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 3pie_1_A DATA FIRST_RESID 3 DATA SEQUENCE IPKFFHFISE RWPQISQLID GSQIPEFDNL YLDMNSILHN CTHGXXXXXX DATA SEQUENCE XRLSEEEVYS KIFSYIDHLF HTIKPKQTFY MAIDGVAPRA KMNQQRARRF DATA SEQUENCE RTAMDAEKAL QKAXXXXXXX XXXXXFDSNA ITPGTEFMAK LTENLKYFIH DATA SEQUENCE DKITNDTRWQ NVKVIFSGHE VPGEGQHKIM DYIRAIRAQE DYNPNTRHCI DATA SEQUENCE YGLDADLIIL GLSTHDHHFC LLREEVTXXX XXXXXXTLET QNFFLLHLSI DATA SEQUENCE LREYLALEFE EITDSVQFEY DFERVLDDFI FVLFTIGNDF LPNLPDLHLK DATA SEQUENCE KGAFPVLLQT FKEALQHMDG YINEQGKINL ARFSIWLKYL SDFEYLNFEK DATA SEQUENCE KDIDVEWFNQ QLENISLEGE RKRTRMGKKL LMKQQKKLIG AVKPWLLKTV DATA SEQUENCE QRKVTSXXXD ADFEIFPLED KELVRANLDF LKEFAFDLGL ILAHSKSKDL DATA SEQUENCE YYFKLDLDSI XXXXXX???? ?????????? ?????XXXXX XXXXXXXXXX DATA SEQUENCE XYSERFVEWK DQYYKDKXXX XXXDTDSLKE MTENYVGGLQ WVLYYYYRGC DATA SEQUENCE PSWSWYYRYH YAPRISDVIK GIDQNIEFHK GQPFKPFQQL MAVLPERSKN DATA SEQUENCE LIPVVYXXXX XXXXXXXXDF YPNEVXXXXX XXXXXXXXVV KISFVDQKRL DATA SEQUENCE VEAMAPYDAK LSPDEKKRNS FGTDLIFIFN PQVDTVYKTP LAGLFNDIEH DATA SEQUENCE NHCIEREFIP ESMENVKFLF GLPKGAKLGA SSLAGFPSLK TLPLTAELAY DATA SEQUENCE NSSVVFNFPS KQQSMVLHIQ DLYXXXXXSL SDLAKRHMGK IVYSRWPFLR DATA SEQUENCE ESKLLSLITE ETVYEGVKSG KLTKVIERKP QDFERKEFRE LKMTLKSNYQ DATA SEQUENCE RTKAILLDDI SALAKVVPVN GLVRNSDGSY SKSFNETIEY YPLQLIVEDV DATA SEQUENCE KNKDERYIEK EPLPINKEFP KGSKVVFLGD YAYGGEATVD GYNSETRLKL DATA SEQUENCE TVKKGSLRAE PNIGKVRAKL DSQALRFYPT QXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXX????? ?????????? DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXKT VADWLSEARK DATA SEQUENCE PFVVVSLESD SLTKASMAAV ESEIIKYVSL PDSSEQKKLA KVPREAILNA DATA SEQUENCE ESSYVLLRSQ RFHLGDRVMY IQDSGKVPLH SKGTVVGYTS IGKNVSIQVL DATA SEQUENCE FDNEIIAGNN FGGRLQTRRG LGLDSSFLLN LSDRQLVY 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.248 176.117 0.219 0.000 1.063 3 I CA 0.000 61.361 61.300 0.102 0.000 1.566 3 I CB 0.000 38.024 38.000 0.040 0.000 1.214 4 P HA -0.185 nan 4.420 nan 0.000 0.217 4 P C 0.945 178.374 177.300 0.216 0.000 1.162 4 P CA 1.488 64.691 63.100 0.171 0.000 0.901 4 P CB 0.215 31.989 31.700 0.123 0.000 0.793 5 K N -2.341 118.240 120.400 0.302 0.000 2.455 5 K HA 0.203 4.522 4.320 -0.000 0.000 0.206 5 K C 1.156 177.958 176.600 0.336 0.000 1.027 5 K CA -0.518 55.933 56.287 0.273 0.000 1.113 5 K CB -0.905 31.723 32.500 0.214 0.000 0.850 5 K HN 0.084 nan 8.250 nan 0.000 0.503 6 F N 0.493 120.581 119.950 0.230 0.000 2.126 6 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 6 F C 1.732 177.646 175.800 0.191 0.000 1.096 6 F CA 1.499 59.584 58.000 0.142 0.000 1.255 6 F CB -0.164 38.936 39.000 0.167 0.000 0.997 6 F HN 0.126 nan 8.300 nan 0.000 0.479 7 F N 0.148 120.126 119.950 0.047 0.000 2.098 7 F HA -0.107 4.419 4.527 -0.000 0.000 0.294 7 F C 2.618 178.403 175.800 -0.024 0.000 1.107 7 F CA 2.210 60.176 58.000 -0.056 0.000 1.234 7 F CB -1.211 37.826 39.000 0.063 0.000 1.002 7 F HN 0.085 nan 8.300 nan 0.000 0.472 8 H N -0.916 118.109 119.070 -0.075 0.000 2.353 8 H HA -0.288 4.268 4.556 -0.001 0.000 0.298 8 H C 2.057 177.306 175.328 -0.132 0.000 1.103 8 H CA 2.695 58.657 56.048 -0.144 0.000 1.293 8 H CB -0.599 29.119 29.762 -0.074 0.000 1.372 8 H HN 0.430 nan 8.280 nan 0.000 0.501 9 F N -0.323 119.509 119.950 -0.198 0.000 2.234 9 F HA -0.030 4.496 4.527 -0.001 0.000 0.296 9 F C 2.227 177.674 175.800 -0.590 0.000 1.089 9 F CA 0.977 58.777 58.000 -0.333 0.000 1.343 9 F CB -0.364 38.385 39.000 -0.417 0.000 1.040 9 F HN 0.212 nan 8.300 nan 0.000 0.498 10 I N -0.425 119.661 120.570 -0.808 0.000 2.315 10 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 10 I C 2.076 177.751 176.117 -0.736 0.000 1.117 10 I CA 1.390 62.148 61.300 -0.904 0.000 1.404 10 I CB -0.274 37.327 38.000 -0.665 0.000 1.071 10 I HN 0.170 nan 8.210 nan 0.000 0.419 11 S N 0.321 115.614 115.700 -0.677 0.000 2.406 11 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 11 S C 1.702 175.954 174.600 -0.580 0.000 1.020 11 S CA 1.020 58.842 58.200 -0.630 0.000 0.965 11 S CB -0.075 62.688 63.200 -0.729 0.000 0.798 11 S HN 0.507 nan 8.310 nan 0.000 0.488 12 E N 0.575 120.439 120.200 -0.560 0.000 2.140 12 E HA 0.034 4.384 4.350 -0.000 0.000 0.191 12 E C 2.250 178.527 176.600 -0.539 0.000 0.973 12 E CA 0.175 56.297 56.400 -0.463 0.000 0.829 12 E CB -0.020 29.496 29.700 -0.307 0.000 0.781 12 E HN 0.289 nan 8.360 nan 0.000 0.466 13 R N 0.354 120.351 120.500 -0.838 0.000 2.075 13 R HA -0.092 4.247 4.340 -0.000 0.000 0.232 13 R C 0.241 176.002 176.300 -0.897 0.000 1.126 13 R CA 1.047 56.510 56.100 -1.063 0.000 0.963 13 R CB 0.245 29.430 30.300 -1.859 0.000 0.858 13 R HN 0.122 nan 8.270 nan 0.000 0.435 14 W N 0.807 121.712 121.300 -0.658 0.000 1.986 14 W HA 0.358 5.018 4.660 -0.000 0.000 0.287 14 W C -2.290 173.683 176.519 -0.909 0.000 0.866 14 W CA -2.623 54.123 57.345 -0.999 0.000 2.056 14 W CB 0.782 29.628 29.460 -1.024 0.000 2.290 14 W HN 0.106 nan 8.180 nan 0.000 0.396 15 P HA -0.150 nan 4.420 nan 0.000 0.234 15 P C 0.830 178.055 177.300 -0.125 0.000 1.162 15 P CA 1.711 64.650 63.100 -0.269 0.000 0.759 15 P CB 0.272 31.869 31.700 -0.171 0.000 0.813 16 Q N -1.167 118.614 119.800 -0.033 0.000 2.171 16 Q HA 0.190 4.530 4.340 -0.000 0.000 0.218 16 Q C 1.653 177.777 176.000 0.207 0.000 0.822 16 Q CA -0.166 55.741 55.803 0.174 0.000 0.987 16 Q CB -0.009 28.921 28.738 0.320 0.000 1.144 16 Q HN 0.368 nan 8.270 nan 0.000 0.494 17 I N -1.718 118.903 120.570 0.085 0.000 2.567 17 I HA -0.063 4.107 4.170 -0.000 0.000 0.257 17 I C 0.648 176.937 176.117 0.288 0.000 1.184 17 I CA 0.435 61.831 61.300 0.160 0.000 1.451 17 I CB 0.041 38.083 38.000 0.070 0.000 1.089 17 I HN -0.110 nan 8.210 nan 0.000 0.441 18 S N 0.548 116.407 115.700 0.266 0.000 2.521 18 S HA 0.499 4.969 4.470 -0.000 0.000 0.295 18 S C -0.699 174.157 174.600 0.426 0.000 1.098 18 S CA -0.735 57.685 58.200 0.366 0.000 0.999 18 S CB 2.120 65.475 63.200 0.258 0.000 1.034 18 S HN 0.402 nan 8.310 nan 0.000 0.483 19 Q N 2.303 122.397 119.800 0.489 0.000 2.348 19 Q HA 0.435 4.775 4.340 -0.000 0.000 0.265 19 Q C -1.168 174.966 176.000 0.224 0.000 0.998 19 Q CA -0.998 54.940 55.803 0.224 0.000 0.831 19 Q CB 1.122 29.915 28.738 0.092 0.000 1.251 19 Q HN 0.763 nan 8.270 nan 0.000 0.456 20 L N 5.409 126.657 121.223 0.041 0.000 2.559 20 L HA 0.165 4.505 4.340 -0.000 0.000 0.274 20 L C -0.794 175.932 176.870 -0.239 0.000 1.205 20 L CA 0.827 55.422 54.840 -0.409 0.000 0.907 20 L CB 0.287 42.163 42.059 -0.305 0.000 1.153 20 L HN 0.650 nan 8.230 nan 0.000 0.490 21 I N 5.642 126.061 120.570 -0.251 0.000 2.379 21 I HA 0.163 4.333 4.170 -0.000 0.000 0.290 21 I C -0.202 175.867 176.117 -0.081 0.000 1.063 21 I CA 0.092 61.342 61.300 -0.085 0.000 1.351 21 I CB 0.410 38.409 38.000 -0.001 0.000 1.410 21 I HN 0.723 nan 8.210 nan 0.000 0.505 22 D N 4.280 124.648 120.400 -0.054 0.000 2.760 22 D HA 0.216 4.856 4.640 -0.000 0.000 0.314 22 D C 0.856 177.150 176.300 -0.009 0.000 1.464 22 D CA -0.008 53.972 54.000 -0.034 0.000 0.797 22 D CB 0.575 41.345 40.800 -0.050 0.000 1.149 22 D HN 0.697 nan 8.370 nan 0.000 0.455 23 G N 0.499 109.298 108.800 -0.001 0.000 2.304 23 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.252 23 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.252 23 G C 0.574 175.478 174.900 0.007 0.000 1.014 23 G CA 0.448 45.552 45.100 0.006 0.000 0.619 23 G HN 1.078 nan 8.290 nan 0.000 0.525 24 S N 0.222 115.926 115.700 0.006 0.000 2.569 24 S HA 0.327 4.797 4.470 -0.000 0.000 0.274 24 S C 0.483 175.096 174.600 0.021 0.000 1.353 24 S CA 0.962 59.172 58.200 0.016 0.000 1.023 24 S CB 0.908 64.111 63.200 0.005 0.000 0.876 24 S HN 0.750 nan 8.310 nan 0.000 0.540 25 Q N 1.201 121.028 119.800 0.045 0.000 2.300 25 Q HA 0.364 4.704 4.340 -0.000 0.000 0.280 25 Q C -0.018 175.990 176.000 0.013 0.000 1.033 25 Q CA 0.062 55.886 55.803 0.035 0.000 0.903 25 Q CB 0.106 28.888 28.738 0.072 0.000 1.195 25 Q HN 0.678 nan 8.270 nan 0.000 0.386 26 I N 1.566 122.136 120.570 -0.000 0.000 2.707 26 I HA 0.676 4.845 4.170 -0.000 0.000 0.309 26 I C -2.304 173.767 176.117 -0.078 0.000 1.001 26 I CA -2.828 58.477 61.300 0.007 0.000 1.129 26 I CB 0.899 38.943 38.000 0.073 0.000 1.308 26 I HN 0.471 nan 8.210 nan 0.000 0.466 27 P HA 0.073 nan 4.420 nan 0.000 0.271 27 P C -0.880 176.156 177.300 -0.440 0.000 1.233 27 P CA -0.098 62.738 63.100 -0.440 0.000 0.795 27 P CB 0.320 31.437 31.700 -0.973 0.000 0.936 28 E N -0.444 119.491 120.200 -0.442 0.000 2.283 28 E HA 0.455 4.805 4.350 -0.000 0.000 0.271 28 E C -0.841 175.435 176.600 -0.539 0.000 1.031 28 E CA -0.291 55.914 56.400 -0.326 0.000 0.868 28 E CB 0.526 30.101 29.700 -0.208 0.000 1.094 28 E HN 0.266 nan 8.360 nan 0.000 0.401 29 F N 0.446 120.354 119.950 -0.070 0.000 2.563 29 F HA 0.205 4.732 4.527 -0.001 0.000 0.316 29 F C 0.993 176.716 175.800 -0.128 0.000 1.076 29 F CA -0.645 57.320 58.000 -0.057 0.000 0.921 29 F CB 1.642 40.596 39.000 -0.077 0.000 1.209 29 F HN 0.403 nan 8.300 nan 0.000 0.462 30 D N 0.352 120.780 120.400 0.047 0.000 2.162 30 D HA 0.003 4.643 4.640 -0.000 0.000 0.205 30 D C -0.218 176.036 176.300 -0.076 0.000 0.964 30 D CA 1.251 55.215 54.000 -0.060 0.000 0.847 30 D CB 0.198 40.925 40.800 -0.122 0.000 0.988 30 D HN 0.299 nan 8.370 nan 0.000 0.480 31 N N 0.376 119.018 118.700 -0.095 0.000 2.296 31 N HA 0.392 5.132 4.740 -0.000 0.000 0.294 31 N C -1.287 174.034 175.510 -0.315 0.000 1.033 31 N CA -0.568 52.344 53.050 -0.230 0.000 0.839 31 N CB 2.520 40.847 38.487 -0.266 0.000 1.395 31 N HN -0.027 nan 8.380 nan 0.000 0.479 32 L N 2.408 123.425 121.223 -0.343 0.000 2.362 32 L HA 0.582 4.922 4.340 -0.000 0.000 0.275 32 L C -1.725 175.010 176.870 -0.225 0.000 0.998 32 L CA -0.642 54.075 54.840 -0.205 0.000 0.820 32 L CB 0.745 42.745 42.059 -0.100 0.000 1.270 32 L HN 0.453 nan 8.230 nan 0.000 0.415 33 Y N 5.209 125.613 120.300 0.172 0.000 2.341 33 Y HA 0.593 5.143 4.550 -0.001 0.000 0.338 33 Y C -0.470 175.583 175.900 0.256 0.000 0.965 33 Y CA -0.792 57.422 58.100 0.190 0.000 1.108 33 Y CB 1.572 40.092 38.460 0.100 0.000 1.180 33 Y HN 0.367 nan 8.280 nan 0.000 0.458 34 L N 3.758 125.219 121.223 0.396 0.000 2.296 34 L HA 0.318 4.658 4.340 -0.000 0.000 0.286 34 L C -0.572 176.526 176.870 0.380 0.000 1.023 34 L CA -0.640 54.454 54.840 0.423 0.000 0.812 34 L CB 1.330 43.616 42.059 0.379 0.000 1.223 34 L HN 0.631 nan 8.230 nan 0.000 0.421 35 D N 3.814 124.446 120.400 0.385 0.000 2.456 35 D HA 0.167 4.806 4.640 -0.000 0.000 0.219 35 D C 0.467 176.952 176.300 0.308 0.000 1.126 35 D CA -0.191 53.975 54.000 0.278 0.000 0.890 35 D CB 1.363 42.270 40.800 0.179 0.000 1.025 35 D HN 0.433 nan 8.370 nan 0.000 0.511 36 M N 2.819 122.587 119.600 0.281 0.000 2.476 36 M HA 0.068 4.548 4.480 -0.000 0.000 0.262 36 M C 1.378 177.811 176.300 0.222 0.000 1.111 36 M CA 0.509 55.970 55.300 0.268 0.000 1.127 36 M CB 0.091 32.854 32.600 0.271 0.000 1.376 36 M HN 0.252 nan 8.290 nan 0.000 0.465 37 N N -0.254 118.577 118.700 0.218 0.000 2.132 37 N HA -0.219 4.521 4.740 -0.000 0.000 0.191 37 N C 1.638 177.290 175.510 0.237 0.000 1.015 37 N CA 1.995 55.186 53.050 0.235 0.000 0.864 37 N CB -0.162 38.451 38.487 0.211 0.000 1.006 37 N HN 0.451 nan 8.380 nan 0.000 0.430 38 S N 0.099 115.885 115.700 0.142 0.000 2.402 38 S HA -0.067 4.402 4.470 -0.000 0.000 0.229 38 S C 1.868 176.504 174.600 0.060 0.000 1.021 38 S CA 0.660 58.908 58.200 0.080 0.000 0.974 38 S CB -0.535 62.693 63.200 0.048 0.000 0.800 38 S HN 0.286 nan 8.310 nan 0.000 0.484 39 I N 1.891 122.476 120.570 0.025 0.000 2.163 39 I HA -0.172 3.998 4.170 -0.000 0.000 0.240 39 I C 2.460 178.538 176.117 -0.066 0.000 1.081 39 I CA 1.276 62.481 61.300 -0.157 0.000 1.353 39 I CB -0.654 37.217 38.000 -0.216 0.000 1.054 39 I HN 0.264 nan 8.210 nan 0.000 0.407 40 L N -0.099 121.144 121.223 0.033 0.000 2.013 40 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 40 L C 2.752 179.597 176.870 -0.040 0.000 1.073 40 L CA 1.632 56.477 54.840 0.009 0.000 0.753 40 L CB -1.425 40.686 42.059 0.087 0.000 0.890 40 L HN 0.342 nan 8.230 nan 0.000 0.432 41 H N -0.067 118.995 119.070 -0.013 0.000 2.319 41 H HA -0.181 4.374 4.556 -0.000 0.000 0.299 41 H C 2.216 177.461 175.328 -0.138 0.000 1.092 41 H CA 2.089 58.108 56.048 -0.048 0.000 1.302 41 H CB -0.250 29.464 29.762 -0.080 0.000 1.373 41 H HN 0.394 nan 8.280 nan 0.000 0.497 42 N N 1.127 119.819 118.700 -0.013 0.000 2.309 42 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 42 N C 1.674 177.169 175.510 -0.025 0.000 1.018 42 N CA 1.131 54.143 53.050 -0.063 0.000 0.876 42 N CB -0.496 37.968 38.487 -0.039 0.000 0.972 42 N HN 0.147 nan 8.380 nan 0.000 0.434 43 C N -0.640 118.634 119.300 -0.044 0.000 2.594 43 C HA 0.182 4.642 4.460 -0.000 0.000 0.265 43 C C 2.038 176.973 174.990 -0.092 0.000 1.351 43 C CA 1.040 60.024 59.018 -0.057 0.000 1.744 43 C CB -1.335 26.340 27.740 -0.108 0.000 1.890 43 C HN 0.738 nan 8.230 nan 0.000 0.551 44 T N -3.559 110.951 114.554 -0.073 0.000 3.054 44 T HA 0.187 4.536 4.350 -0.000 0.000 0.255 44 T C 0.596 175.321 174.700 0.041 0.000 1.035 44 T CA 0.243 62.236 62.100 -0.177 0.000 0.941 44 T CB -0.148 68.450 68.868 -0.451 0.000 1.026 44 T HN 0.612 nan 8.240 nan 0.000 0.533 45 H N 0.250 119.289 119.070 -0.051 0.000 3.209 45 H HA 0.680 5.235 4.556 -0.001 0.000 0.225 45 H C 0.676 176.000 175.328 -0.007 0.000 1.599 45 H CA -1.122 54.927 56.048 0.002 0.000 1.691 45 H CB 0.799 30.585 29.762 0.039 0.000 1.473 45 H HN 0.361 nan 8.280 nan 0.000 0.981 55 L N 1.148 122.358 121.223 -0.022 0.000 2.439 55 L HA 0.626 4.965 4.340 -0.000 0.000 0.259 55 L C 0.724 177.581 176.870 -0.022 0.000 1.129 55 L CA -0.525 54.301 54.840 -0.024 0.000 0.803 55 L CB 0.514 42.553 42.059 -0.033 0.000 1.161 55 L HN 0.692 nan 8.230 nan 0.000 0.462 56 S N -0.899 114.797 115.700 -0.006 0.000 2.645 56 S HA 0.252 4.722 4.470 -0.000 0.000 0.266 56 S C 0.846 175.460 174.600 0.024 0.000 1.258 56 S CA -0.118 58.090 58.200 0.013 0.000 0.990 56 S CB 0.709 63.922 63.200 0.020 0.000 0.967 56 S HN 0.750 nan 8.310 nan 0.000 0.556 57 E N 0.866 121.095 120.200 0.048 0.000 2.058 57 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 57 E C 2.031 178.695 176.600 0.106 0.000 0.997 57 E CA 1.864 58.315 56.400 0.084 0.000 0.801 57 E CB -0.283 29.437 29.700 0.034 0.000 0.746 57 E HN 0.936 nan 8.360 nan 0.000 0.450 58 E N 0.656 120.918 120.200 0.103 0.000 2.070 58 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 58 E C 1.797 178.501 176.600 0.173 0.000 1.004 58 E CA 1.788 58.320 56.400 0.220 0.000 0.805 58 E CB -0.309 29.517 29.700 0.210 0.000 0.744 58 E HN 0.311 nan 8.360 nan 0.000 0.451 59 E N 0.709 120.949 120.200 0.067 0.000 2.072 59 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 59 E C 2.332 178.912 176.600 -0.034 0.000 0.985 59 E CA 1.342 57.749 56.400 0.011 0.000 0.801 59 E CB -0.027 29.667 29.700 -0.010 0.000 0.750 59 E HN 0.149 nan 8.360 nan 0.000 0.452 60 V N 0.589 120.470 119.914 -0.054 0.000 2.237 60 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 60 V C 1.899 177.798 176.094 -0.326 0.000 1.046 60 V CA 1.856 64.054 62.300 -0.170 0.000 1.007 60 V CB -0.597 31.123 31.823 -0.173 0.000 0.638 60 V HN 0.271 nan 8.190 nan 0.000 0.445 61 Y N 0.193 120.298 120.300 -0.325 0.000 2.421 61 Y HA -0.129 4.421 4.550 -0.000 0.000 0.292 61 Y C 2.773 178.150 175.900 -0.871 0.000 1.136 61 Y CA 1.269 58.928 58.100 -0.735 0.000 1.255 61 Y CB -0.430 37.473 38.460 -0.928 0.000 0.991 61 Y HN 0.145 nan 8.280 nan 0.000 0.552 62 S N -0.343 115.248 115.700 -0.181 0.000 2.368 62 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 62 S C 2.079 176.643 174.600 -0.061 0.000 1.030 62 S CA 1.090 59.292 58.200 0.003 0.000 0.999 62 S CB -0.064 63.171 63.200 0.058 0.000 0.844 62 S HN 0.362 nan 8.310 nan 0.000 0.459 63 K N 0.948 121.286 120.400 -0.104 0.000 2.001 63 K HA 0.048 4.368 4.320 -0.000 0.000 0.208 63 K C 2.033 178.632 176.600 -0.001 0.000 1.048 63 K CA 0.986 57.251 56.287 -0.037 0.000 0.932 63 K CB -0.613 31.860 32.500 -0.045 0.000 0.715 63 K HN 0.380 nan 8.250 nan 0.000 0.437 64 I N 0.659 121.146 120.570 -0.139 0.000 2.208 64 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 64 I C 2.191 178.330 176.117 0.036 0.000 1.097 64 I CA 1.207 62.455 61.300 -0.087 0.000 1.363 64 I CB -0.300 37.540 38.000 -0.267 0.000 1.051 64 I HN -0.037 nan 8.210 nan 0.000 0.413 65 F N 0.785 120.601 119.950 -0.224 0.000 2.146 65 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 65 F C 2.843 178.578 175.800 -0.109 0.000 1.096 65 F CA 0.874 58.581 58.000 -0.487 0.000 1.275 65 F CB -1.574 37.243 39.000 -0.306 0.000 1.008 65 F HN -0.015 nan 8.300 nan 0.000 0.480 66 S N -0.880 114.936 115.700 0.194 0.000 2.383 66 S HA -0.234 4.235 4.470 -0.000 0.000 0.229 66 S C 1.948 176.657 174.600 0.182 0.000 1.030 66 S CA 1.085 59.379 58.200 0.157 0.000 1.002 66 S CB -0.699 62.545 63.200 0.073 0.000 0.829 66 S HN 0.400 nan 8.310 nan 0.000 0.467 67 Y N 1.446 121.800 120.300 0.089 0.000 2.153 67 Y HA -0.052 4.498 4.550 -0.001 0.000 0.289 67 Y C 2.095 178.077 175.900 0.136 0.000 1.127 67 Y CA 1.241 59.405 58.100 0.106 0.000 1.131 67 Y CB -0.191 38.312 38.460 0.072 0.000 0.995 67 Y HN 0.135 nan 8.280 nan 0.000 0.505 68 I N -0.030 120.767 120.570 0.379 0.000 2.163 68 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 68 I C 2.081 178.481 176.117 0.472 0.000 1.085 68 I CA 1.882 63.427 61.300 0.408 0.000 1.347 68 I CB -0.416 37.830 38.000 0.410 0.000 1.044 68 I HN 0.244 nan 8.210 nan 0.000 0.408 69 D N -0.110 120.581 120.400 0.486 0.000 2.117 69 D HA -0.261 4.379 4.640 -0.000 0.000 0.197 69 D C 2.092 178.655 176.300 0.437 0.000 0.987 69 D CA 1.435 55.762 54.000 0.545 0.000 0.829 69 D CB -0.047 41.033 40.800 0.467 0.000 0.961 69 D HN 0.358 nan 8.370 nan 0.000 0.460 70 H N -0.071 119.099 119.070 0.166 0.000 2.290 70 H HA -0.035 4.521 4.556 -0.001 0.000 0.298 70 H C 2.096 177.392 175.328 -0.054 0.000 1.087 70 H CA 1.726 57.780 56.048 0.011 0.000 1.291 70 H CB -0.392 29.264 29.762 -0.177 0.000 1.369 70 H HN 0.146 nan 8.280 nan 0.000 0.492 71 L N -1.057 120.099 121.223 -0.111 0.000 2.083 71 L HA -0.134 4.205 4.340 -0.000 0.000 0.209 71 L C 2.304 179.041 176.870 -0.221 0.000 1.083 71 L CA 1.227 55.904 54.840 -0.272 0.000 0.752 71 L CB -0.579 41.354 42.059 -0.210 0.000 0.899 71 L HN 0.273 nan 8.230 nan 0.000 0.433 72 F N 0.586 120.378 119.950 -0.263 0.000 2.134 72 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 72 F C 2.457 177.929 175.800 -0.548 0.000 1.097 72 F CA 1.797 59.461 58.000 -0.562 0.000 1.264 72 F CB -0.114 38.465 39.000 -0.701 0.000 1.001 72 F HN 0.076 nan 8.300 nan 0.000 0.479 73 H N -1.050 118.064 119.070 0.074 0.000 2.470 73 H HA -0.051 4.505 4.556 -0.001 0.000 0.289 73 H C 2.163 177.384 175.328 -0.178 0.000 1.033 73 H CA 1.665 57.717 56.048 0.007 0.000 1.331 73 H CB -0.451 29.394 29.762 0.139 0.000 1.414 73 H HN 0.184 nan 8.280 nan 0.000 0.545 74 T N 0.751 115.156 114.554 -0.247 0.000 2.720 74 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 74 T C 1.745 176.316 174.700 -0.214 0.000 1.037 74 T CA 1.283 63.216 62.100 -0.279 0.000 1.144 74 T CB 0.010 68.620 68.868 -0.430 0.000 0.864 74 T HN 0.210 nan 8.240 nan 0.000 0.444 75 I N 0.320 120.705 120.570 -0.309 0.000 2.628 75 I HA 0.127 4.297 4.170 -0.000 0.000 0.255 75 I C 0.730 176.695 176.117 -0.254 0.000 1.119 75 I CA 0.716 61.867 61.300 -0.248 0.000 1.448 75 I CB -0.777 37.008 38.000 -0.358 0.000 1.133 75 I HN 0.313 nan 8.210 nan 0.000 0.438 76 K N 0.890 120.974 120.400 -0.526 0.000 3.372 76 K HA -0.104 4.216 4.320 -0.000 0.000 0.272 76 K C -2.286 174.038 176.600 -0.460 0.000 1.037 76 K CA -0.159 55.803 56.287 -0.542 0.000 0.777 76 K CB -1.774 30.582 32.500 -0.240 0.000 1.347 76 K HN 0.300 nan 8.250 nan 0.000 0.460 77 P HA -0.051 nan 4.420 nan 0.000 0.266 77 P C -0.141 176.994 177.300 -0.274 0.000 1.195 77 P CA 0.206 63.089 63.100 -0.362 0.000 0.768 77 P CB 0.706 32.155 31.700 -0.419 0.000 0.838 78 K N 1.159 121.468 120.400 -0.153 0.000 2.354 78 K HA 0.062 4.381 4.320 -0.000 0.000 0.194 78 K C 1.569 178.127 176.600 -0.070 0.000 1.038 78 K CA 0.372 56.592 56.287 -0.112 0.000 1.052 78 K CB 0.379 32.821 32.500 -0.097 0.000 0.861 78 K HN 0.356 nan 8.250 nan 0.000 0.535 79 Q N -0.347 119.420 119.800 -0.056 0.000 2.631 79 Q HA 0.159 4.499 4.340 -0.000 0.000 0.220 79 Q C 0.176 176.193 176.000 0.028 0.000 0.819 79 Q CA 0.818 56.616 55.803 -0.008 0.000 0.914 79 Q CB 0.906 29.643 28.738 -0.002 0.000 1.248 79 Q HN -0.029 nan 8.270 nan 0.000 0.629 80 T N 1.670 116.233 114.554 0.014 0.000 2.841 80 T HA 0.506 4.855 4.350 -0.000 0.000 0.285 80 T C -1.499 173.213 174.700 0.020 0.000 0.991 80 T CA -0.386 61.742 62.100 0.047 0.000 0.966 80 T CB 1.202 70.124 68.868 0.090 0.000 0.962 80 T HN 0.016 nan 8.240 nan 0.000 0.438 81 F N 4.226 124.108 119.950 -0.113 0.000 2.427 81 F HA 0.589 5.116 4.527 -0.001 0.000 0.348 81 F C -1.569 174.217 175.800 -0.023 0.000 1.125 81 F CA -2.013 55.907 58.000 -0.133 0.000 0.989 81 F CB 0.723 39.650 39.000 -0.122 0.000 1.165 81 F HN 0.620 nan 8.300 nan 0.000 0.442 82 Y N 7.599 127.585 120.300 -0.523 0.000 2.356 82 Y HA 0.593 5.143 4.550 -0.000 0.000 0.334 82 Y C -0.950 174.731 175.900 -0.366 0.000 0.958 82 Y CA -0.868 56.980 58.100 -0.420 0.000 1.196 82 Y CB 1.066 39.377 38.460 -0.247 0.000 1.137 82 Y HN 0.584 nan 8.280 nan 0.000 0.485 83 M N 5.807 125.142 119.600 -0.441 0.000 2.268 83 M HA 0.700 5.180 4.480 -0.000 0.000 0.344 83 M C -0.710 175.538 176.300 -0.087 0.000 1.106 83 M CA -0.604 54.626 55.300 -0.116 0.000 1.010 83 M CB 1.693 34.327 32.600 0.057 0.000 1.649 83 M HN 0.697 nan 8.290 nan 0.000 0.443 84 A N 4.356 127.243 122.820 0.111 0.000 2.393 84 A HA 0.935 5.255 4.320 -0.000 0.000 0.306 84 A C -1.057 176.603 177.584 0.127 0.000 1.050 84 A CA -0.643 51.447 52.037 0.088 0.000 0.724 84 A CB 1.163 20.327 19.000 0.272 0.000 1.248 84 A HN 0.859 nan 8.150 nan 0.000 0.424 85 I N 1.044 121.656 120.570 0.069 0.000 2.689 85 I HA 0.278 4.448 4.170 -0.000 0.000 0.299 85 I C -0.954 175.268 176.117 0.174 0.000 1.059 85 I CA -0.900 60.502 61.300 0.170 0.000 1.055 85 I CB 2.199 40.341 38.000 0.236 0.000 1.243 85 I HN 0.505 nan 8.210 nan 0.000 0.425 86 D N 4.352 124.876 120.400 0.208 0.000 2.434 86 D HA 0.182 4.822 4.640 -0.000 0.000 0.252 86 D C 0.480 176.923 176.300 0.238 0.000 1.185 86 D CA 0.412 54.538 54.000 0.210 0.000 0.886 86 D CB 1.065 41.984 40.800 0.199 0.000 1.148 86 D HN 0.711 nan 8.370 nan 0.000 0.483 87 G N 1.125 110.058 108.800 0.222 0.000 2.504 87 G HA2 0.298 4.258 3.960 -0.000 0.000 0.257 87 G HA3 0.298 4.258 3.960 -0.000 0.000 0.257 87 G C -0.179 174.863 174.900 0.236 0.000 1.451 87 G CA -0.498 44.743 45.100 0.235 0.000 1.059 87 G HN 0.361 nan 8.290 nan 0.000 0.550 88 V N 1.004 121.055 119.914 0.228 0.000 2.555 88 V HA 0.470 4.590 4.120 -0.000 0.000 0.286 88 V C 1.021 177.292 176.094 0.295 0.000 1.044 88 V CA -0.183 62.254 62.300 0.229 0.000 1.026 88 V CB 0.486 32.439 31.823 0.217 0.000 0.981 88 V HN 0.894 nan 8.190 nan 0.000 0.480 89 A N 8.685 131.663 122.820 0.263 0.000 2.287 89 A HA 0.762 5.082 4.320 -0.000 0.000 0.273 89 A C -2.129 175.673 177.584 0.363 0.000 1.091 89 A CA -1.492 50.720 52.037 0.292 0.000 0.817 89 A CB 0.207 19.308 19.000 0.168 0.000 1.069 89 A HN 0.678 nan 8.150 nan 0.000 0.492 90 P HA 0.154 nan 4.420 nan 0.000 0.274 90 P C 0.337 177.645 177.300 0.013 0.000 1.256 90 P CA -0.350 62.880 63.100 0.217 0.000 0.795 90 P CB 0.676 32.338 31.700 -0.063 0.000 1.038 91 R N 1.181 121.628 120.500 -0.088 0.000 2.120 91 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 91 R C 2.082 178.284 176.300 -0.163 0.000 1.123 91 R CA 1.527 57.498 56.100 -0.214 0.000 0.975 91 R CB -1.061 29.068 30.300 -0.284 0.000 0.866 91 R HN 0.532 nan 8.270 nan 0.000 0.446 92 A N 0.369 123.071 122.820 -0.197 0.000 2.255 92 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 92 A C 1.845 179.460 177.584 0.053 0.000 1.175 92 A CA 1.549 53.464 52.037 -0.204 0.000 0.682 92 A CB -0.252 18.306 19.000 -0.737 0.000 0.784 92 A HN 0.334 nan 8.150 nan 0.000 0.482 93 K N -2.003 118.404 120.400 0.011 0.000 2.544 93 K HA 0.182 4.501 4.320 -0.000 0.000 0.213 93 K C 1.539 178.108 176.600 -0.052 0.000 1.392 93 K CA 0.157 56.429 56.287 -0.025 0.000 0.980 93 K CB 0.033 32.525 32.500 -0.013 0.000 1.177 93 K HN 0.368 nan 8.250 nan 0.000 0.570 94 M N 1.347 120.910 119.600 -0.061 0.000 2.143 94 M HA -0.252 4.227 4.480 -0.000 0.000 0.258 94 M C 1.747 177.991 176.300 -0.092 0.000 1.071 94 M CA 1.552 56.812 55.300 -0.068 0.000 1.088 94 M CB -1.284 31.260 32.600 -0.092 0.000 1.360 94 M HN 0.265 nan 8.290 nan 0.000 0.404 95 N N 0.553 119.191 118.700 -0.103 0.000 2.104 95 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 95 N C 1.763 177.193 175.510 -0.133 0.000 1.024 95 N CA 1.561 54.510 53.050 -0.168 0.000 0.853 95 N CB 0.141 38.513 38.487 -0.193 0.000 1.008 95 N HN 0.554 nan 8.380 nan 0.000 0.424 96 Q N 0.310 120.061 119.800 -0.082 0.000 2.163 96 Q HA -0.070 4.270 4.340 -0.000 0.000 0.198 96 Q C 1.774 177.737 176.000 -0.060 0.000 0.954 96 Q CA 0.708 56.468 55.803 -0.073 0.000 0.851 96 Q CB -0.625 28.066 28.738 -0.079 0.000 0.928 96 Q HN 0.445 nan 8.270 nan 0.000 0.459 97 Q N 1.019 120.787 119.800 -0.052 0.000 2.061 97 Q HA -0.169 4.170 4.340 -0.000 0.000 0.204 97 Q C 2.339 178.333 176.000 -0.010 0.000 0.984 97 Q CA 2.096 57.887 55.803 -0.020 0.000 0.846 97 Q CB -0.102 28.637 28.738 0.001 0.000 0.902 97 Q HN 0.449 nan 8.270 nan 0.000 0.421 98 R N -0.163 120.316 120.500 -0.035 0.000 2.119 98 R HA -0.008 4.332 4.340 -0.000 0.000 0.222 98 R C 2.020 178.312 176.300 -0.013 0.000 1.088 98 R CA 1.040 57.122 56.100 -0.030 0.000 0.984 98 R CB -0.193 30.053 30.300 -0.091 0.000 0.884 98 R HN 0.158 nan 8.270 nan 0.000 0.447 99 A N 1.746 124.534 122.820 -0.052 0.000 1.873 99 A HA -0.099 4.220 4.320 -0.000 0.000 0.215 99 A C 2.208 179.819 177.584 0.044 0.000 1.186 99 A CA 1.200 53.218 52.037 -0.031 0.000 0.616 99 A CB -0.430 18.517 19.000 -0.089 0.000 0.823 99 A HN 0.362 nan 8.150 nan 0.000 0.442 100 R N -0.930 119.578 120.500 0.013 0.000 2.082 100 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 100 R C 2.468 178.790 176.300 0.036 0.000 1.136 100 R CA 1.796 57.906 56.100 0.016 0.000 0.935 100 R CB -0.387 29.910 30.300 -0.006 0.000 0.842 100 R HN 0.379 nan 8.270 nan 0.000 0.430 101 R N 0.087 120.612 120.500 0.043 0.000 2.096 101 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 101 R C 2.042 178.371 176.300 0.048 0.000 1.139 101 R CA 1.907 58.032 56.100 0.043 0.000 0.952 101 R CB -0.636 29.693 30.300 0.050 0.000 0.854 101 R HN 0.228 nan 8.270 nan 0.000 0.436 102 F N 1.141 121.072 119.950 -0.031 0.000 2.134 102 F HA -0.179 4.348 4.527 -0.001 0.000 0.299 102 F C 1.995 177.777 175.800 -0.030 0.000 1.097 102 F CA 1.509 59.491 58.000 -0.030 0.000 1.264 102 F CB -0.001 38.974 39.000 -0.042 0.000 1.001 102 F HN -0.125 nan 8.300 nan 0.000 0.479 103 R N -0.397 120.112 120.500 0.015 0.000 2.152 103 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 103 R C 2.049 178.269 176.300 -0.134 0.000 1.117 103 R CA 1.693 57.752 56.100 -0.069 0.000 0.981 103 R CB -0.842 29.479 30.300 0.034 0.000 0.870 103 R HN 0.319 nan 8.270 nan 0.000 0.451 104 T N 0.787 115.280 114.554 -0.101 0.000 2.737 104 T HA -0.075 4.274 4.350 -0.000 0.000 0.265 104 T C 1.930 176.539 174.700 -0.153 0.000 1.038 104 T CA 1.367 63.414 62.100 -0.088 0.000 1.144 104 T CB -0.140 68.707 68.868 -0.036 0.000 0.866 104 T HN 0.342 nan 8.240 nan 0.000 0.434 105 A N 1.113 123.807 122.820 -0.210 0.000 1.930 105 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 105 A C 2.207 179.626 177.584 -0.276 0.000 1.175 105 A CA 1.603 53.503 52.037 -0.229 0.000 0.627 105 A CB -0.613 18.255 19.000 -0.219 0.000 0.815 105 A HN 0.382 nan 8.150 nan 0.000 0.443 106 M N 0.323 119.670 119.600 -0.422 0.000 2.066 106 M HA -0.132 4.347 4.480 -0.000 0.000 0.259 106 M C 1.319 177.498 176.300 -0.201 0.000 1.074 106 M CA 2.169 57.239 55.300 -0.384 0.000 1.114 106 M CB -0.688 31.594 32.600 -0.530 0.000 1.306 106 M HN 0.341 nan 8.290 nan 0.000 0.411 107 D N 0.010 120.314 120.400 -0.160 0.000 2.221 107 D HA -0.102 4.538 4.640 -0.000 0.000 0.204 107 D C 1.882 178.135 176.300 -0.079 0.000 0.982 107 D CA 1.537 55.483 54.000 -0.090 0.000 0.857 107 D CB -0.295 40.469 40.800 -0.058 0.000 0.934 107 D HN 0.506 nan 8.370 nan 0.000 0.475 108 A N 0.768 123.528 122.820 -0.100 0.000 1.855 108 A HA -0.200 4.119 4.320 -0.000 0.000 0.215 108 A C 2.169 179.704 177.584 -0.081 0.000 1.191 108 A CA 1.816 53.798 52.037 -0.091 0.000 0.613 108 A CB -0.562 18.371 19.000 -0.112 0.000 0.829 108 A HN 0.248 nan 8.150 nan 0.000 0.442 109 E N -0.205 119.938 120.200 -0.095 0.000 2.031 109 E HA -0.223 4.126 4.350 -0.000 0.000 0.193 109 E C 2.068 178.632 176.600 -0.059 0.000 0.994 109 E CA 1.660 58.014 56.400 -0.077 0.000 0.800 109 E CB -0.145 29.502 29.700 -0.088 0.000 0.752 109 E HN 0.563 nan 8.360 nan 0.000 0.447 110 K N 0.328 120.689 120.400 -0.065 0.000 1.969 110 K HA -0.135 4.185 4.320 -0.000 0.000 0.216 110 K C 1.379 177.960 176.600 -0.032 0.000 1.048 110 K CA 1.307 57.568 56.287 -0.044 0.000 0.948 110 K CB -0.357 32.118 32.500 -0.043 0.000 0.726 110 K HN 0.208 nan 8.250 nan 0.000 0.442 111 A N 0.780 123.581 122.820 -0.033 0.000 2.847 111 A HA -0.025 4.295 4.320 -0.000 0.000 0.194 111 A C 1.324 178.893 177.584 -0.025 0.000 1.893 111 A CA 0.366 52.389 52.037 -0.023 0.000 0.983 111 A CB -0.993 17.996 19.000 -0.018 0.000 1.762 111 A HN 0.349 nan 8.150 nan 0.000 0.802 112 L N -1.603 119.606 121.223 -0.023 0.000 2.645 112 L HA -0.412 3.927 4.340 -0.000 0.000 0.241 112 L C 2.496 179.352 176.870 -0.023 0.000 2.000 112 L CA 3.107 57.933 54.840 -0.023 0.000 0.772 112 L CB -1.696 40.344 42.059 -0.032 0.000 1.505 112 L HN 0.911 nan 8.230 nan 0.000 0.393 113 Q N -1.731 118.051 119.800 -0.031 0.000 2.207 113 Q HA -0.276 4.064 4.340 -0.000 0.000 0.215 113 Q C 2.018 178.006 176.000 -0.021 0.000 1.006 113 Q CA 2.977 58.763 55.803 -0.028 0.000 0.903 113 Q CB -0.025 28.691 28.738 -0.037 0.000 0.947 113 Q HN 0.591 nan 8.270 nan 0.000 0.414 114 K N -1.386 119.002 120.400 -0.020 0.000 2.344 114 K HA 0.457 4.777 4.320 -0.000 0.000 0.229 114 K C 0.132 176.726 176.600 -0.010 0.000 1.112 114 K CA 0.616 56.895 56.287 -0.014 0.000 0.850 114 K CB -0.059 32.433 32.500 -0.014 0.000 1.311 114 K HN 0.200 nan 8.250 nan 0.000 0.448 129 D N 3.244 123.029 120.400 -1.025 0.000 2.456 129 D HA 0.193 4.833 4.640 -0.000 0.000 0.219 129 D C 1.063 176.599 176.300 -1.272 0.000 1.126 129 D CA 0.768 54.258 54.000 -0.849 0.000 0.890 129 D CB 1.638 42.125 40.800 -0.521 0.000 1.025 129 D HN 0.592 nan 8.370 nan 0.000 0.511 130 S N 4.049 119.320 115.700 -0.715 0.000 2.389 130 S HA -0.263 4.207 4.470 -0.000 0.000 0.231 130 S C 1.464 175.880 174.600 -0.306 0.000 1.052 130 S CA 1.408 59.417 58.200 -0.318 0.000 1.053 130 S CB -0.186 63.033 63.200 0.033 0.000 0.886 130 S HN 0.549 nan 8.310 nan 0.000 0.456 131 N N 1.747 120.289 118.700 -0.264 0.000 2.513 131 N HA -0.017 4.722 4.740 -0.000 0.000 0.187 131 N C 1.779 177.174 175.510 -0.191 0.000 1.056 131 N CA 1.016 53.972 53.050 -0.157 0.000 0.907 131 N CB -0.777 37.640 38.487 -0.117 0.000 0.954 131 N HN 0.629 nan 8.380 nan 0.000 0.445 132 A N 1.202 123.804 122.820 -0.365 0.000 1.978 132 A HA -0.075 4.244 4.320 -0.000 0.000 0.220 132 A C 1.340 178.826 177.584 -0.164 0.000 1.170 132 A CA 0.588 52.457 52.037 -0.280 0.000 0.636 132 A CB -0.528 18.221 19.000 -0.418 0.000 0.810 132 A HN 0.261 nan 8.150 nan 0.000 0.448 133 I N 1.874 122.307 120.570 -0.229 0.000 2.501 133 I HA 0.078 4.248 4.170 -0.000 0.000 0.305 133 I C -0.385 175.756 176.117 0.041 0.000 1.197 133 I CA 0.221 61.467 61.300 -0.090 0.000 1.793 133 I CB -0.750 37.101 38.000 -0.248 0.000 1.521 133 I HN 0.042 nan 8.210 nan 0.000 0.843 134 T N 4.478 119.062 114.554 0.050 0.000 2.868 134 T HA 0.388 4.738 4.350 -0.000 0.000 0.306 134 T C -2.693 172.046 174.700 0.066 0.000 1.224 134 T CA -1.165 60.985 62.100 0.084 0.000 1.012 134 T CB 2.353 71.268 68.868 0.078 0.000 1.221 134 T HN 0.031 nan 8.240 nan 0.000 0.499 135 P HA 0.401 nan 4.420 nan 0.000 0.274 135 P C 0.955 178.361 177.300 0.175 0.000 1.231 135 P CA 0.483 63.654 63.100 0.119 0.000 0.790 135 P CB 0.601 32.460 31.700 0.265 0.000 0.951 136 G N 0.472 109.396 108.800 0.207 0.000 2.268 136 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.240 136 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.240 136 G C 0.586 175.683 174.900 0.328 0.000 1.010 136 G CA 0.336 45.619 45.100 0.306 0.000 0.618 136 G HN 0.719 nan 8.290 nan 0.000 0.516 137 T N 0.536 115.209 114.554 0.198 0.000 2.908 137 T HA 0.262 4.611 4.350 -0.000 0.000 0.325 137 T C 1.529 176.343 174.700 0.190 0.000 1.092 137 T CA 1.005 63.203 62.100 0.164 0.000 1.125 137 T CB 0.942 69.883 68.868 0.122 0.000 1.016 137 T HN 0.403 nan 8.240 nan 0.000 0.550 138 E N 1.540 121.845 120.200 0.175 0.000 2.051 138 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 138 E C 1.689 178.408 176.600 0.199 0.000 0.991 138 E CA 1.061 57.562 56.400 0.168 0.000 0.799 138 E CB -0.168 29.609 29.700 0.129 0.000 0.748 138 E HN 0.744 nan 8.360 nan 0.000 0.449 139 F N 0.587 120.597 119.950 0.099 0.000 2.115 139 F HA -0.273 4.254 4.527 -0.000 0.000 0.300 139 F C 2.031 177.917 175.800 0.145 0.000 1.092 139 F CA 1.417 59.502 58.000 0.141 0.000 1.245 139 F CB 0.048 39.155 39.000 0.179 0.000 0.995 139 F HN 0.058 nan 8.300 nan 0.000 0.481 140 M N -0.460 119.299 119.600 0.265 0.000 2.506 140 M HA 0.048 4.528 4.480 -0.000 0.000 0.260 140 M C 2.291 178.767 176.300 0.294 0.000 1.104 140 M CA 1.083 56.455 55.300 0.120 0.000 1.112 140 M CB -1.191 31.189 32.600 -0.366 0.000 1.401 140 M HN 0.348 nan 8.290 nan 0.000 0.473 141 A N 0.050 123.010 122.820 0.233 0.000 1.970 141 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 141 A C 2.213 179.873 177.584 0.127 0.000 1.170 141 A CA 1.393 53.577 52.037 0.246 0.000 0.645 141 A CB -0.256 18.853 19.000 0.182 0.000 0.816 141 A HN 0.273 nan 8.150 nan 0.000 0.447 142 K N 0.126 120.534 120.400 0.012 0.000 2.062 142 K HA 0.016 4.335 4.320 -0.000 0.000 0.205 142 K C 1.780 178.285 176.600 -0.158 0.000 1.051 142 K CA 1.269 57.488 56.287 -0.113 0.000 0.941 142 K CB -0.662 31.715 32.500 -0.205 0.000 0.719 142 K HN 0.382 nan 8.250 nan 0.000 0.440 143 L N 0.492 121.641 121.223 -0.123 0.000 2.021 143 L HA -0.267 4.073 4.340 -0.000 0.000 0.215 143 L C 1.735 178.712 176.870 0.179 0.000 1.074 143 L CA 2.273 57.159 54.840 0.076 0.000 0.760 143 L CB -0.749 41.436 42.059 0.210 0.000 0.889 143 L HN 0.244 nan 8.230 nan 0.000 0.433 144 T N -1.009 113.694 114.554 0.248 0.000 2.881 144 T HA -0.204 4.146 4.350 -0.000 0.000 0.270 144 T C 1.707 176.474 174.700 0.112 0.000 1.068 144 T CA 1.498 63.742 62.100 0.240 0.000 1.131 144 T CB -0.135 68.895 68.868 0.270 0.000 0.871 144 T HN 0.475 nan 8.240 nan 0.000 0.479 145 E N 0.704 120.939 120.200 0.059 0.000 2.051 145 E HA -0.107 4.242 4.350 -0.000 0.000 0.189 145 E C 1.996 178.603 176.600 0.012 0.000 0.979 145 E CA 0.578 56.995 56.400 0.029 0.000 0.803 145 E CB 0.097 29.779 29.700 -0.030 0.000 0.761 145 E HN 0.318 nan 8.360 nan 0.000 0.451 146 N N 1.129 119.775 118.700 -0.091 0.000 2.039 146 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 146 N C 2.136 177.727 175.510 0.135 0.000 1.044 146 N CA 0.885 53.885 53.050 -0.083 0.000 0.847 146 N CB -0.670 37.481 38.487 -0.560 0.000 1.030 146 N HN 0.160 nan 8.380 nan 0.000 0.422 147 L N 1.413 122.718 121.223 0.136 0.000 2.051 147 L HA -0.237 4.102 4.340 -0.000 0.000 0.214 147 L C 2.302 179.083 176.870 -0.149 0.000 1.076 147 L CA 1.464 56.326 54.840 0.036 0.000 0.758 147 L CB -0.305 41.720 42.059 -0.057 0.000 0.890 147 L HN 0.241 nan 8.230 nan 0.000 0.433 148 K N -1.045 119.277 120.400 -0.130 0.000 2.063 148 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 148 K C 2.097 178.637 176.600 -0.099 0.000 1.048 148 K CA 1.947 58.199 56.287 -0.059 0.000 0.928 148 K CB -0.457 32.162 32.500 0.198 0.000 0.713 148 K HN 0.272 nan 8.250 nan 0.000 0.442 149 Y N 1.094 121.257 120.300 -0.228 0.000 2.165 149 Y HA -0.288 4.261 4.550 -0.001 0.000 0.286 149 Y C 2.022 177.645 175.900 -0.463 0.000 1.155 149 Y CA 1.596 59.433 58.100 -0.438 0.000 1.164 149 Y CB -0.522 37.846 38.460 -0.154 0.000 0.978 149 Y HN 0.100 nan 8.280 nan 0.000 0.513 150 F N 0.114 119.545 119.950 -0.866 0.000 2.163 150 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 150 F C 1.938 177.163 175.800 -0.959 0.000 1.094 150 F CA 1.627 58.915 58.000 -1.186 0.000 1.290 150 F CB -0.744 37.173 39.000 -1.805 0.000 1.017 150 F HN 0.054 nan 8.300 nan 0.000 0.483 151 I N 0.318 120.194 120.570 -1.157 0.000 2.163 151 I HA -0.363 3.806 4.170 -0.000 0.000 0.243 151 I C 2.408 177.954 176.117 -0.952 0.000 1.085 151 I CA 1.944 62.519 61.300 -1.208 0.000 1.347 151 I CB -0.747 36.610 38.000 -1.072 0.000 1.044 151 I HN 0.191 nan 8.210 nan 0.000 0.408 152 H N -0.146 118.458 119.070 -0.775 0.000 2.319 152 H HA -0.230 4.326 4.556 -0.000 0.000 0.299 152 H C 1.926 176.909 175.328 -0.576 0.000 1.092 152 H CA 2.100 57.827 56.048 -0.535 0.000 1.302 152 H CB -0.305 29.091 29.762 -0.611 0.000 1.373 152 H HN 0.352 nan 8.280 nan 0.000 0.497 153 D N 0.238 120.239 120.400 -0.665 0.000 2.104 153 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 153 D C 2.012 177.941 176.300 -0.618 0.000 0.994 153 D CA 1.328 54.970 54.000 -0.597 0.000 0.830 153 D CB 0.070 40.428 40.800 -0.736 0.000 0.959 153 D HN 0.039 nan 8.370 nan 0.000 0.452 154 K N 0.034 119.849 120.400 -0.975 0.000 2.002 154 K HA 0.064 4.384 4.320 -0.000 0.000 0.209 154 K C 2.166 178.303 176.600 -0.771 0.000 1.048 154 K CA 0.963 56.524 56.287 -1.211 0.000 0.930 154 K CB -0.475 30.593 32.500 -2.387 0.000 0.714 154 K HN 0.272 nan 8.250 nan 0.000 0.438 155 I N 0.236 120.462 120.570 -0.573 0.000 2.567 155 I HA -0.260 3.910 4.170 -0.000 0.000 0.257 155 I C 1.671 177.741 176.117 -0.078 0.000 1.184 155 I CA 1.162 62.348 61.300 -0.190 0.000 1.451 155 I CB -0.266 37.697 38.000 -0.061 0.000 1.089 155 I HN 0.166 nan 8.210 nan 0.000 0.441 156 T N 0.114 114.566 114.554 -0.171 0.000 2.978 156 T HA -0.027 4.323 4.350 -0.000 0.000 0.262 156 T C 1.411 176.090 174.700 -0.034 0.000 1.063 156 T CA 1.359 63.424 62.100 -0.058 0.000 1.140 156 T CB -0.105 68.685 68.868 -0.130 0.000 0.886 156 T HN 0.426 nan 8.240 nan 0.000 0.470 157 N N -0.204 118.411 118.700 -0.141 0.000 2.297 157 N HA 0.085 4.825 4.740 -0.000 0.000 0.208 157 N C -0.276 175.160 175.510 -0.122 0.000 1.176 157 N CA -0.095 52.886 53.050 -0.115 0.000 0.882 157 N CB 0.983 39.386 38.487 -0.139 0.000 1.134 157 N HN 0.080 nan 8.380 nan 0.000 0.489 158 D N 0.696 120.992 120.400 -0.174 0.000 2.329 158 D HA 0.059 4.699 4.640 -0.000 0.000 0.232 158 D C 0.943 177.230 176.300 -0.022 0.000 1.088 158 D CA -0.018 53.942 54.000 -0.068 0.000 0.835 158 D CB 1.386 42.124 40.800 -0.102 0.000 1.078 158 D HN 0.191 nan 8.370 nan 0.000 0.495 159 T N 1.903 116.451 114.554 -0.010 0.000 2.915 159 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 159 T C 1.839 176.524 174.700 -0.025 0.000 1.071 159 T CA 0.676 62.725 62.100 -0.086 0.000 1.132 159 T CB 0.128 68.958 68.868 -0.064 0.000 0.878 159 T HN 0.285 nan 8.240 nan 0.000 0.479 160 R N -0.316 120.254 120.500 0.117 0.000 2.096 160 R HA 0.052 4.391 4.340 -0.000 0.000 0.235 160 R C 1.574 177.949 176.300 0.125 0.000 1.127 160 R CA 1.361 57.550 56.100 0.148 0.000 0.968 160 R CB -0.366 30.114 30.300 0.300 0.000 0.861 160 R HN 0.509 nan 8.270 nan 0.000 0.440 161 W N 0.490 121.702 121.300 -0.147 0.000 3.077 161 W HA 0.015 4.674 4.660 -0.001 0.000 0.245 161 W C 1.299 177.716 176.519 -0.171 0.000 1.316 161 W CA 0.416 57.603 57.345 -0.263 0.000 1.537 161 W CB 0.274 29.422 29.460 -0.519 0.000 1.131 161 W HN 0.228 nan 8.180 nan 0.000 0.695 162 Q N -0.808 118.982 119.800 -0.017 0.000 2.352 162 Q HA 0.085 4.425 4.340 -0.000 0.000 0.212 162 Q C 0.576 176.536 176.000 -0.066 0.000 0.888 162 Q CA 0.484 56.182 55.803 -0.174 0.000 0.934 162 Q CB 0.175 28.496 28.738 -0.695 0.000 1.093 162 Q HN 0.216 nan 8.270 nan 0.000 0.523 163 N N 1.018 119.701 118.700 -0.027 0.000 2.610 163 N HA 0.149 4.889 4.740 -0.000 0.000 0.309 163 N C -0.858 174.665 175.510 0.022 0.000 1.536 163 N CA 0.185 53.239 53.050 0.006 0.000 0.954 163 N CB 1.700 40.176 38.487 -0.018 0.000 1.310 163 N HN -0.026 nan 8.380 nan 0.000 0.502 164 V N -2.773 117.176 119.914 0.057 0.000 3.049 164 V HA 0.494 4.614 4.120 -0.000 0.000 0.309 164 V C -0.369 175.796 176.094 0.118 0.000 1.148 164 V CA -1.211 61.130 62.300 0.068 0.000 0.990 164 V CB 2.395 34.249 31.823 0.052 0.000 1.039 164 V HN -0.083 nan 8.190 nan 0.000 0.430 165 K N 1.854 122.327 120.400 0.121 0.000 2.339 165 K HA 0.548 4.868 4.320 -0.000 0.000 0.286 165 K C -0.866 175.839 176.600 0.174 0.000 1.050 165 K CA -0.322 56.054 56.287 0.147 0.000 0.956 165 K CB 1.615 34.200 32.500 0.142 0.000 0.990 165 K HN 0.587 nan 8.250 nan 0.000 0.475 166 V N 5.935 125.983 119.914 0.223 0.000 2.370 166 V HA 0.333 4.453 4.120 -0.000 0.000 0.279 166 V C 0.036 176.271 176.094 0.235 0.000 1.029 166 V CA -0.608 61.834 62.300 0.236 0.000 0.870 166 V CB 0.895 32.901 31.823 0.304 0.000 0.984 166 V HN 0.611 nan 8.190 nan 0.000 0.451 167 I N 5.392 125.977 120.570 0.025 0.000 2.418 167 I HA 0.405 4.575 4.170 -0.000 0.000 0.287 167 I C -0.858 175.162 176.117 -0.160 0.000 1.008 167 I CA -0.340 60.926 61.300 -0.057 0.000 1.104 167 I CB 1.778 39.616 38.000 -0.270 0.000 1.264 167 I HN 0.541 nan 8.210 nan 0.000 0.438 168 F N 6.048 125.961 119.950 -0.061 0.000 2.361 168 F HA 0.354 4.881 4.527 -0.001 0.000 0.364 168 F C 0.440 176.157 175.800 -0.138 0.000 1.120 168 F CA -0.220 57.736 58.000 -0.073 0.000 1.102 168 F CB 1.155 40.293 39.000 0.229 0.000 1.183 168 F HN 0.346 nan 8.300 nan 0.000 0.476 169 S N 5.373 120.642 115.700 -0.719 0.000 2.665 169 S HA 0.467 4.937 4.470 -0.000 0.000 0.230 169 S C 0.435 174.599 174.600 -0.725 0.000 1.326 169 S CA -0.386 57.482 58.200 -0.553 0.000 1.055 169 S CB -0.536 62.519 63.200 -0.243 0.000 1.178 169 S HN 0.932 nan 8.310 nan 0.000 0.489 170 G N 1.819 109.968 108.800 -1.084 0.000 2.553 170 G HA2 0.219 4.178 3.960 -0.000 0.000 0.278 170 G HA3 0.219 4.178 3.960 -0.000 0.000 0.278 170 G C 0.537 175.293 174.900 -0.241 0.000 1.349 170 G CA -0.262 44.361 45.100 -0.795 0.000 1.037 170 G HN 0.942 nan 8.290 nan 0.000 0.508 171 H N -2.087 117.005 119.070 0.037 0.000 2.547 171 H HA 0.124 4.680 4.556 -0.000 0.000 0.272 171 H C 1.684 177.088 175.328 0.128 0.000 0.989 171 H CA 1.224 57.340 56.048 0.112 0.000 1.214 171 H CB 0.102 29.972 29.762 0.180 0.000 1.389 171 H HN 0.447 nan 8.280 nan 0.000 0.577 172 E N 0.662 120.691 120.200 -0.285 0.000 2.333 172 E HA 0.008 4.357 4.350 -0.000 0.000 0.198 172 E C -0.081 176.560 176.600 0.069 0.000 1.007 172 E CA 0.673 57.030 56.400 -0.071 0.000 0.845 172 E CB 0.222 29.836 29.700 -0.144 0.000 0.766 172 E HN 0.349 nan 8.360 nan 0.000 0.507 173 V N 2.232 122.152 119.914 0.011 0.000 2.398 173 V HA 0.272 4.392 4.120 -0.000 0.000 0.286 173 V C -2.337 173.768 176.094 0.019 0.000 1.026 173 V CA -2.348 59.946 62.300 -0.012 0.000 0.868 173 V CB 1.608 33.415 31.823 -0.026 0.000 0.982 173 V HN -0.071 nan 8.190 nan 0.000 0.443 174 P HA 0.480 nan 4.420 nan 0.000 0.271 174 P C 0.209 177.662 177.300 0.255 0.000 1.218 174 P CA 0.673 63.769 63.100 -0.007 0.000 0.780 174 P CB 0.741 32.189 31.700 -0.420 0.000 0.901 175 G N 0.710 109.736 108.800 0.377 0.000 2.525 175 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.685 175 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.685 175 G C -1.115 173.939 174.900 0.256 0.000 1.285 175 G CA -0.914 44.383 45.100 0.329 0.000 0.849 175 G HN 0.462 nan 8.290 nan 0.000 0.653 176 E N 0.234 120.581 120.200 0.245 0.000 2.392 176 E HA 0.361 4.711 4.350 -0.000 0.000 0.264 176 E C 1.762 178.506 176.600 0.240 0.000 1.024 176 E CA 0.401 56.950 56.400 0.248 0.000 0.903 176 E CB 0.912 30.787 29.700 0.292 0.000 0.963 176 E HN 0.833 nan 8.360 nan 0.000 0.432 177 G N 2.480 111.404 108.800 0.206 0.000 2.553 177 G HA2 -0.396 3.563 3.960 -0.000 0.000 0.218 177 G HA3 -0.396 3.563 3.960 -0.000 0.000 0.218 177 G C 1.331 176.334 174.900 0.171 0.000 1.195 177 G CA 1.209 46.427 45.100 0.195 0.000 0.779 177 G HN 0.635 nan 8.290 nan 0.000 0.577 178 Q N -0.565 119.333 119.800 0.163 0.000 2.118 178 Q HA -0.323 4.017 4.340 -0.000 0.000 0.211 178 Q C 2.266 178.318 176.000 0.085 0.000 0.998 178 Q CA 2.501 58.381 55.803 0.128 0.000 0.872 178 Q CB -0.290 28.555 28.738 0.179 0.000 0.925 178 Q HN 0.839 nan 8.270 nan 0.000 0.414 179 H N -0.834 118.244 119.070 0.013 0.000 2.482 179 H HA 0.105 4.661 4.556 -0.001 0.000 0.286 179 H C 1.657 176.901 175.328 -0.140 0.000 1.017 179 H CA 1.004 56.958 56.048 -0.157 0.000 1.322 179 H CB 0.353 29.970 29.762 -0.242 0.000 1.426 179 H HN 0.053 nan 8.280 nan 0.000 0.546 180 K N 0.039 120.477 120.400 0.063 0.000 2.186 180 K HA 0.014 4.334 4.320 -0.000 0.000 0.202 180 K C 1.886 178.457 176.600 -0.049 0.000 1.052 180 K CA 0.805 57.136 56.287 0.074 0.000 0.965 180 K CB 0.237 32.864 32.500 0.213 0.000 0.746 180 K HN 0.342 nan 8.250 nan 0.000 0.457 181 I N 0.912 121.415 120.570 -0.112 0.000 2.142 181 I HA -0.299 3.871 4.170 -0.000 0.000 0.240 181 I C 2.298 178.187 176.117 -0.379 0.000 1.078 181 I CA 0.972 62.067 61.300 -0.341 0.000 1.343 181 I CB -0.209 37.646 38.000 -0.242 0.000 1.046 181 I HN 0.145 nan 8.210 nan 0.000 0.405 182 M N -0.016 119.374 119.600 -0.351 0.000 2.144 182 M HA -0.263 4.217 4.480 -0.000 0.000 0.260 182 M C 1.797 177.834 176.300 -0.439 0.000 1.067 182 M CA 1.741 56.796 55.300 -0.409 0.000 1.095 182 M CB -1.349 30.996 32.600 -0.425 0.000 1.365 182 M HN 0.178 nan 8.290 nan 0.000 0.406 183 D N -1.338 118.798 120.400 -0.440 0.000 2.269 183 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 183 D C 1.780 177.970 176.300 -0.184 0.000 0.963 183 D CA 0.567 54.353 54.000 -0.358 0.000 0.864 183 D CB 0.019 40.624 40.800 -0.324 0.000 0.936 183 D HN 0.406 nan 8.370 nan 0.000 0.505 184 Y N 0.555 120.682 120.300 -0.289 0.000 2.176 184 Y HA 0.012 4.562 4.550 -0.001 0.000 0.291 184 Y C 2.072 177.853 175.900 -0.197 0.000 1.122 184 Y CA 1.110 59.088 58.100 -0.203 0.000 1.128 184 Y CB -0.318 37.947 38.460 -0.326 0.000 1.005 184 Y HN -0.138 nan 8.280 nan 0.000 0.509 185 I N 0.246 120.671 120.570 -0.240 0.000 2.248 185 I HA -0.364 3.806 4.170 -0.000 0.000 0.248 185 I C 2.666 178.551 176.117 -0.387 0.000 1.107 185 I CA 1.664 62.785 61.300 -0.299 0.000 1.373 185 I CB -0.368 37.412 38.000 -0.368 0.000 1.055 185 I HN 0.175 nan 8.210 nan 0.000 0.418 186 R N 0.261 120.517 120.500 -0.407 0.000 2.115 186 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 186 R C 2.308 178.402 176.300 -0.343 0.000 1.100 186 R CA 1.185 57.011 56.100 -0.456 0.000 0.980 186 R CB -0.126 29.795 30.300 -0.631 0.000 0.875 186 R HN 0.376 nan 8.270 nan 0.000 0.445 187 A N 0.968 123.608 122.820 -0.301 0.000 1.970 187 A HA -0.077 4.242 4.320 -0.000 0.000 0.216 187 A C 2.009 179.430 177.584 -0.270 0.000 1.170 187 A CA 0.997 52.918 52.037 -0.194 0.000 0.645 187 A CB -0.306 18.605 19.000 -0.148 0.000 0.816 187 A HN 0.442 nan 8.150 nan 0.000 0.447 188 I N -1.684 118.631 120.570 -0.425 0.000 2.480 188 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 188 I C 2.145 177.946 176.117 -0.526 0.000 1.124 188 I CA 1.157 62.230 61.300 -0.379 0.000 1.444 188 I CB -0.362 37.426 38.000 -0.352 0.000 1.098 188 I HN 0.273 nan 8.210 nan 0.000 0.428 189 R N 2.159 122.167 120.500 -0.821 0.000 2.237 189 R HA 0.159 4.499 4.340 -0.000 0.000 0.219 189 R C 2.057 178.009 176.300 -0.581 0.000 1.080 189 R CA 1.055 56.324 56.100 -1.386 0.000 0.995 189 R CB -0.683 28.941 30.300 -1.127 0.000 0.875 189 R HN 0.430 nan 8.270 nan 0.000 0.462 190 A N 1.186 123.807 122.820 -0.332 0.000 2.016 190 A HA -0.007 4.312 4.320 -0.000 0.000 0.217 190 A C 0.874 178.406 177.584 -0.087 0.000 1.162 190 A CA 0.335 52.285 52.037 -0.145 0.000 0.662 190 A CB -0.038 18.936 19.000 -0.042 0.000 0.812 190 A HN 0.189 nan 8.150 nan 0.000 0.450 191 Q N 0.102 119.852 119.800 -0.084 0.000 2.839 191 Q HA 0.030 4.370 4.340 -0.000 0.000 0.229 191 Q C 0.082 176.099 176.000 0.028 0.000 1.140 191 Q CA 0.430 56.224 55.803 -0.016 0.000 1.077 191 Q CB 0.100 28.844 28.738 0.010 0.000 1.335 191 Q HN 0.546 nan 8.270 nan 0.000 0.610 192 E N 1.057 121.278 120.200 0.034 0.000 3.582 192 E HA 0.080 4.429 4.350 -0.000 0.000 0.217 192 E C -0.773 175.855 176.600 0.048 0.000 1.092 192 E CA 0.141 56.566 56.400 0.041 0.000 1.365 192 E CB -0.061 29.650 29.700 0.019 0.000 1.278 192 E HN 0.623 nan 8.360 nan 0.000 0.439 193 D N -0.683 119.763 120.400 0.077 0.000 2.788 193 D HA -0.124 4.515 4.640 -0.000 0.000 0.447 193 D C 0.056 176.414 176.300 0.097 0.000 1.215 193 D CA -0.456 53.581 54.000 0.061 0.000 1.028 193 D CB -1.023 39.802 40.800 0.042 0.000 1.694 193 D HN 0.080 nan 8.370 nan 0.000 0.352 194 Y N 3.883 124.179 120.300 -0.007 0.000 2.712 194 Y HA 0.082 4.631 4.550 -0.001 0.000 0.333 194 Y C 0.617 176.516 175.900 -0.002 0.000 1.225 194 Y CA -0.136 57.962 58.100 -0.002 0.000 1.499 194 Y CB 0.344 38.807 38.460 0.004 0.000 1.288 194 Y HN 0.007 nan 8.280 nan 0.000 0.575 195 N N 8.676 127.146 118.700 -0.383 0.000 2.431 195 N HA 0.038 4.778 4.740 -0.000 0.000 0.265 195 N C -1.834 173.231 175.510 -0.743 0.000 1.184 195 N CA -1.192 51.600 53.050 -0.430 0.000 0.943 195 N CB 1.065 39.368 38.487 -0.307 0.000 1.080 195 N HN 0.487 nan 8.380 nan 0.000 0.477 196 P HA -0.107 nan 4.420 nan 0.000 0.219 196 P C -0.292 176.886 177.300 -0.203 0.000 1.146 196 P CA 1.232 64.169 63.100 -0.272 0.000 0.808 196 P CB 0.250 31.887 31.700 -0.106 0.000 0.779 197 N N -0.534 118.027 118.700 -0.233 0.000 2.541 197 N HA 0.083 4.823 4.740 -0.000 0.000 0.297 197 N C -0.310 175.024 175.510 -0.293 0.000 1.503 197 N CA 0.076 53.023 53.050 -0.172 0.000 0.919 197 N CB 0.262 38.622 38.487 -0.212 0.000 1.305 197 N HN -0.027 nan 8.380 nan 0.000 0.501 198 T N 1.415 115.791 114.554 -0.297 0.000 2.888 198 T HA 0.134 4.484 4.350 -0.000 0.000 0.301 198 T C 0.805 175.333 174.700 -0.287 0.000 1.001 198 T CA 0.174 62.076 62.100 -0.331 0.000 1.147 198 T CB 0.726 69.364 68.868 -0.383 0.000 0.931 198 T HN 0.049 nan 8.240 nan 0.000 0.541 199 R N 2.997 123.338 120.500 -0.266 0.000 2.202 199 R HA 0.318 4.658 4.340 -0.000 0.000 0.334 199 R C -0.424 175.888 176.300 0.020 0.000 1.036 199 R CA -0.407 55.650 56.100 -0.072 0.000 0.878 199 R CB 0.399 30.677 30.300 -0.035 0.000 1.067 199 R HN 0.684 nan 8.270 nan 0.000 0.457 200 H N 0.465 119.585 119.070 0.084 0.000 2.472 200 H HA 0.393 4.948 4.556 -0.000 0.000 0.338 200 H C -0.844 174.312 175.328 -0.286 0.000 1.133 200 H CA -0.448 55.450 56.048 -0.250 0.000 1.216 200 H CB 1.678 30.754 29.762 -1.143 0.000 1.497 200 H HN 0.491 nan 8.280 nan 0.000 0.500 201 C N 5.718 124.953 119.300 -0.108 0.000 2.446 201 C HA 0.539 4.999 4.460 -0.000 0.000 0.329 201 C C -0.891 174.169 174.990 0.117 0.000 1.166 201 C CA -0.583 58.312 59.018 -0.206 0.000 1.341 201 C CB -1.014 26.266 27.740 -0.766 0.000 1.970 201 C HN 0.800 nan 8.230 nan 0.000 0.452 202 I N 6.415 127.131 120.570 0.244 0.000 2.355 202 I HA 0.274 4.444 4.170 -0.000 0.000 0.288 202 I C -0.504 175.763 176.117 0.250 0.000 0.999 202 I CA -0.511 60.983 61.300 0.322 0.000 1.163 202 I CB 1.025 39.210 38.000 0.309 0.000 1.316 202 I HN 0.696 nan 8.210 nan 0.000 0.454 203 Y N 6.635 127.044 120.300 0.182 0.000 2.309 203 Y HA 0.697 5.247 4.550 -0.000 0.000 0.327 203 Y C 0.302 176.313 175.900 0.185 0.000 1.172 203 Y CA -0.155 58.054 58.100 0.181 0.000 1.280 203 Y CB 1.279 39.858 38.460 0.198 0.000 1.234 203 Y HN 0.610 nan 8.280 nan 0.000 0.512 204 G N 4.721 112.952 108.800 -0.949 0.000 2.386 204 G HA2 0.112 4.072 3.960 -0.000 0.000 0.302 204 G HA3 0.112 4.072 3.960 -0.000 0.000 0.302 204 G C -0.826 173.817 174.900 -0.429 0.000 1.629 204 G CA -0.648 44.057 45.100 -0.659 0.000 0.917 204 G HN 0.783 nan 8.290 nan 0.000 0.676 205 L N -0.027 121.029 121.223 -0.280 0.000 2.341 205 L HA 0.162 4.502 4.340 -0.000 0.000 0.214 205 L C 1.000 177.805 176.870 -0.108 0.000 1.115 205 L CA 0.137 54.885 54.840 -0.155 0.000 0.820 205 L CB 0.013 42.021 42.059 -0.085 0.000 0.944 205 L HN 0.464 nan 8.230 nan 0.000 0.452 206 D N 0.825 121.179 120.400 -0.078 0.000 2.371 206 D HA 0.101 4.740 4.640 -0.000 0.000 0.256 206 D C 1.031 177.325 176.300 -0.011 0.000 1.193 206 D CA 0.339 54.320 54.000 -0.032 0.000 0.881 206 D CB 1.807 42.601 40.800 -0.010 0.000 1.143 206 D HN 0.096 nan 8.370 nan 0.000 0.473 207 A N 4.316 127.153 122.820 0.028 0.000 2.131 207 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 207 A C 1.656 179.295 177.584 0.091 0.000 1.158 207 A CA 1.118 53.230 52.037 0.125 0.000 0.665 207 A CB -0.100 19.071 19.000 0.286 0.000 0.795 207 A HN 0.587 nan 8.150 nan 0.000 0.460 208 D N 0.103 120.505 120.400 0.003 0.000 2.218 208 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 208 D C 1.787 178.034 176.300 -0.087 0.000 0.976 208 D CA 0.813 54.771 54.000 -0.070 0.000 0.853 208 D CB -0.269 40.526 40.800 -0.008 0.000 0.939 208 D HN 0.506 nan 8.370 nan 0.000 0.481 209 L N 0.461 121.660 121.223 -0.040 0.000 2.127 209 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 209 L C 2.357 179.180 176.870 -0.078 0.000 1.089 209 L CA 0.538 55.343 54.840 -0.058 0.000 0.757 209 L CB -0.333 41.718 42.059 -0.014 0.000 0.899 209 L HN 0.037 nan 8.230 nan 0.000 0.434 210 I N -0.189 120.383 120.570 0.004 0.000 2.208 210 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 210 I C 2.357 178.428 176.117 -0.076 0.000 1.097 210 I CA 1.587 62.911 61.300 0.040 0.000 1.363 210 I CB -0.339 37.807 38.000 0.243 0.000 1.051 210 I HN 0.158 nan 8.210 nan 0.000 0.413 211 I N 0.539 121.018 120.570 -0.152 0.000 2.163 211 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 211 I C 2.490 178.391 176.117 -0.360 0.000 1.081 211 I CA 1.482 62.586 61.300 -0.327 0.000 1.353 211 I CB -0.480 37.163 38.000 -0.594 0.000 1.054 211 I HN 0.164 nan 8.210 nan 0.000 0.407 212 L N 0.789 121.813 121.223 -0.331 0.000 2.043 212 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 212 L C 2.752 179.349 176.870 -0.454 0.000 1.075 212 L CA 1.730 56.353 54.840 -0.362 0.000 0.752 212 L CB -1.636 40.249 42.059 -0.290 0.000 0.891 212 L HN 0.351 nan 8.230 nan 0.000 0.432 213 G N 0.728 109.233 108.800 -0.491 0.000 2.586 213 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 213 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 213 G C 1.603 176.063 174.900 -0.733 0.000 1.216 213 G CA 1.149 45.733 45.100 -0.860 0.000 0.786 213 G HN 0.261 nan 8.290 nan 0.000 0.583 214 L N 1.457 122.411 121.223 -0.448 0.000 2.013 214 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 214 L C 3.340 179.921 176.870 -0.482 0.000 1.073 214 L CA 1.805 56.428 54.840 -0.362 0.000 0.753 214 L CB -0.672 41.267 42.059 -0.199 0.000 0.890 214 L HN 0.481 nan 8.230 nan 0.000 0.432 215 S N -0.996 114.431 115.700 -0.455 0.000 2.420 215 S HA -0.230 4.239 4.470 -0.000 0.000 0.237 215 S C 1.925 176.293 174.600 -0.387 0.000 1.023 215 S CA 1.683 59.597 58.200 -0.477 0.000 0.991 215 S CB -1.078 61.738 63.200 -0.640 0.000 0.792 215 S HN 0.646 nan 8.310 nan 0.000 0.488 216 T N -1.900 112.420 114.554 -0.389 0.000 3.055 216 T HA -0.020 4.330 4.350 -0.000 0.000 0.265 216 T C 0.517 175.236 174.700 0.032 0.000 1.111 216 T CA 0.638 62.620 62.100 -0.197 0.000 1.118 216 T CB -1.017 67.725 68.868 -0.211 0.000 0.909 216 T HN 0.663 nan 8.240 nan 0.000 0.501 217 H N 1.678 120.718 119.070 -0.051 0.000 2.592 217 H HA -0.102 4.453 4.556 -0.000 0.000 0.323 217 H C -1.133 174.269 175.328 0.125 0.000 1.117 217 H CA 0.876 56.954 56.048 0.050 0.000 1.120 217 H CB -1.837 27.961 29.762 0.060 0.000 1.561 217 H HN 0.562 nan 8.280 nan 0.000 0.409 218 D N 0.135 120.668 120.400 0.221 0.000 2.425 218 D HA 0.073 4.713 4.640 -0.000 0.000 0.240 218 D C 1.258 177.741 176.300 0.304 0.000 1.080 218 D CA -0.469 53.741 54.000 0.351 0.000 0.836 218 D CB 0.949 42.071 40.800 0.537 0.000 1.125 218 D HN 0.449 nan 8.370 nan 0.000 0.525 219 H N 2.476 121.619 119.070 0.121 0.000 2.353 219 H HA -0.100 4.456 4.556 -0.001 0.000 0.300 219 H C 0.012 175.278 175.328 -0.104 0.000 1.090 219 H CA 1.052 57.073 56.048 -0.045 0.000 1.327 219 H CB 0.531 30.163 29.762 -0.216 0.000 1.383 219 H HN 0.430 nan 8.280 nan 0.000 0.508 220 H N -0.579 118.486 119.070 -0.009 0.000 2.982 220 H HA 0.078 4.634 4.556 -0.000 0.000 0.261 220 H C -1.123 174.283 175.328 0.129 0.000 1.603 220 H CA 0.026 55.899 56.048 -0.291 0.000 1.398 220 H CB -0.806 28.561 29.762 -0.658 0.000 1.693 220 H HN 0.128 nan 8.280 nan 0.000 0.535 221 F N 1.684 121.772 119.950 0.228 0.000 2.607 221 F HA 0.273 4.800 4.527 -0.000 0.000 0.322 221 F C -0.899 175.077 175.800 0.293 0.000 1.176 221 F CA -0.917 57.273 58.000 0.318 0.000 0.977 221 F CB 1.028 40.131 39.000 0.171 0.000 1.242 221 F HN 0.304 nan 8.300 nan 0.000 0.465 222 C N 4.911 124.556 119.300 0.575 0.000 2.667 222 C HA 0.767 5.227 4.460 -0.000 0.000 0.323 222 C C -0.612 174.541 174.990 0.271 0.000 1.214 222 C CA -1.089 58.114 59.018 0.309 0.000 1.721 222 C CB 1.778 29.567 27.740 0.082 0.000 2.275 222 C HN 0.664 nan 8.230 nan 0.000 0.491 223 L N 2.361 123.695 121.223 0.186 0.000 2.305 223 L HA 0.445 4.784 4.340 -0.000 0.000 0.284 223 L C -0.407 176.548 176.870 0.142 0.000 1.013 223 L CA -0.374 54.565 54.840 0.165 0.000 0.819 223 L CB 0.966 43.118 42.059 0.154 0.000 1.227 223 L HN 0.421 nan 8.230 nan 0.000 0.417 224 L N 5.107 126.422 121.223 0.154 0.000 2.369 224 L HA 0.354 4.693 4.340 -0.000 0.000 0.279 224 L C -0.036 177.030 176.870 0.327 0.000 1.108 224 L CA 0.638 55.634 54.840 0.260 0.000 0.852 224 L CB -0.197 42.039 42.059 0.295 0.000 1.169 224 L HN 0.551 nan 8.230 nan 0.000 0.452 225 R N 3.601 124.327 120.500 0.376 0.000 2.919 225 R HA 0.639 4.978 4.340 -0.000 0.000 0.260 225 R C -0.903 175.650 176.300 0.422 0.000 1.067 225 R CA -0.904 55.366 56.100 0.284 0.000 1.003 225 R CB 1.814 32.182 30.300 0.113 0.000 1.192 225 R HN 0.597 nan 8.270 nan 0.000 0.488 226 E N 0.777 121.104 120.200 0.211 0.000 2.263 226 E HA 0.214 4.564 4.350 -0.000 0.000 0.264 226 E C -0.819 175.820 176.600 0.065 0.000 0.923 226 E CA -0.922 55.493 56.400 0.026 0.000 0.802 226 E CB 1.662 31.316 29.700 -0.077 0.000 1.228 226 E HN 0.374 nan 8.360 nan 0.000 0.417 227 E N 0.569 120.833 120.200 0.106 0.000 2.459 227 E HA 0.030 4.380 4.350 -0.000 0.000 0.264 227 E C -0.836 175.772 176.600 0.013 0.000 1.055 227 E CA 0.455 56.943 56.400 0.147 0.000 0.957 227 E CB 0.759 30.566 29.700 0.179 0.000 0.952 227 E HN 0.143 nan 8.360 nan 0.000 0.448 228 V N 3.627 123.544 119.914 0.004 0.000 2.516 228 V HA 0.069 4.188 4.120 -0.000 0.000 0.271 228 V C 0.073 176.170 176.094 0.006 0.000 0.992 228 V CA -0.723 61.561 62.300 -0.028 0.000 0.857 228 V CB 1.268 33.027 31.823 -0.108 0.000 1.047 228 V HN 0.705 nan 8.190 nan 0.000 0.455 240 L N 1.104 122.272 121.223 -0.091 0.000 2.083 240 L HA 0.176 4.516 4.340 -0.000 0.000 0.209 240 L C 2.260 178.974 176.870 -0.260 0.000 1.083 240 L CA 2.050 56.751 54.840 -0.232 0.000 0.752 240 L CB -0.820 41.005 42.059 -0.391 0.000 0.899 240 L HN 0.845 nan 8.230 nan 0.000 0.433 241 E N -1.558 118.551 120.200 -0.152 0.000 2.427 241 E HA -0.052 4.298 4.350 -0.000 0.000 0.196 241 E C 1.600 178.224 176.600 0.040 0.000 1.028 241 E CA 1.064 57.442 56.400 -0.038 0.000 0.864 241 E CB -0.216 29.485 29.700 0.002 0.000 0.813 241 E HN 0.597 nan 8.360 nan 0.000 0.514 242 T N -3.085 111.485 114.554 0.027 0.000 3.085 242 T HA 0.199 4.549 4.350 -0.000 0.000 0.264 242 T C 0.657 175.375 174.700 0.030 0.000 1.019 242 T CA -0.456 61.665 62.100 0.036 0.000 0.910 242 T CB 0.210 69.096 68.868 0.029 0.000 1.059 242 T HN -0.109 nan 8.240 nan 0.000 0.542 243 Q N 1.665 121.487 119.800 0.037 0.000 2.306 243 Q HA 0.347 4.686 4.340 -0.000 0.000 0.241 243 Q C -0.550 175.437 176.000 -0.021 0.000 0.948 243 Q CA -0.557 55.228 55.803 -0.029 0.000 0.886 243 Q CB 0.597 29.278 28.738 -0.096 0.000 1.227 243 Q HN 0.266 nan 8.270 nan 0.000 0.457 244 N N 1.453 120.066 118.700 -0.145 0.000 2.438 244 N HA 0.413 5.152 4.740 -0.000 0.000 0.282 244 N C -1.274 174.057 175.510 -0.298 0.000 1.037 244 N CA 0.075 53.040 53.050 -0.141 0.000 0.942 244 N CB 0.766 39.197 38.487 -0.093 0.000 1.136 244 N HN 0.302 nan 8.380 nan 0.000 0.481 245 F N 0.931 120.824 119.950 -0.097 0.000 2.611 245 F HA 0.596 5.123 4.527 -0.000 0.000 0.324 245 F C -0.367 175.296 175.800 -0.229 0.000 1.061 245 F CA -0.733 57.287 58.000 0.033 0.000 0.954 245 F CB 1.441 40.505 39.000 0.105 0.000 1.301 245 F HN 0.232 nan 8.300 nan 0.000 0.482 246 F N 1.153 121.292 119.950 0.316 0.000 2.588 246 F HA 0.587 5.113 4.527 -0.000 0.000 0.310 246 F C -0.944 174.976 175.800 0.200 0.000 1.082 246 F CA -0.860 57.271 58.000 0.219 0.000 0.929 246 F CB 1.822 40.941 39.000 0.198 0.000 1.254 246 F HN 0.051 nan 8.300 nan 0.000 0.455 247 L N 3.716 125.160 121.223 0.368 0.000 2.272 247 L HA 0.480 4.820 4.340 -0.000 0.000 0.289 247 L C -0.693 176.347 176.870 0.284 0.000 1.032 247 L CA -0.623 54.352 54.840 0.225 0.000 0.810 247 L CB 1.540 43.675 42.059 0.126 0.000 1.205 247 L HN 0.478 nan 8.230 nan 0.000 0.422 248 L N 3.911 125.262 121.223 0.213 0.000 2.276 248 L HA 0.356 4.696 4.340 -0.000 0.000 0.286 248 L C -0.432 176.546 176.870 0.180 0.000 1.061 248 L CA -0.324 54.667 54.840 0.252 0.000 0.807 248 L CB 0.457 42.664 42.059 0.248 0.000 1.177 248 L HN 0.541 nan 8.230 nan 0.000 0.429 249 H N 6.990 126.216 119.070 0.259 0.000 2.581 249 H HA 0.193 4.748 4.556 -0.001 0.000 0.308 249 H C 0.686 176.113 175.328 0.164 0.000 1.040 249 H CA -0.374 55.822 56.048 0.247 0.000 1.231 249 H CB 1.929 31.826 29.762 0.226 0.000 1.396 249 H HN 0.718 nan 8.280 nan 0.000 0.467 250 L N 2.132 123.497 121.223 0.238 0.000 2.465 250 L HA -0.144 4.196 4.340 -0.000 0.000 0.224 250 L C 2.313 179.190 176.870 0.011 0.000 1.145 250 L CA 0.783 55.691 54.840 0.115 0.000 0.834 250 L CB -0.099 41.999 42.059 0.065 0.000 0.944 250 L HN 0.508 nan 8.230 nan 0.000 0.451 251 S N -0.129 115.550 115.700 -0.036 0.000 2.362 251 S HA -0.162 4.307 4.470 -0.000 0.000 0.221 251 S C 1.914 176.457 174.600 -0.094 0.000 1.032 251 S CA 0.544 58.529 58.200 -0.357 0.000 0.973 251 S CB -0.382 62.467 63.200 -0.586 0.000 0.849 251 S HN 0.395 nan 8.310 nan 0.000 0.465 252 I N 0.591 121.144 120.570 -0.029 0.000 2.439 252 I HA -0.036 4.134 4.170 -0.000 0.000 0.251 252 I C 2.267 178.443 176.117 0.098 0.000 1.139 252 I CA 0.702 61.984 61.300 -0.030 0.000 1.438 252 I CB -0.131 37.813 38.000 -0.093 0.000 1.085 252 I HN 0.302 nan 8.210 nan 0.000 0.427 253 L N 1.236 122.525 121.223 0.110 0.000 2.042 253 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 253 L C 2.492 179.353 176.870 -0.015 0.000 1.076 253 L CA 1.845 56.723 54.840 0.063 0.000 0.749 253 L CB -0.813 41.288 42.059 0.069 0.000 0.893 253 L HN 0.160 nan 8.230 nan 0.000 0.432 254 R N -0.685 119.829 120.500 0.023 0.000 2.092 254 R HA -0.154 4.185 4.340 -0.000 0.000 0.231 254 R C 2.206 178.417 176.300 -0.148 0.000 1.119 254 R CA 1.405 57.546 56.100 0.067 0.000 0.970 254 R CB -0.290 30.109 30.300 0.166 0.000 0.864 254 R HN 0.411 nan 8.270 nan 0.000 0.440 255 E N -0.174 119.931 120.200 -0.159 0.000 2.077 255 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 255 E C 1.495 177.895 176.600 -0.334 0.000 0.989 255 E CA 1.294 57.528 56.400 -0.277 0.000 0.800 255 E CB -0.049 29.502 29.700 -0.250 0.000 0.746 255 E HN 0.300 nan 8.360 nan 0.000 0.452 256 Y N 0.252 120.351 120.300 -0.336 0.000 2.145 256 Y HA -0.187 4.362 4.550 -0.001 0.000 0.286 256 Y C 2.053 177.554 175.900 -0.664 0.000 1.145 256 Y CA 1.211 59.016 58.100 -0.493 0.000 1.148 256 Y CB -0.227 37.851 38.460 -0.636 0.000 0.981 256 Y HN 0.064 nan 8.280 nan 0.000 0.507 257 L N -1.030 119.917 121.223 -0.459 0.000 2.079 257 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 257 L C 2.625 179.523 176.870 0.046 0.000 1.081 257 L CA 1.113 55.779 54.840 -0.291 0.000 0.752 257 L CB -0.819 41.324 42.059 0.140 0.000 0.896 257 L HN 0.250 nan 8.230 nan 0.000 0.433 258 A N -0.074 122.578 122.820 -0.281 0.000 1.933 258 A HA -0.159 4.160 4.320 -0.000 0.000 0.218 258 A C 2.223 179.755 177.584 -0.087 0.000 1.175 258 A CA 1.359 53.148 52.037 -0.413 0.000 0.628 258 A CB -0.545 17.964 19.000 -0.817 0.000 0.814 258 A HN 0.383 nan 8.150 nan 0.000 0.444 259 L N -1.198 119.928 121.223 -0.162 0.000 2.109 259 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 259 L C 2.575 179.397 176.870 -0.080 0.000 1.086 259 L CA 1.465 56.240 54.840 -0.108 0.000 0.760 259 L CB -0.392 41.595 42.059 -0.121 0.000 0.910 259 L HN 0.446 nan 8.230 nan 0.000 0.437 260 E N 0.405 120.503 120.200 -0.171 0.000 2.110 260 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 260 E C 1.539 177.918 176.600 -0.367 0.000 0.988 260 E CA 1.771 57.980 56.400 -0.317 0.000 0.804 260 E CB 0.027 29.357 29.700 -0.617 0.000 0.745 260 E HN 0.409 nan 8.360 nan 0.000 0.458 261 F N -0.116 119.903 119.950 0.114 0.000 2.724 261 F HA 0.215 4.742 4.527 -0.000 0.000 0.306 261 F C 1.723 177.634 175.800 0.185 0.000 1.100 261 F CA 0.330 58.433 58.000 0.171 0.000 1.255 261 F CB -0.020 39.139 39.000 0.264 0.000 1.072 261 F HN 0.100 nan 8.300 nan 0.000 0.589 262 E N 1.487 121.824 120.200 0.228 0.000 2.058 262 E HA -0.328 4.021 4.350 -0.000 0.000 0.194 262 E C 1.788 178.339 176.600 -0.081 0.000 0.997 262 E CA 1.706 58.095 56.400 -0.019 0.000 0.801 262 E CB -1.044 28.618 29.700 -0.062 0.000 0.746 262 E HN 0.617 nan 8.360 nan 0.000 0.450 263 E N 1.370 121.561 120.200 -0.014 0.000 2.395 263 E HA -0.301 4.049 4.350 -0.000 0.000 0.214 263 E C 1.654 178.234 176.600 -0.032 0.000 1.076 263 E CA 1.841 58.230 56.400 -0.019 0.000 0.855 263 E CB -0.451 29.255 29.700 0.009 0.000 0.745 263 E HN 0.569 nan 8.360 nan 0.000 0.485 264 I N -0.105 120.452 120.570 -0.022 0.000 4.229 264 I HA -0.115 4.055 4.170 -0.000 0.000 0.228 264 I C 1.851 177.867 176.117 -0.169 0.000 0.998 264 I CA 0.876 62.148 61.300 -0.047 0.000 1.530 264 I CB -0.693 37.334 38.000 0.046 0.000 1.406 264 I HN 0.097 nan 8.210 nan 0.000 0.449 265 T N 0.278 114.641 114.554 -0.317 0.000 12.124 265 T HA -0.377 3.973 4.350 -0.000 0.000 0.419 265 T C 1.185 175.750 174.700 -0.226 0.000 1.441 265 T CA 2.230 64.032 62.100 -0.496 0.000 2.392 265 T CB -1.628 66.843 68.868 -0.662 0.000 2.864 265 T HN 0.355 nan 8.240 nan 0.000 0.867 266 D N 1.146 121.435 120.400 -0.185 0.000 2.144 266 D HA -0.017 4.622 4.640 -0.000 0.000 0.199 266 D C 2.425 178.646 176.300 -0.131 0.000 0.984 266 D CA 1.731 55.650 54.000 -0.135 0.000 0.834 266 D CB -0.491 40.244 40.800 -0.108 0.000 0.955 266 D HN 0.749 nan 8.370 nan 0.000 0.465 267 S N 0.048 115.669 115.700 -0.133 0.000 2.446 267 S HA -0.022 4.447 4.470 -0.000 0.000 0.225 267 S C 1.223 175.691 174.600 -0.220 0.000 1.016 267 S CA 0.059 58.171 58.200 -0.146 0.000 0.943 267 S CB -0.720 62.411 63.200 -0.116 0.000 0.786 267 S HN 0.147 nan 8.310 nan 0.000 0.508 268 V N 0.760 120.495 119.914 -0.299 0.000 2.740 268 V HA 0.310 4.430 4.120 -0.000 0.000 0.303 268 V C 0.418 176.144 176.094 -0.613 0.000 1.054 268 V CA -0.444 61.525 62.300 -0.552 0.000 1.106 268 V CB 0.475 31.720 31.823 -0.963 0.000 0.957 268 V HN 0.367 nan 8.190 nan 0.000 0.486 269 Q N 3.825 123.328 119.800 -0.495 0.000 2.265 269 Q HA 0.372 4.711 4.340 -0.000 0.000 0.217 269 Q C -0.527 175.423 176.000 -0.084 0.000 0.916 269 Q CA 0.275 55.955 55.803 -0.205 0.000 0.948 269 Q CB -0.251 28.480 28.738 -0.011 0.000 1.020 269 Q HN 0.887 nan 8.270 nan 0.000 0.462 270 F N -3.438 116.459 119.950 -0.088 0.000 2.950 270 F HA 0.383 4.910 4.527 -0.001 0.000 0.327 270 F C -0.499 175.288 175.800 -0.022 0.000 1.197 270 F CA -1.753 56.199 58.000 -0.080 0.000 0.954 270 F CB 0.799 39.697 39.000 -0.171 0.000 1.442 270 F HN -0.285 nan 8.300 nan 0.000 0.509 271 E N 1.233 121.578 120.200 0.243 0.000 2.081 271 E HA 0.065 4.415 4.350 -0.000 0.000 0.270 271 E C -1.172 175.627 176.600 0.332 0.000 1.180 271 E CA -0.449 56.074 56.400 0.205 0.000 0.926 271 E CB 0.115 29.924 29.700 0.181 0.000 1.035 271 E HN 0.619 nan 8.360 nan 0.000 0.418 272 Y N 4.755 125.102 120.300 0.078 0.000 2.717 272 Y HA -0.059 4.491 4.550 -0.001 0.000 0.330 272 Y C -0.277 175.762 175.900 0.232 0.000 1.217 272 Y CA 0.836 59.034 58.100 0.163 0.000 1.506 272 Y CB 0.540 39.018 38.460 0.031 0.000 1.268 272 Y HN 0.495 nan 8.280 nan 0.000 0.561 273 D N 5.983 126.296 120.400 -0.145 0.000 2.890 273 D HA -0.028 4.611 4.640 -0.000 0.000 0.233 273 D C -0.242 175.887 176.300 -0.284 0.000 1.306 273 D CA -0.554 53.405 54.000 -0.068 0.000 0.929 273 D CB 0.613 41.407 40.800 -0.011 0.000 1.512 273 D HN 0.491 nan 8.370 nan 0.000 0.568 274 F N 4.207 124.074 119.950 -0.139 0.000 2.102 274 F HA -0.095 4.432 4.527 -0.001 0.000 0.298 274 F C 1.804 177.555 175.800 -0.082 0.000 1.105 274 F CA 1.505 59.454 58.000 -0.085 0.000 1.239 274 F CB 0.250 39.319 39.000 0.114 0.000 0.991 274 F HN 0.352 nan 8.300 nan 0.000 0.474 275 E N 0.560 120.656 120.200 -0.173 0.000 2.160 275 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 275 E C 2.261 178.672 176.600 -0.316 0.000 0.991 275 E CA 0.993 57.290 56.400 -0.172 0.000 0.810 275 E CB -0.416 29.272 29.700 -0.020 0.000 0.742 275 E HN 0.482 nan 8.360 nan 0.000 0.466 276 R N 0.405 120.600 120.500 -0.508 0.000 2.100 276 R HA 0.029 4.369 4.340 -0.000 0.000 0.220 276 R C 2.572 178.417 176.300 -0.758 0.000 1.091 276 R CA 0.472 56.078 56.100 -0.824 0.000 0.986 276 R CB -0.859 28.544 30.300 -1.495 0.000 0.888 276 R HN 0.078 nan 8.270 nan 0.000 0.444 277 V N 2.224 121.779 119.914 -0.599 0.000 2.282 277 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 277 V C 2.487 178.358 176.094 -0.372 0.000 1.057 277 V CA 1.788 63.865 62.300 -0.372 0.000 1.032 277 V CB -0.691 30.847 31.823 -0.475 0.000 0.645 277 V HN 0.154 nan 8.190 nan 0.000 0.447 278 L N 0.580 121.466 121.223 -0.561 0.000 1.990 278 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 278 L C 2.181 178.991 176.870 -0.100 0.000 1.072 278 L CA 2.272 56.902 54.840 -0.349 0.000 0.755 278 L CB -1.117 40.613 42.059 -0.548 0.000 0.889 278 L HN 0.327 nan 8.230 nan 0.000 0.432 279 D N -0.234 120.113 120.400 -0.087 0.000 2.133 279 D HA -0.220 4.420 4.640 -0.000 0.000 0.192 279 D C 1.807 178.049 176.300 -0.096 0.000 1.001 279 D CA 1.784 55.773 54.000 -0.018 0.000 0.844 279 D CB -0.245 40.497 40.800 -0.096 0.000 0.944 279 D HN 0.470 nan 8.370 nan 0.000 0.447 280 D N -0.924 119.403 120.400 -0.121 0.000 2.219 280 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 280 D C 1.551 177.665 176.300 -0.311 0.000 0.970 280 D CA 0.188 54.121 54.000 -0.112 0.000 0.851 280 D CB -0.259 40.608 40.800 0.111 0.000 0.943 280 D HN 0.184 nan 8.370 nan 0.000 0.488 281 F N 0.531 120.251 119.950 -0.383 0.000 2.456 281 F HA 0.135 4.661 4.527 -0.001 0.000 0.298 281 F C 1.628 177.233 175.800 -0.326 0.000 1.104 281 F CA 0.570 58.282 58.000 -0.480 0.000 1.435 281 F CB -0.038 38.922 39.000 -0.065 0.000 1.078 281 F HN -0.093 nan 8.300 nan 0.000 0.546 282 I N -0.909 119.431 120.570 -0.382 0.000 2.480 282 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 282 I C 2.270 178.166 176.117 -0.369 0.000 1.124 282 I CA 0.792 61.817 61.300 -0.458 0.000 1.444 282 I CB -0.520 37.379 38.000 -0.168 0.000 1.098 282 I HN 0.181 nan 8.210 nan 0.000 0.428 283 F N 1.530 121.289 119.950 -0.319 0.000 2.134 283 F HA -0.180 4.346 4.527 -0.000 0.000 0.299 283 F C 2.231 177.848 175.800 -0.304 0.000 1.097 283 F CA 1.511 59.371 58.000 -0.234 0.000 1.264 283 F CB -0.406 38.417 39.000 -0.294 0.000 1.001 283 F HN -0.242 nan 8.300 nan 0.000 0.479 284 V N 1.075 120.628 119.914 -0.602 0.000 2.343 284 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 284 V C 2.517 178.334 176.094 -0.461 0.000 1.051 284 V CA 2.040 63.911 62.300 -0.713 0.000 1.036 284 V CB -0.736 30.513 31.823 -0.957 0.000 0.654 284 V HN 0.422 nan 8.190 nan 0.000 0.451 285 L N -1.503 119.357 121.223 -0.604 0.000 2.056 285 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 285 L C 2.403 179.009 176.870 -0.440 0.000 1.078 285 L CA 1.713 56.221 54.840 -0.553 0.000 0.749 285 L CB -0.548 41.029 42.059 -0.804 0.000 0.901 285 L HN 0.259 nan 8.230 nan 0.000 0.433 286 F N -0.031 119.716 119.950 -0.337 0.000 2.134 286 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 286 F C 2.656 178.301 175.800 -0.259 0.000 1.097 286 F CA 1.301 59.152 58.000 -0.248 0.000 1.264 286 F CB -0.637 38.257 39.000 -0.176 0.000 1.001 286 F HN 0.019 nan 8.300 nan 0.000 0.479 287 T N 0.663 115.075 114.554 -0.237 0.000 2.822 287 T HA -0.209 4.141 4.350 -0.000 0.000 0.270 287 T C 1.812 176.493 174.700 -0.032 0.000 1.064 287 T CA 1.325 63.300 62.100 -0.208 0.000 1.131 287 T CB -0.417 68.276 68.868 -0.292 0.000 0.858 287 T HN 0.233 nan 8.240 nan 0.000 0.483 288 I N -0.043 120.498 120.570 -0.049 0.000 2.584 288 I HA 0.201 4.371 4.170 -0.000 0.000 0.255 288 I C 1.315 177.414 176.117 -0.030 0.000 1.145 288 I CA 0.303 61.568 61.300 -0.059 0.000 1.462 288 I CB 0.177 38.091 38.000 -0.143 0.000 1.102 288 I HN 0.260 nan 8.210 nan 0.000 0.433 289 G N 0.891 109.695 108.800 0.006 0.000 2.752 289 G HA2 0.492 4.452 3.960 -0.000 0.000 0.298 289 G HA3 0.492 4.452 3.960 -0.000 0.000 0.298 289 G C -1.788 173.195 174.900 0.137 0.000 1.434 289 G CA -0.569 44.562 45.100 0.052 0.000 1.004 289 G HN 0.276 nan 8.290 nan 0.000 0.560 290 N N -0.390 118.410 118.700 0.166 0.000 2.927 290 N HA 0.397 5.137 4.740 -0.000 0.000 0.248 290 N C -0.263 175.358 175.510 0.186 0.000 1.443 290 N CA -0.754 52.449 53.050 0.256 0.000 0.870 290 N CB 1.120 39.787 38.487 0.299 0.000 1.444 290 N HN 0.137 nan 8.380 nan 0.000 0.519 291 D N -0.929 119.564 120.400 0.156 0.000 2.224 291 D HA 0.109 4.749 4.640 -0.000 0.000 0.205 291 D C 0.536 176.693 176.300 -0.238 0.000 0.965 291 D CA 1.320 55.235 54.000 -0.141 0.000 0.852 291 D CB -0.063 40.495 40.800 -0.403 0.000 0.947 291 D HN 0.418 nan 8.370 nan 0.000 0.494 292 F N 0.508 120.504 119.950 0.077 0.000 2.085 292 F HA 0.167 4.694 4.527 -0.000 0.000 0.284 292 F C 1.179 177.030 175.800 0.084 0.000 1.127 292 F CA 0.023 58.067 58.000 0.073 0.000 1.164 292 F CB -1.079 37.978 39.000 0.095 0.000 1.035 292 F HN -0.213 nan 8.300 nan 0.000 0.481 293 L N 1.866 123.248 121.223 0.264 0.000 2.499 293 L HA 0.105 4.445 4.340 -0.000 0.000 0.281 293 L C -2.191 174.745 176.870 0.110 0.000 1.234 293 L CA -1.681 53.186 54.840 0.045 0.000 0.839 293 L CB -0.289 41.593 42.059 -0.295 0.000 1.104 293 L HN -0.082 nan 8.230 nan 0.000 0.500 294 P HA 0.184 nan 4.420 nan 0.000 0.281 294 P C -1.149 176.275 177.300 0.208 0.000 1.249 294 P CA -0.727 62.484 63.100 0.184 0.000 0.810 294 P CB 0.508 32.347 31.700 0.232 0.000 1.008 295 N N 1.140 119.927 118.700 0.145 0.000 2.492 295 N HA 0.072 4.812 4.740 -0.000 0.000 0.262 295 N C 0.052 175.622 175.510 0.101 0.000 1.202 295 N CA 0.032 53.155 53.050 0.122 0.000 0.926 295 N CB -0.166 38.366 38.487 0.075 0.000 1.078 295 N HN 0.348 nan 8.380 nan 0.000 0.454 296 L N 3.725 124.993 121.223 0.075 0.000 2.559 296 L HA 0.050 4.390 4.340 -0.000 0.000 0.282 296 L C -1.512 175.345 176.870 -0.022 0.000 1.232 296 L CA -1.033 53.795 54.840 -0.021 0.000 0.885 296 L CB -0.192 41.851 42.059 -0.027 0.000 1.131 296 L HN 0.340 nan 8.230 nan 0.000 0.498 297 P HA -0.016 nan 4.420 nan 0.000 0.272 297 P C -0.485 176.761 177.300 -0.088 0.000 1.223 297 P CA -0.160 62.897 63.100 -0.071 0.000 0.784 297 P CB 0.536 32.094 31.700 -0.236 0.000 0.923 298 D N 0.271 120.610 120.400 -0.103 0.000 2.751 298 D HA -0.163 4.476 4.640 -0.000 0.000 0.233 298 D C 1.185 177.216 176.300 -0.448 0.000 1.149 298 D CA 0.552 54.350 54.000 -0.336 0.000 0.682 298 D CB -1.200 39.504 40.800 -0.160 0.000 1.068 298 D HN 0.408 nan 8.370 nan 0.000 0.429 299 L N -0.627 120.488 121.223 -0.180 0.000 2.141 299 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 299 L C 0.957 177.861 176.870 0.058 0.000 1.094 299 L CA 0.973 55.779 54.840 -0.055 0.000 0.763 299 L CB -0.259 41.726 42.059 -0.125 0.000 0.908 299 L HN 0.317 nan 8.230 nan 0.000 0.437 300 H N -2.218 116.940 119.070 0.147 0.000 2.969 300 H HA -0.145 4.411 4.556 -0.000 0.000 0.269 300 H C 1.367 176.730 175.328 0.059 0.000 1.230 300 H CA 0.634 56.791 56.048 0.182 0.000 1.123 300 H CB -1.863 28.134 29.762 0.391 0.000 1.289 300 H HN 0.248 nan 8.280 nan 0.000 0.364 301 L N 0.254 121.524 121.223 0.077 0.000 1.990 301 L HA -0.221 4.118 4.340 -0.000 0.000 0.213 301 L C 1.943 178.887 176.870 0.122 0.000 1.072 301 L CA 2.178 57.027 54.840 0.015 0.000 0.755 301 L CB -0.387 41.652 42.059 -0.033 0.000 0.889 301 L HN 0.169 nan 8.230 nan 0.000 0.432 302 K N 0.231 120.715 120.400 0.141 0.000 2.773 302 K HA -0.088 4.232 4.320 -0.000 0.000 0.222 302 K C 0.875 177.573 176.600 0.164 0.000 0.985 302 K CA 0.484 56.850 56.287 0.132 0.000 1.126 302 K CB -0.051 32.511 32.500 0.104 0.000 0.919 302 K HN 0.116 nan 8.250 nan 0.000 0.487 303 K N -1.114 119.414 120.400 0.213 0.000 2.554 303 K HA 0.131 4.451 4.320 -0.000 0.000 0.211 303 K C 0.454 177.283 176.600 0.382 0.000 1.226 303 K CA 0.310 56.778 56.287 0.302 0.000 1.025 303 K CB 1.639 34.373 32.500 0.389 0.000 1.021 303 K HN 0.202 nan 8.250 nan 0.000 0.600 304 G N 0.225 109.154 108.800 0.215 0.000 2.163 304 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.213 304 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.213 304 G C 0.888 175.687 174.900 -0.167 0.000 0.991 304 G CA 0.195 45.404 45.100 0.183 0.000 0.653 304 G HN 0.278 nan 8.290 nan 0.000 0.518 305 A N -0.432 122.013 122.820 -0.625 0.000 2.125 305 A HA 0.319 4.638 4.320 -0.000 0.000 0.219 305 A C 1.843 179.246 177.584 -0.301 0.000 1.156 305 A CA 1.953 53.530 52.037 -0.766 0.000 0.671 305 A CB -0.419 18.252 19.000 -0.548 0.000 0.794 305 A HN 0.755 nan 8.150 nan 0.000 0.459 306 F N 0.632 120.410 119.950 -0.285 0.000 2.095 306 F HA -0.047 4.480 4.527 -0.001 0.000 0.298 306 F C -0.314 175.378 175.800 -0.180 0.000 1.104 306 F CA 1.658 59.413 58.000 -0.408 0.000 1.232 306 F CB -1.360 37.050 39.000 -0.982 0.000 0.987 306 F HN 0.169 nan 8.300 nan 0.000 0.475 307 P HA -0.191 nan 4.420 nan 0.000 0.215 307 P C 2.016 179.445 177.300 0.216 0.000 1.157 307 P CA 2.214 65.488 63.100 0.290 0.000 0.874 307 P CB -0.112 31.730 31.700 0.237 0.000 0.790 308 V N -0.505 119.500 119.914 0.152 0.000 2.255 308 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 308 V C 2.484 178.645 176.094 0.111 0.000 1.051 308 V CA 1.866 64.258 62.300 0.154 0.000 1.018 308 V CB -1.668 30.282 31.823 0.212 0.000 0.641 308 V HN 0.053 nan 8.190 nan 0.000 0.445 309 L N -0.683 120.522 121.223 -0.031 0.000 2.013 309 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 309 L C 2.554 179.601 176.870 0.296 0.000 1.073 309 L CA 1.558 56.396 54.840 -0.004 0.000 0.753 309 L CB -0.808 41.131 42.059 -0.199 0.000 0.890 309 L HN 0.337 nan 8.230 nan 0.000 0.432 310 L N -0.015 121.428 121.223 0.367 0.000 2.042 310 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 310 L C 2.586 179.702 176.870 0.410 0.000 1.076 310 L CA 1.836 56.979 54.840 0.505 0.000 0.749 310 L CB -0.668 41.696 42.059 0.509 0.000 0.893 310 L HN 0.239 nan 8.230 nan 0.000 0.432 311 Q N -1.079 118.894 119.800 0.288 0.000 2.170 311 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 311 Q C 2.135 178.243 176.000 0.180 0.000 0.976 311 Q CA 2.251 58.181 55.803 0.213 0.000 0.858 311 Q CB -0.563 28.286 28.738 0.184 0.000 0.907 311 Q HN 0.535 nan 8.270 nan 0.000 0.433 312 T N 0.194 114.892 114.554 0.240 0.000 2.684 312 T HA -0.144 4.205 4.350 -0.000 0.000 0.267 312 T C 1.200 176.033 174.700 0.221 0.000 1.036 312 T CA 1.408 63.642 62.100 0.222 0.000 1.148 312 T CB -0.464 68.660 68.868 0.428 0.000 0.863 312 T HN 0.415 nan 8.240 nan 0.000 0.436 313 F N 1.891 121.951 119.950 0.182 0.000 2.113 313 F HA 0.077 4.604 4.527 -0.001 0.000 0.297 313 F C 2.117 177.942 175.800 0.042 0.000 1.103 313 F CA 1.132 59.109 58.000 -0.038 0.000 1.248 313 F CB -0.390 38.580 39.000 -0.051 0.000 0.999 313 F HN -0.011 nan 8.300 nan 0.000 0.475 314 K N 0.078 120.444 120.400 -0.057 0.000 2.009 314 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 314 K C 2.015 178.548 176.600 -0.111 0.000 1.049 314 K CA 2.081 58.299 56.287 -0.114 0.000 0.929 314 K CB -0.357 32.194 32.500 0.086 0.000 0.714 314 K HN 0.179 nan 8.250 nan 0.000 0.440 315 E N 0.201 120.359 120.200 -0.069 0.000 2.153 315 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 315 E C 1.687 178.291 176.600 0.006 0.000 0.988 315 E CA 1.225 57.612 56.400 -0.022 0.000 0.811 315 E CB -0.061 29.636 29.700 -0.005 0.000 0.746 315 E HN 0.362 nan 8.360 nan 0.000 0.466 316 A N -0.030 122.671 122.820 -0.199 0.000 1.968 316 A HA -0.093 4.226 4.320 -0.000 0.000 0.217 316 A C 1.885 179.560 177.584 0.152 0.000 1.169 316 A CA 0.688 52.783 52.037 0.097 0.000 0.638 316 A CB -0.343 18.815 19.000 0.263 0.000 0.812 316 A HN 0.253 nan 8.150 nan 0.000 0.446 317 L N -0.161 121.026 121.223 -0.061 0.000 2.549 317 L HA -0.074 4.266 4.340 -0.000 0.000 0.229 317 L C 1.930 178.816 176.870 0.026 0.000 1.158 317 L CA 1.494 56.299 54.840 -0.058 0.000 0.842 317 L CB -0.533 41.331 42.059 -0.324 0.000 0.952 317 L HN 0.497 nan 8.230 nan 0.000 0.452 318 Q N -2.013 117.762 119.800 -0.042 0.000 2.282 318 Q HA 0.132 4.472 4.340 -0.000 0.000 0.206 318 Q C 0.057 175.773 176.000 -0.473 0.000 0.878 318 Q CA 0.192 55.838 55.803 -0.262 0.000 0.944 318 Q CB 0.478 29.013 28.738 -0.337 0.000 1.100 318 Q HN 0.554 nan 8.270 nan 0.000 0.509 319 H N -0.290 118.866 119.070 0.144 0.000 2.587 319 H HA 0.403 4.959 4.556 -0.001 0.000 0.245 319 H C -0.399 175.021 175.328 0.154 0.000 1.238 319 H CA 0.097 56.237 56.048 0.154 0.000 0.963 319 H CB 0.236 30.119 29.762 0.202 0.000 1.904 319 H HN 0.132 nan 8.280 nan 0.000 0.584 320 M N 0.367 120.083 119.600 0.193 0.000 2.622 320 M HA 0.149 4.628 4.480 -0.000 0.000 0.276 320 M C -0.045 176.340 176.300 0.141 0.000 1.265 320 M CA -0.720 54.665 55.300 0.142 0.000 0.850 320 M CB 2.644 35.297 32.600 0.088 0.000 1.720 320 M HN 0.005 nan 8.290 nan 0.000 0.465 321 D N -0.442 119.976 120.400 0.030 0.000 2.349 321 D HA 0.350 4.990 4.640 -0.000 0.000 0.214 321 D C 0.470 176.674 176.300 -0.160 0.000 1.063 321 D CA 0.268 54.286 54.000 0.031 0.000 0.847 321 D CB 0.938 41.747 40.800 0.015 0.000 0.933 321 D HN 0.794 nan 8.370 nan 0.000 0.513 322 G N -0.593 107.833 108.800 -0.624 0.000 2.327 322 G HA2 0.246 4.206 3.960 -0.000 0.000 0.291 322 G HA3 0.246 4.206 3.960 -0.000 0.000 0.291 322 G C -1.948 172.325 174.900 -1.046 0.000 1.290 322 G CA -1.125 43.302 45.100 -1.123 0.000 0.857 322 G HN 0.031 nan 8.290 nan 0.000 0.520 323 Y N 0.100 120.013 120.300 -0.646 0.000 2.299 323 Y HA 0.424 4.973 4.550 -0.001 0.000 0.326 323 Y C 2.011 177.712 175.900 -0.332 0.000 1.164 323 Y CA -0.379 57.442 58.100 -0.464 0.000 1.234 323 Y CB 1.328 39.556 38.460 -0.387 0.000 1.219 323 Y HN 0.368 nan 8.280 nan 0.000 0.497 324 I N 1.029 121.524 120.570 -0.124 0.000 2.423 324 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 324 I C 0.601 176.471 176.117 -0.412 0.000 1.151 324 I CA 1.414 62.556 61.300 -0.263 0.000 1.421 324 I CB -0.164 37.645 38.000 -0.318 0.000 1.079 324 I HN 0.597 nan 8.210 nan 0.000 0.431 325 N N 1.115 119.608 118.700 -0.344 0.000 2.569 325 N HA 0.172 4.911 4.740 -0.000 0.000 0.254 325 N C -0.699 174.583 175.510 -0.379 0.000 1.004 325 N CA -0.284 52.512 53.050 -0.423 0.000 0.904 325 N CB 0.671 38.896 38.487 -0.438 0.000 1.165 325 N HN -0.007 nan 8.380 nan 0.000 0.513 326 E N 2.493 122.478 120.200 -0.358 0.000 1.924 326 E HA 0.063 4.413 4.350 -0.000 0.000 0.261 326 E C -0.522 175.817 176.600 -0.437 0.000 1.088 326 E CA 0.022 56.221 56.400 -0.335 0.000 0.909 326 E CB 0.219 29.773 29.700 -0.244 0.000 1.112 326 E HN 0.469 nan 8.360 nan 0.000 0.425 327 Q N 1.397 120.867 119.800 -0.550 0.000 2.451 327 Q HA -0.317 4.022 4.340 -0.000 0.000 0.305 327 Q C 0.868 176.530 176.000 -0.563 0.000 1.345 327 Q CA 0.478 55.846 55.803 -0.726 0.000 0.854 327 Q CB -1.752 26.190 28.738 -1.327 0.000 1.162 327 Q HN 0.938 nan 8.270 nan 0.000 0.440 328 G N -0.602 107.742 108.800 -0.759 0.000 2.234 328 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.260 328 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.260 328 G C 0.147 174.761 174.900 -0.477 0.000 0.987 328 G CA 0.397 45.162 45.100 -0.558 0.000 0.625 328 G HN 0.235 nan 8.290 nan 0.000 0.532 329 K N 1.048 121.230 120.400 -0.363 0.000 2.312 329 K HA 0.509 4.829 4.320 -0.000 0.000 0.287 329 K C 0.470 176.843 176.600 -0.377 0.000 1.062 329 K CA -0.516 55.566 56.287 -0.341 0.000 0.934 329 K CB 0.234 32.658 32.500 -0.127 0.000 1.027 329 K HN 0.346 nan 8.250 nan 0.000 0.478 330 I N 3.630 123.961 120.570 -0.399 0.000 2.395 330 I HA 0.012 4.182 4.170 -0.000 0.000 0.289 330 I C 0.918 176.888 176.117 -0.245 0.000 1.023 330 I CA -0.346 60.715 61.300 -0.399 0.000 1.350 330 I CB 0.643 38.407 38.000 -0.392 0.000 1.409 330 I HN 0.403 nan 8.210 nan 0.000 0.507 331 N N 7.095 125.655 118.700 -0.233 0.000 2.482 331 N HA 0.160 4.900 4.740 -0.000 0.000 0.242 331 N C 0.851 176.363 175.510 0.003 0.000 1.100 331 N CA -0.078 52.909 53.050 -0.106 0.000 0.946 331 N CB 0.829 39.250 38.487 -0.109 0.000 1.227 331 N HN 0.600 nan 8.380 nan 0.000 0.508 332 L N 2.789 124.051 121.223 0.063 0.000 2.013 332 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 332 L C 2.443 179.397 176.870 0.140 0.000 1.073 332 L CA 1.770 56.720 54.840 0.183 0.000 0.753 332 L CB -0.553 41.589 42.059 0.139 0.000 0.890 332 L HN 0.504 nan 8.230 nan 0.000 0.432 333 A N 0.103 122.965 122.820 0.071 0.000 1.892 333 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 333 A C 2.422 180.052 177.584 0.077 0.000 1.188 333 A CA 2.069 54.138 52.037 0.053 0.000 0.631 333 A CB -0.581 18.436 19.000 0.028 0.000 0.822 333 A HN 0.340 nan 8.150 nan 0.000 0.447 334 R N -2.040 118.508 120.500 0.080 0.000 2.081 334 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 334 R C 1.987 178.429 176.300 0.238 0.000 1.131 334 R CA 1.515 57.679 56.100 0.107 0.000 0.960 334 R CB -0.448 29.867 30.300 0.025 0.000 0.856 334 R HN 0.619 nan 8.270 nan 0.000 0.436 335 F N 1.584 121.588 119.950 0.091 0.000 2.216 335 F HA -0.146 4.381 4.527 -0.001 0.000 0.300 335 F C 2.046 178.028 175.800 0.303 0.000 1.085 335 F CA 1.471 59.609 58.000 0.231 0.000 1.326 335 F CB -0.460 38.635 39.000 0.158 0.000 1.027 335 F HN -0.052 nan 8.300 nan 0.000 0.497 336 S N 0.229 115.890 115.700 -0.065 0.000 2.428 336 S HA -0.128 4.342 4.470 -0.000 0.000 0.230 336 S C 2.117 176.713 174.600 -0.006 0.000 1.014 336 S CA 1.178 59.263 58.200 -0.192 0.000 0.957 336 S CB -1.105 62.028 63.200 -0.111 0.000 0.784 336 S HN 0.476 nan 8.310 nan 0.000 0.499 337 I N 0.089 120.743 120.570 0.140 0.000 2.286 337 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 337 I C 2.408 178.792 176.117 0.445 0.000 1.115 337 I CA 1.428 62.872 61.300 0.241 0.000 1.392 337 I CB -0.344 37.819 38.000 0.270 0.000 1.065 337 I HN 0.416 nan 8.210 nan 0.000 0.418 338 W N 1.329 122.810 121.300 0.303 0.000 2.381 338 W HA -0.146 4.514 4.660 -0.001 0.000 0.301 338 W C 2.208 178.925 176.519 0.331 0.000 1.205 338 W CA 1.153 58.746 57.345 0.413 0.000 1.285 338 W CB -0.489 29.264 29.460 0.488 0.000 1.133 338 W HN 0.006 nan 8.180 nan 0.000 0.521 339 L N 0.875 122.035 121.223 -0.105 0.000 2.079 339 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 339 L C 2.702 179.491 176.870 -0.135 0.000 1.081 339 L CA 1.621 56.261 54.840 -0.335 0.000 0.752 339 L CB -0.695 41.100 42.059 -0.441 0.000 0.896 339 L HN -0.087 nan 8.230 nan 0.000 0.433 340 K N -0.571 119.811 120.400 -0.031 0.000 2.063 340 K HA -0.231 4.088 4.320 -0.000 0.000 0.208 340 K C 2.029 178.627 176.600 -0.003 0.000 1.048 340 K CA 1.796 58.065 56.287 -0.029 0.000 0.928 340 K CB -0.365 32.076 32.500 -0.098 0.000 0.713 340 K HN 0.308 nan 8.250 nan 0.000 0.442 341 Y N 1.046 121.384 120.300 0.063 0.000 2.181 341 Y HA -0.175 4.374 4.550 -0.001 0.000 0.288 341 Y C 2.323 178.279 175.900 0.093 0.000 1.146 341 Y CA 1.021 59.195 58.100 0.122 0.000 1.164 341 Y CB -0.376 38.212 38.460 0.213 0.000 0.982 341 Y HN -0.025 nan 8.280 nan 0.000 0.515 342 L N -1.084 120.178 121.223 0.065 0.000 2.083 342 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 342 L C 2.387 179.343 176.870 0.143 0.000 1.083 342 L CA 1.318 56.144 54.840 -0.023 0.000 0.752 342 L CB -0.546 41.299 42.059 -0.356 0.000 0.899 342 L HN 0.159 nan 8.230 nan 0.000 0.433 343 S N -0.314 115.444 115.700 0.097 0.000 2.356 343 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 343 S C 1.513 176.230 174.600 0.195 0.000 1.032 343 S CA 1.407 59.684 58.200 0.129 0.000 1.005 343 S CB -0.348 62.929 63.200 0.127 0.000 0.867 343 S HN 0.437 nan 8.310 nan 0.000 0.449 344 D N 0.835 121.393 120.400 0.263 0.000 2.182 344 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 344 D C 1.503 177.997 176.300 0.322 0.000 0.986 344 D CA 0.695 54.884 54.000 0.316 0.000 0.847 344 D CB -0.379 40.569 40.800 0.247 0.000 0.942 344 D HN 0.398 nan 8.370 nan 0.000 0.467 345 F N 1.677 121.746 119.950 0.198 0.000 2.075 345 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 345 F C 2.335 178.275 175.800 0.234 0.000 1.113 345 F CA 1.741 59.872 58.000 0.219 0.000 1.218 345 F CB -0.156 38.954 39.000 0.183 0.000 0.984 345 F HN -0.122 nan 8.300 nan 0.000 0.472 346 E N -0.929 119.465 120.200 0.324 0.000 2.038 346 E HA -0.341 4.009 4.350 -0.000 0.000 0.195 346 E C 2.311 179.002 176.600 0.153 0.000 1.000 346 E CA 1.787 58.330 56.400 0.238 0.000 0.803 346 E CB -0.716 29.158 29.700 0.289 0.000 0.750 346 E HN 0.593 nan 8.360 nan 0.000 0.448 347 Y N 1.218 121.446 120.300 -0.121 0.000 2.128 347 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 347 Y C 2.044 177.846 175.900 -0.163 0.000 1.154 347 Y CA 1.715 59.530 58.100 -0.476 0.000 1.149 347 Y CB -0.340 37.670 38.460 -0.750 0.000 0.976 347 Y HN 0.062 nan 8.280 nan 0.000 0.505 348 L N 0.159 121.330 121.223 -0.087 0.000 2.191 348 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 348 L C 1.534 178.389 176.870 -0.025 0.000 1.103 348 L CA 1.335 56.134 54.840 -0.068 0.000 0.769 348 L CB -0.535 41.606 42.059 0.137 0.000 0.908 348 L HN 0.305 nan 8.230 nan 0.000 0.438 349 N N -0.452 118.234 118.700 -0.023 0.000 2.424 349 N HA -0.114 4.626 4.740 -0.000 0.000 0.178 349 N C 1.510 176.923 175.510 -0.161 0.000 1.060 349 N CA 0.577 53.605 53.050 -0.035 0.000 0.901 349 N CB -0.131 38.384 38.487 0.046 0.000 0.979 349 N HN 0.325 nan 8.380 nan 0.000 0.451 350 F N 1.718 121.472 119.950 -0.327 0.000 2.163 350 F HA 0.104 4.631 4.527 0.000 0.000 0.297 350 F C 1.363 176.841 175.800 -0.537 0.000 1.094 350 F CA 0.895 58.583 58.000 -0.520 0.000 1.290 350 F CB -0.178 38.460 39.000 -0.603 0.000 1.017 350 F HN -0.124 nan 8.300 nan 0.000 0.483 351 E N 1.278 120.920 120.200 -0.931 0.000 2.322 351 E HA 0.020 4.370 4.350 -0.000 0.000 0.195 351 E C -0.265 175.929 176.600 -0.678 0.000 1.198 351 E CA -0.047 55.813 56.400 -0.900 0.000 1.132 351 E CB -0.115 29.180 29.700 -0.675 0.000 1.213 351 E HN 0.075 nan 8.360 nan 0.000 0.450 352 K N 0.376 120.346 120.400 -0.717 0.000 2.395 352 K HA 0.270 4.589 4.320 -0.000 0.000 0.247 352 K C 0.360 176.578 176.600 -0.637 0.000 0.973 352 K CA -0.629 55.174 56.287 -0.807 0.000 0.828 352 K CB 1.326 33.036 32.500 -1.317 0.000 1.272 352 K HN -0.142 nan 8.250 nan 0.000 0.439 353 K N 0.707 120.772 120.400 -0.559 0.000 2.174 353 K HA 0.018 4.338 4.320 -0.000 0.000 0.186 353 K C 0.396 176.773 176.600 -0.372 0.000 1.082 353 K CA 0.273 56.322 56.287 -0.398 0.000 1.067 353 K CB -0.358 31.952 32.500 -0.316 0.000 1.449 353 K HN 0.606 nan 8.250 nan 0.000 0.474 354 D N 1.134 121.349 120.400 -0.309 0.000 2.378 354 D HA 0.104 4.743 4.640 -0.000 0.000 0.238 354 D C -0.162 175.894 176.300 -0.407 0.000 1.180 354 D CA 0.228 54.063 54.000 -0.275 0.000 0.895 354 D CB 0.499 41.187 40.800 -0.187 0.000 1.192 354 D HN 0.146 nan 8.370 nan 0.000 0.438 355 I N -0.834 119.522 120.570 -0.356 0.000 2.436 355 I HA 0.419 4.589 4.170 -0.000 0.000 0.289 355 I C -0.763 175.256 176.117 -0.164 0.000 1.010 355 I CA -0.754 60.300 61.300 -0.411 0.000 1.098 355 I CB 2.059 39.753 38.000 -0.509 0.000 1.266 355 I HN 0.073 nan 8.210 nan 0.000 0.434 356 D N 3.981 124.320 120.400 -0.102 0.000 2.732 356 D HA 0.400 5.039 4.640 -0.000 0.000 0.292 356 D C 0.960 177.362 176.300 0.171 0.000 1.135 356 D CA -0.458 53.580 54.000 0.062 0.000 1.071 356 D CB 0.773 41.589 40.800 0.026 0.000 1.457 356 D HN 0.350 nan 8.370 nan 0.000 0.547 357 V N -2.098 117.948 119.914 0.221 0.000 2.343 357 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 357 V C 2.104 178.317 176.094 0.198 0.000 1.051 357 V CA 2.113 64.577 62.300 0.275 0.000 1.036 357 V CB -1.121 30.837 31.823 0.225 0.000 0.654 357 V HN 0.714 nan 8.190 nan 0.000 0.451 358 E N -0.035 120.238 120.200 0.121 0.000 2.065 358 E HA -0.298 4.052 4.350 -0.000 0.000 0.201 358 E C 1.996 178.655 176.600 0.098 0.000 1.016 358 E CA 2.339 58.788 56.400 0.083 0.000 0.818 358 E CB -0.350 29.382 29.700 0.054 0.000 0.749 358 E HN 0.870 nan 8.360 nan 0.000 0.453 359 W N 0.205 121.423 121.300 -0.138 0.000 2.388 359 W HA -0.189 4.470 4.660 -0.001 0.000 0.294 359 W C 1.415 177.820 176.519 -0.191 0.000 1.212 359 W CA 0.900 58.099 57.345 -0.244 0.000 1.271 359 W CB -0.404 28.787 29.460 -0.449 0.000 1.126 359 W HN 0.098 nan 8.180 nan 0.000 0.535 360 F N 1.464 121.382 119.950 -0.054 0.000 2.325 360 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 360 F C 2.254 178.029 175.800 -0.043 0.000 1.090 360 F CA 0.931 58.852 58.000 -0.132 0.000 1.392 360 F CB -0.799 38.258 39.000 0.094 0.000 1.053 360 F HN -0.172 nan 8.300 nan 0.000 0.521 361 N N 0.398 119.215 118.700 0.196 0.000 2.120 361 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 361 N C 1.788 177.345 175.510 0.078 0.000 1.024 361 N CA 1.122 54.280 53.050 0.181 0.000 0.852 361 N CB -0.501 38.072 38.487 0.143 0.000 1.003 361 N HN 0.260 nan 8.380 nan 0.000 0.424 362 Q N 0.847 120.630 119.800 -0.027 0.000 2.378 362 Q HA -0.038 4.301 4.340 -0.000 0.000 0.205 362 Q C 1.833 177.739 176.000 -0.156 0.000 0.954 362 Q CA 1.040 56.800 55.803 -0.071 0.000 0.901 362 Q CB 0.014 28.715 28.738 -0.062 0.000 0.981 362 Q HN 0.409 nan 8.270 nan 0.000 0.483 363 Q N -0.733 118.906 119.800 -0.268 0.000 2.062 363 Q HA -0.078 4.262 4.340 -0.000 0.000 0.196 363 Q C 1.786 177.778 176.000 -0.013 0.000 0.967 363 Q CA 1.124 56.768 55.803 -0.265 0.000 0.832 363 Q CB -0.312 28.172 28.738 -0.423 0.000 0.899 363 Q HN 0.448 nan 8.270 nan 0.000 0.442 364 L N 1.210 122.476 121.223 0.071 0.000 2.021 364 L HA -0.259 4.080 4.340 -0.000 0.000 0.215 364 L C 2.280 179.217 176.870 0.111 0.000 1.074 364 L CA 2.274 57.193 54.840 0.131 0.000 0.760 364 L CB -0.757 41.407 42.059 0.174 0.000 0.889 364 L HN 0.368 nan 8.230 nan 0.000 0.433 365 E N -0.095 120.159 120.200 0.090 0.000 2.017 365 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 365 E C 2.011 178.651 176.600 0.067 0.000 0.997 365 E CA 1.478 57.927 56.400 0.082 0.000 0.804 365 E CB -0.361 29.378 29.700 0.066 0.000 0.757 365 E HN 0.622 nan 8.360 nan 0.000 0.448 366 N N 0.792 119.517 118.700 0.041 0.000 2.060 366 N HA -0.192 4.547 4.740 -0.000 0.000 0.195 366 N C 2.209 177.768 175.510 0.082 0.000 1.028 366 N CA 1.333 54.410 53.050 0.045 0.000 0.861 366 N CB -0.496 37.998 38.487 0.012 0.000 1.029 366 N HN 0.274 nan 8.380 nan 0.000 0.428 367 I N 0.727 121.360 120.570 0.106 0.000 2.252 367 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 367 I C 2.180 178.387 176.117 0.151 0.000 1.102 367 I CA 0.769 62.164 61.300 0.158 0.000 1.385 367 I CB -0.151 37.968 38.000 0.199 0.000 1.064 367 I HN 0.023 nan 8.210 nan 0.000 0.414 368 S N 0.692 116.467 115.700 0.125 0.000 2.355 368 S HA -0.076 4.394 4.470 -0.000 0.000 0.222 368 S C 1.994 176.655 174.600 0.101 0.000 1.031 368 S CA 1.072 59.340 58.200 0.112 0.000 0.993 368 S CB -0.287 62.972 63.200 0.099 0.000 0.859 368 S HN 0.344 nan 8.310 nan 0.000 0.453 369 L N 1.215 122.491 121.223 0.088 0.000 2.191 369 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 369 L C 2.285 179.203 176.870 0.080 0.000 1.103 369 L CA 1.331 56.216 54.840 0.075 0.000 0.769 369 L CB -0.621 41.475 42.059 0.062 0.000 0.908 369 L HN 0.440 nan 8.230 nan 0.000 0.438 370 E N -0.407 119.850 120.200 0.096 0.000 2.076 370 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 370 E C 2.210 178.879 176.600 0.113 0.000 0.979 370 E CA 0.908 57.366 56.400 0.096 0.000 0.807 370 E CB -0.325 29.438 29.700 0.105 0.000 0.761 370 E HN 0.464 nan 8.360 nan 0.000 0.454 371 G N 1.149 110.039 108.800 0.151 0.000 2.432 371 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 371 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 371 G C 1.332 176.327 174.900 0.158 0.000 1.135 371 G CA 0.714 45.930 45.100 0.193 0.000 0.767 371 G HN 0.177 nan 8.290 nan 0.000 0.550 372 E N -0.016 120.251 120.200 0.112 0.000 2.016 372 E HA -0.019 4.330 4.350 -0.000 0.000 0.190 372 E C 2.796 179.440 176.600 0.073 0.000 0.985 372 E CA 0.377 56.827 56.400 0.083 0.000 0.802 372 E CB -0.078 29.661 29.700 0.065 0.000 0.762 372 E HN 0.266 nan 8.360 nan 0.000 0.448 373 R N 0.952 121.492 120.500 0.067 0.000 2.096 373 R HA -0.204 4.135 4.340 -0.000 0.000 0.240 373 R C 2.436 178.772 176.300 0.060 0.000 1.139 373 R CA 1.679 57.812 56.100 0.054 0.000 0.952 373 R CB -0.310 30.018 30.300 0.047 0.000 0.854 373 R HN 0.042 nan 8.270 nan 0.000 0.436 374 K N 0.951 121.398 120.400 0.077 0.000 2.026 374 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 374 K C 2.132 178.802 176.600 0.117 0.000 1.048 374 K CA 1.479 57.815 56.287 0.081 0.000 0.929 374 K CB -0.022 32.515 32.500 0.061 0.000 0.713 374 K HN 0.018 nan 8.250 nan 0.000 0.439 375 R N -0.238 120.349 120.500 0.145 0.000 2.148 375 R HA -0.041 4.299 4.340 -0.000 0.000 0.227 375 R C 2.021 178.357 176.300 0.060 0.000 1.103 375 R CA 1.758 57.929 56.100 0.118 0.000 0.983 375 R CB -0.068 30.291 30.300 0.099 0.000 0.874 375 R HN 0.335 nan 8.270 nan 0.000 0.451 376 T N 0.035 114.619 114.554 0.049 0.000 2.857 376 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 376 T C 1.683 176.396 174.700 0.022 0.000 1.048 376 T CA 0.923 63.040 62.100 0.027 0.000 1.139 376 T CB -0.065 68.818 68.868 0.025 0.000 0.874 376 T HN 0.268 nan 8.240 nan 0.000 0.455 377 R N 0.635 121.154 120.500 0.031 0.000 2.075 377 R HA 0.120 4.460 4.340 -0.000 0.000 0.232 377 R C 2.580 178.895 176.300 0.024 0.000 1.126 377 R CA 1.206 57.320 56.100 0.024 0.000 0.963 377 R CB -0.416 29.899 30.300 0.026 0.000 0.858 377 R HN 0.351 nan 8.270 nan 0.000 0.435 378 M N -0.200 119.425 119.600 0.042 0.000 2.195 378 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 378 M C 2.242 178.552 176.300 0.016 0.000 1.066 378 M CA 1.854 57.179 55.300 0.041 0.000 1.089 378 M CB -0.351 32.292 32.600 0.071 0.000 1.377 378 M HN 0.377 nan 8.290 nan 0.000 0.411 379 G N -0.063 108.742 108.800 0.008 0.000 2.395 379 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.214 379 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.214 379 G C 1.522 176.408 174.900 -0.024 0.000 1.177 379 G CA 0.380 45.473 45.100 -0.012 0.000 0.794 379 G HN 0.358 nan 8.290 nan 0.000 0.532 380 K N 0.536 120.924 120.400 -0.019 0.000 2.044 380 K HA -0.128 4.191 4.320 -0.000 0.000 0.210 380 K C 2.515 179.098 176.600 -0.029 0.000 1.049 380 K CA 1.443 57.713 56.287 -0.028 0.000 0.927 380 K CB -0.183 32.308 32.500 -0.016 0.000 0.713 380 K HN 0.178 nan 8.250 nan 0.000 0.443 381 K N 0.694 121.085 120.400 -0.013 0.000 2.009 381 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 381 K C 2.152 178.741 176.600 -0.019 0.000 1.049 381 K CA 1.330 57.611 56.287 -0.010 0.000 0.929 381 K CB -0.304 32.198 32.500 0.003 0.000 0.714 381 K HN 0.023 nan 8.250 nan 0.000 0.440 382 L N 1.614 122.825 121.223 -0.020 0.000 2.042 382 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 382 L C 1.901 178.740 176.870 -0.051 0.000 1.076 382 L CA 1.531 56.354 54.840 -0.028 0.000 0.749 382 L CB -0.470 41.572 42.059 -0.027 0.000 0.893 382 L HN 0.203 nan 8.230 nan 0.000 0.432 383 L N -1.563 119.618 121.223 -0.071 0.000 2.042 383 L HA -0.251 4.088 4.340 -0.000 0.000 0.210 383 L C 2.541 179.336 176.870 -0.125 0.000 1.076 383 L CA 1.433 56.202 54.840 -0.118 0.000 0.749 383 L CB -0.301 41.671 42.059 -0.145 0.000 0.893 383 L HN 0.361 nan 8.230 nan 0.000 0.432 384 M N -0.720 118.830 119.600 -0.083 0.000 2.175 384 M HA -0.242 4.238 4.480 -0.000 0.000 0.264 384 M C 2.239 178.521 176.300 -0.031 0.000 1.063 384 M CA 1.539 56.805 55.300 -0.057 0.000 1.119 384 M CB -0.703 31.881 32.600 -0.026 0.000 1.377 384 M HN 0.185 nan 8.290 nan 0.000 0.415 385 K N 0.183 120.568 120.400 -0.026 0.000 2.057 385 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 385 K C 1.925 178.520 176.600 -0.008 0.000 1.049 385 K CA 1.431 57.714 56.287 -0.008 0.000 0.931 385 K CB 0.094 32.591 32.500 -0.006 0.000 0.714 385 K HN 0.369 nan 8.250 nan 0.000 0.440 386 Q N -0.147 119.633 119.800 -0.033 0.000 2.123 386 Q HA -0.128 4.211 4.340 -0.000 0.000 0.199 386 Q C 2.236 178.218 176.000 -0.031 0.000 0.966 386 Q CA 1.048 56.830 55.803 -0.035 0.000 0.845 386 Q CB 0.080 28.777 28.738 -0.067 0.000 0.907 386 Q HN 0.315 nan 8.270 nan 0.000 0.439 387 Q N 0.455 120.218 119.800 -0.061 0.000 2.096 387 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 387 Q C 1.752 177.787 176.000 0.058 0.000 0.982 387 Q CA 1.180 56.967 55.803 -0.026 0.000 0.850 387 Q CB 0.223 28.918 28.738 -0.071 0.000 0.901 387 Q HN 0.163 nan 8.270 nan 0.000 0.422 388 K N 0.690 121.119 120.400 0.049 0.000 2.031 388 K HA -0.061 4.258 4.320 -0.000 0.000 0.205 388 K C 1.994 178.643 176.600 0.082 0.000 1.049 388 K CA 0.948 57.279 56.287 0.074 0.000 0.939 388 K CB -0.284 32.251 32.500 0.058 0.000 0.717 388 K HN 0.211 nan 8.250 nan 0.000 0.438 389 K N 0.998 121.438 120.400 0.066 0.000 2.074 389 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 389 K C 2.182 178.850 176.600 0.114 0.000 1.048 389 K CA 1.215 57.551 56.287 0.082 0.000 0.926 389 K CB -0.450 32.089 32.500 0.064 0.000 0.713 389 K HN -0.001 nan 8.250 nan 0.000 0.444 390 L N 1.811 123.092 121.223 0.096 0.000 1.989 390 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 390 L C 2.096 179.059 176.870 0.154 0.000 1.071 390 L CA 1.582 56.486 54.840 0.106 0.000 0.749 390 L CB -0.290 41.774 42.059 0.008 0.000 0.890 390 L HN 0.114 nan 8.230 nan 0.000 0.431 391 I N -0.603 120.078 120.570 0.185 0.000 2.315 391 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 391 I C 2.551 178.785 176.117 0.194 0.000 1.117 391 I CA 1.112 62.576 61.300 0.273 0.000 1.404 391 I CB -1.484 36.675 38.000 0.265 0.000 1.071 391 I HN 0.363 nan 8.210 nan 0.000 0.419 392 G N 0.793 109.689 108.800 0.159 0.000 2.462 392 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 392 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 392 G C 1.752 176.758 174.900 0.175 0.000 1.121 392 G CA 0.932 46.117 45.100 0.142 0.000 0.758 392 G HN 0.531 nan 8.290 nan 0.000 0.559 393 A N -0.598 122.356 122.820 0.223 0.000 2.095 393 A HA 0.457 4.776 4.320 -0.000 0.000 0.212 393 A C 2.389 180.207 177.584 0.390 0.000 1.162 393 A CA 0.949 53.183 52.037 0.328 0.000 0.753 393 A CB 0.092 19.346 19.000 0.424 0.000 0.840 393 A HN 0.187 nan 8.150 nan 0.000 0.468 394 V N 0.040 120.076 119.914 0.203 0.000 2.379 394 V HA -0.161 3.959 4.120 -0.000 0.000 0.243 394 V C 2.329 178.581 176.094 0.263 0.000 1.035 394 V CA 1.843 64.216 62.300 0.121 0.000 1.035 394 V CB -0.493 31.362 31.823 0.053 0.000 0.673 394 V HN 0.576 nan 8.190 nan 0.000 0.457 395 K N 0.465 120.965 120.400 0.166 0.000 2.005 395 K HA -0.272 4.047 4.320 -0.000 0.000 0.229 395 K C 0.006 176.676 176.600 0.117 0.000 1.050 395 K CA 2.879 59.227 56.287 0.101 0.000 0.994 395 K CB -1.526 31.026 32.500 0.088 0.000 0.736 395 K HN 0.402 nan 8.250 nan 0.000 0.448 396 P HA -0.202 nan 4.420 nan 0.000 0.214 396 P C 1.375 178.799 177.300 0.207 0.000 1.163 396 P CA 1.749 64.948 63.100 0.165 0.000 0.889 396 P CB -0.541 31.272 31.700 0.189 0.000 0.790 397 W N 0.751 122.137 121.300 0.143 0.000 2.402 397 W HA -0.113 4.547 4.660 -0.001 0.000 0.286 397 W C 1.973 178.559 176.519 0.112 0.000 1.221 397 W CA 0.616 58.066 57.345 0.174 0.000 1.257 397 W CB -0.974 28.686 29.460 0.333 0.000 1.120 397 W HN -0.192 nan 8.180 nan 0.000 0.551 398 L N 1.055 122.128 121.223 -0.250 0.000 2.027 398 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 398 L C 2.332 178.979 176.870 -0.372 0.000 1.074 398 L CA 1.984 56.474 54.840 -0.584 0.000 0.745 398 L CB -1.290 40.571 42.059 -0.329 0.000 0.898 398 L HN 0.132 nan 8.230 nan 0.000 0.433 399 L N -0.619 120.497 121.223 -0.179 0.000 2.131 399 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 399 L C 2.501 179.305 176.870 -0.110 0.000 1.092 399 L CA 1.152 55.917 54.840 -0.125 0.000 0.759 399 L CB -0.608 41.413 42.059 -0.062 0.000 0.903 399 L HN 0.241 nan 8.230 nan 0.000 0.435 400 K N 0.122 120.462 120.400 -0.098 0.000 2.097 400 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 400 K C 1.965 178.506 176.600 -0.098 0.000 1.050 400 K CA 1.679 57.929 56.287 -0.063 0.000 0.938 400 K CB -0.456 32.046 32.500 0.004 0.000 0.718 400 K HN 0.111 nan 8.250 nan 0.000 0.442 401 T N -0.105 114.303 114.554 -0.243 0.000 2.746 401 T HA -0.067 4.282 4.350 -0.000 0.000 0.267 401 T C 1.487 176.121 174.700 -0.110 0.000 1.039 401 T CA 1.488 63.463 62.100 -0.208 0.000 1.142 401 T CB -0.121 68.404 68.868 -0.571 0.000 0.866 401 T HN -0.023 nan 8.240 nan 0.000 0.444 402 V N 1.348 121.154 119.914 -0.180 0.000 3.573 402 V HA 0.050 4.170 4.120 -0.000 0.000 0.270 402 V C 2.076 178.128 176.094 -0.069 0.000 1.221 402 V CA 0.791 63.011 62.300 -0.134 0.000 1.163 402 V CB -0.492 31.227 31.823 -0.174 0.000 0.847 402 V HN 0.306 nan 8.190 nan 0.000 0.468 403 Q N 0.696 120.468 119.800 -0.047 0.000 2.482 403 Q HA 0.062 4.401 4.340 -0.000 0.000 0.209 403 Q C 1.183 177.185 176.000 0.002 0.000 0.961 403 Q CA 0.557 56.345 55.803 -0.024 0.000 0.945 403 Q CB 0.029 28.753 28.738 -0.023 0.000 1.012 403 Q HN 0.585 nan 8.270 nan 0.000 0.515 404 R N 0.701 121.224 120.500 0.038 0.000 2.360 404 R HA 0.265 4.605 4.340 -0.000 0.000 0.318 404 R C -1.004 175.349 176.300 0.088 0.000 0.950 404 R CA -0.582 55.556 56.100 0.063 0.000 0.837 404 R CB 0.614 30.960 30.300 0.077 0.000 1.165 404 R HN -0.077 nan 8.270 nan 0.000 0.458 405 K N 2.560 122.988 120.400 0.046 0.000 2.350 405 K HA 0.163 4.483 4.320 -0.000 0.000 0.279 405 K C -0.085 176.556 176.600 0.068 0.000 1.027 405 K CA -0.667 55.644 56.287 0.039 0.000 0.969 405 K CB 0.935 33.443 32.500 0.014 0.000 0.954 405 K HN 0.157 nan 8.250 nan 0.000 0.474 406 V N 2.642 122.598 119.914 0.070 0.000 2.999 406 V HA -0.021 4.099 4.120 -0.000 0.000 0.307 406 V C 0.596 176.725 176.094 0.059 0.000 1.084 406 V CA 0.301 62.657 62.300 0.093 0.000 1.155 406 V CB 0.946 32.803 31.823 0.057 0.000 0.975 406 V HN 0.999 nan 8.190 nan 0.000 0.490 407 T N 1.235 115.828 114.554 0.065 0.000 1.999 407 T HA 0.396 4.746 4.350 -0.000 0.000 0.176 407 T C -0.221 174.503 174.700 0.039 0.000 0.685 407 T CA -0.131 61.992 62.100 0.038 0.000 1.245 407 T CB 1.163 70.046 68.868 0.024 0.000 2.785 407 T HN 0.661 nan 8.240 nan 0.000 0.425 413 A N 0.643 123.578 122.820 0.193 0.000 2.259 413 A HA 0.024 4.343 4.320 -0.000 0.000 0.212 413 A C 0.534 178.155 177.584 0.062 0.000 1.178 413 A CA 1.412 53.528 52.037 0.131 0.000 0.734 413 A CB -0.663 18.379 19.000 0.071 0.000 0.774 413 A HN 0.374 nan 8.150 nan 0.000 0.481 414 D N -1.379 119.018 120.400 -0.004 0.000 2.370 414 D HA 0.376 5.016 4.640 -0.000 0.000 0.230 414 D C -0.447 175.407 176.300 -0.743 0.000 1.143 414 D CA 0.223 54.018 54.000 -0.341 0.000 0.834 414 D CB -0.101 40.439 40.800 -0.433 0.000 0.944 414 D HN 0.435 nan 8.370 nan 0.000 0.504 415 F N -0.004 119.996 119.950 0.083 0.000 2.626 415 F HA 0.294 4.821 4.527 -0.000 0.000 0.311 415 F C 0.231 176.145 175.800 0.190 0.000 1.088 415 F CA -1.512 56.561 58.000 0.122 0.000 0.949 415 F CB 1.550 40.624 39.000 0.124 0.000 1.322 415 F HN -0.318 nan 8.300 nan 0.000 0.461 416 E N 1.239 121.730 120.200 0.484 0.000 2.331 416 E HA 0.483 4.833 4.350 -0.000 0.000 0.272 416 E C -1.242 175.734 176.600 0.627 0.000 1.036 416 E CA -0.495 56.190 56.400 0.474 0.000 0.864 416 E CB 1.047 31.043 29.700 0.493 0.000 1.035 416 E HN 0.485 nan 8.360 nan 0.000 0.408 417 I N 3.834 124.604 120.570 0.334 0.000 2.385 417 I HA 0.166 4.336 4.170 -0.000 0.000 0.294 417 I C -0.672 175.441 176.117 -0.006 0.000 0.988 417 I CA -0.201 61.261 61.300 0.270 0.000 1.265 417 I CB 0.927 38.964 38.000 0.061 0.000 1.388 417 I HN 0.476 nan 8.210 nan 0.000 0.480 418 F N 8.998 128.758 119.950 -0.317 0.000 2.309 418 F HA 0.500 5.027 4.527 -0.000 0.000 0.366 418 F C -2.175 173.514 175.800 -0.185 0.000 1.104 418 F CA -2.440 55.208 58.000 -0.587 0.000 1.179 418 F CB 0.364 38.638 39.000 -1.209 0.000 1.437 418 F HN 0.294 nan 8.300 nan 0.000 0.528 419 P HA 0.123 nan 4.420 nan 0.000 0.268 419 P C -1.082 176.159 177.300 -0.099 0.000 1.205 419 P CA 0.155 63.206 63.100 -0.082 0.000 0.771 419 P CB 0.825 32.426 31.700 -0.166 0.000 0.858 420 L N 2.247 123.481 121.223 0.019 0.000 2.329 420 L HA 0.384 4.723 4.340 -0.000 0.000 0.279 420 L C 1.389 178.267 176.870 0.014 0.000 1.014 420 L CA -0.156 54.686 54.840 0.003 0.000 0.814 420 L CB 1.761 43.779 42.059 -0.069 0.000 1.257 420 L HN 0.368 nan 8.230 nan 0.000 0.424 421 E N 0.279 120.474 120.200 -0.007 0.000 2.372 421 E HA -0.002 4.348 4.350 -0.000 0.000 0.201 421 E C -0.253 176.349 176.600 0.004 0.000 0.938 421 E CA 0.183 56.583 56.400 0.000 0.000 0.944 421 E CB 0.684 30.369 29.700 -0.024 0.000 0.937 421 E HN 0.598 nan 8.360 nan 0.000 0.495 422 D N 1.646 122.037 120.400 -0.016 0.000 2.470 422 D HA 0.039 4.679 4.640 -0.000 0.000 0.226 422 D C 0.708 176.979 176.300 -0.049 0.000 1.196 422 D CA 0.074 54.058 54.000 -0.026 0.000 0.979 422 D CB 0.582 41.362 40.800 -0.034 0.000 1.059 422 D HN 0.010 nan 8.370 nan 0.000 0.515 423 K N 1.853 122.245 120.400 -0.013 0.000 2.032 423 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 423 K C 1.917 178.457 176.600 -0.100 0.000 1.048 423 K CA 1.120 57.387 56.287 -0.033 0.000 0.927 423 K CB 0.192 32.763 32.500 0.118 0.000 0.712 423 K HN 0.444 nan 8.250 nan 0.000 0.441 424 E N 1.144 121.314 120.200 -0.051 0.000 2.085 424 E HA -0.243 4.106 4.350 -0.000 0.000 0.194 424 E C 2.142 178.693 176.600 -0.081 0.000 0.994 424 E CA 1.189 57.556 56.400 -0.056 0.000 0.801 424 E CB -0.444 29.234 29.700 -0.036 0.000 0.743 424 E HN 0.262 nan 8.360 nan 0.000 0.453 425 L N 1.144 122.317 121.223 -0.083 0.000 2.131 425 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 425 L C 2.454 179.255 176.870 -0.116 0.000 1.087 425 L CA 0.723 55.511 54.840 -0.087 0.000 0.767 425 L CB -0.050 41.967 42.059 -0.071 0.000 0.917 425 L HN -0.114 nan 8.230 nan 0.000 0.441 426 V N 0.183 119.998 119.914 -0.165 0.000 2.278 426 V HA -0.373 3.746 4.120 -0.000 0.000 0.251 426 V C 2.707 178.649 176.094 -0.252 0.000 1.062 426 V CA 2.361 64.511 62.300 -0.249 0.000 1.038 426 V CB -0.751 30.786 31.823 -0.478 0.000 0.646 426 V HN 0.461 nan 8.190 nan 0.000 0.447 427 R N -0.129 120.218 120.500 -0.255 0.000 2.115 427 R HA -0.010 4.329 4.340 -0.000 0.000 0.230 427 R C 2.030 178.273 176.300 -0.095 0.000 1.111 427 R CA 1.198 57.188 56.100 -0.184 0.000 0.976 427 R CB -0.412 29.809 30.300 -0.132 0.000 0.870 427 R HN 0.529 nan 8.270 nan 0.000 0.445 428 A N 0.424 123.194 122.820 -0.083 0.000 2.276 428 A HA 0.048 4.368 4.320 -0.000 0.000 0.212 428 A C 0.401 177.959 177.584 -0.042 0.000 1.230 428 A CA 0.425 52.428 52.037 -0.056 0.000 0.844 428 A CB 0.130 19.094 19.000 -0.059 0.000 0.860 428 A HN 0.231 nan 8.150 nan 0.000 0.486 429 N N -0.893 117.789 118.700 -0.029 0.000 2.330 429 N HA 0.146 4.885 4.740 -0.000 0.000 0.249 429 N C 0.539 176.107 175.510 0.096 0.000 1.413 429 N CA 0.011 53.074 53.050 0.021 0.000 0.817 429 N CB 0.398 38.876 38.487 -0.015 0.000 1.362 429 N HN 0.324 nan 8.380 nan 0.000 0.499 430 L N 0.070 121.325 121.223 0.054 0.000 2.109 430 L HA -0.036 4.303 4.340 -0.000 0.000 0.207 430 L C 1.597 178.532 176.870 0.108 0.000 1.086 430 L CA 1.058 55.938 54.840 0.066 0.000 0.760 430 L CB -0.070 42.010 42.059 0.036 0.000 0.910 430 L HN -0.009 nan 8.230 nan 0.000 0.437 431 D N 0.142 120.608 120.400 0.109 0.000 2.097 431 D HA -0.235 4.404 4.640 -0.000 0.000 0.195 431 D C 1.946 178.340 176.300 0.156 0.000 0.989 431 D CA 1.356 55.422 54.000 0.110 0.000 0.827 431 D CB -0.343 40.512 40.800 0.091 0.000 0.966 431 D HN 0.204 nan 8.370 nan 0.000 0.456 432 F N 1.660 121.641 119.950 0.051 0.000 2.046 432 F HA -0.189 4.337 4.527 -0.001 0.000 0.297 432 F C 2.355 178.236 175.800 0.135 0.000 1.123 432 F CA 1.279 59.323 58.000 0.074 0.000 1.199 432 F CB -0.491 38.525 39.000 0.027 0.000 0.972 432 F HN -0.156 nan 8.300 nan 0.000 0.474 433 L N 0.384 121.743 121.223 0.225 0.000 2.013 433 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 433 L C 2.521 179.534 176.870 0.239 0.000 1.073 433 L CA 1.851 56.820 54.840 0.215 0.000 0.753 433 L CB -0.751 41.448 42.059 0.235 0.000 0.890 433 L HN 0.113 nan 8.230 nan 0.000 0.432 434 K N -0.484 120.023 120.400 0.177 0.000 2.147 434 K HA -0.212 4.108 4.320 -0.000 0.000 0.205 434 K C 2.001 178.677 176.600 0.126 0.000 1.049 434 K CA 1.251 57.635 56.287 0.161 0.000 0.936 434 K CB -0.083 32.488 32.500 0.118 0.000 0.722 434 K HN 0.396 nan 8.250 nan 0.000 0.446 435 E N 0.002 120.241 120.200 0.066 0.000 2.158 435 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 435 E C 1.737 178.358 176.600 0.035 0.000 0.982 435 E CA 0.294 56.726 56.400 0.054 0.000 0.823 435 E CB 0.011 29.711 29.700 -0.000 0.000 0.766 435 E HN 0.183 nan 8.360 nan 0.000 0.468 436 F N 1.227 121.008 119.950 -0.283 0.000 2.102 436 F HA -0.160 4.367 4.527 -0.001 0.000 0.298 436 F C 2.061 177.682 175.800 -0.298 0.000 1.105 436 F CA 1.624 59.406 58.000 -0.364 0.000 1.239 436 F CB -0.389 38.293 39.000 -0.530 0.000 0.991 436 F HN 0.029 nan 8.300 nan 0.000 0.474 437 A N 0.303 123.082 122.820 -0.069 0.000 1.883 437 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 437 A C 2.158 179.649 177.584 -0.155 0.000 1.186 437 A CA 1.798 53.713 52.037 -0.204 0.000 0.624 437 A CB -1.730 17.313 19.000 0.072 0.000 0.822 437 A HN 0.566 nan 8.150 nan 0.000 0.444 438 F N 1.325 121.189 119.950 -0.143 0.000 2.095 438 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 438 F C 1.758 177.451 175.800 -0.177 0.000 1.104 438 F CA 2.329 60.253 58.000 -0.127 0.000 1.232 438 F CB -0.298 38.652 39.000 -0.083 0.000 0.987 438 F HN 0.251 nan 8.300 nan 0.000 0.475 439 D N 0.339 120.580 120.400 -0.265 0.000 2.144 439 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 439 D C 2.173 178.205 176.300 -0.448 0.000 0.978 439 D CA 1.349 55.133 54.000 -0.360 0.000 0.833 439 D CB -0.315 40.361 40.800 -0.206 0.000 0.961 439 D HN 0.351 nan 8.370 nan 0.000 0.470 440 L N -0.674 120.241 121.223 -0.513 0.000 2.591 440 L HA 0.211 4.551 4.340 -0.000 0.000 0.228 440 L C 1.191 177.809 176.870 -0.421 0.000 1.133 440 L CA 0.279 54.815 54.840 -0.507 0.000 0.880 440 L CB -0.056 41.591 42.059 -0.686 0.000 1.033 440 L HN 0.073 nan 8.230 nan 0.000 0.450 441 G N 0.922 109.469 108.800 -0.421 0.000 2.171 441 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.238 441 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.238 441 G C -0.179 174.555 174.900 -0.276 0.000 1.039 441 G CA -0.130 44.758 45.100 -0.353 0.000 0.759 441 G HN 0.224 nan 8.290 nan 0.000 0.501 442 L N -0.750 120.314 121.223 -0.264 0.000 2.319 442 L HA 0.759 5.099 4.340 -0.000 0.000 0.267 442 L C 0.553 177.390 176.870 -0.055 0.000 1.011 442 L CA -1.416 53.324 54.840 -0.167 0.000 0.818 442 L CB 1.893 43.779 42.059 -0.289 0.000 1.316 442 L HN 0.053 nan 8.230 nan 0.000 0.432 443 I N 1.834 122.436 120.570 0.053 0.000 2.460 443 I HA 0.242 4.412 4.170 -0.000 0.000 0.298 443 I C -0.540 175.740 176.117 0.272 0.000 0.989 443 I CA -0.655 60.711 61.300 0.110 0.000 1.173 443 I CB 1.985 40.016 38.000 0.052 0.000 1.338 443 I HN 0.304 nan 8.210 nan 0.000 0.456 444 L N 6.819 128.218 121.223 0.294 0.000 2.295 444 L HA 0.621 4.961 4.340 -0.000 0.000 0.288 444 L C 0.093 176.967 176.870 0.007 0.000 1.079 444 L CA 0.318 55.328 54.840 0.283 0.000 0.830 444 L CB 0.134 42.387 42.059 0.323 0.000 1.200 444 L HN 0.695 nan 8.230 nan 0.000 0.438 445 A N 5.257 127.912 122.820 -0.275 0.000 2.269 445 A HA 0.792 5.112 4.320 -0.000 0.000 0.327 445 A C -0.459 176.815 177.584 -0.516 0.000 1.112 445 A CA -0.290 51.425 52.037 -0.536 0.000 0.865 445 A CB 0.644 19.149 19.000 -0.825 0.000 1.227 445 A HN 0.944 nan 8.150 nan 0.000 0.498 446 H N -1.407 117.477 119.070 -0.309 0.000 3.742 446 H HA 0.783 5.339 4.556 -0.000 0.000 0.342 446 H C -0.759 174.538 175.328 -0.052 0.000 1.682 446 H CA -0.102 55.782 56.048 -0.273 0.000 1.177 446 H CB 0.952 30.386 29.762 -0.547 0.000 1.602 446 H HN 0.799 nan 8.280 nan 0.000 0.699 447 S N -0.454 115.362 115.700 0.193 0.000 2.568 447 S HA 0.250 4.719 4.470 -0.000 0.000 0.293 447 S C 0.741 175.432 174.600 0.151 0.000 1.089 447 S CA -0.834 57.448 58.200 0.136 0.000 0.945 447 S CB 3.141 66.371 63.200 0.049 0.000 1.077 447 S HN 0.662 nan 8.310 nan 0.000 0.485 448 K N 1.940 122.400 120.400 0.100 0.000 2.044 448 K HA -0.137 4.182 4.320 -0.000 0.000 0.210 448 K C 2.036 178.640 176.600 0.007 0.000 1.049 448 K CA 2.414 58.743 56.287 0.070 0.000 0.927 448 K CB -0.904 31.624 32.500 0.045 0.000 0.713 448 K HN 0.792 nan 8.250 nan 0.000 0.443 449 S N -0.602 115.091 115.700 -0.011 0.000 2.561 449 S HA 0.052 4.522 4.470 -0.000 0.000 0.225 449 S C 0.612 175.163 174.600 -0.082 0.000 0.977 449 S CA 0.695 58.873 58.200 -0.036 0.000 0.926 449 S CB -0.108 63.078 63.200 -0.023 0.000 0.769 449 S HN 0.329 nan 8.310 nan 0.000 0.533 450 K N 0.982 121.293 120.400 -0.147 0.000 3.281 450 K HA -0.145 4.175 4.320 -0.000 0.000 0.295 450 K C 0.106 176.574 176.600 -0.220 0.000 1.233 450 K CA 1.140 57.242 56.287 -0.310 0.000 0.866 450 K CB -1.853 30.483 32.500 -0.274 0.000 1.265 450 K HN 0.744 nan 8.250 nan 0.000 0.482 451 D N -0.482 119.845 120.400 -0.122 0.000 2.339 451 D HA 0.099 4.739 4.640 -0.000 0.000 0.217 451 D C 0.319 176.606 176.300 -0.021 0.000 1.050 451 D CA 0.045 54.020 54.000 -0.042 0.000 0.856 451 D CB 0.187 40.973 40.800 -0.023 0.000 0.922 451 D HN 0.232 nan 8.370 nan 0.000 0.518 452 L N 0.205 121.380 121.223 -0.080 0.000 2.516 452 L HA 0.427 4.767 4.340 -0.000 0.000 0.267 452 L C -2.159 174.714 176.870 0.004 0.000 0.957 452 L CA -0.838 54.014 54.840 0.020 0.000 0.860 452 L CB 1.651 43.732 42.059 0.037 0.000 1.265 452 L HN -0.201 nan 8.230 nan 0.000 0.403 453 Y N 4.848 125.234 120.300 0.143 0.000 2.387 453 Y HA 0.741 5.291 4.550 -0.000 0.000 0.336 453 Y C -0.471 175.530 175.900 0.168 0.000 1.067 453 Y CA -0.170 58.000 58.100 0.116 0.000 1.114 453 Y CB 1.753 40.207 38.460 -0.009 0.000 1.208 453 Y HN 0.628 nan 8.280 nan 0.000 0.458 454 Y N -1.277 119.067 120.300 0.074 0.000 2.670 454 Y HA 0.701 5.250 4.550 -0.000 0.000 0.334 454 Y C -1.758 174.131 175.900 -0.018 0.000 1.185 454 Y CA -2.414 55.675 58.100 -0.018 0.000 1.053 454 Y CB 1.191 39.669 38.460 0.030 0.000 1.298 454 Y HN 0.399 nan 8.280 nan 0.000 0.459 455 F N 1.355 121.472 119.950 0.279 0.000 2.408 455 F HA 0.673 5.200 4.527 -0.001 0.000 0.325 455 F C -0.218 175.806 175.800 0.374 0.000 1.082 455 F CA -0.881 57.248 58.000 0.215 0.000 1.032 455 F CB 2.010 41.141 39.000 0.217 0.000 1.259 455 F HN 0.583 nan 8.300 nan 0.000 0.503 456 K N 0.849 121.598 120.400 0.582 0.000 2.562 456 K HA 0.479 4.799 4.320 -0.000 0.000 0.267 456 K C -1.872 174.883 176.600 0.260 0.000 0.938 456 K CA -1.120 55.463 56.287 0.493 0.000 0.840 456 K CB 1.570 34.312 32.500 0.403 0.000 1.390 456 K HN 0.423 nan 8.250 nan 0.000 0.428 457 L N 2.281 123.567 121.223 0.105 0.000 2.540 457 L HA 0.074 4.413 4.340 -0.000 0.000 0.276 457 L C -0.178 176.608 176.870 -0.140 0.000 1.212 457 L CA 0.758 55.502 54.840 -0.160 0.000 0.893 457 L CB 0.252 42.023 42.059 -0.482 0.000 1.138 457 L HN 0.782 nan 8.230 nan 0.000 0.491 458 D N 4.212 124.527 120.400 -0.142 0.000 2.498 458 D HA -0.022 4.618 4.640 -0.000 0.000 0.229 458 D C 0.957 177.168 176.300 -0.148 0.000 1.188 458 D CA 0.016 53.950 54.000 -0.110 0.000 1.028 458 D CB 0.226 40.967 40.800 -0.098 0.000 1.087 458 D HN 0.605 nan 8.370 nan 0.000 0.510 459 L N 2.734 123.863 121.223 -0.158 0.000 2.072 459 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 459 L C 0.702 177.530 176.870 -0.071 0.000 1.079 459 L CA 1.281 56.026 54.840 -0.158 0.000 0.752 459 L CB -0.011 41.959 42.059 -0.148 0.000 0.906 459 L HN 0.139 nan 8.230 nan 0.000 0.436 460 D N -0.149 120.228 120.400 -0.039 0.000 2.767 460 D HA 0.062 4.702 4.640 -0.000 0.000 0.231 460 D C 0.659 176.945 176.300 -0.024 0.000 1.105 460 D CA 0.566 54.556 54.000 -0.016 0.000 1.024 460 D CB -0.030 40.770 40.800 0.001 0.000 1.123 460 D HN 0.261 nan 8.370 nan 0.000 0.470 461 S N 0.301 115.978 115.700 -0.038 0.000 2.824 461 S HA 0.212 4.681 4.470 -0.000 0.000 0.216 461 S C -0.514 174.054 174.600 -0.053 0.000 0.755 461 S CA -0.423 57.750 58.200 -0.045 0.000 1.122 461 S CB -0.682 62.480 63.200 -0.064 0.000 1.416 461 S HN 0.156 nan 8.310 nan 0.000 0.522 505 S N -0.233 115.733 115.700 0.442 0.000 2.632 505 S HA 0.223 4.692 4.470 -0.000 0.000 0.267 505 S C 0.380 175.202 174.600 0.370 0.000 1.193 505 S CA 0.326 58.807 58.200 0.468 0.000 1.003 505 S CB 0.766 64.339 63.200 0.623 0.000 1.073 505 S HN 0.620 nan 8.310 nan 0.000 0.553 506 E N -0.135 120.242 120.200 0.294 0.000 2.364 506 E HA 0.221 4.571 4.350 -0.000 0.000 0.203 506 E C 2.040 178.775 176.600 0.225 0.000 0.888 506 E CA 0.045 56.577 56.400 0.219 0.000 0.989 506 E CB -0.082 29.708 29.700 0.150 0.000 0.985 506 E HN 0.491 nan 8.360 nan 0.000 0.499 507 R N 0.229 120.894 120.500 0.275 0.000 2.120 507 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 507 R C 1.766 178.254 176.300 0.313 0.000 1.123 507 R CA 1.117 57.401 56.100 0.307 0.000 0.975 507 R CB -0.390 30.126 30.300 0.360 0.000 0.866 507 R HN 0.093 nan 8.270 nan 0.000 0.446 508 F N 1.470 121.449 119.950 0.048 0.000 2.014 508 F HA -0.213 4.314 4.527 -0.000 0.000 0.295 508 F C 2.134 177.893 175.800 -0.069 0.000 1.145 508 F CA 1.394 59.178 58.000 -0.359 0.000 1.178 508 F CB -0.700 38.229 39.000 -0.118 0.000 0.972 508 F HN -0.296 nan 8.300 nan 0.000 0.476 509 V N 0.729 120.635 119.914 -0.014 0.000 2.363 509 V HA -0.374 3.746 4.120 -0.000 0.000 0.254 509 V C 2.452 178.502 176.094 -0.073 0.000 1.074 509 V CA 2.417 64.660 62.300 -0.094 0.000 1.069 509 V CB -0.956 30.892 31.823 0.041 0.000 0.659 509 V HN 0.523 nan 8.190 nan 0.000 0.455 510 E N -1.163 119.051 120.200 0.024 0.000 2.072 510 E HA -0.266 4.084 4.350 -0.000 0.000 0.190 510 E C 2.056 178.683 176.600 0.046 0.000 0.982 510 E CA 1.438 57.867 56.400 0.048 0.000 0.803 510 E CB -0.213 29.546 29.700 0.097 0.000 0.755 510 E HN 0.735 nan 8.360 nan 0.000 0.453 511 W N 1.884 123.098 121.300 -0.143 0.000 2.374 511 W HA -0.124 4.536 4.660 -0.000 0.000 0.288 511 W C 1.845 178.212 176.519 -0.254 0.000 1.218 511 W CA 1.570 58.827 57.345 -0.148 0.000 1.245 511 W CB 0.147 29.531 29.460 -0.126 0.000 1.126 511 W HN -0.056 nan 8.180 nan 0.000 0.545 512 K N -0.392 119.777 120.400 -0.384 0.000 2.116 512 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 512 K C 1.658 178.032 176.600 -0.378 0.000 1.052 512 K CA 1.563 57.491 56.287 -0.598 0.000 0.952 512 K CB -0.433 31.725 32.500 -0.570 0.000 0.729 512 K HN -0.029 nan 8.250 nan 0.000 0.446 513 D N 0.994 121.301 120.400 -0.155 0.000 2.117 513 D HA -0.146 4.493 4.640 -0.000 0.000 0.197 513 D C 1.530 177.780 176.300 -0.082 0.000 0.987 513 D CA 1.260 55.251 54.000 -0.016 0.000 0.829 513 D CB 0.202 41.004 40.800 0.002 0.000 0.961 513 D HN 0.113 nan 8.370 nan 0.000 0.460 514 Q N -1.473 118.240 119.800 -0.145 0.000 2.515 514 Q HA -0.095 4.244 4.340 -0.000 0.000 0.212 514 Q C 1.055 176.914 176.000 -0.236 0.000 0.970 514 Q CA 0.277 55.992 55.803 -0.147 0.000 0.941 514 Q CB 0.071 28.761 28.738 -0.082 0.000 0.998 514 Q HN 0.482 nan 8.270 nan 0.000 0.518 515 Y N -0.931 119.053 120.300 -0.526 0.000 2.231 515 Y HA -0.162 4.387 4.550 -0.000 0.000 0.294 515 Y C 1.254 176.849 175.900 -0.509 0.000 1.120 515 Y CA 1.280 58.992 58.100 -0.647 0.000 1.141 515 Y CB -0.111 37.764 38.460 -0.975 0.000 1.022 515 Y HN 0.051 nan 8.280 nan 0.000 0.523 516 Y N 0.622 120.751 120.300 -0.286 0.000 2.153 516 Y HA -0.183 4.366 4.550 -0.000 0.000 0.289 516 Y C 2.482 178.215 175.900 -0.279 0.000 1.127 516 Y CA 1.439 59.353 58.100 -0.309 0.000 1.131 516 Y CB -0.298 38.073 38.460 -0.149 0.000 0.995 516 Y HN -0.072 nan 8.280 nan 0.000 0.505 517 K N 0.272 120.648 120.400 -0.040 0.000 2.001 517 K HA -0.284 4.036 4.320 -0.000 0.000 0.223 517 K C 1.530 178.046 176.600 -0.140 0.000 1.055 517 K CA 1.978 58.222 56.287 -0.073 0.000 0.965 517 K CB -0.648 31.817 32.500 -0.058 0.000 0.730 517 K HN 0.319 nan 8.250 nan 0.000 0.449 518 D N 1.687 121.966 120.400 -0.201 0.000 2.401 518 D HA -0.144 4.496 4.640 -0.000 0.000 0.217 518 D C 0.338 176.423 176.300 -0.358 0.000 0.978 518 D CA 1.203 55.048 54.000 -0.257 0.000 0.951 518 D CB 0.145 40.773 40.800 -0.286 0.000 0.879 518 D HN 0.422 nan 8.370 nan 0.000 0.497 527 T N -1.011 113.508 114.554 -0.058 0.000 2.560 527 T HA 0.301 4.651 4.350 -0.000 0.000 0.236 527 T C -0.671 173.991 174.700 -0.064 0.000 1.580 527 T CA 0.075 62.138 62.100 -0.062 0.000 1.027 527 T CB 0.984 69.805 68.868 -0.079 0.000 2.127 527 T HN 0.114 nan 8.240 nan 0.000 0.408 528 D N -0.712 119.642 120.400 -0.076 0.000 4.383 528 D HA -0.072 4.568 4.640 -0.000 0.000 0.154 528 D C 1.090 177.356 176.300 -0.058 0.000 0.416 528 D CA 1.008 54.972 54.000 -0.060 0.000 0.604 528 D CB -1.127 39.649 40.800 -0.040 0.000 1.641 528 D HN 0.511 nan 8.370 nan 0.000 0.062 529 S N -0.114 115.546 115.700 -0.067 0.000 2.527 529 S HA 0.110 4.579 4.470 -0.000 0.000 0.222 529 S C 1.746 176.284 174.600 -0.102 0.000 0.985 529 S CA 0.414 58.580 58.200 -0.058 0.000 0.921 529 S CB 0.092 63.266 63.200 -0.042 0.000 0.772 529 S HN 0.320 nan 8.310 nan 0.000 0.529 530 L N 1.753 122.876 121.223 -0.167 0.000 2.131 530 L HA 0.260 4.600 4.340 -0.000 0.000 0.206 530 L C 2.384 179.148 176.870 -0.177 0.000 1.087 530 L CA 1.534 56.215 54.840 -0.265 0.000 0.767 530 L CB -0.490 41.361 42.059 -0.347 0.000 0.917 530 L HN 0.243 nan 8.230 nan 0.000 0.441 531 K N -0.478 119.856 120.400 -0.109 0.000 2.211 531 K HA -0.244 4.076 4.320 -0.000 0.000 0.204 531 K C 2.032 178.609 176.600 -0.037 0.000 1.047 531 K CA 1.690 57.941 56.287 -0.059 0.000 0.935 531 K CB -0.052 32.426 32.500 -0.038 0.000 0.728 531 K HN 0.523 nan 8.250 nan 0.000 0.452 532 E N 0.362 120.535 120.200 -0.044 0.000 2.076 532 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 532 E C 2.030 178.625 176.600 -0.008 0.000 0.979 532 E CA 0.788 57.187 56.400 -0.002 0.000 0.807 532 E CB -0.032 29.679 29.700 0.019 0.000 0.761 532 E HN 0.337 nan 8.360 nan 0.000 0.454 533 M N 0.316 119.819 119.600 -0.162 0.000 2.126 533 M HA -0.198 4.282 4.480 -0.000 0.000 0.259 533 M C 2.301 178.520 176.300 -0.136 0.000 1.073 533 M CA 2.154 57.130 55.300 -0.539 0.000 1.103 533 M CB -0.581 31.565 32.600 -0.757 0.000 1.284 533 M HN -0.009 nan 8.290 nan 0.000 0.420 534 T N 0.416 114.917 114.554 -0.088 0.000 2.616 534 T HA -0.325 4.024 4.350 -0.000 0.000 0.261 534 T C 1.562 176.355 174.700 0.154 0.000 1.105 534 T CA 2.574 64.698 62.100 0.040 0.000 1.159 534 T CB -0.461 68.393 68.868 -0.024 0.000 0.856 534 T HN 0.561 nan 8.240 nan 0.000 0.449 535 E N 0.064 120.329 120.200 0.108 0.000 2.204 535 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 535 E C 2.224 178.955 176.600 0.219 0.000 0.989 535 E CA 0.675 57.158 56.400 0.139 0.000 0.824 535 E CB -0.125 29.625 29.700 0.085 0.000 0.756 535 E HN 0.519 nan 8.360 nan 0.000 0.477 536 N N -0.894 117.963 118.700 0.262 0.000 2.120 536 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 536 N C 1.722 177.598 175.510 0.611 0.000 1.024 536 N CA 0.755 54.053 53.050 0.412 0.000 0.852 536 N CB -0.022 38.677 38.487 0.353 0.000 1.003 536 N HN 0.151 nan 8.380 nan 0.000 0.424 537 Y N 1.516 122.068 120.300 0.422 0.000 2.109 537 Y HA -0.172 4.378 4.550 -0.000 0.000 0.285 537 Y C 2.316 178.318 175.900 0.170 0.000 1.131 537 Y CA 1.242 59.447 58.100 0.175 0.000 1.121 537 Y CB -0.588 37.904 38.460 0.054 0.000 0.987 537 Y HN -0.152 nan 8.280 nan 0.000 0.495 538 V N -0.040 120.066 119.914 0.320 0.000 2.324 538 V HA -0.341 3.779 4.120 -0.000 0.000 0.250 538 V C 2.595 178.765 176.094 0.127 0.000 1.060 538 V CA 2.020 64.460 62.300 0.232 0.000 1.042 538 V CB -1.646 30.335 31.823 0.265 0.000 0.650 538 V HN 0.654 nan 8.190 nan 0.000 0.450 539 G N -0.083 108.820 108.800 0.171 0.000 2.469 539 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 539 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 539 G C 1.613 176.516 174.900 0.006 0.000 1.150 539 G CA 1.101 46.281 45.100 0.134 0.000 0.763 539 G HN 0.604 nan 8.290 nan 0.000 0.561 540 G N 1.065 109.898 108.800 0.054 0.000 2.514 540 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 540 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 540 G C 1.821 176.555 174.900 -0.276 0.000 1.198 540 G CA 0.935 45.916 45.100 -0.198 0.000 0.780 540 G HN 0.426 nan 8.290 nan 0.000 0.565 541 L N -0.097 120.982 121.223 -0.239 0.000 2.021 541 L HA -0.224 4.115 4.340 -0.000 0.000 0.215 541 L C 3.001 179.761 176.870 -0.182 0.000 1.074 541 L CA 1.783 56.496 54.840 -0.211 0.000 0.760 541 L CB -0.450 41.517 42.059 -0.152 0.000 0.889 541 L HN 0.255 nan 8.230 nan 0.000 0.433 542 Q N -0.627 119.089 119.800 -0.141 0.000 2.084 542 Q HA -0.266 4.073 4.340 -0.000 0.000 0.202 542 Q C 1.919 177.761 176.000 -0.264 0.000 0.978 542 Q CA 1.978 57.668 55.803 -0.189 0.000 0.844 542 Q CB -0.569 28.152 28.738 -0.028 0.000 0.898 542 Q HN 0.531 nan 8.270 nan 0.000 0.426 543 W N -0.690 120.297 121.300 -0.523 0.000 2.358 543 W HA -0.150 4.509 4.660 -0.001 0.000 0.303 543 W C 1.794 177.858 176.519 -0.759 0.000 1.208 543 W CA 1.641 58.428 57.345 -0.931 0.000 1.274 543 W CB -0.201 28.310 29.460 -1.581 0.000 1.138 543 W HN -0.006 nan 8.180 nan 0.000 0.515 544 V N 0.838 120.488 119.914 -0.440 0.000 2.255 544 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 544 V C 2.391 178.154 176.094 -0.551 0.000 1.051 544 V CA 1.793 63.742 62.300 -0.587 0.000 1.018 544 V CB -1.172 30.453 31.823 -0.331 0.000 0.641 544 V HN 0.192 nan 8.190 nan 0.000 0.445 545 L N -1.314 119.719 121.223 -0.316 0.000 2.012 545 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 545 L C 2.550 179.360 176.870 -0.100 0.000 1.073 545 L CA 2.315 57.091 54.840 -0.107 0.000 0.748 545 L CB -1.189 40.792 42.059 -0.131 0.000 0.891 545 L HN 0.345 nan 8.230 nan 0.000 0.431 546 Y N -0.954 119.153 120.300 -0.322 0.000 2.128 546 Y HA -0.315 4.235 4.550 -0.000 0.000 0.284 546 Y C 2.656 178.275 175.900 -0.468 0.000 1.154 546 Y CA 1.172 59.061 58.100 -0.352 0.000 1.149 546 Y CB -1.210 36.960 38.460 -0.483 0.000 0.976 546 Y HN 0.147 nan 8.280 nan 0.000 0.505 547 Y N -0.590 119.208 120.300 -0.837 0.000 2.069 547 Y HA -0.371 4.178 4.550 -0.001 0.000 0.278 547 Y C 2.154 177.639 175.900 -0.691 0.000 1.175 547 Y CA 1.948 59.395 58.100 -1.088 0.000 1.134 547 Y CB -0.953 36.374 38.460 -1.887 0.000 0.965 547 Y HN 0.116 nan 8.280 nan 0.000 0.498 548 Y N -2.509 117.561 120.300 -0.384 0.000 2.243 548 Y HA -0.135 4.415 4.550 -0.000 0.000 0.293 548 Y C 2.191 177.874 175.900 -0.361 0.000 1.124 548 Y CA 1.402 59.268 58.100 -0.390 0.000 1.159 548 Y CB -1.155 37.122 38.460 -0.306 0.000 1.008 548 Y HN 0.115 nan 8.280 nan 0.000 0.527 549 Y N -0.988 119.286 120.300 -0.045 0.000 2.475 549 Y HA 0.030 4.580 4.550 -0.001 0.000 0.289 549 Y C 2.080 177.939 175.900 -0.069 0.000 1.121 549 Y CA 0.969 59.072 58.100 0.005 0.000 1.257 549 Y CB 0.182 38.707 38.460 0.108 0.000 1.026 549 Y HN -0.065 nan 8.280 nan 0.000 0.555 550 R N -1.659 118.826 120.500 -0.025 0.000 2.635 550 R HA 0.361 4.701 4.340 -0.000 0.000 0.241 550 R C 0.094 176.270 176.300 -0.207 0.000 0.941 550 R CA 0.605 56.659 56.100 -0.076 0.000 1.014 550 R CB 1.442 31.846 30.300 0.173 0.000 1.517 550 R HN 0.242 nan 8.270 nan 0.000 0.594 551 G N 0.550 109.177 108.800 -0.287 0.000 2.362 551 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.656 551 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.656 551 G C -1.035 173.716 174.900 -0.247 0.000 1.376 551 G CA -0.762 44.193 45.100 -0.242 0.000 0.971 551 G HN 0.134 nan 8.290 nan 0.000 0.636 552 C N 2.904 122.113 119.300 -0.152 0.000 2.638 552 C HA 0.524 4.984 4.460 -0.000 0.000 0.410 552 C C 0.046 174.801 174.990 -0.392 0.000 1.404 552 C CA -0.303 58.494 59.018 -0.368 0.000 1.651 552 C CB 0.250 27.623 27.740 -0.611 0.000 2.495 552 C HN 0.606 nan 8.230 nan 0.000 0.606 553 P HA 0.088 nan 4.420 nan 0.000 0.255 553 P C -0.104 177.103 177.300 -0.155 0.000 1.248 553 P CA 0.751 63.596 63.100 -0.424 0.000 0.807 553 P CB 0.276 31.517 31.700 -0.764 0.000 1.150 554 S N -1.172 114.524 115.700 -0.007 0.000 2.582 554 S HA 0.223 4.693 4.470 -0.000 0.000 0.296 554 S C -0.863 173.858 174.600 0.203 0.000 1.118 554 S CA -0.629 57.708 58.200 0.228 0.000 0.947 554 S CB -0.444 63.001 63.200 0.408 0.000 1.131 554 S HN -0.064 nan 8.310 nan 0.000 0.453 555 W N 3.298 124.716 121.300 0.196 0.000 2.937 555 W HA 0.111 4.771 4.660 -0.000 0.000 0.245 555 W C 2.200 178.741 176.519 0.037 0.000 1.306 555 W CA 0.738 58.143 57.345 0.100 0.000 1.470 555 W CB 0.431 29.924 29.460 0.055 0.000 1.132 555 W HN 0.854 nan 8.180 nan 0.000 0.675 556 S N -2.712 113.167 115.700 0.298 0.000 2.593 556 S HA 0.014 4.484 4.470 -0.000 0.000 0.235 556 S C 0.353 175.081 174.600 0.212 0.000 1.059 556 S CA -0.715 57.608 58.200 0.206 0.000 0.953 556 S CB -0.747 62.600 63.200 0.245 0.000 0.897 556 S HN 0.198 nan 8.310 nan 0.000 0.507 557 W N 3.347 124.684 121.300 0.061 0.000 2.274 557 W HA 0.369 5.029 4.660 -0.001 0.000 0.345 557 W C -0.470 175.981 176.519 -0.113 0.000 1.265 557 W CA 0.702 58.038 57.345 -0.015 0.000 1.293 557 W CB 0.133 29.562 29.460 -0.051 0.000 1.175 557 W HN 0.410 nan 8.180 nan 0.000 0.577 558 Y N 3.354 122.617 120.300 -1.727 0.000 2.641 558 Y HA 0.339 4.889 4.550 -0.001 0.000 0.333 558 Y C -2.063 172.806 175.900 -1.717 0.000 1.174 558 Y CA -2.114 54.992 58.100 -1.656 0.000 1.057 558 Y CB 0.306 38.365 38.460 -0.668 0.000 1.322 558 Y HN 0.462 nan 8.280 nan 0.000 0.457 559 Y N 3.233 122.836 120.300 -1.161 0.000 2.404 559 Y HA 0.480 5.030 4.550 -0.000 0.000 0.344 559 Y C 0.602 176.255 175.900 -0.411 0.000 0.995 559 Y CA -0.898 56.880 58.100 -0.537 0.000 1.201 559 Y CB 1.192 39.642 38.460 -0.018 0.000 1.151 559 Y HN 0.779 nan 8.280 nan 0.000 0.517 560 R N 4.552 124.412 120.500 -1.067 0.000 2.363 560 R HA 0.156 4.495 4.340 -0.000 0.000 0.236 560 R C -1.275 174.073 176.300 -1.586 0.000 0.966 560 R CA 0.306 55.531 56.100 -1.459 0.000 1.100 560 R CB -0.081 29.355 30.300 -1.441 0.000 1.125 560 R HN 0.577 nan 8.270 nan 0.000 0.514 561 Y N -2.862 116.880 120.300 -0.929 0.000 2.581 561 Y HA 0.230 4.780 4.550 -0.000 0.000 0.345 561 Y C 0.810 176.720 175.900 0.016 0.000 1.036 561 Y CA -1.086 56.732 58.100 -0.470 0.000 1.042 561 Y CB 1.384 39.572 38.460 -0.454 0.000 1.289 561 Y HN -0.033 nan 8.280 nan 0.000 0.471 562 H N -0.686 118.645 119.070 0.436 0.000 2.544 562 H HA 0.142 4.697 4.556 -0.000 0.000 0.269 562 H C -0.947 174.431 175.328 0.083 0.000 0.970 562 H CA 0.609 56.775 56.048 0.196 0.000 1.219 562 H CB 0.377 30.108 29.762 -0.051 0.000 1.421 562 H HN 0.434 nan 8.280 nan 0.000 0.555 563 Y N -0.726 119.837 120.300 0.439 0.000 2.598 563 Y HA 0.608 5.157 4.550 -0.001 0.000 0.340 563 Y C -0.096 176.037 175.900 0.389 0.000 1.038 563 Y CA -1.645 56.664 58.100 0.349 0.000 1.100 563 Y CB 1.397 39.978 38.460 0.202 0.000 1.281 563 Y HN -0.069 nan 8.280 nan 0.000 0.488 564 A N 2.203 125.264 122.820 0.402 0.000 2.293 564 A HA 0.699 5.019 4.320 -0.000 0.000 0.302 564 A C -2.562 175.088 177.584 0.109 0.000 1.119 564 A CA -1.782 50.292 52.037 0.063 0.000 0.823 564 A CB 0.088 18.994 19.000 -0.157 0.000 1.097 564 A HN 0.430 nan 8.150 nan 0.000 0.491 565 P HA 0.230 nan 4.420 nan 0.000 0.275 565 P C -0.600 176.687 177.300 -0.022 0.000 1.266 565 P CA -0.513 62.673 63.100 0.143 0.000 0.793 565 P CB 0.418 32.112 31.700 -0.009 0.000 1.074 566 R N 0.398 120.895 120.500 -0.005 0.000 2.694 566 R HA 0.181 4.521 4.340 -0.000 0.000 0.268 566 R C 1.677 177.921 176.300 -0.093 0.000 1.061 566 R CA -0.284 55.695 56.100 -0.202 0.000 1.133 566 R CB -0.645 29.487 30.300 -0.280 0.000 1.020 566 R HN 0.496 nan 8.270 nan 0.000 0.475 567 I N 0.746 121.272 120.570 -0.074 0.000 2.226 567 I HA -0.279 3.890 4.170 -0.000 0.000 0.245 567 I C 1.725 177.833 176.117 -0.014 0.000 1.100 567 I CA 1.816 63.094 61.300 -0.036 0.000 1.374 567 I CB -0.263 37.746 38.000 0.015 0.000 1.057 567 I HN 0.560 nan 8.210 nan 0.000 0.413 568 S N -0.604 115.105 115.700 0.016 0.000 2.803 568 S HA -0.028 4.442 4.470 -0.000 0.000 0.226 568 S C 0.845 175.461 174.600 0.027 0.000 0.962 568 S CA 0.448 58.664 58.200 0.026 0.000 0.968 568 S CB -0.288 62.917 63.200 0.008 0.000 0.786 568 S HN 0.387 nan 8.310 nan 0.000 0.527 569 D N 0.365 120.771 120.400 0.010 0.000 2.489 569 D HA 0.170 4.810 4.640 -0.000 0.000 0.231 569 D C 1.722 178.021 176.300 -0.002 0.000 1.114 569 D CA 0.161 54.168 54.000 0.012 0.000 0.842 569 D CB 0.248 41.073 40.800 0.042 0.000 1.133 569 D HN 0.272 nan 8.370 nan 0.000 0.506 570 V N 2.617 122.528 119.914 -0.005 0.000 2.546 570 V HA -0.261 3.859 4.120 -0.000 0.000 0.254 570 V C 2.520 178.628 176.094 0.024 0.000 1.076 570 V CA 1.082 63.400 62.300 0.030 0.000 1.087 570 V CB -0.704 31.160 31.823 0.068 0.000 0.674 570 V HN 0.296 nan 8.190 nan 0.000 0.470 571 I N -0.333 120.226 120.570 -0.018 0.000 2.185 571 I HA -0.270 3.900 4.170 -0.000 0.000 0.246 571 I C 2.362 178.480 176.117 0.002 0.000 1.088 571 I CA 1.628 62.913 61.300 -0.025 0.000 1.347 571 I CB -1.020 36.969 38.000 -0.017 0.000 1.041 571 I HN 0.305 nan 8.210 nan 0.000 0.415 572 K N 1.229 121.631 120.400 0.003 0.000 2.519 572 K HA -0.052 4.268 4.320 -0.000 0.000 0.196 572 K C 1.748 178.357 176.600 0.015 0.000 1.041 572 K CA 1.057 57.343 56.287 -0.002 0.000 0.954 572 K CB -0.624 31.860 32.500 -0.026 0.000 0.774 572 K HN 0.554 nan 8.250 nan 0.000 0.480 573 G N 0.573 109.399 108.800 0.044 0.000 3.192 573 G HA2 0.074 4.033 3.960 -0.000 0.000 0.239 573 G HA3 0.074 4.033 3.960 -0.000 0.000 0.239 573 G C 1.239 176.199 174.900 0.099 0.000 1.084 573 G CA -0.211 44.936 45.100 0.079 0.000 0.784 573 G HN 0.360 nan 8.290 nan 0.000 0.540 574 I N -2.951 117.668 120.570 0.082 0.000 3.860 574 I HA 0.353 4.522 4.170 -0.000 0.000 0.319 574 I C 0.787 176.941 176.117 0.062 0.000 1.279 574 I CA 0.074 61.432 61.300 0.097 0.000 1.220 574 I CB 0.512 38.566 38.000 0.091 0.000 1.027 574 I HN -0.135 nan 8.210 nan 0.000 0.428 575 D N 2.710 123.135 120.400 0.042 0.000 3.008 575 D HA 0.054 4.694 4.640 -0.000 0.000 0.242 575 D C 0.180 176.493 176.300 0.023 0.000 1.222 575 D CA 0.009 54.025 54.000 0.027 0.000 0.883 575 D CB 0.053 40.863 40.800 0.017 0.000 1.110 575 D HN 0.692 nan 8.370 nan 0.000 0.455 576 Q N -0.834 118.982 119.800 0.028 0.000 2.484 576 Q HA 0.427 4.767 4.340 -0.000 0.000 0.285 576 Q C -1.174 174.829 176.000 0.005 0.000 1.097 576 Q CA -1.286 54.526 55.803 0.015 0.000 0.802 576 Q CB 1.063 29.812 28.738 0.019 0.000 1.444 576 Q HN -0.091 nan 8.270 nan 0.000 0.429 577 N N 1.141 119.834 118.700 -0.011 0.000 2.446 577 N HA 0.394 5.134 4.740 -0.000 0.000 0.265 577 N C -1.606 173.868 175.510 -0.060 0.000 0.975 577 N CA -0.585 52.452 53.050 -0.023 0.000 0.928 577 N CB 0.999 39.476 38.487 -0.016 0.000 1.160 577 N HN 0.669 nan 8.380 nan 0.000 0.495 578 I N 2.998 123.520 120.570 -0.080 0.000 2.328 578 I HA 0.326 4.496 4.170 -0.000 0.000 0.287 578 I C 0.363 176.340 176.117 -0.234 0.000 1.012 578 I CA -0.670 60.516 61.300 -0.189 0.000 1.195 578 I CB 0.741 38.635 38.000 -0.178 0.000 1.350 578 I HN 0.540 nan 8.210 nan 0.000 0.464 579 E N 5.639 125.635 120.200 -0.339 0.000 2.355 579 E HA 0.730 5.080 4.350 -0.000 0.000 0.261 579 E C -1.479 174.728 176.600 -0.655 0.000 0.943 579 E CA -0.817 55.369 56.400 -0.358 0.000 0.806 579 E CB 2.098 31.691 29.700 -0.179 0.000 1.286 579 E HN 0.300 nan 8.360 nan 0.000 0.424 580 F N -0.473 119.354 119.950 -0.204 0.000 2.603 580 F HA 0.385 4.911 4.527 -0.001 0.000 0.317 580 F C -0.117 175.469 175.800 -0.356 0.000 1.066 580 F CA -0.992 56.893 58.000 -0.191 0.000 0.941 580 F CB 2.001 40.988 39.000 -0.021 0.000 1.291 580 F HN 0.368 nan 8.300 nan 0.000 0.472 581 H N 1.042 120.307 119.070 0.325 0.000 2.511 581 H HA 0.217 4.772 4.556 -0.000 0.000 0.328 581 H C 0.651 176.125 175.328 0.244 0.000 1.044 581 H CA -0.799 55.385 56.048 0.227 0.000 1.212 581 H CB 2.069 31.939 29.762 0.181 0.000 1.428 581 H HN 0.510 nan 8.280 nan 0.000 0.483 582 K N 3.217 123.798 120.400 0.302 0.000 2.107 582 K HA -0.176 4.144 4.320 -0.000 0.000 0.211 582 K C 0.994 177.822 176.600 0.381 0.000 1.049 582 K CA 1.588 58.039 56.287 0.273 0.000 0.927 582 K CB -0.339 32.294 32.500 0.222 0.000 0.714 582 K HN 1.046 nan 8.250 nan 0.000 0.452 583 G N -0.976 108.027 108.800 0.339 0.000 2.562 583 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.250 583 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.250 583 G C -0.917 174.157 174.900 0.291 0.000 1.269 583 G CA 0.287 45.582 45.100 0.325 0.000 0.919 583 G HN 0.507 nan 8.290 nan 0.000 0.574 584 Q N -0.275 119.636 119.800 0.185 0.000 2.479 584 Q HA 0.441 4.781 4.340 -0.000 0.000 0.276 584 Q C -2.733 173.071 176.000 -0.326 0.000 0.989 584 Q CA -1.319 54.395 55.803 -0.150 0.000 0.864 584 Q CB 2.921 31.639 28.738 -0.033 0.000 1.444 584 Q HN 0.580 nan 8.270 nan 0.000 0.388 585 P HA 0.170 nan 4.420 nan 0.000 0.275 585 P C -0.321 176.986 177.300 0.012 0.000 1.228 585 P CA -0.260 62.437 63.100 -0.671 0.000 0.786 585 P CB 0.339 31.253 31.700 -1.311 0.000 0.927 586 F N 0.889 120.847 119.950 0.013 0.000 2.628 586 F HA 0.035 4.562 4.527 -0.000 0.000 0.346 586 F C 1.626 177.511 175.800 0.142 0.000 1.188 586 F CA 0.170 58.213 58.000 0.073 0.000 1.376 586 F CB -0.490 38.554 39.000 0.074 0.000 1.104 586 F HN 0.283 nan 8.300 nan 0.000 0.616 587 K N 3.121 123.659 120.400 0.230 0.000 2.258 587 K HA 0.121 4.440 4.320 -0.000 0.000 0.264 587 K C -1.645 174.989 176.600 0.057 0.000 1.007 587 K CA -0.947 55.319 56.287 -0.034 0.000 0.941 587 K CB 0.375 32.782 32.500 -0.155 0.000 0.966 587 K HN 0.102 nan 8.250 nan 0.000 0.480 588 P HA -0.211 nan 4.420 nan 0.000 0.215 588 P C 0.726 178.152 177.300 0.210 0.000 1.163 588 P CA 1.495 64.646 63.100 0.084 0.000 0.894 588 P CB -0.004 31.658 31.700 -0.064 0.000 0.791 589 F N -0.092 119.867 119.950 0.016 0.000 2.161 589 F HA -0.180 4.347 4.527 -0.001 0.000 0.300 589 F C 2.354 178.081 175.800 -0.122 0.000 1.089 589 F CA 0.996 58.972 58.000 -0.040 0.000 1.282 589 F CB -1.843 37.143 39.000 -0.024 0.000 1.010 589 F HN 0.113 nan 8.300 nan 0.000 0.485 590 Q N -0.227 119.606 119.800 0.055 0.000 2.079 590 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 590 Q C 2.158 178.128 176.000 -0.050 0.000 0.974 590 Q CA 1.332 57.043 55.803 -0.154 0.000 0.840 590 Q CB -0.692 27.808 28.738 -0.396 0.000 0.898 590 Q HN 0.484 nan 8.270 nan 0.000 0.430 591 Q N 1.300 121.237 119.800 0.228 0.000 2.119 591 Q HA -0.128 4.211 4.340 -0.000 0.000 0.201 591 Q C 2.151 178.280 176.000 0.215 0.000 0.972 591 Q CA 0.819 56.871 55.803 0.415 0.000 0.847 591 Q CB -0.053 28.938 28.738 0.421 0.000 0.903 591 Q HN 0.458 nan 8.270 nan 0.000 0.433 592 L N 0.115 121.442 121.223 0.175 0.000 2.129 592 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 592 L C 2.514 179.420 176.870 0.059 0.000 1.087 592 L CA 0.959 55.872 54.840 0.120 0.000 0.757 592 L CB -0.127 42.013 42.059 0.135 0.000 0.896 592 L HN 0.377 nan 8.230 nan 0.000 0.434 593 M N -1.856 117.755 119.600 0.018 0.000 2.357 593 M HA -0.017 4.462 4.480 -0.000 0.000 0.266 593 M C 2.326 178.687 176.300 0.100 0.000 1.095 593 M CA 1.145 56.462 55.300 0.029 0.000 1.156 593 M CB -0.505 32.042 32.600 -0.089 0.000 1.365 593 M HN 0.243 nan 8.290 nan 0.000 0.447 594 A N 0.155 123.006 122.820 0.052 0.000 2.178 594 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 594 A C 0.973 178.559 177.584 0.003 0.000 1.157 594 A CA 0.743 52.793 52.037 0.022 0.000 0.689 594 A CB -0.143 18.968 19.000 0.185 0.000 0.787 594 A HN 0.271 nan 8.150 nan 0.000 0.465 595 V N -0.485 119.465 119.914 0.059 0.000 2.888 595 V HA 0.583 4.703 4.120 -0.000 0.000 0.309 595 V C -0.779 175.371 176.094 0.093 0.000 1.114 595 V CA -0.583 61.751 62.300 0.056 0.000 0.940 595 V CB 1.763 33.630 31.823 0.073 0.000 1.021 595 V HN 0.449 nan 8.190 nan 0.000 0.426 596 L N 4.523 125.807 121.223 0.101 0.000 1.161 596 L HA -0.013 4.326 4.340 -0.000 0.000 0.421 596 L C -2.863 174.130 176.870 0.205 0.000 1.003 596 L CA -0.735 54.173 54.840 0.114 0.000 1.159 596 L CB 0.427 42.532 42.059 0.078 0.000 1.272 596 L HN 0.544 nan 8.230 nan 0.000 0.727 597 P HA 0.260 nan 4.420 nan 0.000 0.285 597 P C -0.683 176.704 177.300 0.145 0.000 1.285 597 P CA -0.355 62.914 63.100 0.282 0.000 0.854 597 P CB 0.794 32.676 31.700 0.303 0.000 1.180 598 E N 0.207 120.493 120.200 0.143 0.000 2.705 598 E HA 0.008 4.358 4.350 -0.000 0.000 0.272 598 E C 0.909 177.509 176.600 -0.001 0.000 1.528 598 E CA 0.199 56.581 56.400 -0.029 0.000 1.750 598 E CB -0.241 29.408 29.700 -0.085 0.000 1.439 598 E HN 0.275 nan 8.360 nan 0.000 0.449 599 R N -0.563 119.933 120.500 -0.007 0.000 2.636 599 R HA 0.021 4.360 4.340 -0.000 0.000 0.259 599 R C 0.562 176.822 176.300 -0.067 0.000 0.970 599 R CA 0.510 56.587 56.100 -0.038 0.000 1.107 599 R CB 0.682 30.950 30.300 -0.053 0.000 1.687 599 R HN 0.132 nan 8.270 nan 0.000 0.527 600 S N 0.500 116.164 115.700 -0.060 0.000 2.661 600 S HA 0.092 4.562 4.470 -0.000 0.000 0.245 600 S C 0.931 175.488 174.600 -0.072 0.000 1.117 600 S CA -0.604 57.549 58.200 -0.079 0.000 1.091 600 S CB 0.717 63.856 63.200 -0.102 0.000 0.887 600 S HN 0.351 nan 8.310 nan 0.000 0.491 601 K N 2.984 123.339 120.400 -0.076 0.000 2.127 601 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 601 K C 1.517 178.069 176.600 -0.081 0.000 1.047 601 K CA 2.022 58.252 56.287 -0.094 0.000 0.927 601 K CB -0.940 31.493 32.500 -0.112 0.000 0.716 601 K HN 0.610 nan 8.250 nan 0.000 0.450 602 N N 1.439 120.096 118.700 -0.071 0.000 2.635 602 N HA -0.140 4.599 4.740 -0.000 0.000 0.191 602 N C 1.284 176.761 175.510 -0.054 0.000 1.155 602 N CA 0.917 53.931 53.050 -0.060 0.000 0.927 602 N CB -0.182 38.273 38.487 -0.054 0.000 0.976 602 N HN 0.349 nan 8.380 nan 0.000 0.448 603 L N 0.160 121.347 121.223 -0.060 0.000 2.529 603 L HA 0.322 4.662 4.340 -0.000 0.000 0.223 603 L C 0.874 177.712 176.870 -0.054 0.000 1.113 603 L CA 0.055 54.868 54.840 -0.044 0.000 0.861 603 L CB 0.055 42.085 42.059 -0.047 0.000 1.012 603 L HN 0.027 nan 8.230 nan 0.000 0.461 604 I N 1.731 122.255 120.570 -0.077 0.000 2.472 604 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 604 I C -1.783 174.270 176.117 -0.106 0.000 1.016 604 I CA -2.067 59.164 61.300 -0.115 0.000 1.348 604 I CB 0.994 38.931 38.000 -0.104 0.000 1.417 604 I HN -0.197 nan 8.210 nan 0.000 0.521 605 P HA -0.052 nan 4.420 nan 0.000 0.250 605 P C -0.147 177.100 177.300 -0.088 0.000 1.161 605 P CA 0.056 63.063 63.100 -0.155 0.000 0.863 605 P CB -0.216 31.320 31.700 -0.274 0.000 0.827 606 V N 5.268 125.133 119.914 -0.081 0.000 2.484 606 V HA -0.115 4.005 4.120 -0.000 0.000 0.276 606 V C 1.605 177.632 176.094 -0.112 0.000 0.976 606 V CA 1.280 63.533 62.300 -0.079 0.000 1.141 606 V CB -0.434 31.352 31.823 -0.062 0.000 0.975 606 V HN 0.505 nan 8.190 nan 0.000 0.466 607 V N 3.767 123.590 119.914 -0.151 0.000 3.580 607 V HA -0.017 4.103 4.120 -0.000 0.000 0.281 607 V C -0.136 175.742 176.094 -0.361 0.000 1.855 607 V CA -0.178 61.977 62.300 -0.242 0.000 1.091 607 V CB -0.917 30.675 31.823 -0.384 0.000 0.949 607 V HN 0.585 nan 8.190 nan 0.000 0.331 622 F N -1.689 118.161 119.950 -0.166 0.000 2.795 622 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 622 F C -0.758 174.507 175.800 -0.891 0.000 0.699 622 F CA 0.202 57.907 58.000 -0.492 0.000 1.384 622 F CB -1.344 37.254 39.000 -0.670 0.000 1.672 622 F HN 0.354 nan 8.300 nan 0.000 0.345 623 Y N -0.881 119.491 120.300 0.121 0.000 2.882 623 Y HA 0.203 4.753 4.550 -0.000 0.000 0.251 623 Y C -1.890 174.041 175.900 0.051 0.000 0.961 623 Y CA -1.557 56.586 58.100 0.072 0.000 1.175 623 Y CB -0.139 38.367 38.460 0.078 0.000 1.155 623 Y HN -0.180 nan 8.280 nan 0.000 0.568 624 P HA 0.181 nan 4.420 nan 0.000 0.280 624 P C -0.142 177.275 177.300 0.195 0.000 1.278 624 P CA 0.139 63.270 63.100 0.052 0.000 0.787 624 P CB 1.155 32.781 31.700 -0.124 0.000 1.163 625 N N -1.936 116.878 118.700 0.190 0.000 2.143 625 N HA 0.150 4.889 4.740 -0.000 0.000 0.222 625 N C -0.308 175.379 175.510 0.295 0.000 1.264 625 N CA 0.160 53.371 53.050 0.269 0.000 0.897 625 N CB 0.829 39.399 38.487 0.139 0.000 1.092 625 N HN 0.367 nan 8.380 nan 0.000 0.516 626 E N 0.172 120.492 120.200 0.199 0.000 2.314 626 E HA 0.640 4.989 4.350 -0.000 0.000 0.272 626 E C -1.133 175.436 176.600 -0.051 0.000 0.884 626 E CA -0.625 55.863 56.400 0.146 0.000 0.753 626 E CB 2.746 32.483 29.700 0.062 0.000 1.213 626 E HN -0.243 nan 8.360 nan 0.000 0.432 642 V N 3.664 123.442 119.914 -0.227 0.000 2.311 642 V HA 0.406 4.526 4.120 -0.000 0.000 0.275 642 V C 0.808 176.598 176.094 -0.507 0.000 1.022 642 V CA -0.512 61.636 62.300 -0.254 0.000 0.830 642 V CB 1.372 33.099 31.823 -0.160 0.000 1.012 642 V HN 0.864 nan 8.190 nan 0.000 0.452 643 K N 4.638 124.741 120.400 -0.495 0.000 3.006 643 K HA 0.332 4.652 4.320 -0.000 0.000 0.265 643 K C -0.080 176.262 176.600 -0.430 0.000 1.279 643 K CA -0.010 55.870 56.287 -0.678 0.000 1.229 643 K CB 0.271 32.606 32.500 -0.274 0.000 1.555 643 K HN 0.633 nan 8.250 nan 0.000 0.300 644 I N 1.205 121.500 120.570 -0.459 0.000 2.519 644 I HA -0.016 4.154 4.170 -0.000 0.000 0.287 644 I C 0.248 176.202 176.117 -0.272 0.000 1.047 644 I CA -0.073 61.009 61.300 -0.363 0.000 1.381 644 I CB 1.000 38.758 38.000 -0.402 0.000 1.417 644 I HN 0.265 nan 8.210 nan 0.000 0.540 645 S N 6.073 121.638 115.700 -0.225 0.000 2.576 645 S HA 0.198 4.668 4.470 -0.000 0.000 0.272 645 S C -0.518 173.899 174.600 -0.306 0.000 1.352 645 S CA -0.276 57.839 58.200 -0.141 0.000 1.021 645 S CB 0.274 63.418 63.200 -0.092 0.000 0.887 645 S HN 0.362 nan 8.310 nan 0.000 0.542 646 F N 1.037 120.873 119.950 -0.191 0.000 2.411 646 F HA 0.353 4.879 4.527 -0.001 0.000 0.350 646 F C 0.682 176.230 175.800 -0.420 0.000 1.114 646 F CA -1.038 56.806 58.000 -0.261 0.000 1.135 646 F CB 0.680 39.569 39.000 -0.185 0.000 1.120 646 F HN 0.379 nan 8.300 nan 0.000 0.495 647 V N 0.099 119.751 119.914 -0.437 0.000 2.872 647 V HA 0.013 4.133 4.120 -0.000 0.000 0.307 647 V C 0.193 176.025 176.094 -0.437 0.000 1.072 647 V CA -0.727 61.069 62.300 -0.839 0.000 1.148 647 V CB 0.883 32.269 31.823 -0.728 0.000 0.954 647 V HN 0.789 nan 8.190 nan 0.000 0.490 648 D N 3.327 123.546 120.400 -0.301 0.000 2.441 648 D HA 0.076 4.716 4.640 -0.000 0.000 0.221 648 D C 0.948 177.310 176.300 0.102 0.000 1.156 648 D CA -0.042 54.010 54.000 0.086 0.000 0.896 648 D CB 1.363 42.355 40.800 0.321 0.000 1.028 648 D HN 0.879 nan 8.370 nan 0.000 0.509 649 Q N 3.937 123.750 119.800 0.022 0.000 2.133 649 Q HA -0.244 4.095 4.340 -0.000 0.000 0.208 649 Q C 1.484 177.509 176.000 0.042 0.000 0.991 649 Q CA 1.460 57.284 55.803 0.034 0.000 0.867 649 Q CB 0.255 29.057 28.738 0.107 0.000 0.911 649 Q HN 0.438 nan 8.270 nan 0.000 0.417 650 K N -0.020 120.419 120.400 0.066 0.000 2.026 650 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 650 K C 2.258 178.892 176.600 0.058 0.000 1.048 650 K CA 1.332 57.653 56.287 0.057 0.000 0.929 650 K CB -0.086 32.448 32.500 0.057 0.000 0.713 650 K HN 0.055 nan 8.250 nan 0.000 0.439 651 R N 0.372 120.924 120.500 0.086 0.000 2.159 651 R HA -0.154 4.185 4.340 -0.000 0.000 0.237 651 R C 2.115 178.462 176.300 0.079 0.000 1.131 651 R CA 1.131 57.277 56.100 0.076 0.000 0.982 651 R CB -0.080 30.280 30.300 0.100 0.000 0.868 651 R HN 0.164 nan 8.270 nan 0.000 0.453 652 L N -0.982 120.308 121.223 0.111 0.000 2.121 652 L HA 0.008 4.347 4.340 -0.000 0.000 0.200 652 L C 1.905 178.780 176.870 0.008 0.000 1.077 652 L CA 1.158 56.054 54.840 0.093 0.000 0.766 652 L CB -0.572 41.542 42.059 0.092 0.000 0.931 652 L HN -0.108 nan 8.230 nan 0.000 0.452 653 V N 0.503 120.388 119.914 -0.048 0.000 2.313 653 V HA -0.391 3.729 4.120 -0.000 0.000 0.253 653 V C 2.548 178.653 176.094 0.020 0.000 1.070 653 V CA 2.413 64.684 62.300 -0.049 0.000 1.057 653 V CB -0.681 31.110 31.823 -0.054 0.000 0.653 653 V HN 0.537 nan 8.190 nan 0.000 0.450 654 E N -0.071 120.149 120.200 0.034 0.000 2.015 654 E HA -0.137 4.212 4.350 -0.000 0.000 0.191 654 E C 2.283 178.933 176.600 0.084 0.000 0.991 654 E CA 1.181 57.612 56.400 0.052 0.000 0.802 654 E CB -0.447 29.276 29.700 0.039 0.000 0.759 654 E HN 0.576 nan 8.360 nan 0.000 0.447 655 A N 0.515 123.383 122.820 0.080 0.000 2.139 655 A HA -0.200 4.120 4.320 -0.000 0.000 0.221 655 A C 1.998 179.712 177.584 0.217 0.000 1.159 655 A CA 1.412 53.519 52.037 0.118 0.000 0.662 655 A CB -0.443 18.591 19.000 0.057 0.000 0.796 655 A HN 0.193 nan 8.150 nan 0.000 0.463 656 M N -1.733 117.986 119.600 0.198 0.000 2.466 656 M HA 0.104 4.584 4.480 -0.000 0.000 0.265 656 M C 2.428 178.952 176.300 0.373 0.000 1.122 656 M CA 0.831 56.326 55.300 0.325 0.000 1.157 656 M CB -0.028 32.674 32.600 0.170 0.000 1.352 656 M HN 0.401 nan 8.290 nan 0.000 0.464 657 A N 1.283 124.230 122.820 0.211 0.000 1.978 657 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 657 A C -0.475 177.167 177.584 0.096 0.000 1.170 657 A CA 1.226 53.347 52.037 0.140 0.000 0.636 657 A CB -1.913 17.134 19.000 0.079 0.000 0.810 657 A HN 0.270 nan 8.150 nan 0.000 0.448 658 P HA -0.227 nan 4.420 nan 0.000 0.216 658 P C 0.842 178.046 177.300 -0.159 0.000 1.167 658 P CA 1.700 64.731 63.100 -0.114 0.000 0.933 658 P CB -0.441 31.105 31.700 -0.256 0.000 0.793 659 Y N -1.053 119.248 120.300 0.001 0.000 2.583 659 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 659 Y C 2.215 178.078 175.900 -0.061 0.000 1.157 659 Y CA 0.219 58.266 58.100 -0.089 0.000 1.315 659 Y CB -1.017 37.311 38.460 -0.220 0.000 1.021 659 Y HN -0.036 nan 8.280 nan 0.000 0.536 660 D N 0.976 121.484 120.400 0.180 0.000 2.103 660 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 660 D C 2.206 178.559 176.300 0.089 0.000 0.997 660 D CA 1.697 55.793 54.000 0.161 0.000 0.833 660 D CB -0.247 40.630 40.800 0.128 0.000 0.961 660 D HN 0.302 nan 8.370 nan 0.000 0.447 661 A N -0.336 122.507 122.820 0.038 0.000 2.239 661 A HA -0.068 4.252 4.320 -0.000 0.000 0.209 661 A C 1.676 179.263 177.584 0.005 0.000 1.171 661 A CA 0.734 52.781 52.037 0.016 0.000 0.768 661 A CB -0.188 18.810 19.000 -0.003 0.000 0.790 661 A HN 0.140 nan 8.150 nan 0.000 0.478 662 K N -0.389 120.009 120.400 -0.004 0.000 2.417 662 K HA 0.298 4.617 4.320 -0.000 0.000 0.196 662 K C -0.321 176.272 176.600 -0.012 0.000 1.023 662 K CA -0.184 56.090 56.287 -0.023 0.000 1.122 662 K CB 0.006 32.476 32.500 -0.050 0.000 0.850 662 K HN 0.447 nan 8.250 nan 0.000 0.521 663 L N 0.618 121.858 121.223 0.027 0.000 2.439 663 L HA 0.140 4.479 4.340 -0.000 0.000 0.261 663 L C 0.785 177.686 176.870 0.051 0.000 1.153 663 L CA -0.494 54.383 54.840 0.061 0.000 0.808 663 L CB 0.930 43.088 42.059 0.164 0.000 1.126 663 L HN -0.015 nan 8.230 nan 0.000 0.460 664 S N 1.174 116.909 115.700 0.058 0.000 2.632 664 S HA 0.085 4.555 4.470 -0.000 0.000 0.254 664 S C -1.722 172.906 174.600 0.047 0.000 1.291 664 S CA -0.607 57.620 58.200 0.044 0.000 0.974 664 S CB -0.172 63.055 63.200 0.046 0.000 1.016 664 S HN 0.535 nan 8.310 nan 0.000 0.579 665 P HA 0.134 nan 4.420 nan 0.000 0.230 665 P C -0.064 177.261 177.300 0.041 0.000 1.168 665 P CA 0.638 63.756 63.100 0.031 0.000 0.793 665 P CB -0.060 31.651 31.700 0.017 0.000 0.851 666 D N -0.133 120.301 120.400 0.055 0.000 2.183 666 D HA -0.124 4.516 4.640 -0.000 0.000 0.203 666 D C 1.698 178.071 176.300 0.121 0.000 0.969 666 D CA 0.946 54.989 54.000 0.072 0.000 0.842 666 D CB -0.339 40.503 40.800 0.070 0.000 0.957 666 D HN 0.317 nan 8.370 nan 0.000 0.484 667 E N 0.701 121.003 120.200 0.171 0.000 2.112 667 E HA -0.028 4.321 4.350 -0.000 0.000 0.190 667 E C 1.730 178.457 176.600 0.210 0.000 0.979 667 E CA 0.516 57.127 56.400 0.352 0.000 0.814 667 E CB 0.026 29.953 29.700 0.378 0.000 0.762 667 E HN 0.189 nan 8.360 nan 0.000 0.460 668 K N 1.170 121.632 120.400 0.103 0.000 2.209 668 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 668 K C 1.987 178.545 176.600 -0.071 0.000 1.048 668 K CA 0.830 57.111 56.287 -0.010 0.000 0.940 668 K CB 0.033 32.537 32.500 0.007 0.000 0.729 668 K HN 0.005 nan 8.250 nan 0.000 0.451 669 K N 0.609 120.997 120.400 -0.021 0.000 2.001 669 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 669 K C 2.138 178.702 176.600 -0.061 0.000 1.048 669 K CA 1.173 57.442 56.287 -0.030 0.000 0.932 669 K CB -0.036 32.471 32.500 0.013 0.000 0.715 669 K HN -0.006 nan 8.250 nan 0.000 0.437 670 R N 0.634 121.124 120.500 -0.017 0.000 2.193 670 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 670 R C 1.042 177.131 176.300 -0.353 0.000 1.110 670 R CA 1.006 57.094 56.100 -0.019 0.000 0.988 670 R CB -0.113 30.326 30.300 0.231 0.000 0.871 670 R HN 0.066 nan 8.270 nan 0.000 0.458 671 N N 0.325 118.623 118.700 -0.671 0.000 2.451 671 N HA 0.017 4.756 4.740 -0.000 0.000 0.264 671 N C -1.235 173.909 175.510 -0.611 0.000 1.167 671 N CA -0.264 52.188 53.050 -0.996 0.000 0.898 671 N CB 0.427 38.113 38.487 -1.336 0.000 1.176 671 N HN 0.124 nan 8.380 nan 0.000 0.507 672 S N -1.758 113.654 115.700 -0.480 0.000 2.911 672 S HA 0.624 5.093 4.470 -0.000 0.000 0.319 672 S C -0.813 173.520 174.600 -0.444 0.000 1.154 672 S CA -0.773 57.103 58.200 -0.540 0.000 0.857 672 S CB 0.969 63.995 63.200 -0.290 0.000 1.279 672 S HN -0.062 nan 8.310 nan 0.000 0.593 673 F N 0.377 120.285 119.950 -0.070 0.000 2.522 673 F HA 0.818 5.345 4.527 -0.000 0.000 0.324 673 F C 0.996 176.747 175.800 -0.081 0.000 1.077 673 F CA -0.457 57.504 58.000 -0.065 0.000 0.944 673 F CB 1.672 40.635 39.000 -0.060 0.000 1.175 673 F HN 0.984 nan 8.300 nan 0.000 0.468 674 G N -0.162 108.711 108.800 0.122 0.000 2.736 674 G HA2 0.643 4.603 3.960 -0.000 0.000 0.229 674 G HA3 0.643 4.603 3.960 -0.000 0.000 0.229 674 G C -0.831 173.991 174.900 -0.129 0.000 1.380 674 G CA -0.351 44.727 45.100 -0.037 0.000 1.040 674 G HN 0.734 nan 8.290 nan 0.000 0.568 675 T N -2.101 112.295 114.554 -0.264 0.000 2.896 675 T HA 0.475 4.824 4.350 -0.000 0.000 0.297 675 T C -1.230 173.340 174.700 -0.218 0.000 1.108 675 T CA -0.752 61.113 62.100 -0.391 0.000 1.004 675 T CB 2.142 70.270 68.868 -1.234 0.000 1.159 675 T HN 0.291 nan 8.240 nan 0.000 0.499 676 D N 1.264 121.614 120.400 -0.083 0.000 2.443 676 D HA 0.299 4.939 4.640 -0.000 0.000 0.239 676 D C -0.065 176.237 176.300 0.004 0.000 1.136 676 D CA 0.266 54.252 54.000 -0.024 0.000 0.879 676 D CB 0.637 41.466 40.800 0.049 0.000 1.195 676 D HN 0.447 nan 8.370 nan 0.000 0.443 677 L N 1.812 123.059 121.223 0.040 0.000 2.330 677 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 677 L C 0.056 176.894 176.870 -0.054 0.000 1.013 677 L CA -0.954 53.869 54.840 -0.029 0.000 0.816 677 L CB 1.934 43.975 42.059 -0.030 0.000 1.287 677 L HN 0.251 nan 8.230 nan 0.000 0.435 678 I N 0.926 121.347 120.570 -0.248 0.000 2.545 678 I HA 0.510 4.680 4.170 -0.000 0.000 0.292 678 I C -1.559 174.361 176.117 -0.328 0.000 1.040 678 I CA -0.254 60.979 61.300 -0.112 0.000 1.068 678 I CB 1.691 39.705 38.000 0.023 0.000 1.251 678 I HN 0.312 nan 8.210 nan 0.000 0.424 679 F N 7.455 127.428 119.950 0.039 0.000 2.493 679 F HA 0.626 5.153 4.527 -0.000 0.000 0.329 679 F C -0.391 175.423 175.800 0.023 0.000 1.126 679 F CA -0.542 57.453 58.000 -0.010 0.000 0.937 679 F CB 1.522 40.478 39.000 -0.073 0.000 1.146 679 F HN 0.134 nan 8.300 nan 0.000 0.442 680 I N 2.588 123.248 120.570 0.150 0.000 2.846 680 I HA 0.439 4.609 4.170 -0.000 0.000 0.307 680 I C -1.014 175.187 176.117 0.141 0.000 1.053 680 I CA -0.933 60.448 61.300 0.135 0.000 1.050 680 I CB 1.959 40.008 38.000 0.081 0.000 1.239 680 I HN 0.438 nan 8.210 nan 0.000 0.439 681 F N 3.947 123.905 119.950 0.015 0.000 2.422 681 F HA 0.625 5.152 4.527 -0.000 0.000 0.333 681 F C -0.394 175.401 175.800 -0.009 0.000 1.095 681 F CA -0.278 57.711 58.000 -0.017 0.000 1.038 681 F CB 0.969 39.964 39.000 -0.009 0.000 1.156 681 F HN 0.417 nan 8.300 nan 0.000 0.483 682 N N 6.993 125.143 118.700 -0.917 0.000 2.629 682 N HA 0.299 5.039 4.740 -0.000 0.000 0.277 682 N C -2.529 172.519 175.510 -0.770 0.000 1.188 682 N CA -1.813 50.865 53.050 -0.620 0.000 0.835 682 N CB 2.077 40.405 38.487 -0.265 0.000 1.420 682 N HN 0.197 nan 8.380 nan 0.000 0.542 683 P HA -0.061 nan 4.420 nan 0.000 0.220 683 P C 0.465 177.647 177.300 -0.198 0.000 1.148 683 P CA 1.156 64.016 63.100 -0.401 0.000 0.803 683 P CB 0.427 32.067 31.700 -0.100 0.000 0.782 684 Q N -0.484 119.222 119.800 -0.157 0.000 2.253 684 Q HA 0.159 4.499 4.340 -0.000 0.000 0.210 684 Q C -0.073 175.885 176.000 -0.070 0.000 0.907 684 Q CA -0.023 55.732 55.803 -0.079 0.000 0.948 684 Q CB 0.017 28.725 28.738 -0.050 0.000 1.033 684 Q HN 0.162 nan 8.270 nan 0.000 0.471 685 V N 1.290 121.140 119.914 -0.107 0.000 2.459 685 V HA 0.323 4.443 4.120 -0.000 0.000 0.295 685 V C -0.201 175.893 176.094 0.000 0.000 1.029 685 V CA -0.578 61.697 62.300 -0.041 0.000 0.874 685 V CB 2.162 33.953 31.823 -0.053 0.000 0.985 685 V HN 0.064 nan 8.190 nan 0.000 0.438 686 D N 3.080 123.523 120.400 0.071 0.000 2.472 686 D HA 0.262 4.902 4.640 -0.000 0.000 0.248 686 D C -0.422 175.961 176.300 0.137 0.000 1.271 686 D CA -0.021 54.044 54.000 0.108 0.000 0.888 686 D CB 1.569 42.414 40.800 0.075 0.000 1.337 686 D HN 0.733 nan 8.370 nan 0.000 0.526 687 T N -1.741 112.940 114.554 0.212 0.000 2.907 687 T HA 0.675 5.024 4.350 -0.000 0.000 0.290 687 T C -0.330 174.412 174.700 0.069 0.000 1.066 687 T CA -0.592 61.582 62.100 0.123 0.000 1.012 687 T CB 1.817 70.743 68.868 0.096 0.000 1.184 687 T HN -0.120 nan 8.240 nan 0.000 0.522 688 V N 1.990 121.889 119.914 -0.024 0.000 2.427 688 V HA 0.428 4.548 4.120 -0.000 0.000 0.286 688 V C -1.081 174.941 176.094 -0.119 0.000 1.034 688 V CA -0.859 61.415 62.300 -0.043 0.000 0.893 688 V CB 0.733 32.526 31.823 -0.050 0.000 0.982 688 V HN 0.899 nan 8.190 nan 0.000 0.452 689 Y N 4.762 124.944 120.300 -0.196 0.000 2.345 689 Y HA 0.453 5.003 4.550 -0.000 0.000 0.331 689 Y C 0.346 176.199 175.900 -0.078 0.000 0.959 689 Y CA -0.893 57.073 58.100 -0.224 0.000 1.204 689 Y CB 0.970 39.221 38.460 -0.349 0.000 1.135 689 Y HN 0.496 nan 8.280 nan 0.000 0.477 690 K N 3.898 124.176 120.400 -0.204 0.000 2.322 690 K HA 0.103 4.423 4.320 -0.000 0.000 0.283 690 K C 0.105 176.668 176.600 -0.061 0.000 1.042 690 K CA -0.217 56.002 56.287 -0.113 0.000 0.958 690 K CB 1.356 33.739 32.500 -0.195 0.000 0.984 690 K HN 0.681 nan 8.250 nan 0.000 0.473 691 T N 3.505 117.991 114.554 -0.112 0.000 2.851 691 T HA 0.179 4.529 4.350 -0.000 0.000 0.298 691 T C -1.611 172.870 174.700 -0.365 0.000 0.977 691 T CA -1.275 60.561 62.100 -0.440 0.000 1.126 691 T CB 0.425 69.045 68.868 -0.413 0.000 0.916 691 T HN 0.320 nan 8.240 nan 0.000 0.529 692 P HA 0.336 nan 4.420 nan 0.000 0.254 692 P C -0.678 176.422 177.300 -0.334 0.000 1.494 692 P CA -0.039 62.872 63.100 -0.317 0.000 0.961 692 P CB -0.026 31.506 31.700 -0.280 0.000 1.493 693 L N -0.851 120.159 121.223 -0.355 0.000 2.409 693 L HA 0.675 5.015 4.340 -0.000 0.000 0.262 693 L C 0.678 177.541 176.870 -0.013 0.000 0.992 693 L CA -0.984 53.714 54.840 -0.237 0.000 0.817 693 L CB 2.021 43.795 42.059 -0.475 0.000 1.350 693 L HN -0.186 nan 8.230 nan 0.000 0.411 694 A N 1.625 124.484 122.820 0.065 0.000 3.591 694 A HA 0.779 5.099 4.320 -0.000 0.000 0.163 694 A C 1.258 178.948 177.584 0.177 0.000 1.876 694 A CA 0.508 52.600 52.037 0.091 0.000 1.380 694 A CB -1.129 17.896 19.000 0.041 0.000 1.777 694 A HN 0.978 nan 8.150 nan 0.000 0.720 695 G N -0.700 108.156 108.800 0.092 0.000 2.674 695 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.375 695 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.375 695 G C 0.890 175.765 174.900 -0.041 0.000 1.175 695 G CA 1.378 46.494 45.100 0.026 0.000 0.925 695 G HN 0.951 nan 8.290 nan 0.000 0.606 696 L N 0.515 121.608 121.223 -0.216 0.000 2.599 696 L HA 0.333 4.672 4.340 -0.000 0.000 0.230 696 L C 0.427 177.092 176.870 -0.341 0.000 1.141 696 L CA -0.326 54.318 54.840 -0.326 0.000 0.877 696 L CB -0.190 41.594 42.059 -0.459 0.000 1.009 696 L HN 0.179 nan 8.230 nan 0.000 0.447 697 F N -0.082 119.901 119.950 0.055 0.000 2.399 697 F HA 0.329 4.856 4.527 -0.001 0.000 0.334 697 F C 0.710 176.550 175.800 0.067 0.000 1.097 697 F CA -0.606 57.461 58.000 0.112 0.000 1.076 697 F CB 0.762 39.848 39.000 0.144 0.000 1.162 697 F HN -0.041 nan 8.300 nan 0.000 0.495 698 N N 0.364 119.234 118.700 0.284 0.000 3.167 698 N HA 0.271 5.011 4.740 -0.000 0.000 0.323 698 N C -1.685 173.955 175.510 0.217 0.000 1.478 698 N CA -0.879 52.273 53.050 0.170 0.000 0.753 698 N CB 0.656 39.202 38.487 0.099 0.000 1.721 698 N HN 0.454 nan 8.380 nan 0.000 0.618 699 D N 0.363 120.844 120.400 0.135 0.000 2.341 699 D HA 0.282 4.921 4.640 -0.000 0.000 0.245 699 D C -0.080 176.323 176.300 0.171 0.000 1.106 699 D CA 0.036 54.130 54.000 0.156 0.000 0.905 699 D CB 0.920 41.754 40.800 0.057 0.000 1.202 699 D HN 0.284 nan 8.370 nan 0.000 0.426 700 I N 2.742 123.445 120.570 0.222 0.000 2.308 700 I HA 0.053 4.223 4.170 -0.000 0.000 0.293 700 I C 0.923 177.117 176.117 0.129 0.000 1.078 700 I CA -0.376 61.029 61.300 0.176 0.000 1.292 700 I CB 0.148 38.281 38.000 0.221 0.000 1.423 700 I HN 0.236 nan 8.210 nan 0.000 0.493 701 E N 4.762 124.991 120.200 0.048 0.000 3.196 701 E HA 0.039 4.389 4.350 -0.000 0.000 0.268 701 E C 1.354 177.966 176.600 0.020 0.000 1.430 701 E CA -0.242 56.097 56.400 -0.101 0.000 1.176 701 E CB 0.052 29.514 29.700 -0.397 0.000 1.228 701 E HN 0.646 nan 8.360 nan 0.000 0.730 702 H N -0.361 118.760 119.070 0.085 0.000 2.539 702 H HA -0.150 4.405 4.556 -0.000 0.000 0.295 702 H C 0.104 175.478 175.328 0.077 0.000 1.092 702 H CA 0.897 56.990 56.048 0.074 0.000 1.185 702 H CB -0.196 29.597 29.762 0.051 0.000 1.343 702 H HN 0.128 nan 8.280 nan 0.000 0.577 703 N N 0.483 119.369 118.700 0.310 0.000 2.321 703 N HA -0.019 4.721 4.740 -0.000 0.000 0.242 703 N C -0.462 175.139 175.510 0.152 0.000 1.141 703 N CA -0.121 53.048 53.050 0.198 0.000 0.864 703 N CB 0.163 38.760 38.487 0.184 0.000 1.100 703 N HN 0.430 nan 8.380 nan 0.000 0.510 704 H N -0.317 118.809 119.070 0.094 0.000 2.527 704 H HA 0.262 4.817 4.556 -0.000 0.000 0.321 704 H C -0.288 175.076 175.328 0.060 0.000 1.087 704 H CA 0.016 56.113 56.048 0.082 0.000 1.337 704 H CB 0.950 30.781 29.762 0.115 0.000 1.440 704 H HN 0.134 nan 8.280 nan 0.000 0.490 705 C N 5.960 124.782 119.300 -0.797 0.000 3.626 705 C HA 0.272 4.731 4.460 -0.000 0.000 0.276 705 C C -0.119 174.589 174.990 -0.471 0.000 1.694 705 C CA -0.416 58.315 59.018 -0.477 0.000 1.785 705 C CB -1.079 26.461 27.740 -0.333 0.000 3.152 705 C HN 0.526 nan 8.230 nan 0.000 0.571 706 I N 2.683 122.914 120.570 -0.565 0.000 2.566 706 I HA 0.426 4.596 4.170 -0.000 0.000 0.303 706 I C 0.179 176.360 176.117 0.106 0.000 0.983 706 I CA -0.256 60.944 61.300 -0.167 0.000 1.235 706 I CB 0.734 38.568 38.000 -0.276 0.000 1.386 706 I HN 0.219 nan 8.210 nan 0.000 0.494 707 E N 4.848 125.087 120.200 0.065 0.000 2.256 707 E HA 0.568 4.918 4.350 -0.000 0.000 0.267 707 E C -1.169 175.444 176.600 0.021 0.000 0.892 707 E CA -0.987 55.491 56.400 0.130 0.000 0.775 707 E CB 1.674 31.426 29.700 0.087 0.000 1.207 707 E HN 0.450 nan 8.360 nan 0.000 0.420 708 R N 1.262 121.779 120.500 0.028 0.000 2.532 708 R HA 0.614 4.954 4.340 -0.000 0.000 0.272 708 R C -0.098 176.115 176.300 -0.145 0.000 1.032 708 R CA -0.635 55.303 56.100 -0.270 0.000 1.089 708 R CB 1.063 31.238 30.300 -0.208 0.000 1.098 708 R HN 0.629 nan 8.270 nan 0.000 0.526 709 E N 0.392 120.472 120.200 -0.200 0.000 2.430 709 E HA 0.189 4.539 4.350 -0.000 0.000 0.279 709 E C -1.601 175.019 176.600 0.034 0.000 1.003 709 E CA -0.791 55.590 56.400 -0.033 0.000 0.801 709 E CB 2.144 31.844 29.700 0.001 0.000 1.313 709 E HN 0.412 nan 8.360 nan 0.000 0.459 710 F N 2.783 122.701 119.950 -0.054 0.000 2.495 710 F HA 0.241 4.767 4.527 -0.000 0.000 0.365 710 F C -0.066 175.728 175.800 -0.010 0.000 1.090 710 F CA -0.497 57.489 58.000 -0.022 0.000 1.235 710 F CB 0.420 39.421 39.000 0.002 0.000 1.119 710 F HN 0.265 nan 8.300 nan 0.000 0.562 711 I N 9.124 129.983 120.570 0.483 0.000 2.342 711 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 711 I C -2.012 174.267 176.117 0.271 0.000 1.010 711 I CA -2.089 59.377 61.300 0.278 0.000 1.308 711 I CB 1.582 39.700 38.000 0.196 0.000 1.400 711 I HN 0.574 nan 8.210 nan 0.000 0.488 712 P HA 0.094 nan 4.420 nan 0.000 0.196 712 P C 0.176 177.528 177.300 0.088 0.000 1.151 712 P CA 0.785 63.870 63.100 -0.025 0.000 0.857 712 P CB 0.406 32.040 31.700 -0.110 0.000 0.703 713 E N -3.188 117.059 120.200 0.077 0.000 2.963 713 E HA -0.120 4.230 4.350 -0.000 0.000 0.157 713 E C -0.835 175.787 176.600 0.037 0.000 0.597 713 E CA 0.766 57.221 56.400 0.091 0.000 2.671 713 E CB -1.251 28.515 29.700 0.109 0.000 2.615 713 E HN 0.154 nan 8.360 nan 0.000 0.738 714 S N 0.148 115.857 115.700 0.015 0.000 3.791 714 S HA -0.224 4.245 4.470 -0.000 0.000 0.393 714 S C -0.040 174.556 174.600 -0.008 0.000 0.936 714 S CA 1.249 59.447 58.200 -0.002 0.000 1.234 714 S CB -2.230 60.969 63.200 -0.001 0.000 0.891 714 S HN 0.424 nan 8.310 nan 0.000 0.519 715 M N 1.007 120.603 119.600 -0.007 0.000 2.114 715 M HA 0.821 5.301 4.480 -0.000 0.000 0.293 715 M C 0.643 176.926 176.300 -0.029 0.000 1.201 715 M CA 0.539 55.826 55.300 -0.022 0.000 1.107 715 M CB 0.832 33.422 32.600 -0.018 0.000 1.405 715 M HN 0.710 nan 8.290 nan 0.000 0.486 716 E N -0.803 119.370 120.200 -0.045 0.000 1.740 716 E HA 0.342 4.691 4.350 -0.000 0.000 0.141 716 E C -1.376 175.191 176.600 -0.056 0.000 1.657 716 E CA -0.447 55.928 56.400 -0.041 0.000 1.018 716 E CB 0.642 30.322 29.700 -0.035 0.000 1.903 716 E HN 0.605 nan 8.360 nan 0.000 0.626 717 N N 0.700 119.370 118.700 -0.051 0.000 3.124 717 N HA 0.242 4.982 4.740 -0.000 0.000 0.284 717 N C -1.096 174.370 175.510 -0.074 0.000 1.209 717 N CA 0.075 53.088 53.050 -0.061 0.000 1.149 717 N CB 0.416 38.876 38.487 -0.044 0.000 1.434 717 N HN 0.025 nan 8.380 nan 0.000 0.529 718 V N 0.962 120.813 119.914 -0.104 0.000 2.495 718 V HA 0.272 4.391 4.120 -0.000 0.000 0.298 718 V C 0.434 176.410 176.094 -0.197 0.000 1.031 718 V CA -0.936 61.294 62.300 -0.117 0.000 0.871 718 V CB 2.148 33.914 31.823 -0.096 0.000 0.988 718 V HN 0.276 nan 8.190 nan 0.000 0.432 719 K N 3.410 123.711 120.400 -0.164 0.000 2.126 719 K HA 0.522 4.842 4.320 -0.000 0.000 0.257 719 K C -0.455 176.020 176.600 -0.209 0.000 1.007 719 K CA -0.293 55.867 56.287 -0.212 0.000 0.928 719 K CB 0.956 33.414 32.500 -0.070 0.000 1.013 719 K HN 0.437 nan 8.250 nan 0.000 0.473 720 F N 1.272 121.131 119.950 -0.153 0.000 2.506 720 F HA 0.066 4.593 4.527 -0.000 0.000 0.351 720 F C 0.682 176.245 175.800 -0.395 0.000 1.136 720 F CA -0.883 56.890 58.000 -0.378 0.000 1.298 720 F CB 0.359 38.947 39.000 -0.687 0.000 1.145 720 F HN 0.225 nan 8.300 nan 0.000 0.593 721 L N 3.717 124.816 121.223 -0.207 0.000 2.264 721 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 721 L C -1.192 175.486 176.870 -0.320 0.000 1.044 721 L CA -0.030 54.711 54.840 -0.165 0.000 0.807 721 L CB 0.065 42.072 42.059 -0.086 0.000 1.192 721 L HN 0.294 nan 8.230 nan 0.000 0.425 722 F N 4.531 124.483 119.950 0.003 0.000 2.427 722 F HA 0.749 5.275 4.527 -0.001 0.000 0.346 722 F C 1.015 176.711 175.800 -0.174 0.000 1.120 722 F CA 0.099 58.064 58.000 -0.058 0.000 1.033 722 F CB 1.293 40.268 39.000 -0.042 0.000 1.126 722 F HN 0.765 nan 8.300 nan 0.000 0.462 723 G N 2.134 110.814 108.800 -0.200 0.000 2.796 723 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.571 723 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.571 723 G C -0.807 174.089 174.900 -0.006 0.000 1.370 723 G CA -1.288 43.592 45.100 -0.367 0.000 0.856 723 G HN 0.732 nan 8.290 nan 0.000 0.538 724 L N 1.410 122.673 121.223 0.066 0.000 2.543 724 L HA 0.284 4.624 4.340 -0.000 0.000 0.285 724 L C -1.135 175.795 176.870 0.100 0.000 1.236 724 L CA -1.009 53.907 54.840 0.125 0.000 0.871 724 L CB -0.261 41.865 42.059 0.111 0.000 1.121 724 L HN 0.529 nan 8.230 nan 0.000 0.501 725 P HA 0.147 nan 4.420 nan 0.000 0.274 725 P C -0.900 176.443 177.300 0.072 0.000 1.246 725 P CA -0.627 62.545 63.100 0.120 0.000 0.795 725 P CB 0.502 32.308 31.700 0.177 0.000 1.006 726 K N 0.502 120.936 120.400 0.057 0.000 2.412 726 K HA 0.307 4.627 4.320 -0.000 0.000 0.281 726 K C 0.882 177.495 176.600 0.021 0.000 1.027 726 K CA 0.695 57.002 56.287 0.033 0.000 0.989 726 K CB -0.355 32.162 32.500 0.028 0.000 0.935 726 K HN 0.851 nan 8.250 nan 0.000 0.475 727 G N 1.862 110.668 108.800 0.011 0.000 2.314 727 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.292 727 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.292 727 G C -0.079 174.819 174.900 -0.004 0.000 1.059 727 G CA 0.227 45.325 45.100 -0.002 0.000 0.982 727 G HN 0.734 nan 8.290 nan 0.000 0.505 728 A N 0.219 123.044 122.820 0.008 0.000 2.289 728 A HA 0.680 5.000 4.320 -0.000 0.000 0.298 728 A C 0.674 178.254 177.584 -0.006 0.000 1.208 728 A CA -0.396 51.652 52.037 0.018 0.000 0.845 728 A CB 0.550 19.582 19.000 0.053 0.000 1.125 728 A HN 0.476 nan 8.150 nan 0.000 0.517 729 K N 2.235 122.643 120.400 0.013 0.000 2.368 729 K HA 0.438 4.758 4.320 -0.000 0.000 0.282 729 K C -0.591 175.949 176.600 -0.100 0.000 1.035 729 K CA 0.390 56.672 56.287 -0.008 0.000 0.973 729 K CB 0.427 32.959 32.500 0.054 0.000 0.957 729 K HN 0.625 nan 8.250 nan 0.000 0.474 730 L N 0.830 121.924 121.223 -0.215 0.000 2.235 730 L HA 0.470 4.810 4.340 -0.000 0.000 0.260 730 L C 1.326 178.010 176.870 -0.311 0.000 1.025 730 L CA -0.852 53.693 54.840 -0.493 0.000 0.836 730 L CB 1.109 42.880 42.059 -0.480 0.000 1.395 730 L HN 0.895 nan 8.230 nan 0.000 0.443 731 G N 0.746 109.349 108.800 -0.328 0.000 2.698 731 G HA2 -0.423 3.536 3.960 -0.000 0.000 0.337 731 G HA3 -0.423 3.536 3.960 -0.000 0.000 0.337 731 G C 0.915 175.744 174.900 -0.119 0.000 1.286 731 G CA 1.120 46.116 45.100 -0.174 0.000 1.000 731 G HN 1.002 nan 8.290 nan 0.000 0.547 732 A N -0.758 121.996 122.820 -0.111 0.000 2.168 732 A HA 0.410 4.730 4.320 -0.000 0.000 0.215 732 A C 2.212 179.749 177.584 -0.079 0.000 1.152 732 A CA 2.180 54.158 52.037 -0.098 0.000 0.716 732 A CB -0.185 18.761 19.000 -0.090 0.000 0.794 732 A HN 1.208 nan 8.150 nan 0.000 0.465 733 S N 0.648 116.307 115.700 -0.069 0.000 2.622 733 S HA 0.182 4.652 4.470 -0.000 0.000 0.236 733 S C 0.384 174.986 174.600 0.004 0.000 0.956 733 S CA -0.302 57.872 58.200 -0.043 0.000 0.971 733 S CB 0.041 63.211 63.200 -0.049 0.000 0.782 733 S HN 0.399 nan 8.310 nan 0.000 0.468 734 S N 2.573 118.295 115.700 0.036 0.000 2.564 734 S HA 0.300 4.769 4.470 -0.000 0.000 0.278 734 S C 0.354 175.078 174.600 0.206 0.000 1.333 734 S CA -0.640 57.681 58.200 0.202 0.000 1.048 734 S CB 0.278 63.604 63.200 0.209 0.000 0.900 734 S HN 0.220 nan 8.310 nan 0.000 0.505 735 L N 2.284 123.628 121.223 0.202 0.000 2.586 735 L HA -0.032 4.308 4.340 -0.000 0.000 0.307 735 L C 1.089 178.081 176.870 0.204 0.000 1.274 735 L CA 0.524 55.385 54.840 0.034 0.000 0.857 735 L CB -0.689 41.183 42.059 -0.311 0.000 1.099 735 L HN 0.852 nan 8.230 nan 0.000 0.525 736 A N 1.966 124.854 122.820 0.115 0.000 2.507 736 A HA 0.427 4.747 4.320 -0.000 0.000 0.235 736 A C 1.365 179.030 177.584 0.136 0.000 1.070 736 A CA 0.502 52.602 52.037 0.105 0.000 0.768 736 A CB -0.413 18.616 19.000 0.050 0.000 1.011 736 A HN 1.529 nan 8.150 nan 0.000 0.502 737 G N 0.015 108.840 108.800 0.041 0.000 2.317 737 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.227 737 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.227 737 G C 0.111 174.851 174.900 -0.267 0.000 1.042 737 G CA 0.269 45.291 45.100 -0.131 0.000 0.623 737 G HN 0.790 nan 8.290 nan 0.000 0.509 738 F N 4.415 124.371 119.950 0.010 0.000 2.427 738 F HA 0.506 5.033 4.527 -0.000 0.000 0.352 738 F C -0.969 174.713 175.800 -0.197 0.000 1.100 738 F CA -1.773 56.215 58.000 -0.020 0.000 1.191 738 F CB 0.884 39.963 39.000 0.132 0.000 1.128 738 F HN -0.039 nan 8.300 nan 0.000 0.533 739 P HA 0.231 nan 4.420 nan 0.000 0.276 739 P C -0.881 176.205 177.300 -0.357 0.000 1.252 739 P CA -0.387 62.385 63.100 -0.547 0.000 0.802 739 P CB 1.767 32.843 31.700 -1.040 0.000 1.035 740 S N -0.121 115.302 115.700 -0.461 0.000 2.543 740 S HA 0.329 4.799 4.470 -0.000 0.000 0.274 740 S C 0.368 174.625 174.600 -0.572 0.000 1.149 740 S CA -0.650 57.323 58.200 -0.379 0.000 0.866 740 S CB 0.506 63.565 63.200 -0.235 0.000 1.111 740 S HN 0.263 nan 8.310 nan 0.000 0.457 741 L N 3.556 124.498 121.223 -0.468 0.000 2.529 741 L HA 0.313 4.653 4.340 -0.000 0.000 0.223 741 L C 2.023 178.827 176.870 -0.110 0.000 1.113 741 L CA 0.201 54.784 54.840 -0.429 0.000 0.861 741 L CB -0.119 41.748 42.059 -0.321 0.000 1.012 741 L HN 0.604 nan 8.230 nan 0.000 0.461 742 K N 0.077 120.385 120.400 -0.152 0.000 2.439 742 K HA -0.064 4.255 4.320 -0.000 0.000 0.197 742 K C 1.990 178.579 176.600 -0.019 0.000 1.041 742 K CA 1.479 57.721 56.287 -0.075 0.000 0.970 742 K CB -0.049 32.384 32.500 -0.111 0.000 0.773 742 K HN 0.425 nan 8.250 nan 0.000 0.479 743 T N -0.981 113.563 114.554 -0.018 0.000 2.985 743 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 743 T C 0.861 175.665 174.700 0.173 0.000 1.076 743 T CA 0.321 62.441 62.100 0.035 0.000 1.135 743 T CB 0.080 68.919 68.868 -0.049 0.000 0.890 743 T HN -0.154 nan 8.240 nan 0.000 0.480 744 L N 2.189 123.644 121.223 0.387 0.000 2.400 744 L HA 0.606 4.945 4.340 -0.000 0.000 0.264 744 L C -2.305 174.614 176.870 0.081 0.000 1.061 744 L CA -2.539 52.423 54.840 0.204 0.000 0.799 744 L CB 0.990 43.084 42.059 0.058 0.000 1.240 744 L HN 0.044 nan 8.230 nan 0.000 0.461 745 P HA 0.569 nan 4.420 nan 0.000 0.300 745 P C -1.510 175.761 177.300 -0.048 0.000 1.326 745 P CA -0.440 62.643 63.100 -0.027 0.000 0.844 745 P CB 1.733 33.405 31.700 -0.047 0.000 0.992 746 L N -0.146 121.063 121.223 -0.024 0.000 2.801 746 L HA 0.857 5.197 4.340 -0.000 0.000 0.264 746 L C -1.161 175.709 176.870 0.001 0.000 1.086 746 L CA -0.552 54.275 54.840 -0.023 0.000 0.920 746 L CB 1.305 43.348 42.059 -0.026 0.000 1.529 746 L HN 0.155 nan 8.230 nan 0.000 0.399 747 T N 0.331 114.906 114.554 0.035 0.000 2.971 747 T HA 0.866 5.216 4.350 -0.000 0.000 0.304 747 T C -1.023 173.755 174.700 0.130 0.000 1.038 747 T CA 0.007 62.137 62.100 0.051 0.000 1.007 747 T CB 1.671 70.545 68.868 0.010 0.000 1.055 747 T HN 1.019 nan 8.240 nan 0.000 0.451 748 A N 2.725 125.599 122.820 0.090 0.000 2.355 748 A HA 0.909 5.229 4.320 -0.000 0.000 0.324 748 A C -0.673 176.978 177.584 0.112 0.000 1.117 748 A CA -0.553 51.545 52.037 0.101 0.000 0.785 748 A CB 1.374 20.396 19.000 0.037 0.000 1.254 748 A HN 0.713 nan 8.150 nan 0.000 0.453 749 E N 1.713 121.987 120.200 0.124 0.000 2.397 749 E HA 0.300 4.649 4.350 -0.000 0.000 0.293 749 E C -1.639 175.003 176.600 0.071 0.000 0.930 749 E CA -0.433 56.032 56.400 0.107 0.000 0.793 749 E CB 1.351 31.158 29.700 0.179 0.000 1.259 749 E HN 0.684 nan 8.360 nan 0.000 0.406 750 L N 2.493 123.737 121.223 0.035 0.000 2.453 750 L HA 0.465 4.805 4.340 -0.000 0.000 0.272 750 L C 0.189 177.037 176.870 -0.036 0.000 1.182 750 L CA 0.499 55.328 54.840 -0.018 0.000 0.858 750 L CB 0.679 42.713 42.059 -0.041 0.000 1.120 750 L HN 0.625 nan 8.230 nan 0.000 0.474 751 A N 2.839 125.602 122.820 -0.094 0.000 2.612 751 A HA 0.532 4.851 4.320 -0.000 0.000 0.293 751 A C -1.611 175.877 177.584 -0.159 0.000 1.075 751 A CA -0.609 51.385 52.037 -0.071 0.000 0.680 751 A CB 0.652 19.673 19.000 0.035 0.000 1.279 751 A HN 0.472 nan 8.150 nan 0.000 0.411 752 Y N 1.508 121.822 120.300 0.022 0.000 2.594 752 Y HA 0.204 4.754 4.550 0.000 0.000 0.344 752 Y C 1.228 177.137 175.900 0.014 0.000 1.185 752 Y CA 0.428 58.539 58.100 0.018 0.000 1.565 752 Y CB 0.280 38.758 38.460 0.029 0.000 1.415 752 Y HN 0.773 nan 8.280 nan 0.000 0.488 753 N N 0.494 119.243 118.700 0.081 0.000 2.279 753 N HA -0.010 4.730 4.740 -0.000 0.000 0.226 753 N C -0.125 175.414 175.510 0.048 0.000 1.126 753 N CA 0.079 53.158 53.050 0.048 0.000 0.846 753 N CB 0.135 38.620 38.487 -0.004 0.000 1.050 753 N HN 0.303 nan 8.380 nan 0.000 0.502 754 S N 0.048 115.796 115.700 0.080 0.000 3.232 754 S HA -0.197 4.273 4.470 -0.000 0.000 0.301 754 S C -0.085 174.537 174.600 0.036 0.000 0.795 754 S CA 0.487 58.729 58.200 0.071 0.000 1.314 754 S CB -1.670 61.574 63.200 0.074 0.000 0.834 754 S HN 0.396 nan 8.310 nan 0.000 0.436 755 S N 0.509 116.209 115.700 -0.001 0.000 2.576 755 S HA 0.332 4.802 4.470 -0.000 0.000 0.276 755 S C 0.510 175.088 174.600 -0.038 0.000 1.339 755 S CA -0.731 57.446 58.200 -0.038 0.000 1.039 755 S CB 1.258 64.401 63.200 -0.095 0.000 0.902 755 S HN 0.343 nan 8.310 nan 0.000 0.516 756 V N 3.662 123.543 119.914 -0.055 0.000 2.266 756 V HA 0.140 4.260 4.120 -0.000 0.000 0.266 756 V C 0.567 176.574 176.094 -0.146 0.000 1.036 756 V CA -0.362 61.908 62.300 -0.049 0.000 0.828 756 V CB 0.720 32.539 31.823 -0.006 0.000 1.081 756 V HN 0.820 nan 8.190 nan 0.000 0.449 757 V N 2.095 121.848 119.914 -0.269 0.000 3.052 757 V HA 0.078 4.198 4.120 -0.000 0.000 0.254 757 V C 1.137 176.803 176.094 -0.714 0.000 1.100 757 V CA 1.851 63.819 62.300 -0.554 0.000 1.112 757 V CB -0.429 30.892 31.823 -0.837 0.000 0.738 757 V HN 0.697 nan 8.190 nan 0.000 0.469 758 F N -1.093 118.768 119.950 -0.148 0.000 1.996 758 F HA 0.295 4.822 4.527 -0.001 0.000 0.222 758 F C 1.832 177.545 175.800 -0.146 0.000 1.203 758 F CA 0.255 58.171 58.000 -0.139 0.000 1.296 758 F CB 0.235 39.142 39.000 -0.154 0.000 1.782 758 F HN -0.196 nan 8.300 nan 0.000 0.334 759 N N -2.070 116.649 118.700 0.033 0.000 2.324 759 N HA 0.252 4.991 4.740 -0.000 0.000 0.235 759 N C -0.850 174.410 175.510 -0.416 0.000 1.162 759 N CA 0.076 52.940 53.050 -0.310 0.000 0.834 759 N CB 1.468 39.594 38.487 -0.602 0.000 1.354 759 N HN -0.017 nan 8.380 nan 0.000 0.471 760 F N 1.387 121.415 119.950 0.129 0.000 2.603 760 F HA 0.512 5.040 4.527 0.000 0.000 0.317 760 F C -2.248 173.608 175.800 0.094 0.000 1.066 760 F CA -2.365 55.694 58.000 0.099 0.000 0.941 760 F CB 1.765 40.825 39.000 0.099 0.000 1.291 760 F HN -0.226 nan 8.300 nan 0.000 0.472 761 P HA 0.016 nan 4.420 nan 0.000 0.271 761 P C -0.354 177.047 177.300 0.168 0.000 1.216 761 P CA -0.055 63.142 63.100 0.162 0.000 0.771 761 P CB 1.299 33.074 31.700 0.124 0.000 0.864 762 S N 2.352 118.124 115.700 0.120 0.000 2.576 762 S HA 0.035 4.505 4.470 -0.000 0.000 0.272 762 S C 0.807 175.491 174.600 0.141 0.000 1.352 762 S CA 0.064 58.338 58.200 0.124 0.000 1.021 762 S CB 0.079 63.301 63.200 0.038 0.000 0.887 762 S HN 0.355 nan 8.310 nan 0.000 0.542 763 K N 1.278 121.780 120.400 0.169 0.000 2.387 763 K HA 0.210 4.530 4.320 -0.000 0.000 0.203 763 K C -0.076 176.700 176.600 0.294 0.000 1.030 763 K CA -0.052 56.359 56.287 0.206 0.000 1.099 763 K CB 0.525 33.136 32.500 0.184 0.000 0.863 763 K HN 0.525 nan 8.250 nan 0.000 0.529 764 Q N 0.536 120.449 119.800 0.188 0.000 2.359 764 Q HA 0.239 4.579 4.340 -0.000 0.000 0.275 764 Q C -0.767 175.118 176.000 -0.191 0.000 1.082 764 Q CA -0.651 55.197 55.803 0.075 0.000 0.849 764 Q CB 1.515 30.288 28.738 0.058 0.000 1.377 764 Q HN 0.030 nan 8.270 nan 0.000 0.452 765 Q N 0.286 119.779 119.800 -0.512 0.000 2.369 765 Q HA 0.175 4.515 4.340 -0.000 0.000 0.295 765 Q C -0.641 175.157 176.000 -0.336 0.000 1.075 765 Q CA 0.498 55.989 55.803 -0.520 0.000 0.941 765 Q CB 0.500 28.923 28.738 -0.525 0.000 1.260 765 Q HN 0.421 nan 8.270 nan 0.000 0.417 766 S N 1.223 116.776 115.700 -0.245 0.000 2.607 766 S HA 0.404 4.873 4.470 -0.000 0.000 0.303 766 S C -0.631 173.913 174.600 -0.093 0.000 1.086 766 S CA -0.830 57.241 58.200 -0.216 0.000 0.995 766 S CB 1.175 64.276 63.200 -0.166 0.000 1.084 766 S HN 0.547 nan 8.310 nan 0.000 0.507 767 M N 3.408 123.019 119.600 0.018 0.000 2.685 767 M HA 0.237 4.717 4.480 -0.000 0.000 0.316 767 M C -1.114 175.269 176.300 0.138 0.000 1.523 767 M CA -0.250 55.153 55.300 0.172 0.000 1.472 767 M CB -1.027 31.849 32.600 0.461 0.000 1.525 767 M HN 0.354 nan 8.290 nan 0.000 0.471 768 V N 6.584 126.523 119.914 0.041 0.000 2.572 768 V HA 0.134 4.253 4.120 -0.000 0.000 0.291 768 V C 0.309 176.363 176.094 -0.067 0.000 1.039 768 V CA -0.251 62.024 62.300 -0.042 0.000 1.055 768 V CB 0.601 32.352 31.823 -0.119 0.000 0.969 768 V HN 0.587 nan 8.190 nan 0.000 0.482 769 L N 5.914 127.087 121.223 -0.082 0.000 2.277 769 L HA 0.430 4.770 4.340 -0.000 0.000 0.284 769 L C -0.042 176.727 176.870 -0.168 0.000 1.028 769 L CA -0.464 54.345 54.840 -0.052 0.000 0.835 769 L CB 0.472 42.566 42.059 0.058 0.000 1.215 769 L HN 0.653 nan 8.230 nan 0.000 0.425 770 H N 5.126 124.179 119.070 -0.029 0.000 2.846 770 H HA 0.283 4.838 4.556 -0.001 0.000 0.278 770 H C 0.015 175.279 175.328 -0.105 0.000 1.117 770 H CA -0.479 55.534 56.048 -0.058 0.000 1.406 770 H CB 1.294 31.033 29.762 -0.038 0.000 1.445 770 H HN 0.357 nan 8.280 nan 0.000 0.469 771 I N 3.383 123.907 120.570 -0.076 0.000 2.395 771 I HA 0.060 4.230 4.170 -0.000 0.000 0.289 771 I C 0.628 176.675 176.117 -0.117 0.000 1.023 771 I CA -0.284 60.908 61.300 -0.179 0.000 1.350 771 I CB 0.957 38.746 38.000 -0.350 0.000 1.409 771 I HN 0.435 nan 8.210 nan 0.000 0.507 772 Q N 4.149 123.879 119.800 -0.117 0.000 2.303 772 Q HA 0.210 4.549 4.340 -0.000 0.000 0.257 772 Q C -0.433 175.492 176.000 -0.125 0.000 0.941 772 Q CA -0.699 55.051 55.803 -0.089 0.000 0.931 772 Q CB 1.656 30.355 28.738 -0.065 0.000 1.215 772 Q HN 0.421 nan 8.270 nan 0.000 0.437 773 D N 1.836 122.175 120.400 -0.102 0.000 2.515 773 D HA -0.027 4.613 4.640 -0.000 0.000 0.232 773 D C -0.895 175.240 176.300 -0.276 0.000 1.157 773 D CA 0.506 54.409 54.000 -0.162 0.000 0.871 773 D CB 0.769 41.576 40.800 0.013 0.000 1.200 773 D HN 0.226 nan 8.370 nan 0.000 0.466 774 L N 4.133 125.031 121.223 -0.542 0.000 2.277 774 L HA 0.339 4.679 4.340 -0.000 0.000 0.284 774 L C -0.690 175.675 176.870 -0.842 0.000 1.028 774 L CA -0.243 54.303 54.840 -0.490 0.000 0.835 774 L CB 0.351 42.213 42.059 -0.328 0.000 1.215 774 L HN 0.324 nan 8.230 nan 0.000 0.425 782 L N 2.872 124.100 121.223 0.008 0.000 2.263 782 L HA 0.070 4.410 4.340 -0.000 0.000 0.216 782 L C 1.981 178.750 176.870 -0.169 0.000 1.111 782 L CA 2.591 57.391 54.840 -0.068 0.000 0.773 782 L CB -0.719 41.298 42.059 -0.071 0.000 0.906 782 L HN 0.485 nan 8.230 nan 0.000 0.439 783 S N -1.298 114.403 115.700 0.003 0.000 2.377 783 S HA -0.103 4.366 4.470 -0.000 0.000 0.223 783 S C 1.562 176.182 174.600 0.034 0.000 1.030 783 S CA 0.989 59.255 58.200 0.109 0.000 0.970 783 S CB -0.248 63.060 63.200 0.182 0.000 0.830 783 S HN 0.596 nan 8.310 nan 0.000 0.473 784 D N 1.282 121.683 120.400 0.002 0.000 2.317 784 D HA 0.041 4.680 4.640 -0.000 0.000 0.211 784 D C 1.924 178.180 176.300 -0.072 0.000 0.966 784 D CA 0.164 54.150 54.000 -0.024 0.000 0.876 784 D CB -0.083 40.705 40.800 -0.020 0.000 0.927 784 D HN 0.333 nan 8.370 nan 0.000 0.519 785 L N 1.087 122.265 121.223 -0.076 0.000 1.994 785 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 785 L C 2.510 179.315 176.870 -0.107 0.000 1.071 785 L CA 1.245 56.026 54.840 -0.097 0.000 0.745 785 L CB -0.773 41.261 42.059 -0.042 0.000 0.892 785 L HN -0.024 nan 8.230 nan 0.000 0.431 786 A N -0.258 122.498 122.820 -0.107 0.000 1.940 786 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 786 A C 2.381 179.960 177.584 -0.009 0.000 1.176 786 A CA 2.061 54.067 52.037 -0.051 0.000 0.631 786 A CB -0.452 18.522 19.000 -0.043 0.000 0.814 786 A HN 0.381 nan 8.150 nan 0.000 0.446 787 K N -0.745 119.641 120.400 -0.024 0.000 2.155 787 K HA -0.088 4.231 4.320 -0.000 0.000 0.203 787 K C 2.268 178.829 176.600 -0.065 0.000 1.052 787 K CA 1.195 57.471 56.287 -0.020 0.000 0.948 787 K CB -0.112 32.382 32.500 -0.009 0.000 0.728 787 K HN 0.439 nan 8.250 nan 0.000 0.448 788 R N -0.737 119.669 120.500 -0.157 0.000 2.075 788 R HA -0.069 4.270 4.340 -0.000 0.000 0.226 788 R C 1.442 177.592 176.300 -0.250 0.000 1.114 788 R CA 1.382 57.316 56.100 -0.277 0.000 0.972 788 R CB 0.088 30.078 30.300 -0.518 0.000 0.869 788 R HN 0.301 nan 8.270 nan 0.000 0.437 789 H N -1.384 117.687 119.070 0.003 0.000 2.705 789 H HA 0.122 4.678 4.556 -0.001 0.000 0.269 789 H C 0.023 175.348 175.328 -0.004 0.000 0.998 789 H CA -0.236 55.813 56.048 0.002 0.000 1.193 789 H CB 0.097 29.860 29.762 0.002 0.000 1.485 789 H HN 0.107 nan 8.280 nan 0.000 0.521 790 M N 0.852 120.505 119.600 0.089 0.000 2.248 790 M HA 0.127 4.607 4.480 -0.000 0.000 0.343 790 M C 1.452 177.769 176.300 0.029 0.000 1.243 790 M CA 0.638 55.970 55.300 0.054 0.000 1.025 790 M CB -0.018 32.607 32.600 0.041 0.000 1.759 790 M HN 0.546 nan 8.290 nan 0.000 0.452 791 G N 3.422 112.220 108.800 -0.004 0.000 2.243 791 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.276 791 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.276 791 G C 0.757 175.637 174.900 -0.034 0.000 0.997 791 G CA 1.135 46.206 45.100 -0.048 0.000 0.693 791 G HN 0.681 nan 8.290 nan 0.000 0.529 792 K N -0.948 119.461 120.400 0.016 0.000 2.918 792 K HA 0.531 4.851 4.320 -0.000 0.000 0.318 792 K C 0.303 176.915 176.600 0.019 0.000 0.995 792 K CA -0.607 55.705 56.287 0.040 0.000 1.187 792 K CB 0.322 32.888 32.500 0.109 0.000 1.413 792 K HN 0.033 nan 8.250 nan 0.000 0.556 793 I N 2.595 123.174 120.570 0.015 0.000 2.405 793 I HA 0.137 4.306 4.170 -0.000 0.000 0.280 793 I C -0.114 175.924 176.117 -0.132 0.000 1.027 793 I CA -0.472 60.799 61.300 -0.048 0.000 1.161 793 I CB 0.804 38.775 38.000 -0.048 0.000 1.300 793 I HN 0.269 nan 8.210 nan 0.000 0.463 794 V N 4.999 124.808 119.914 -0.175 0.000 3.096 794 V HA 0.599 4.718 4.120 -0.000 0.000 0.319 794 V C -1.227 174.700 176.094 -0.278 0.000 1.103 794 V CA -0.734 61.452 62.300 -0.191 0.000 1.016 794 V CB 2.085 33.812 31.823 -0.161 0.000 1.090 794 V HN 0.436 nan 8.190 nan 0.000 0.449 795 Y N 1.337 121.575 120.300 -0.104 0.000 2.356 795 Y HA 0.679 5.229 4.550 -0.001 0.000 0.334 795 Y C 0.850 176.671 175.900 -0.131 0.000 0.958 795 Y CA -0.124 57.924 58.100 -0.086 0.000 1.196 795 Y CB 1.719 40.144 38.460 -0.057 0.000 1.137 795 Y HN 0.953 nan 8.280 nan 0.000 0.485 796 S N 1.719 117.358 115.700 -0.103 0.000 2.677 796 S HA 0.553 5.023 4.470 -0.000 0.000 0.290 796 S C 0.156 174.552 174.600 -0.339 0.000 1.124 796 S CA -1.231 56.717 58.200 -0.420 0.000 1.017 796 S CB 0.898 63.661 63.200 -0.728 0.000 1.215 796 S HN 0.716 nan 8.310 nan 0.000 0.524 797 R N -0.533 119.544 120.500 -0.705 0.000 3.416 797 R HA -0.193 4.147 4.340 -0.000 0.000 0.263 797 R C 0.418 176.857 176.300 0.233 0.000 1.053 797 R CA 0.523 56.637 56.100 0.023 0.000 0.705 797 R CB -1.721 28.676 30.300 0.163 0.000 1.124 797 R HN 0.764 nan 8.270 nan 0.000 0.444 798 W N 0.452 121.761 121.300 0.015 0.000 1.955 798 W HA -0.391 4.269 4.660 -0.000 0.000 0.299 798 W C -1.079 175.473 176.519 0.055 0.000 1.132 798 W CA 2.727 60.097 57.345 0.042 0.000 1.031 798 W CB -2.229 27.282 29.460 0.084 0.000 0.910 798 W HN 0.291 nan 8.180 nan 0.000 0.549 799 P HA -0.300 nan 4.420 nan 0.000 0.226 799 P C 0.637 177.584 177.300 -0.588 0.000 0.981 799 P CA 3.076 65.776 63.100 -0.667 0.000 1.055 799 P CB -0.689 30.961 31.700 -0.084 0.000 0.721 800 F N -1.199 118.660 119.950 -0.151 0.000 2.560 800 F HA 0.251 4.778 4.527 -0.001 0.000 0.338 800 F C 0.841 176.608 175.800 -0.055 0.000 1.201 800 F CA -0.815 57.112 58.000 -0.122 0.000 1.291 800 F CB -1.046 37.906 39.000 -0.080 0.000 1.627 800 F HN -0.160 nan 8.300 nan 0.000 0.588 801 L N 2.553 123.791 121.223 0.024 0.000 2.714 801 L HA -0.090 4.250 4.340 -0.000 0.000 0.301 801 L C 0.568 177.571 176.870 0.222 0.000 1.248 801 L CA 0.770 55.677 54.840 0.111 0.000 0.885 801 L CB 0.118 42.182 42.059 0.010 0.000 1.143 801 L HN 0.598 nan 8.230 nan 0.000 0.500 802 R N 2.404 123.049 120.500 0.242 0.000 2.668 802 R HA 0.358 4.698 4.340 -0.000 0.000 0.272 802 R C -1.219 175.027 176.300 -0.090 0.000 1.019 802 R CA -0.865 55.315 56.100 0.133 0.000 0.894 802 R CB 1.438 31.782 30.300 0.075 0.000 1.228 802 R HN 0.534 nan 8.270 nan 0.000 0.460 803 E N 2.258 122.319 120.200 -0.231 0.000 2.265 803 E HA 0.184 4.533 4.350 -0.000 0.000 0.272 803 E C -0.786 175.644 176.600 -0.282 0.000 1.067 803 E CA -0.050 56.064 56.400 -0.477 0.000 0.900 803 E CB 0.962 30.410 29.700 -0.420 0.000 1.017 803 E HN 0.630 nan 8.360 nan 0.000 0.431 804 S N 2.657 118.229 115.700 -0.215 0.000 2.546 804 S HA 0.281 4.750 4.470 -0.000 0.000 0.272 804 S C -0.673 173.941 174.600 0.023 0.000 1.140 804 S CA -1.236 56.952 58.200 -0.020 0.000 0.920 804 S CB 1.758 64.947 63.200 -0.019 0.000 1.083 804 S HN 0.474 nan 8.310 nan 0.000 0.476 805 K N 2.402 122.877 120.400 0.124 0.000 2.276 805 K HA 0.345 4.665 4.320 -0.000 0.000 0.283 805 K C -0.713 175.846 176.600 -0.069 0.000 1.044 805 K CA -0.740 55.522 56.287 -0.043 0.000 0.944 805 K CB 0.570 32.847 32.500 -0.373 0.000 1.012 805 K HN 0.676 nan 8.250 nan 0.000 0.472 806 L N 6.470 127.666 121.223 -0.045 0.000 2.369 806 L HA 0.097 4.436 4.340 -0.000 0.000 0.279 806 L C 0.433 177.288 176.870 -0.026 0.000 1.108 806 L CA 0.316 55.147 54.840 -0.015 0.000 0.852 806 L CB 0.427 42.501 42.059 0.025 0.000 1.169 806 L HN 0.853 nan 8.230 nan 0.000 0.452 807 L N 2.901 124.109 121.223 -0.025 0.000 2.185 807 L HA 0.236 4.576 4.340 -0.000 0.000 0.198 807 L C 0.878 177.760 176.870 0.021 0.000 1.079 807 L CA 0.642 55.467 54.840 -0.026 0.000 0.780 807 L CB -0.459 41.571 42.059 -0.050 0.000 0.955 807 L HN 0.788 nan 8.230 nan 0.000 0.462 808 S N -1.430 114.301 115.700 0.052 0.000 2.720 808 S HA 0.597 5.066 4.470 -0.000 0.000 0.287 808 S C -0.745 173.933 174.600 0.131 0.000 1.168 808 S CA -0.711 57.551 58.200 0.103 0.000 0.832 808 S CB 2.187 65.456 63.200 0.116 0.000 1.166 808 S HN 0.060 nan 8.310 nan 0.000 0.493 809 L N 1.704 123.036 121.223 0.181 0.000 2.529 809 L HA 0.454 4.793 4.340 -0.000 0.000 0.246 809 L C -0.711 176.299 176.870 0.233 0.000 1.394 809 L CA -0.566 54.367 54.840 0.156 0.000 0.906 809 L CB 0.377 42.417 42.059 -0.032 0.000 1.170 809 L HN 0.626 nan 8.230 nan 0.000 0.501 810 I N -0.490 120.224 120.570 0.240 0.000 2.872 810 I HA 0.087 4.257 4.170 -0.000 0.000 0.291 810 I C 0.441 176.589 176.117 0.052 0.000 1.216 810 I CA 0.646 62.038 61.300 0.154 0.000 1.424 810 I CB 0.254 38.402 38.000 0.246 0.000 1.351 810 I HN 0.342 nan 8.210 nan 0.000 0.592 811 T N 2.392 116.745 114.554 -0.335 0.000 2.864 811 T HA 0.126 4.476 4.350 -0.000 0.000 0.299 811 T C 0.589 174.649 174.700 -1.067 0.000 1.166 811 T CA -0.426 61.374 62.100 -0.499 0.000 1.007 811 T CB 2.193 71.033 68.868 -0.047 0.000 1.219 811 T HN 0.726 nan 8.240 nan 0.000 0.506 812 E N 1.910 121.631 120.200 -0.798 0.000 2.068 812 E HA -0.229 4.121 4.350 -0.000 0.000 0.207 812 E C 1.477 177.884 176.600 -0.322 0.000 1.032 812 E CA 2.607 58.741 56.400 -0.442 0.000 0.839 812 E CB 0.094 29.760 29.700 -0.057 0.000 0.758 812 E HN 0.783 nan 8.360 nan 0.000 0.457 813 E N -1.646 118.424 120.200 -0.217 0.000 2.538 813 E HA 0.151 4.501 4.350 -0.000 0.000 0.207 813 E C -0.658 175.845 176.600 -0.162 0.000 1.002 813 E CA -0.010 56.297 56.400 -0.155 0.000 0.952 813 E CB 0.654 30.298 29.700 -0.094 0.000 1.031 813 E HN 0.017 nan 8.360 nan 0.000 0.476 814 T N 0.419 114.864 114.554 -0.182 0.000 3.097 814 T HA 0.317 4.666 4.350 -0.000 0.000 0.332 814 T C -1.077 173.517 174.700 -0.177 0.000 1.269 814 T CA -0.604 61.370 62.100 -0.210 0.000 1.076 814 T CB 2.130 70.853 68.868 -0.241 0.000 1.209 814 T HN -0.030 nan 8.240 nan 0.000 0.474 815 V N 3.326 123.104 119.914 -0.227 0.000 2.417 815 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 815 V C -1.300 174.711 176.094 -0.139 0.000 1.024 815 V CA -0.853 61.401 62.300 -0.077 0.000 0.861 815 V CB 0.923 32.705 31.823 -0.068 0.000 0.985 815 V HN 0.834 nan 8.190 nan 0.000 0.436 816 Y N 2.764 123.059 120.300 -0.009 0.000 2.417 816 Y HA 0.546 5.096 4.550 -0.001 0.000 0.336 816 Y C 0.501 176.406 175.900 0.008 0.000 0.961 816 Y CA -0.899 57.201 58.100 -0.000 0.000 1.215 816 Y CB 0.668 39.134 38.460 0.010 0.000 1.120 816 Y HN 0.603 nan 8.280 nan 0.000 0.499 817 E N 1.257 121.520 120.200 0.106 0.000 2.222 817 E HA 0.670 5.019 4.350 -0.000 0.000 0.267 817 E C -0.208 176.424 176.600 0.053 0.000 0.963 817 E CA -1.069 55.373 56.400 0.070 0.000 0.837 817 E CB 1.927 31.648 29.700 0.035 0.000 1.183 817 E HN 0.797 nan 8.360 nan 0.000 0.403 818 G N 0.390 109.210 108.800 0.034 0.000 2.368 818 G HA2 0.494 4.454 3.960 -0.000 0.000 0.320 818 G HA3 0.494 4.454 3.960 -0.000 0.000 0.320 818 G C -0.749 174.150 174.900 -0.001 0.000 1.158 818 G CA -0.523 44.586 45.100 0.015 0.000 0.912 818 G HN 0.276 nan 8.290 nan 0.000 0.456 819 V N 0.464 120.377 119.914 -0.002 0.000 2.483 819 V HA 0.550 4.669 4.120 -0.000 0.000 0.297 819 V C 0.032 176.119 176.094 -0.011 0.000 1.027 819 V CA -1.612 60.684 62.300 -0.008 0.000 0.855 819 V CB 1.320 33.141 31.823 -0.004 0.000 0.995 819 V HN 0.880 nan 8.190 nan 0.000 0.424 820 K N 1.734 122.123 120.400 -0.018 0.000 2.315 820 K HA 0.196 4.515 4.320 -0.000 0.000 0.281 820 K C 0.770 177.364 176.600 -0.011 0.000 1.086 820 K CA 0.579 56.855 56.287 -0.018 0.000 1.042 820 K CB 1.057 33.542 32.500 -0.024 0.000 0.949 820 K HN 0.664 nan 8.250 nan 0.000 0.450 821 S N 2.867 118.562 115.700 -0.008 0.000 2.660 821 S HA 0.089 4.559 4.470 -0.000 0.000 0.223 821 S C 1.099 175.696 174.600 -0.005 0.000 0.963 821 S CA 0.647 58.844 58.200 -0.005 0.000 0.932 821 S CB -0.531 62.667 63.200 -0.004 0.000 0.775 821 S HN 1.053 nan 8.310 nan 0.000 0.531 822 G N 1.058 109.854 108.800 -0.006 0.000 3.626 822 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.241 822 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.241 822 G C 0.837 175.734 174.900 -0.003 0.000 1.824 822 G CA 0.211 45.308 45.100 -0.004 0.000 1.511 822 G HN 0.406 nan 8.290 nan 0.000 0.600 823 K N -0.309 120.090 120.400 -0.002 0.000 1.995 823 K HA 0.374 4.694 4.320 -0.000 0.000 0.207 823 K C 0.641 177.241 176.600 -0.000 0.000 1.041 823 K CA 0.901 57.188 56.287 0.000 0.000 0.942 823 K CB -0.079 32.421 32.500 0.001 0.000 0.731 823 K HN 0.222 nan 8.250 nan 0.000 0.439 824 L N 1.983 123.205 121.223 -0.001 0.000 2.272 824 L HA 0.144 4.484 4.340 -0.000 0.000 0.289 824 L C -0.373 176.496 176.870 -0.002 0.000 1.032 824 L CA -0.264 54.576 54.840 -0.000 0.000 0.810 824 L CB 1.353 43.413 42.059 0.001 0.000 1.205 824 L HN 0.178 nan 8.230 nan 0.000 0.422 825 T N 1.325 115.877 114.554 -0.004 0.000 2.834 825 T HA 0.387 4.737 4.350 -0.000 0.000 0.298 825 T C -0.014 174.687 174.700 0.001 0.000 0.966 825 T CA -0.513 61.584 62.100 -0.006 0.000 1.141 825 T CB 0.840 69.699 68.868 -0.015 0.000 0.905 825 T HN 0.495 nan 8.240 nan 0.000 0.535 826 K N 2.541 122.943 120.400 0.003 0.000 2.258 826 K HA 0.679 4.998 4.320 -0.000 0.000 0.236 826 K C -1.237 175.375 176.600 0.019 0.000 1.008 826 K CA -1.121 55.172 56.287 0.010 0.000 0.869 826 K CB 1.755 34.258 32.500 0.006 0.000 1.171 826 K HN 0.531 nan 8.250 nan 0.000 0.447 827 V N 3.427 123.358 119.914 0.029 0.000 2.370 827 V HA 0.450 4.570 4.120 -0.000 0.000 0.279 827 V C -0.182 175.930 176.094 0.031 0.000 1.029 827 V CA -0.640 61.692 62.300 0.052 0.000 0.870 827 V CB 0.907 32.786 31.823 0.092 0.000 0.984 827 V HN 0.565 nan 8.190 nan 0.000 0.451 828 I N 4.882 125.463 120.570 0.018 0.000 2.354 828 I HA 0.406 4.575 4.170 -0.000 0.000 0.292 828 I C 0.171 176.246 176.117 -0.070 0.000 0.989 828 I CA -0.296 60.991 61.300 -0.022 0.000 1.188 828 I CB 1.371 39.358 38.000 -0.022 0.000 1.342 828 I HN 0.631 nan 8.210 nan 0.000 0.457 829 E N 7.842 127.961 120.200 -0.135 0.000 2.151 829 E HA 0.624 4.973 4.350 -0.000 0.000 0.275 829 E C -0.766 175.698 176.600 -0.227 0.000 0.936 829 E CA -0.888 55.335 56.400 -0.296 0.000 0.777 829 E CB 2.054 31.524 29.700 -0.384 0.000 1.108 829 E HN 0.575 nan 8.360 nan 0.000 0.401 830 R N 0.805 121.160 120.500 -0.243 0.000 2.734 830 R HA 0.420 4.760 4.340 -0.000 0.000 0.271 830 R C -1.279 174.915 176.300 -0.177 0.000 1.021 830 R CA -1.120 54.878 56.100 -0.170 0.000 0.893 830 R CB 0.971 31.201 30.300 -0.117 0.000 1.244 830 R HN 0.097 nan 8.270 nan 0.000 0.464 831 K N 1.393 121.708 120.400 -0.141 0.000 2.355 831 K HA 0.257 4.576 4.320 -0.000 0.000 0.270 831 K C -2.375 174.139 176.600 -0.143 0.000 1.003 831 K CA -1.340 54.866 56.287 -0.136 0.000 0.957 831 K CB 0.101 32.538 32.500 -0.106 0.000 0.939 831 K HN 0.382 nan 8.250 nan 0.000 0.482 832 P HA 0.050 nan 4.420 nan 0.000 0.276 832 P C -0.858 176.318 177.300 -0.207 0.000 1.230 832 P CA -0.398 62.587 63.100 -0.192 0.000 0.776 832 P CB 0.662 32.243 31.700 -0.198 0.000 0.888 833 Q N 1.645 121.267 119.800 -0.298 0.000 2.421 833 Q HA -0.004 4.336 4.340 -0.000 0.000 0.255 833 Q C 0.756 176.550 176.000 -0.344 0.000 1.013 833 Q CA -0.163 55.440 55.803 -0.333 0.000 0.895 833 Q CB 0.344 28.797 28.738 -0.475 0.000 1.271 833 Q HN 0.415 nan 8.270 nan 0.000 0.460 834 D N 1.288 121.590 120.400 -0.164 0.000 2.170 834 D HA -0.213 4.426 4.640 -0.000 0.000 0.193 834 D C 1.531 177.817 176.300 -0.023 0.000 1.004 834 D CA 1.679 55.644 54.000 -0.058 0.000 0.860 834 D CB -0.167 40.651 40.800 0.029 0.000 0.931 834 D HN 0.643 nan 8.370 nan 0.000 0.448 835 F N 0.755 120.718 119.950 0.021 0.000 2.259 835 F HA 0.110 4.637 4.527 -0.001 0.000 0.298 835 F C 1.965 177.786 175.800 0.035 0.000 1.088 835 F CA 0.589 58.605 58.000 0.026 0.000 1.358 835 F CB -0.766 38.249 39.000 0.025 0.000 1.040 835 F HN -0.112 nan 8.300 nan 0.000 0.505 836 E N 0.750 120.616 120.200 -0.556 0.000 2.077 836 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 836 E C 2.212 178.780 176.600 -0.054 0.000 0.989 836 E CA 1.411 57.650 56.400 -0.267 0.000 0.800 836 E CB -0.283 29.168 29.700 -0.415 0.000 0.746 836 E HN 0.434 nan 8.360 nan 0.000 0.452 837 R N 1.610 122.060 120.500 -0.084 0.000 2.115 837 R HA -0.115 4.224 4.340 -0.000 0.000 0.226 837 R C 2.165 178.514 176.300 0.081 0.000 1.100 837 R CA 1.428 57.526 56.100 -0.002 0.000 0.980 837 R CB 0.040 30.313 30.300 -0.045 0.000 0.875 837 R HN -0.062 nan 8.270 nan 0.000 0.445 838 K N 0.701 121.141 120.400 0.067 0.000 1.965 838 K HA -0.186 4.134 4.320 -0.000 0.000 0.214 838 K C 1.816 178.467 176.600 0.086 0.000 1.046 838 K CA 2.089 58.426 56.287 0.083 0.000 0.944 838 K CB -0.161 32.398 32.500 0.099 0.000 0.726 838 K HN 0.194 nan 8.250 nan 0.000 0.441 839 E N -0.482 119.779 120.200 0.101 0.000 2.108 839 E HA -0.259 4.091 4.350 -0.000 0.000 0.203 839 E C 1.894 178.504 176.600 0.018 0.000 1.022 839 E CA 1.841 58.272 56.400 0.051 0.000 0.823 839 E CB -0.269 29.475 29.700 0.073 0.000 0.744 839 E HN 0.378 nan 8.360 nan 0.000 0.456 840 F N 1.151 121.061 119.950 -0.067 0.000 2.134 840 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 840 F C 2.325 178.096 175.800 -0.049 0.000 1.097 840 F CA 1.472 59.430 58.000 -0.070 0.000 1.264 840 F CB 0.078 39.056 39.000 -0.037 0.000 1.001 840 F HN -0.179 nan 8.300 nan 0.000 0.479 841 R N 0.098 120.645 120.500 0.078 0.000 2.073 841 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 841 R C 2.194 178.438 176.300 -0.093 0.000 1.120 841 R CA 1.570 57.656 56.100 -0.023 0.000 0.967 841 R CB -0.403 29.941 30.300 0.073 0.000 0.862 841 R HN 0.370 nan 8.270 nan 0.000 0.436 842 E N 0.172 120.338 120.200 -0.057 0.000 2.204 842 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 842 E C 1.605 178.138 176.600 -0.111 0.000 0.989 842 E CA 0.654 57.017 56.400 -0.062 0.000 0.824 842 E CB 0.160 29.842 29.700 -0.029 0.000 0.756 842 E HN 0.069 nan 8.360 nan 0.000 0.477 843 L N 1.191 122.305 121.223 -0.182 0.000 2.102 843 L HA -0.124 4.216 4.340 -0.000 0.000 0.202 843 L C 2.108 178.843 176.870 -0.225 0.000 1.076 843 L CA 1.727 56.434 54.840 -0.222 0.000 0.761 843 L CB -0.370 41.490 42.059 -0.332 0.000 0.921 843 L HN -0.024 nan 8.230 nan 0.000 0.444 844 K N -1.175 119.019 120.400 -0.344 0.000 2.044 844 K HA -0.259 4.060 4.320 -0.000 0.000 0.210 844 K C 2.102 178.609 176.600 -0.155 0.000 1.049 844 K CA 2.214 58.319 56.287 -0.303 0.000 0.927 844 K CB -0.743 31.485 32.500 -0.453 0.000 0.713 844 K HN 0.168 nan 8.250 nan 0.000 0.443 845 M N 1.241 120.765 119.600 -0.126 0.000 2.108 845 M HA -0.169 4.310 4.480 -0.000 0.000 0.261 845 M C 1.987 178.264 176.300 -0.039 0.000 1.066 845 M CA 1.877 57.138 55.300 -0.065 0.000 1.107 845 M CB -0.178 32.391 32.600 -0.050 0.000 1.356 845 M HN 0.315 nan 8.290 nan 0.000 0.406 846 T N 0.574 115.099 114.554 -0.048 0.000 2.777 846 T HA -0.050 4.299 4.350 -0.000 0.000 0.266 846 T C 1.653 176.361 174.700 0.014 0.000 1.040 846 T CA 1.052 63.139 62.100 -0.022 0.000 1.141 846 T CB -0.141 68.706 68.868 -0.036 0.000 0.868 846 T HN 0.297 nan 8.240 nan 0.000 0.444 847 L N 1.168 122.402 121.223 0.018 0.000 1.961 847 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 847 L C 2.733 179.718 176.870 0.191 0.000 1.072 847 L CA 2.037 56.956 54.840 0.132 0.000 0.749 847 L CB -0.774 41.348 42.059 0.105 0.000 0.889 847 L HN 0.375 nan 8.230 nan 0.000 0.432 848 K N 0.513 120.951 120.400 0.063 0.000 2.127 848 K HA -0.227 4.092 4.320 -0.000 0.000 0.208 848 K C 2.079 178.730 176.600 0.086 0.000 1.047 848 K CA 2.201 58.515 56.287 0.044 0.000 0.927 848 K CB -0.355 32.135 32.500 -0.018 0.000 0.716 848 K HN 0.338 nan 8.250 nan 0.000 0.450 849 S N -0.199 115.539 115.700 0.064 0.000 2.446 849 S HA -0.068 4.402 4.470 -0.000 0.000 0.225 849 S C 1.938 176.573 174.600 0.058 0.000 1.016 849 S CA 0.554 58.784 58.200 0.051 0.000 0.943 849 S CB -0.430 62.786 63.200 0.027 0.000 0.786 849 S HN 0.474 nan 8.310 nan 0.000 0.508 850 N N 0.108 118.848 118.700 0.067 0.000 2.142 850 N HA -0.094 4.645 4.740 -0.000 0.000 0.186 850 N C 1.378 176.900 175.510 0.019 0.000 1.023 850 N CA 1.277 54.339 53.050 0.020 0.000 0.852 850 N CB -0.279 38.196 38.487 -0.020 0.000 0.998 850 N HN 0.498 nan 8.380 nan 0.000 0.424 851 Y N 1.460 121.763 120.300 0.006 0.000 2.274 851 Y HA -0.127 4.423 4.550 -0.001 0.000 0.290 851 Y C 2.664 178.566 175.900 0.004 0.000 1.145 851 Y CA 1.237 59.349 58.100 0.019 0.000 1.203 851 Y CB -0.114 38.355 38.460 0.016 0.000 0.984 851 Y HN 0.174 nan 8.280 nan 0.000 0.533 852 Q N -0.434 119.448 119.800 0.136 0.000 2.049 852 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 852 Q C 2.414 178.433 176.000 0.031 0.000 0.971 852 Q CA 1.536 57.376 55.803 0.060 0.000 0.833 852 Q CB -0.110 28.650 28.738 0.037 0.000 0.896 852 Q HN 0.353 nan 8.270 nan 0.000 0.434 853 R N -0.883 119.631 120.500 0.024 0.000 2.093 853 R HA -0.039 4.300 4.340 -0.000 0.000 0.224 853 R C 1.433 177.718 176.300 -0.023 0.000 1.101 853 R CA 1.663 57.765 56.100 0.004 0.000 0.979 853 R CB 0.067 30.372 30.300 0.009 0.000 0.877 853 R HN 0.113 nan 8.270 nan 0.000 0.441 854 T N -0.010 114.522 114.554 -0.037 0.000 3.039 854 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 854 T C 0.822 175.479 174.700 -0.073 0.000 1.052 854 T CA 0.662 62.717 62.100 -0.074 0.000 1.125 854 T CB 0.366 69.179 68.868 -0.093 0.000 0.908 854 T HN 0.287 nan 8.240 nan 0.000 0.473 855 K N 0.576 120.962 120.400 -0.024 0.000 2.517 855 K HA 0.583 4.903 4.320 -0.000 0.000 0.210 855 K C 0.613 177.263 176.600 0.084 0.000 1.166 855 K CA 0.223 56.532 56.287 0.036 0.000 1.030 855 K CB 1.155 33.707 32.500 0.088 0.000 0.974 855 K HN 0.106 nan 8.250 nan 0.000 0.585 856 A N 2.103 124.949 122.820 0.044 0.000 2.704 856 A HA -0.191 4.129 4.320 -0.000 0.000 0.299 856 A C 0.052 177.668 177.584 0.054 0.000 1.507 856 A CA 0.673 52.729 52.037 0.031 0.000 0.776 856 A CB -2.252 16.753 19.000 0.008 0.000 1.027 856 A HN 0.424 nan 8.150 nan 0.000 0.475 857 I N -0.223 120.406 120.570 0.098 0.000 2.307 857 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 857 I C -0.048 176.067 176.117 -0.003 0.000 1.021 857 I CA -0.775 60.571 61.300 0.076 0.000 1.224 857 I CB 1.278 39.421 38.000 0.239 0.000 1.376 857 I HN 0.237 nan 8.210 nan 0.000 0.470 858 L N 7.770 128.918 121.223 -0.126 0.000 2.268 858 L HA 0.347 4.687 4.340 -0.000 0.000 0.289 858 L C -0.023 176.788 176.870 -0.098 0.000 1.064 858 L CA 0.141 54.904 54.840 -0.128 0.000 0.824 858 L CB 0.549 42.450 42.059 -0.264 0.000 1.202 858 L HN 0.433 nan 8.230 nan 0.000 0.433 859 L N 3.256 124.423 121.223 -0.092 0.000 2.395 859 L HA 0.181 4.520 4.340 -0.000 0.000 0.269 859 L C 1.370 178.202 176.870 -0.062 0.000 1.133 859 L CA -0.515 54.248 54.840 -0.128 0.000 0.812 859 L CB 0.570 42.516 42.059 -0.189 0.000 1.125 859 L HN 0.589 nan 8.230 nan 0.000 0.452 860 D N 1.710 122.073 120.400 -0.062 0.000 2.321 860 D HA -0.202 4.437 4.640 -0.000 0.000 0.194 860 D C -0.167 176.125 176.300 -0.013 0.000 1.013 860 D CA 2.223 56.210 54.000 -0.023 0.000 0.863 860 D CB -0.007 40.780 40.800 -0.021 0.000 1.011 860 D HN 0.852 nan 8.370 nan 0.000 0.457 861 D N -2.580 117.805 120.400 -0.025 0.000 2.705 861 D HA 0.009 4.649 4.640 -0.000 0.000 0.211 861 D C -1.162 175.131 176.300 -0.011 0.000 0.890 861 D CA -0.497 53.491 54.000 -0.019 0.000 0.952 861 D CB -0.635 40.164 40.800 -0.001 0.000 4.152 861 D HN -0.042 nan 8.370 nan 0.000 0.479 862 I N 1.526 122.080 120.570 -0.028 0.000 2.505 862 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 862 I C 1.843 177.997 176.117 0.062 0.000 1.104 862 I CA 0.061 61.349 61.300 -0.021 0.000 1.387 862 I CB 0.649 38.592 38.000 -0.095 0.000 1.404 862 I HN 0.582 nan 8.210 nan 0.000 0.528 863 S N 5.538 121.294 115.700 0.094 0.000 2.365 863 S HA 0.251 4.721 4.470 -0.000 0.000 0.194 863 S C 1.222 175.957 174.600 0.225 0.000 1.093 863 S CA 0.708 58.998 58.200 0.150 0.000 1.224 863 S CB -0.046 63.261 63.200 0.179 0.000 0.961 863 S HN 0.742 nan 8.310 nan 0.000 0.412 864 A N 0.466 123.408 122.820 0.203 0.000 2.710 864 A HA 0.736 5.055 4.320 -0.000 0.000 0.253 864 A C -0.699 177.056 177.584 0.286 0.000 1.658 864 A CA -0.506 51.680 52.037 0.249 0.000 0.851 864 A CB -0.094 18.990 19.000 0.139 0.000 1.658 864 A HN 0.690 nan 8.150 nan 0.000 0.585 865 L N -1.115 120.283 121.223 0.293 0.000 2.753 865 L HA 0.405 4.745 4.340 -0.000 0.000 0.259 865 L C -0.197 176.833 176.870 0.267 0.000 0.958 865 L CA -0.577 54.430 54.840 0.279 0.000 0.955 865 L CB 1.410 43.677 42.059 0.347 0.000 1.317 865 L HN 0.828 nan 8.230 nan 0.000 0.436 866 A N 3.554 126.503 122.820 0.215 0.000 2.492 866 A HA 0.259 4.578 4.320 -0.000 0.000 0.254 866 A C -0.062 177.648 177.584 0.210 0.000 1.091 866 A CA 0.198 52.345 52.037 0.183 0.000 0.768 866 A CB 0.366 19.455 19.000 0.148 0.000 1.028 866 A HN 0.606 nan 8.150 nan 0.000 0.498 867 K N 2.662 123.139 120.400 0.127 0.000 2.185 867 K HA 0.573 4.893 4.320 -0.000 0.000 0.269 867 K C -0.708 175.868 176.600 -0.040 0.000 0.987 867 K CA -0.324 55.928 56.287 -0.059 0.000 0.865 867 K CB 1.092 33.502 32.500 -0.149 0.000 1.090 867 K HN 0.802 nan 8.250 nan 0.000 0.450 868 V N 0.809 120.696 119.914 -0.045 0.000 3.159 868 V HA 0.745 4.865 4.120 -0.000 0.000 0.308 868 V C -1.024 175.074 176.094 0.006 0.000 1.190 868 V CA -0.876 61.432 62.300 0.014 0.000 1.037 868 V CB 1.804 33.682 31.823 0.091 0.000 1.060 868 V HN 0.512 nan 8.190 nan 0.000 0.437 869 V N -0.902 119.030 119.914 0.030 0.000 2.709 869 V HA 0.866 4.986 4.120 -0.000 0.000 0.308 869 V C -2.872 173.324 176.094 0.170 0.000 1.062 869 V CA -1.996 60.353 62.300 0.082 0.000 0.901 869 V CB 1.744 33.606 31.823 0.065 0.000 1.003 869 V HN 0.917 nan 8.190 nan 0.000 0.425 870 P HA 0.409 nan 4.420 nan 0.000 0.287 870 P C -0.441 176.818 177.300 -0.069 0.000 1.270 870 P CA -0.577 62.551 63.100 0.047 0.000 0.844 870 P CB 1.854 33.573 31.700 0.032 0.000 1.068 871 V N 3.529 123.249 119.914 -0.324 0.000 2.479 871 V HA 0.020 4.139 4.120 -0.000 0.000 0.281 871 V C 1.609 177.382 176.094 -0.535 0.000 1.031 871 V CA 0.326 62.175 62.300 -0.752 0.000 1.038 871 V CB -0.549 30.599 31.823 -1.125 0.000 0.981 871 V HN 0.702 nan 8.190 nan 0.000 0.478 872 N N 3.695 122.163 118.700 -0.386 0.000 2.204 872 N HA 0.351 5.090 4.740 -0.000 0.000 0.219 872 N C 0.220 175.718 175.510 -0.020 0.000 1.151 872 N CA 0.566 53.542 53.050 -0.124 0.000 0.867 872 N CB 1.460 39.921 38.487 -0.043 0.000 1.043 872 N HN 0.777 nan 8.380 nan 0.000 0.516 873 G N -0.230 108.527 108.800 -0.072 0.000 2.356 873 G HA2 0.205 4.165 3.960 -0.000 0.000 0.266 873 G HA3 0.205 4.165 3.960 -0.000 0.000 0.266 873 G C -2.116 172.802 174.900 0.030 0.000 1.312 873 G CA -0.850 44.327 45.100 0.128 0.000 0.922 873 G HN 0.110 nan 8.290 nan 0.000 0.480 874 L N -0.380 120.872 121.223 0.049 0.000 2.319 874 L HA 0.896 5.236 4.340 -0.000 0.000 0.267 874 L C -0.473 176.469 176.870 0.120 0.000 1.011 874 L CA -1.273 53.596 54.840 0.047 0.000 0.818 874 L CB 2.028 44.082 42.059 -0.008 0.000 1.316 874 L HN 0.640 nan 8.230 nan 0.000 0.432 875 V N 2.213 122.262 119.914 0.226 0.000 2.808 875 V HA 0.418 4.538 4.120 -0.000 0.000 0.308 875 V C -0.610 175.585 176.094 0.168 0.000 1.099 875 V CA -0.619 61.823 62.300 0.237 0.000 0.920 875 V CB 2.348 34.236 31.823 0.107 0.000 1.014 875 V HN 0.749 nan 8.190 nan 0.000 0.425 876 R N 4.712 125.164 120.500 -0.079 0.000 2.442 876 R HA 0.304 4.643 4.340 -0.000 0.000 0.291 876 R C -0.081 176.059 176.300 -0.267 0.000 1.069 876 R CA -0.126 55.593 56.100 -0.635 0.000 1.022 876 R CB 0.421 30.314 30.300 -0.678 0.000 0.976 876 R HN 0.816 nan 8.270 nan 0.000 0.443 877 N N 0.504 119.055 118.700 -0.248 0.000 2.491 877 N HA 0.088 4.828 4.740 -0.000 0.000 0.279 877 N C 0.728 176.170 175.510 -0.114 0.000 1.236 877 N CA -0.419 52.557 53.050 -0.122 0.000 0.982 877 N CB 1.076 39.514 38.487 -0.081 0.000 1.194 877 N HN 0.428 nan 8.380 nan 0.000 0.582 878 S N 0.143 115.805 115.700 -0.063 0.000 2.382 878 S HA -0.155 4.315 4.470 -0.000 0.000 0.228 878 S C 1.067 175.640 174.600 -0.045 0.000 1.027 878 S CA 1.152 59.326 58.200 -0.044 0.000 0.991 878 S CB -0.309 62.877 63.200 -0.024 0.000 0.823 878 S HN 0.714 nan 8.310 nan 0.000 0.469 879 D N 0.544 120.914 120.400 -0.049 0.000 2.338 879 D HA 0.094 4.734 4.640 -0.000 0.000 0.239 879 D C 1.250 177.519 176.300 -0.053 0.000 1.095 879 D CA 0.747 54.723 54.000 -0.039 0.000 0.888 879 D CB -0.339 40.444 40.800 -0.029 0.000 0.899 879 D HN 0.457 nan 8.370 nan 0.000 0.525 880 G N 0.910 109.655 108.800 -0.093 0.000 2.184 880 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.264 880 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.264 880 G C 0.465 175.268 174.900 -0.161 0.000 0.975 880 G CA 0.588 45.617 45.100 -0.119 0.000 0.642 880 G HN 0.722 nan 8.290 nan 0.000 0.536 881 S N -0.842 114.775 115.700 -0.139 0.000 2.645 881 S HA 0.745 5.215 4.470 -0.000 0.000 0.266 881 S C -0.467 174.024 174.600 -0.182 0.000 1.258 881 S CA -0.520 57.630 58.200 -0.083 0.000 0.990 881 S CB 1.718 64.900 63.200 -0.030 0.000 0.967 881 S HN 0.493 nan 8.310 nan 0.000 0.556 882 Y N 0.206 120.496 120.300 -0.016 0.000 2.442 882 Y HA 0.580 5.130 4.550 -0.001 0.000 0.344 882 Y C 0.304 176.198 175.900 -0.010 0.000 0.976 882 Y CA -0.277 57.812 58.100 -0.018 0.000 1.040 882 Y CB 2.419 40.858 38.460 -0.035 0.000 1.228 882 Y HN 1.083 nan 8.280 nan 0.000 0.451 883 S N 1.512 117.313 115.700 0.169 0.000 2.661 883 S HA 0.594 5.063 4.470 -0.000 0.000 0.285 883 S C -1.446 173.189 174.600 0.059 0.000 1.138 883 S CA -1.494 56.765 58.200 0.099 0.000 0.855 883 S CB 1.653 64.898 63.200 0.076 0.000 1.136 883 S HN 0.482 nan 8.310 nan 0.000 0.484 884 K N 1.393 121.792 120.400 -0.001 0.000 2.472 884 K HA 0.230 4.549 4.320 -0.000 0.000 0.280 884 K C 0.107 176.574 176.600 -0.222 0.000 1.028 884 K CA 0.141 56.309 56.287 -0.199 0.000 1.045 884 K CB 0.477 32.796 32.500 -0.301 0.000 0.902 884 K HN 0.551 nan 8.250 nan 0.000 0.478 885 S N 2.999 118.503 115.700 -0.328 0.000 2.608 885 S HA 0.627 5.097 4.470 -0.000 0.000 0.291 885 S C -0.969 173.314 174.600 -0.528 0.000 1.146 885 S CA -0.785 57.299 58.200 -0.194 0.000 1.043 885 S CB 0.421 63.592 63.200 -0.047 0.000 1.037 885 S HN 0.354 nan 8.310 nan 0.000 0.520 886 F N 2.328 122.246 119.950 -0.053 0.000 2.551 886 F HA 0.424 4.950 4.527 -0.001 0.000 0.316 886 F C 0.487 176.266 175.800 -0.035 0.000 1.089 886 F CA -1.074 56.888 58.000 -0.064 0.000 0.915 886 F CB 1.292 40.255 39.000 -0.062 0.000 1.186 886 F HN 0.526 nan 8.300 nan 0.000 0.456 887 N N 2.038 120.810 118.700 0.121 0.000 2.468 887 N HA -0.013 4.727 4.740 -0.000 0.000 0.265 887 N C 0.723 176.288 175.510 0.091 0.000 1.199 887 N CA 0.368 53.468 53.050 0.084 0.000 0.928 887 N CB 0.780 39.300 38.487 0.055 0.000 1.059 887 N HN 0.754 nan 8.380 nan 0.000 0.467 888 E N 0.969 121.209 120.200 0.066 0.000 2.396 888 E HA -0.093 4.257 4.350 -0.000 0.000 0.200 888 E C -0.112 176.507 176.600 0.032 0.000 1.023 888 E CA 0.814 57.242 56.400 0.046 0.000 0.857 888 E CB 0.079 29.801 29.700 0.037 0.000 0.775 888 E HN 0.562 nan 8.360 nan 0.000 0.525 889 T N 1.395 115.971 114.554 0.036 0.000 2.743 889 T HA 0.271 4.621 4.350 -0.000 0.000 0.293 889 T C 0.069 174.774 174.700 0.009 0.000 0.945 889 T CA -0.663 61.453 62.100 0.027 0.000 1.030 889 T CB 1.019 69.907 68.868 0.034 0.000 0.912 889 T HN -0.128 nan 8.240 nan 0.000 0.483 890 I N 3.923 124.482 120.570 -0.019 0.000 2.587 890 I HA 0.078 4.247 4.170 -0.000 0.000 0.284 890 I C 0.791 176.825 176.117 -0.137 0.000 1.134 890 I CA 0.416 61.649 61.300 -0.111 0.000 1.410 890 I CB 0.003 37.916 38.000 -0.144 0.000 1.392 890 I HN 0.603 nan 8.210 nan 0.000 0.545 891 E N 5.699 125.805 120.200 -0.157 0.000 2.227 891 E HA 0.440 4.790 4.350 -0.000 0.000 0.268 891 E C -1.475 174.971 176.600 -0.257 0.000 0.907 891 E CA -0.771 55.549 56.400 -0.133 0.000 0.786 891 E CB 1.736 31.456 29.700 0.033 0.000 1.191 891 E HN 0.325 nan 8.360 nan 0.000 0.411 892 Y N 0.904 121.131 120.300 -0.122 0.000 2.360 892 Y HA 0.430 4.980 4.550 -0.000 0.000 0.337 892 Y C -0.765 174.974 175.900 -0.268 0.000 1.039 892 Y CA -0.596 57.463 58.100 -0.067 0.000 1.109 892 Y CB 1.114 39.556 38.460 -0.029 0.000 1.201 892 Y HN 0.436 nan 8.280 nan 0.000 0.458 893 Y N 2.221 122.658 120.300 0.229 0.000 2.470 893 Y HA 0.409 4.959 4.550 -0.000 0.000 0.341 893 Y C -2.544 173.414 175.900 0.096 0.000 1.021 893 Y CA -2.810 55.390 58.100 0.167 0.000 1.025 893 Y CB 2.032 40.580 38.460 0.146 0.000 1.266 893 Y HN 0.427 nan 8.280 nan 0.000 0.448 894 P HA 0.014 nan 4.420 nan 0.000 0.268 894 P C 0.869 178.205 177.300 0.061 0.000 1.208 894 P CA 0.021 63.147 63.100 0.043 0.000 0.777 894 P CB 0.947 32.580 31.700 -0.111 0.000 0.875 895 L N 2.227 123.480 121.223 0.050 0.000 2.141 895 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 895 L C 2.261 179.105 176.870 -0.042 0.000 1.094 895 L CA 1.289 56.148 54.840 0.032 0.000 0.763 895 L CB -0.459 41.629 42.059 0.048 0.000 0.908 895 L HN 0.439 nan 8.230 nan 0.000 0.437 896 Q N -0.174 119.570 119.800 -0.093 0.000 2.226 896 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 896 Q C 1.803 177.672 176.000 -0.219 0.000 0.975 896 Q CA 1.505 57.205 55.803 -0.173 0.000 0.866 896 Q CB -0.517 28.104 28.738 -0.195 0.000 0.915 896 Q HN 0.549 nan 8.270 nan 0.000 0.440 897 L N 0.961 122.066 121.223 -0.196 0.000 2.591 897 L HA 0.159 4.498 4.340 -0.000 0.000 0.228 897 L C 0.504 177.363 176.870 -0.018 0.000 1.133 897 L CA -0.282 54.447 54.840 -0.185 0.000 0.880 897 L CB 0.087 42.081 42.059 -0.108 0.000 1.033 897 L HN 0.122 nan 8.230 nan 0.000 0.450 898 I N 0.872 121.426 120.570 -0.026 0.000 2.371 898 I HA 0.151 4.320 4.170 -0.000 0.000 0.290 898 I C 0.087 176.207 176.117 0.005 0.000 1.028 898 I CA -0.009 61.288 61.300 -0.007 0.000 1.345 898 I CB 1.376 39.369 38.000 -0.011 0.000 1.407 898 I HN -0.276 nan 8.210 nan 0.000 0.501 899 V N 7.458 127.400 119.914 0.047 0.000 2.483 899 V HA 0.237 4.357 4.120 -0.000 0.000 0.295 899 V C 1.143 177.254 176.094 0.029 0.000 1.035 899 V CA -0.513 61.810 62.300 0.039 0.000 0.896 899 V CB 1.771 33.620 31.823 0.042 0.000 0.986 899 V HN 0.728 nan 8.190 nan 0.000 0.447 900 E N 1.859 122.049 120.200 -0.016 0.000 2.076 900 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 900 E C 0.042 176.686 176.600 0.073 0.000 0.979 900 E CA 0.878 57.246 56.400 -0.053 0.000 0.807 900 E CB 0.292 29.989 29.700 -0.005 0.000 0.761 900 E HN 0.730 nan 8.360 nan 0.000 0.454 901 D N -1.401 119.005 120.400 0.010 0.000 2.665 901 D HA 0.352 4.991 4.640 -0.000 0.000 0.287 901 D C -1.898 174.241 176.300 -0.267 0.000 1.266 901 D CA -0.621 53.363 54.000 -0.028 0.000 0.830 901 D CB 2.283 43.111 40.800 0.046 0.000 1.356 901 D HN -0.134 nan 8.370 nan 0.000 0.437 902 V N 2.034 121.772 119.914 -0.294 0.000 2.891 902 V HA 0.295 4.415 4.120 -0.000 0.000 0.304 902 V C 0.823 176.826 176.094 -0.152 0.000 1.171 902 V CA -0.533 61.565 62.300 -0.335 0.000 0.943 902 V CB 2.122 33.530 31.823 -0.692 0.000 1.037 902 V HN 0.606 nan 8.190 nan 0.000 0.427 903 K N 2.502 122.838 120.400 -0.108 0.000 2.009 903 K HA -0.021 4.299 4.320 -0.000 0.000 0.210 903 K C 0.693 177.271 176.600 -0.037 0.000 1.049 903 K CA 1.197 57.450 56.287 -0.057 0.000 0.929 903 K CB -0.024 32.446 32.500 -0.050 0.000 0.714 903 K HN 0.558 nan 8.250 nan 0.000 0.440 904 N N 1.935 120.612 118.700 -0.038 0.000 2.457 904 N HA 0.070 4.810 4.740 -0.000 0.000 0.250 904 N C -1.039 174.479 175.510 0.013 0.000 0.982 904 N CA -0.048 52.993 53.050 -0.014 0.000 0.941 904 N CB 0.900 39.379 38.487 -0.013 0.000 1.120 904 N HN 0.064 nan 8.380 nan 0.000 0.505 905 K N 1.412 121.835 120.400 0.038 0.000 2.172 905 K HA 0.103 4.423 4.320 -0.000 0.000 0.276 905 K C -0.457 176.178 176.600 0.058 0.000 1.013 905 K CA -0.698 55.647 56.287 0.095 0.000 0.913 905 K CB 1.329 33.895 32.500 0.111 0.000 1.055 905 K HN 0.401 nan 8.250 nan 0.000 0.461 906 D N 2.744 123.193 120.400 0.082 0.000 2.383 906 D HA -0.071 4.569 4.640 -0.000 0.000 0.275 906 D C 0.996 177.252 176.300 -0.073 0.000 1.344 906 D CA 0.493 54.481 54.000 -0.020 0.000 0.984 906 D CB 0.405 41.184 40.800 -0.035 0.000 1.104 906 D HN 0.522 nan 8.370 nan 0.000 0.524 907 E N 3.113 123.255 120.200 -0.096 0.000 2.136 907 E HA -0.274 4.076 4.350 -0.000 0.000 0.202 907 E C 1.582 178.088 176.600 -0.157 0.000 1.019 907 E CA 1.436 57.774 56.400 -0.104 0.000 0.819 907 E CB 0.167 29.802 29.700 -0.107 0.000 0.739 907 E HN 0.467 nan 8.360 nan 0.000 0.458 908 R N -1.256 119.074 120.500 -0.282 0.000 2.303 908 R HA -0.140 4.199 4.340 -0.000 0.000 0.225 908 R C 0.867 176.988 176.300 -0.299 0.000 1.114 908 R CA 1.173 57.058 56.100 -0.358 0.000 1.007 908 R CB -0.089 29.911 30.300 -0.500 0.000 0.861 908 R HN 0.430 nan 8.270 nan 0.000 0.471 909 Y N -0.710 119.537 120.300 -0.088 0.000 2.612 909 Y HA 0.283 4.832 4.550 -0.001 0.000 0.250 909 Y C 0.298 176.155 175.900 -0.071 0.000 1.175 909 Y CA -0.958 57.085 58.100 -0.095 0.000 1.205 909 Y CB 0.661 39.058 38.460 -0.105 0.000 1.201 909 Y HN -0.106 nan 8.280 nan 0.000 0.532 910 I N 2.222 122.824 120.570 0.055 0.000 2.587 910 I HA -0.069 4.101 4.170 -0.000 0.000 0.284 910 I C 0.379 176.512 176.117 0.025 0.000 1.134 910 I CA 0.457 61.776 61.300 0.031 0.000 1.410 910 I CB 0.369 38.369 38.000 -0.000 0.000 1.392 910 I HN 0.184 nan 8.210 nan 0.000 0.545 911 E N 7.574 127.796 120.200 0.037 0.000 2.384 911 E HA 0.089 4.439 4.350 -0.000 0.000 0.266 911 E C -0.460 176.165 176.600 0.041 0.000 1.012 911 E CA -0.098 56.331 56.400 0.047 0.000 0.901 911 E CB 0.650 30.379 29.700 0.049 0.000 0.967 911 E HN 0.451 nan 8.360 nan 0.000 0.435 912 K N 2.294 122.733 120.400 0.065 0.000 2.267 912 K HA 0.427 4.747 4.320 -0.000 0.000 0.246 912 K C -0.308 176.332 176.600 0.067 0.000 0.954 912 K CA -1.032 55.287 56.287 0.054 0.000 0.824 912 K CB 1.767 34.285 32.500 0.031 0.000 1.167 912 K HN 0.172 nan 8.250 nan 0.000 0.431 913 E N 1.613 121.835 120.200 0.037 0.000 2.369 913 E HA 0.273 4.623 4.350 -0.000 0.000 0.255 913 E C -2.169 174.445 176.600 0.024 0.000 1.172 913 E CA -2.072 54.343 56.400 0.024 0.000 0.932 913 E CB 0.214 29.920 29.700 0.010 0.000 1.040 913 E HN 0.436 nan 8.360 nan 0.000 0.454 914 P HA 0.101 nan 4.420 nan 0.000 0.269 914 P C -0.543 176.752 177.300 -0.007 0.000 1.217 914 P CA 0.310 63.407 63.100 -0.005 0.000 0.783 914 P CB 0.431 32.123 31.700 -0.014 0.000 0.898 915 L N 2.693 123.907 121.223 -0.016 0.000 2.341 915 L HA 0.522 4.862 4.340 -0.000 0.000 0.267 915 L C -2.197 174.652 176.870 -0.035 0.000 1.009 915 L CA -2.296 52.525 54.840 -0.033 0.000 0.819 915 L CB 1.750 43.777 42.059 -0.053 0.000 1.323 915 L HN 0.254 nan 8.230 nan 0.000 0.425 916 P HA 0.125 nan 4.420 nan 0.000 0.271 916 P C 0.981 178.241 177.300 -0.067 0.000 1.216 916 P CA -0.560 62.506 63.100 -0.057 0.000 0.776 916 P CB 0.332 31.985 31.700 -0.078 0.000 0.881 917 I N 2.640 123.188 120.570 -0.038 0.000 2.181 917 I HA -0.409 3.760 4.170 -0.000 0.000 0.240 917 I C 1.514 177.605 176.117 -0.043 0.000 1.006 917 I CA 2.813 64.139 61.300 0.043 0.000 1.284 917 I CB -2.651 35.337 38.000 -0.021 0.000 0.990 917 I HN 0.555 nan 8.210 nan 0.000 0.408 918 N N 0.657 119.108 118.700 -0.416 0.000 2.364 918 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 918 N C 1.567 177.050 175.510 -0.045 0.000 1.022 918 N CA 0.807 53.628 53.050 -0.381 0.000 0.883 918 N CB -0.093 38.058 38.487 -0.560 0.000 0.965 918 N HN 0.345 nan 8.380 nan 0.000 0.438 919 K N 0.702 121.060 120.400 -0.070 0.000 2.202 919 K HA 0.022 4.342 4.320 -0.000 0.000 0.201 919 K C 1.681 178.225 176.600 -0.093 0.000 1.051 919 K CA 0.652 56.907 56.287 -0.054 0.000 0.977 919 K CB -0.065 32.396 32.500 -0.064 0.000 0.792 919 K HN 0.423 nan 8.250 nan 0.000 0.469 920 E N -0.627 119.477 120.200 -0.160 0.000 2.230 920 E HA 0.003 4.352 4.350 -0.000 0.000 0.192 920 E C -0.577 175.588 176.600 -0.725 0.000 0.987 920 E CA 0.447 56.594 56.400 -0.422 0.000 0.841 920 E CB 0.370 29.773 29.700 -0.495 0.000 0.783 920 E HN 0.094 nan 8.360 nan 0.000 0.481 921 F N 1.570 121.578 119.950 0.096 0.000 2.710 921 F HA 0.347 4.874 4.527 -0.000 0.000 0.345 921 F C -2.358 173.565 175.800 0.205 0.000 1.362 921 F CA -2.410 55.673 58.000 0.138 0.000 1.175 921 F CB 1.244 40.342 39.000 0.164 0.000 1.561 921 F HN -0.142 nan 8.300 nan 0.000 0.593 922 P HA -0.116 nan 4.420 nan 0.000 0.265 922 P C 0.019 177.469 177.300 0.249 0.000 1.187 922 P CA -0.021 63.225 63.100 0.242 0.000 0.766 922 P CB 0.851 32.626 31.700 0.125 0.000 0.820 923 K N 2.085 122.645 120.400 0.266 0.000 2.504 923 K HA 0.050 4.370 4.320 -0.000 0.000 0.278 923 K C 1.324 177.966 176.600 0.070 0.000 1.025 923 K CA 1.256 57.600 56.287 0.094 0.000 1.093 923 K CB -0.781 31.771 32.500 0.088 0.000 0.873 923 K HN 0.800 nan 8.250 nan 0.000 0.483 924 G N 2.045 110.865 108.800 0.034 0.000 2.268 924 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.240 924 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.240 924 G C 0.145 175.082 174.900 0.061 0.000 1.010 924 G CA 0.297 45.420 45.100 0.040 0.000 0.618 924 G HN 0.859 nan 8.290 nan 0.000 0.516 925 S N 1.254 117.008 115.700 0.090 0.000 2.573 925 S HA 0.359 4.828 4.470 -0.000 0.000 0.297 925 S C 0.480 175.143 174.600 0.105 0.000 1.280 925 S CA 0.552 58.818 58.200 0.109 0.000 1.061 925 S CB 0.494 63.791 63.200 0.161 0.000 0.812 925 S HN 0.364 nan 8.310 nan 0.000 0.500 926 K N 3.062 123.522 120.400 0.101 0.000 2.156 926 K HA 0.544 4.864 4.320 -0.000 0.000 0.271 926 K C -0.094 176.583 176.600 0.128 0.000 0.995 926 K CA -0.555 55.795 56.287 0.104 0.000 0.890 926 K CB 1.405 33.962 32.500 0.095 0.000 1.073 926 K HN 0.657 nan 8.250 nan 0.000 0.454 927 V N -1.199 118.799 119.914 0.140 0.000 3.181 927 V HA 0.548 4.668 4.120 -0.000 0.000 0.308 927 V C -0.554 175.641 176.094 0.169 0.000 1.214 927 V CA -1.137 61.257 62.300 0.158 0.000 1.053 927 V CB 1.992 33.915 31.823 0.167 0.000 1.069 927 V HN 0.262 nan 8.190 nan 0.000 0.441 928 V N 2.113 122.120 119.914 0.155 0.000 2.383 928 V HA 0.378 4.498 4.120 -0.000 0.000 0.275 928 V C -0.264 175.925 176.094 0.159 0.000 1.036 928 V CA -0.137 62.259 62.300 0.161 0.000 0.889 928 V CB 0.937 32.821 31.823 0.101 0.000 0.985 928 V HN 0.757 nan 8.190 nan 0.000 0.459 929 F N 6.584 126.545 119.950 0.019 0.000 2.472 929 F HA 0.447 4.974 4.527 -0.000 0.000 0.364 929 F C 0.181 175.990 175.800 0.014 0.000 1.090 929 F CA -0.304 57.704 58.000 0.014 0.000 1.188 929 F CB 0.210 39.231 39.000 0.035 0.000 1.105 929 F HN 0.323 nan 8.300 nan 0.000 0.536 930 L N 4.449 125.377 121.223 -0.492 0.000 2.472 930 L HA 0.782 5.122 4.340 -0.000 0.000 0.256 930 L C 0.681 177.098 176.870 -0.755 0.000 1.111 930 L CA -0.669 53.973 54.840 -0.330 0.000 0.800 930 L CB 0.464 42.469 42.059 -0.090 0.000 1.286 930 L HN 0.845 nan 8.230 nan 0.000 0.479 931 G N 0.276 108.932 108.800 -0.240 0.000 2.785 931 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 931 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 931 G C -0.333 174.552 174.900 -0.025 0.000 1.155 931 G CA -0.231 44.694 45.100 -0.292 0.000 0.760 931 G HN 0.742 nan 8.290 nan 0.000 0.624 932 D N 0.216 120.701 120.400 0.141 0.000 2.178 932 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 932 D C 1.825 178.269 176.300 0.241 0.000 0.980 932 D CA 1.924 56.023 54.000 0.165 0.000 0.842 932 D CB -0.105 40.789 40.800 0.157 0.000 0.948 932 D HN 0.590 nan 8.370 nan 0.000 0.472 933 Y N 1.263 121.727 120.300 0.274 0.000 2.128 933 Y HA -0.053 4.497 4.550 -0.000 0.000 0.284 933 Y C 0.544 176.602 175.900 0.263 0.000 1.154 933 Y CA 1.454 59.709 58.100 0.259 0.000 1.149 933 Y CB 0.090 38.693 38.460 0.239 0.000 0.976 933 Y HN -0.037 nan 8.280 nan 0.000 0.505 934 A N -0.802 122.163 122.820 0.242 0.000 3.300 934 A HA 0.202 4.522 4.320 -0.000 0.000 0.300 934 A C -1.579 176.167 177.584 0.270 0.000 1.099 934 A CA -0.515 51.576 52.037 0.090 0.000 0.846 934 A CB -1.330 17.607 19.000 -0.105 0.000 1.255 934 A HN 0.276 nan 8.150 nan 0.000 0.519 935 Y N 1.653 121.984 120.300 0.053 0.000 2.828 935 Y HA 0.315 4.865 4.550 -0.001 0.000 0.359 935 Y C 1.351 177.280 175.900 0.049 0.000 1.258 935 Y CA 1.457 59.562 58.100 0.009 0.000 1.652 935 Y CB -0.141 38.313 38.460 -0.010 0.000 1.232 935 Y HN 1.337 nan 8.280 nan 0.000 0.513 936 G N 3.224 111.910 108.800 -0.191 0.000 2.148 936 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.203 936 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.203 936 G C 0.439 175.352 174.900 0.022 0.000 0.993 936 G CA -0.271 44.763 45.100 -0.110 0.000 0.661 936 G HN 1.143 nan 8.290 nan 0.000 0.518 937 G N -0.329 108.519 108.800 0.080 0.000 2.476 937 G HA2 0.514 4.474 3.960 -0.000 0.000 0.269 937 G HA3 0.514 4.474 3.960 -0.000 0.000 0.269 937 G C -0.034 174.866 174.900 -0.001 0.000 1.195 937 G CA 0.173 45.266 45.100 -0.011 0.000 0.843 937 G HN 0.490 nan 8.290 nan 0.000 0.545 938 E N 0.195 120.282 120.200 -0.187 0.000 2.299 938 E HA 0.448 4.798 4.350 -0.000 0.000 0.272 938 E C 0.215 176.840 176.600 0.041 0.000 1.043 938 E CA -0.329 56.081 56.400 0.017 0.000 0.895 938 E CB 0.478 30.176 29.700 -0.003 0.000 1.011 938 E HN 0.556 nan 8.360 nan 0.000 0.432 939 A N 3.823 126.698 122.820 0.092 0.000 2.356 939 A HA 0.610 4.930 4.320 -0.000 0.000 0.323 939 A C -0.694 176.913 177.584 0.039 0.000 1.119 939 A CA -0.648 51.409 52.037 0.033 0.000 0.790 939 A CB 2.038 21.080 19.000 0.069 0.000 1.273 939 A HN 0.586 nan 8.150 nan 0.000 0.452 940 T N 1.249 115.800 114.554 -0.004 0.000 2.841 940 T HA 0.437 4.786 4.350 -0.000 0.000 0.285 940 T C -0.519 174.163 174.700 -0.029 0.000 0.991 940 T CA -0.328 61.774 62.100 0.002 0.000 0.966 940 T CB 1.298 70.163 68.868 -0.005 0.000 0.962 940 T HN 0.461 nan 8.240 nan 0.000 0.438 941 V N 4.137 124.043 119.914 -0.013 0.000 2.439 941 V HA 0.109 4.228 4.120 -0.000 0.000 0.271 941 V C 0.579 176.597 176.094 -0.126 0.000 1.040 941 V CA 0.200 62.459 62.300 -0.067 0.000 1.002 941 V CB 0.639 32.472 31.823 0.017 0.000 1.000 941 V HN 0.871 nan 8.190 nan 0.000 0.477 942 D N 3.139 123.428 120.400 -0.186 0.000 2.338 942 D HA 0.285 4.925 4.640 -0.000 0.000 0.224 942 D C 0.900 177.043 176.300 -0.261 0.000 0.967 942 D CA 1.406 55.304 54.000 -0.170 0.000 0.896 942 D CB 1.023 41.744 40.800 -0.132 0.000 1.028 942 D HN 0.715 nan 8.370 nan 0.000 0.493 943 G N -1.332 107.202 108.800 -0.444 0.000 2.490 943 G HA2 0.438 4.397 3.960 -0.000 0.000 0.308 943 G HA3 0.438 4.397 3.960 -0.000 0.000 0.308 943 G C -2.026 172.340 174.900 -0.890 0.000 1.286 943 G CA -0.833 43.896 45.100 -0.617 0.000 0.825 943 G HN -0.008 nan 8.290 nan 0.000 0.479 944 Y N 0.211 120.519 120.300 0.014 0.000 2.425 944 Y HA 0.473 5.023 4.550 -0.000 0.000 0.344 944 Y C 1.008 176.912 175.900 0.006 0.000 0.969 944 Y CA -1.065 57.043 58.100 0.014 0.000 1.052 944 Y CB 2.327 40.803 38.460 0.027 0.000 1.215 944 Y HN 0.374 nan 8.280 nan 0.000 0.451 945 N N 0.172 118.942 118.700 0.117 0.000 2.405 945 N HA -0.005 4.734 4.740 -0.000 0.000 0.175 945 N C 0.533 176.087 175.510 0.073 0.000 1.051 945 N CA 0.640 53.729 53.050 0.064 0.000 0.899 945 N CB 0.743 39.246 38.487 0.027 0.000 1.000 945 N HN 0.619 nan 8.380 nan 0.000 0.451 946 S N 0.087 115.845 115.700 0.097 0.000 3.939 946 S HA 0.186 4.656 4.470 -0.000 0.000 0.302 946 S C -0.727 173.918 174.600 0.075 0.000 1.108 946 S CA -0.433 57.807 58.200 0.067 0.000 1.225 946 S CB 0.333 63.560 63.200 0.046 0.000 1.467 946 S HN 0.188 nan 8.310 nan 0.000 0.735 947 E N 0.132 120.358 120.200 0.043 0.000 2.887 947 E HA 0.307 4.656 4.350 -0.000 0.000 0.206 947 E C 0.217 176.833 176.600 0.027 0.000 0.983 947 E CA 0.301 56.710 56.400 0.015 0.000 1.141 947 E CB 0.614 30.308 29.700 -0.010 0.000 1.061 947 E HN 0.480 nan 8.360 nan 0.000 0.468 948 T N -1.097 113.487 114.554 0.051 0.000 3.177 948 T HA 0.212 4.561 4.350 -0.000 0.000 0.267 948 T C -0.090 174.642 174.700 0.053 0.000 0.858 948 T CA -0.327 61.801 62.100 0.047 0.000 0.846 948 T CB 0.360 69.245 68.868 0.029 0.000 1.256 948 T HN -0.003 nan 8.240 nan 0.000 0.601 949 R N 1.635 122.175 120.500 0.066 0.000 2.740 949 R HA 0.755 5.095 4.340 -0.000 0.000 0.282 949 R C -0.572 175.786 176.300 0.097 0.000 0.969 949 R CA -0.673 55.460 56.100 0.054 0.000 0.918 949 R CB 2.171 32.490 30.300 0.032 0.000 1.175 949 R HN 0.569 nan 8.270 nan 0.000 0.464 950 L N -1.548 119.708 121.223 0.055 0.000 2.322 950 L HA 0.728 5.068 4.340 -0.000 0.000 0.252 950 L C -0.758 176.081 176.870 -0.051 0.000 1.055 950 L CA -1.195 53.664 54.840 0.031 0.000 0.849 950 L CB 2.237 44.327 42.059 0.052 0.000 1.446 950 L HN 0.475 nan 8.230 nan 0.000 0.416 951 K N 1.305 121.632 120.400 -0.122 0.000 2.324 951 K HA 0.818 5.138 4.320 -0.000 0.000 0.253 951 K C -1.565 174.948 176.600 -0.145 0.000 0.932 951 K CA -0.780 55.436 56.287 -0.119 0.000 0.799 951 K CB 2.388 34.822 32.500 -0.110 0.000 1.154 951 K HN 0.773 nan 8.250 nan 0.000 0.425 952 L N -0.429 120.714 121.223 -0.134 0.000 2.341 952 L HA 0.570 4.910 4.340 -0.000 0.000 0.254 952 L C -0.657 176.126 176.870 -0.145 0.000 1.040 952 L CA -1.121 53.637 54.840 -0.136 0.000 0.837 952 L CB 2.093 44.075 42.059 -0.129 0.000 1.425 952 L HN 0.532 nan 8.230 nan 0.000 0.414 953 T N 0.942 115.422 114.554 -0.123 0.000 2.756 953 T HA 0.560 4.910 4.350 -0.000 0.000 0.290 953 T C -0.445 174.176 174.700 -0.132 0.000 0.985 953 T CA -0.382 61.647 62.100 -0.118 0.000 0.955 953 T CB 1.417 70.240 68.868 -0.075 0.000 0.930 953 T HN 0.316 nan 8.240 nan 0.000 0.451 954 V N 4.733 124.544 119.914 -0.172 0.000 2.347 954 V HA 0.362 4.481 4.120 -0.000 0.000 0.280 954 V C -0.077 176.003 176.094 -0.022 0.000 1.021 954 V CA -0.992 61.207 62.300 -0.168 0.000 0.847 954 V CB 1.236 32.831 31.823 -0.380 0.000 0.990 954 V HN 0.666 nan 8.190 nan 0.000 0.444 955 K N 3.978 124.360 120.400 -0.031 0.000 2.285 955 K HA 0.277 4.597 4.320 -0.000 0.000 0.286 955 K C 0.042 176.612 176.600 -0.051 0.000 1.072 955 K CA -0.106 56.169 56.287 -0.020 0.000 0.913 955 K CB 0.566 33.041 32.500 -0.041 0.000 1.067 955 K HN 0.441 nan 8.250 nan 0.000 0.479 956 K N 2.254 122.630 120.400 -0.040 0.000 2.310 956 K HA 0.079 4.399 4.320 -0.000 0.000 0.290 956 K C 0.867 177.420 176.600 -0.079 0.000 1.077 956 K CA -0.060 56.140 56.287 -0.144 0.000 0.922 956 K CB 0.623 32.954 32.500 -0.282 0.000 1.057 956 K HN 0.879 nan 8.250 nan 0.000 0.479 957 G N 1.811 110.563 108.800 -0.079 0.000 2.534 957 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 957 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 957 G C 0.299 175.195 174.900 -0.007 0.000 1.128 957 G CA 0.354 45.429 45.100 -0.042 0.000 0.784 957 G HN 0.537 nan 8.290 nan 0.000 0.542 958 S N -1.547 114.146 115.700 -0.011 0.000 2.535 958 S HA 0.459 4.929 4.470 -0.000 0.000 0.272 958 S C -0.166 174.434 174.600 -0.000 0.000 1.149 958 S CA -0.745 57.462 58.200 0.012 0.000 0.888 958 S CB 1.107 64.340 63.200 0.054 0.000 1.110 958 S HN -0.010 nan 8.310 nan 0.000 0.463 959 L N 2.918 124.145 121.223 0.007 0.000 2.728 959 L HA 0.464 4.804 4.340 -0.000 0.000 0.238 959 L C 0.968 177.850 176.870 0.021 0.000 1.143 959 L CA -0.098 54.747 54.840 0.008 0.000 0.937 959 L CB 0.140 42.206 42.059 0.012 0.000 1.225 959 L HN 0.510 nan 8.230 nan 0.000 0.507 960 R N 1.186 121.706 120.500 0.033 0.000 2.474 960 R HA 0.659 4.998 4.340 -0.000 0.000 0.295 960 R C 0.159 176.523 176.300 0.106 0.000 0.980 960 R CA -0.414 55.716 56.100 0.050 0.000 0.934 960 R CB 1.326 31.629 30.300 0.005 0.000 1.101 960 R HN 0.048 nan 8.270 nan 0.000 0.469 961 A N 3.142 126.027 122.820 0.107 0.000 2.583 961 A HA -0.050 4.270 4.320 -0.000 0.000 0.231 961 A C -0.133 177.563 177.584 0.186 0.000 1.065 961 A CA 0.150 52.259 52.037 0.119 0.000 0.760 961 A CB 0.035 19.095 19.000 0.099 0.000 1.001 961 A HN 0.802 nan 8.150 nan 0.000 0.509 962 E N 1.681 121.945 120.200 0.107 0.000 2.413 962 E HA 0.262 4.612 4.350 -0.000 0.000 0.263 962 E C -1.711 174.873 176.600 -0.026 0.000 1.015 962 E CA -1.018 55.404 56.400 0.037 0.000 0.916 962 E CB 0.218 29.925 29.700 0.013 0.000 0.947 962 E HN 0.513 nan 8.360 nan 0.000 0.440 963 P HA 0.079 nan 4.420 nan 0.000 0.275 963 P C -0.257 176.965 177.300 -0.131 0.000 1.270 963 P CA -0.055 62.866 63.100 -0.298 0.000 0.791 963 P CB 0.742 31.981 31.700 -0.768 0.000 1.089 964 N N -1.523 117.131 118.700 -0.077 0.000 2.419 964 N HA 0.020 4.760 4.740 -0.000 0.000 0.216 964 N C 1.508 177.005 175.510 -0.021 0.000 1.118 964 N CA 0.205 53.239 53.050 -0.027 0.000 0.850 964 N CB -0.462 38.028 38.487 0.004 0.000 1.292 964 N HN 0.205 nan 8.380 nan 0.000 0.467 965 I N -0.069 120.486 120.570 -0.026 0.000 2.127 965 I HA 0.017 4.186 4.170 -0.000 0.000 0.241 965 I C 2.347 178.462 176.117 -0.003 0.000 1.075 965 I CA 1.641 62.936 61.300 -0.009 0.000 1.334 965 I CB -1.484 36.514 38.000 -0.004 0.000 1.040 965 I HN 0.019 nan 8.210 nan 0.000 0.405 966 G N 1.022 109.817 108.800 -0.009 0.000 2.681 966 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.220 966 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.220 966 G C 1.732 176.642 174.900 0.017 0.000 1.210 966 G CA 1.712 46.816 45.100 0.007 0.000 0.783 966 G HN 0.476 nan 8.290 nan 0.000 0.609 967 K N -0.383 120.025 120.400 0.014 0.000 2.020 967 K HA -0.080 4.240 4.320 -0.000 0.000 0.212 967 K C 2.677 179.285 176.600 0.013 0.000 1.050 967 K CA 1.419 57.717 56.287 0.018 0.000 0.929 967 K CB -0.605 31.903 32.500 0.013 0.000 0.714 967 K HN 0.204 nan 8.250 nan 0.000 0.443 968 V N 1.782 121.701 119.914 0.008 0.000 2.250 968 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 968 V C 2.366 178.467 176.094 0.010 0.000 1.060 968 V CA 1.829 64.135 62.300 0.008 0.000 1.030 968 V CB -0.447 31.381 31.823 0.008 0.000 0.643 968 V HN 0.324 nan 8.190 nan 0.000 0.445 969 R N 0.009 120.517 120.500 0.012 0.000 2.090 969 R HA 0.049 4.388 4.340 -0.000 0.000 0.228 969 R C 2.357 178.668 176.300 0.017 0.000 1.110 969 R CA 1.367 57.475 56.100 0.014 0.000 0.973 969 R CB -1.287 29.022 30.300 0.014 0.000 0.869 969 R HN 0.541 nan 8.270 nan 0.000 0.440 970 A N 1.877 124.711 122.820 0.022 0.000 1.908 970 A HA -0.197 4.122 4.320 -0.000 0.000 0.218 970 A C 2.214 179.809 177.584 0.017 0.000 1.181 970 A CA 1.665 53.718 52.037 0.028 0.000 0.627 970 A CB -0.409 18.616 19.000 0.042 0.000 0.818 970 A HN 0.212 nan 8.150 nan 0.000 0.445 971 K N -1.015 119.390 120.400 0.010 0.000 2.155 971 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 971 K C 1.826 178.430 176.600 0.008 0.000 1.052 971 K CA 0.928 57.217 56.287 0.003 0.000 0.948 971 K CB -0.217 32.282 32.500 -0.002 0.000 0.728 971 K HN 0.328 nan 8.250 nan 0.000 0.448 972 L N 1.849 123.078 121.223 0.010 0.000 2.017 972 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 972 L C 1.741 178.620 176.870 0.014 0.000 1.073 972 L CA 1.834 56.680 54.840 0.011 0.000 0.745 972 L CB -0.542 41.523 42.059 0.010 0.000 0.894 972 L HN 0.152 nan 8.230 nan 0.000 0.432 973 D N -1.209 119.202 120.400 0.018 0.000 2.097 973 D HA -0.153 4.486 4.640 -0.000 0.000 0.195 973 D C 2.376 178.698 176.300 0.038 0.000 0.989 973 D CA 1.595 55.610 54.000 0.025 0.000 0.827 973 D CB -0.249 40.566 40.800 0.026 0.000 0.966 973 D HN 0.426 nan 8.370 nan 0.000 0.456 974 S N 0.415 116.136 115.700 0.034 0.000 2.402 974 S HA -0.213 4.257 4.470 -0.000 0.000 0.229 974 S C 1.883 176.503 174.600 0.032 0.000 1.021 974 S CA 1.133 59.358 58.200 0.042 0.000 0.974 974 S CB -0.524 62.686 63.200 0.017 0.000 0.800 974 S HN 0.505 nan 8.310 nan 0.000 0.484 975 Q N 1.059 120.869 119.800 0.017 0.000 2.331 975 Q HA 0.306 4.645 4.340 -0.000 0.000 0.203 975 Q C 1.913 177.917 176.000 0.007 0.000 0.944 975 Q CA 0.830 56.638 55.803 0.009 0.000 0.892 975 Q CB -0.364 28.377 28.738 0.005 0.000 0.983 975 Q HN 0.599 nan 8.270 nan 0.000 0.482 976 A N 0.565 123.392 122.820 0.011 0.000 2.218 976 A HA 0.255 4.575 4.320 -0.000 0.000 0.209 976 A C 0.662 178.244 177.584 -0.003 0.000 1.168 976 A CA 0.030 52.070 52.037 0.005 0.000 0.804 976 A CB 0.350 19.354 19.000 0.007 0.000 0.834 976 A HN 0.367 nan 8.150 nan 0.000 0.482 977 L N 0.303 121.527 121.223 0.003 0.000 2.514 977 L HA 0.364 4.703 4.340 -0.000 0.000 0.257 977 L C -0.332 176.518 176.870 -0.034 0.000 1.101 977 L CA -0.224 54.597 54.840 -0.031 0.000 0.911 977 L CB 0.917 42.980 42.059 0.006 0.000 1.162 977 L HN 0.127 nan 8.230 nan 0.000 0.477 978 R N 2.431 122.855 120.500 -0.126 0.000 2.490 978 R HA 0.470 4.809 4.340 -0.000 0.000 0.278 978 R C -1.168 174.874 176.300 -0.430 0.000 1.069 978 R CA -0.122 55.860 56.100 -0.197 0.000 1.080 978 R CB 0.912 31.045 30.300 -0.279 0.000 1.030 978 R HN 0.369 nan 8.270 nan 0.000 0.491 979 F N 1.914 121.604 119.950 -0.434 0.000 2.492 979 F HA 0.408 4.935 4.527 -0.001 0.000 0.327 979 F C -0.454 175.053 175.800 -0.488 0.000 1.079 979 F CA -0.731 57.047 58.000 -0.370 0.000 0.967 979 F CB 1.328 40.244 39.000 -0.141 0.000 1.169 979 F HN 0.365 nan 8.300 nan 0.000 0.472 980 Y N 1.065 121.467 120.300 0.169 0.000 2.536 980 Y HA 0.525 5.074 4.550 -0.000 0.000 0.347 980 Y C -2.295 173.665 175.900 0.101 0.000 1.000 980 Y CA -2.733 55.428 58.100 0.100 0.000 1.051 980 Y CB 0.716 39.204 38.460 0.047 0.000 1.259 980 Y HN 0.309 nan 8.280 nan 0.000 0.468 981 P HA 0.141 nan 4.420 nan 0.000 0.279 981 P C 0.519 177.893 177.300 0.123 0.000 1.239 981 P CA -0.326 62.862 63.100 0.147 0.000 0.789 981 P CB 1.472 33.234 31.700 0.102 0.000 0.933 982 T N 0.942 115.553 114.554 0.094 0.000 2.594 982 T HA -0.252 4.098 4.350 -0.000 0.000 0.266 982 T C 0.619 175.347 174.700 0.046 0.000 1.070 982 T CA 1.523 63.663 62.100 0.065 0.000 1.166 982 T CB -0.687 68.212 68.868 0.052 0.000 0.862 982 T HN 0.568 nan 8.240 nan 0.000 0.436 1092 T N -0.012 114.410 114.554 -0.221 0.000 2.658 1092 T HA 0.833 5.182 4.350 -0.000 0.000 0.306 1092 T C -1.942 172.682 174.700 -0.127 0.000 1.544 1092 T CA 0.062 62.015 62.100 -0.245 0.000 0.991 1092 T CB 0.998 69.545 68.868 -0.534 0.000 1.774 1092 T HN 1.037 nan 8.240 nan 0.000 0.479 1093 V N -1.998 117.883 119.914 -0.054 0.000 2.681 1093 V HA 0.666 4.786 4.120 -0.000 0.000 0.290 1093 V C 0.193 176.338 176.094 0.086 0.000 1.891 1093 V CA -0.095 62.239 62.300 0.057 0.000 0.851 1093 V CB 0.166 32.018 31.823 0.047 0.000 1.324 1093 V HN 1.597 nan 8.190 nan 0.000 0.355 1094 A N -0.703 122.182 122.820 0.110 0.000 1.993 1094 A HA 0.323 4.643 4.320 -0.000 0.000 0.202 1094 A C 1.244 178.928 177.584 0.167 0.000 1.461 1094 A CA 1.334 53.447 52.037 0.127 0.000 0.824 1094 A CB -0.692 18.358 19.000 0.084 0.000 1.024 1094 A HN 1.192 nan 8.150 nan 0.000 0.507 1095 D N -0.240 120.238 120.400 0.129 0.000 2.286 1095 D HA -0.304 4.336 4.640 -0.000 0.000 0.195 1095 D C 1.268 177.652 176.300 0.140 0.000 1.012 1095 D CA 1.741 55.808 54.000 0.112 0.000 0.901 1095 D CB -0.569 40.286 40.800 0.091 0.000 0.903 1095 D HN 0.729 nan 8.370 nan 0.000 0.451 1096 W N 1.000 122.309 121.300 0.016 0.000 2.305 1096 W HA -0.204 4.455 4.660 -0.001 0.000 0.308 1096 W C 1.899 178.428 176.519 0.017 0.000 1.226 1096 W CA 1.400 58.754 57.345 0.015 0.000 1.253 1096 W CB -0.415 29.052 29.460 0.012 0.000 1.146 1096 W HN 0.026 nan 8.180 nan 0.000 0.507 1097 L N 0.102 121.487 121.223 0.270 0.000 2.056 1097 L HA -0.249 4.091 4.340 -0.000 0.000 0.207 1097 L C 2.635 179.491 176.870 -0.023 0.000 1.078 1097 L CA 1.805 56.709 54.840 0.106 0.000 0.749 1097 L CB -0.855 41.334 42.059 0.216 0.000 0.901 1097 L HN -0.107 nan 8.230 nan 0.000 0.433 1098 S N -0.843 114.864 115.700 0.011 0.000 2.402 1098 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 1098 S C 1.797 176.367 174.600 -0.050 0.000 1.021 1098 S CA 1.134 59.331 58.200 -0.004 0.000 0.974 1098 S CB -0.203 63.010 63.200 0.022 0.000 0.800 1098 S HN 0.332 nan 8.310 nan 0.000 0.484 1099 E N 1.955 122.093 120.200 -0.103 0.000 2.106 1099 E HA 0.042 4.392 4.350 -0.000 0.000 0.192 1099 E C 2.002 178.470 176.600 -0.220 0.000 0.984 1099 E CA 1.083 57.393 56.400 -0.151 0.000 0.806 1099 E CB -0.462 29.127 29.700 -0.186 0.000 0.750 1099 E HN 0.474 nan 8.360 nan 0.000 0.458 1100 A N 0.387 123.005 122.820 -0.336 0.000 2.014 1100 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 1100 A C 1.864 179.351 177.584 -0.162 0.000 1.163 1100 A CA 0.840 52.674 52.037 -0.338 0.000 0.652 1100 A CB -0.264 18.431 19.000 -0.509 0.000 0.808 1100 A HN 0.031 nan 8.150 nan 0.000 0.449 1101 R N 0.158 120.601 120.500 -0.095 0.000 2.339 1101 R HA 0.024 4.364 4.340 -0.000 0.000 0.199 1101 R C 1.363 177.686 176.300 0.038 0.000 1.018 1101 R CA 0.524 56.616 56.100 -0.014 0.000 1.036 1101 R CB -0.312 29.994 30.300 0.010 0.000 0.899 1101 R HN 0.600 nan 8.270 nan 0.000 0.473 1102 K N 0.857 121.260 120.400 0.004 0.000 2.002 1102 K HA -0.062 4.258 4.320 -0.000 0.000 0.209 1102 K C -1.195 175.417 176.600 0.021 0.000 1.048 1102 K CA 0.888 57.201 56.287 0.043 0.000 0.930 1102 K CB -0.897 31.595 32.500 -0.013 0.000 0.714 1102 K HN 0.155 nan 8.250 nan 0.000 0.438 1103 P HA -0.006 nan 4.420 nan 0.000 0.263 1103 P C -0.910 176.294 177.300 -0.160 0.000 1.601 1103 P CA -0.076 62.901 63.100 -0.205 0.000 1.161 1103 P CB -0.956 30.651 31.700 -0.153 0.000 1.730 1104 F N 0.652 120.589 119.950 -0.023 0.000 2.506 1104 F HA 0.249 4.776 4.527 -0.000 0.000 0.371 1104 F C 0.446 176.235 175.800 -0.018 0.000 1.078 1104 F CA -1.061 56.928 58.000 -0.018 0.000 1.195 1104 F CB 0.182 39.174 39.000 -0.013 0.000 1.099 1104 F HN -0.094 nan 8.300 nan 0.000 0.548 1105 V N 5.488 125.485 119.914 0.139 0.000 2.812 1105 V HA 0.149 4.269 4.120 -0.000 0.000 0.344 1105 V C -0.030 176.124 176.094 0.101 0.000 1.244 1105 V CA -0.447 61.901 62.300 0.079 0.000 1.447 1105 V CB -0.013 31.830 31.823 0.035 0.000 1.534 1105 V HN 0.708 nan 8.190 nan 0.000 0.590 1106 V N 2.913 122.918 119.914 0.152 0.000 2.333 1106 V HA 0.648 4.768 4.120 -0.000 0.000 0.274 1106 V C -0.098 176.030 176.094 0.057 0.000 1.028 1106 V CA -0.214 62.140 62.300 0.091 0.000 0.851 1106 V CB 1.370 33.233 31.823 0.066 0.000 1.000 1106 V HN 0.449 nan 8.190 nan 0.000 0.456 1107 V N 1.886 121.820 119.914 0.033 0.000 3.258 1107 V HA 0.702 4.822 4.120 -0.000 0.000 0.299 1107 V C 0.086 176.188 176.094 0.013 0.000 1.376 1107 V CA -0.750 61.559 62.300 0.015 0.000 1.063 1107 V CB 1.494 33.313 31.823 -0.006 0.000 1.103 1107 V HN 0.730 nan 8.190 nan 0.000 0.451 1108 S N 0.292 115.999 115.700 0.011 0.000 2.592 1108 S HA 0.279 4.749 4.470 -0.000 0.000 0.256 1108 S C 0.770 175.385 174.600 0.025 0.000 1.369 1108 S CA 0.344 58.556 58.200 0.021 0.000 0.984 1108 S CB 0.261 63.477 63.200 0.027 0.000 0.919 1108 S HN 0.816 nan 8.310 nan 0.000 0.576 1109 L N 0.733 121.977 121.223 0.035 0.000 2.068 1109 L HA 0.139 4.479 4.340 -0.000 0.000 0.204 1109 L C 1.136 178.039 176.870 0.054 0.000 1.076 1109 L CA 1.362 56.224 54.840 0.037 0.000 0.753 1109 L CB -0.588 41.491 42.059 0.034 0.000 0.910 1109 L HN 0.758 nan 8.230 nan 0.000 0.439 1110 E N 0.275 120.528 120.200 0.088 0.000 1.936 1110 E HA 0.373 4.723 4.350 -0.000 0.000 0.267 1110 E C -0.326 176.423 176.600 0.249 0.000 1.076 1110 E CA -0.028 56.476 56.400 0.173 0.000 0.870 1110 E CB 0.184 29.969 29.700 0.142 0.000 1.093 1110 E HN 0.156 nan 8.360 nan 0.000 0.411 1111 S N 2.845 118.633 115.700 0.146 0.000 2.467 1111 S HA 0.095 4.565 4.470 -0.000 0.000 0.320 1111 S C -1.246 173.105 174.600 -0.416 0.000 0.940 1111 S CA -0.953 57.157 58.200 -0.151 0.000 0.896 1111 S CB 0.918 64.094 63.200 -0.040 0.000 1.172 1111 S HN 0.539 nan 8.310 nan 0.000 0.450 1112 D N 2.252 122.091 120.400 -0.934 0.000 2.898 1112 D HA 0.766 5.405 4.640 -0.000 0.000 0.266 1112 D C -0.517 175.497 176.300 -0.478 0.000 1.173 1112 D CA -0.617 53.074 54.000 -0.514 0.000 1.078 1112 D CB 1.524 42.166 40.800 -0.263 0.000 1.326 1112 D HN 0.539 nan 8.370 nan 0.000 0.622 1113 S N -1.295 114.249 115.700 -0.260 0.000 2.615 1113 S HA 0.453 4.923 4.470 -0.000 0.000 0.269 1113 S C -0.950 173.595 174.600 -0.093 0.000 1.161 1113 S CA -0.686 57.403 58.200 -0.185 0.000 0.817 1113 S CB 1.144 64.242 63.200 -0.169 0.000 1.131 1113 S HN 0.395 nan 8.310 nan 0.000 0.467 1114 L N 2.188 123.369 121.223 -0.071 0.000 2.375 1114 L HA 0.422 4.762 4.340 -0.000 0.000 0.271 1114 L C 0.763 177.614 176.870 -0.031 0.000 1.107 1114 L CA -0.615 54.207 54.840 -0.030 0.000 0.806 1114 L CB 1.133 43.185 42.059 -0.013 0.000 1.146 1114 L HN 0.824 nan 8.230 nan 0.000 0.447 1115 T N -1.363 113.183 114.554 -0.014 0.000 2.902 1115 T HA 0.022 4.372 4.350 -0.000 0.000 0.301 1115 T C 1.032 175.725 174.700 -0.012 0.000 1.012 1115 T CA -0.512 61.579 62.100 -0.015 0.000 1.151 1115 T CB 0.780 69.644 68.868 -0.007 0.000 0.946 1115 T HN 0.697 nan 8.240 nan 0.000 0.542 1116 K N 2.504 122.893 120.400 -0.018 0.000 2.206 1116 K HA -0.331 3.989 4.320 -0.000 0.000 0.211 1116 K C 2.296 178.898 176.600 0.003 0.000 1.047 1116 K CA 1.985 58.267 56.287 -0.007 0.000 0.933 1116 K CB -0.842 31.648 32.500 -0.017 0.000 0.721 1116 K HN 0.851 nan 8.250 nan 0.000 0.471 1117 A N 0.230 123.050 122.820 -0.000 0.000 1.845 1117 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 1117 A C 2.181 179.771 177.584 0.010 0.000 1.195 1117 A CA 2.256 54.296 52.037 0.004 0.000 0.616 1117 A CB -0.961 18.040 19.000 0.002 0.000 0.832 1117 A HN 0.411 nan 8.150 nan 0.000 0.443 1118 S N -0.731 114.974 115.700 0.009 0.000 2.372 1118 S HA -0.302 4.168 4.470 -0.000 0.000 0.227 1118 S C 1.989 176.600 174.600 0.019 0.000 1.044 1118 S CA 2.116 60.323 58.200 0.012 0.000 1.050 1118 S CB -0.471 62.735 63.200 0.010 0.000 0.901 1118 S HN 0.506 nan 8.310 nan 0.000 0.447 1119 M N 1.595 121.209 119.600 0.023 0.000 2.110 1119 M HA -0.221 4.259 4.480 -0.000 0.000 0.257 1119 M C 2.244 178.570 176.300 0.044 0.000 1.071 1119 M CA 1.980 57.306 55.300 0.043 0.000 1.096 1119 M CB -0.675 31.958 32.600 0.056 0.000 1.300 1119 M HN 0.350 nan 8.290 nan 0.000 0.411 1120 A N -0.592 122.249 122.820 0.034 0.000 1.883 1120 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 1120 A C 2.311 179.910 177.584 0.025 0.000 1.186 1120 A CA 2.214 54.268 52.037 0.029 0.000 0.624 1120 A CB -1.453 17.560 19.000 0.021 0.000 0.822 1120 A HN 0.634 nan 8.150 nan 0.000 0.444 1121 A N -0.566 122.266 122.820 0.021 0.000 1.883 1121 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 1121 A C 2.253 179.849 177.584 0.021 0.000 1.186 1121 A CA 1.996 54.044 52.037 0.020 0.000 0.624 1121 A CB -1.121 17.889 19.000 0.017 0.000 0.822 1121 A HN 0.450 nan 8.150 nan 0.000 0.444 1122 V N 0.006 119.933 119.914 0.021 0.000 2.332 1122 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 1122 V C 2.550 178.657 176.094 0.022 0.000 1.055 1122 V CA 2.453 64.763 62.300 0.018 0.000 1.038 1122 V CB -0.736 31.098 31.823 0.018 0.000 0.651 1122 V HN 0.785 nan 8.190 nan 0.000 0.450 1123 E N 0.061 120.279 120.200 0.030 0.000 2.051 1123 E HA -0.208 4.141 4.350 -0.000 0.000 0.192 1123 E C 2.325 178.944 176.600 0.031 0.000 0.991 1123 E CA 1.736 58.154 56.400 0.030 0.000 0.799 1123 E CB -0.090 29.627 29.700 0.028 0.000 0.748 1123 E HN 0.632 nan 8.360 nan 0.000 0.449 1124 S N 0.578 116.296 115.700 0.029 0.000 2.356 1124 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 1124 S C 1.875 176.501 174.600 0.043 0.000 1.032 1124 S CA 1.351 59.570 58.200 0.032 0.000 1.005 1124 S CB -0.329 62.887 63.200 0.026 0.000 0.867 1124 S HN 0.256 nan 8.310 nan 0.000 0.449 1125 E N 1.009 121.234 120.200 0.041 0.000 2.160 1125 E HA -0.106 4.243 4.350 -0.000 0.000 0.195 1125 E C 1.765 178.413 176.600 0.081 0.000 0.991 1125 E CA 0.820 57.252 56.400 0.054 0.000 0.810 1125 E CB -0.203 29.520 29.700 0.038 0.000 0.742 1125 E HN 0.312 nan 8.360 nan 0.000 0.466 1126 I N 0.448 121.054 120.570 0.061 0.000 2.163 1126 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 1126 I C 2.302 178.499 176.117 0.132 0.000 1.081 1126 I CA 1.083 62.433 61.300 0.084 0.000 1.353 1126 I CB -1.012 37.012 38.000 0.040 0.000 1.054 1126 I HN 0.212 nan 8.210 nan 0.000 0.407 1127 I N 1.369 121.989 120.570 0.085 0.000 2.236 1127 I HA -0.376 3.793 4.170 -0.000 0.000 0.249 1127 I C 2.498 178.661 176.117 0.076 0.000 1.102 1127 I CA 1.785 63.127 61.300 0.071 0.000 1.365 1127 I CB -0.398 37.628 38.000 0.044 0.000 1.051 1127 I HN 0.371 nan 8.210 nan 0.000 0.420 1128 K N 0.025 120.475 120.400 0.084 0.000 2.186 1128 K HA -0.185 4.134 4.320 -0.000 0.000 0.202 1128 K C 2.256 178.908 176.600 0.086 0.000 1.052 1128 K CA 1.078 57.407 56.287 0.070 0.000 0.965 1128 K CB -0.745 31.790 32.500 0.058 0.000 0.746 1128 K HN 0.264 nan 8.250 nan 0.000 0.457 1129 Y N 1.883 122.194 120.300 0.018 0.000 2.181 1129 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 1129 Y C 1.949 177.862 175.900 0.022 0.000 1.146 1129 Y CA 1.168 59.281 58.100 0.021 0.000 1.164 1129 Y CB -0.086 38.389 38.460 0.024 0.000 0.982 1129 Y HN -0.062 nan 8.280 nan 0.000 0.515 1130 V N 0.822 120.850 119.914 0.190 0.000 3.623 1130 V HA -0.037 4.082 4.120 -0.000 0.000 0.274 1130 V C 1.273 177.363 176.094 -0.007 0.000 1.244 1130 V CA 1.497 63.865 62.300 0.113 0.000 1.182 1130 V CB -0.865 31.069 31.823 0.184 0.000 0.925 1130 V HN 0.660 nan 8.190 nan 0.000 0.462 1131 S N -1.461 114.211 115.700 -0.047 0.000 2.733 1131 S HA 0.362 4.831 4.470 -0.000 0.000 0.247 1131 S C 0.305 174.862 174.600 -0.072 0.000 1.043 1131 S CA -0.405 57.770 58.200 -0.042 0.000 1.066 1131 S CB -0.159 63.034 63.200 -0.011 0.000 1.045 1131 S HN 0.354 nan 8.310 nan 0.000 0.586 1132 L N 3.041 124.184 121.223 -0.134 0.000 2.456 1132 L HA 0.363 4.703 4.340 -0.000 0.000 0.272 1132 L C -2.050 174.744 176.870 -0.126 0.000 1.189 1132 L CA -1.790 52.967 54.840 -0.138 0.000 0.846 1132 L CB -0.473 41.465 42.059 -0.200 0.000 1.111 1132 L HN 0.077 nan 8.230 nan 0.000 0.475 1133 P HA 0.004 nan 4.420 nan 0.000 0.264 1133 P C -0.986 176.267 177.300 -0.078 0.000 1.173 1133 P CA 0.356 63.419 63.100 -0.062 0.000 0.761 1133 P CB 0.561 32.236 31.700 -0.041 0.000 0.794 1134 D N -0.358 120.009 120.400 -0.056 0.000 2.706 1134 D HA 0.427 5.066 4.640 -0.000 0.000 0.227 1134 D C -1.423 174.864 176.300 -0.021 0.000 1.233 1134 D CA -0.288 53.683 54.000 -0.049 0.000 0.768 1134 D CB 1.246 42.001 40.800 -0.075 0.000 1.490 1134 D HN 0.331 nan 8.370 nan 0.000 0.458 1135 S N 0.389 116.084 115.700 -0.010 0.000 2.627 1135 S HA 0.872 5.342 4.470 -0.000 0.000 0.283 1135 S C -0.267 174.336 174.600 0.006 0.000 1.127 1135 S CA -0.563 57.638 58.200 0.001 0.000 0.863 1135 S CB 1.330 64.532 63.200 0.004 0.000 1.121 1135 S HN 0.565 nan 8.310 nan 0.000 0.479 1136 S N -0.153 115.553 115.700 0.009 0.000 2.690 1136 S HA 0.802 5.272 4.470 -0.000 0.000 0.285 1136 S C -0.404 174.206 174.600 0.017 0.000 1.135 1136 S CA -0.486 57.719 58.200 0.008 0.000 1.020 1136 S CB 0.741 63.946 63.200 0.007 0.000 1.159 1136 S HN 1.181 nan 8.310 nan 0.000 0.534 1137 E N -0.652 119.563 120.200 0.025 0.000 2.649 1137 E HA 0.204 4.553 4.350 -0.000 0.000 0.308 1137 E C -1.781 174.863 176.600 0.074 0.000 1.017 1137 E CA -0.506 55.926 56.400 0.053 0.000 0.848 1137 E CB 0.828 30.576 29.700 0.080 0.000 1.240 1137 E HN 0.759 nan 8.360 nan 0.000 0.421 1138 Q N 2.503 122.337 119.800 0.056 0.000 2.240 1138 Q HA 0.586 4.926 4.340 -0.000 0.000 0.260 1138 Q C -0.927 175.084 176.000 0.019 0.000 1.018 1138 Q CA -1.136 54.692 55.803 0.041 0.000 0.898 1138 Q CB 2.273 31.010 28.738 -0.002 0.000 1.301 1138 Q HN 0.356 nan 8.270 nan 0.000 0.469 1139 K N 1.163 121.535 120.400 -0.047 0.000 2.606 1139 K HA 0.162 4.482 4.320 -0.000 0.000 0.259 1139 K C -1.417 175.079 176.600 -0.173 0.000 1.001 1139 K CA -0.391 55.804 56.287 -0.153 0.000 0.881 1139 K CB 1.412 33.694 32.500 -0.364 0.000 1.288 1139 K HN 0.416 nan 8.250 nan 0.000 0.452 1140 K N 4.143 124.459 120.400 -0.140 0.000 2.436 1140 K HA 0.141 4.461 4.320 -0.000 0.000 0.282 1140 K C -0.288 176.213 176.600 -0.165 0.000 1.044 1140 K CA 0.194 56.401 56.287 -0.134 0.000 1.028 1140 K CB 0.398 32.840 32.500 -0.098 0.000 0.919 1140 K HN 0.462 nan 8.250 nan 0.000 0.474 1141 L N 2.000 123.117 121.223 -0.178 0.000 2.333 1141 L HA 0.653 4.992 4.340 -0.000 0.000 0.269 1141 L C -0.587 176.209 176.870 -0.123 0.000 1.010 1141 L CA -0.462 54.273 54.840 -0.176 0.000 0.818 1141 L CB 1.936 43.850 42.059 -0.242 0.000 1.306 1141 L HN 0.736 nan 8.230 nan 0.000 0.430 1142 A N 1.351 124.116 122.820 -0.091 0.000 2.609 1142 A HA 0.573 4.893 4.320 -0.000 0.000 0.291 1142 A C -0.561 176.998 177.584 -0.041 0.000 1.096 1142 A CA -0.492 51.507 52.037 -0.064 0.000 0.684 1142 A CB 1.628 20.594 19.000 -0.057 0.000 1.282 1142 A HN 0.617 nan 8.150 nan 0.000 0.412 1143 K N -0.794 119.590 120.400 -0.027 0.000 3.160 1143 K HA -0.122 4.197 4.320 -0.000 0.000 0.280 1143 K C -0.232 176.358 176.600 -0.017 0.000 1.154 1143 K CA 0.961 57.239 56.287 -0.015 0.000 0.822 1143 K CB -2.187 30.305 32.500 -0.013 0.000 1.239 1143 K HN 0.760 nan 8.250 nan 0.000 0.489 1144 V N 1.934 121.838 119.914 -0.017 0.000 2.508 1144 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 1144 V C -1.421 174.656 176.094 -0.027 0.000 1.041 1144 V CA -1.138 61.156 62.300 -0.011 0.000 1.016 1144 V CB 0.744 32.582 31.823 0.025 0.000 0.984 1144 V HN 0.067 nan 8.190 nan 0.000 0.478 1145 P HA 0.320 nan 4.420 nan 0.000 0.276 1145 P C 0.466 177.726 177.300 -0.067 0.000 1.244 1145 P CA -0.608 62.464 63.100 -0.047 0.000 0.801 1145 P CB 1.046 32.711 31.700 -0.058 0.000 1.006 1146 R N 0.792 121.263 120.500 -0.049 0.000 2.193 1146 R HA -0.104 4.236 4.340 -0.000 0.000 0.229 1146 R C 1.295 177.537 176.300 -0.096 0.000 1.110 1146 R CA 1.117 57.161 56.100 -0.093 0.000 0.988 1146 R CB -0.036 30.291 30.300 0.045 0.000 0.871 1146 R HN 0.594 nan 8.270 nan 0.000 0.458 1147 E N -0.612 119.554 120.200 -0.056 0.000 2.368 1147 E HA 0.058 4.408 4.350 -0.000 0.000 0.188 1147 E C 0.447 176.996 176.600 -0.084 0.000 1.061 1147 E CA 0.215 56.589 56.400 -0.044 0.000 0.933 1147 E CB 0.828 30.518 29.700 -0.017 0.000 1.091 1147 E HN 0.220 nan 8.360 nan 0.000 0.458 1148 A N 0.536 123.281 122.820 -0.125 0.000 2.348 1148 A HA 0.334 4.654 4.320 -0.000 0.000 0.224 1148 A C 0.489 177.965 177.584 -0.180 0.000 1.227 1148 A CA -0.124 51.795 52.037 -0.197 0.000 0.885 1148 A CB 0.245 19.129 19.000 -0.194 0.000 0.933 1148 A HN 0.174 nan 8.150 nan 0.000 0.506 1149 I N 0.713 121.213 120.570 -0.116 0.000 2.608 1149 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 1149 I C -1.162 174.935 176.117 -0.033 0.000 1.049 1149 I CA -0.892 60.357 61.300 -0.085 0.000 1.063 1149 I CB 2.255 40.113 38.000 -0.236 0.000 1.248 1149 I HN 0.234 nan 8.210 nan 0.000 0.424 1150 L N 4.345 125.604 121.223 0.060 0.000 2.424 1150 L HA 0.679 5.019 4.340 -0.000 0.000 0.258 1150 L C -1.200 175.793 176.870 0.205 0.000 0.995 1150 L CA -0.830 54.111 54.840 0.168 0.000 0.821 1150 L CB 1.510 43.640 42.059 0.118 0.000 1.383 1150 L HN 0.319 nan 8.230 nan 0.000 0.410 1151 N N 1.594 120.445 118.700 0.250 0.000 2.439 1151 N HA 0.393 5.133 4.740 -0.000 0.000 0.243 1151 N C 0.931 176.469 175.510 0.047 0.000 1.088 1151 N CA 0.477 53.613 53.050 0.144 0.000 0.940 1151 N CB 1.802 40.349 38.487 0.101 0.000 1.180 1151 N HN 0.962 nan 8.380 nan 0.000 0.505 1152 A N 2.322 125.160 122.820 0.029 0.000 1.933 1152 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 1152 A C 1.998 179.539 177.584 -0.072 0.000 1.175 1152 A CA 1.047 53.080 52.037 -0.007 0.000 0.628 1152 A CB -0.206 18.790 19.000 -0.006 0.000 0.814 1152 A HN 0.521 nan 8.150 nan 0.000 0.444 1153 E N 0.938 121.084 120.200 -0.089 0.000 2.095 1153 E HA -0.204 4.146 4.350 -0.000 0.000 0.212 1153 E C 1.509 177.852 176.600 -0.429 0.000 1.044 1153 E CA 1.914 58.205 56.400 -0.182 0.000 0.857 1153 E CB -0.359 29.259 29.700 -0.135 0.000 0.764 1153 E HN 0.662 nan 8.360 nan 0.000 0.462 1154 S N -1.293 114.207 115.700 -0.334 0.000 2.499 1154 S HA 0.418 4.888 4.470 -0.000 0.000 0.238 1154 S C -0.186 174.255 174.600 -0.265 0.000 1.205 1154 S CA -0.331 57.616 58.200 -0.422 0.000 1.203 1154 S CB 0.419 63.390 63.200 -0.383 0.000 0.954 1154 S HN -0.003 nan 8.310 nan 0.000 0.484 1155 S N 0.307 115.867 115.700 -0.233 0.000 3.041 1155 S HA 0.289 4.758 4.470 -0.000 0.000 0.250 1155 S C 0.413 175.038 174.600 0.042 0.000 0.898 1155 S CA -0.654 57.527 58.200 -0.031 0.000 1.100 1155 S CB -0.525 62.700 63.200 0.043 0.000 1.149 1155 S HN 0.621 nan 8.310 nan 0.000 0.540 1156 Y N 0.984 121.244 120.300 -0.066 0.000 2.114 1156 Y HA -0.260 4.289 4.550 -0.000 0.000 0.282 1156 Y C 2.511 178.393 175.900 -0.030 0.000 1.165 1156 Y CA 1.090 59.139 58.100 -0.086 0.000 1.148 1156 Y CB -0.361 38.034 38.460 -0.108 0.000 0.972 1156 Y HN 0.220 nan 8.280 nan 0.000 0.504 1157 V N -0.208 119.801 119.914 0.159 0.000 2.270 1157 V HA -0.312 3.808 4.120 -0.000 0.000 0.245 1157 V C 2.243 178.391 176.094 0.090 0.000 1.043 1157 V CA 1.554 63.919 62.300 0.107 0.000 1.014 1157 V CB -0.928 30.946 31.823 0.086 0.000 0.645 1157 V HN 0.296 nan 8.190 nan 0.000 0.447 1158 L N -0.118 121.157 121.223 0.088 0.000 1.971 1158 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 1158 L C 2.305 179.217 176.870 0.071 0.000 1.072 1158 L CA 2.008 56.891 54.840 0.071 0.000 0.758 1158 L CB -0.678 41.423 42.059 0.070 0.000 0.889 1158 L HN 0.208 nan 8.230 nan 0.000 0.433 1159 L N -0.875 120.398 121.223 0.085 0.000 2.043 1159 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 1159 L C 2.725 179.673 176.870 0.129 0.000 1.075 1159 L CA 1.562 56.461 54.840 0.098 0.000 0.752 1159 L CB -0.585 41.533 42.059 0.097 0.000 0.891 1159 L HN 0.284 nan 8.230 nan 0.000 0.432 1160 R N -0.276 120.291 120.500 0.112 0.000 2.189 1160 R HA -0.092 4.248 4.340 -0.000 0.000 0.223 1160 R C 2.257 178.620 176.300 0.106 0.000 1.092 1160 R CA 1.364 57.534 56.100 0.116 0.000 0.989 1160 R CB -0.331 30.015 30.300 0.078 0.000 0.876 1160 R HN 0.478 nan 8.270 nan 0.000 0.457 1161 S N 0.287 116.029 115.700 0.071 0.000 2.660 1161 S HA -0.019 4.451 4.470 -0.000 0.000 0.223 1161 S C 0.420 175.019 174.600 -0.001 0.000 0.963 1161 S CA -0.072 58.150 58.200 0.037 0.000 0.932 1161 S CB 0.022 63.240 63.200 0.030 0.000 0.775 1161 S HN 0.227 nan 8.310 nan 0.000 0.531 1162 Q N 1.816 121.606 119.800 -0.016 0.000 2.279 1162 Q HA 0.352 4.691 4.340 -0.000 0.000 0.256 1162 Q C -0.295 175.543 176.000 -0.270 0.000 0.937 1162 Q CA -0.551 55.139 55.803 -0.190 0.000 0.933 1162 Q CB 0.963 29.473 28.738 -0.379 0.000 1.189 1162 Q HN 0.389 nan 8.270 nan 0.000 0.417 1163 R N 1.701 122.022 120.500 -0.298 0.000 2.619 1163 R HA 0.053 4.393 4.340 -0.000 0.000 0.268 1163 R C -0.747 175.129 176.300 -0.707 0.000 0.990 1163 R CA 0.723 56.583 56.100 -0.400 0.000 1.092 1163 R CB 0.184 30.259 30.300 -0.374 0.000 0.935 1163 R HN 0.419 nan 8.270 nan 0.000 0.415 1164 F N 1.286 120.933 119.950 -0.505 0.000 2.547 1164 F HA 0.341 4.868 4.527 -0.000 0.000 0.316 1164 F C 0.376 175.797 175.800 -0.631 0.000 1.121 1164 F CA -0.820 56.914 58.000 -0.444 0.000 0.911 1164 F CB 1.589 40.452 39.000 -0.228 0.000 1.179 1164 F HN 0.372 nan 8.300 nan 0.000 0.443 1165 H N 2.723 121.836 119.070 0.071 0.000 2.670 1165 H HA 0.449 5.005 4.556 -0.001 0.000 0.361 1165 H C -0.305 175.115 175.328 0.154 0.000 1.169 1165 H CA -1.041 55.050 56.048 0.072 0.000 1.198 1165 H CB 1.961 31.739 29.762 0.027 0.000 1.700 1165 H HN 0.441 nan 8.280 nan 0.000 0.542 1166 L N 1.074 122.499 121.223 0.336 0.000 2.601 1166 L HA 0.002 4.341 4.340 -0.000 0.000 0.277 1166 L C 1.388 178.344 176.870 0.143 0.000 1.219 1166 L CA 1.294 56.258 54.840 0.207 0.000 0.915 1166 L CB -0.146 42.004 42.059 0.152 0.000 1.160 1166 L HN 1.140 nan 8.230 nan 0.000 0.494 1167 G N 1.870 110.730 108.800 0.101 0.000 2.254 1167 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.225 1167 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.225 1167 G C 0.155 175.093 174.900 0.062 0.000 1.003 1167 G CA -0.299 44.840 45.100 0.065 0.000 0.622 1167 G HN 0.602 nan 8.290 nan 0.000 0.507 1168 D N 1.892 122.352 120.400 0.099 0.000 2.533 1168 D HA 0.284 4.923 4.640 -0.000 0.000 0.236 1168 D C 1.081 177.423 176.300 0.069 0.000 1.137 1168 D CA 0.242 54.297 54.000 0.091 0.000 0.867 1168 D CB 0.441 41.314 40.800 0.121 0.000 1.170 1168 D HN 0.169 nan 8.370 nan 0.000 0.474 1169 R N 1.420 121.949 120.500 0.048 0.000 2.491 1169 R HA 0.305 4.645 4.340 -0.000 0.000 0.283 1169 R C -0.131 176.213 176.300 0.074 0.000 1.072 1169 R CA -0.345 55.776 56.100 0.034 0.000 1.048 1169 R CB 0.522 30.836 30.300 0.023 0.000 0.983 1169 R HN 0.284 nan 8.270 nan 0.000 0.450 1170 V N -0.345 119.605 119.914 0.060 0.000 3.130 1170 V HA 0.647 4.766 4.120 -0.000 0.000 0.310 1170 V C -0.386 175.784 176.094 0.126 0.000 1.158 1170 V CA -1.174 61.194 62.300 0.115 0.000 1.029 1170 V CB 2.712 34.623 31.823 0.147 0.000 1.057 1170 V HN 0.700 nan 8.190 nan 0.000 0.436 1171 M N 2.676 122.385 119.600 0.181 0.000 2.327 1171 M HA 0.524 5.004 4.480 -0.000 0.000 0.298 1171 M C -1.862 174.618 176.300 0.300 0.000 1.065 1171 M CA -0.760 54.687 55.300 0.245 0.000 0.916 1171 M CB 2.135 34.855 32.600 0.199 0.000 1.630 1171 M HN 0.987 nan 8.290 nan 0.000 0.442 1172 Y N 4.985 125.447 120.300 0.271 0.000 2.465 1172 Y HA 0.144 4.693 4.550 -0.001 0.000 0.331 1172 Y C 0.233 176.219 175.900 0.143 0.000 1.102 1172 Y CA 0.372 58.619 58.100 0.245 0.000 1.358 1172 Y CB 0.602 39.197 38.460 0.226 0.000 1.213 1172 Y HN 0.689 nan 8.280 nan 0.000 0.525 1173 I N 3.793 124.328 120.570 -0.058 0.000 4.227 1173 I HA 0.102 4.271 4.170 -0.000 0.000 0.334 1173 I C -0.164 175.901 176.117 -0.086 0.000 1.341 1173 I CA 0.331 61.609 61.300 -0.036 0.000 1.123 1173 I CB -0.173 37.816 38.000 -0.019 0.000 1.097 1173 I HN 0.583 nan 8.210 nan 0.000 0.399 1174 Q N 0.810 120.511 119.800 -0.164 0.000 2.243 1174 Q HA 0.124 4.464 4.340 -0.000 0.000 0.252 1174 Q C 0.505 176.598 176.000 0.154 0.000 0.909 1174 Q CA -0.120 55.660 55.803 -0.037 0.000 0.922 1174 Q CB 1.651 30.314 28.738 -0.124 0.000 1.215 1174 Q HN 0.021 nan 8.270 nan 0.000 0.427 1175 D N 0.574 121.025 120.400 0.084 0.000 2.378 1175 D HA -0.069 4.570 4.640 -0.000 0.000 0.222 1175 D C 0.062 176.431 176.300 0.115 0.000 0.980 1175 D CA 0.451 54.496 54.000 0.075 0.000 0.907 1175 D CB 0.576 41.397 40.800 0.036 0.000 0.899 1175 D HN 0.494 nan 8.370 nan 0.000 0.527 1176 S N -2.525 113.297 115.700 0.203 0.000 2.638 1176 S HA 0.755 5.224 4.470 -0.000 0.000 0.274 1176 S C 0.166 174.921 174.600 0.257 0.000 1.157 1176 S CA 0.026 58.362 58.200 0.228 0.000 0.826 1176 S CB 2.225 65.614 63.200 0.315 0.000 1.139 1176 S HN 0.314 nan 8.310 nan 0.000 0.474 1177 G N 1.208 109.981 108.800 -0.045 0.000 2.396 1177 G HA2 0.002 3.962 3.960 -0.000 0.000 0.254 1177 G HA3 0.002 3.962 3.960 -0.000 0.000 0.254 1177 G C -0.314 174.430 174.900 -0.260 0.000 1.248 1177 G CA -0.153 44.751 45.100 -0.327 0.000 1.033 1177 G HN 1.075 nan 8.290 nan 0.000 0.502 1178 K N -0.362 119.867 120.400 -0.285 0.000 2.387 1178 K HA 0.453 4.772 4.320 -0.000 0.000 0.198 1178 K C 0.393 176.713 176.600 -0.466 0.000 1.022 1178 K CA 0.276 56.395 56.287 -0.281 0.000 1.128 1178 K CB 1.132 33.521 32.500 -0.186 0.000 0.853 1178 K HN 0.510 nan 8.250 nan 0.000 0.523 1179 V N 3.610 123.040 119.914 -0.807 0.000 2.656 1179 V HA 0.282 4.401 4.120 -0.000 0.000 0.307 1179 V C -2.453 173.150 176.094 -0.818 0.000 1.051 1179 V CA -2.185 59.499 62.300 -1.027 0.000 0.893 1179 V CB 2.242 33.146 31.823 -1.533 0.000 0.999 1179 V HN 0.084 nan 8.190 nan 0.000 0.426 1180 P HA 0.143 nan 4.420 nan 0.000 0.271 1180 P C -0.441 176.756 177.300 -0.172 0.000 1.216 1180 P CA -0.360 62.580 63.100 -0.267 0.000 0.776 1180 P CB 0.807 32.405 31.700 -0.170 0.000 0.881 1181 L N 5.053 126.243 121.223 -0.054 0.000 2.525 1181 L HA 0.003 4.343 4.340 -0.000 0.000 0.278 1181 L C 0.918 177.812 176.870 0.039 0.000 1.218 1181 L CA 1.002 55.835 54.840 -0.012 0.000 0.878 1181 L CB -0.971 41.019 42.059 -0.116 0.000 1.127 1181 L HN 0.505 nan 8.230 nan 0.000 0.492 1182 H N 0.705 119.895 119.070 0.199 0.000 3.636 1182 H HA -0.148 4.408 4.556 -0.000 0.000 0.179 1182 H C 0.472 175.898 175.328 0.162 0.000 0.968 1182 H CA 0.680 56.824 56.048 0.159 0.000 1.220 1182 H CB -1.785 28.042 29.762 0.108 0.000 1.023 1182 H HN 0.686 nan 8.280 nan 0.000 0.366 1183 S N 2.009 117.858 115.700 0.249 0.000 2.552 1183 S HA 0.189 4.658 4.470 -0.000 0.000 0.289 1183 S C 0.922 175.745 174.600 0.371 0.000 1.304 1183 S CA 0.184 58.529 58.200 0.243 0.000 1.063 1183 S CB 1.288 64.554 63.200 0.110 0.000 0.848 1183 S HN 0.211 nan 8.310 nan 0.000 0.499 1184 K N 1.147 121.730 120.400 0.304 0.000 2.106 1184 K HA 0.762 5.081 4.320 -0.000 0.000 0.246 1184 K C 0.504 177.222 176.600 0.196 0.000 0.987 1184 K CA -0.685 55.743 56.287 0.236 0.000 0.904 1184 K CB 1.423 34.013 32.500 0.150 0.000 1.071 1184 K HN 0.701 nan 8.250 nan 0.000 0.453 1185 G N -0.254 108.537 108.800 -0.016 0.000 2.606 1185 G HA2 0.418 4.378 3.960 -0.000 0.000 0.300 1185 G HA3 0.418 4.378 3.960 -0.000 0.000 0.300 1185 G C -1.468 173.341 174.900 -0.152 0.000 1.360 1185 G CA -0.530 44.451 45.100 -0.199 0.000 0.783 1185 G HN 0.385 nan 8.290 nan 0.000 0.484 1186 T N 0.214 114.677 114.554 -0.152 0.000 2.841 1186 T HA 0.502 4.852 4.350 -0.000 0.000 0.283 1186 T C -0.088 174.574 174.700 -0.064 0.000 1.000 1186 T CA -0.354 61.702 62.100 -0.074 0.000 0.977 1186 T CB 1.883 70.723 68.868 -0.046 0.000 0.979 1186 T HN 0.460 nan 8.240 nan 0.000 0.446 1187 V N 4.200 124.111 119.914 -0.006 0.000 2.446 1187 V HA 0.042 4.162 4.120 -0.000 0.000 0.276 1187 V C 1.562 177.676 176.094 0.033 0.000 1.030 1187 V CA 0.214 62.527 62.300 0.022 0.000 1.033 1187 V CB 0.502 32.387 31.823 0.104 0.000 0.993 1187 V HN 0.887 nan 8.190 nan 0.000 0.477 1188 V N 2.201 122.122 119.914 0.011 0.000 3.471 1188 V HA 0.680 4.799 4.120 -0.000 0.000 0.258 1188 V C 0.784 176.834 176.094 -0.075 0.000 1.192 1188 V CA 0.826 63.120 62.300 -0.010 0.000 1.116 1188 V CB -0.039 31.800 31.823 0.027 0.000 0.792 1188 V HN 0.999 nan 8.190 nan 0.000 0.459 1189 G N 0.039 108.788 108.800 -0.085 0.000 2.429 1189 G HA2 0.469 4.429 3.960 -0.000 0.000 0.300 1189 G HA3 0.469 4.429 3.960 -0.000 0.000 0.300 1189 G C -1.374 173.465 174.900 -0.102 0.000 1.598 1189 G CA -0.353 44.653 45.100 -0.156 0.000 0.863 1189 G HN 0.609 nan 8.290 nan 0.000 0.614 1190 Y N -1.109 119.143 120.300 -0.080 0.000 2.453 1190 Y HA 0.883 5.433 4.550 -0.000 0.000 0.326 1190 Y C 0.118 175.978 175.900 -0.068 0.000 1.186 1190 Y CA -1.248 56.803 58.100 -0.080 0.000 1.200 1190 Y CB 2.405 40.837 38.460 -0.048 0.000 1.247 1190 Y HN 0.429 nan 8.280 nan 0.000 0.482 1191 T N 2.089 116.690 114.554 0.078 0.000 3.187 1191 T HA 0.278 4.628 4.350 -0.000 0.000 0.328 1191 T C -1.270 173.467 174.700 0.061 0.000 0.951 1191 T CA -0.925 61.188 62.100 0.021 0.000 1.049 1191 T CB 0.096 68.944 68.868 -0.034 0.000 1.015 1191 T HN 0.837 nan 8.240 nan 0.000 0.461 1192 S N 3.631 119.383 115.700 0.086 0.000 2.410 1192 S HA 0.439 4.909 4.470 -0.000 0.000 0.304 1192 S C 0.275 174.901 174.600 0.043 0.000 1.095 1192 S CA -0.764 57.478 58.200 0.070 0.000 1.089 1192 S CB -0.047 63.206 63.200 0.089 0.000 0.968 1192 S HN 0.494 nan 8.310 nan 0.000 0.480 1193 I N 4.319 124.907 120.570 0.031 0.000 2.397 1193 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 1193 I C 1.557 177.688 176.117 0.023 0.000 1.125 1193 I CA 0.685 61.998 61.300 0.022 0.000 1.961 1193 I CB -1.425 36.583 38.000 0.014 0.000 1.508 1193 I HN 1.076 nan 8.210 nan 0.000 0.886 1194 G N 3.845 112.662 108.800 0.029 0.000 5.306 1194 G HA2 -0.408 3.551 3.960 -0.000 0.000 0.318 1194 G HA3 -0.408 3.551 3.960 -0.000 0.000 0.318 1194 G C 1.295 176.215 174.900 0.034 0.000 1.413 1194 G CA 0.651 45.769 45.100 0.030 0.000 0.981 1194 G HN 0.535 nan 8.290 nan 0.000 0.788 1195 K N 1.459 121.877 120.400 0.031 0.000 2.240 1195 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 1195 K C 0.892 177.511 176.600 0.032 0.000 1.053 1195 K CA 0.655 56.962 56.287 0.032 0.000 0.973 1195 K CB -0.237 32.282 32.500 0.032 0.000 0.924 1195 K HN 0.733 nan 8.250 nan 0.000 0.477 1196 N N 1.914 120.630 118.700 0.027 0.000 2.475 1196 N HA 0.184 4.924 4.740 -0.000 0.000 0.267 1196 N C -0.855 174.671 175.510 0.027 0.000 1.169 1196 N CA -0.678 52.387 53.050 0.025 0.000 0.947 1196 N CB 1.483 39.982 38.487 0.020 0.000 1.061 1196 N HN -0.113 nan 8.380 nan 0.000 0.466 1197 V N 1.447 121.376 119.914 0.024 0.000 2.427 1197 V HA 0.367 4.486 4.120 -0.000 0.000 0.286 1197 V C 0.136 176.229 176.094 -0.002 0.000 1.034 1197 V CA -0.786 61.527 62.300 0.021 0.000 0.893 1197 V CB 1.260 33.091 31.823 0.014 0.000 0.982 1197 V HN 0.855 nan 8.190 nan 0.000 0.452 1198 S N 5.984 121.686 115.700 0.003 0.000 2.456 1198 S HA 0.596 5.066 4.470 -0.000 0.000 0.316 1198 S C -0.699 173.875 174.600 -0.042 0.000 1.089 1198 S CA -0.706 57.485 58.200 -0.015 0.000 1.101 1198 S CB 0.425 63.628 63.200 0.004 0.000 0.995 1198 S HN 0.457 nan 8.310 nan 0.000 0.468 1199 I N 4.129 124.633 120.570 -0.110 0.000 2.342 1199 I HA 0.319 4.488 4.170 -0.000 0.000 0.291 1199 I C 0.119 176.191 176.117 -0.074 0.000 1.010 1199 I CA -0.439 60.770 61.300 -0.151 0.000 1.308 1199 I CB 1.171 38.940 38.000 -0.385 0.000 1.400 1199 I HN 0.691 nan 8.210 nan 0.000 0.488 1200 Q N 4.820 124.581 119.800 -0.065 0.000 2.377 1200 Q HA 0.347 4.687 4.340 -0.000 0.000 0.249 1200 Q C -0.642 175.381 176.000 0.038 0.000 1.005 1200 Q CA -0.061 55.720 55.803 -0.036 0.000 0.912 1200 Q CB 1.190 29.746 28.738 -0.302 0.000 1.223 1200 Q HN 0.399 nan 8.270 nan 0.000 0.459 1201 V N 4.019 124.001 119.914 0.114 0.000 2.394 1201 V HA 0.291 4.411 4.120 -0.000 0.000 0.282 1201 V C -0.189 175.895 176.094 -0.018 0.000 1.031 1201 V CA -0.815 61.419 62.300 -0.110 0.000 0.881 1201 V CB 1.385 32.894 31.823 -0.524 0.000 0.982 1201 V HN 0.679 nan 8.190 nan 0.000 0.451 1202 L N 5.647 126.855 121.223 -0.025 0.000 2.278 1202 L HA 0.501 4.840 4.340 -0.000 0.000 0.287 1202 L C -0.665 176.128 176.870 -0.128 0.000 1.072 1202 L CA -0.126 54.724 54.840 0.017 0.000 0.819 1202 L CB 0.384 42.492 42.059 0.081 0.000 1.176 1202 L HN 0.476 nan 8.230 nan 0.000 0.435 1203 F N 3.057 123.007 119.950 0.000 0.000 2.370 1203 F HA 0.158 4.685 4.527 -0.001 0.000 0.324 1203 F C 1.374 177.175 175.800 0.002 0.000 1.116 1203 F CA -0.242 57.759 58.000 0.001 0.000 1.123 1203 F CB 0.939 39.922 39.000 -0.028 0.000 1.238 1203 F HN 0.539 nan 8.300 nan 0.000 0.536 1204 D N 0.125 120.668 120.400 0.238 0.000 2.084 1204 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 1204 D C 0.342 176.725 176.300 0.138 0.000 0.985 1204 D CA 1.390 55.483 54.000 0.155 0.000 0.826 1204 D CB -0.143 40.756 40.800 0.166 0.000 0.978 1204 D HN 0.320 nan 8.370 nan 0.000 0.456 1205 N N 0.960 119.738 118.700 0.130 0.000 2.458 1205 N HA 0.159 4.899 4.740 -0.000 0.000 0.271 1205 N C 0.081 175.605 175.510 0.023 0.000 1.210 1205 N CA -0.251 52.832 53.050 0.056 0.000 0.978 1205 N CB 0.781 39.279 38.487 0.017 0.000 1.206 1205 N HN 0.054 nan 8.380 nan 0.000 0.536 1206 E N 0.028 120.211 120.200 -0.028 0.000 2.392 1206 E HA 0.249 4.599 4.350 -0.000 0.000 0.259 1206 E C -0.393 176.125 176.600 -0.137 0.000 1.108 1206 E CA -0.074 56.283 56.400 -0.072 0.000 0.916 1206 E CB 0.643 30.292 29.700 -0.085 0.000 0.989 1206 E HN 0.286 nan 8.360 nan 0.000 0.432 1207 I N 3.243 123.709 120.570 -0.174 0.000 2.439 1207 I HA 0.107 4.276 4.170 -0.000 0.000 0.285 1207 I C 0.935 176.926 176.117 -0.210 0.000 1.021 1207 I CA -0.328 60.825 61.300 -0.244 0.000 1.091 1207 I CB 1.176 38.986 38.000 -0.318 0.000 1.242 1207 I HN 0.645 nan 8.210 nan 0.000 0.439 1208 I N 4.267 124.705 120.570 -0.220 0.000 2.300 1208 I HA -0.295 3.875 4.170 -0.000 0.000 0.252 1208 I C 2.253 178.315 176.117 -0.092 0.000 1.119 1208 I CA 1.848 63.037 61.300 -0.186 0.000 1.384 1208 I CB 0.051 37.954 38.000 -0.160 0.000 1.062 1208 I HN 0.745 nan 8.210 nan 0.000 0.426 1209 A N 0.180 122.932 122.820 -0.113 0.000 2.251 1209 A HA 0.372 4.692 4.320 -0.000 0.000 0.209 1209 A C 1.300 178.819 177.584 -0.108 0.000 1.187 1209 A CA 0.567 52.551 52.037 -0.088 0.000 0.823 1209 A CB -0.825 18.110 19.000 -0.107 0.000 0.846 1209 A HN 0.371 nan 8.150 nan 0.000 0.486 1210 G N -0.014 108.706 108.800 -0.133 0.000 2.537 1210 G HA2 0.486 4.446 3.960 -0.000 0.000 0.297 1210 G HA3 0.486 4.446 3.960 -0.000 0.000 0.297 1210 G C -0.409 174.404 174.900 -0.146 0.000 1.310 1210 G CA -0.180 44.833 45.100 -0.146 0.000 1.027 1210 G HN 0.696 nan 8.290 nan 0.000 0.505 1211 N N -2.820 115.751 118.700 -0.215 0.000 3.106 1211 N HA 0.215 4.955 4.740 -0.000 0.000 0.253 1211 N C -0.334 174.991 175.510 -0.308 0.000 1.506 1211 N CA -0.806 52.131 53.050 -0.188 0.000 0.876 1211 N CB 0.918 39.340 38.487 -0.107 0.000 1.452 1211 N HN 0.323 nan 8.380 nan 0.000 0.542 1212 N N 0.073 118.665 118.700 -0.181 0.000 2.251 1212 N HA 0.133 4.873 4.740 -0.000 0.000 0.217 1212 N C -0.619 174.878 175.510 -0.021 0.000 1.124 1212 N CA -0.387 52.576 53.050 -0.145 0.000 0.843 1212 N CB -0.566 37.889 38.487 -0.053 0.000 1.024 1212 N HN 0.706 nan 8.380 nan 0.000 0.501 1213 F N 1.408 121.358 119.950 -0.001 0.000 2.943 1213 F HA -0.234 4.293 4.527 -0.000 0.000 0.258 1213 F C 1.276 177.072 175.800 -0.006 0.000 0.995 1213 F CA 0.225 58.223 58.000 -0.004 0.000 0.896 1213 F CB -1.675 37.320 39.000 -0.007 0.000 0.821 1213 F HN 0.391 nan 8.300 nan 0.000 0.828 1214 G N 0.073 108.966 108.800 0.155 0.000 2.372 1214 G HA2 0.119 4.079 3.960 -0.000 0.000 0.297 1214 G HA3 0.119 4.079 3.960 -0.000 0.000 0.297 1214 G C 1.051 175.988 174.900 0.062 0.000 1.005 1214 G CA 0.863 46.016 45.100 0.088 0.000 1.173 1214 G HN 2.085 nan 8.290 nan 0.000 0.511 1215 G N -0.413 108.416 108.800 0.049 0.000 2.267 1215 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.257 1215 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.257 1215 G C 1.273 176.196 174.900 0.038 0.000 0.998 1215 G CA 1.006 46.124 45.100 0.030 0.000 0.620 1215 G HN 1.098 nan 8.290 nan 0.000 0.529 1216 R N -0.812 119.729 120.500 0.069 0.000 2.261 1216 R HA 0.203 4.543 4.340 -0.000 0.000 0.236 1216 R C 0.790 177.135 176.300 0.075 0.000 1.141 1216 R CA 1.116 57.262 56.100 0.077 0.000 1.001 1216 R CB -0.157 30.214 30.300 0.117 0.000 0.866 1216 R HN 0.426 nan 8.270 nan 0.000 0.468 1217 L N -1.448 119.810 121.223 0.058 0.000 2.283 1217 L HA 0.267 4.607 4.340 -0.000 0.000 0.259 1217 L C 0.390 177.259 176.870 -0.002 0.000 1.027 1217 L CA -0.327 54.527 54.840 0.023 0.000 0.828 1217 L CB 1.908 43.957 42.059 -0.017 0.000 1.380 1217 L HN -0.156 nan 8.230 nan 0.000 0.425 1218 Q N -0.262 119.533 119.800 -0.009 0.000 2.246 1218 Q HA 0.235 4.575 4.340 -0.000 0.000 0.222 1218 Q C -0.308 175.677 176.000 -0.024 0.000 0.851 1218 Q CA 0.200 55.996 55.803 -0.012 0.000 0.945 1218 Q CB 1.114 29.850 28.738 -0.003 0.000 1.122 1218 Q HN 0.827 nan 8.270 nan 0.000 0.508 1219 T N -2.697 111.834 114.554 -0.038 0.000 2.903 1219 T HA 0.466 4.816 4.350 -0.000 0.000 0.299 1219 T C -0.109 174.539 174.700 -0.086 0.000 1.093 1219 T CA -0.937 61.132 62.100 -0.051 0.000 1.002 1219 T CB 1.575 70.420 68.868 -0.038 0.000 1.127 1219 T HN -0.034 nan 8.240 nan 0.000 0.488 1220 R N 1.448 121.891 120.500 -0.095 0.000 4.045 1220 R HA 0.160 4.499 4.340 -0.000 0.000 0.174 1220 R C 0.952 177.173 176.300 -0.131 0.000 1.805 1220 R CA -0.045 55.977 56.100 -0.130 0.000 1.368 1220 R CB -0.350 29.878 30.300 -0.119 0.000 1.362 1220 R HN 0.500 nan 8.270 nan 0.000 0.777 1221 R N 0.151 120.565 120.500 -0.142 0.000 2.397 1221 R HA 0.096 4.436 4.340 -0.000 0.000 0.241 1221 R C 0.526 176.767 176.300 -0.098 0.000 0.914 1221 R CA -0.040 56.017 56.100 -0.071 0.000 1.071 1221 R CB 1.091 31.375 30.300 -0.026 0.000 1.116 1221 R HN 0.346 nan 8.270 nan 0.000 0.524 1222 G N 0.650 109.231 108.800 -0.364 0.000 2.379 1222 G HA2 0.544 4.504 3.960 -0.000 0.000 0.327 1222 G HA3 0.544 4.504 3.960 -0.000 0.000 0.327 1222 G C -1.632 173.031 174.900 -0.394 0.000 1.145 1222 G CA -0.237 44.375 45.100 -0.814 0.000 0.905 1222 G HN -0.028 nan 8.290 nan 0.000 0.466 1223 L N 1.574 122.817 121.223 0.034 0.000 2.526 1223 L HA 0.670 5.009 4.340 -0.000 0.000 0.263 1223 L C 0.324 177.409 176.870 0.358 0.000 0.943 1223 L CA -0.396 54.581 54.840 0.230 0.000 0.859 1223 L CB 1.904 44.089 42.059 0.211 0.000 1.313 1223 L HN 0.737 nan 8.230 nan 0.000 0.406 1224 G N 4.437 113.405 108.800 0.280 0.000 2.390 1224 G HA2 0.608 4.568 3.960 -0.000 0.000 0.270 1224 G HA3 0.608 4.568 3.960 -0.000 0.000 0.270 1224 G C -1.134 173.804 174.900 0.064 0.000 1.211 1224 G CA -0.206 44.978 45.100 0.140 0.000 0.842 1224 G HN 0.596 nan 8.290 nan 0.000 0.519 1225 L N 0.725 121.960 121.223 0.019 0.000 2.518 1225 L HA 0.285 4.624 4.340 -0.000 0.000 0.257 1225 L C -1.196 175.670 176.870 -0.007 0.000 0.980 1225 L CA -1.144 53.672 54.840 -0.040 0.000 0.837 1225 L CB 2.741 44.786 42.059 -0.023 0.000 1.410 1225 L HN 0.504 nan 8.230 nan 0.000 0.410 1226 D N 0.027 120.479 120.400 0.088 0.000 2.350 1226 D HA 0.135 4.774 4.640 -0.000 0.000 0.249 1226 D C 1.148 177.523 176.300 0.125 0.000 1.119 1226 D CA 0.324 54.408 54.000 0.141 0.000 0.886 1226 D CB 1.626 42.561 40.800 0.225 0.000 1.195 1226 D HN 0.540 nan 8.370 nan 0.000 0.437 1227 S N 2.120 117.799 115.700 -0.035 0.000 2.389 1227 S HA -0.314 4.156 4.470 -0.000 0.000 0.231 1227 S C 1.888 176.521 174.600 0.055 0.000 1.052 1227 S CA 1.547 59.706 58.200 -0.068 0.000 1.053 1227 S CB -0.978 62.229 63.200 0.013 0.000 0.886 1227 S HN 0.572 nan 8.310 nan 0.000 0.456 1228 S N 0.899 116.590 115.700 -0.015 0.000 2.484 1228 S HA -0.060 4.410 4.470 -0.000 0.000 0.250 1228 S C 1.140 175.578 174.600 -0.271 0.000 0.995 1228 S CA 1.016 59.130 58.200 -0.143 0.000 0.967 1228 S CB -0.945 62.019 63.200 -0.393 0.000 0.752 1228 S HN 0.575 nan 8.310 nan 0.000 0.517 1229 F N 1.032 120.878 119.950 -0.174 0.000 2.727 1229 F HA 0.484 5.011 4.527 -0.001 0.000 0.302 1229 F C 0.629 176.271 175.800 -0.263 0.000 1.097 1229 F CA -0.142 57.658 58.000 -0.333 0.000 1.330 1229 F CB 0.279 39.033 39.000 -0.410 0.000 1.084 1229 F HN 0.105 nan 8.300 nan 0.000 0.578 1230 L N 1.046 122.328 121.223 0.098 0.000 2.385 1230 L HA 0.426 4.766 4.340 -0.000 0.000 0.273 1230 L C -1.173 175.838 176.870 0.235 0.000 0.990 1230 L CA -1.027 53.923 54.840 0.184 0.000 0.821 1230 L CB 2.339 44.515 42.059 0.195 0.000 1.279 1230 L HN -0.207 nan 8.230 nan 0.000 0.412 1231 L N 3.691 125.009 121.223 0.158 0.000 2.275 1231 L HA 0.358 4.698 4.340 -0.000 0.000 0.288 1231 L C 0.079 177.029 176.870 0.134 0.000 1.046 1231 L CA 0.137 55.026 54.840 0.082 0.000 0.805 1231 L CB 1.342 43.353 42.059 -0.080 0.000 1.193 1231 L HN 0.587 nan 8.230 nan 0.000 0.426 1232 N N 4.405 123.149 118.700 0.074 0.000 2.406 1232 N HA 0.195 4.934 4.740 -0.000 0.000 0.251 1232 N C 0.492 176.082 175.510 0.134 0.000 1.069 1232 N CA -0.425 52.642 53.050 0.028 0.000 0.947 1232 N CB 0.667 38.928 38.487 -0.375 0.000 1.111 1232 N HN 0.754 nan 8.380 nan 0.000 0.497 1233 L N 2.289 123.601 121.223 0.148 0.000 2.375 1233 L HA 0.070 4.410 4.340 -0.000 0.000 0.215 1233 L C 1.999 178.931 176.870 0.103 0.000 1.108 1233 L CA 0.268 55.228 54.840 0.200 0.000 0.830 1233 L CB 0.034 42.192 42.059 0.164 0.000 0.959 1233 L HN 0.522 nan 8.230 nan 0.000 0.457 1234 S N -1.013 114.719 115.700 0.053 0.000 2.388 1234 S HA -0.061 4.409 4.470 -0.000 0.000 0.223 1234 S C 0.827 175.422 174.600 -0.007 0.000 1.034 1234 S CA 0.632 58.846 58.200 0.023 0.000 0.963 1234 S CB 0.005 63.224 63.200 0.033 0.000 0.827 1234 S HN 0.281 nan 8.310 nan 0.000 0.481 1235 D N 1.706 122.089 120.400 -0.029 0.000 2.514 1235 D HA 0.222 4.862 4.640 -0.000 0.000 0.267 1235 D C -0.702 175.542 176.300 -0.093 0.000 1.165 1235 D CA -0.384 53.579 54.000 -0.062 0.000 0.958 1235 D CB -0.033 40.728 40.800 -0.065 0.000 0.992 1235 D HN -0.001 nan 8.370 nan 0.000 0.506 1236 R N 1.771 122.203 120.500 -0.114 0.000 2.413 1236 R HA 0.097 4.437 4.340 -0.000 0.000 0.333 1236 R C 0.980 177.166 176.300 -0.190 0.000 1.074 1236 R CA 0.493 56.458 56.100 -0.224 0.000 0.982 1236 R CB 0.363 30.353 30.300 -0.516 0.000 0.981 1236 R HN 0.367 nan 8.270 nan 0.000 0.452 1237 Q N 2.306 122.068 119.800 -0.063 0.000 2.217 1237 Q HA 0.169 4.508 4.340 -0.000 0.000 0.217 1237 Q C 0.389 176.393 176.000 0.007 0.000 0.844 1237 Q CA 0.189 55.962 55.803 -0.051 0.000 0.957 1237 Q CB 0.780 29.476 28.738 -0.070 0.000 1.127 1237 Q HN 0.554 nan 8.270 nan 0.000 0.503 1238 L N 0.261 121.540 121.223 0.093 0.000 3.298 1238 L HA 0.241 4.580 4.340 -0.000 0.000 0.296 1238 L C 0.359 177.315 176.870 0.143 0.000 1.237 1238 L CA -0.340 54.583 54.840 0.138 0.000 1.038 1238 L CB 0.631 42.797 42.059 0.179 0.000 1.423 1238 L HN -0.048 nan 8.230 nan 0.000 0.605 1239 V N -1.940 117.947 119.914 -0.046 0.000 3.332 1239 V HA 0.142 4.262 4.120 -0.000 0.000 0.305 1239 V C 0.274 176.397 176.094 0.048 0.000 1.114 1239 V CA -0.355 61.877 62.300 -0.113 0.000 1.194 1239 V CB -0.175 31.457 31.823 -0.317 0.000 1.027 1239 V HN 0.371 nan 8.190 nan 0.000 0.492 1240 Y N 0.000 120.227 120.300 -0.122 0.000 2.660 1240 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 1240 Y CA 0.000 58.043 58.100 -0.095 0.000 1.940 1240 Y CB 0.000 38.418 38.460 -0.070 0.000 1.050 1240 Y HN 0.000 nan 8.280 nan 0.000 0.758