137 62.336 62.300 0.289 0.000 0.860 656 V CB 1.243 33.258 31.823 0.320 0.000 0.991 656 V HN 1.144 nan 8.190 nan 0.000 0.427 657 A N 4.475 127.413 122.820 0.197 0.000 2.475 657 A HA 0.896 5.233 4.320 0.027 0.000 0.301 657 A C -1.515 176.188 177.584 0.198 0.000 1.059 657 A CA -0.628 51.493 52.037 0.141 0.000 0.710 657 A CB 1.766 20.804 19.000 0.063 0.000 1.288 657 A HN 0.834 nan 8.150 nan 0.000 0.408 658 L N 1.598 122.906 121.223 0.141 0.000 2.276 658 L HA 0.499 4.855 4.340 0.027 0.000 0.286 658 L C -0.597 176.362 176.870 0.148 0.000 1.024 658 L CA 0.195 55.129 54.840 0.156 0.000 0.826 658 L CB 0.313 42.432 42.059 0.101 0.000 1.211 658 L HN 0.749 nan 8.230 nan 0.000 0.422 659 D N 4.805 125.354 120.400 0.249 0.000 2.704 659 D HA -0.218 4.438 4.640 0.027 0.000 0.232 659 D C 1.204 177.535 176.300 0.053 0.000 1.183 659 D CA 1.432 55.570 54.000 0.231 0.000 0.647 659 D CB -1.076 39.835 40.800 0.185 0.000 1.013 659 D HN 1.168 nan 8.370 nan 0.000 0.415 660 G N -0.593 108.195 108.800 -0.019 0.000 2.205 660 G HA2 -0.386 3.591 3.960 0.027 0.000 0.261 660 G HA3 -0.386 3.591 3.960 0.027 0.000 0.261 660 G C 0.275 175.087 174.900 -0.147 0.000 0.980 660 G CA 0.596 45.575 45.100 -0.203 0.000 0.632 660 G HN 0.505 nan 8.290 nan 0.000 0.533 661 K N 2.019 122.387 120.400 -0.053 0.000 2.284 661 K HA 0.427 4.763 4.320 0.027 0.000 0.287 661 K C -2.546 174.044 176.600 -0.017 0.000 1.081 661 K CA -1.720 54.544 56.287 -0.038 0.000 0.910 661 K CB 1.484 33.982 32.500 -0.004 0.000 1.088 661 K HN 0.080 nan 8.250 nan 0.000 0.478 662 P HA -0.012 nan 4.420 nan 0.000 0.269 662 P C 0.221 177.520 177.300 -0.002 0.000 1.252 662 P CA 0.018 63.102 63.100 -0.027 0.000 0.780 662 P CB 0.714 32.378 31.700 -0.060 0.000 0.829 663 L N 2.419 123.661 121.223 0.032 0.000 2.121 663 L HA 0.280 4.636 4.340 0.027 0.000 0.200 663 L C 0.985 177.886 176.870 0.050 0.000 1.077 663 L CA 1.276 56.147 54.840 0.052 0.000 0.766 663 L CB -0.144 41.973 42.059 0.097 0.000 0.931 663 L HN 0.408 nan 8.230 nan 0.000 0.452 664 A N -1.347 121.511 122.820 0.062 0.000 2.586 664 A HA 0.575 4.912 4.320 0.027 0.000 0.290 664 A C -1.077 176.409 177.584 -0.163 0.000 1.086 664 A CA 0.192 52.243 52.037 0.023 0.000 0.665 664 A CB 1.570 20.698 19.000 0.212 0.000 1.279 664 A HN 0.194 nan 8.150 nan 0.000 0.423 665 S N -0.941 114.439 115.700 -0.534 0.000 2.567 665 S HA 0.903 5.389 4.470 0.027 0.000 0.270 665 S C -0.330 173.362 174.600 -1.513 0.000 1.152 665 S CA 0.078 57.553 58.200 -1.208 0.000 0.835 665 S CB 1.051 63.902 63.200 -0.581 0.000 1.115 665 S HN 2.560 nan 8.310 nan 0.000 0.459 666 G N 0.036 107.527 108.800 -2.181 0.000 2.687 666 G HA2 0.695 4.671 3.960 0.027 0.000 0.291 666 G HA3 0.695 4.671 3.960 0.027 0.000 0.291 666 G C -2.087 172.402 174.900 -0.684 0.000 1.420 666 G CA -0.777 43.708 45.100 -1.026 0.000 0.796 666 G HN 0.775 nan 8.290 nan 0.000 0.485 667 E N -1.305 118.768 120.200 -0.212 0.000 2.314 667 E HA 0.622 4.989 4.350 0.027 0.000 0.272 667 E C -1.341 175.296 176.600 0.061 0.000 0.884 667 E CA -0.698 55.594 56.400 -0.180 0.000 0.753 667 E CB 3.206 32.662 29.700 -0.406 0.000 1.213 667 E HN 0.308 nan 8.360 nan 0.000 0.432 668 V N 2.972 122.958 119.914 0.120 0.000 2.808 668 V HA 0.426 4.562 4.120 0.027 0.000 0.308 668 V C -2.452 173.708 176.094 0.109 0.000 1.099 668 V CA -1.931 60.444 62.300 0.125 0.000 0.920 668 V CB 2.095 34.018 31.823 0.166 0.000 1.014 668 V HN 0.582 nan 8.190 nan 0.000 0.425 669 P HA 0.314 nan 4.420 nan 0.000 0.275 669 P C -0.961 176.392 177.300 0.088 0.000 1.228 669 P CA -0.155 62.996 63.100 0.085 0.000 0.786 669 P CB 0.919 32.660 31.700 0.068 0.000 0.927 670 L N 2.888 124.161 121.223 0.083 0.000 2.282 670 L HA 0.356 4.712 4.340 0.027 0.000 0.288 670 L C 0.258 177.190 176.870 0.103 0.000 1.033 670 L CA -0.092 54.791 54.840 0.073 0.000 0.807 670 L CB 1.151 43.213 42.059 0.005 0.000 1.209 670 L HN 0.333 nan 8.230 nan 0.000 0.423 671 D N 3.723 124.197 120.400 0.123 0.000 2.363 671 D HA 0.337 4.993 4.640 0.027 0.000 0.258 671 D C -1.282 175.134 176.300 0.193 0.000 1.259 671 D CA -0.176 53.924 54.000 0.167 0.000 0.921 671 D CB 1.167 42.047 40.800 0.133 0.000 1.201 671 D HN 0.057 nan 8.370 nan 0.000 0.524 672 V N 1.592 121.633 119.914 0.212 0.000 2.487 672 V HA 0.848 4.984 4.120 0.027 0.000 0.298 672 V C 0.852 176.928 176.094 -0.031 0.000 1.028 672 V CA -1.187 61.199 62.300 0.143 0.000 0.860 672 V CB 1.166 33.115 31.823 0.210 0.000 0.991 672 V HN 0.570 nan 8.190 nan 0.000 0.427 673 A N 6.668 129.352 122.820 -0.227 0.000 2.313 673 A HA 0.741 5.077 4.320 0.027 0.000 0.261 673 A C -2.300 175.069 177.584 -0.359 0.000 1.090 673 A CA -1.535 49.997 52.037 -0.841 0.000 0.807 673 A CB -0.100 18.579 19.000 -0.536 0.000 1.055 673 A HN 0.685 nan 8.150 nan 0.000 0.492 674 P HA 0.033 nan 4.420 nan 0.000 0.264 674 P C -0.557 176.674 177.300 -0.115 0.000 1.193 674 P CA 0.591 63.609 63.100 -0.137 0.000 0.763 674 P CB 0.690 32.322 31.700 -0.114 0.000 0.810 675 Q N -0.980 118.766 119.800 -0.091 0.000 2.305 675 Q HA -0.162 4.194 4.340 0.027 0.000 0.203 675 Q C 0.789 176.758 176.000 -0.051 0.000 0.663 675 Q CA 1.793 57.548 55.803 -0.080 0.000 1.389 675 Q CB -2.588 26.100 28.738 -0.082 0.000 1.566 675 Q HN 0.757 nan 8.270 nan 0.000 0.755 676 G N 0.289 109.062 108.800 -0.045 0.000 2.543 676 G HA2 0.514 4.490 3.960 0.027 0.000 0.290 676 G HA3 0.514 4.490 3.960 0.027 0.000 0.290 676 G C -0.141 174.770 174.900 0.018 0.000 1.310 676 G CA -0.485 44.605 45.100 -0.016 0.000 1.025 676 G HN -0.002 nan 8.290 nan 0.000 0.502 677 K N -0.762 119.657 120.400 0.032 0.000 2.395 677 K HA 0.452 4.788 4.320 0.027 0.000 0.247 677 K C -1.025 175.612 176.600 0.061 0.000 0.973 677 K CA -0.631 55.685 56.287 0.047 0.000 0.828 677 K CB 2.596 35.116 32.500 0.034 0.000 1.272 677 K HN 0.527 nan 8.250 nan 0.000 0.439 678 Q N 2.364 122.207 119.800 0.073 0.000 2.305 678 Q HA 0.418 4.775 4.340 0.027 0.000 0.271 678 Q C -1.657 174.381 176.000 0.064 0.000 1.046 678 Q CA -0.652 55.195 55.803 0.073 0.000 0.798 678 Q CB 1.545 30.336 28.738 0.088 0.000 1.286 678 Q HN 0.519 nan 8.270 nan 0.000 0.435 679 L N 4.777 126.026 121.223 0.045 0.000 2.307 679 L HA 0.586 4.942 4.340 0.027 0.000 0.284 679 L C -0.590 176.290 176.870 0.017 0.000 1.023 679 L CA -0.728 54.127 54.840 0.026 0.000 0.810 679 L CB 1.498 43.562 42.059 0.008 0.000 1.231 679 L HN 0.603 nan 8.230 nan 0.000 0.423 680 I N 2.687 123.256 120.570 -0.001 0.000 2.436 680 I HA 0.258 4.444 4.170 0.027 0.000 0.289 680 I C -0.258 175.810 176.117 -0.081 0.000 1.010 680 I CA -0.350 60.938 61.300 -0.020 0.000 1.098 680 I CB 2.166 40.168 38.000 0.002 0.000 1.266 680 I HN 0.565 nan 8.210 nan 0.000 0.434 681 E N 6.446 126.596 120.200 -0.085 0.000 2.134 681 E HA 0.422 4.788 4.350 0.027 0.000 0.278 681 E C -0.815 175.665 176.600 -0.199 0.000 0.959 681 E CA -0.683 55.639 56.400 -0.130 0.000 0.783 681 E CB 1.688 31.333 29.700 -0.091 0.000 1.095 681 E HN 0.449 nan 8.360 nan 0.000 0.399 682 L N 5.117 126.154 121.223 -0.309 0.000 2.461 682 L HA 0.175 4.531 4.340 0.027 0.000 0.272 682 L C -1.803 174.888 176.870 -0.298 0.000 1.197 682 L CA -1.627 52.925 54.840 -0.480 0.000 0.836 682 L CB 0.023 41.698 42.059 -0.639 0.000 1.105 682 L HN 0.309 nan 8.230 nan 0.000 0.477 683 P HA 0.011 nan 4.420 nan 0.000 0.271 683 P C -1.013 176.234 177.300 -0.088 0.000 1.244 683 P CA -0.540 62.503 63.100 -0.096 0.000 0.793 683 P CB 0.269 31.985 31.700 0.026 0.000 0.984 684 E N 0.775 120.954 120.200 -0.036 0.000 2.465 684 E HA 0.088 4.454 4.350 0.027 0.000 0.260 684 E C -1.068 175.526 176.600 -0.008 0.000 0.980 684 E CA 0.095 56.478 56.400 -0.028 0.000 0.927 684 E CB -0.380 29.314 29.700 -0.010 0.000 0.934 684 E HN 0.226 nan 8.360 nan 0.000 0.459 685 L N 6.066 127.277 121.223 -0.021 0.000 2.335 685 L HA 0.381 4.737 4.340 0.027 0.000 0.268 685 L C -2.019 174.857 176.870 0.010 0.000 1.037 685 L CA -1.998 52.846 54.840 0.007 0.000 0.895 685 L CB 0.881 42.944 42.059 0.005 0.000 1.266 685 L HN 0.606 nan 8.230 nan 0.000 0.439 686 P HA 0.145 nan 4.420 nan 0.000 0.282 686 P C -0.775 176.540 177.300 0.024 0.000 1.262 686 P CA -0.597 62.514 63.100 0.020 0.000 0.773 686 P CB 0.683 32.398 31.700 0.025 0.000 0.879 687 Q N 3.461 123.271 119.800 0.017 0.000 3.405 687 Q HA -0.077 4.279 4.340 0.027 0.000 0.402 687 Q C -1.575 174.440 176.000 0.026 0.000 1.085 687 Q CA -0.487 55.327 55.803 0.019 0.000 1.182 687 Q CB -1.118 27.628 28.738 0.013 0.000 1.168 687 Q HN 0.438 nan 8.270 nan 0.000 0.513 688 P HA -0.022 nan 4.420 nan 0.000 0.271 688 P C -0.037 177.280 177.300 0.030 0.000 1.216 688 P CA -0.056 63.065 63.100 0.035 0.000 0.776 688 P CB 0.802 32.526 31.700 0.040 0.000 0.881 689 E N 0.181 120.399 120.200 0.029 0.000 2.160 689 E HA -0.100 4.266 4.350 0.027 0.000 0.195 689 E C 0.887 177.502 176.600 0.026 0.000 0.991 689 E CA 1.148 57.563 56.400 0.025 0.000 0.810 689 E CB 0.265 29.978 29.700 0.022 0.000 0.742 689 E HN 0.624 nan 8.360 nan 0.000 0.466 690 S N -1.387 114.332 115.700 0.032 0.000 2.851 690 S HA 0.658 5.144 4.470 0.027 0.000 0.313 690 S C -0.591 174.032 174.600 0.039 0.000 1.163 690 S CA -0.510 57.711 58.200 0.034 0.000 0.850 690 S CB 1.476 64.698 63.200 0.036 0.000 1.245 690 S HN 0.064 nan 8.310 nan 0.000 0.558 691 A N -0.261 122.584 122.820 0.041 0.000 2.366 691 A HA 0.804 5.140 4.320 0.027 0.000 0.249 691 A C 0.945 178.565 177.584 0.060 0.000 1.084 691 A CA 0.345 52.409 52.037 0.045 0.000 0.794 691 A CB -0.728 18.300 19.000 0.046 0.000 1.034 691 A HN 2.448 nan 8.150 nan 0.000 0.491 692 G N -0.751 108.085 108.800 0.061 0.000 2.346 692 G HA2 0.399 4.375 3.960 0.027 0.000 0.294 692 G HA3 0.399 4.375 3.960 0.027 0.000 0.294 692 G C -1.088 173.852 174.900 0.068 0.000 1.294 692 G CA -0.156 44.993 45.100 0.082 0.000 0.962 692 G HN 1.116 nan 8.290 nan 0.000 0.508 693 Q N -0.032 119.827 119.800 0.099 0.000 2.314 693 Q HA 0.721 5.077 4.340 0.027 0.000 0.259 693 Q C -0.212 175.870 176.000 0.137 0.000 0.951 693 Q CA -0.466 55.366 55.803 0.048 0.000 0.909 693 Q CB 1.101 29.853 28.738 0.024 0.000 1.236 693 Q HN 0.564 nan 8.270 nan 0.000 0.444 694 L N 4.144 125.387 121.223 0.034 0.000 2.326 694 L HA 0.470 4.826 4.340 0.027 0.000 0.278 694 L C -0.751 176.149 176.870 0.050 0.000 1.092 694 L CA -0.361 54.541 54.840 0.103 0.000 0.810 694 L CB 0.719 42.813 42.059 0.058 0.000 1.153 694 L HN 0.660 nan 8.230 nan 0.000 0.439 695 W N 3.981 125.339 121.300 0.097 0.000 2.785 695 W HA 0.507 5.183 4.660 0.027 0.000 0.333 695 W C -0.905 175.718 176.519 0.173 0.000 1.062 695 W CA -0.536 56.889 57.345 0.133 0.000 1.233 695 W CB 1.691 31.244 29.460 0.155 0.000 1.413 695 W HN 0.097 nan 8.180 nan 0.000 0.489 696 L N 3.368 124.866 121.223 0.459 0.000 2.296 696 L HA 0.782 5.139 4.340 0.027 0.000 0.286 696 L C -0.394 176.785 176.870 0.516 0.000 1.023 696 L CA 0.102 55.204 54.840 0.436 0.000 0.812 696 L CB 1.250 43.521 42.059 0.352 0.000 1.223 696 L HN 0.332 nan 8.230 nan 0.000 0.421 697 T N 5.159 119.961 114.554 0.412 0.000 2.848 697 T HA 0.667 5.033 4.350 0.027 0.000 0.285 697 T C -0.765 174.125 174.700 0.317 0.000 0.995 697 T CA -0.439 61.861 62.100 0.332 0.000 0.970 697 T CB 1.554 70.553 68.868 0.219 0.000 0.976 697 T HN 0.634 nan 8.240 nan 0.000 0.441 698 V N 1.596 121.670 119.914 0.266 0.000 2.769 698 V HA 0.879 5.015 4.120 0.027 0.000 0.312 698 V C -0.783 175.394 176.094 0.139 0.000 1.061 698 V CA -1.153 61.272 62.300 0.207 0.000 0.931 698 V CB 2.037 33.945 31.823 0.141 0.000 1.010 698 V HN 0.805 nan 8.190 nan 0.000 0.433 699 R N 2.241 122.842 120.500 0.168 0.000 2.621 699 R HA 0.761 5.117 4.340 0.027 0.000 0.284 699 R C -1.580 174.820 176.300 0.167 0.000 0.998 699 R CA -0.587 55.623 56.100 0.184 0.000 0.895 699 R CB 2.557 32.910 30.300 0.087 0.000 1.195 699 R HN 0.770 nan 8.270 nan 0.000 0.450 700 V N 4.532 124.579 119.914 0.223 0.000 2.406 700 V HA 0.335 4.471 4.120 0.027 0.000 0.272 700 V C -0.294 175.862 176.094 0.104 0.000 1.043 700 V CA -0.477 61.924 62.300 0.169 0.000 0.915 700 V CB 1.488 33.429 31.823 0.198 0.000 0.988 700 V HN 0.439 nan 8.190 nan 0.000 0.466 701 V N 5.447 125.371 119.914 0.016 0.000 2.555 701 V HA 0.383 4.520 4.120 0.027 0.000 0.302 701 V C -0.131 175.998 176.094 0.058 0.000 1.038 701 V CA -0.754 61.521 62.300 -0.042 0.000 0.887 701 V CB 2.018 33.664 31.823 -0.295 0.000 0.991 701 V HN 0.879 nan 8.190 nan 0.000 0.434 702 Q N 5.760 125.616 119.800 0.093 0.000 2.421 702 Q HA 0.252 4.608 4.340 0.027 0.000 0.242 702 Q C -1.741 174.292 176.000 0.054 0.000 1.024 702 Q CA -1.750 54.115 55.803 0.104 0.000 0.891 702 Q CB 1.555 30.373 28.738 0.133 0.000 1.222 702 Q HN 0.489 nan 8.270 nan 0.000 0.483 703 P HA -0.145 nan 4.420 nan 0.000 0.221 703 P C -0.536 176.774 177.300 0.018 0.000 1.150 703 P CA 1.024 64.150 63.100 0.044 0.000 0.800 703 P CB 0.401 32.138 31.700 0.061 0.000 0.787 704 N N -0.555 118.147 118.700 0.003 0.000 2.405 704 N HA 0.464 5.220 4.740 0.027 0.000 0.299 704 N C -0.389 175.079 175.510 -0.071 0.000 1.075 704 N CA -0.689 52.346 53.050 -0.024 0.000 0.884 704 N CB 1.116 39.593 38.487 -0.017 0.000 1.194 704 N HN -0.079 nan 8.380 nan 0.000 0.491 705 A N 0.690 123.461 122.820 -0.082 0.000 2.406 705 A HA 0.477 4.813 4.320 0.027 0.000 0.243 705 A C 0.612 178.084 177.584 -0.186 0.000 1.082 705 A CA 0.020 51.972 52.037 -0.141 0.000 0.786 705 A CB -0.020 18.922 19.000 -0.097 0.000 1.029 705 A HN 0.715 nan 8.150 nan 0.000 0.495 706 T N -2.994 111.368 114.554 -0.321 0.000 2.693 706 T HA 0.625 4.991 4.350 0.027 0.000 0.278 706 T C 0.914 175.473 174.700 -0.235 0.000 0.994 706 T CA 0.087 61.994 62.100 -0.321 0.000 1.033 706 T CB 1.053 69.498 68.868 -0.705 0.000 1.342 706 T HN 1.363 nan 8.240 nan 0.000 0.538 707 A N -0.221 122.556 122.820 -0.072 0.000 2.168 707 A HA 0.156 4.492 4.320 0.027 0.000 0.215 707 A C 1.571 179.305 177.584 0.249 0.000 1.152 707 A CA 0.845 52.943 52.037 0.100 0.000 0.716 707 A CB -0.867 18.230 19.000 0.161 0.000 0.794 707 A HN 0.891 nan 8.150 nan 0.000 0.465 708 W N -0.812 120.550 121.300 0.103 0.000 2.714 708 W HA 0.403 5.080 4.660 0.029 0.000 0.353 708 W C -0.163 176.324 176.519 -0.053 0.000 0.999 708 W CA 0.480 57.854 57.345 0.049 0.000 1.629 708 W CB -0.998 28.477 29.460 0.026 0.000 1.106 708 W HN 0.380 nan 8.180 nan 0.000 0.545 709 S N -0.037 115.214 115.700 -0.748 0.000 2.607 709 S HA 0.486 4.972 4.470 0.027 0.000 0.273 709 S C -0.907 173.461 174.600 -0.386 0.000 1.148 709 S CA -0.724 57.061 58.200 -0.691 0.000 0.833 709 S CB 2.874 65.247 63.200 -1.378 0.000 1.130 709 S HN 0.105 nan 8.310 nan 0.000 0.470 710 E N 0.408 120.488 120.200 -0.199 0.000 2.283 710 E HA 0.577 4.943 4.350 0.027 0.000 0.267 710 E C 0.169 176.730 176.600 -0.065 0.000 1.045 710 E CA -0.846 55.497 56.400 -0.096 0.000 0.884 710 E CB 1.463 31.150 29.700 -0.022 0.000 1.106 710 E HN 0.869 nan 8.360 nan 0.000 0.408 711 A N 0.607 123.400 122.820 -0.046 0.000 2.540 711 A HA 0.361 4.698 4.320 0.027 0.000 0.239 711 A C 1.126 178.715 177.584 0.007 0.000 1.061 711 A CA 0.917 52.941 52.037 -0.022 0.000 0.758 711 A CB -0.422 18.570 19.000 -0.014 0.000 0.991 711 A HN 0.811 nan 8.150 nan 0.000 0.502 712 G N 0.605 109.416 108.800 0.018 0.000 2.195 712 G HA2 -0.250 3.726 3.960 0.027 0.000 0.246 712 G HA3 -0.250 3.726 3.960 0.027 0.000 0.246 712 G C 0.298 175.215 174.900 0.028 0.000 0.984 712 G CA 0.674 45.780 45.100 0.010 0.000 0.633 712 G HN 1.767 nan 8.290 nan 0.000 0.525 713 H N 0.865 119.919 119.070 -0.026 0.000 3.064 713 H HA 0.385 4.957 4.556 0.027 0.000 0.329 713 H C 0.740 176.110 175.328 0.070 0.000 1.020 713 H CA 0.608 56.666 56.048 0.017 0.000 1.402 713 H CB 0.128 29.875 29.762 -0.025 0.000 1.379 713 H HN 0.335 nan 8.280 nan 0.000 0.594 714 I N 4.486 124.777 120.570 -0.464 0.000 2.331 714 I HA 0.044 4.230 4.170 0.027 0.000 0.292 714 I C 0.922 176.883 176.117 -0.261 0.000 0.998 714 I CA 0.100 61.261 61.300 -0.232 0.000 1.267 714 I CB 1.528 39.462 38.000 -0.111 0.000 1.386 714 I HN 0.783 nan 8.210 nan 0.000 0.476 715 S N 4.071 119.846 115.700 0.125 0.000 2.512 715 S HA 0.583 5.070 4.470 0.027 0.000 0.216 715 S C 0.406 175.266 174.600 0.434 0.000 1.006 715 S CA -0.057 58.366 58.200 0.372 0.000 0.915 715 S CB 0.582 64.122 63.200 0.567 0.000 0.824 715 S HN 0.711 nan 8.310 nan 0.000 0.497 716 A N 0.589 123.693 122.820 0.473 0.000 2.605 716 A HA 0.651 4.987 4.320 0.027 0.000 0.294 716 A C -1.769 176.156 177.584 0.569 0.000 1.062 716 A CA -0.881 51.410 52.037 0.425 0.000 0.682 716 A CB 0.427 19.749 19.000 0.536 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N 0.226 121.714 121.300 0.313 0.000 3.066 717 W HA 0.821 5.498 4.660 0.028 0.000 0.330 717 W C -1.208 175.368 176.519 0.095 0.000 1.253 717 W CA -0.627 56.789 57.345 0.119 0.000 1.187 717 W CB 1.211 30.707 29.460 0.060 0.000 1.434 717 W HN 1.018 nan 8.180 nan 0.000 0.572 718 Q N 1.073 120.913 119.800 0.066 0.000 2.594 718 Q HA 0.435 4.791 4.340 0.027 0.000 0.278 718 Q C -1.617 174.230 176.000 -0.255 0.000 0.961 718 Q CA -0.452 55.228 55.803 -0.205 0.000 0.844 718 Q CB 2.337 30.727 28.738 -0.580 0.000 1.475 718 Q HN 0.645 nan 8.270 nan 0.000 0.389 719 Q N 1.169 120.736 119.800 -0.389 0.000 2.456 719 Q HA 0.660 5.016 4.340 0.027 0.000 0.283 719 Q C -1.172 174.638 176.000 -0.316 0.000 1.084 719 Q CA -0.726 55.036 55.803 -0.069 0.000 0.801 719 Q CB 2.412 31.320 28.738 0.284 0.000 1.434 719 Q HN 0.612 nan 8.270 nan 0.000 0.419 720 W N 0.590 122.026 121.300 0.227 0.000 3.083 720 W HA 0.453 5.129 4.660 0.027 0.000 0.333 720 W C -0.442 175.975 176.519 -0.170 0.000 1.217 720 W CA -0.657 56.718 57.345 0.050 0.000 1.170 720 W CB 1.724 31.189 29.460 0.008 0.000 1.437 720 W HN 0.429 nan 8.180 nan 0.000 0.557 721 R N 1.402 121.756 120.500 -0.243 0.000 2.390 721 R HA 0.478 4.834 4.340 0.027 0.000 0.291 721 R C 0.527 176.683 176.300 -0.239 0.000 1.070 721 R CA -0.164 55.546 56.100 -0.650 0.000 1.014 721 R CB 1.126 31.003 30.300 -0.704 0.000 1.007 721 R HN 0.291 nan 8.270 nan 0.000 0.466 722 L N 1.200 122.297 121.223 -0.210 0.000 2.793 722 L HA 0.521 4.877 4.340 0.027 0.000 0.188 722 L C 0.561 177.357 176.870 -0.122 0.000 1.949 722 L CA -0.959 53.816 54.840 -0.109 0.000 2.556 722 L CB -0.084 41.949 42.059 -0.043 0.000 2.898 722 L HN 0.597 nan 8.230 nan 0.000 0.621 723 A N 0.265 123.039 122.820 -0.077 0.000 2.425 723 A HA 0.246 4.583 4.320 0.027 0.000 0.242 723 A C -0.354 177.191 177.584 -0.065 0.000 1.077 723 A CA 0.143 52.142 52.037 -0.064 0.000 0.781 723 A CB 0.267 19.245 19.000 -0.037 0.000 1.020 723 A HN 0.605 nan 8.150 nan 0.000 0.494 724 E N 0.833 121.000 120.200 -0.056 0.000 2.238 724 E HA 0.359 4.726 4.350 0.027 0.000 0.267 724 E C -1.423 175.169 176.600 -0.014 0.000 0.887 724 E CA -0.728 55.647 56.400 -0.041 0.000 0.769 724 E CB 0.958 30.623 29.700 -0.057 0.000 1.187 724 E HN 0.671 nan 8.360 nan 0.000 0.416 725 N N 4.763 123.466 118.700 0.005 0.000 2.569 725 N HA 0.263 5.019 4.740 0.027 0.000 0.254 725 N C -0.711 174.812 175.510 0.021 0.000 1.004 725 N CA -0.348 52.709 53.050 0.012 0.000 0.904 725 N CB 1.122 39.620 38.487 0.017 0.000 1.165 725 N HN 0.458 nan 8.380 nan 0.000 0.513 726 L N 0.627 121.861 121.223 0.019 0.000 2.456 726 L HA 0.107 4.463 4.340 0.027 0.000 0.272 726 L C 1.331 178.220 176.870 0.033 0.000 1.189 726 L CA 0.155 55.012 54.840 0.028 0.000 0.846 726 L CB 0.397 42.472 42.059 0.027 0.000 1.111 726 L HN 0.334 nan 8.230 nan 0.000 0.475 727 S N 1.542 117.266 115.700 0.041 0.000 2.481 727 S HA 0.268 4.754 4.470 0.027 0.000 0.276 727 S C 0.447 175.069 174.600 0.037 0.000 1.247 727 S CA -0.799 57.425 58.200 0.041 0.000 1.053 727 S CB 0.529 63.760 63.200 0.050 0.000 0.925 727 S HN 0.466 nan 8.310 nan 0.000 0.491 728 V N 2.483 122.415 119.914 0.030 0.000 3.070 728 V HA 0.394 4.530 4.120 0.027 0.000 0.345 728 V C 0.442 176.551 176.094 0.024 0.000 1.403 728 V CA -0.051 62.264 62.300 0.026 0.000 1.155 728 V CB -0.542 31.294 31.823 0.021 0.000 1.140 728 V HN 0.815 nan 8.190 nan 0.000 0.505 729 T N 0.698 115.269 114.554 0.027 0.000 2.859 729 T HA 0.761 5.127 4.350 0.027 0.000 0.281 729 T C -0.139 174.576 174.700 0.025 0.000 1.005 729 T CA -0.671 61.443 62.100 0.024 0.000 1.025 729 T CB 1.948 70.829 68.868 0.022 0.000 0.977 729 T HN 0.477 nan 8.240 nan 0.000 0.458 730 L N 1.110 122.345 121.223 0.020 0.000 2.439 730 L HA 0.674 5.030 4.340 0.027 0.000 0.259 730 L C -2.236 174.644 176.870 0.017 0.000 1.129 730 L CA -2.336 52.516 54.840 0.019 0.000 0.803 730 L CB -0.812 41.256 42.059 0.015 0.000 1.161 730 L HN 0.387 nan 8.230 nan 0.000 0.462 731 P HA 0.227 nan 4.420 nan 0.000 0.282 731 P C -0.551 176.748 177.300 -0.002 0.000 1.274 731 P CA -0.179 62.931 63.100 0.017 0.000 0.770 731 P CB 1.226 32.941 31.700 0.025 0.000 0.867 732 A N 3.910 126.723 122.820 -0.011 0.000 2.618 732 A HA 0.381 4.717 4.320 0.027 0.000 0.293 732 A C 0.936 178.474 177.584 -0.077 0.000 1.413 732 A CA -0.135 51.875 52.037 -0.046 0.000 1.074 732 A CB -1.042 17.925 19.000 -0.054 0.000 1.087 732 A HN 0.672 nan 8.150 nan 0.000 0.553 733 A N 3.914 126.695 122.820 -0.064 0.000 2.598 733 A HA 0.380 4.716 4.320 0.027 0.000 0.239 733 A C 1.185 178.704 177.584 -0.109 0.000 1.032 733 A CA 0.507 52.507 52.037 -0.063 0.000 0.760 733 A CB -0.629 18.354 19.000 -0.028 0.000 0.946 733 A HN 2.236 nan 8.150 nan 0.000 0.512 734 S N 2.368 118.037 115.700 -0.051 0.000 3.551 734 S HA -0.178 4.308 4.470 0.027 0.000 0.425 734 S C 0.548 175.137 174.600 -0.019 0.000 1.149 734 S CA 1.247 59.445 58.200 -0.004 0.000 0.912 734 S CB -0.301 62.922 63.200 0.039 0.000 0.641 734 S HN 0.797 nan 8.310 nan 0.000 0.481 735 H N 2.221 121.305 119.070 0.025 0.000 2.495 735 H HA 0.416 4.988 4.556 0.027 0.000 0.287 735 H C 1.136 176.477 175.328 0.022 0.000 1.033 735 H CA 1.332 57.392 56.048 0.021 0.000 1.307 735 H CB -0.204 29.570 29.762 0.020 0.000 1.401 735 H HN 0.920 nan 8.280 nan 0.000 0.555 736 A N 0.458 123.360 122.820 0.137 0.000 2.443 736 A HA 0.692 5.028 4.320 0.027 0.000 0.278 736 A C -1.000 176.625 177.584 0.067 0.000 1.252 736 A CA -0.735 51.356 52.037 0.089 0.000 0.816 736 A CB 1.159 20.213 19.000 0.090 0.000 1.369 736 A HN 0.252 nan 8.150 nan 0.000 0.446 737 I N -0.565 120.042 120.570 0.061 0.000 2.569 737 I HA 0.662 4.848 4.170 0.027 0.000 0.290 737 I C -2.963 173.194 176.117 0.067 0.000 1.088 737 I CA -2.333 58.997 61.300 0.050 0.000 1.047 737 I CB 2.523 40.545 38.000 0.037 0.000 1.237 737 I HN 0.339 nan 8.210 nan 0.000 0.421 738 P HA 0.198 nan 4.420 nan 0.000 0.274 738 P C -1.416 175.951 177.300 0.112 0.000 1.231 738 P CA 0.124 63.273 63.100 0.081 0.000 0.790 738 P CB 0.405 32.108 31.700 0.005 0.000 0.951 739 H N 1.936 121.031 119.070 0.042 0.000 2.469 739 H HA 0.436 5.008 4.556 0.027 0.000 0.342 739 H C -1.266 174.089 175.328 0.044 0.000 1.115 739 H CA -0.918 55.149 56.048 0.032 0.000 1.204 739 H CB 1.356 31.138 29.762 0.034 0.000 1.492 739 H HN 0.248 nan 8.280 nan 0.000 0.499 740 L N 4.321 125.185 121.223 -0.598 0.000 2.309 740 L HA 0.332 4.688 4.340 0.027 0.000 0.282 740 L C -0.699 175.855 176.870 -0.527 0.000 1.036 740 L CA -0.037 54.559 54.840 -0.407 0.000 0.806 740 L CB 1.630 43.531 42.059 -0.264 0.000 1.220 740 L HN 0.586 nan 8.230 nan 0.000 0.429 741 T N 3.150 117.618 114.554 -0.143 0.000 2.812 741 T HA 0.480 4.846 4.350 0.027 0.000 0.282 741 T C -0.424 174.338 174.700 0.104 0.000 0.990 741 T CA -0.410 61.688 62.100 -0.004 0.000 0.960 741 T CB 1.199 70.122 68.868 0.092 0.000 0.948 741 T HN 0.660 nan 8.240 nan 0.000 0.438 742 T N 3.219 117.841 114.554 0.114 0.000 2.824 742 T HA 0.718 5.084 4.350 0.027 0.000 0.280 742 T C -0.103 174.655 174.700 0.097 0.000 0.995 742 T CA -0.740 61.480 62.100 0.200 0.000 1.009 742 T CB 1.052 70.065 68.868 0.242 0.000 0.955 742 T HN 0.725 nan 8.240 nan 0.000 0.452 743 S N 1.569 117.292 115.700 0.039 0.000 2.579 743 S HA 0.445 4.931 4.470 0.027 0.000 0.272 743 S C 0.648 175.200 174.600 -0.080 0.000 1.141 743 S CA -1.021 57.174 58.200 -0.008 0.000 0.843 743 S CB 1.647 64.847 63.200 0.001 0.000 1.122 743 S HN 0.477 nan 8.310 nan 0.000 0.468 744 E N 0.963 121.126 120.200 -0.063 0.000 2.085 744 E HA -0.132 4.235 4.350 0.027 0.000 0.194 744 E C 1.664 178.183 176.600 -0.136 0.000 0.994 744 E CA 1.508 57.853 56.400 -0.091 0.000 0.801 744 E CB -0.403 29.265 29.700 -0.052 0.000 0.743 744 E HN 0.617 nan 8.360 nan 0.000 0.453 745 M N 0.456 119.999 119.600 -0.095 0.000 2.156 745 M HA 0.040 4.536 4.480 0.027 0.000 0.264 745 M C 0.579 176.810 176.300 -0.115 0.000 1.067 745 M CA 1.121 56.372 55.300 -0.082 0.000 1.131 745 M CB -0.478 32.106 32.600 -0.028 0.000 1.368 745 M HN -0.079 nan 8.290 nan 0.000 0.416 746 D N -1.758 118.570 120.400 -0.120 0.000 2.596 746 D HA 0.413 5.069 4.640 0.027 0.000 0.262 746 D C -1.385 174.861 176.300 -0.090 0.000 1.210 746 D CA -0.454 53.487 54.000 -0.099 0.000 0.873 746 D CB 2.154 42.989 40.800 0.057 0.000 1.408 746 D HN -0.004 nan 8.370 nan 0.000 0.441 747 F N 1.067 121.089 119.950 0.121 0.000 2.403 747 F HA 0.335 4.878 4.527 0.027 0.000 0.355 747 F C 0.026 175.943 175.800 0.195 0.000 1.119 747 F CA -0.766 57.299 58.000 0.108 0.000 1.007 747 F CB 1.208 40.244 39.000 0.059 0.000 1.194 747 F HN 0.051 nan 8.300 nan 0.000 0.443 748 C N 4.654 124.141 119.300 0.311 0.000 2.382 748 C HA 0.722 5.199 4.460 0.027 0.000 0.327 748 C C -0.209 174.915 174.990 0.222 0.000 1.250 748 C CA -0.769 58.404 59.018 0.259 0.000 1.707 748 C CB 0.739 28.572 27.740 0.155 0.000 2.272 748 C HN 0.516 nan 8.230 nan 0.000 0.506 749 I N 3.188 123.936 120.570 0.298 0.000 2.465 749 I HA 0.418 4.604 4.170 0.027 0.000 0.291 749 I C -0.199 176.157 176.117 0.398 0.000 1.014 749 I CA -0.117 61.345 61.300 0.270 0.000 1.093 749 I CB 1.490 39.607 38.000 0.195 0.000 1.267 749 I HN 0.647 nan 8.210 nan 0.000 0.431 750 E N 6.646 127.031 120.200 0.309 0.000 2.248 750 E HA 0.736 5.102 4.350 0.027 0.000 0.267 750 E C -1.421 175.353 176.600 0.291 0.000 0.877 750 E CA -1.031 55.549 56.400 0.300 0.000 0.759 750 E CB 3.032 32.825 29.700 0.155 0.000 1.182 750 E HN 0.361 nan 8.360 nan 0.000 0.418 751 L N 1.734 123.153 121.223 0.326 0.000 2.596 751 L HA 0.427 4.783 4.340 0.027 0.000 0.265 751 L C 0.438 177.414 176.870 0.177 0.000 0.962 751 L CA 0.525 55.523 54.840 0.263 0.000 0.891 751 L CB 1.426 43.671 42.059 0.311 0.000 1.248 751 L HN 0.914 nan 8.230 nan 0.000 0.410 752 G N 4.293 113.153 108.800 0.101 0.000 2.685 752 G HA2 -0.459 3.518 3.960 0.027 0.000 0.329 752 G HA3 -0.459 3.518 3.960 0.027 0.000 0.329 752 G C 0.664 175.578 174.900 0.022 0.000 1.271 752 G CA 0.760 45.890 45.100 0.050 0.000 1.003 752 G HN 1.159 nan 8.290 nan 0.000 0.549 753 N N 1.523 120.223 118.700 0.001 0.000 2.461 753 N HA 0.100 4.856 4.740 0.027 0.000 0.188 753 N C 0.561 176.025 175.510 -0.076 0.000 1.134 753 N CA 1.005 54.034 53.050 -0.035 0.000 0.878 753 N CB 0.186 38.650 38.487 -0.039 0.000 0.972 753 N HN 0.714 nan 8.380 nan 0.000 0.456 754 K N 0.071 120.422 120.400 -0.083 0.000 2.166 754 K HA 0.475 4.811 4.320 0.027 0.000 0.245 754 K C -0.591 175.844 176.600 -0.275 0.000 0.967 754 K CA -0.746 55.360 56.287 -0.302 0.000 0.863 754 K CB 2.194 34.393 32.500 -0.501 0.000 1.107 754 K HN -0.036 nan 8.250 nan 0.000 0.436 755 R N 1.503 121.737 120.500 -0.443 0.000 2.584 755 R HA 0.335 4.692 4.340 0.027 0.000 0.276 755 R C -1.730 174.509 176.300 -0.101 0.000 1.046 755 R CA -0.583 55.472 56.100 -0.076 0.000 0.906 755 R CB 1.245 31.503 30.300 -0.070 0.000 1.215 755 R HN 0.625 nan 8.270 nan 0.000 0.449 756 W N 3.640 125.012 121.300 0.119 0.000 2.739 756 W HA 0.318 4.994 4.660 0.027 0.000 0.331 756 W C -0.668 175.870 176.519 0.031 0.000 1.049 756 W CA -0.717 56.627 57.345 -0.000 0.000 1.234 756 W CB 2.215 31.623 29.460 -0.087 0.000 1.404 756 W HN 0.457 nan 8.180 nan 0.000 0.477 757 Q N 2.877 122.769 119.800 0.153 0.000 2.325 757 Q HA 0.426 4.782 4.340 0.027 0.000 0.270 757 Q C -1.849 174.088 176.000 -0.105 0.000 1.020 757 Q CA -0.509 55.389 55.803 0.157 0.000 0.785 757 Q CB 1.355 30.289 28.738 0.326 0.000 1.259 757 Q HN 0.374 nan 8.270 nan 0.000 0.452 758 F N 3.096 123.132 119.950 0.144 0.000 2.388 758 F HA 0.301 4.844 4.527 0.027 0.000 0.358 758 F C 0.559 176.398 175.800 0.064 0.000 1.122 758 F CA -0.894 57.158 58.000 0.087 0.000 1.056 758 F CB 1.120 40.168 39.000 0.081 0.000 1.155 758 F HN 0.503 nan 8.300 nan 0.000 0.461 759 N N 3.384 122.204 118.700 0.200 0.000 2.470 759 N HA 0.107 4.863 4.740 0.027 0.000 0.268 759 N C 0.879 176.429 175.510 0.066 0.000 1.136 759 N CA -0.019 53.099 53.050 0.113 0.000 0.961 759 N CB 0.841 39.401 38.487 0.121 0.000 1.067 759 N HN 0.646 nan 8.380 nan 0.000 0.468 760 R N 2.355 122.820 120.500 -0.059 0.000 2.193 760 R HA -0.025 4.331 4.340 0.027 0.000 0.213 760 R C 0.960 177.204 176.300 -0.093 0.000 1.055 760 R CA 0.878 56.881 56.100 -0.162 0.000 0.995 760 R CB 0.178 30.245 30.300 -0.390 0.000 0.893 760 R HN 0.533 nan 8.270 nan 0.000 0.459 761 Q N -0.103 119.675 119.800 -0.038 0.000 2.250 761 Q HA 0.009 4.365 4.340 0.027 0.000 0.200 761 Q C 2.076 178.086 176.000 0.017 0.000 0.941 761 Q CA 1.548 57.340 55.803 -0.018 0.000 0.872 761 Q CB 0.380 29.118 28.738 -0.000 0.000 0.965 761 Q HN 0.318 nan 8.270 nan 0.000 0.480 762 S N -1.910 113.835 115.700 0.075 0.000 2.456 762 S HA 0.225 4.712 4.470 0.027 0.000 0.224 762 S C 1.561 176.205 174.600 0.072 0.000 1.035 762 S CA 0.576 58.876 58.200 0.166 0.000 0.940 762 S CB 0.204 63.595 63.200 0.318 0.000 0.799 762 S HN 0.403 nan 8.310 nan 0.000 0.508 763 G N 0.459 109.277 108.800 0.030 0.000 2.136 763 G HA2 -0.200 3.776 3.960 0.027 0.000 0.242 763 G HA3 -0.200 3.776 3.960 0.027 0.000 0.242 763 G C -0.142 174.715 174.900 -0.072 0.000 0.989 763 G CA 0.229 45.300 45.100 -0.050 0.000 0.682 763 G HN 0.520 nan 8.290 nan 0.000 0.522 764 F N -1.196 118.953 119.950 0.331 0.000 2.538 764 F HA 0.668 5.211 4.527 0.027 0.000 0.325 764 F C 0.467 176.365 175.800 0.164 0.000 1.066 764 F CA -1.385 56.782 58.000 0.279 0.000 0.946 764 F CB 1.568 40.682 39.000 0.189 0.000 1.199 764 F HN 0.034 nan 8.300 nan 0.000 0.473 765 L N 2.168 123.536 121.223 0.241 0.000 2.485 765 L HA 0.188 4.544 4.340 0.027 0.000 0.279 765 L C 1.027 177.842 176.870 -0.091 0.000 1.124 765 L CA 0.451 55.110 54.840 -0.302 0.000 0.888 765 L CB 0.409 42.187 42.059 -0.468 0.000 1.217 765 L HN 0.712 nan 8.230 nan 0.000 0.464 766 S N 2.661 118.308 115.700 -0.088 0.000 2.503 766 S HA 0.211 4.698 4.470 0.027 0.000 0.217 766 S C 0.606 175.108 174.600 -0.164 0.000 0.999 766 S CA 0.074 58.243 58.200 -0.052 0.000 0.914 766 S CB 0.038 63.252 63.200 0.023 0.000 0.782 766 S HN 0.718 nan 8.310 nan 0.000 0.520 767 Q N -0.298 119.350 119.800 -0.254 0.000 2.578 767 Q HA 0.677 5.033 4.340 0.027 0.000 0.284 767 Q C -1.908 173.779 176.000 -0.522 0.000 0.960 767 Q CA -0.320 55.200 55.803 -0.473 0.000 0.809 767 Q CB 1.754 30.050 28.738 -0.735 0.000 1.462 767 Q HN 0.438 nan 8.270 nan 0.000 0.392 768 M N 1.585 120.765 119.600 -0.700 0.000 2.433 768 M HA 0.628 5.124 4.480 0.027 0.000 0.290 768 M C -1.731 174.218 176.300 -0.585 0.000 1.173 768 M CA -0.321 54.638 55.300 -0.568 0.000 0.905 768 M CB 1.990 34.226 32.600 -0.606 0.000 1.692 768 M HN 0.572 nan 8.290 nan 0.000 0.462 769 W N 3.933 124.998 121.300 -0.392 0.000 2.915 769 W HA 0.577 5.254 4.660 0.027 0.000 0.337 769 W C -1.523 174.808 176.519 -0.314 0.000 1.102 769 W CA -0.700 56.480 57.345 -0.275 0.000 1.224 769 W CB 1.698 31.035 29.460 -0.205 0.000 1.416 769 W HN 0.425 nan 8.180 nan 0.000 0.503 770 I N 2.572 123.130 120.570 -0.020 0.000 2.382 770 I HA 0.474 4.660 4.170 0.027 0.000 0.285 770 I C 0.803 176.907 176.117 -0.022 0.000 1.007 770 I CA 0.451 61.705 61.300 -0.077 0.000 1.142 770 I CB 1.069 39.000 38.000 -0.115 0.000 1.289 770 I HN 0.698 nan 8.210 nan 0.000 0.453 771 G N 5.446 114.230 108.800 -0.026 0.000 2.550 771 G HA2 -0.334 3.642 3.960 0.027 0.000 0.277 771 G HA3 -0.334 3.642 3.960 0.027 0.000 0.277 771 G C 0.416 175.332 174.900 0.027 0.000 1.190 771 G CA 0.543 45.633 45.100 -0.016 0.000 0.971 771 G HN 0.784 nan 8.290 nan 0.000 0.559 772 D N 0.636 121.057 120.400 0.036 0.000 2.339 772 D HA 0.142 4.799 4.640 0.027 0.000 0.217 772 D C 0.881 177.287 176.300 0.176 0.000 1.050 772 D CA 0.558 54.613 54.000 0.090 0.000 0.856 772 D CB 0.104 40.929 40.800 0.041 0.000 0.922 772 D HN 0.524 nan 8.370 nan 0.000 0.518 773 K N 1.142 121.603 120.400 0.101 0.000 2.276 773 K HA 0.187 4.524 4.320 0.027 0.000 0.285 773 K C -0.061 176.499 176.600 -0.066 0.000 1.062 773 K CA -0.439 55.864 56.287 0.028 0.000 0.918 773 K CB 1.124 33.609 32.500 -0.026 0.000 1.055 773 K HN -0.034 nan 8.250 nan 0.000 0.477 774 K N 2.385 122.662 120.400 -0.205 0.000 2.401 774 K HA -0.013 4.323 4.320 0.027 0.000 0.278 774 K C 0.995 177.401 176.600 -0.324 0.000 1.018 774 K CA 0.018 55.995 56.287 -0.517 0.000 0.981 774 K CB 0.741 32.937 32.500 -0.506 0.000 0.933 774 K HN 0.398 nan 8.250 nan 0.000 0.477 775 Q N 1.627 121.208 119.800 -0.364 0.000 2.378 775 Q HA 0.168 4.525 4.340 0.027 0.000 0.216 775 Q C 0.006 175.924 176.000 -0.135 0.000 0.892 775 Q CA 0.498 56.211 55.803 -0.151 0.000 0.931 775 Q CB 0.472 29.164 28.738 -0.077 0.000 1.086 775 Q HN 0.495 nan 8.270 nan 0.000 0.528 776 L N 0.665 121.739 121.223 -0.249 0.000 2.346 776 L HA 0.378 4.734 4.340 0.027 0.000 0.274 776 L C 1.031 177.769 176.870 -0.221 0.000 1.007 776 L CA -0.403 54.311 54.840 -0.210 0.000 0.818 776 L CB 1.711 43.639 42.059 -0.219 0.000 1.284 776 L HN -0.086 nan 8.230 nan 0.000 0.424 777 L N 0.718 121.808 121.223 -0.221 0.000 2.253 777 L HA 0.131 4.487 4.340 0.027 0.000 0.205 777 L C 0.848 177.600 176.870 -0.197 0.000 1.078 777 L CA 0.726 55.438 54.840 -0.213 0.000 0.805 777 L CB 0.242 42.152 42.059 -0.249 0.000 0.963 777 L HN 0.768 nan 8.230 nan 0.000 0.459 778 T N -2.513 111.898 114.554 -0.237 0.000 2.912 778 T HA 0.503 4.869 4.350 0.027 0.000 0.299 778 T C -2.844 171.786 174.700 -0.116 0.000 1.052 778 T CA -2.119 59.892 62.100 -0.149 0.000 0.996 778 T CB 2.270 71.074 68.868 -0.107 0.000 1.070 778 T HN -0.272 nan 8.240 nan 0.000 0.465 779 P HA 0.163 nan 4.420 nan 0.000 0.269 779 P C -0.364 176.915 177.300 -0.035 0.000 1.211 779 P CA -0.636 62.441 63.100 -0.038 0.000 0.781 779 P CB 0.292 31.995 31.700 0.005 0.000 0.877 780 L N 3.264 124.512 121.223 0.042 0.000 2.325 780 L HA 0.258 4.614 4.340 0.027 0.000 0.284 780 L C 0.197 177.077 176.870 0.017 0.000 1.089 780 L CA 0.531 55.437 54.840 0.110 0.000 0.836 780 L CB -0.519 41.712 42.059 0.285 0.000 1.184 780 L HN 0.295 nan 8.230 nan 0.000 0.444 781 R N 2.671 123.077 120.500 -0.156 0.000 2.867 781 R HA 0.483 4.839 4.340 0.027 0.000 0.268 781 R C -0.954 175.249 176.300 -0.161 0.000 1.014 781 R CA -1.027 54.818 56.100 -0.425 0.000 0.946 781 R CB 1.146 31.024 30.300 -0.703 0.000 1.208 781 R HN 0.539 nan 8.270 nan 0.000 0.477 782 D N 1.093 121.470 120.400 -0.038 0.000 2.400 782 D HA 0.046 4.702 4.640 0.027 0.000 0.238 782 D C -0.479 175.444 176.300 -0.629 0.000 1.157 782 D CA 0.434 54.249 54.000 -0.309 0.000 0.889 782 D CB 0.632 41.207 40.800 -0.376 0.000 1.199 782 D HN 0.200 nan 8.370 nan 0.000 0.436 783 Q N 0.991 120.208 119.800 -0.971 0.000 2.305 783 Q HA 0.363 4.719 4.340 0.027 0.000 0.271 783 Q C -1.280 173.967 176.000 -1.256 0.000 1.046 783 Q CA -0.575 54.696 55.803 -0.886 0.000 0.798 783 Q CB 0.859 29.305 28.738 -0.487 0.000 1.286 783 Q HN 0.566 nan 8.270 nan 0.000 0.435 784 F N 0.574 120.143 119.950 -0.635 0.000 2.781 784 F HA 0.190 4.733 4.527 0.027 0.000 0.322 784 F C 0.532 175.882 175.800 -0.751 0.000 1.108 784 F CA -0.205 57.300 58.000 -0.825 0.000 1.179 784 F CB 1.622 39.786 39.000 -1.393 0.000 1.072 784 F HN 0.448 nan 8.300 nan 0.000 0.545 785 T N -0.757 113.472 114.554 -0.541 0.000 2.926 785 T HA 0.792 5.158 4.350 0.027 0.000 0.289 785 T C -0.543 173.897 174.700 -0.433 0.000 1.054 785 T CA -0.925 60.792 62.100 -0.638 0.000 1.015 785 T CB 2.746 71.178 68.868 -0.727 0.000 1.167 785 T HN 0.249 nan 8.240 nan 0.000 0.526 786 R N -0.108 120.177 120.500 -0.359 0.000 2.808 786 R HA 0.764 5.120 4.340 0.027 0.000 0.272 786 R C -0.841 175.517 176.300 0.097 0.000 0.995 786 R CA -1.248 54.782 56.100 -0.116 0.000 0.917 786 R CB 1.497 31.746 30.300 -0.085 0.000 1.217 786 R HN 0.821 nan 8.270 nan 0.000 0.471 787 A N 3.211 126.071 122.820 0.066 0.000 2.505 787 A HA 0.283 4.619 4.320 0.027 0.000 0.271 787 A C -2.020 175.633 177.584 0.115 0.000 1.112 787 A CA -1.243 50.833 52.037 0.064 0.000 0.781 787 A CB -0.527 18.457 19.000 -0.026 0.000 1.059 787 A HN 0.518 nan 8.150 nan 0.000 0.508 788 P HA 0.126 nan 4.420 nan 0.000 0.265 788 P C -0.219 177.200 177.300 0.198 0.000 1.193 788 P CA 0.353 63.618 63.100 0.274 0.000 0.765 788 P CB 0.351 32.242 31.700 0.319 0.000 0.823 789 L N 2.388 123.701 121.223 0.151 0.000 2.475 789 L HA 0.168 4.524 4.340 0.027 0.000 0.253 789 L C 1.827 178.754 176.870 0.095 0.000 1.198 789 L CA -0.458 54.414 54.840 0.054 0.000 0.814 789 L CB -0.051 41.965 42.059 -0.072 0.000 1.134 789 L HN 0.298 nan 8.230 nan 0.000 0.478 790 D N 0.428 120.850 120.400 0.038 0.000 2.133 790 D HA -0.170 4.486 4.640 0.027 0.000 0.195 790 D C 1.633 177.937 176.300 0.007 0.000 0.997 790 D CA 1.491 55.481 54.000 -0.016 0.000 0.840 790 D CB -0.008 40.748 40.800 -0.073 0.000 0.947 790 D HN 0.501 nan 8.370 nan 0.000 0.452 791 N N 1.058 119.756 118.700 -0.002 0.000 2.244 791 N HA -0.113 4.644 4.740 0.027 0.000 0.183 791 N C 1.247 176.786 175.510 0.049 0.000 1.016 791 N CA 0.744 53.800 53.050 0.010 0.000 0.866 791 N CB -0.247 38.230 38.487 -0.016 0.000 0.980 791 N HN 0.259 nan 8.380 nan 0.000 0.430 792 D N 0.587 121.037 120.400 0.082 0.000 2.144 792 D HA 0.001 4.657 4.640 0.027 0.000 0.200 792 D C 2.049 178.402 176.300 0.089 0.000 0.978 792 D CA 0.441 54.521 54.000 0.133 0.000 0.833 792 D CB -0.020 40.948 40.800 0.280 0.000 0.961 792 D HN 0.300 nan 8.370 nan 0.000 0.470 793 I N 0.838 121.453 120.570 0.076 0.000 2.286 793 I HA -0.113 4.073 4.170 0.027 0.000 0.245 793 I C 0.971 177.086 176.117 -0.004 0.000 1.104 793 I CA 0.710 62.029 61.300 0.032 0.000 1.397 793 I CB -0.157 37.846 38.000 0.006 0.000 1.072 793 I HN -0.065 nan 8.210 nan 0.000 0.417 794 A N 0.799 123.623 122.820 0.006 0.000 2.734 794 A HA -0.117 4.219 4.320 0.027 0.000 0.296 794 A C -0.176 177.413 177.584 0.008 0.000 1.474 794 A CA 0.195 52.238 52.037 0.011 0.000 0.735 794 A CB -2.105 16.883 19.000 -0.020 0.000 1.062 794 A HN 0.153 nan 8.150 nan 0.000 0.463 795 V N 0.686 120.600 119.914 -0.001 0.000 2.656 795 V HA 0.685 4.821 4.120 0.027 0.000 0.307 795 V C 1.094 177.075 176.094 -0.188 0.000 1.051 795 V CA 0.254 62.505 62.300 -0.082 0.000 0.893 795 V CB 2.132 33.892 31.823 -0.104 0.000 0.999 795 V HN 1.317 nan 8.190 nan 0.000 0.426 796 S N 2.051 117.462 115.700 -0.482 0.000 2.559 796 S HA 0.404 4.890 4.470 0.027 0.000 0.226 796 S C 0.266 174.225 174.600 -1.068 0.000 1.030 796 S CA -0.332 57.047 58.200 -1.368 0.000 0.956 796 S CB 0.462 62.711 63.200 -1.584 0.000 0.900 796 S HN 0.699 nan 8.310 nan 0.000 0.510 803 P HA 0.141 nan 4.420 nan 0.000 0.245 803 P C 0.638 177.830 177.300 -0.180 0.000 1.212 803 P CA 0.368 63.396 63.100 -0.121 0.000 0.774 803 P CB 0.275 31.918 31.700 -0.096 0.000 0.999 804 N N -0.268 118.314 118.700 -0.197 0.000 2.412 804 N HA 0.113 4.870 4.740 0.027 0.000 0.184 804 N C 0.420 175.698 175.510 -0.387 0.000 1.101 804 N CA -0.077 52.803 53.050 -0.284 0.000 0.881 804 N CB -0.332 38.013 38.487 -0.236 0.000 0.969 804 N HN -0.011 nan 8.380 nan 0.000 0.459 805 A N -0.365 122.285 122.820 -0.284 0.000 2.540 805 A HA -0.033 4.303 4.320 0.027 0.000 0.239 805 A C 0.631 177.960 177.584 -0.424 0.000 1.061 805 A CA -0.129 51.742 52.037 -0.276 0.000 0.758 805 A CB -0.078 18.837 19.000 -0.142 0.000 0.991 805 A HN 0.482 nan 8.150 nan 0.000 0.502 806 W N 1.894 122.938 121.300 -0.428 0.000 2.321 806 W HA -0.177 4.499 4.660 0.026 0.000 0.306 806 W C 2.207 178.172 176.519 -0.923 0.000 1.217 806 W CA 1.736 58.561 57.345 -0.867 0.000 1.257 806 W CB -0.493 28.284 29.460 -1.139 0.000 1.145 806 W HN 0.559 nan 8.180 nan 0.000 0.509 807 V N 0.821 120.607 119.914 -0.213 0.000 2.332 807 V HA -0.277 3.859 4.120 0.027 0.000 0.248 807 V C 2.256 178.409 176.094 0.098 0.000 1.055 807 V CA 2.145 64.521 62.300 0.127 0.000 1.038 807 V CB -0.399 31.540 31.823 0.193 0.000 0.651 807 V HN 0.072 nan 8.190 nan 0.000 0.450 808 E N 0.010 120.182 120.200 -0.047 0.000 2.051 808 E HA -0.226 4.140 4.350 0.027 0.000 0.192 808 E C 2.331 178.887 176.600 -0.073 0.000 0.991 808 E CA 1.438 57.809 56.400 -0.048 0.000 0.799 808 E CB -0.411 29.227 29.700 -0.103 0.000 0.748 808 E HN 0.607 nan 8.360 nan 0.000 0.449 809 R N -0.204 120.167 120.500 -0.215 0.000 2.073 809 R HA -0.134 4.222 4.340 0.027 0.000 0.234 809 R C 2.375 178.603 176.300 -0.119 0.000 1.134 809 R CA 1.443 57.395 56.100 -0.246 0.000 0.952 809 R CB -0.250 29.774 30.300 -0.460 0.000 0.850 809 R HN 0.265 nan 8.270 nan 0.000 0.433 810 W N 1.471 122.724 121.300 -0.079 0.000 2.335 810 W HA -0.112 4.565 4.660 0.027 0.000 0.311 810 W C 2.000 178.477 176.519 -0.070 0.000 1.213 810 W CA 0.751 57.961 57.345 -0.226 0.000 1.274 810 W CB -0.719 28.749 29.460 0.013 0.000 1.148 810 W HN 0.128 nan 8.180 nan 0.000 0.498 811 K N -0.025 120.593 120.400 0.363 0.000 2.026 811 K HA -0.126 4.210 4.320 0.027 0.000 0.208 811 K C 2.252 178.914 176.600 0.105 0.000 1.048 811 K CA 1.776 58.231 56.287 0.280 0.000 0.929 811 K CB -0.620 31.991 32.500 0.186 0.000 0.713 811 K HN -0.006 nan 8.250 nan 0.000 0.439 812 A N 1.340 124.188 122.820 0.047 0.000 1.940 812 A HA -0.144 4.193 4.320 0.027 0.000 0.219 812 A C 2.234 179.813 177.584 -0.009 0.000 1.176 812 A CA 1.962 54.006 52.037 0.012 0.000 0.631 812 A CB -0.571 18.419 19.000 -0.018 0.000 0.814 812 A HN 0.370 nan 8.150 nan 0.000 0.446 813 A N -2.047 120.743 122.820 -0.051 0.000 2.206 813 A HA 0.392 4.728 4.320 0.027 0.000 0.211 813 A C 1.873 179.391 177.584 -0.110 0.000 1.158 813 A CA 1.264 53.273 52.037 -0.046 0.000 0.761 813 A CB -0.909 18.034 19.000 -0.095 0.000 0.801 813 A HN 1.931 nan 8.150 nan 0.000 0.473 814 G N -1.517 107.121 108.800 -0.271 0.000 2.143 814 G HA2 -0.323 3.653 3.960 0.027 0.000 0.249 814 G HA3 -0.323 3.653 3.960 0.027 0.000 0.249 814 G C 0.614 175.465 174.900 -0.081 0.000 0.981 814 G CA 0.726 45.405 45.100 -0.702 0.000 0.665 814 G HN 0.757 nan 8.290 nan 0.000 0.528 815 H N -1.353 117.694 119.070 -0.039 0.000 2.390 815 H HA -0.136 4.436 4.556 0.027 0.000 0.298 815 H C 2.152 177.461 175.328 -0.033 0.000 1.106 815 H CA 1.712 57.765 56.048 0.007 0.000 1.297 815 H CB 0.021 29.728 29.762 -0.091 0.000 1.375 815 H HN 0.623 nan 8.280 nan 0.000 0.509 816 Y N 0.171 120.591 120.300 0.200 0.000 2.544 816 Y HA -0.039 4.527 4.550 0.027 0.000 0.286 816 Y C 2.126 178.110 175.900 0.140 0.000 1.141 816 Y CA 0.404 58.584 58.100 0.133 0.000 1.299 816 Y CB 0.358 38.879 38.460 0.102 0.000 1.030 816 Y HN 0.180 nan 8.280 nan 0.000 0.543 817 Q N -0.216 119.755 119.800 0.285 0.000 2.319 817 Q HA 0.289 4.645 4.340 0.027 0.000 0.209 817 Q C 0.670 176.872 176.000 0.336 0.000 0.884 817 Q CA -0.206 55.765 55.803 0.281 0.000 0.938 817 Q CB 0.528 29.440 28.738 0.290 0.000 1.098 817 Q HN 0.298 nan 8.270 nan 0.000 0.517 818 A N 2.435 125.475 122.820 0.367 0.000 2.540 818 A HA 0.018 4.354 4.320 0.027 0.000 0.239 818 A C -0.062 177.844 177.584 0.537 0.000 1.061 818 A CA 0.207 52.530 52.037 0.476 0.000 0.758 818 A CB 0.139 19.455 19.000 0.526 0.000 0.991 818 A HN 0.177 nan 8.150 nan 0.000 0.502 819 E N 1.829 122.259 120.200 0.384 0.000 2.171 819 E HA 0.548 4.914 4.350 0.027 0.000 0.271 819 E C -0.414 176.117 176.600 -0.116 0.000 0.916 819 E CA -0.631 55.884 56.400 0.192 0.000 0.774 819 E CB 1.554 31.333 29.700 0.132 0.000 1.128 819 E HN 0.651 nan 8.360 nan 0.000 0.403 820 A N 2.425 125.028 122.820 -0.362 0.000 2.409 820 A HA 0.531 4.867 4.320 0.027 0.000 0.262 820 A C -0.117 177.287 177.584 -0.300 0.000 1.113 820 A CA -0.158 51.374 52.037 -0.841 0.000 0.790 820 A CB 0.398 18.951 19.000 -0.744 0.000 1.046 820 A HN 0.708 nan 8.150 nan 0.000 0.496 821 A N 2.297 124.948 122.820 -0.282 0.000 2.342 821 A HA 0.616 4.952 4.320 0.027 0.000 0.323 821 A C -0.595 176.909 177.584 -0.133 0.000 1.125 821 A CA -0.566 51.399 52.037 -0.121 0.000 0.785 821 A CB 0.767 19.719 19.000 -0.080 0.000 1.221 821 A HN 1.269 nan 8.150 nan 0.000 0.463 822 L N 3.046 124.175 121.223 -0.156 0.000 2.281 822 L HA 0.411 4.767 4.340 0.027 0.000 0.285 822 L C 0.284 177.029 176.870 -0.208 0.000 1.074 822 L CA 0.188 54.840 54.840 -0.314 0.000 0.817 822 L CB 0.389 42.271 42.059 -0.296 0.000 1.168 822 L HN 0.759 nan 8.230 nan 0.000 0.434 823 L N 3.573 124.657 121.223 -0.231 0.000 2.537 823 L HA 0.342 4.698 4.340 0.027 0.000 0.224 823 L C 0.282 177.085 176.870 -0.112 0.000 1.065 823 L CA 0.011 54.779 54.840 -0.121 0.000 0.860 823 L CB 0.067 42.089 42.059 -0.062 0.000 1.086 823 L HN 0.759 nan 8.230 nan 0.000 0.482 824 Q N -0.258 119.443 119.800 -0.165 0.000 2.541 824 Q HA 0.270 4.626 4.340 0.027 0.000 0.259 824 Q C -2.104 173.836 176.000 -0.100 0.000 0.974 824 Q CA -0.554 55.191 55.803 -0.097 0.000 0.955 824 Q CB 2.504 31.214 28.738 -0.047 0.000 1.517 824 Q HN 0.042 nan 8.270 nan 0.000 0.412 825 C N 3.456 122.741 119.300 -0.025 0.000 2.620 825 C HA 0.859 5.336 4.460 0.027 0.000 0.356 825 C C -0.864 174.254 174.990 0.213 0.000 1.082 825 C CA 0.627 59.680 59.018 0.058 0.000 1.293 825 C CB 0.689 28.446 27.740 0.027 0.000 1.836 825 C HN 0.826 nan 8.230 nan 0.000 0.453 826 T N 2.645 117.279 114.554 0.133 0.000 2.896 826 T HA 0.884 5.250 4.350 0.027 0.000 0.297 826 T C -0.614 173.844 174.700 -0.405 0.000 1.108 826 T CA -0.248 61.860 62.100 0.012 0.000 1.004 826 T CB 1.885 70.732 68.868 -0.035 0.000 1.159 826 T HN 1.624 nan 8.240 nan 0.000 0.499 827 A N 1.729 124.099 122.820 -0.750 0.000 2.355 827 A HA 0.783 5.119 4.320 0.027 0.000 0.317 827 A C -1.068 176.255 177.584 -0.435 0.000 1.094 827 A CA -0.694 50.832 52.037 -0.853 0.000 0.764 827 A CB 1.184 19.332 19.000 -1.420 0.000 1.230 827 A HN 0.893 nan 8.150 nan 0.000 0.448 828 D N 0.845 121.051 120.400 -0.324 0.000 2.857 828 D HA 0.455 5.111 4.640 0.027 0.000 0.227 828 D C -1.111 175.086 176.300 -0.171 0.000 1.192 828 D CA -0.031 53.850 54.000 -0.199 0.000 0.857 828 D CB 2.436 43.151 40.800 -0.142 0.000 1.645 828 D HN 0.416 nan 8.370 nan 0.000 0.482 829 T N 1.953 116.431 114.554 -0.126 0.000 2.771 829 T HA 0.466 4.832 4.350 0.027 0.000 0.281 829 T C 0.566 175.223 174.700 -0.071 0.000 0.982 829 T CA -0.543 61.497 62.100 -0.101 0.000 0.978 829 T CB 0.937 69.753 68.868 -0.086 0.000 0.930 829 T HN 0.099 nan 8.240 nan 0.000 0.447 830 L N 1.504 122.689 121.223 -0.064 0.000 2.397 830 L HA 0.577 4.933 4.340 0.027 0.000 0.266 830 L C 1.934 178.785 176.870 -0.031 0.000 1.040 830 L CA -1.185 53.628 54.840 -0.045 0.000 0.800 830 L CB 0.333 42.365 42.059 -0.044 0.000 1.324 830 L HN 0.705 nan 8.230 nan 0.000 0.469 831 A N 0.392 123.199 122.820 -0.021 0.000 2.019 831 A HA -0.157 4.179 4.320 0.027 0.000 0.219 831 A C 1.010 178.588 177.584 -0.009 0.000 1.164 831 A CA 1.929 53.959 52.037 -0.013 0.000 0.644 831 A CB -0.500 18.494 19.000 -0.010 0.000 0.805 831 A HN 0.902 nan 8.150 nan 0.000 0.449 832 D N -2.990 117.402 120.400 -0.014 0.000 2.594 832 D HA 0.547 5.203 4.640 0.027 0.000 0.256 832 D C 0.031 176.320 176.300 -0.018 0.000 1.393 832 D CA 0.680 54.675 54.000 -0.009 0.000 0.797 832 D CB -0.335 40.462 40.800 -0.005 0.000 1.110 832 D HN 0.489 nan 8.370 nan 0.000 0.495 833 A N -0.629 122.171 122.820 -0.034 0.000 2.511 833 A HA 0.622 4.958 4.320 0.027 0.000 0.293 833 A C -1.862 175.674 177.584 -0.080 0.000 1.098 833 A CA -0.684 51.318 52.037 -0.057 0.000 0.643 833 A CB 1.269 20.234 19.000 -0.058 0.000 1.302 833 A HN 0.018 nan 8.150 nan 0.000 0.446 834 V N 0.549 120.395 119.914 -0.113 0.000 2.495 834 V HA 0.661 4.797 4.120 0.027 0.000 0.298 834 V C -0.940 175.059 176.094 -0.158 0.000 1.031 834 V CA -0.411 61.803 62.300 -0.144 0.000 0.871 834 V CB 1.361 33.090 31.823 -0.157 0.000 0.988 834 V HN 0.983 nan 8.190 nan 0.000 0.432 835 L N 6.459 127.576 121.223 -0.176 0.000 2.349 835 L HA 0.672 5.028 4.340 0.027 0.000 0.278 835 L C -0.945 175.778 176.870 -0.244 0.000 0.996 835 L CA 0.042 54.785 54.840 -0.163 0.000 0.825 835 L CB 1.254 43.246 42.059 -0.110 0.000 1.243 835 L HN 0.416 nan 8.230 nan 0.000 0.412 836 I N 3.971 124.384 120.570 -0.261 0.000 2.412 836 I HA 0.455 4.641 4.170 0.027 0.000 0.296 836 I C -0.070 175.991 176.117 -0.094 0.000 0.987 836 I CA -0.244 60.836 61.300 -0.367 0.000 1.180 836 I CB 1.663 39.143 38.000 -0.865 0.000 1.340 836 I HN 0.599 nan 8.210 nan 0.000 0.455 837 T N 4.650 119.153 114.554 -0.086 0.000 2.812 837 T HA 0.601 4.967 4.350 0.027 0.000 0.282 837 T C 0.111 174.834 174.700 0.039 0.000 0.990 837 T CA -0.532 61.571 62.100 0.006 0.000 0.960 837 T CB 1.673 70.526 68.868 -0.026 0.000 0.948 837 T HN 0.788 nan 8.240 nan 0.000 0.438 838 T N -0.288 114.330 114.554 0.107 0.000 2.901 838 T HA 0.899 5.266 4.350 0.027 0.000 0.293 838 T C -1.107 173.644 174.700 0.085 0.000 1.084 838 T CA -1.097 61.051 62.100 0.080 0.000 1.008 838 T CB 2.076 71.083 68.868 0.231 0.000 1.170 838 T HN 0.780 nan 8.240 nan 0.000 0.509 839 A N 1.445 124.241 122.820 -0.039 0.000 2.488 839 A HA 0.744 5.080 4.320 0.027 0.000 0.295 839 A C -1.548 175.980 177.584 -0.094 0.000 1.045 839 A CA -0.801 51.267 52.037 0.052 0.000 0.703 839 A CB 0.880 19.899 19.000 0.032 0.000 1.271 839 A HN 1.001 nan 8.150 nan 0.000 0.400 840 H N 0.041 119.161 119.070 0.083 0.000 2.928 840 H HA 0.820 5.392 4.556 0.027 0.000 0.371 840 H C -0.064 175.299 175.328 0.058 0.000 1.186 840 H CA 0.179 56.208 56.048 -0.031 0.000 1.134 840 H CB 2.107 31.748 29.762 -0.200 0.000 1.824 840 H HN 1.020 nan 8.280 nan 0.000 0.554 841 A N 1.453 124.301 122.820 0.047 0.000 2.355 841 A HA 0.489 4.825 4.320 0.027 0.000 0.317 841 A C -1.346 176.238 177.584 0.001 0.000 1.094 841 A CA -0.713 51.407 52.037 0.138 0.000 0.764 841 A CB 1.165 20.211 19.000 0.077 0.000 1.230 841 A HN 0.579 nan 8.150 nan 0.000 0.448 842 W N 1.861 123.272 121.300 0.185 0.000 2.376 842 W HA 0.450 5.127 4.660 0.027 0.000 0.312 842 W C -0.409 176.135 176.519 0.042 0.000 1.060 842 W CA -0.159 57.294 57.345 0.179 0.000 1.221 842 W CB 1.732 31.372 29.460 0.300 0.000 1.281 842 W HN 0.775 nan 8.180 nan 0.000 0.456 843 Q N 1.309 121.252 119.800 0.239 0.000 2.458 843 Q HA 0.435 4.791 4.340 0.027 0.000 0.282 843 Q C -0.967 175.171 176.000 0.230 0.000 1.106 843 Q CA -0.840 55.058 55.803 0.158 0.000 0.814 843 Q CB 3.648 32.437 28.738 0.084 0.000 1.425 843 Q HN 0.377 nan 8.270 nan 0.000 0.437 844 H N 1.236 120.345 119.070 0.066 0.000 3.096 844 H HA 0.093 4.665 4.556 0.027 0.000 0.335 844 H C -0.994 174.367 175.328 0.055 0.000 0.990 844 H CA -0.153 55.942 56.048 0.079 0.000 1.393 844 H CB 1.181 31.000 29.762 0.095 0.000 1.742 844 H HN 0.801 nan 8.280 nan 0.000 0.501 845 Q N 2.945 122.535 119.800 -0.350 0.000 2.434 845 Q HA -0.261 4.096 4.340 0.027 0.000 0.299 845 Q C 1.032 176.996 176.000 -0.060 0.000 1.286 845 Q CA 1.311 56.987 55.803 -0.211 0.000 0.872 845 Q CB -1.281 27.322 28.738 -0.227 0.000 1.193 845 Q HN 1.181 nan 8.270 nan 0.000 0.466 846 G N -0.955 107.826 108.800 -0.030 0.000 2.225 846 G HA2 -0.376 3.600 3.960 0.027 0.000 0.254 846 G HA3 -0.376 3.600 3.960 0.027 0.000 0.254 846 G C 0.084 174.994 174.900 0.017 0.000 0.988 846 G CA 0.300 45.398 45.100 -0.003 0.000 0.625 846 G HN 0.340 nan 8.290 nan 0.000 0.527 847 K N 2.039 122.460 120.400 0.035 0.000 2.258 847 K HA 0.603 4.939 4.320 0.027 0.000 0.284 847 K C 0.033 176.652 176.600 0.031 0.000 1.051 847 K CA 0.058 56.369 56.287 0.040 0.000 0.923 847 K CB 0.653 33.189 32.500 0.060 0.000 1.046 847 K HN 0.029 nan 8.250 nan 0.000 0.474 848 T N 6.604 121.166 114.554 0.012 0.000 2.727 848 T HA 0.214 4.580 4.350 0.027 0.000 0.298 848 T C 1.218 175.870 174.700 -0.079 0.000 0.942 848 T CA -0.446 61.657 62.100 0.005 0.000 0.997 848 T CB 0.317 69.206 68.868 0.034 0.000 0.917 848 T HN 0.524 nan 8.240 nan 0.000 0.487 849 L N 2.468 123.565 121.223 -0.210 0.000 2.034 849 L HA 0.253 4.609 4.340 0.027 0.000 0.203 849 L C 0.066 176.486 176.870 -0.749 0.000 1.074 849 L CA 1.214 55.645 54.840 -0.681 0.000 0.748 849 L CB -0.071 41.213 42.059 -1.292 0.000 0.905 849 L HN 0.527 nan 8.230 nan 0.000 0.439 850 F N -1.341 118.562 119.950 -0.079 0.000 2.599 850 F HA 0.573 5.116 4.527 0.027 0.000 0.311 850 F C -0.470 175.406 175.800 0.127 0.000 1.076 850 F CA -0.818 57.073 58.000 -0.182 0.000 0.937 850 F CB 1.975 40.465 39.000 -0.851 0.000 1.282 850 F HN -0.296 nan 8.300 nan 0.000 0.460 851 I N 1.482 122.244 120.570 0.321 0.000 2.466 851 I HA 0.363 4.549 4.170 0.027 0.000 0.289 851 I C -0.788 175.564 176.117 0.392 0.000 1.026 851 I CA -0.530 60.990 61.300 0.367 0.000 1.078 851 I CB 2.209 40.347 38.000 0.231 0.000 1.249 851 I HN 0.537 nan 8.210 nan 0.000 0.429 852 S N 6.622 122.648 115.700 0.543 0.000 2.498 852 S HA 0.576 5.062 4.470 0.027 0.000 0.317 852 S C -0.660 174.164 174.600 0.373 0.000 1.090 852 S CA -0.676 57.812 58.200 0.481 0.000 1.089 852 S CB 0.637 64.230 63.200 0.655 0.000 0.997 852 S HN 0.534 nan 8.310 nan 0.000 0.470 853 R N 3.554 124.199 120.500 0.242 0.000 2.387 853 R HA 0.582 4.938 4.340 0.027 0.000 0.314 853 R C -0.634 175.725 176.300 0.098 0.000 0.958 853 R CA -0.786 55.414 56.100 0.167 0.000 0.846 853 R CB 1.728 32.102 30.300 0.123 0.000 1.147 853 R HN 0.531 nan 8.270 nan 0.000 0.447 854 K N 0.867 121.315 120.400 0.081 0.000 2.480 854 K HA 0.463 4.799 4.320 0.027 0.000 0.258 854 K C -0.843 175.718 176.600 -0.066 0.000 0.990 854 K CA -0.880 55.377 56.287 -0.050 0.000 0.857 854 K CB 2.672 35.132 32.500 -0.066 0.000 1.384 854 K HN 0.669 nan 8.250 nan 0.000 0.446 855 T N -1.387 113.057 114.554 -0.183 0.000 2.893 855 T HA 0.584 4.950 4.350 0.027 0.000 0.293 855 T C -1.300 173.274 174.700 -0.209 0.000 1.027 855 T CA -0.738 61.301 62.100 -0.102 0.000 0.988 855 T CB 0.570 69.409 68.868 -0.048 0.000 1.043 855 T HN 0.392 nan 8.240 nan 0.000 0.461 856 Y N 0.808 121.070 120.300 -0.063 0.000 2.361 856 Y HA 0.657 5.223 4.550 0.027 0.000 0.337 856 Y C 0.363 176.207 175.900 -0.093 0.000 0.965 856 Y CA -1.105 56.983 58.100 -0.019 0.000 1.091 856 Y CB 2.073 40.553 38.460 0.033 0.000 1.182 856 Y HN 0.724 nan 8.280 nan 0.000 0.450 857 R N 4.323 124.863 120.500 0.065 0.000 2.388 857 R HA 0.653 5.009 4.340 0.027 0.000 0.314 857 R C -1.751 174.510 176.300 -0.066 0.000 0.959 857 R CA -0.427 55.660 56.100 -0.021 0.000 0.851 857 R CB 0.614 30.905 30.300 -0.015 0.000 1.168 857 R HN 0.791 nan 8.270 nan 0.000 0.472 858 I N 4.990 125.462 120.570 -0.163 0.000 2.336 858 I HA 0.225 4.411 4.170 0.027 0.000 0.292 858 I C -0.180 175.819 176.117 -0.197 0.000 0.991 858 I CA -0.548 60.569 61.300 -0.304 0.000 1.227 858 I CB 1.438 39.047 38.000 -0.652 0.000 1.366 858 I HN 0.691 nan 8.210 nan 0.000 0.466 859 D N 4.202 124.525 120.400 -0.128 0.000 2.621 859 D HA 0.276 4.932 4.640 0.027 0.000 0.255 859 D C 1.167 177.460 176.300 -0.012 0.000 1.122 859 D CA -0.759 53.209 54.000 -0.053 0.000 1.096 859 D CB 0.912 41.703 40.800 -0.015 0.000 1.282 859 D HN 0.466 nan 8.370 nan 0.000 0.619 860 G N -1.053 107.758 108.800 0.018 0.000 2.470 860 G HA2 -0.189 3.787 3.960 0.027 0.000 0.220 860 G HA3 -0.189 3.787 3.960 0.027 0.000 0.220 860 G C 1.141 176.093 174.900 0.087 0.000 1.121 860 G CA 1.175 46.307 45.100 0.053 0.000 0.766 860 G HN 0.546 nan 8.290 nan 0.000 0.553 861 S N -1.098 114.650 115.700 0.080 0.000 2.548 861 S HA 0.385 4.871 4.470 0.027 0.000 0.215 861 S C 1.808 176.486 174.600 0.129 0.000 0.976 861 S CA 0.889 59.154 58.200 0.107 0.000 0.908 861 S CB 0.189 63.444 63.200 0.091 0.000 0.781 861 S HN 1.425 nan 8.310 nan 0.000 0.519 862 G N 0.708 109.588 108.800 0.134 0.000 2.175 862 G HA2 -0.229 3.747 3.960 0.027 0.000 0.244 862 G HA3 -0.229 3.747 3.960 0.027 0.000 0.244 862 G C -0.206 174.836 174.900 0.235 0.000 0.982 862 G CA -0.100 45.143 45.100 0.237 0.000 0.641 862 G HN 0.584 nan 8.290 nan 0.000 0.527 863 Q N -0.298 119.581 119.800 0.132 0.000 2.261 863 Q HA 0.632 4.988 4.340 0.027 0.000 0.252 863 Q C 0.187 176.234 176.000 0.078 0.000 0.915 863 Q CA -0.230 55.658 55.803 0.143 0.000 0.915 863 Q CB 1.543 30.353 28.738 0.119 0.000 1.204 863 Q HN 0.423 nan 8.270 nan 0.000 0.421 864 M N 2.258 121.946 119.600 0.147 0.000 2.047 864 M HA 0.452 4.948 4.480 0.027 0.000 0.342 864 M C -1.223 175.196 176.300 0.199 0.000 1.058 864 M CA -0.468 54.894 55.300 0.103 0.000 0.991 864 M CB 0.782 33.477 32.600 0.158 0.000 1.474 864 M HN 0.705 nan 8.290 nan 0.000 0.419 865 A N 6.910 129.808 122.820 0.130 0.000 2.309 865 A HA 0.624 4.960 4.320 0.027 0.000 0.290 865 A C -0.651 176.986 177.584 0.089 0.000 1.206 865 A CA -0.482 51.628 52.037 0.122 0.000 0.850 865 A CB -0.076 18.971 19.000 0.078 0.000 1.118 865 A HN 0.916 nan 8.150 nan 0.000 0.523 866 I N 2.494 123.105 120.570 0.068 0.000 2.378 866 I HA 0.318 4.505 4.170 0.027 0.000 0.291 866 I C -0.168 175.843 176.117 -0.176 0.000 0.992 866 I CA -0.270 60.965 61.300 -0.109 0.000 1.154 866 I CB 2.108 40.066 38.000 -0.070 0.000 1.315 866 I HN 0.489 nan 8.210 nan 0.000 0.448 867 T N 5.695 120.106 114.554 -0.238 0.000 2.771 867 T HA 0.553 4.920 4.350 0.027 0.000 0.281 867 T C -0.238 174.259 174.700 -0.340 0.000 0.982 867 T CA -0.507 61.446 62.100 -0.244 0.000 0.978 867 T CB 1.823 70.642 68.868 -0.083 0.000 0.930 867 T HN 0.223 nan 8.240 nan 0.000 0.447 868 V N 3.554 123.146 119.914 -0.536 0.000 2.588 868 V HA 0.460 4.596 4.120 0.027 0.000 0.304 868 V C -0.749 175.191 176.094 -0.257 0.000 1.042 868 V CA -0.902 61.119 62.300 -0.465 0.000 0.877 868 V CB 2.046 33.353 31.823 -0.860 0.000 0.996 868 V HN 0.861 nan 8.190 nan 0.000 0.425 869 D N 3.500 123.900 120.400 0.001 0.000 2.505 869 D HA 0.481 5.137 4.640 0.027 0.000 0.250 869 D C -0.933 175.478 176.300 0.185 0.000 1.164 869 D CA -0.094 53.997 54.000 0.152 0.000 0.870 869 D CB 2.668 43.578 40.800 0.182 0.000 1.160 869 D HN 0.240 nan 8.370 nan 0.000 0.549 870 V N 2.137 122.194 119.914 0.239 0.000 2.581 870 V HA 0.315 4.451 4.120 0.027 0.000 0.303 870 V C 0.148 176.370 176.094 0.212 0.000 1.041 870 V CA -0.621 61.831 62.300 0.253 0.000 0.907 870 V CB 2.458 34.465 31.823 0.308 0.000 0.994 870 V HN 0.403 nan 8.190 nan 0.000 0.442 871 E N 2.049 122.359 120.200 0.184 0.000 2.199 871 E HA 0.652 5.018 4.350 0.027 0.000 0.269 871 E C -1.691 175.007 176.600 0.164 0.000 0.899 871 E CA -0.489 56.002 56.400 0.151 0.000 0.772 871 E CB 2.270 32.044 29.700 0.124 0.000 1.155 871 E HN 0.455 nan 8.360 nan 0.000 0.408 872 V N 2.826 122.846 119.914 0.175 0.000 2.409 872 V HA 0.417 4.553 4.120 0.027 0.000 0.291 872 V C 0.009 176.191 176.094 0.147 0.000 1.020 872 V CA -0.892 61.537 62.300 0.214 0.000 0.848 872 V CB 1.376 33.368 31.823 0.281 0.000 0.990 872 V HN 0.857 nan 8.190 nan 0.000 0.430 873 A N 3.608 126.474 122.820 0.077 0.000 2.546 873 A HA 0.264 4.600 4.320 0.027 0.000 0.243 873 A C 1.645 179.299 177.584 0.115 0.000 1.063 873 A CA 0.617 52.691 52.037 0.062 0.000 0.757 873 A CB 0.233 19.237 19.000 0.006 0.000 0.991 873 A HN 1.363 nan 8.150 nan 0.000 0.503 874 S N 1.300 117.064 115.700 0.108 0.000 2.440 874 S HA -0.175 4.311 4.470 0.027 0.000 0.238 874 S C 0.899 175.578 174.600 0.132 0.000 1.010 874 S CA 1.426 59.710 58.200 0.140 0.000 0.972 874 S CB -0.317 62.944 63.200 0.101 0.000 0.774 874 S HN 0.832 nan 8.310 nan 0.000 0.501 875 D N 0.169 120.619 120.400 0.084 0.000 2.340 875 D HA 0.147 4.803 4.640 0.027 0.000 0.217 875 D C 0.522 176.853 176.300 0.052 0.000 1.081 875 D CA 0.030 54.062 54.000 0.054 0.000 0.842 875 D CB -0.368 40.452 40.800 0.033 0.000 0.934 875 D HN 0.315 nan 8.370 nan 0.000 0.511 876 T N 1.266 115.878 114.554 0.095 0.000 2.928 876 T HA 0.402 4.768 4.350 0.027 0.000 0.284 876 T C -2.624 172.183 174.700 0.178 0.000 1.008 876 T CA -2.021 60.163 62.100 0.140 0.000 1.057 876 T CB 1.234 70.202 68.868 0.166 0.000 1.018 876 T HN -0.160 nan 8.240 nan 0.000 0.493 877 P HA 0.082 nan 4.420 nan 0.000 0.265 877 P C -0.587 177.031 177.300 0.530 0.000 1.193 877 P CA 0.116 63.316 63.100 0.166 0.000 0.765 877 P CB -0.077 31.692 31.700 0.114 0.000 0.823 878 H N 3.686 123.130 119.070 0.624 0.000 3.094 878 H HA 0.050 4.623 4.556 0.027 0.000 0.320 878 H C -1.517 174.180 175.328 0.616 0.000 1.000 878 H CA -1.196 55.163 56.048 0.517 0.000 1.413 878 H CB -0.456 29.547 29.762 0.402 0.000 1.405 878 H HN 0.389 nan 8.280 nan 0.000 0.586 879 P HA 0.002 nan 4.420 nan 0.000 0.274 879 P C 0.094 177.331 177.300 -0.106 0.000 1.237 879 P CA -0.277 62.914 63.100 0.152 0.000 0.793 879 P CB 1.064 32.662 31.700 -0.170 0.000 0.977 880 A N 3.088 125.586 122.820 -0.537 0.000 2.015 880 A HA -0.088 4.249 4.320 0.027 0.000 0.219 880 A C 1.031 178.249 177.584 -0.611 0.000 1.163 880 A CA 1.261 52.943 52.037 -0.591 0.000 0.646 880 A CB -0.543 17.851 19.000 -1.011 0.000 0.806 880 A HN 0.757 nan 8.150 nan 0.000 0.448 881 R N -2.970 117.198 120.500 -0.554 0.000 2.728 881 R HA 0.709 5.065 4.340 0.027 0.000 0.274 881 R C -1.715 174.347 176.300 -0.397 0.000 1.032 881 R CA -0.806 54.975 56.100 -0.531 0.000 0.866 881 R CB 0.706 30.632 30.300 -0.622 0.000 1.263 881 R HN -0.009 nan 8.270 nan 0.000 0.475 882 I N 1.158 121.539 120.570 -0.317 0.000 2.517 882 I HA 0.647 4.833 4.170 0.027 0.000 0.280 882 I C -0.350 175.566 176.117 -0.334 0.000 1.061 882 I CA -0.292 60.859 61.300 -0.248 0.000 1.091 882 I CB 1.849 39.772 38.000 -0.127 0.000 1.205 882 I HN 0.971 nan 8.210 nan 0.000 0.459 883 G N 5.855 114.398 108.800 -0.428 0.000 2.677 883 G HA2 0.745 4.721 3.960 0.027 0.000 0.283 883 G HA3 0.745 4.721 3.960 0.027 0.000 0.283 883 G C -1.650 173.106 174.900 -0.239 0.000 1.221 883 G CA -0.532 44.356 45.100 -0.353 0.000 0.851 883 G HN 0.269 nan 8.290 nan 0.000 0.504 884 L N 0.781 121.904 121.223 -0.165 0.000 2.327 884 L HA 0.637 4.993 4.340 0.027 0.000 0.258 884 L C -0.827 175.955 176.870 -0.146 0.000 1.024 884 L CA -1.140 53.633 54.840 -0.112 0.000 0.825 884 L CB 2.562 44.642 42.059 0.036 0.000 1.386 884 L HN 0.808 nan 8.230 nan 0.000 0.417 885 N N 0.458 119.100 118.700 -0.097 0.000 2.525 885 N HA 0.734 5.491 4.740 0.027 0.000 0.270 885 N C -1.251 174.281 175.510 0.037 0.000 1.321 885 N CA -0.555 52.470 53.050 -0.042 0.000 0.797 885 N CB 2.334 40.808 38.487 -0.022 0.000 1.529 885 N HN 0.863 nan 8.380 nan 0.000 0.491 886 C N -1.409 117.937 119.300 0.077 0.000 3.292 886 C HA 0.585 5.061 4.460 0.027 0.000 0.338 886 C C -1.345 173.508 174.990 -0.228 0.000 1.323 886 C CA -0.848 58.165 59.018 -0.008 0.000 1.232 886 C CB 0.932 28.685 27.740 0.023 0.000 1.517 886 C HN 0.874 nan 8.230 nan 0.000 0.470 887 Q N 1.575 121.009 119.800 -0.609 0.000 2.368 887 Q HA 0.655 5.011 4.340 0.027 0.000 0.263 887 Q C -1.078 174.628 176.000 -0.490 0.000 1.009 887 Q CA -0.454 54.724 55.803 -1.043 0.000 0.818 887 Q CB 0.904 28.612 28.738 -1.717 0.000 1.239 887 Q HN 0.782 nan 8.270 nan 0.000 0.464 888 L N 2.559 123.608 121.223 -0.291 0.000 2.417 888 L HA 0.247 4.603 4.340 0.027 0.000 0.268 888 L C 1.243 178.056 176.870 -0.096 0.000 1.158 888 L CA -0.117 54.674 54.840 -0.081 0.000 0.819 888 L CB 0.801 42.930 42.059 0.116 0.000 1.112 888 L HN 0.822 nan 8.230 nan 0.000 0.458 889 A N 2.172 124.960 122.820 -0.053 0.000 2.066 889 A HA -0.099 4.237 4.320 0.027 0.000 0.218 889 A C 0.989 178.560 177.584 -0.021 0.000 1.157 889 A CA 0.707 52.702 52.037 -0.069 0.000 0.670 889 A CB -0.259 18.690 19.000 -0.086 0.000 0.804 889 A HN 0.812 nan 8.150 nan 0.000 0.453 890 Q N -0.368 119.460 119.800 0.047 0.000 2.227 890 Q HA 0.530 4.887 4.340 0.027 0.000 0.245 890 Q C -1.507 174.546 176.000 0.087 0.000 0.926 890 Q CA -0.476 55.349 55.803 0.036 0.000 0.895 890 Q CB 1.492 30.241 28.738 0.018 0.000 1.230 890 Q HN 0.065 nan 8.270 nan 0.000 0.450 891 V N 2.778 122.706 119.914 0.023 0.000 2.349 891 V HA 0.667 4.803 4.120 0.027 0.000 0.284 891 V C -0.500 175.572 176.094 -0.036 0.000 1.014 891 V CA -0.441 61.898 62.300 0.066 0.000 0.826 891 V CB 0.757 32.598 31.823 0.031 0.000 1.009 891 V HN 0.874 nan 8.190 nan 0.000 0.431 892 A N 3.527 126.270 122.820 -0.128 0.000 2.294 892 A HA 0.684 5.020 4.320 0.027 0.000 0.330 892 A C 0.881 178.461 177.584 -0.007 0.000 1.133 892 A CA -0.463 51.417 52.037 -0.261 0.000 0.836 892 A CB 0.927 19.497 19.000 -0.716 0.000 1.190 892 A HN 0.756 nan 8.150 nan 0.000 0.492 893 E N 0.175 120.365 120.200 -0.016 0.000 2.107 893 E HA -0.051 4.315 4.350 0.027 0.000 0.191 893 E C 0.084 176.746 176.600 0.103 0.000 0.982 893 E CA 0.787 57.214 56.400 0.045 0.000 0.809 893 E CB 0.111 29.822 29.700 0.018 0.000 0.756 893 E HN 0.417 nan 8.360 nan 0.000 0.459 894 R N 0.126 120.696 120.500 0.116 0.000 2.854 894 R HA 0.530 4.886 4.340 0.027 0.000 0.271 894 R C -0.570 175.904 176.300 0.289 0.000 0.996 894 R CA -0.974 55.229 56.100 0.173 0.000 0.961 894 R CB 1.767 32.141 30.300 0.123 0.000 1.182 894 R HN -0.186 nan 8.270 nan 0.000 0.479 895 V N 2.116 122.219 119.914 0.314 0.000 2.483 895 V HA 0.379 4.515 4.120 0.027 0.000 0.297 895 V C -0.328 176.038 176.094 0.454 0.000 1.027 895 V CA -0.907 61.615 62.300 0.371 0.000 0.855 895 V CB 1.820 33.802 31.823 0.266 0.000 0.995 895 V HN 0.627 nan 8.190 nan 0.000 0.424 896 N N 4.681 123.625 118.700 0.408 0.000 2.314 896 N HA 0.564 5.320 4.740 0.027 0.000 0.294 896 N C -1.359 174.413 175.510 0.436 0.000 1.029 896 N CA -0.411 52.856 53.050 0.362 0.000 0.845 896 N CB 2.765 41.357 38.487 0.175 0.000 1.321 896 N HN 0.801 nan 8.380 nan 0.000 0.481 897 W N 3.010 124.345 121.300 0.058 0.000 3.074 897 W HA 0.584 5.260 4.660 0.027 0.000 0.332 897 W C -2.152 174.329 176.519 -0.062 0.000 1.253 897 W CA -1.075 56.278 57.345 0.014 0.000 1.180 897 W CB 0.711 30.207 29.460 0.059 0.000 1.445 897 W HN 0.229 nan 8.180 nan 0.000 0.573 898 L N 3.744 124.934 121.223 -0.055 0.000 2.318 898 L HA 0.922 5.279 4.340 0.027 0.000 0.277 898 L C -0.016 176.674 176.870 -0.301 0.000 1.008 898 L CA 0.333 54.943 54.840 -0.383 0.000 0.846 898 L CB 0.799 42.708 42.059 -0.250 0.000 1.220 898 L HN 1.022 nan 8.230 nan 0.000 0.423 899 G N 3.723 112.193 108.800 -0.550 0.000 2.335 899 G HA2 0.221 4.197 3.960 0.027 0.000 0.291 899 G HA3 0.221 4.197 3.960 0.027 0.000 0.291 899 G C -1.649 173.261 174.900 0.015 0.000 1.261 899 G CA -1.022 43.988 45.100 -0.151 0.000 0.871 899 G HN 0.444 nan 8.290 nan 0.000 0.491 900 L N 0.858 122.240 121.223 0.265 0.000 2.397 900 L HA 0.635 4.991 4.340 0.027 0.000 0.271 900 L C 1.093 178.075 176.870 0.186 0.000 1.148 900 L CA 0.730 55.698 54.840 0.213 0.000 0.825 900 L CB 0.794 42.930 42.059 0.127 0.000 1.117 900 L HN 1.225 nan 8.230 nan 0.000 0.456 901 G N 2.167 110.871 108.800 -0.160 0.000 2.335 901 G HA2 0.197 4.173 3.960 0.027 0.000 0.291 901 G HA3 0.197 4.173 3.960 0.027 0.000 0.291 901 G C -2.739 171.377 174.900 -1.307 0.000 1.261 901 G CA -0.240 44.454 45.100 -0.675 0.000 0.871 901 G HN 0.325 nan 8.290 nan 0.000 0.491 902 P HA 0.069 nan 4.420 nan 0.000 0.227 902 P C 0.506 177.612 177.300 -0.324 0.000 1.161 902 P CA 0.685 63.145 63.100 -1.067 0.000 0.788 902 P CB 0.400 31.586 31.700 -0.857 0.000 0.822 903 Q N 0.472 120.076 119.800 -0.328 0.000 2.316 903 Q HA 0.142 4.498 4.340 0.027 0.000 0.215 903 Q C 0.411 176.300 176.000 -0.186 0.000 1.020 903 Q CA -0.612 55.074 55.803 -0.195 0.000 0.970 903 Q CB 0.573 29.211 28.738 -0.166 0.000 1.187 903 Q HN 0.138 nan 8.270 nan 0.000 0.546 904 E N 1.162 121.257 120.200 -0.174 0.000 2.502 904 E HA -0.101 4.265 4.350 0.027 0.000 0.261 904 E C -1.121 175.390 176.600 -0.148 0.000 0.974 904 E CA 0.254 56.536 56.400 -0.197 0.000 0.936 904 E CB 0.270 29.921 29.700 -0.083 0.000 0.926 904 E HN 0.593 nan 8.360 nan 0.000 0.459 905 N N 2.534 121.070 118.700 -0.273 0.000 2.367 905 N HA 0.325 5.081 4.740 0.027 0.000 0.278 905 N C -1.892 173.384 175.510 -0.389 0.000 1.117 905 N CA -0.670 52.275 53.050 -0.175 0.000 0.867 905 N CB 0.733 39.140 38.487 -0.134 0.000 1.649 905 N HN 0.252 nan 8.380 nan 0.000 0.479 906 Y N -0.092 120.111 120.300 -0.161 0.000 2.633 906 Y HA 0.510 5.076 4.550 0.027 0.000 0.339 906 Y C -1.675 174.138 175.900 -0.145 0.000 1.045 906 Y CA -2.067 55.922 58.100 -0.185 0.000 1.098 906 Y CB 1.854 40.201 38.460 -0.188 0.000 1.296 906 Y HN 0.435 nan 8.280 nan 0.000 0.494 907 P HA -0.192 nan 4.420 nan 0.000 0.216 907 P C 0.397 177.527 177.300 -0.283 0.000 1.154 907 P CA 2.235 65.338 63.100 0.005 0.000 0.865 907 P CB 0.199 32.005 31.700 0.177 0.000 0.789 908 D N -2.412 117.621 120.400 -0.610 0.000 2.342 908 D HA 0.016 4.672 4.640 0.027 0.000 0.221 908 D C 0.682 176.812 176.300 -0.283 0.000 1.101 908 D CA 0.047 53.475 54.000 -0.953 0.000 0.837 908 D CB -0.237 39.779 40.800 -1.307 0.000 0.938 908 D HN 0.120 nan 8.370 nan 0.000 0.508 909 R N 0.990 121.430 120.500 -0.099 0.000 2.640 909 R HA 0.178 4.535 4.340 0.027 0.000 0.240 909 R C -0.617 175.709 176.300 0.043 0.000 1.519 909 R CA -0.130 55.980 56.100 0.017 0.000 1.570 909 R CB 0.055 30.375 30.300 0.032 0.000 1.446 909 R HN 0.094 nan 8.270 nan 0.000 0.738 910 L N -2.028 119.225 121.223 0.051 0.000 3.298 910 L HA 0.352 4.708 4.340 0.027 0.000 0.296 910 L C 1.371 178.295 176.870 0.090 0.000 1.237 910 L CA 0.026 54.896 54.840 0.051 0.000 1.038 910 L CB 0.268 42.346 42.059 0.031 0.000 1.423 910 L HN 0.065 nan 8.230 nan 0.000 0.605 911 T N -2.681 111.954 114.554 0.135 0.000 2.867 911 T HA 0.025 4.392 4.350 0.027 0.000 0.268 911 T C 1.805 176.546 174.700 0.068 0.000 1.057 911 T CA 1.231 63.438 62.100 0.177 0.000 1.136 911 T CB -0.288 68.745 68.868 0.275 0.000 0.874 911 T HN 0.366 nan 8.240 nan 0.000 0.466 912 A N 1.671 124.534 122.820 0.072 0.000 2.066 912 A HA 0.629 4.965 4.320 0.027 0.000 0.218 912 A C 1.642 179.276 177.584 0.083 0.000 1.157 912 A CA 0.563 52.587 52.037 -0.022 0.000 0.670 912 A CB -0.996 18.152 19.000 0.246 0.000 0.804 912 A HN 0.845 nan 8.150 nan 0.000 0.453 913 A N -1.110 121.723 122.820 0.021 0.000 2.386 913 A HA 0.437 4.774 4.320 0.027 0.000 0.248 913 A C 0.030 177.631 177.584 0.028 0.000 1.082 913 A CA 0.006 52.023 52.037 -0.034 0.000 0.789 913 A CB -0.130 18.843 19.000 -0.044 0.000 1.025 913 A HN 0.506 nan 8.150 nan 0.000 0.490 914 C N 0.521 119.833 119.300 0.021 0.000 2.507 914 C HA 0.517 4.993 4.460 0.027 0.000 0.319 914 C C -0.122 174.993 174.990 0.209 0.000 1.208 914 C CA -0.501 58.599 59.018 0.137 0.000 1.619 914 C CB 0.689 28.530 27.740 0.169 0.000 2.230 914 C HN 0.782 nan 8.230 nan 0.000 0.492 915 F N 3.884 123.689 119.950 -0.241 0.000 2.471 915 F HA 0.436 4.979 4.527 0.027 0.000 0.365 915 F C 0.420 175.873 175.800 -0.579 0.000 1.095 915 F CA 1.277 58.952 58.000 -0.542 0.000 1.174 915 F CB -0.102 38.020 39.000 -1.464 0.000 1.105 915 F HN 0.629 nan 8.300 nan 0.000 0.535 916 D N 3.389 123.215 120.400 -0.956 0.000 2.865 916 D HA 0.187 4.843 4.640 0.027 0.000 0.343 916 D C -1.613 173.790 176.300 -1.496 0.000 1.372 916 D CA -0.750 52.540 54.000 -1.184 0.000 0.862 916 D CB 1.554 41.546 40.800 -1.346 0.000 1.425 916 D HN 0.453 nan 8.370 nan 0.000 0.501 917 R N 0.716 120.426 120.500 -1.318 0.000 2.207 917 R HA 0.506 4.862 4.340 0.027 0.000 0.334 917 R C -1.400 174.192 176.300 -1.180 0.000 1.013 917 R CA -0.238 55.260 56.100 -1.004 0.000 0.858 917 R CB 0.254 30.206 30.300 -0.579 0.000 1.094 917 R HN 0.276 nan 8.270 nan 0.000 0.457 918 W N 2.856 123.650 121.300 -0.843 0.000 2.689 918 W HA 0.411 5.087 4.660 0.027 0.000 0.340 918 W C -0.495 175.668 176.519 -0.593 0.000 1.060 918 W CA -0.748 56.048 57.345 -0.915 0.000 1.218 918 W CB 1.797 30.218 29.460 -1.731 0.000 1.410 918 W HN 0.378 nan 8.180 nan 0.000 0.528 919 D N 3.004 123.392 120.400 -0.019 0.000 2.763 919 D HA 0.429 5.085 4.640 0.027 0.000 0.235 919 D C -1.477 174.934 176.300 0.185 0.000 1.334 919 D CA -0.165 53.909 54.000 0.123 0.000 0.950 919 D CB 1.077 41.902 40.800 0.042 0.000 1.433 919 D HN 0.385 nan 8.370 nan 0.000 0.580 920 L N 3.178 124.584 121.223 0.304 0.000 2.350 920 L HA 0.589 4.945 4.340 0.027 0.000 0.260 920 L C -2.279 174.708 176.870 0.195 0.000 1.015 920 L CA -2.166 52.816 54.840 0.238 0.000 0.821 920 L CB 2.539 44.771 42.059 0.289 0.000 1.370 920 L HN 0.172 nan 8.230 nan 0.000 0.416 921 P HA 0.040 nan 4.420 nan 0.000 0.272 921 P C 0.604 177.980 177.300 0.127 0.000 1.223 921 P CA -0.406 62.765 63.100 0.119 0.000 0.784 921 P CB 1.085 32.835 31.700 0.084 0.000 0.923 922 L N 3.155 124.457 121.223 0.132 0.000 2.043 922 L HA -0.274 4.082 4.340 0.027 0.000 0.212 922 L C 2.339 179.255 176.870 0.077 0.000 1.075 922 L CA 2.830 57.738 54.840 0.113 0.000 0.752 922 L CB -1.417 40.726 42.059 0.139 0.000 0.891 922 L HN 0.467 nan 8.230 nan 0.000 0.432 923 S N -1.654 114.094 115.700 0.081 0.000 2.400 923 S HA -0.204 4.282 4.470 0.027 0.000 0.232 923 S C 1.636 176.307 174.600 0.118 0.000 1.025 923 S CA 1.232 59.495 58.200 0.105 0.000 0.993 923 S CB -0.871 62.387 63.200 0.096 0.000 0.808 923 S HN 0.530 nan 8.310 nan 0.000 0.478 924 D N 1.194 121.639 120.400 0.075 0.000 2.378 924 D HA 0.067 4.723 4.640 0.027 0.000 0.222 924 D C 1.243 177.546 176.300 0.006 0.000 0.980 924 D CA 0.631 54.654 54.000 0.038 0.000 0.907 924 D CB -0.182 40.648 40.800 0.050 0.000 0.899 924 D HN 0.398 nan 8.370 nan 0.000 0.527 925 M N -0.512 119.100 119.600 0.021 0.000 2.563 925 M HA 0.058 4.554 4.480 0.027 0.000 0.231 925 M C -0.031 176.266 176.300 -0.005 0.000 1.136 925 M CA -0.001 55.264 55.300 -0.057 0.000 1.026 925 M CB -0.757 31.792 32.600 -0.086 0.000 1.597 925 M HN -0.040 nan 8.290 nan 0.000 0.495 926 Y N 0.088 120.347 120.300 -0.068 0.000 2.376 926 Y HA 0.487 5.054 4.550 0.027 0.000 0.340 926 Y C -0.752 175.107 175.900 -0.068 0.000 0.965 926 Y CA -0.973 57.108 58.100 -0.032 0.000 1.078 926 Y CB 1.308 39.806 38.460 0.063 0.000 1.193 926 Y HN -0.138 nan 8.280 nan 0.000 0.452 927 T N 9.206 123.329 114.554 -0.718 0.000 2.770 927 T HA 0.271 4.637 4.350 0.027 0.000 0.297 927 T C -2.644 171.335 174.700 -1.201 0.000 0.997 927 T CA -1.462 60.143 62.100 -0.825 0.000 0.949 927 T CB 0.953 69.389 68.868 -0.720 0.000 0.941 927 T HN 0.464 nan 8.240 nan 0.000 0.457 928 P HA 0.091 nan 4.420 nan 0.000 0.225 928 P C -0.598 176.589 177.300 -0.189 0.000 1.768 928 P CA -0.401 62.278 63.100 -0.702 0.000 0.943 928 P CB -0.703 30.761 31.700 -0.393 0.000 1.936 929 Y N -0.264 119.989 120.300 -0.078 0.000 2.712 929 Y HA -0.114 4.453 4.550 0.027 0.000 0.333 929 Y C 2.325 178.288 175.900 0.105 0.000 1.225 929 Y CA -0.419 57.694 58.100 0.022 0.000 1.499 929 Y CB 0.430 38.816 38.460 -0.124 0.000 1.288 929 Y HN -0.079 nan 8.280 nan 0.000 0.575 930 V N 3.394 123.545 119.914 0.395 0.000 2.324 930 V HA -0.318 3.818 4.120 0.027 0.000 0.250 930 V C 0.553 176.829 176.094 0.303 0.000 1.060 930 V CA 1.543 64.053 62.300 0.350 0.000 1.042 930 V CB -0.565 31.498 31.823 0.400 0.000 0.650 930 V HN 0.590 nan 8.190 nan 0.000 0.450 931 F N 2.999 123.022 119.950 0.123 0.000 2.371 931 F HA 0.521 5.064 4.527 0.027 0.000 0.363 931 F C -2.553 173.276 175.800 0.048 0.000 1.122 931 F CA -3.375 54.647 58.000 0.037 0.000 1.129 931 F CB 0.885 39.806 39.000 -0.131 0.000 1.173 931 F HN -0.014 nan 8.300 nan 0.000 0.489 932 P HA 0.328 nan 4.420 nan 0.000 0.275 932 P C -1.121 175.867 177.300 -0.521 0.000 1.228 932 P CA -0.054 62.803 63.100 -0.405 0.000 0.786 932 P CB 1.465 32.975 31.700 -0.317 0.000 0.927 933 S N -0.000 115.581 115.700 -0.198 0.000 2.703 933 S HA 0.438 4.924 4.470 0.027 0.000 0.273 933 S C -0.832 173.757 174.600 -0.018 0.000 1.178 933 S CA -0.948 57.175 58.200 -0.129 0.000 0.838 933 S CB 0.331 63.477 63.200 -0.090 0.000 1.178 933 S HN 0.332 nan 8.310 nan 0.000 0.494 934 E N 1.176 121.376 120.200 0.000 0.000 2.502 934 E HA 0.347 4.713 4.350 0.027 0.000 0.261 934 E C -0.177 176.474 176.600 0.084 0.000 0.974 934 E CA 0.854 57.283 56.400 0.048 0.000 0.936 934 E CB -0.270 29.482 29.700 0.086 0.000 0.926 934 E HN 0.795 nan 8.360 nan 0.000 0.459 935 N N 1.504 120.292 118.700 0.147 0.000 3.046 935 N HA 0.474 5.230 4.740 0.027 0.000 0.243 935 N C 0.211 175.780 175.510 0.098 0.000 1.452 935 N CA -0.576 52.600 53.050 0.210 0.000 0.882 935 N CB 0.846 39.456 38.487 0.204 0.000 1.425 935 N HN 0.718 nan 8.380 nan 0.000 0.517 936 G N -1.316 107.506 108.800 0.037 0.000 2.189 936 G HA2 -0.274 3.702 3.960 0.027 0.000 0.267 936 G HA3 -0.274 3.702 3.960 0.027 0.000 0.267 936 G C -0.169 174.476 174.900 -0.424 0.000 0.975 936 G CA 0.489 45.486 45.100 -0.170 0.000 0.644 936 G HN 0.710 nan 8.290 nan 0.000 0.537 937 L N 0.017 120.905 121.223 -0.558 0.000 2.499 937 L HA 0.653 5.009 4.340 0.027 0.000 0.281 937 L C 0.690 176.972 176.870 -0.980 0.000 1.234 937 L CA 0.471 54.738 54.840 -0.956 0.000 0.839 937 L CB 0.546 41.663 42.059 -1.570 0.000 1.104 937 L HN 0.262 nan 8.230 nan 0.000 0.500 938 R N 2.285 122.127 120.500 -1.095 0.000 2.532 938 R HA 0.487 4.843 4.340 0.027 0.000 0.297 938 R C -1.033 174.905 176.300 -0.603 0.000 0.984 938 R CA -0.280 55.300 56.100 -0.866 0.000 0.884 938 R CB 1.327 30.942 30.300 -1.143 0.000 1.182 938 R HN 0.724 nan 8.270 nan 0.000 0.442 939 C N 0.515 119.617 119.300 -0.330 0.000 2.352 939 C HA 0.691 5.167 4.460 0.027 0.000 0.387 939 C C 1.310 176.281 174.990 -0.032 0.000 1.294 939 C CA -0.088 58.821 59.018 -0.182 0.000 2.137 939 C CB 1.248 28.905 27.740 -0.137 0.000 2.146 939 C HN 1.030 nan 8.230 nan 0.000 0.559 940 G N 1.842 110.635 108.800 -0.012 0.000 2.390 940 G HA2 -0.187 3.789 3.960 0.027 0.000 0.299 940 G HA3 -0.187 3.789 3.960 0.027 0.000 0.299 940 G C -0.046 174.919 174.900 0.107 0.000 1.002 940 G CA 0.617 45.760 45.100 0.072 0.000 0.979 940 G HN 0.813 nan 8.290 nan 0.000 0.513 941 T N -0.050 114.427 114.554 -0.128 0.000 2.806 941 T HA 0.526 4.892 4.350 0.027 0.000 0.290 941 T C 1.281 175.651 174.700 -0.550 0.000 0.966 941 T CA -0.616 61.344 62.100 -0.232 0.000 1.060 941 T CB 1.480 70.246 68.868 -0.169 0.000 0.927 941 T HN 0.212 nan 8.240 nan 0.000 0.485 942 R N 1.371 121.778 120.500 -0.155 0.000 2.307 942 R HA 0.301 4.657 4.340 0.027 0.000 0.200 942 R C 0.441 176.787 176.300 0.075 0.000 0.893 942 R CA 0.159 56.237 56.100 -0.035 0.000 1.042 942 R CB 0.391 30.808 30.300 0.195 0.000 1.059 942 R HN 0.702 nan 8.270 nan 0.000 0.530 943 E N 0.473 120.722 120.200 0.082 0.000 2.321 943 E HA 0.349 4.716 4.350 0.027 0.000 0.281 943 E C -1.869 174.883 176.600 0.253 0.000 0.910 943 E CA -0.666 55.865 56.400 0.219 0.000 0.770 943 E CB 1.449 31.234 29.700 0.142 0.000 1.225 943 E HN -0.107 nan 8.360 nan 0.000 0.417 944 L N 4.108 125.533 121.223 0.336 0.000 2.436 944 L HA 0.591 4.947 4.340 0.027 0.000 0.268 944 L C -1.889 175.180 176.870 0.331 0.000 0.974 944 L CA -0.426 54.544 54.840 0.216 0.000 0.826 944 L CB 1.816 43.849 42.059 -0.043 0.000 1.291 944 L HN 0.491 nan 8.230 nan 0.000 0.406 945 N N 4.336 123.203 118.700 0.278 0.000 2.314 945 N HA 0.475 5.231 4.740 0.027 0.000 0.294 945 N C -1.990 173.756 175.510 0.394 0.000 1.029 945 N CA -0.267 52.954 53.050 0.284 0.000 0.845 945 N CB 2.352 40.941 38.487 0.171 0.000 1.321 945 N HN 0.615 nan 8.380 nan 0.000 0.481 946 Y N 0.865 121.318 120.300 0.256 0.000 2.313 946 Y HA 0.379 4.945 4.550 0.027 0.000 0.320 946 Y C 0.563 176.566 175.900 0.172 0.000 1.171 946 Y CA 0.187 58.431 58.100 0.240 0.000 1.093 946 Y CB 0.565 39.233 38.460 0.346 0.000 1.224 946 Y HN 0.842 nan 8.280 nan 0.000 0.421 947 G N 6.438 115.039 108.800 -0.330 0.000 2.611 947 G HA2 -0.306 3.670 3.960 0.027 0.000 0.301 947 G HA3 -0.306 3.670 3.960 0.027 0.000 0.301 947 G C -1.661 173.091 174.900 -0.247 0.000 1.233 947 G CA 0.169 45.062 45.100 -0.346 0.000 0.993 947 G HN 0.621 nan 8.290 nan 0.000 0.553 948 P HA 0.127 nan 4.420 nan 0.000 0.245 948 P C 0.222 177.261 177.300 -0.436 0.000 1.206 948 P CA 0.790 63.651 63.100 -0.398 0.000 0.781 948 P CB 0.012 31.406 31.700 -0.509 0.000 0.994 949 H N 0.442 119.430 119.070 -0.136 0.000 2.481 949 H HA 0.467 5.039 4.556 0.027 0.000 0.339 949 H C -0.028 174.991 175.328 -0.514 0.000 1.131 949 H CA 0.021 55.824 56.048 -0.410 0.000 1.301 949 H CB 1.474 30.709 29.762 -0.879 0.000 1.476 949 H HN 0.089 nan 8.280 nan 0.000 0.529 950 Q N 2.379 121.878 119.800 -0.501 0.000 2.305 950 Q HA 0.254 4.610 4.340 0.027 0.000 0.271 950 Q C -1.643 174.130 176.000 -0.378 0.000 1.046 950 Q CA -0.676 54.974 55.803 -0.255 0.000 0.798 950 Q CB 2.072 30.787 28.738 -0.037 0.000 1.286 950 Q HN 0.582 nan 8.270 nan 0.000 0.435 951 W N 3.778 125.038 121.300 -0.066 0.000 2.785 951 W HA 0.576 5.252 4.660 0.027 0.000 0.333 951 W C -0.267 176.325 176.519 0.122 0.000 1.062 951 W CA -0.750 56.521 57.345 -0.124 0.000 1.233 951 W CB 2.063 31.235 29.460 -0.479 0.000 1.413 951 W HN 0.512 nan 8.180 nan 0.000 0.489 952 R N 0.721 121.453 120.500 0.387 0.000 2.750 952 R HA 0.792 5.149 4.340 0.027 0.000 0.281 952 R C 0.202 176.795 176.300 0.489 0.000 0.972 952 R CA -0.478 55.880 56.100 0.430 0.000 0.912 952 R CB 2.390 32.851 30.300 0.269 0.000 1.187 952 R HN 0.763 nan 8.270 nan 0.000 0.464 953 G N 0.684 109.777 108.800 0.489 0.000 2.591 953 G HA2 -0.011 3.966 3.960 0.027 0.000 0.104 953 G HA3 -0.011 3.966 3.960 0.027 0.000 0.104 953 G C -1.736 173.323 174.900 0.264 0.000 1.097 953 G CA -0.311 45.041 45.100 0.419 0.000 1.076 953 G HN 0.501 nan 8.290 nan 0.000 0.485 954 D N -0.040 120.516 120.400 0.260 0.000 2.527 954 D HA 0.566 5.222 4.640 0.027 0.000 0.242 954 D C -0.697 175.629 176.300 0.043 0.000 1.285 954 D CA -0.450 53.576 54.000 0.043 0.000 0.886 954 D CB 0.056 40.911 40.800 0.092 0.000 1.402 954 D HN 0.572 nan 8.370 nan 0.000 0.528 955 F N -0.329 119.622 119.950 0.001 0.000 2.726 955 F HA 0.744 5.288 4.527 0.027 0.000 0.324 955 F C -0.977 174.787 175.800 -0.060 0.000 1.140 955 F CA -1.014 56.924 58.000 -0.104 0.000 0.964 955 F CB 0.740 39.683 39.000 -0.095 0.000 1.399 955 F HN -0.151 nan 8.300 nan 0.000 0.491 956 Q N 1.456 121.349 119.800 0.156 0.000 2.348 956 Q HA 0.659 5.015 4.340 0.027 0.000 0.271 956 Q C -1.291 174.790 176.000 0.135 0.000 1.067 956 Q CA -0.538 55.262 55.803 -0.006 0.000 0.839 956 Q CB 2.758 31.381 28.738 -0.192 0.000 1.354 956 Q HN 0.877 nan 8.270 nan 0.000 0.447 957 F N -1.221 118.623 119.950 -0.177 0.000 2.686 957 F HA 0.745 5.289 4.527 0.027 0.000 0.311 957 F C -1.604 173.982 175.800 -0.357 0.000 1.128 957 F CA -1.094 56.755 58.000 -0.251 0.000 0.946 957 F CB 1.579 40.441 39.000 -0.229 0.000 1.336 957 F HN 0.592 nan 8.300 nan 0.000 0.457 958 N N 1.330 119.846 118.700 -0.307 0.000 2.329 958 N HA 0.726 5.482 4.740 0.027 0.000 0.282 958 N C -2.132 173.311 175.510 -0.111 0.000 1.198 958 N CA -0.741 52.110 53.050 -0.333 0.000 0.790 958 N CB 2.642 40.949 38.487 -0.300 0.000 1.579 958 N HN 1.130 nan 8.380 nan 0.000 0.475 959 I N 0.527 121.024 120.570 -0.122 0.000 2.649 959 I HA 0.671 4.857 4.170 0.027 0.000 0.289 959 I C -1.449 174.578 176.117 -0.150 0.000 1.222 959 I CA 0.061 61.258 61.300 -0.172 0.000 1.046 959 I CB 1.278 39.116 38.000 -0.270 0.000 1.272 959 I HN 1.042 nan 8.210 nan 0.000 0.425 960 S N 6.207 121.828 115.700 -0.131 0.000 2.661 960 S HA 0.527 5.013 4.470 0.027 0.000 0.268 960 S C -0.191 174.281 174.600 -0.213 0.000 1.162 960 S CA -0.986 57.122 58.200 -0.154 0.000 0.817 960 S CB 1.776 64.935 63.200 -0.068 0.000 1.141 960 S HN 0.620 nan 8.310 nan 0.000 0.477 961 R N -0.100 120.093 120.500 -0.510 0.000 2.335 961 R HA 0.240 4.596 4.340 0.027 0.000 0.223 961 R C -0.882 175.087 176.300 -0.552 0.000 0.940 961 R CA 0.298 56.096 56.100 -0.503 0.000 1.086 961 R CB -0.920 28.990 30.300 -0.650 0.000 1.073 961 R HN 0.660 nan 8.270 nan 0.000 0.504 962 Y N 0.089 120.362 120.300 -0.046 0.000 2.350 962 Y HA 0.226 4.793 4.550 0.027 0.000 0.338 962 Y C 0.763 176.489 175.900 -0.290 0.000 0.961 962 Y CA -1.154 56.845 58.100 -0.167 0.000 1.100 962 Y CB 1.373 39.673 38.460 -0.267 0.000 1.179 962 Y HN -0.106 nan 8.280 nan 0.000 0.454 963 S N 1.533 116.944 115.700 -0.482 0.000 2.614 963 S HA 0.058 4.544 4.470 0.027 0.000 0.265 963 S C 0.925 175.212 174.600 -0.522 0.000 1.303 963 S CA -0.719 56.832 58.200 -1.082 0.000 1.000 963 S CB 1.174 63.449 63.200 -1.541 0.000 0.935 963 S HN 0.729 nan 8.310 nan 0.000 0.551 964 Q N 0.731 120.224 119.800 -0.511 0.000 2.135 964 Q HA -0.209 4.147 4.340 0.027 0.000 0.204 964 Q C 2.220 178.080 176.000 -0.233 0.000 0.981 964 Q CA 2.009 57.647 55.803 -0.276 0.000 0.856 964 Q CB -0.626 27.979 28.738 -0.222 0.000 0.902 964 Q HN 0.975 nan 8.270 nan 0.000 0.425 965 Q N 0.454 120.076 119.800 -0.297 0.000 2.050 965 Q HA -0.221 4.135 4.340 0.027 0.000 0.202 965 Q C 2.142 178.042 176.000 -0.167 0.000 0.980 965 Q CA 1.645 57.335 55.803 -0.189 0.000 0.840 965 Q CB 0.007 28.638 28.738 -0.178 0.000 0.898 965 Q HN 0.423 nan 8.270 nan 0.000 0.424 966 Q N 0.043 119.717 119.800 -0.210 0.000 2.050 966 Q HA -0.179 4.177 4.340 0.027 0.000 0.202 966 Q C 2.187 178.073 176.000 -0.189 0.000 0.980 966 Q CA 1.510 57.203 55.803 -0.182 0.000 0.840 966 Q CB -0.119 28.490 28.738 -0.215 0.000 0.898 966 Q HN 0.492 nan 8.270 nan 0.000 0.424 967 L N 0.660 121.766 121.223 -0.195 0.000 2.079 967 L HA -0.217 4.139 4.340 0.027 0.000 0.210 967 L C 2.708 179.464 176.870 -0.190 0.000 1.081 967 L CA 1.548 56.270 54.840 -0.197 0.000 0.752 967 L CB -0.575 41.398 42.059 -0.143 0.000 0.896 967 L HN 0.479 nan 8.230 nan 0.000 0.433 968 M N -1.650 117.864 119.600 -0.143 0.000 2.562 968 M HA -0.063 4.434 4.480 0.027 0.000 0.257 968 M C 1.234 177.474 176.300 -0.099 0.000 1.099 968 M CA 1.528 56.759 55.300 -0.115 0.000 1.099 968 M CB -0.355 32.188 32.600 -0.094 0.000 1.427 968 M HN 0.140 nan 8.290 nan 0.000 0.489 969 E N 0.930 121.068 120.200 -0.103 0.000 2.474 969 E HA 0.123 4.489 4.350 0.027 0.000 0.195 969 E C -0.346 176.217 176.600 -0.061 0.000 1.039 969 E CA 0.091 56.452 56.400 -0.065 0.000 0.881 969 E CB 0.586 30.253 29.700 -0.055 0.000 0.970 969 E HN 0.384 nan 8.360 nan 0.000 0.486 970 T N 0.133 114.620 114.554 -0.112 0.000 2.794 970 T HA 0.122 4.488 4.350 0.027 0.000 0.280 970 T C 1.065 175.701 174.700 -0.108 0.000 0.987 970 T CA -0.478 61.555 62.100 -0.112 0.000 0.993 970 T CB 1.717 70.475 68.868 -0.182 0.000 0.939 970 T HN 0.035 nan 8.240 nan 0.000 0.449 971 S N 1.766 117.510 115.700 0.073 0.000 2.470 971 S HA 0.091 4.577 4.470 0.027 0.000 0.222 971 S C 0.254 175.006 174.600 0.254 0.000 1.024 971 S CA 0.237 58.613 58.200 0.294 0.000 0.931 971 S CB -0.196 63.302 63.200 0.497 0.000 0.791 971 S HN 0.731 nan 8.310 nan 0.000 0.513 972 H N 0.812 119.917 119.070 0.058 0.000 2.679 972 H HA 0.514 5.086 4.556 0.027 0.000 0.360 972 H C 0.985 176.291 175.328 -0.036 0.000 1.105 972 H CA -0.769 55.347 56.048 0.113 0.000 1.196 972 H CB 1.503 31.337 29.762 0.119 0.000 1.636 972 H HN 0.152 nan 8.280 nan 0.000 0.531 973 R N 2.070 122.676 120.500 0.177 0.000 2.117 973 R HA -0.203 4.154 4.340 0.027 0.000 0.243 973 R C 1.265 177.576 176.300 0.018 0.000 1.143 973 R CA 2.006 58.147 56.100 0.069 0.000 0.968 973 R CB -0.552 29.831 30.300 0.139 0.000 0.863 973 R HN 0.794 nan 8.270 nan 0.000 0.444 974 H N 1.268 120.345 119.070 0.011 0.000 2.518 974 H HA -0.015 4.557 4.556 0.027 0.000 0.289 974 H C 1.511 176.764 175.328 -0.125 0.000 1.051 974 H CA 1.011 57.026 56.048 -0.056 0.000 1.280 974 H CB -0.239 29.482 29.762 -0.069 0.000 1.380 974 H HN 0.339 nan 8.280 nan 0.000 0.566 975 L N 0.865 121.709 121.223 -0.632 0.000 2.592 975 L HA 0.221 4.577 4.340 0.027 0.000 0.227 975 L C 0.723 177.443 176.870 -0.251 0.000 1.127 975 L CA -0.189 54.356 54.840 -0.492 0.000 0.884 975 L CB 0.078 41.816 42.059 -0.535 0.000 1.065 975 L HN 0.026 nan 8.230 nan 0.000 0.457 976 L N 1.052 122.117 121.223 -0.263 0.000 2.439 976 L HA 0.149 4.505 4.340 0.027 0.000 0.269 976 L C 0.198 177.002 176.870 -0.111 0.000 1.179 976 L CA -0.001 54.641 54.840 -0.331 0.000 0.828 976 L CB 0.356 41.986 42.059 -0.716 0.000 1.106 976 L HN 0.237 nan 8.230 nan 0.000 0.467 977 H N 1.621 120.697 119.070 0.010 0.000 2.679 977 H HA 0.595 5.167 4.556 0.027 0.000 0.360 977 H C -0.907 174.558 175.328 0.228 0.000 1.105 977 H CA -1.233 54.873 56.048 0.096 0.000 1.196 977 H CB 1.393 31.169 29.762 0.024 0.000 1.636 977 H HN 0.672 nan 8.280 nan 0.000 0.531 978 A N 3.452 126.426 122.820 0.257 0.000 2.511 978 A HA 0.132 4.468 4.320 0.027 0.000 0.242 978 A C 0.283 177.955 177.584 0.148 0.000 1.069 978 A CA -0.208 51.845 52.037 0.027 0.000 0.763 978 A CB 0.044 19.012 19.000 -0.053 0.000 1.001 978 A HN 0.842 nan 8.150 nan 0.000 0.498 979 E N 0.762 121.000 120.200 0.064 0.000 2.292 979 E HA 0.235 4.601 4.350 0.027 0.000 0.258 979 E C -0.139 176.503 176.600 0.071 0.000 1.115 979 E CA -0.742 55.761 56.400 0.173 0.000 0.929 979 E CB 0.781 30.647 29.700 0.277 0.000 1.161 979 E HN 0.794 nan 8.360 nan 0.000 0.453 980 E N 0.409 120.645 120.200 0.060 0.000 2.415 980 E HA 0.196 4.562 4.350 0.027 0.000 0.263 980 E C 0.270 176.822 176.600 -0.080 0.000 0.995 980 E CA 0.604 56.998 56.400 -0.011 0.000 0.915 980 E CB 0.235 29.925 29.700 -0.018 0.000 0.951 980 E HN 0.670 nan 8.360 nan 0.000 0.449 981 G N 3.092 111.848 108.800 -0.073 0.000 2.584 981 G HA2 -0.214 3.762 3.960 0.027 0.000 0.229 981 G HA3 -0.214 3.762 3.960 0.027 0.000 0.229 981 G C -0.664 174.169 174.900 -0.112 0.000 1.320 981 G CA -0.195 44.841 45.100 -0.107 0.000 0.891 981 G HN 0.644 nan 8.290 nan 0.000 0.573 982 T N 0.170 114.629 114.554 -0.158 0.000 2.937 982 T HA 0.495 4.862 4.350 0.027 0.000 0.297 982 T C -0.869 173.690 174.700 -0.236 0.000 0.991 982 T CA -0.185 61.835 62.100 -0.133 0.000 0.990 982 T CB 1.267 70.132 68.868 -0.006 0.000 0.991 982 T HN 0.584 nan 8.240 nan 0.000 0.440 983 W N 3.290 124.491 121.300 -0.165 0.000 2.322 983 W HA 0.595 5.272 4.660 0.027 0.000 0.307 983 W C -0.280 176.102 176.519 -0.229 0.000 1.220 983 W CA -0.750 56.496 57.345 -0.165 0.000 1.210 983 W CB 0.787 30.162 29.460 -0.142 0.000 1.223 983 W HN 0.344 nan 8.180 nan 0.000 0.511 984 L N 5.928 127.142 121.223 -0.015 0.000 2.305 984 L HA 0.474 4.830 4.340 0.027 0.000 0.284 984 L C -0.902 175.868 176.870 -0.167 0.000 1.013 984 L CA -0.713 53.995 54.840 -0.220 0.000 0.819 984 L CB 0.645 42.447 42.059 -0.428 0.000 1.227 984 L HN 0.335 nan 8.230 nan 0.000 0.417 985 N N 7.093 125.686 118.700 -0.178 0.000 2.446 985 N HA 0.443 5.199 4.740 0.027 0.000 0.265 985 N C -1.096 174.276 175.510 -0.230 0.000 0.975 985 N CA -0.274 52.672 53.050 -0.174 0.000 0.928 985 N CB 2.172 40.580 38.487 -0.132 0.000 1.160 985 N HN 0.547 nan 8.380 nan 0.000 0.495 986 I N 1.977 122.369 120.570 -0.297 0.000 2.382 986 I HA 0.242 4.428 4.170 0.027 0.000 0.286 986 I C -0.632 175.311 176.117 -0.290 0.000 1.002 986 I CA -0.586 60.508 61.300 -0.344 0.000 1.135 986 I CB 1.546 39.185 38.000 -0.602 0.000 1.288 986 I HN 0.184 nan 8.210 nan 0.000 0.448 987 D N 4.482 124.745 120.400 -0.229 0.000 2.256 987 D HA 0.290 4.946 4.640 0.027 0.000 0.246 987 D C 0.916 176.939 176.300 -0.462 0.000 1.042 987 D CA -0.288 53.511 54.000 -0.334 0.000 0.841 987 D CB 2.524 43.223 40.800 -0.168 0.000 1.223 987 D HN 0.682 nan 8.370 nan 0.000 0.470 988 G N 0.902 109.138 108.800 -0.939 0.000 2.408 988 G HA2 -0.003 3.973 3.960 0.027 0.000 0.215 988 G HA3 -0.003 3.973 3.960 0.027 0.000 0.215 988 G C 0.084 174.204 174.900 -1.300 0.000 1.156 988 G CA 0.550 44.962 45.100 -1.146 0.000 0.793 988 G HN 0.363 nan 8.290 nan 0.000 0.535 989 F N -1.861 117.906 119.950 -0.305 0.000 2.588 989 F HA 0.635 5.178 4.527 0.027 0.000 0.310 989 F C -0.505 175.201 175.800 -0.157 0.000 1.082 989 F CA -1.204 56.689 58.000 -0.179 0.000 0.929 989 F CB 2.140 40.965 39.000 -0.291 0.000 1.254 989 F HN 0.037 nan 8.300 nan 0.000 0.455 990 H N 1.764 120.842 119.070 0.014 0.000 2.865 990 H HA 0.525 5.098 4.556 0.027 0.000 0.362 990 H C -0.898 174.455 175.328 0.041 0.000 1.114 990 H CA -0.874 55.159 56.048 -0.025 0.000 1.208 990 H CB 1.896 31.631 29.762 -0.046 0.000 1.727 990 H HN 0.780 nan 8.280 nan 0.000 0.534 991 M N 3.344 122.917 119.600 -0.045 0.000 2.240 991 M HA 0.325 4.821 4.480 0.027 0.000 0.333 991 M C 0.399 176.813 176.300 0.189 0.000 1.110 991 M CA 0.144 55.475 55.300 0.051 0.000 1.173 991 M CB 0.435 32.976 32.600 -0.099 0.000 1.458 991 M HN 0.825 nan 8.290 nan 0.000 0.458 992 G N 2.773 111.658 108.800 0.142 0.000 2.667 992 G HA2 0.278 4.255 3.960 0.027 0.000 0.250 992 G HA3 0.278 4.255 3.960 0.027 0.000 0.250 992 G C 0.628 175.508 174.900 -0.034 0.000 1.212 992 G CA -0.433 44.680 45.100 0.021 0.000 0.874 992 G HN 0.982 nan 8.290 nan 0.000 0.561 993 I N -1.479 119.024 120.570 -0.111 0.000 3.427 993 I HA 0.376 4.562 4.170 0.027 0.000 0.288 993 I C 1.256 177.313 176.117 -0.101 0.000 1.249 993 I CA 0.496 61.699 61.300 -0.162 0.000 1.421 993 I CB -0.611 37.194 38.000 -0.326 0.000 1.086 993 I HN 0.918 nan 8.210 nan 0.000 0.448 994 G N 1.650 110.413 108.800 -0.061 0.000 2.601 994 G HA2 -0.007 3.969 3.960 0.027 0.000 0.252 994 G HA3 -0.007 3.969 3.960 0.027 0.000 0.252 994 G C 0.625 175.532 174.900 0.012 0.000 1.294 994 G CA 0.206 45.309 45.100 0.005 0.000 0.912 994 G HN 1.419 nan 8.290 nan 0.000 0.574 995 G N -2.381 106.438 108.800 0.032 0.000 2.273 995 G HA2 -0.019 3.957 3.960 0.027 0.000 0.162 995 G HA3 -0.019 3.957 3.960 0.027 0.000 0.162 995 G C 0.685 175.650 174.900 0.108 0.000 1.006 995 G CA 0.871 46.001 45.100 0.050 0.000 0.704 995 G HN 1.038 nan 8.290 nan 0.000 0.487 996 D N 1.256 121.740 120.400 0.140 0.000 2.172 996 D HA 0.063 4.719 4.640 0.027 0.000 0.196 996 D C 1.101 177.450 176.300 0.082 0.000 0.999 996 D CA 2.145 56.287 54.000 0.237 0.000 0.856 996 D CB 0.075 41.020 40.800 0.243 0.000 0.934 996 D HN 0.846 nan 8.370 nan 0.000 0.453 997 D N -3.421 116.820 120.400 -0.265 0.000 2.626 997 D HA 0.401 5.058 4.640 0.027 0.000 0.278 997 D C -0.699 175.151 176.300 -0.751 0.000 1.211 997 D CA -0.752 52.677 54.000 -0.951 0.000 0.903 997 D CB 1.095 40.745 40.800 -1.917 0.000 1.408 997 D HN -0.299 nan 8.370 nan 0.000 0.454 998 S N -0.669 114.434 115.700 -0.993 0.000 2.664 998 S HA 0.222 4.708 4.470 0.027 0.000 0.245 998 S C -0.645 173.934 174.600 -0.035 0.000 1.019 998 S CA -0.696 57.382 58.200 -0.204 0.000 0.996 998 S CB -0.468 62.894 63.200 0.271 0.000 0.878 998 S HN 0.629 nan 8.310 nan 0.000 0.493 999 W N 1.175 122.392 121.300 -0.139 0.000 2.007 999 W HA 0.589 5.264 4.660 0.026 0.000 0.301 999 W C -0.087 176.358 176.519 -0.125 0.000 0.887 999 W CA -0.579 56.666 57.345 -0.166 0.000 1.625 999 W CB -0.590 28.701 29.460 -0.281 0.000 1.078 999 W HN 0.149 nan 8.180 nan 0.000 0.502 1000 S N -1.389 114.191 115.700 -0.200 0.000 2.587 1000 S HA 0.638 5.124 4.470 0.027 0.000 0.269 1000 S C -3.166 171.372 174.600 -0.103 0.000 1.154 1000 S CA -1.582 56.546 58.200 -0.119 0.000 0.824 1000 S CB 1.474 64.621 63.200 -0.087 0.000 1.118 1000 S HN -0.208 nan 8.310 nan 0.000 0.462 1001 P HA 0.213 nan 4.420 nan 0.000 0.263 1001 P C 0.334 177.680 177.300 0.077 0.000 1.195 1001 P CA 0.057 63.169 63.100 0.020 0.000 0.762 1001 P CB 0.666 32.300 31.700 -0.109 0.000 0.799 1002 S N 0.726 116.514 115.700 0.147 0.000 2.900 1002 S HA 0.154 4.640 4.470 0.027 0.000 0.253 1002 S C 0.077 174.762 174.600 0.140 0.000 1.029 1002 S CA -0.328 57.927 58.200 0.091 0.000 1.096 1002 S CB -0.276 62.923 63.200 -0.002 0.000 1.067 1002 S HN 0.103 nan 8.310 nan 0.000 0.610 1003 V N 2.670 122.712 119.914 0.212 0.000 2.432 1003 V HA 0.438 4.574 4.120 0.027 0.000 0.271 1003 V C 0.778 177.013 176.094 0.235 0.000 1.046 1003 V CA -0.394 62.009 62.300 0.170 0.000 0.945 1003 V CB 0.989 32.823 31.823 0.018 0.000 0.992 1003 V HN 0.493 nan 8.190 nan 0.000 0.471 1004 S N 3.814 119.667 115.700 0.255 0.000 2.573 1004 S HA 0.286 4.772 4.470 0.027 0.000 0.277 1004 S C 1.597 176.322 174.600 0.210 0.000 1.346 1004 S CA 0.136 58.475 58.200 0.232 0.000 1.034 1004 S CB 1.105 64.465 63.200 0.268 0.000 0.879 1004 S HN 1.004 nan 8.310 nan 0.000 0.528 1005 A N 3.316 126.220 122.820 0.140 0.000 1.948 1005 A HA -0.166 4.171 4.320 0.027 0.000 0.220 1005 A C 2.006 179.608 177.584 0.030 0.000 1.177 1005 A CA 1.938 54.043 52.037 0.114 0.000 0.636 1005 A CB -0.679 18.369 19.000 0.079 0.000 0.815 1005 A HN 0.949 nan 8.150 nan 0.000 0.449 1006 E N -0.850 119.294 120.200 -0.094 0.000 2.409 1006 E HA -0.118 4.248 4.350 0.027 0.000 0.198 1006 E C 0.738 177.073 176.600 -0.441 0.000 1.024 1006 E CA 0.756 56.973 56.400 -0.306 0.000 0.861 1006 E CB -0.465 28.953 29.700 -0.471 0.000 0.788 1006 E HN 0.687 nan 8.360 nan 0.000 0.521 1007 F N 1.107 121.102 119.950 0.075 0.000 2.639 1007 F HA 0.281 4.824 4.527 0.026 0.000 0.302 1007 F C 0.805 176.632 175.800 0.046 0.000 1.097 1007 F CA -0.539 57.505 58.000 0.072 0.000 1.294 1007 F CB 0.537 39.579 39.000 0.070 0.000 1.027 1007 F HN -0.196 nan 8.300 nan 0.000 0.550 1008 Q N 1.109 121.000 119.800 0.152 0.000 2.230 1008 Q HA 0.403 4.759 4.340 0.027 0.000 0.248 1008 Q C -0.173 175.865 176.000 0.063 0.000 0.915 1008 Q CA -0.482 55.387 55.803 0.110 0.000 0.900 1008 Q CB 1.830 30.717 28.738 0.247 0.000 1.229 1008 Q HN 0.257 nan 8.270 nan 0.000 0.439 1009 L N 2.536 123.788 121.223 0.049 0.000 2.399 1009 L HA 0.119 4.475 4.340 0.027 0.000 0.257 1009 L C 0.525 177.380 176.870 -0.025 0.000 1.236 1009 L CA -0.038 54.822 54.840 0.034 0.000 1.144 1009 L CB -0.244 41.730 42.059 -0.143 0.000 1.379 1009 L HN 0.701 nan 8.230 nan 0.000 0.414 1010 S N -1.217 114.357 115.700 -0.210 0.000 2.568 1010 S HA 0.144 4.630 4.470 0.027 0.000 0.232 1010 S C 1.587 176.090 174.600 -0.163 0.000 0.975 1010 S CA 0.159 58.014 58.200 -0.576 0.000 0.949 1010 S CB 0.732 63.445 63.200 -0.813 0.000 0.829 1010 S HN 0.505 nan 8.310 nan 0.000 0.479 1011 A N 1.331 124.111 122.820 -0.066 0.000 2.172 1011 A HA 0.465 4.801 4.320 0.027 0.000 0.216 1011 A C 2.058 179.484 177.584 -0.263 0.000 1.154 1011 A CA 1.094 52.964 52.037 -0.279 0.000 0.701 1011 A CB -1.224 17.389 19.000 -0.644 0.000 0.789 1011 A HN 1.443 nan 8.150 nan 0.000 0.465 1012 G N -1.159 107.591 108.800 -0.085 0.000 2.900 1012 G HA2 -0.297 3.679 3.960 0.027 0.000 0.223 1012 G HA3 -0.297 3.679 3.960 0.027 0.000 0.223 1012 G C 0.443 175.329 174.900 -0.023 0.000 1.293 1012 G CA 0.392 45.490 45.100 -0.004 0.000 0.792 1012 G HN 0.680 nan 8.290 nan 0.000 0.527 1013 R N -0.382 119.982 120.500 -0.226 0.000 2.513 1013 R HA 0.671 5.027 4.340 0.027 0.000 0.301 1013 R C -1.569 174.452 176.300 -0.465 0.000 0.968 1013 R CA -0.563 55.439 56.100 -0.165 0.000 0.872 1013 R CB 1.507 31.752 30.300 -0.092 0.000 1.177 1013 R HN 0.270 nan 8.270 nan 0.000 0.444 1014 Y N 0.605 120.868 120.300 -0.062 0.000 2.425 1014 Y HA 0.335 4.901 4.550 0.027 0.000 0.344 1014 Y C -0.324 175.676 175.900 0.167 0.000 0.969 1014 Y CA -0.804 57.201 58.100 -0.159 0.000 1.052 1014 Y CB 2.093 40.307 38.460 -0.410 0.000 1.215 1014 Y HN 0.577 nan 8.280 nan 0.000 0.451 1015 H N 3.179 122.464 119.070 0.358 0.000 2.600 1015 H HA 0.601 5.173 4.556 0.027 0.000 0.357 1015 H C -1.697 174.024 175.328 0.654 0.000 1.106 1015 H CA -0.898 55.387 56.048 0.394 0.000 1.193 1015 H CB 1.163 31.059 29.762 0.225 0.000 1.594 1015 H HN 0.590 nan 8.280 nan 0.000 0.526 1016 Y N 1.711 121.915 120.300 -0.160 0.000 2.597 1016 Y HA 0.410 4.976 4.550 0.027 0.000 0.340 1016 Y C -1.925 173.812 175.900 -0.273 0.000 1.097 1016 Y CA -1.156 56.890 58.100 -0.089 0.000 1.037 1016 Y CB 1.433 39.938 38.460 0.074 0.000 1.305 1016 Y HN 0.747 nan 8.280 nan 0.000 0.463 1017 Q N 3.117 122.940 119.800 0.037 0.000 2.305 1017 Q HA 0.741 5.097 4.340 0.027 0.000 0.271 1017 Q C -2.269 173.831 176.000 0.166 0.000 1.046 1017 Q CA -0.942 54.865 55.803 0.006 0.000 0.798 1017 Q CB 2.995 31.747 28.738 0.024 0.000 1.286 1017 Q HN 0.891 nan 8.270 nan 0.000 0.435 1018 L N 1.938 123.239 121.223 0.130 0.000 2.354 1018 L HA 0.723 5.079 4.340 0.027 0.000 0.269 1018 L C -0.870 176.122 176.870 0.203 0.000 1.005 1018 L CA -1.323 53.628 54.840 0.185 0.000 0.819 1018 L CB 2.505 44.660 42.059 0.159 0.000 1.311 1018 L HN 0.504 nan 8.230 nan 0.000 0.423 1019 V N 1.030 121.089 119.914 0.242 0.000 2.409 1019 V HA 0.379 4.515 4.120 0.027 0.000 0.291 1019 V C -1.117 175.157 176.094 0.299 0.000 1.020 1019 V CA -0.476 61.975 62.300 0.251 0.000 0.848 1019 V CB 1.903 33.849 31.823 0.205 0.000 0.990 1019 V HN 0.603 nan 8.190 nan 0.000 0.430 1020 W N 6.965 128.335 121.300 0.117 0.000 2.475 1020 W HA 0.732 5.408 4.660 0.027 0.000 0.317 1020 W C -0.238 176.286 176.519 0.008 0.000 1.046 1020 W CA -1.115 56.220 57.345 -0.016 0.000 1.215 1020 W CB 1.514 31.022 29.460 0.080 0.000 1.335 1020 W HN 0.886 nan 8.180 nan 0.000 0.471 1021 C N 3.837 123.393 119.300 0.426 0.000 3.336 1021 C HA 0.589 5.065 4.460 0.027 0.000 0.339 1021 C C -0.149 174.956 174.990 0.191 0.000 1.468 1021 C CA -0.799 58.386 59.018 0.279 0.000 1.287 1021 C CB 1.616 29.466 27.740 0.183 0.000 1.682 1021 C HN 0.719 nan 8.230 nan 0.000 0.451 1022 Q N 0.938 120.804 119.800 0.110 0.000 2.189 1022 Q HA 0.473 4.830 4.340 0.027 0.000 0.193 1022 Q C -0.481 175.513 176.000 -0.011 0.000 1.034 1022 Q CA -0.178 55.635 55.803 0.018 0.000 1.062 1022 Q CB 1.052 29.782 28.738 -0.013 0.000 1.118 1022 Q HN 0.714 nan 8.270 nan 0.000 0.569 1023 K N 0.000 120.367 120.400 -0.056 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.027 0.000 0.191 1023 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 1023 K CB 0.000 32.466 32.500 -0.056 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543