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 3pif_1_B 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 XXXXXXXXXF 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 XXX??????? ?????????? DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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 0.000 176.262 176.117 0.242 0.000 1.063 3 I CA 0.000 61.381 61.300 0.135 0.000 1.566 3 I CB 0.000 38.038 38.000 0.064 0.000 1.214 4 P HA -0.274 nan 4.420 nan 0.000 0.221 4 P C 0.766 178.210 177.300 0.240 0.000 0.967 4 P CA 1.704 64.901 63.100 0.162 0.000 1.038 4 P CB 0.134 31.892 31.700 0.097 0.000 0.731 5 K N -2.528 118.088 120.400 0.360 0.000 2.576 5 K HA 0.183 4.502 4.320 -0.002 0.000 0.209 5 K C 1.170 178.032 176.600 0.436 0.000 1.049 5 K CA -0.341 56.166 56.287 0.368 0.000 1.140 5 K CB -0.779 31.887 32.500 0.275 0.000 0.871 5 K HN 0.160 nan 8.250 nan 0.000 0.479 6 F N 0.675 120.791 119.950 0.277 0.000 2.039 6 F HA -0.172 4.354 4.527 -0.002 0.000 0.294 6 F C 1.871 177.773 175.800 0.171 0.000 1.130 6 F CA 1.107 59.195 58.000 0.148 0.000 1.189 6 F CB -0.418 38.687 39.000 0.175 0.000 0.983 6 F HN 0.085 nan 8.300 nan 0.000 0.471 7 F N 0.981 120.901 119.950 -0.050 0.000 2.021 7 F HA -0.339 4.187 4.527 -0.002 0.000 0.297 7 F C 2.742 178.501 175.800 -0.068 0.000 1.152 7 F CA 2.591 60.512 58.000 -0.132 0.000 1.201 7 F CB -1.464 37.528 39.000 -0.014 0.000 0.951 7 F HN 0.252 nan 8.300 nan 0.000 0.504 8 H N -1.515 117.520 119.070 -0.057 0.000 2.272 8 H HA -0.353 4.201 4.556 -0.002 0.000 0.289 8 H C 2.199 177.475 175.328 -0.087 0.000 1.100 8 H CA 2.637 58.622 56.048 -0.106 0.000 1.209 8 H CB -0.708 29.009 29.762 -0.076 0.000 1.348 8 H HN 0.390 nan 8.280 nan 0.000 0.481 9 F N 0.363 120.258 119.950 -0.092 0.000 2.102 9 F HA -0.161 4.365 4.527 -0.002 0.000 0.298 9 F C 2.372 177.878 175.800 -0.491 0.000 1.105 9 F CA 1.609 59.451 58.000 -0.263 0.000 1.239 9 F CB -0.556 38.150 39.000 -0.490 0.000 0.991 9 F HN 0.242 nan 8.300 nan 0.000 0.474 10 I N -0.581 119.464 120.570 -0.875 0.000 2.353 10 I HA -0.263 3.906 4.170 -0.002 0.000 0.248 10 I C 2.214 177.897 176.117 -0.723 0.000 1.119 10 I CA 1.363 62.081 61.300 -0.971 0.000 1.417 10 I CB -0.317 37.240 38.000 -0.739 0.000 1.078 10 I HN 0.177 nan 8.210 nan 0.000 0.421 11 S N 0.378 115.705 115.700 -0.622 0.000 2.357 11 S HA -0.139 4.330 4.470 -0.002 0.000 0.221 11 S C 1.663 175.943 174.600 -0.533 0.000 1.031 11 S CA 1.045 58.910 58.200 -0.559 0.000 0.982 11 S CB -0.212 62.611 63.200 -0.628 0.000 0.853 11 S HN 0.481 nan 8.310 nan 0.000 0.458 12 E N 0.831 120.750 120.200 -0.469 0.000 2.274 12 E HA -0.025 4.324 4.350 -0.002 0.000 0.194 12 E C 2.166 178.461 176.600 -0.508 0.000 0.996 12 E CA 0.283 56.439 56.400 -0.406 0.000 0.840 12 E CB -0.040 29.554 29.700 -0.176 0.000 0.772 12 E HN 0.310 nan 8.360 nan 0.000 0.491 13 R N 0.164 120.185 120.500 -0.798 0.000 2.093 13 R HA -0.043 4.296 4.340 -0.002 0.000 0.224 13 R C -0.004 175.696 176.300 -1.000 0.000 1.101 13 R CA 0.711 56.175 56.100 -1.060 0.000 0.979 13 R CB 0.449 29.666 30.300 -1.804 0.000 0.877 13 R HN 0.109 nan 8.270 nan 0.000 0.441 14 W N 1.005 121.884 121.300 -0.701 0.000 2.423 14 W HA 0.346 5.005 4.660 -0.002 0.000 0.286 14 W C -2.482 173.520 176.519 -0.862 0.000 1.001 14 W CA -2.511 54.148 57.345 -1.143 0.000 1.643 14 W CB 1.228 29.970 29.460 -1.196 0.000 1.593 14 W HN -0.010 nan 8.180 nan 0.000 0.403 15 P HA 0.030 nan 4.420 nan 0.000 0.253 15 P C 0.429 177.679 177.300 -0.084 0.000 1.508 15 P CA 0.874 63.820 63.100 -0.257 0.000 0.883 15 P CB 0.276 31.843 31.700 -0.222 0.000 1.519 16 Q N -0.172 119.663 119.800 0.058 0.000 2.115 16 Q HA 0.242 4.581 4.340 -0.002 0.000 0.249 16 Q C 1.258 177.460 176.000 0.336 0.000 0.830 16 Q CA -0.099 55.851 55.803 0.244 0.000 1.104 16 Q CB 0.414 29.366 28.738 0.357 0.000 1.207 16 Q HN 0.356 nan 8.270 nan 0.000 0.464 17 I N -3.898 116.798 120.570 0.210 0.000 3.228 17 I HA 0.206 4.375 4.170 -0.002 0.000 0.279 17 I C 0.465 176.783 176.117 0.336 0.000 1.221 17 I CA 0.253 61.718 61.300 0.276 0.000 1.458 17 I CB 0.568 38.675 38.000 0.178 0.000 1.105 17 I HN -0.174 nan 8.210 nan 0.000 0.445 18 S N 2.053 117.886 115.700 0.221 0.000 2.489 18 S HA 0.354 4.823 4.470 -0.002 0.000 0.291 18 S C -0.384 174.338 174.600 0.203 0.000 1.151 18 S CA -0.475 57.878 58.200 0.256 0.000 1.082 18 S CB 1.626 64.919 63.200 0.154 0.000 1.019 18 S HN 0.433 nan 8.310 nan 0.000 0.492 19 Q N 3.555 123.512 119.800 0.261 0.000 2.464 19 Q HA 0.309 4.648 4.340 -0.002 0.000 0.256 19 Q C -1.031 175.059 176.000 0.150 0.000 1.020 19 Q CA -0.831 54.990 55.803 0.029 0.000 0.716 19 Q CB 0.614 29.257 28.738 -0.158 0.000 1.230 19 Q HN 0.597 nan 8.270 nan 0.000 0.494 20 L N 4.297 125.588 121.223 0.113 0.000 2.742 20 L HA -0.059 4.279 4.340 -0.002 0.000 0.297 20 L C -0.814 175.940 176.870 -0.193 0.000 1.238 20 L CA 1.457 56.106 54.840 -0.318 0.000 0.895 20 L CB 0.205 42.117 42.059 -0.244 0.000 1.166 20 L HN 0.653 nan 8.230 nan 0.000 0.494 21 I N 5.426 125.864 120.570 -0.220 0.000 2.304 21 I HA 0.209 4.378 4.170 -0.002 0.000 0.291 21 I C -0.108 175.956 176.117 -0.088 0.000 1.018 21 I CA -0.086 61.159 61.300 -0.092 0.000 1.260 21 I CB 0.816 38.791 38.000 -0.042 0.000 1.390 21 I HN 0.742 nan 8.210 nan 0.000 0.475 22 D N 4.551 124.916 120.400 -0.057 0.000 2.692 22 D HA 0.195 4.834 4.640 -0.002 0.000 0.290 22 D C 0.868 177.156 176.300 -0.019 0.000 1.455 22 D CA 0.165 54.139 54.000 -0.045 0.000 0.796 22 D CB 0.676 41.447 40.800 -0.050 0.000 1.131 22 D HN 0.725 nan 8.370 nan 0.000 0.467 23 G N 0.795 109.587 108.800 -0.014 0.000 2.363 23 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.238 23 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.238 23 G C 0.579 175.476 174.900 -0.006 0.000 1.062 23 G CA 0.453 45.548 45.100 -0.007 0.000 0.629 23 G HN 1.031 nan 8.290 nan 0.000 0.514 24 S N 0.517 116.217 115.700 0.000 0.000 2.608 24 S HA 0.491 4.960 4.470 -0.002 0.000 0.261 24 S C 0.419 175.027 174.600 0.015 0.000 1.314 24 S CA 0.601 58.811 58.200 0.016 0.000 0.992 24 S CB 1.205 64.421 63.200 0.027 0.000 0.935 24 S HN 1.351 nan 8.310 nan 0.000 0.564 25 Q N 1.526 121.347 119.800 0.035 0.000 2.296 25 Q HA 0.410 4.748 4.340 -0.002 0.000 0.262 25 Q C 0.093 176.098 176.000 0.008 0.000 0.981 25 Q CA -0.729 55.085 55.803 0.018 0.000 0.905 25 Q CB 0.216 28.969 28.738 0.025 0.000 1.186 25 Q HN 0.762 nan 8.270 nan 0.000 0.399 26 I N 0.347 120.918 120.570 0.001 0.000 3.110 26 I HA 0.607 4.776 4.170 -0.002 0.000 0.314 26 I C -2.263 173.830 176.117 -0.041 0.000 1.020 26 I CA -2.994 58.319 61.300 0.022 0.000 1.169 26 I CB 0.477 38.522 38.000 0.075 0.000 1.437 26 I HN 0.509 nan 8.210 nan 0.000 0.595 27 P HA 0.197 nan 4.420 nan 0.000 0.274 27 P C -1.219 175.897 177.300 -0.306 0.000 1.256 27 P CA -0.298 62.596 63.100 -0.343 0.000 0.795 27 P CB 0.412 31.590 31.700 -0.871 0.000 1.038 28 E N 0.175 120.197 120.200 -0.297 0.000 2.283 28 E HA 0.352 4.701 4.350 -0.002 0.000 0.278 28 E C -0.835 175.567 176.600 -0.331 0.000 1.027 28 E CA -0.182 56.103 56.400 -0.191 0.000 0.843 28 E CB 0.440 30.052 29.700 -0.146 0.000 1.062 28 E HN 0.300 nan 8.360 nan 0.000 0.401 29 F N 1.352 121.249 119.950 -0.089 0.000 2.508 29 F HA 0.187 4.713 4.527 -0.002 0.000 0.325 29 F C 1.160 176.865 175.800 -0.158 0.000 1.090 29 F CA -0.603 57.346 58.000 -0.085 0.000 0.945 29 F CB 1.505 40.429 39.000 -0.126 0.000 1.156 29 F HN 0.422 nan 8.300 nan 0.000 0.463 30 D N 0.630 121.022 120.400 -0.013 0.000 2.106 30 D HA -0.020 4.619 4.640 -0.002 0.000 0.203 30 D C -0.037 176.185 176.300 -0.131 0.000 0.977 30 D CA 1.393 55.328 54.000 -0.108 0.000 0.844 30 D CB 0.134 40.829 40.800 -0.174 0.000 1.002 30 D HN 0.348 nan 8.370 nan 0.000 0.461 31 N N 0.258 118.839 118.700 -0.199 0.000 2.272 31 N HA 0.449 5.188 4.740 -0.002 0.000 0.305 31 N C -0.967 174.252 175.510 -0.484 0.000 1.103 31 N CA -0.593 52.257 53.050 -0.334 0.000 0.791 31 N CB 2.652 40.904 38.487 -0.391 0.000 1.356 31 N HN 0.006 nan 8.380 nan 0.000 0.486 32 L N 1.353 122.269 121.223 -0.512 0.000 2.386 32 L HA 0.585 4.924 4.340 -0.002 0.000 0.271 32 L C -1.845 174.767 176.870 -0.429 0.000 0.993 32 L CA -0.620 53.968 54.840 -0.421 0.000 0.819 32 L CB 1.101 43.059 42.059 -0.168 0.000 1.294 32 L HN 0.466 nan 8.230 nan 0.000 0.414 33 Y N 5.066 125.447 120.300 0.135 0.000 2.350 33 Y HA 0.648 5.197 4.550 -0.002 0.000 0.338 33 Y C -0.617 175.410 175.900 0.212 0.000 0.961 33 Y CA -0.941 57.247 58.100 0.147 0.000 1.100 33 Y CB 1.565 40.071 38.460 0.076 0.000 1.179 33 Y HN 0.394 nan 8.280 nan 0.000 0.454 34 L N 3.204 124.638 121.223 0.352 0.000 2.309 34 L HA 0.419 4.758 4.340 -0.002 0.000 0.282 34 L C -0.553 176.521 176.870 0.341 0.000 1.036 34 L CA -0.780 54.300 54.840 0.400 0.000 0.806 34 L CB 1.337 43.619 42.059 0.371 0.000 1.220 34 L HN 0.585 nan 8.230 nan 0.000 0.429 35 D N 3.374 123.970 120.400 0.326 0.000 2.456 35 D HA 0.273 4.912 4.640 -0.002 0.000 0.219 35 D C 0.542 177.003 176.300 0.268 0.000 1.126 35 D CA -0.188 53.953 54.000 0.235 0.000 0.890 35 D CB 1.198 42.084 40.800 0.144 0.000 1.025 35 D HN 0.464 nan 8.370 nan 0.000 0.511 36 M N 2.027 121.780 119.600 0.255 0.000 2.506 36 M HA 0.014 4.492 4.480 -0.002 0.000 0.260 36 M C 1.464 177.865 176.300 0.169 0.000 1.104 36 M CA 0.225 55.670 55.300 0.241 0.000 1.112 36 M CB -0.027 32.719 32.600 0.243 0.000 1.401 36 M HN 0.245 nan 8.290 nan 0.000 0.473 37 N N 0.506 119.306 118.700 0.167 0.000 2.091 37 N HA -0.209 4.530 4.740 -0.002 0.000 0.193 37 N C 1.788 177.386 175.510 0.147 0.000 1.021 37 N CA 2.180 55.317 53.050 0.145 0.000 0.862 37 N CB -0.159 38.446 38.487 0.196 0.000 1.018 37 N HN 0.397 nan 8.380 nan 0.000 0.429 38 S N -0.101 115.701 115.700 0.170 0.000 2.428 38 S HA -0.012 4.456 4.470 -0.002 0.000 0.230 38 S C 1.854 176.488 174.600 0.057 0.000 1.014 38 S CA 0.575 58.874 58.200 0.165 0.000 0.957 38 S CB -0.493 62.781 63.200 0.125 0.000 0.784 38 S HN 0.300 nan 8.310 nan 0.000 0.499 39 I N 1.408 121.970 120.570 -0.014 0.000 2.394 39 I HA -0.086 4.083 4.170 -0.002 0.000 0.251 39 I C 2.294 178.309 176.117 -0.170 0.000 1.136 39 I CA 0.901 62.066 61.300 -0.226 0.000 1.425 39 I CB -0.414 37.437 38.000 -0.249 0.000 1.079 39 I HN 0.275 nan 8.210 nan 0.000 0.425 40 L N -0.141 121.013 121.223 -0.115 0.000 2.072 40 L HA -0.173 4.166 4.340 -0.002 0.000 0.205 40 L C 2.633 179.362 176.870 -0.234 0.000 1.079 40 L CA 1.185 55.909 54.840 -0.193 0.000 0.752 40 L CB -0.912 41.033 42.059 -0.190 0.000 0.906 40 L HN 0.372 nan 8.230 nan 0.000 0.436 41 H N -0.878 118.208 119.070 0.028 0.000 2.470 41 H HA -0.064 4.491 4.556 -0.002 0.000 0.289 41 H C 1.945 177.323 175.328 0.083 0.000 1.033 41 H CA 0.907 57.022 56.048 0.112 0.000 1.331 41 H CB -0.039 29.812 29.762 0.149 0.000 1.414 41 H HN 0.319 nan 8.280 nan 0.000 0.545 42 N N 1.196 119.945 118.700 0.081 0.000 2.080 42 N HA -0.110 4.629 4.740 -0.002 0.000 0.189 42 N C 1.457 176.942 175.510 -0.042 0.000 1.036 42 N CA 0.973 54.041 53.050 0.030 0.000 0.846 42 N CB -0.497 37.969 38.487 -0.036 0.000 1.015 42 N HN 0.129 nan 8.380 nan 0.000 0.423 43 C N -0.235 118.983 119.300 -0.135 0.000 2.536 43 C HA 0.244 4.703 4.460 -0.002 0.000 0.285 43 C C 1.752 176.558 174.990 -0.306 0.000 1.371 43 C CA 0.269 59.176 59.018 -0.184 0.000 1.675 43 C CB -1.453 26.158 27.740 -0.215 0.000 1.689 43 C HN 0.470 nan 8.230 nan 0.000 0.589 44 T N -1.672 112.648 114.554 -0.391 0.000 2.954 44 T HA 0.144 4.493 4.350 -0.002 0.000 0.252 44 T C 0.675 174.906 174.700 -0.782 0.000 0.983 44 T CA 0.585 62.238 62.100 -0.745 0.000 0.941 44 T CB 0.394 68.633 68.868 -1.049 0.000 1.141 44 T HN 0.582 nan 8.240 nan 0.000 0.500 45 H N 0.021 119.023 119.070 -0.113 0.000 5.156 45 H HA 0.615 5.170 4.556 -0.002 0.000 0.174 45 H C 1.298 176.611 175.328 -0.025 0.000 1.325 45 H CA -0.327 55.696 56.048 -0.042 0.000 0.402 45 H CB -0.460 29.303 29.762 0.003 0.000 1.600 45 H HN 0.213 nan 8.280 nan 0.000 0.311 55 L N 0.978 122.195 121.223 -0.010 0.000 2.298 55 L HA 0.580 4.919 4.340 -0.002 0.000 0.268 55 L C 0.842 177.713 176.870 0.002 0.000 1.010 55 L CA -0.319 54.512 54.840 -0.014 0.000 0.812 55 L CB 1.350 43.384 42.059 -0.042 0.000 1.331 55 L HN 0.811 nan 8.230 nan 0.000 0.450 56 S N -0.952 114.755 115.700 0.012 0.000 2.632 56 S HA 0.118 4.587 4.470 -0.002 0.000 0.254 56 S C 0.876 175.507 174.600 0.051 0.000 1.291 56 S CA 0.184 58.406 58.200 0.037 0.000 0.974 56 S CB 0.380 63.605 63.200 0.042 0.000 1.016 56 S HN 0.664 nan 8.310 nan 0.000 0.579 57 E N 0.481 120.733 120.200 0.087 0.000 2.075 57 E HA -0.082 4.267 4.350 -0.002 0.000 0.190 57 E C 2.111 178.797 176.600 0.144 0.000 0.969 57 E CA 1.052 57.534 56.400 0.136 0.000 0.815 57 E CB -0.315 29.478 29.700 0.155 0.000 0.776 57 E HN 0.910 nan 8.360 nan 0.000 0.457 58 E N 0.540 120.823 120.200 0.139 0.000 2.333 58 E HA -0.199 4.150 4.350 -0.002 0.000 0.198 58 E C 1.584 178.295 176.600 0.186 0.000 1.007 58 E CA 0.860 57.402 56.400 0.236 0.000 0.845 58 E CB -0.015 29.889 29.700 0.339 0.000 0.766 58 E HN 0.043 nan 8.360 nan 0.000 0.507 59 E N 1.031 121.280 120.200 0.081 0.000 2.031 59 E HA -0.139 4.210 4.350 -0.002 0.000 0.193 59 E C 2.036 178.614 176.600 -0.037 0.000 0.994 59 E CA 1.445 57.855 56.400 0.016 0.000 0.800 59 E CB -0.211 29.483 29.700 -0.010 0.000 0.752 59 E HN 0.181 nan 8.360 nan 0.000 0.447 60 V N -0.090 119.777 119.914 -0.078 0.000 2.216 60 V HA -0.279 3.840 4.120 -0.002 0.000 0.242 60 V C 1.869 177.748 176.094 -0.358 0.000 1.042 60 V CA 2.091 64.249 62.300 -0.237 0.000 0.991 60 V CB -0.801 30.844 31.823 -0.296 0.000 0.633 60 V HN 0.346 nan 8.190 nan 0.000 0.449 61 Y N 0.079 120.181 120.300 -0.330 0.000 2.651 61 Y HA -0.148 4.401 4.550 -0.002 0.000 0.293 61 Y C 2.737 178.176 175.900 -0.769 0.000 1.151 61 Y CA 1.298 58.961 58.100 -0.727 0.000 1.362 61 Y CB -0.378 37.553 38.460 -0.882 0.000 0.973 61 Y HN 0.157 nan 8.280 nan 0.000 0.561 62 S N -0.600 115.029 115.700 -0.119 0.000 2.414 62 S HA -0.079 4.390 4.470 -0.002 0.000 0.227 62 S C 2.002 176.563 174.600 -0.064 0.000 1.022 62 S CA 0.788 59.020 58.200 0.055 0.000 0.958 62 S CB 0.068 63.330 63.200 0.104 0.000 0.797 62 S HN 0.369 nan 8.310 nan 0.000 0.493 63 K N 1.026 121.355 120.400 -0.118 0.000 2.166 63 K HA 0.142 4.460 4.320 -0.002 0.000 0.201 63 K C 1.923 178.497 176.600 -0.044 0.000 1.052 63 K CA 0.410 56.662 56.287 -0.058 0.000 0.969 63 K CB -0.295 32.176 32.500 -0.048 0.000 0.761 63 K HN 0.347 nan 8.250 nan 0.000 0.459 64 I N 1.355 121.804 120.570 -0.202 0.000 2.091 64 I HA -0.280 3.889 4.170 -0.002 0.000 0.239 64 I C 2.417 178.521 176.117 -0.022 0.000 1.061 64 I CA 1.705 62.907 61.300 -0.163 0.000 1.317 64 I CB -1.172 36.614 38.000 -0.356 0.000 1.031 64 I HN -0.051 nan 8.210 nan 0.000 0.401 65 F N 1.722 121.489 119.950 -0.304 0.000 2.134 65 F HA -0.146 4.380 4.527 -0.002 0.000 0.299 65 F C 2.978 178.549 175.800 -0.381 0.000 1.097 65 F CA 1.056 58.600 58.000 -0.759 0.000 1.264 65 F CB -1.721 36.721 39.000 -0.931 0.000 1.001 65 F HN 0.048 nan 8.300 nan 0.000 0.479 66 S N -0.984 114.746 115.700 0.052 0.000 2.368 66 S HA -0.240 4.229 4.470 -0.002 0.000 0.225 66 S C 1.963 176.641 174.600 0.131 0.000 1.030 66 S CA 1.057 59.303 58.200 0.077 0.000 0.999 66 S CB -0.816 62.397 63.200 0.021 0.000 0.844 66 S HN 0.380 nan 8.310 nan 0.000 0.459 67 Y N 1.546 121.871 120.300 0.042 0.000 2.165 67 Y HA -0.162 4.386 4.550 -0.002 0.000 0.286 67 Y C 2.017 177.993 175.900 0.127 0.000 1.155 67 Y CA 1.356 59.499 58.100 0.072 0.000 1.164 67 Y CB -0.214 38.274 38.460 0.047 0.000 0.978 67 Y HN 0.196 nan 8.280 nan 0.000 0.513 68 I N -0.500 120.287 120.570 0.362 0.000 2.133 68 I HA -0.312 3.857 4.170 -0.002 0.000 0.238 68 I C 2.155 178.565 176.117 0.489 0.000 1.074 68 I CA 1.686 63.245 61.300 0.433 0.000 1.342 68 I CB -0.456 37.839 38.000 0.491 0.000 1.053 68 I HN 0.122 nan 8.210 nan 0.000 0.404 69 D N -0.018 120.687 120.400 0.507 0.000 2.149 69 D HA -0.295 4.344 4.640 -0.002 0.000 0.194 69 D C 2.003 178.594 176.300 0.486 0.000 1.001 69 D CA 1.646 56.005 54.000 0.599 0.000 0.849 69 D CB -0.071 40.991 40.800 0.438 0.000 0.939 69 D HN 0.384 nan 8.370 nan 0.000 0.449 70 H N -0.274 118.897 119.070 0.169 0.000 2.256 70 H HA -0.015 4.540 4.556 -0.002 0.000 0.299 70 H C 2.210 177.496 175.328 -0.070 0.000 1.071 70 H CA 1.802 57.850 56.048 0.001 0.000 1.280 70 H CB -0.476 29.185 29.762 -0.168 0.000 1.370 70 H HN 0.107 nan 8.280 nan 0.000 0.490 71 L N -0.888 120.263 121.223 -0.120 0.000 2.013 71 L HA -0.195 4.144 4.340 -0.002 0.000 0.212 71 L C 2.412 179.143 176.870 -0.230 0.000 1.073 71 L CA 1.603 56.280 54.840 -0.272 0.000 0.753 71 L CB -0.774 41.181 42.059 -0.174 0.000 0.890 71 L HN 0.263 nan 8.230 nan 0.000 0.432 72 F N 0.691 120.496 119.950 -0.241 0.000 2.065 72 F HA -0.293 4.233 4.527 -0.002 0.000 0.298 72 F C 2.541 178.012 175.800 -0.547 0.000 1.112 72 F CA 2.131 59.790 58.000 -0.568 0.000 1.212 72 F CB -0.296 38.256 39.000 -0.748 0.000 0.975 72 F HN 0.077 nan 8.300 nan 0.000 0.476 73 H N -1.299 117.708 119.070 -0.106 0.000 2.428 73 H HA -0.049 4.506 4.556 -0.002 0.000 0.296 73 H C 2.187 177.336 175.328 -0.297 0.000 1.062 73 H CA 1.705 57.655 56.048 -0.163 0.000 1.350 73 H CB -0.658 29.125 29.762 0.036 0.000 1.403 73 H HN 0.185 nan 8.280 nan 0.000 0.533 74 T N 0.482 114.835 114.554 -0.335 0.000 2.778 74 T HA -0.122 4.227 4.350 -0.002 0.000 0.269 74 T C 1.682 176.186 174.700 -0.327 0.000 1.050 74 T CA 1.246 63.115 62.100 -0.386 0.000 1.137 74 T CB 0.072 68.613 68.868 -0.546 0.000 0.860 74 T HN 0.285 nan 8.240 nan 0.000 0.468 75 I N -0.390 119.927 120.570 -0.423 0.000 3.883 75 I HA 0.145 4.314 4.170 -0.002 0.000 0.305 75 I C 0.091 175.960 176.117 -0.414 0.000 1.247 75 I CA 0.369 61.426 61.300 -0.405 0.000 1.350 75 I CB -0.050 37.643 38.000 -0.511 0.000 1.194 75 I HN 0.206 nan 8.210 nan 0.000 0.441 76 K N 1.867 121.864 120.400 -0.673 0.000 3.939 76 K HA -0.116 4.203 4.320 -0.002 0.000 0.281 76 K C -2.416 173.821 176.600 -0.605 0.000 0.981 76 K CA -0.093 55.759 56.287 -0.724 0.000 0.833 76 K CB -1.515 30.772 32.500 -0.355 0.000 1.501 76 K HN 0.248 nan 8.250 nan 0.000 0.445 77 P HA 0.072 nan 4.420 nan 0.000 0.275 77 P C 0.086 177.213 177.300 -0.288 0.000 1.228 77 P CA -0.159 62.694 63.100 -0.413 0.000 0.786 77 P CB 0.840 32.310 31.700 -0.383 0.000 0.927 78 K N 0.820 121.119 120.400 -0.169 0.000 2.323 78 K HA 0.023 4.342 4.320 -0.002 0.000 0.197 78 K C 1.653 178.204 176.600 -0.082 0.000 1.043 78 K CA 0.762 56.975 56.287 -0.123 0.000 0.997 78 K CB 0.341 32.777 32.500 -0.108 0.000 0.807 78 K HN 0.399 nan 8.250 nan 0.000 0.497 79 Q N -0.831 118.928 119.800 -0.067 0.000 2.631 79 Q HA 0.154 4.493 4.340 -0.002 0.000 0.220 79 Q C 0.187 176.199 176.000 0.020 0.000 0.819 79 Q CA 0.778 56.569 55.803 -0.020 0.000 0.914 79 Q CB 1.074 29.803 28.738 -0.016 0.000 1.248 79 Q HN -0.024 nan 8.270 nan 0.000 0.629 80 T N 1.387 115.948 114.554 0.011 0.000 2.861 80 T HA 0.561 4.910 4.350 -0.002 0.000 0.287 80 T C -1.523 173.222 174.700 0.074 0.000 1.003 80 T CA -0.368 61.771 62.100 0.064 0.000 0.977 80 T CB 1.379 70.313 68.868 0.110 0.000 0.996 80 T HN 0.006 nan 8.240 nan 0.000 0.448 81 F N 3.658 123.574 119.950 -0.058 0.000 2.539 81 F HA 0.590 5.116 4.527 -0.002 0.000 0.328 81 F C -1.854 173.955 175.800 0.016 0.000 1.148 81 F CA -1.811 56.150 58.000 -0.065 0.000 0.940 81 F CB 1.096 40.065 39.000 -0.052 0.000 1.194 81 F HN 0.636 nan 8.300 nan 0.000 0.438 82 Y N 7.534 127.567 120.300 -0.445 0.000 2.426 82 Y HA 0.594 5.143 4.550 -0.002 0.000 0.325 82 Y C -1.104 174.595 175.900 -0.334 0.000 0.989 82 Y CA -0.861 57.042 58.100 -0.328 0.000 1.284 82 Y CB 1.106 39.480 38.460 -0.143 0.000 1.104 82 Y HN 0.617 nan 8.280 nan 0.000 0.481 83 M N 5.141 124.473 119.600 -0.445 0.000 2.233 83 M HA 0.665 5.144 4.480 -0.002 0.000 0.355 83 M C -0.624 175.611 176.300 -0.109 0.000 1.191 83 M CA -0.275 54.929 55.300 -0.159 0.000 1.101 83 M CB 1.446 34.060 32.600 0.023 0.000 1.592 83 M HN 0.718 nan 8.290 nan 0.000 0.461 84 A N 4.884 127.743 122.820 0.065 0.000 2.414 84 A HA 0.749 5.068 4.320 -0.002 0.000 0.286 84 A C -0.951 176.682 177.584 0.081 0.000 1.073 84 A CA -0.652 51.400 52.037 0.026 0.000 0.727 84 A CB 0.697 19.837 19.000 0.234 0.000 1.215 84 A HN 0.836 nan 8.150 nan 0.000 0.430 85 I N 1.189 121.760 120.570 0.002 0.000 2.577 85 I HA 0.270 4.438 4.170 -0.002 0.000 0.305 85 I C -0.436 175.759 176.117 0.130 0.000 0.986 85 I CA -0.884 60.483 61.300 0.111 0.000 1.189 85 I CB 1.366 39.475 38.000 0.182 0.000 1.355 85 I HN 0.473 nan 8.210 nan 0.000 0.476 86 D N 4.189 124.698 120.400 0.181 0.000 2.412 86 D HA 0.186 4.825 4.640 -0.002 0.000 0.257 86 D C 0.405 176.837 176.300 0.220 0.000 1.217 86 D CA 0.446 54.566 54.000 0.200 0.000 0.897 86 D CB 1.011 41.936 40.800 0.207 0.000 1.132 86 D HN 0.710 nan 8.370 nan 0.000 0.493 87 G N 1.102 110.026 108.800 0.207 0.000 2.525 87 G HA2 0.335 4.293 3.960 -0.002 0.000 0.287 87 G HA3 0.335 4.293 3.960 -0.002 0.000 0.287 87 G C -0.124 174.916 174.900 0.233 0.000 1.350 87 G CA -0.614 44.615 45.100 0.215 0.000 1.039 87 G HN 0.361 nan 8.290 nan 0.000 0.513 88 V N 0.691 120.735 119.914 0.215 0.000 2.644 88 V HA 0.329 4.448 4.120 -0.002 0.000 0.305 88 V C 1.128 177.414 176.094 0.319 0.000 1.053 88 V CA 0.296 62.734 62.300 0.229 0.000 1.186 88 V CB -0.028 31.900 31.823 0.175 0.000 0.895 88 V HN 0.920 nan 8.190 nan 0.000 0.490 89 A N 8.167 131.172 122.820 0.308 0.000 2.252 89 A HA 0.850 5.169 4.320 -0.002 0.000 0.305 89 A C -2.177 175.660 177.584 0.421 0.000 1.097 89 A CA -1.686 50.554 52.037 0.339 0.000 0.849 89 A CB 0.530 19.663 19.000 0.223 0.000 1.142 89 A HN 0.707 nan 8.150 nan 0.000 0.499 90 P HA 0.302 nan 4.420 nan 0.000 0.276 90 P C -0.025 177.323 177.300 0.080 0.000 1.252 90 P CA -0.415 62.850 63.100 0.275 0.000 0.802 90 P CB 0.743 32.448 31.700 0.009 0.000 1.035 91 R N 0.837 121.334 120.500 -0.006 0.000 2.237 91 R HA -0.017 4.322 4.340 -0.002 0.000 0.219 91 R C 2.021 178.271 176.300 -0.084 0.000 1.080 91 R CA 1.200 57.236 56.100 -0.106 0.000 0.995 91 R CB -0.723 29.461 30.300 -0.192 0.000 0.875 91 R HN 0.520 nan 8.270 nan 0.000 0.462 92 A N 0.843 123.578 122.820 -0.143 0.000 2.125 92 A HA -0.144 4.175 4.320 -0.002 0.000 0.219 92 A C 1.789 179.394 177.584 0.036 0.000 1.156 92 A CA 1.156 53.093 52.037 -0.168 0.000 0.671 92 A CB -0.037 18.463 19.000 -0.834 0.000 0.794 92 A HN 0.139 nan 8.150 nan 0.000 0.459 93 K N -1.316 119.109 120.400 0.042 0.000 2.469 93 K HA 0.233 4.552 4.320 -0.002 0.000 0.204 93 K C 0.989 177.593 176.600 0.006 0.000 1.047 93 K CA -0.238 56.057 56.287 0.013 0.000 1.072 93 K CB 0.068 32.574 32.500 0.010 0.000 0.863 93 K HN 0.206 nan 8.250 nan 0.000 0.530 94 M N 1.223 120.828 119.600 0.008 0.000 2.080 94 M HA -0.188 4.290 4.480 -0.002 0.000 0.260 94 M C 1.807 178.101 176.300 -0.010 0.000 1.068 94 M CA 1.496 56.801 55.300 0.009 0.000 1.109 94 M CB -1.210 31.385 32.600 -0.008 0.000 1.342 94 M HN 0.282 nan 8.290 nan 0.000 0.405 95 N N 0.121 118.818 118.700 -0.004 0.000 2.166 95 N HA -0.191 4.548 4.740 -0.002 0.000 0.186 95 N C 1.751 177.221 175.510 -0.067 0.000 1.019 95 N CA 1.171 54.187 53.050 -0.057 0.000 0.856 95 N CB -0.014 38.432 38.487 -0.068 0.000 0.993 95 N HN 0.496 nan 8.380 nan 0.000 0.426 96 Q N 0.517 120.288 119.800 -0.048 0.000 2.123 96 Q HA -0.103 4.236 4.340 -0.002 0.000 0.199 96 Q C 1.910 177.887 176.000 -0.039 0.000 0.966 96 Q CA 0.986 56.757 55.803 -0.053 0.000 0.845 96 Q CB 0.103 28.793 28.738 -0.080 0.000 0.907 96 Q HN 0.496 nan 8.270 nan 0.000 0.439 97 Q N -0.095 119.688 119.800 -0.027 0.000 2.030 97 Q HA -0.197 4.141 4.340 -0.002 0.000 0.204 97 Q C 2.222 178.214 176.000 -0.013 0.000 0.986 97 Q CA 1.605 57.404 55.803 -0.007 0.000 0.843 97 Q CB -0.062 28.686 28.738 0.018 0.000 0.904 97 Q HN 0.293 nan 8.270 nan 0.000 0.420 98 R N 0.092 120.571 120.500 -0.036 0.000 2.070 98 R HA -0.131 4.208 4.340 -0.002 0.000 0.233 98 R C 2.384 178.681 176.300 -0.005 0.000 1.137 98 R CA 1.147 57.211 56.100 -0.060 0.000 0.945 98 R CB -0.611 29.616 30.300 -0.122 0.000 0.845 98 R HN 0.234 nan 8.270 nan 0.000 0.430 99 A N 1.619 124.435 122.820 -0.006 0.000 1.884 99 A HA -0.276 4.043 4.320 -0.002 0.000 0.219 99 A C 2.216 179.831 177.584 0.052 0.000 1.197 99 A CA 1.853 53.914 52.037 0.040 0.000 0.637 99 A CB -0.688 18.315 19.000 0.005 0.000 0.827 99 A HN 0.295 nan 8.150 nan 0.000 0.450 100 R N -1.006 119.500 120.500 0.009 0.000 2.082 100 R HA -0.213 4.126 4.340 -0.002 0.000 0.234 100 R C 2.440 178.742 176.300 0.003 0.000 1.136 100 R CA 1.979 58.072 56.100 -0.012 0.000 0.935 100 R CB -0.275 30.006 30.300 -0.032 0.000 0.842 100 R HN 0.417 nan 8.270 nan 0.000 0.430 101 R N -0.155 120.360 120.500 0.024 0.000 2.115 101 R HA -0.186 4.153 4.340 -0.002 0.000 0.239 101 R C 2.059 178.416 176.300 0.095 0.000 1.133 101 R CA 2.128 58.253 56.100 0.043 0.000 0.935 101 R CB -1.055 29.265 30.300 0.033 0.000 0.853 101 R HN 0.245 nan 8.270 nan 0.000 0.433 102 F N 1.043 120.955 119.950 -0.063 0.000 2.026 102 F HA -0.179 4.347 4.527 -0.002 0.000 0.296 102 F C 2.196 177.968 175.800 -0.047 0.000 1.133 102 F CA 1.774 59.741 58.000 -0.056 0.000 1.188 102 F CB -0.490 38.474 39.000 -0.058 0.000 0.968 102 F HN -0.075 nan 8.300 nan 0.000 0.476 103 R N -0.720 119.727 120.500 -0.089 0.000 2.341 103 R HA -0.080 4.259 4.340 -0.002 0.000 0.213 103 R C 1.006 177.214 176.300 -0.153 0.000 1.082 103 R CA 1.506 57.491 56.100 -0.192 0.000 1.017 103 R CB -0.282 29.959 30.300 -0.097 0.000 0.860 103 R HN 0.328 nan 8.270 nan 0.000 0.473 104 T N -1.747 112.742 114.554 -0.108 0.000 3.054 104 T HA 0.246 4.595 4.350 -0.002 0.000 0.255 104 T C 1.159 175.808 174.700 -0.086 0.000 1.035 104 T CA 0.317 62.359 62.100 -0.097 0.000 0.941 104 T CB 1.037 69.852 68.868 -0.088 0.000 1.026 104 T HN 0.235 nan 8.240 nan 0.000 0.533 105 A N 1.403 124.164 122.820 -0.098 0.000 1.901 105 A HA 0.349 4.668 4.320 -0.002 0.000 0.210 105 A C 2.128 179.635 177.584 -0.127 0.000 1.208 105 A CA 0.299 52.289 52.037 -0.079 0.000 0.644 105 A CB -0.471 18.520 19.000 -0.015 0.000 0.863 105 A HN 0.357 nan 8.150 nan 0.000 0.454 106 M N 0.156 119.610 119.600 -0.243 0.000 2.315 106 M HA -0.220 4.259 4.480 -0.002 0.000 0.264 106 M C 1.567 177.777 176.300 -0.150 0.000 1.075 106 M CA 2.521 57.678 55.300 -0.240 0.000 1.093 106 M CB -0.574 31.798 32.600 -0.379 0.000 1.251 106 M HN 0.372 nan 8.290 nan 0.000 0.449 107 D N 0.582 120.892 120.400 -0.149 0.000 2.157 107 D HA -0.202 4.437 4.640 -0.002 0.000 0.191 107 D C 1.842 178.097 176.300 -0.074 0.000 1.004 107 D CA 1.866 55.806 54.000 -0.101 0.000 0.854 107 D CB -0.576 40.166 40.800 -0.097 0.000 0.936 107 D HN 0.544 nan 8.370 nan 0.000 0.446 108 A N 0.847 123.623 122.820 -0.074 0.000 1.851 108 A HA -0.268 4.051 4.320 -0.002 0.000 0.216 108 A C 2.121 179.683 177.584 -0.035 0.000 1.195 108 A CA 2.159 54.168 52.037 -0.046 0.000 0.622 108 A CB -0.816 18.161 19.000 -0.039 0.000 0.831 108 A HN 0.328 nan 8.150 nan 0.000 0.444 109 E N -0.264 119.910 120.200 -0.043 0.000 1.984 109 E HA -0.285 4.064 4.350 -0.002 0.000 0.203 109 E C 2.069 178.648 176.600 -0.035 0.000 0.998 109 E CA 1.684 58.063 56.400 -0.035 0.000 0.865 109 E CB -0.285 29.391 29.700 -0.039 0.000 0.806 109 E HN 0.486 nan 8.360 nan 0.000 0.504 110 K N 0.266 120.638 120.400 -0.045 0.000 2.081 110 K HA -0.349 3.970 4.320 -0.002 0.000 0.222 110 K C 1.914 178.495 176.600 -0.032 0.000 1.055 110 K CA 2.258 58.520 56.287 -0.041 0.000 0.954 110 K CB -0.549 31.918 32.500 -0.056 0.000 0.732 110 K HN 0.258 nan 8.250 nan 0.000 0.458 111 A N 0.976 123.775 122.820 -0.034 0.000 1.825 111 A HA -0.053 4.266 4.320 -0.002 0.000 0.214 111 A C 1.842 179.417 177.584 -0.016 0.000 1.206 111 A CA 1.367 53.389 52.037 -0.025 0.000 0.609 111 A CB -0.552 18.431 19.000 -0.028 0.000 0.851 111 A HN 0.337 nan 8.150 nan 0.000 0.445 112 L N -0.244 120.972 121.223 -0.012 0.000 2.855 112 L HA 0.164 4.503 4.340 -0.002 0.000 0.245 112 L C 1.362 178.229 176.870 -0.004 0.000 1.276 112 L CA 0.573 55.411 54.840 -0.004 0.000 1.118 112 L CB -0.066 41.996 42.059 0.005 0.000 1.444 112 L HN 0.690 nan 8.230 nan 0.000 0.440 113 Q N -0.993 118.801 119.800 -0.009 0.000 2.061 113 Q HA 0.119 4.458 4.340 -0.002 0.000 0.159 113 Q C 1.646 177.642 176.000 -0.007 0.000 0.530 113 Q CA 0.252 56.050 55.803 -0.008 0.000 0.728 113 Q CB 0.192 28.923 28.738 -0.012 0.000 1.004 113 Q HN 0.031 nan 8.270 nan 0.000 0.426 114 K N 0.676 121.070 120.400 -0.010 0.000 2.155 114 K HA 0.266 4.585 4.320 -0.002 0.000 0.203 114 K C 0.425 177.020 176.600 -0.007 0.000 1.052 114 K CA 0.866 57.148 56.287 -0.008 0.000 0.948 114 K CB -0.095 32.399 32.500 -0.010 0.000 0.728 114 K HN 0.334 nan 8.250 nan 0.000 0.448 129 D N 2.254 122.314 120.400 -0.567 0.000 2.329 129 D HA 0.247 4.886 4.640 -0.002 0.000 0.232 129 D C 0.910 177.141 176.300 -0.116 0.000 1.088 129 D CA 0.534 54.383 54.000 -0.252 0.000 0.835 129 D CB 1.896 42.534 40.800 -0.269 0.000 1.078 129 D HN 0.530 nan 8.370 nan 0.000 0.495 130 S N 3.724 119.631 115.700 0.344 0.000 2.440 130 S HA -0.241 4.228 4.470 -0.002 0.000 0.240 130 S C 1.030 175.836 174.600 0.344 0.000 1.014 130 S CA 1.055 59.585 58.200 0.550 0.000 0.980 130 S CB -0.265 63.111 63.200 0.293 0.000 0.775 130 S HN 0.500 nan 8.310 nan 0.000 0.499 131 N N 1.957 120.740 118.700 0.137 0.000 2.461 131 N HA 0.336 5.075 4.740 -0.002 0.000 0.188 131 N C 1.533 177.097 175.510 0.089 0.000 1.134 131 N CA 0.770 53.886 53.050 0.110 0.000 0.878 131 N CB -0.597 37.918 38.487 0.046 0.000 0.972 131 N HN 0.586 nan 8.380 nan 0.000 0.456 132 A N 0.753 123.586 122.820 0.023 0.000 2.019 132 A HA -0.023 4.296 4.320 -0.002 0.000 0.219 132 A C 1.038 178.792 177.584 0.283 0.000 1.164 132 A CA 0.605 52.675 52.037 0.055 0.000 0.644 132 A CB -0.561 18.300 19.000 -0.232 0.000 0.805 132 A HN 0.284 nan 8.150 nan 0.000 0.449 133 I N 1.851 122.616 120.570 0.326 0.000 2.268 133 I HA 0.181 4.350 4.170 -0.002 0.000 0.298 133 I C -0.728 175.530 176.117 0.236 0.000 1.185 133 I CA 0.206 61.690 61.300 0.307 0.000 1.548 133 I CB -0.467 37.661 38.000 0.213 0.000 1.492 133 I HN -0.013 nan 8.210 nan 0.000 0.711 134 T N 3.895 118.549 114.554 0.167 0.000 3.291 134 T HA 0.241 4.590 4.350 -0.002 0.000 0.344 134 T C -2.763 171.985 174.700 0.080 0.000 1.293 134 T CA -1.090 61.092 62.100 0.136 0.000 1.108 134 T CB 1.977 70.918 68.868 0.121 0.000 1.231 134 T HN -0.011 nan 8.240 nan 0.000 0.474 135 P HA 0.266 nan 4.420 nan 0.000 0.265 135 P C 1.137 178.490 177.300 0.089 0.000 1.187 135 P CA 1.131 64.264 63.100 0.055 0.000 0.766 135 P CB 0.247 32.074 31.700 0.212 0.000 0.820 136 G N 0.993 109.838 108.800 0.074 0.000 2.213 136 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.236 136 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.236 136 G C 0.300 175.329 174.900 0.216 0.000 0.991 136 G CA 0.221 45.423 45.100 0.170 0.000 0.629 136 G HN 0.664 nan 8.290 nan 0.000 0.517 137 T N 0.725 115.354 114.554 0.125 0.000 2.802 137 T HA 0.399 4.747 4.350 -0.002 0.000 0.305 137 T C 1.374 176.162 174.700 0.146 0.000 1.053 137 T CA 0.590 62.770 62.100 0.134 0.000 1.058 137 T CB 1.244 70.195 68.868 0.137 0.000 0.988 137 T HN 0.341 nan 8.240 nan 0.000 0.539 138 E N -0.094 120.194 120.200 0.147 0.000 2.153 138 E HA -0.105 4.244 4.350 -0.002 0.000 0.194 138 E C 1.474 178.180 176.600 0.177 0.000 0.988 138 E CA 0.835 57.322 56.400 0.144 0.000 0.811 138 E CB -0.204 29.565 29.700 0.115 0.000 0.746 138 E HN 0.627 nan 8.360 nan 0.000 0.466 139 F N 0.853 120.844 119.950 0.067 0.000 2.163 139 F HA -0.108 4.418 4.527 -0.002 0.000 0.297 139 F C 2.053 177.930 175.800 0.129 0.000 1.094 139 F CA 1.037 59.106 58.000 0.115 0.000 1.290 139 F CB 0.020 39.108 39.000 0.146 0.000 1.017 139 F HN -0.063 nan 8.300 nan 0.000 0.483 140 M N 0.278 119.878 119.600 0.001 0.000 2.346 140 M HA -0.127 4.352 4.480 -0.002 0.000 0.263 140 M C 2.308 178.609 176.300 0.002 0.000 1.064 140 M CA 1.400 56.578 55.300 -0.204 0.000 1.083 140 M CB -1.744 30.543 32.600 -0.523 0.000 1.399 140 M HN 0.347 nan 8.290 nan 0.000 0.435 141 A N -0.798 122.062 122.820 0.066 0.000 1.970 141 A HA -0.120 4.199 4.320 -0.002 0.000 0.216 141 A C 2.229 179.853 177.584 0.066 0.000 1.170 141 A CA 1.434 53.568 52.037 0.162 0.000 0.645 141 A CB -0.284 18.799 19.000 0.139 0.000 0.816 141 A HN 0.335 nan 8.150 nan 0.000 0.447 142 K N -0.001 120.371 120.400 -0.046 0.000 2.116 142 K HA 0.077 4.396 4.320 -0.002 0.000 0.203 142 K C 1.749 178.216 176.600 -0.222 0.000 1.052 142 K CA 0.982 57.193 56.287 -0.126 0.000 0.952 142 K CB -0.529 31.891 32.500 -0.134 0.000 0.729 142 K HN 0.393 nan 8.250 nan 0.000 0.446 143 L N 0.491 121.564 121.223 -0.249 0.000 1.978 143 L HA -0.270 4.069 4.340 -0.002 0.000 0.218 143 L C 1.708 178.622 176.870 0.074 0.000 1.075 143 L CA 2.362 57.166 54.840 -0.060 0.000 0.767 143 L CB -0.860 41.185 42.059 -0.023 0.000 0.890 143 L HN 0.231 nan 8.230 nan 0.000 0.434 144 T N -0.931 113.724 114.554 0.169 0.000 2.849 144 T HA -0.224 4.125 4.350 -0.002 0.000 0.270 144 T C 1.730 176.492 174.700 0.104 0.000 1.066 144 T CA 1.584 63.794 62.100 0.184 0.000 1.130 144 T CB -0.224 68.777 68.868 0.222 0.000 0.864 144 T HN 0.464 nan 8.240 nan 0.000 0.481 145 E N 0.465 120.702 120.200 0.062 0.000 2.158 145 E HA -0.095 4.253 4.350 -0.002 0.000 0.191 145 E C 1.941 178.574 176.600 0.055 0.000 0.982 145 E CA 0.530 56.967 56.400 0.062 0.000 0.823 145 E CB 0.121 29.826 29.700 0.008 0.000 0.766 145 E HN 0.314 nan 8.360 nan 0.000 0.468 146 N N 0.552 119.230 118.700 -0.037 0.000 2.132 146 N HA -0.074 4.665 4.740 -0.002 0.000 0.187 146 N C 1.959 177.601 175.510 0.220 0.000 1.038 146 N CA 0.696 53.733 53.050 -0.021 0.000 0.846 146 N CB -0.379 37.849 38.487 -0.431 0.000 1.012 146 N HN 0.110 nan 8.380 nan 0.000 0.429 147 L N 1.179 122.514 121.223 0.187 0.000 2.127 147 L HA -0.145 4.194 4.340 -0.002 0.000 0.211 147 L C 2.114 178.877 176.870 -0.178 0.000 1.089 147 L CA 1.182 56.056 54.840 0.056 0.000 0.757 147 L CB -0.194 41.834 42.059 -0.053 0.000 0.899 147 L HN 0.166 nan 8.230 nan 0.000 0.434 148 K N -1.026 119.322 120.400 -0.086 0.000 2.148 148 K HA -0.212 4.107 4.320 -0.002 0.000 0.204 148 K C 2.050 178.615 176.600 -0.058 0.000 1.050 148 K CA 1.466 57.745 56.287 -0.014 0.000 0.942 148 K CB -0.120 32.526 32.500 0.243 0.000 0.724 148 K HN 0.328 nan 8.250 nan 0.000 0.446 149 Y N -0.029 120.107 120.300 -0.274 0.000 2.314 149 Y HA -0.154 4.395 4.550 -0.002 0.000 0.294 149 Y C 1.938 177.542 175.900 -0.494 0.000 1.119 149 Y CA 0.652 58.407 58.100 -0.576 0.000 1.179 149 Y CB -0.315 37.955 38.460 -0.316 0.000 1.025 149 Y HN -0.027 nan 8.280 nan 0.000 0.541 150 F N 1.419 120.863 119.950 -0.843 0.000 2.043 150 F HA -0.312 4.214 4.527 -0.002 0.000 0.297 150 F C 1.935 177.132 175.800 -1.006 0.000 1.118 150 F CA 2.114 59.365 58.000 -1.248 0.000 1.202 150 F CB -0.888 37.062 39.000 -1.750 0.000 0.965 150 F HN 0.131 nan 8.300 nan 0.000 0.482 151 I N -0.766 119.162 120.570 -1.070 0.000 2.252 151 I HA -0.313 3.856 4.170 -0.002 0.000 0.245 151 I C 2.388 177.972 176.117 -0.887 0.000 1.102 151 I CA 1.593 62.210 61.300 -1.139 0.000 1.385 151 I CB -0.810 36.513 38.000 -1.128 0.000 1.064 151 I HN 0.158 nan 8.210 nan 0.000 0.414 152 H N 0.239 118.878 119.070 -0.718 0.000 2.352 152 H HA -0.234 4.321 4.556 -0.002 0.000 0.299 152 H C 1.965 176.868 175.328 -0.709 0.000 1.097 152 H CA 2.177 57.890 56.048 -0.558 0.000 1.311 152 H CB -0.212 29.296 29.762 -0.423 0.000 1.377 152 H HN 0.294 nan 8.280 nan 0.000 0.504 153 D N 0.294 120.258 120.400 -0.726 0.000 2.103 153 D HA -0.162 4.476 4.640 -0.002 0.000 0.190 153 D C 1.890 177.773 176.300 -0.696 0.000 0.997 153 D CA 1.293 54.872 54.000 -0.702 0.000 0.833 153 D CB 0.092 40.401 40.800 -0.818 0.000 0.961 153 D HN 0.049 nan 8.370 nan 0.000 0.447 154 K N 0.491 120.279 120.400 -1.021 0.000 1.987 154 K HA -0.120 4.199 4.320 -0.002 0.000 0.216 154 K C 2.307 178.509 176.600 -0.663 0.000 1.051 154 K CA 0.672 56.265 56.287 -1.157 0.000 0.942 154 K CB -1.015 30.093 32.500 -2.320 0.000 0.722 154 K HN 0.310 nan 8.250 nan 0.000 0.444 155 I N 1.529 121.804 120.570 -0.492 0.000 2.236 155 I HA -0.277 3.892 4.170 -0.002 0.000 0.249 155 I C 2.059 178.070 176.117 -0.177 0.000 1.102 155 I CA 1.595 62.768 61.300 -0.210 0.000 1.365 155 I CB -1.355 36.589 38.000 -0.092 0.000 1.051 155 I HN 0.211 nan 8.210 nan 0.000 0.420 156 T N 0.581 115.004 114.554 -0.219 0.000 2.812 156 T HA -0.099 4.250 4.350 -0.002 0.000 0.264 156 T C 1.655 176.279 174.700 -0.127 0.000 1.042 156 T CA 1.655 63.694 62.100 -0.102 0.000 1.140 156 T CB -0.173 68.553 68.868 -0.236 0.000 0.870 156 T HN 0.399 nan 8.240 nan 0.000 0.445 157 N N 0.159 118.722 118.700 -0.229 0.000 2.454 157 N HA 0.049 4.788 4.740 -0.002 0.000 0.177 157 N C 0.113 175.522 175.510 -0.169 0.000 1.049 157 N CA 0.109 53.047 53.050 -0.186 0.000 0.887 157 N CB 0.568 38.932 38.487 -0.205 0.000 1.095 157 N HN 0.167 nan 8.380 nan 0.000 0.446 158 D N 0.224 120.499 120.400 -0.208 0.000 2.329 158 D HA 0.073 4.712 4.640 -0.002 0.000 0.232 158 D C 0.720 176.991 176.300 -0.048 0.000 1.088 158 D CA -0.078 53.865 54.000 -0.094 0.000 0.835 158 D CB 1.321 42.039 40.800 -0.136 0.000 1.078 158 D HN 0.170 nan 8.370 nan 0.000 0.495 159 T N 2.567 117.115 114.554 -0.009 0.000 2.867 159 T HA -0.100 4.249 4.350 -0.002 0.000 0.268 159 T C 1.799 176.496 174.700 -0.006 0.000 1.057 159 T CA 0.610 62.672 62.100 -0.063 0.000 1.136 159 T CB 0.126 68.972 68.868 -0.036 0.000 0.874 159 T HN 0.356 nan 8.240 nan 0.000 0.466 160 R N 0.032 120.613 120.500 0.135 0.000 2.075 160 R HA -0.028 4.311 4.340 -0.002 0.000 0.232 160 R C 2.175 178.546 176.300 0.118 0.000 1.126 160 R CA 1.391 57.584 56.100 0.154 0.000 0.963 160 R CB -0.488 29.975 30.300 0.272 0.000 0.858 160 R HN 0.457 nan 8.270 nan 0.000 0.435 161 W N 2.174 123.364 121.300 -0.184 0.000 2.364 161 W HA -0.151 4.508 4.660 -0.002 0.000 0.281 161 W C 2.161 178.528 176.519 -0.253 0.000 1.219 161 W CA 1.221 58.337 57.345 -0.381 0.000 1.220 161 W CB -0.196 28.925 29.460 -0.564 0.000 1.127 161 W HN 0.284 nan 8.180 nan 0.000 0.556 162 Q N -0.904 118.848 119.800 -0.082 0.000 2.403 162 Q HA 0.062 4.400 4.340 -0.002 0.000 0.203 162 Q C 0.658 176.587 176.000 -0.118 0.000 0.932 162 Q CA 0.679 56.351 55.803 -0.218 0.000 0.945 162 Q CB -0.379 27.920 28.738 -0.731 0.000 1.045 162 Q HN 0.347 nan 8.270 nan 0.000 0.511 163 N N 1.051 119.715 118.700 -0.060 0.000 2.200 163 N HA 0.135 4.874 4.740 -0.002 0.000 0.224 163 N C -0.228 175.279 175.510 -0.006 0.000 1.179 163 N CA 0.211 53.244 53.050 -0.029 0.000 0.877 163 N CB 1.770 40.233 38.487 -0.041 0.000 1.072 163 N HN 0.138 nan 8.380 nan 0.000 0.519 164 V N -1.954 117.965 119.914 0.008 0.000 3.046 164 V HA 0.471 4.590 4.120 -0.002 0.000 0.316 164 V C 0.172 176.305 176.094 0.064 0.000 1.104 164 V CA -1.178 61.139 62.300 0.029 0.000 1.006 164 V CB 2.072 33.918 31.823 0.038 0.000 1.058 164 V HN -0.198 nan 8.190 nan 0.000 0.440 165 K N 1.325 121.777 120.400 0.087 0.000 2.349 165 K HA 0.496 4.815 4.320 -0.002 0.000 0.289 165 K C -0.942 175.740 176.600 0.137 0.000 1.064 165 K CA -0.171 56.185 56.287 0.116 0.000 0.947 165 K CB 1.176 33.753 32.500 0.129 0.000 1.007 165 K HN 0.604 nan 8.250 nan 0.000 0.478 166 V N 6.169 126.177 119.914 0.157 0.000 2.439 166 V HA 0.410 4.529 4.120 -0.002 0.000 0.282 166 V C 0.066 176.280 176.094 0.200 0.000 1.039 166 V CA -0.604 61.797 62.300 0.169 0.000 0.913 166 V CB 1.134 33.066 31.823 0.182 0.000 0.983 166 V HN 0.612 nan 8.190 nan 0.000 0.460 167 I N 5.052 125.655 120.570 0.055 0.000 2.534 167 I HA 0.370 4.539 4.170 -0.002 0.000 0.286 167 I C -1.090 174.948 176.117 -0.133 0.000 1.094 167 I CA -0.170 61.127 61.300 -0.005 0.000 1.055 167 I CB 1.942 39.863 38.000 -0.131 0.000 1.225 167 I HN 0.531 nan 8.210 nan 0.000 0.435 168 F N 5.617 125.551 119.950 -0.027 0.000 2.415 168 F HA 0.477 5.003 4.527 -0.002 0.000 0.348 168 F C 0.369 176.092 175.800 -0.127 0.000 1.119 168 F CA -0.254 57.707 58.000 -0.065 0.000 1.069 168 F CB 1.352 40.484 39.000 0.219 0.000 1.124 168 F HN 0.359 nan 8.300 nan 0.000 0.472 169 S N 5.236 120.476 115.700 -0.766 0.000 2.474 169 S HA 0.536 5.005 4.470 -0.002 0.000 0.320 169 S C 0.316 174.351 174.600 -0.942 0.000 1.067 169 S CA -0.421 57.416 58.200 -0.605 0.000 1.127 169 S CB -0.032 62.988 63.200 -0.300 0.000 0.971 169 S HN 0.978 nan 8.310 nan 0.000 0.472 170 G N 2.600 110.865 108.800 -0.892 0.000 2.570 170 G HA2 0.185 4.144 3.960 -0.002 0.000 0.276 170 G HA3 0.185 4.144 3.960 -0.002 0.000 0.276 170 G C 0.629 175.376 174.900 -0.255 0.000 1.346 170 G CA 0.014 44.737 45.100 -0.628 0.000 1.034 170 G HN 1.018 nan 8.290 nan 0.000 0.512 171 H N -2.054 117.038 119.070 0.036 0.000 2.495 171 H HA 0.070 4.625 4.556 -0.002 0.000 0.287 171 H C 1.833 177.221 175.328 0.100 0.000 1.033 171 H CA 1.308 57.409 56.048 0.089 0.000 1.307 171 H CB -0.095 29.747 29.762 0.133 0.000 1.401 171 H HN 0.482 nan 8.280 nan 0.000 0.555 172 E N 0.737 120.777 120.200 -0.266 0.000 2.339 172 E HA -0.055 4.294 4.350 -0.002 0.000 0.201 172 E C -0.100 176.530 176.600 0.050 0.000 1.015 172 E CA 1.030 57.403 56.400 -0.044 0.000 0.841 172 E CB 0.059 29.691 29.700 -0.113 0.000 0.754 172 E HN 0.358 nan 8.360 nan 0.000 0.508 173 V N 2.565 122.476 119.914 -0.004 0.000 2.334 173 V HA 0.207 4.326 4.120 -0.002 0.000 0.281 173 V C -2.342 173.748 176.094 -0.007 0.000 1.016 173 V CA -2.232 60.051 62.300 -0.029 0.000 0.832 173 V CB 1.403 33.208 31.823 -0.031 0.000 0.999 173 V HN -0.045 nan 8.190 nan 0.000 0.439 174 P HA 0.285 nan 4.420 nan 0.000 0.258 174 P C 0.265 177.773 177.300 0.347 0.000 1.187 174 P CA 0.943 64.018 63.100 -0.041 0.000 0.767 174 P CB 0.508 31.905 31.700 -0.505 0.000 0.770 175 G N 2.188 111.222 108.800 0.389 0.000 2.326 175 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.478 175 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.478 175 G C -1.060 174.012 174.900 0.286 0.000 1.551 175 G CA -0.910 44.406 45.100 0.358 0.000 0.946 175 G HN 0.404 nan 8.290 nan 0.000 0.671 176 E N -0.190 120.182 120.200 0.287 0.000 2.438 176 E HA 0.330 4.679 4.350 -0.002 0.000 0.261 176 E C 1.688 178.443 176.600 0.259 0.000 1.103 176 E CA 0.499 57.068 56.400 0.282 0.000 0.959 176 E CB 0.806 30.709 29.700 0.338 0.000 0.958 176 E HN 0.710 nan 8.360 nan 0.000 0.447 177 G N 1.404 110.334 108.800 0.218 0.000 2.434 177 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.214 177 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.214 177 G C 1.209 176.214 174.900 0.174 0.000 1.202 177 G CA 0.692 45.906 45.100 0.190 0.000 0.788 177 G HN 0.532 nan 8.290 nan 0.000 0.539 178 Q N -0.553 119.352 119.800 0.175 0.000 2.045 178 Q HA -0.353 3.986 4.340 -0.002 0.000 0.215 178 Q C 2.275 178.334 176.000 0.098 0.000 1.026 178 Q CA 2.334 58.222 55.803 0.142 0.000 0.885 178 Q CB -0.410 28.447 28.738 0.197 0.000 0.984 178 Q HN 0.743 nan 8.270 nan 0.000 0.414 179 H N 0.151 119.253 119.070 0.054 0.000 2.387 179 H HA -0.088 4.467 4.556 -0.002 0.000 0.299 179 H C 1.788 177.060 175.328 -0.093 0.000 1.099 179 H CA 1.931 57.922 56.048 -0.095 0.000 1.315 179 H CB 0.188 29.893 29.762 -0.095 0.000 1.380 179 H HN 0.073 nan 8.280 nan 0.000 0.513 180 K N -0.400 119.989 120.400 -0.017 0.000 2.103 180 K HA -0.027 4.292 4.320 -0.002 0.000 0.204 180 K C 2.234 178.762 176.600 -0.120 0.000 1.052 180 K CA 1.135 57.406 56.287 -0.026 0.000 0.945 180 K CB 0.043 32.644 32.500 0.168 0.000 0.722 180 K HN 0.273 nan 8.250 nan 0.000 0.443 181 I N 1.128 121.607 120.570 -0.152 0.000 2.127 181 I HA -0.350 3.819 4.170 -0.002 0.000 0.241 181 I C 2.306 178.181 176.117 -0.405 0.000 1.075 181 I CA 1.323 62.386 61.300 -0.396 0.000 1.334 181 I CB -0.175 37.671 38.000 -0.257 0.000 1.040 181 I HN 0.200 nan 8.210 nan 0.000 0.405 182 M N -0.647 118.758 119.600 -0.324 0.000 2.213 182 M HA -0.227 4.252 4.480 -0.002 0.000 0.263 182 M C 1.782 177.872 176.300 -0.349 0.000 1.062 182 M CA 1.595 56.693 55.300 -0.337 0.000 1.105 182 M CB -1.221 31.186 32.600 -0.323 0.000 1.385 182 M HN 0.221 nan 8.290 nan 0.000 0.417 183 D N -0.339 119.834 120.400 -0.378 0.000 2.117 183 D HA -0.168 4.471 4.640 -0.002 0.000 0.197 183 D C 1.833 178.035 176.300 -0.165 0.000 0.987 183 D CA 1.111 54.930 54.000 -0.301 0.000 0.829 183 D CB -0.124 40.508 40.800 -0.281 0.000 0.961 183 D HN 0.419 nan 8.370 nan 0.000 0.460 184 Y N 0.294 120.418 120.300 -0.293 0.000 2.243 184 Y HA -0.019 4.530 4.550 -0.002 0.000 0.293 184 Y C 2.030 177.796 175.900 -0.224 0.000 1.124 184 Y CA 1.036 58.987 58.100 -0.248 0.000 1.159 184 Y CB -0.103 38.099 38.460 -0.429 0.000 1.008 184 Y HN -0.084 nan 8.280 nan 0.000 0.527 185 I N 0.338 120.834 120.570 -0.123 0.000 2.091 185 I HA -0.389 3.780 4.170 -0.002 0.000 0.239 185 I C 2.570 178.556 176.117 -0.218 0.000 1.061 185 I CA 1.805 63.026 61.300 -0.131 0.000 1.317 185 I CB -0.469 37.405 38.000 -0.210 0.000 1.031 185 I HN 0.124 nan 8.210 nan 0.000 0.401 186 R N 0.374 120.729 120.500 -0.242 0.000 2.103 186 R HA -0.211 4.128 4.340 -0.002 0.000 0.242 186 R C 2.380 178.585 176.300 -0.158 0.000 1.142 186 R CA 1.631 57.600 56.100 -0.218 0.000 0.960 186 R CB -0.520 29.652 30.300 -0.213 0.000 0.858 186 R HN 0.456 nan 8.270 nan 0.000 0.439 187 A N 1.556 124.265 122.820 -0.185 0.000 1.873 187 A HA -0.156 4.163 4.320 -0.002 0.000 0.215 187 A C 2.198 179.607 177.584 -0.292 0.000 1.186 187 A CA 1.609 53.517 52.037 -0.215 0.000 0.616 187 A CB -0.610 18.255 19.000 -0.224 0.000 0.823 187 A HN 0.454 nan 8.150 nan 0.000 0.442 188 I N -1.102 119.241 120.570 -0.378 0.000 2.315 188 I HA -0.249 3.920 4.170 -0.002 0.000 0.248 188 I C 2.238 178.113 176.117 -0.404 0.000 1.117 188 I CA 1.787 62.916 61.300 -0.285 0.000 1.404 188 I CB -0.511 37.388 38.000 -0.168 0.000 1.071 188 I HN 0.353 nan 8.210 nan 0.000 0.419 189 R N 2.143 122.234 120.500 -0.681 0.000 2.237 189 R HA 0.129 4.468 4.340 -0.002 0.000 0.219 189 R C 2.107 178.046 176.300 -0.601 0.000 1.080 189 R CA 1.053 56.417 56.100 -1.228 0.000 0.995 189 R CB -0.705 28.974 30.300 -1.035 0.000 0.875 189 R HN 0.449 nan 8.270 nan 0.000 0.462 190 A N 1.341 123.945 122.820 -0.360 0.000 2.066 190 A HA -0.017 4.301 4.320 -0.002 0.000 0.218 190 A C 0.740 178.221 177.584 -0.171 0.000 1.157 190 A CA 0.423 52.317 52.037 -0.239 0.000 0.670 190 A CB -0.018 18.829 19.000 -0.254 0.000 0.804 190 A HN 0.210 nan 8.150 nan 0.000 0.453 191 Q N 0.128 119.843 119.800 -0.142 0.000 2.454 191 Q HA 0.109 4.448 4.340 -0.002 0.000 0.247 191 Q C 0.472 176.478 176.000 0.010 0.000 1.028 191 Q CA -0.107 55.663 55.803 -0.054 0.000 0.910 191 Q CB 0.411 29.141 28.738 -0.014 0.000 1.276 191 Q HN 0.395 nan 8.270 nan 0.000 0.489 192 E N 1.122 121.327 120.200 0.009 0.000 2.158 192 E HA -0.118 4.231 4.350 -0.002 0.000 0.191 192 E C 0.770 177.400 176.600 0.050 0.000 0.982 192 E CA 0.821 57.236 56.400 0.025 0.000 0.823 192 E CB 0.199 29.901 29.700 0.003 0.000 0.766 192 E HN 0.624 nan 8.360 nan 0.000 0.468 193 D N -0.654 119.776 120.400 0.050 0.000 2.319 193 D HA -0.134 4.505 4.640 -0.002 0.000 0.230 193 D C 0.340 176.683 176.300 0.072 0.000 1.094 193 D CA -0.452 53.572 54.000 0.041 0.000 0.856 193 D CB -0.944 39.867 40.800 0.018 0.000 0.915 193 D HN 0.020 nan 8.370 nan 0.000 0.517 194 Y N 2.649 122.936 120.300 -0.022 0.000 2.620 194 Y HA 0.028 4.577 4.550 -0.002 0.000 0.330 194 Y C 0.515 176.410 175.900 -0.009 0.000 1.186 194 Y CA -0.698 57.394 58.100 -0.013 0.000 1.467 194 Y CB 0.170 38.624 38.460 -0.009 0.000 1.262 194 Y HN -0.022 nan 8.280 nan 0.000 0.550 195 N N 8.528 126.875 118.700 -0.589 0.000 2.416 195 N HA 0.043 4.782 4.740 -0.002 0.000 0.265 195 N C -1.978 173.094 175.510 -0.730 0.000 1.195 195 N CA -1.289 51.438 53.050 -0.537 0.000 0.943 195 N CB 1.072 39.331 38.487 -0.380 0.000 1.115 195 N HN 0.459 nan 8.380 nan 0.000 0.481 196 P HA -0.070 nan 4.420 nan 0.000 0.223 196 P C -0.513 176.728 177.300 -0.098 0.000 1.144 196 P CA 1.137 64.168 63.100 -0.114 0.000 0.783 196 P CB 0.175 31.861 31.700 -0.023 0.000 0.771 197 N N -0.777 117.790 118.700 -0.222 0.000 2.696 197 N HA 0.107 4.846 4.740 -0.002 0.000 0.308 197 N C -0.572 174.708 175.510 -0.383 0.000 1.915 197 N CA 0.078 52.959 53.050 -0.281 0.000 0.906 197 N CB 0.493 38.767 38.487 -0.355 0.000 1.284 197 N HN -0.077 nan 8.380 nan 0.000 0.488 198 T N 0.912 115.311 114.554 -0.259 0.000 2.817 198 T HA 0.296 4.645 4.350 -0.002 0.000 0.293 198 T C 0.729 175.274 174.700 -0.258 0.000 0.964 198 T CA -0.274 61.646 62.100 -0.299 0.000 1.085 198 T CB 1.314 70.008 68.868 -0.290 0.000 0.921 198 T HN 0.043 nan 8.240 nan 0.000 0.502 199 R N 2.626 122.953 120.500 -0.287 0.000 2.234 199 R HA 0.349 4.688 4.340 -0.002 0.000 0.324 199 R C -0.567 175.677 176.300 -0.094 0.000 1.054 199 R CA -0.365 55.662 56.100 -0.122 0.000 0.912 199 R CB 0.319 30.556 30.300 -0.104 0.000 1.030 199 R HN 0.663 nan 8.270 nan 0.000 0.455 200 H N 0.382 119.492 119.070 0.067 0.000 2.524 200 H HA 0.428 4.983 4.556 -0.002 0.000 0.353 200 H C -0.967 174.183 175.328 -0.296 0.000 1.136 200 H CA -0.562 55.364 56.048 -0.203 0.000 1.193 200 H CB 1.830 31.140 29.762 -0.753 0.000 1.558 200 H HN 0.511 nan 8.280 nan 0.000 0.515 201 C N 5.295 124.493 119.300 -0.170 0.000 2.516 201 C HA 0.590 5.049 4.460 -0.002 0.000 0.338 201 C C -0.941 174.043 174.990 -0.010 0.000 1.132 201 C CA -0.556 58.328 59.018 -0.224 0.000 1.310 201 C CB -0.977 26.394 27.740 -0.615 0.000 1.898 201 C HN 0.817 nan 8.230 nan 0.000 0.452 202 I N 5.854 126.514 120.570 0.150 0.000 2.354 202 I HA 0.281 4.450 4.170 -0.002 0.000 0.292 202 I C -0.672 175.588 176.117 0.239 0.000 0.989 202 I CA -0.561 60.917 61.300 0.296 0.000 1.188 202 I CB 1.273 39.491 38.000 0.362 0.000 1.342 202 I HN 0.692 nan 8.210 nan 0.000 0.457 203 Y N 6.205 126.605 120.300 0.167 0.000 2.336 203 Y HA 0.667 5.216 4.550 -0.002 0.000 0.335 203 Y C 0.125 176.139 175.900 0.190 0.000 1.046 203 Y CA -0.526 57.676 58.100 0.170 0.000 1.198 203 Y CB 0.987 39.556 38.460 0.182 0.000 1.182 203 Y HN 0.561 nan 8.280 nan 0.000 0.502 204 G N 5.863 114.208 108.800 -0.759 0.000 2.702 204 G HA2 0.201 4.160 3.960 -0.002 0.000 0.296 204 G HA3 0.201 4.160 3.960 -0.002 0.000 0.296 204 G C -0.582 174.044 174.900 -0.457 0.000 1.463 204 G CA -0.799 43.864 45.100 -0.727 0.000 0.890 204 G HN 0.630 nan 8.290 nan 0.000 0.534 205 L N 0.352 121.386 121.223 -0.315 0.000 2.079 205 L HA -0.004 4.335 4.340 -0.002 0.000 0.210 205 L C 1.188 178.005 176.870 -0.087 0.000 1.081 205 L CA 1.516 56.284 54.840 -0.120 0.000 0.752 205 L CB -0.473 41.567 42.059 -0.032 0.000 0.896 205 L HN 0.612 nan 8.230 nan 0.000 0.433 206 D N 0.045 120.410 120.400 -0.059 0.000 2.401 206 D HA 0.103 4.742 4.640 -0.002 0.000 0.254 206 D C 1.160 177.474 176.300 0.024 0.000 1.192 206 D CA 0.615 54.613 54.000 -0.003 0.000 0.885 206 D CB 1.598 42.410 40.800 0.020 0.000 1.147 206 D HN 0.131 nan 8.370 nan 0.000 0.478 207 A N 4.667 127.524 122.820 0.062 0.000 1.948 207 A HA -0.249 4.070 4.320 -0.002 0.000 0.220 207 A C 1.756 179.436 177.584 0.159 0.000 1.177 207 A CA 1.621 53.757 52.037 0.164 0.000 0.636 207 A CB -0.364 18.823 19.000 0.313 0.000 0.815 207 A HN 0.680 nan 8.150 nan 0.000 0.449 208 D N -0.180 120.272 120.400 0.087 0.000 2.239 208 D HA -0.176 4.463 4.640 -0.002 0.000 0.202 208 D C 1.725 178.036 176.300 0.017 0.000 0.993 208 D CA 1.063 55.089 54.000 0.043 0.000 0.874 208 D CB -0.304 40.534 40.800 0.064 0.000 0.922 208 D HN 0.534 nan 8.370 nan 0.000 0.464 209 L N 0.103 121.353 121.223 0.044 0.000 2.093 209 L HA -0.117 4.221 4.340 -0.002 0.000 0.208 209 L C 2.438 179.335 176.870 0.045 0.000 1.085 209 L CA 0.409 55.270 54.840 0.035 0.000 0.755 209 L CB -0.186 41.910 42.059 0.063 0.000 0.904 209 L HN 0.029 nan 8.230 nan 0.000 0.435 210 I N 0.132 120.772 120.570 0.117 0.000 2.069 210 I HA -0.386 3.782 4.170 -0.002 0.000 0.237 210 I C 2.403 178.552 176.117 0.055 0.000 1.053 210 I CA 1.848 63.241 61.300 0.154 0.000 1.311 210 I CB -0.367 37.821 38.000 0.313 0.000 1.030 210 I HN 0.153 nan 8.210 nan 0.000 0.398 211 I N 0.478 121.064 120.570 0.027 0.000 2.118 211 I HA -0.343 3.826 4.170 -0.002 0.000 0.241 211 I C 2.531 178.524 176.117 -0.206 0.000 1.070 211 I CA 1.613 62.817 61.300 -0.160 0.000 1.327 211 I CB -0.638 37.104 38.000 -0.429 0.000 1.034 211 I HN 0.250 nan 8.210 nan 0.000 0.405 212 L N 0.761 121.881 121.223 -0.171 0.000 2.012 212 L HA -0.181 4.158 4.340 -0.002 0.000 0.210 212 L C 2.808 179.468 176.870 -0.350 0.000 1.073 212 L CA 1.795 56.492 54.840 -0.239 0.000 0.748 212 L CB -1.611 40.319 42.059 -0.215 0.000 0.891 212 L HN 0.386 nan 8.230 nan 0.000 0.431 213 G N 0.842 109.428 108.800 -0.356 0.000 2.586 213 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.218 213 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.218 213 G C 1.581 176.067 174.900 -0.690 0.000 1.216 213 G CA 1.069 45.723 45.100 -0.744 0.000 0.786 213 G HN 0.277 nan 8.290 nan 0.000 0.583 214 L N 1.464 122.461 121.223 -0.378 0.000 2.103 214 L HA -0.205 4.134 4.340 -0.002 0.000 0.215 214 L C 3.194 179.796 176.870 -0.447 0.000 1.080 214 L CA 1.785 56.431 54.840 -0.323 0.000 0.764 214 L CB -0.556 41.408 42.059 -0.159 0.000 0.890 214 L HN 0.485 nan 8.230 nan 0.000 0.435 215 S N -1.468 113.981 115.700 -0.418 0.000 2.515 215 S HA -0.129 4.340 4.470 -0.002 0.000 0.231 215 S C 1.945 176.354 174.600 -0.319 0.000 0.987 215 S CA 1.000 58.947 58.200 -0.423 0.000 0.936 215 S CB -0.692 62.154 63.200 -0.591 0.000 0.766 215 S HN 0.606 nan 8.310 nan 0.000 0.528 216 T N -1.514 112.814 114.554 -0.377 0.000 2.995 216 T HA -0.041 4.308 4.350 -0.002 0.000 0.269 216 T C 0.654 175.342 174.700 -0.020 0.000 1.091 216 T CA 0.903 62.857 62.100 -0.242 0.000 1.128 216 T CB -1.014 67.657 68.868 -0.329 0.000 0.891 216 T HN 0.653 nan 8.240 nan 0.000 0.492 217 H N 1.013 119.996 119.070 -0.145 0.000 2.791 217 H HA -0.102 4.453 4.556 -0.002 0.000 0.302 217 H C -1.149 174.208 175.328 0.048 0.000 1.198 217 H CA 0.872 56.901 56.048 -0.031 0.000 1.145 217 H CB -1.835 27.919 29.762 -0.013 0.000 1.385 217 H HN 0.514 nan 8.280 nan 0.000 0.409 218 D N 0.027 120.496 120.400 0.114 0.000 2.392 218 D HA 0.078 4.717 4.640 -0.002 0.000 0.228 218 D C 1.277 177.770 176.300 0.321 0.000 1.074 218 D CA -0.324 53.844 54.000 0.280 0.000 0.838 218 D CB 0.625 41.651 40.800 0.376 0.000 1.067 218 D HN 0.445 nan 8.370 nan 0.000 0.511 219 H N 2.899 122.077 119.070 0.181 0.000 2.423 219 H HA -0.069 4.486 4.556 -0.002 0.000 0.297 219 H C -0.085 175.201 175.328 -0.069 0.000 1.075 219 H CA 0.915 56.971 56.048 0.013 0.000 1.342 219 H CB 0.534 30.219 29.762 -0.128 0.000 1.395 219 H HN 0.464 nan 8.280 nan 0.000 0.530 220 H N -0.672 118.367 119.070 -0.052 0.000 2.788 220 H HA 0.083 4.638 4.556 -0.002 0.000 0.254 220 H C -1.205 174.221 175.328 0.164 0.000 1.541 220 H CA -0.178 55.671 56.048 -0.332 0.000 1.295 220 H CB -0.618 28.587 29.762 -0.929 0.000 1.592 220 H HN 0.113 nan 8.280 nan 0.000 0.545 221 F N 1.752 121.859 119.950 0.261 0.000 2.518 221 F HA 0.324 4.850 4.527 -0.002 0.000 0.323 221 F C -0.596 175.419 175.800 0.358 0.000 1.129 221 F CA -0.606 57.603 58.000 0.349 0.000 0.920 221 F CB 1.169 40.284 39.000 0.191 0.000 1.160 221 F HN 0.362 nan 8.300 nan 0.000 0.440 222 C N 5.317 124.853 119.300 0.393 0.000 2.614 222 C HA 0.725 5.184 4.460 -0.002 0.000 0.320 222 C C -0.616 174.504 174.990 0.216 0.000 1.200 222 C CA -1.099 58.081 59.018 0.270 0.000 1.700 222 C CB 1.629 29.458 27.740 0.149 0.000 2.275 222 C HN 0.663 nan 8.230 nan 0.000 0.492 223 L N 2.546 123.886 121.223 0.195 0.000 2.313 223 L HA 0.507 4.846 4.340 -0.002 0.000 0.283 223 L C -0.471 176.486 176.870 0.144 0.000 1.013 223 L CA -0.382 54.574 54.840 0.193 0.000 0.816 223 L CB 1.203 43.389 42.059 0.211 0.000 1.236 223 L HN 0.443 nan 8.230 nan 0.000 0.419 224 L N 4.977 126.294 121.223 0.157 0.000 2.281 224 L HA 0.493 4.832 4.340 -0.002 0.000 0.285 224 L C -0.300 176.803 176.870 0.388 0.000 1.074 224 L CA 0.383 55.369 54.840 0.243 0.000 0.817 224 L CB 0.237 42.425 42.059 0.216 0.000 1.168 224 L HN 0.548 nan 8.230 nan 0.000 0.434 225 R N 3.467 124.221 120.500 0.423 0.000 2.867 225 R HA 0.561 4.900 4.340 -0.002 0.000 0.268 225 R C -0.977 175.611 176.300 0.481 0.000 1.014 225 R CA -0.932 55.383 56.100 0.359 0.000 0.946 225 R CB 1.613 31.988 30.300 0.126 0.000 1.208 225 R HN 0.547 nan 8.270 nan 0.000 0.477 226 E N 1.391 121.764 120.200 0.289 0.000 2.318 226 E HA 0.066 4.415 4.350 -0.002 0.000 0.265 226 E C -0.546 176.129 176.600 0.124 0.000 1.069 226 E CA -0.620 55.802 56.400 0.035 0.000 0.893 226 E CB 1.047 30.721 29.700 -0.044 0.000 1.076 226 E HN 0.474 nan 8.360 nan 0.000 0.414 227 E N 1.103 121.423 120.200 0.199 0.000 2.481 227 E HA 0.033 4.382 4.350 -0.002 0.000 0.263 227 E C -0.999 175.628 176.600 0.046 0.000 0.992 227 E CA 0.066 56.635 56.400 0.281 0.000 0.938 227 E CB 0.618 30.526 29.700 0.347 0.000 0.933 227 E HN 0.213 nan 8.360 nan 0.000 0.453 228 V N 2.849 122.754 119.914 -0.014 0.000 2.925 228 V HA 0.181 4.300 4.120 -0.002 0.000 0.311 228 V C 0.539 176.621 176.094 -0.020 0.000 1.104 228 V CA -0.945 61.330 62.300 -0.041 0.000 0.954 228 V CB 1.492 33.243 31.823 -0.120 0.000 1.022 228 V HN 0.902 nan 8.190 nan 0.000 0.427 240 L N 1.147 122.276 121.223 -0.157 0.000 2.064 240 L HA -0.093 4.246 4.340 -0.002 0.000 0.216 240 L C 2.314 179.006 176.870 -0.297 0.000 1.077 240 L CA 2.124 56.766 54.840 -0.329 0.000 0.766 240 L CB -0.948 40.823 42.059 -0.479 0.000 0.890 240 L HN 0.882 nan 8.230 nan 0.000 0.435 241 E N -1.729 118.375 120.200 -0.159 0.000 2.478 241 E HA -0.073 4.276 4.350 -0.002 0.000 0.198 241 E C 1.788 178.398 176.600 0.016 0.000 1.046 241 E CA 1.068 57.445 56.400 -0.040 0.000 0.870 241 E CB -0.254 29.448 29.700 0.002 0.000 0.818 241 E HN 0.706 nan 8.360 nan 0.000 0.527 242 T N -4.229 110.323 114.554 -0.003 0.000 2.958 242 T HA 0.143 4.492 4.350 -0.002 0.000 0.256 242 T C 0.779 175.476 174.700 -0.005 0.000 0.983 242 T CA -0.466 61.641 62.100 0.011 0.000 0.924 242 T CB 0.088 68.963 68.868 0.012 0.000 1.136 242 T HN -0.130 nan 8.240 nan 0.000 0.506 243 Q N 2.403 122.183 119.800 -0.033 0.000 2.286 243 Q HA 0.183 4.522 4.340 -0.002 0.000 0.290 243 Q C -0.548 175.379 176.000 -0.120 0.000 1.049 243 Q CA -0.056 55.680 55.803 -0.112 0.000 0.923 243 Q CB 0.319 28.931 28.738 -0.211 0.000 1.183 243 Q HN 0.297 nan 8.270 nan 0.000 0.383 244 N N 2.384 120.984 118.700 -0.166 0.000 2.497 244 N HA 0.250 4.989 4.740 -0.002 0.000 0.271 244 N C -1.188 174.118 175.510 -0.341 0.000 1.142 244 N CA 0.347 53.285 53.050 -0.186 0.000 0.965 244 N CB 0.452 38.845 38.487 -0.157 0.000 1.077 244 N HN 0.298 nan 8.380 nan 0.000 0.462 245 F N 1.337 121.172 119.950 -0.191 0.000 2.561 245 F HA 0.566 5.092 4.527 -0.002 0.000 0.321 245 F C -0.214 175.394 175.800 -0.319 0.000 1.065 245 F CA -0.749 57.206 58.000 -0.075 0.000 0.934 245 F CB 1.196 40.218 39.000 0.038 0.000 1.215 245 F HN 0.223 nan 8.300 nan 0.000 0.471 246 F N 1.560 121.690 119.950 0.300 0.000 2.563 246 F HA 0.567 5.093 4.527 -0.002 0.000 0.316 246 F C -0.702 175.196 175.800 0.163 0.000 1.076 246 F CA -0.909 57.208 58.000 0.195 0.000 0.921 246 F CB 1.630 40.739 39.000 0.182 0.000 1.209 246 F HN 0.069 nan 8.300 nan 0.000 0.462 247 L N 3.727 125.125 121.223 0.292 0.000 2.262 247 L HA 0.422 4.761 4.340 -0.002 0.000 0.288 247 L C -0.630 176.320 176.870 0.133 0.000 1.035 247 L CA -0.574 54.335 54.840 0.115 0.000 0.820 247 L CB 1.305 43.354 42.059 -0.017 0.000 1.204 247 L HN 0.513 nan 8.230 nan 0.000 0.424 248 L N 4.162 125.476 121.223 0.151 0.000 2.331 248 L HA 0.275 4.614 4.340 -0.002 0.000 0.278 248 L C -0.263 176.683 176.870 0.128 0.000 1.106 248 L CA -0.282 54.688 54.840 0.215 0.000 0.824 248 L CB 0.344 42.560 42.059 0.261 0.000 1.142 248 L HN 0.513 nan 8.230 nan 0.000 0.443 249 H N 7.141 126.378 119.070 0.279 0.000 2.661 249 H HA 0.175 4.730 4.556 -0.002 0.000 0.290 249 H C 0.797 176.234 175.328 0.181 0.000 1.082 249 H CA -0.268 55.935 56.048 0.259 0.000 1.234 249 H CB 1.529 31.440 29.762 0.248 0.000 1.387 249 H HN 0.737 nan 8.280 nan 0.000 0.476 250 L N 1.984 123.371 121.223 0.274 0.000 2.191 250 L HA -0.224 4.115 4.340 -0.002 0.000 0.212 250 L C 2.593 179.497 176.870 0.056 0.000 1.103 250 L CA 1.333 56.270 54.840 0.161 0.000 0.769 250 L CB -0.200 41.946 42.059 0.146 0.000 0.908 250 L HN 0.501 nan 8.230 nan 0.000 0.438 251 S N 0.122 115.801 115.700 -0.035 0.000 2.359 251 S HA -0.245 4.224 4.470 -0.002 0.000 0.224 251 S C 1.995 176.525 174.600 -0.115 0.000 1.035 251 S CA 1.310 59.285 58.200 -0.376 0.000 1.018 251 S CB -0.514 62.317 63.200 -0.616 0.000 0.876 251 S HN 0.436 nan 8.310 nan 0.000 0.448 252 I N 0.338 120.867 120.570 -0.068 0.000 2.584 252 I HA -0.005 4.163 4.170 -0.002 0.000 0.255 252 I C 2.305 178.406 176.117 -0.025 0.000 1.145 252 I CA 0.695 61.925 61.300 -0.116 0.000 1.462 252 I CB -0.231 37.630 38.000 -0.232 0.000 1.102 252 I HN 0.347 nan 8.210 nan 0.000 0.433 253 L N 1.531 122.788 121.223 0.056 0.000 1.990 253 L HA -0.238 4.100 4.340 -0.002 0.000 0.213 253 L C 2.506 179.321 176.870 -0.092 0.000 1.072 253 L CA 1.933 56.776 54.840 0.005 0.000 0.755 253 L CB -0.924 41.164 42.059 0.047 0.000 0.889 253 L HN 0.122 nan 8.230 nan 0.000 0.432 254 R N -0.458 120.036 120.500 -0.009 0.000 2.154 254 R HA -0.199 4.140 4.340 -0.002 0.000 0.248 254 R C 2.147 178.363 176.300 -0.140 0.000 1.155 254 R CA 1.973 58.099 56.100 0.042 0.000 0.979 254 R CB -0.267 30.125 30.300 0.153 0.000 0.869 254 R HN 0.610 nan 8.270 nan 0.000 0.452 255 E N -1.049 119.035 120.200 -0.193 0.000 2.060 255 E HA -0.136 4.213 4.350 -0.002 0.000 0.189 255 E C 1.645 178.024 176.600 -0.368 0.000 0.974 255 E CA 0.742 56.954 56.400 -0.313 0.000 0.808 255 E CB -0.107 29.420 29.700 -0.289 0.000 0.768 255 E HN 0.295 nan 8.360 nan 0.000 0.453 256 Y N 1.485 121.561 120.300 -0.375 0.000 2.102 256 Y HA -0.274 4.275 4.550 -0.002 0.000 0.280 256 Y C 2.247 177.721 175.900 -0.708 0.000 1.178 256 Y CA 1.277 59.038 58.100 -0.566 0.000 1.146 256 Y CB -0.501 37.468 38.460 -0.818 0.000 0.968 256 Y HN 0.040 nan 8.280 nan 0.000 0.504 257 L N -1.278 119.624 121.223 -0.535 0.000 2.079 257 L HA -0.276 4.063 4.340 -0.002 0.000 0.210 257 L C 2.579 179.465 176.870 0.026 0.000 1.081 257 L CA 1.216 55.873 54.840 -0.306 0.000 0.752 257 L CB -0.803 41.263 42.059 0.011 0.000 0.896 257 L HN 0.259 nan 8.230 nan 0.000 0.433 258 A N -0.233 122.401 122.820 -0.309 0.000 1.968 258 A HA -0.101 4.218 4.320 -0.002 0.000 0.217 258 A C 2.183 179.704 177.584 -0.105 0.000 1.169 258 A CA 1.044 52.831 52.037 -0.417 0.000 0.638 258 A CB -0.447 18.012 19.000 -0.901 0.000 0.812 258 A HN 0.375 nan 8.150 nan 0.000 0.446 259 L N -1.013 120.123 121.223 -0.146 0.000 2.156 259 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 259 L C 2.487 179.327 176.870 -0.050 0.000 1.095 259 L CA 1.362 56.159 54.840 -0.072 0.000 0.770 259 L CB -0.435 41.587 42.059 -0.061 0.000 0.914 259 L HN 0.380 nan 8.230 nan 0.000 0.439 260 E N 0.421 120.544 120.200 -0.128 0.000 2.171 260 E HA -0.226 4.122 4.350 -0.002 0.000 0.197 260 E C 1.633 177.975 176.600 -0.431 0.000 0.997 260 E CA 1.922 58.132 56.400 -0.316 0.000 0.810 260 E CB -0.010 29.326 29.700 -0.606 0.000 0.738 260 E HN 0.446 nan 8.360 nan 0.000 0.467 261 F N -0.357 119.663 119.950 0.117 0.000 2.637 261 F HA 0.181 4.707 4.527 -0.002 0.000 0.284 261 F C 1.873 177.720 175.800 0.080 0.000 1.105 261 F CA 0.487 58.583 58.000 0.160 0.000 1.356 261 F CB -0.449 38.739 39.000 0.313 0.000 1.096 261 F HN 0.062 nan 8.300 nan 0.000 0.616 262 E N 1.676 121.984 120.200 0.180 0.000 2.271 262 E HA -0.382 3.967 4.350 -0.002 0.000 0.209 262 E C 1.742 178.280 176.600 -0.103 0.000 1.046 262 E CA 1.959 58.320 56.400 -0.065 0.000 0.840 262 E CB -1.053 28.616 29.700 -0.051 0.000 0.738 262 E HN 0.698 nan 8.360 nan 0.000 0.470 263 E N 1.648 121.833 120.200 -0.026 0.000 2.187 263 E HA -0.250 4.098 4.350 -0.002 0.000 0.199 263 E C 1.830 178.396 176.600 -0.057 0.000 1.004 263 E CA 1.525 57.905 56.400 -0.033 0.000 0.813 263 E CB -0.378 29.319 29.700 -0.005 0.000 0.736 263 E HN 0.543 nan 8.360 nan 0.000 0.468 264 I N 0.674 121.212 120.570 -0.054 0.000 2.951 264 I HA -0.224 3.945 4.170 -0.002 0.000 0.203 264 I C 1.805 177.790 176.117 -0.221 0.000 1.047 264 I CA 1.392 62.635 61.300 -0.094 0.000 1.399 264 I CB -0.786 37.209 38.000 -0.007 0.000 1.246 264 I HN 0.174 nan 8.210 nan 0.000 0.411 265 T N -0.335 113.974 114.554 -0.410 0.000 12.320 265 T HA -0.330 4.019 4.350 -0.002 0.000 0.419 265 T C 1.070 175.647 174.700 -0.204 0.000 1.443 265 T CA 1.994 63.792 62.100 -0.503 0.000 2.389 265 T CB -1.469 67.070 68.868 -0.547 0.000 2.854 265 T HN 0.428 nan 8.240 nan 0.000 0.830 266 D N 0.588 120.890 120.400 -0.162 0.000 2.162 266 D HA 0.139 4.778 4.640 -0.002 0.000 0.203 266 D C 2.312 178.544 176.300 -0.112 0.000 0.967 266 D CA 1.273 55.208 54.000 -0.109 0.000 0.840 266 D CB -0.379 40.371 40.800 -0.084 0.000 0.972 266 D HN 0.490 nan 8.370 nan 0.000 0.482 267 S N 0.295 115.923 115.700 -0.119 0.000 2.357 267 S HA -0.039 4.430 4.470 -0.002 0.000 0.221 267 S C 1.121 175.606 174.600 -0.192 0.000 1.031 267 S CA 0.255 58.387 58.200 -0.113 0.000 0.982 267 S CB -0.064 63.085 63.200 -0.086 0.000 0.853 267 S HN 0.233 nan 8.310 nan 0.000 0.458 268 V N 1.705 121.454 119.914 -0.275 0.000 2.720 268 V HA 0.042 4.161 4.120 -0.002 0.000 0.307 268 V C 0.236 175.910 176.094 -0.701 0.000 1.071 268 V CA 0.108 62.036 62.300 -0.619 0.000 1.199 268 V CB 0.068 31.451 31.823 -0.733 0.000 0.900 268 V HN 0.350 nan 8.190 nan 0.000 0.494 269 Q N 3.661 122.951 119.800 -0.849 0.000 2.242 269 Q HA 0.413 4.752 4.340 -0.002 0.000 0.246 269 Q C -0.566 175.229 176.000 -0.340 0.000 0.883 269 Q CA 0.000 55.544 55.803 -0.433 0.000 0.984 269 Q CB 0.052 28.681 28.738 -0.181 0.000 1.096 269 Q HN 0.911 nan 8.270 nan 0.000 0.452 270 F N -2.216 117.697 119.950 -0.062 0.000 2.894 270 F HA 0.476 5.002 4.527 -0.002 0.000 0.332 270 F C -0.649 175.145 175.800 -0.010 0.000 1.192 270 F CA -2.195 55.758 58.000 -0.078 0.000 0.980 270 F CB 0.257 39.129 39.000 -0.213 0.000 1.448 270 F HN -0.203 nan 8.300 nan 0.000 0.514 271 E N 0.322 120.733 120.200 0.352 0.000 2.265 271 E HA 0.147 4.496 4.350 -0.002 0.000 0.272 271 E C -1.318 175.560 176.600 0.464 0.000 1.067 271 E CA -0.192 56.390 56.400 0.303 0.000 0.900 271 E CB 0.121 29.945 29.700 0.207 0.000 1.017 271 E HN 0.589 nan 8.360 nan 0.000 0.431 272 Y N 3.196 123.662 120.300 0.277 0.000 2.465 272 Y HA 0.181 4.730 4.550 -0.002 0.000 0.331 272 Y C -0.449 175.609 175.900 0.264 0.000 1.102 272 Y CA 0.405 58.693 58.100 0.312 0.000 1.358 272 Y CB 0.762 39.328 38.460 0.176 0.000 1.213 272 Y HN 0.679 nan 8.280 nan 0.000 0.525 273 D N 6.318 126.597 120.400 -0.202 0.000 2.616 273 D HA -0.029 4.610 4.640 -0.002 0.000 0.238 273 D C -0.004 176.074 176.300 -0.369 0.000 1.354 273 D CA -0.432 53.469 54.000 -0.165 0.000 0.970 273 D CB 0.511 41.271 40.800 -0.067 0.000 1.369 273 D HN 0.546 nan 8.370 nan 0.000 0.585 274 F N 4.296 124.060 119.950 -0.310 0.000 2.126 274 F HA -0.156 4.370 4.527 -0.002 0.000 0.299 274 F C 1.843 177.545 175.800 -0.163 0.000 1.096 274 F CA 1.560 59.417 58.000 -0.239 0.000 1.255 274 F CB 0.332 39.324 39.000 -0.013 0.000 0.997 274 F HN 0.341 nan 8.300 nan 0.000 0.479 275 E N 0.661 120.716 120.200 -0.242 0.000 2.130 275 E HA -0.210 4.139 4.350 -0.002 0.000 0.196 275 E C 2.269 178.691 176.600 -0.296 0.000 0.998 275 E CA 1.170 57.467 56.400 -0.172 0.000 0.806 275 E CB -0.446 29.242 29.700 -0.020 0.000 0.738 275 E HN 0.492 nan 8.360 nan 0.000 0.459 276 R N 0.437 120.629 120.500 -0.513 0.000 2.075 276 R HA 0.007 4.345 4.340 -0.002 0.000 0.226 276 R C 2.605 178.463 176.300 -0.737 0.000 1.114 276 R CA 0.688 56.310 56.100 -0.796 0.000 0.972 276 R CB -1.109 28.322 30.300 -1.447 0.000 0.869 276 R HN 0.099 nan 8.270 nan 0.000 0.437 277 V N 2.272 121.794 119.914 -0.654 0.000 2.324 277 V HA -0.249 3.870 4.120 -0.002 0.000 0.250 277 V C 2.473 178.308 176.094 -0.432 0.000 1.060 277 V CA 1.720 63.750 62.300 -0.450 0.000 1.042 277 V CB -0.701 30.799 31.823 -0.538 0.000 0.650 277 V HN 0.147 nan 8.190 nan 0.000 0.450 278 L N 0.335 121.189 121.223 -0.615 0.000 2.017 278 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 278 L C 2.114 178.899 176.870 -0.141 0.000 1.073 278 L CA 2.098 56.675 54.840 -0.438 0.000 0.745 278 L CB -0.911 40.766 42.059 -0.637 0.000 0.894 278 L HN 0.260 nan 8.230 nan 0.000 0.432 279 D N -0.328 120.000 120.400 -0.120 0.000 2.144 279 D HA -0.178 4.461 4.640 -0.002 0.000 0.199 279 D C 1.731 178.010 176.300 -0.035 0.000 0.984 279 D CA 1.434 55.448 54.000 0.023 0.000 0.834 279 D CB -0.049 40.741 40.800 -0.017 0.000 0.955 279 D HN 0.455 nan 8.370 nan 0.000 0.465 280 D N -0.501 119.845 120.400 -0.091 0.000 2.097 280 D HA -0.119 4.520 4.640 -0.002 0.000 0.197 280 D C 1.682 177.835 176.300 -0.246 0.000 0.984 280 D CA 0.366 54.331 54.000 -0.058 0.000 0.826 280 D CB -0.431 40.460 40.800 0.152 0.000 0.973 280 D HN 0.137 nan 8.370 nan 0.000 0.460 281 F N 0.728 120.439 119.950 -0.399 0.000 2.250 281 F HA -0.135 4.391 4.527 -0.002 0.000 0.301 281 F C 1.797 177.385 175.800 -0.353 0.000 1.077 281 F CA 0.830 58.533 58.000 -0.495 0.000 1.348 281 F CB -0.113 38.842 39.000 -0.075 0.000 1.040 281 F HN -0.103 nan 8.300 nan 0.000 0.509 282 I N -0.827 119.615 120.570 -0.212 0.000 2.252 282 I HA -0.250 3.919 4.170 -0.002 0.000 0.245 282 I C 2.227 178.131 176.117 -0.355 0.000 1.102 282 I CA 1.162 62.267 61.300 -0.324 0.000 1.385 282 I CB -0.711 37.258 38.000 -0.051 0.000 1.064 282 I HN 0.210 nan 8.210 nan 0.000 0.414 283 F N 0.684 120.463 119.950 -0.285 0.000 2.134 283 F HA -0.186 4.340 4.527 -0.002 0.000 0.299 283 F C 2.285 177.877 175.800 -0.347 0.000 1.097 283 F CA 1.470 59.330 58.000 -0.234 0.000 1.264 283 F CB -0.596 38.233 39.000 -0.287 0.000 1.001 283 F HN -0.156 nan 8.300 nan 0.000 0.479 284 V N 0.964 120.314 119.914 -0.940 0.000 2.332 284 V HA -0.318 3.801 4.120 -0.002 0.000 0.248 284 V C 2.602 178.317 176.094 -0.631 0.000 1.055 284 V CA 2.040 63.694 62.300 -1.078 0.000 1.038 284 V CB -0.807 30.225 31.823 -1.317 0.000 0.651 284 V HN 0.420 nan 8.190 nan 0.000 0.450 285 L N -1.255 119.539 121.223 -0.714 0.000 1.994 285 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 285 L C 2.404 179.023 176.870 -0.419 0.000 1.071 285 L CA 1.949 56.412 54.840 -0.628 0.000 0.745 285 L CB -0.529 41.002 42.059 -0.880 0.000 0.892 285 L HN 0.265 nan 8.230 nan 0.000 0.431 286 F N -0.639 119.145 119.950 -0.277 0.000 2.333 286 F HA -0.195 4.331 4.527 -0.002 0.000 0.300 286 F C 2.503 178.201 175.800 -0.169 0.000 1.083 286 F CA 0.882 58.791 58.000 -0.151 0.000 1.395 286 F CB -0.426 38.561 39.000 -0.021 0.000 1.056 286 F HN 0.075 nan 8.300 nan 0.000 0.529 287 T N 0.504 114.975 114.554 -0.137 0.000 2.904 287 T HA -0.082 4.267 4.350 -0.002 0.000 0.267 287 T C 1.905 176.619 174.700 0.023 0.000 1.059 287 T CA 0.964 63.006 62.100 -0.097 0.000 1.137 287 T CB -0.241 68.512 68.868 -0.193 0.000 0.879 287 T HN 0.237 nan 8.240 nan 0.000 0.467 288 I N 0.499 121.064 120.570 -0.008 0.000 2.676 288 I HA 0.148 4.317 4.170 -0.002 0.000 0.259 288 I C 1.308 177.436 176.117 0.019 0.000 1.194 288 I CA 0.243 61.540 61.300 -0.004 0.000 1.473 288 I CB -0.125 37.847 38.000 -0.048 0.000 1.096 288 I HN 0.220 nan 8.210 nan 0.000 0.443 289 G N 1.163 109.989 108.800 0.044 0.000 2.733 289 G HA2 0.492 4.451 3.960 -0.002 0.000 0.297 289 G HA3 0.492 4.451 3.960 -0.002 0.000 0.297 289 G C -1.570 173.429 174.900 0.164 0.000 1.452 289 G CA -0.638 44.509 45.100 0.079 0.000 0.940 289 G HN 0.315 nan 8.290 nan 0.000 0.547 290 N N -0.612 118.173 118.700 0.142 0.000 3.356 290 N HA 0.239 4.978 4.740 -0.002 0.000 0.246 290 N C -1.114 174.428 175.510 0.053 0.000 1.480 290 N CA -0.909 52.248 53.050 0.178 0.000 0.877 290 N CB 1.245 39.877 38.487 0.241 0.000 1.431 290 N HN 0.283 nan 8.380 nan 0.000 0.500 291 D N -0.555 119.806 120.400 -0.065 0.000 2.369 291 D HA 0.174 4.812 4.640 -0.002 0.000 0.211 291 D C 0.259 176.235 176.300 -0.541 0.000 1.077 291 D CA 0.453 54.244 54.000 -0.348 0.000 0.842 291 D CB 0.259 40.762 40.800 -0.496 0.000 0.947 291 D HN 0.341 nan 8.370 nan 0.000 0.509 292 F N 0.478 120.418 119.950 -0.016 0.000 2.694 292 F HA 0.259 4.785 4.527 -0.002 0.000 0.292 292 F C 1.073 176.850 175.800 -0.040 0.000 1.121 292 F CA 0.083 58.053 58.000 -0.050 0.000 1.352 292 F CB 0.664 39.609 39.000 -0.091 0.000 1.107 292 F HN -0.262 nan 8.300 nan 0.000 0.597 293 L N 0.335 121.586 121.223 0.047 0.000 2.319 293 L HA 0.511 4.850 4.340 -0.002 0.000 0.267 293 L C -2.460 174.418 176.870 0.013 0.000 1.011 293 L CA -2.227 52.558 54.840 -0.092 0.000 0.818 293 L CB 1.483 43.340 42.059 -0.338 0.000 1.316 293 L HN -0.329 nan 8.230 nan 0.000 0.432 294 P HA 0.136 nan 4.420 nan 0.000 0.272 294 P C -0.904 176.514 177.300 0.197 0.000 1.223 294 P CA -0.438 62.734 63.100 0.120 0.000 0.784 294 P CB 0.397 32.188 31.700 0.153 0.000 0.923 295 N N 0.588 119.374 118.700 0.143 0.000 2.326 295 N HA 0.125 4.863 4.740 -0.002 0.000 0.239 295 N C 0.526 176.129 175.510 0.155 0.000 1.301 295 N CA -0.166 52.977 53.050 0.155 0.000 0.909 295 N CB -0.026 38.516 38.487 0.093 0.000 1.156 295 N HN 0.297 nan 8.380 nan 0.000 0.462 296 L N 1.112 122.417 121.223 0.137 0.000 2.475 296 L HA 0.161 4.500 4.340 -0.002 0.000 0.212 296 L C -0.881 176.032 176.870 0.072 0.000 1.204 296 L CA -1.083 53.795 54.840 0.063 0.000 0.843 296 L CB -0.271 41.831 42.059 0.072 0.000 1.360 296 L HN 0.485 nan 8.230 nan 0.000 0.527 297 P HA -0.013 nan 4.420 nan 0.000 0.194 297 P C -0.311 177.067 177.300 0.131 0.000 1.105 297 P CA 0.660 63.791 63.100 0.051 0.000 0.797 297 P CB 0.261 31.938 31.700 -0.038 0.000 0.687 298 D N 0.264 120.790 120.400 0.210 0.000 3.179 298 D HA 0.244 4.883 4.640 -0.002 0.000 0.267 298 D C -0.112 176.479 176.300 0.485 0.000 1.348 298 D CA -0.053 54.127 54.000 0.300 0.000 0.897 298 D CB -0.454 40.591 40.800 0.408 0.000 1.062 298 D HN 0.171 nan 8.370 nan 0.000 0.494 299 L N 1.405 122.839 121.223 0.351 0.000 2.600 299 L HA 0.063 4.402 4.340 -0.002 0.000 0.278 299 L C 0.673 177.698 176.870 0.257 0.000 1.139 299 L CA -0.092 54.972 54.840 0.374 0.000 0.933 299 L CB -0.296 41.825 42.059 0.103 0.000 1.266 299 L HN -0.009 nan 8.230 nan 0.000 0.471 300 H N 3.680 122.883 119.070 0.223 0.000 3.001 300 H HA 0.119 4.674 4.556 -0.002 0.000 0.248 300 H C 1.216 176.480 175.328 -0.107 0.000 1.663 300 H CA -0.057 56.078 56.048 0.145 0.000 1.258 300 H CB -0.106 29.955 29.762 0.499 0.000 1.547 300 H HN 0.593 nan 8.280 nan 0.000 0.557 301 L N -0.141 121.006 121.223 -0.128 0.000 1.997 301 L HA -0.295 4.044 4.340 -0.002 0.000 0.216 301 L C 2.177 178.999 176.870 -0.080 0.000 1.074 301 L CA 1.516 56.198 54.840 -0.263 0.000 0.763 301 L CB -0.251 41.626 42.059 -0.304 0.000 0.890 301 L HN 0.415 nan 8.230 nan 0.000 0.434 302 K N -0.055 120.332 120.400 -0.021 0.000 2.280 302 K HA -0.183 4.136 4.320 -0.002 0.000 0.202 302 K C 1.666 178.303 176.600 0.062 0.000 1.047 302 K CA 0.963 57.264 56.287 0.023 0.000 0.942 302 K CB -0.158 32.351 32.500 0.015 0.000 0.739 302 K HN 0.040 nan 8.250 nan 0.000 0.457 303 K N -0.258 120.211 120.400 0.114 0.000 2.437 303 K HA 0.084 4.403 4.320 -0.002 0.000 0.205 303 K C 0.352 177.064 176.600 0.187 0.000 1.026 303 K CA 0.293 56.715 56.287 0.225 0.000 1.153 303 K CB 0.429 33.169 32.500 0.401 0.000 0.863 303 K HN 0.290 nan 8.250 nan 0.000 0.502 304 G N -1.004 107.764 108.800 -0.054 0.000 2.159 304 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.170 304 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.170 304 G C 0.883 175.466 174.900 -0.528 0.000 1.007 304 G CA 0.139 45.165 45.100 -0.123 0.000 0.672 304 G HN 0.304 nan 8.290 nan 0.000 0.507 305 A N -0.388 121.890 122.820 -0.903 0.000 2.125 305 A HA 0.320 4.638 4.320 -0.002 0.000 0.219 305 A C 1.852 179.190 177.584 -0.410 0.000 1.156 305 A CA 1.953 53.441 52.037 -0.915 0.000 0.671 305 A CB -0.442 18.255 19.000 -0.506 0.000 0.794 305 A HN 0.647 nan 8.150 nan 0.000 0.459 306 F N 0.802 120.501 119.950 -0.419 0.000 2.075 306 F HA -0.073 4.453 4.527 -0.002 0.000 0.297 306 F C -0.098 175.478 175.800 -0.373 0.000 1.113 306 F CA 1.804 59.447 58.000 -0.595 0.000 1.218 306 F CB -1.112 37.062 39.000 -1.377 0.000 0.984 306 F HN 0.215 nan 8.300 nan 0.000 0.472 307 P HA -0.102 nan 4.420 nan 0.000 0.220 307 P C 1.968 179.375 177.300 0.178 0.000 1.148 307 P CA 1.345 64.577 63.100 0.220 0.000 0.803 307 P CB -0.118 31.729 31.700 0.245 0.000 0.782 308 V N 0.854 120.848 119.914 0.134 0.000 2.223 308 V HA -0.243 3.876 4.120 -0.002 0.000 0.244 308 V C 2.816 178.971 176.094 0.102 0.000 1.045 308 V CA 1.699 64.095 62.300 0.160 0.000 1.000 308 V CB -1.452 30.536 31.823 0.276 0.000 0.635 308 V HN -0.017 nan 8.190 nan 0.000 0.445 309 L N -0.410 120.786 121.223 -0.044 0.000 2.021 309 L HA -0.275 4.064 4.340 -0.002 0.000 0.215 309 L C 2.562 179.583 176.870 0.252 0.000 1.074 309 L CA 1.961 56.789 54.840 -0.020 0.000 0.760 309 L CB -0.919 41.055 42.059 -0.142 0.000 0.889 309 L HN 0.391 nan 8.230 nan 0.000 0.433 310 L N -0.074 121.337 121.223 0.312 0.000 2.042 310 L HA -0.261 4.078 4.340 -0.002 0.000 0.210 310 L C 2.526 179.644 176.870 0.413 0.000 1.076 310 L CA 1.810 56.936 54.840 0.477 0.000 0.749 310 L CB -0.498 41.888 42.059 0.545 0.000 0.893 310 L HN 0.196 nan 8.230 nan 0.000 0.432 311 Q N -0.907 119.064 119.800 0.285 0.000 2.436 311 Q HA -0.113 4.226 4.340 -0.002 0.000 0.209 311 Q C 1.925 178.034 176.000 0.182 0.000 0.965 311 Q CA 1.785 57.716 55.803 0.213 0.000 0.910 311 Q CB -0.354 28.491 28.738 0.177 0.000 0.980 311 Q HN 0.586 nan 8.270 nan 0.000 0.491 312 T N -0.288 114.418 114.554 0.252 0.000 2.732 312 T HA -0.093 4.256 4.350 -0.002 0.000 0.261 312 T C 1.098 175.920 174.700 0.203 0.000 1.040 312 T CA 1.169 63.414 62.100 0.242 0.000 1.145 312 T CB -0.433 68.682 68.868 0.412 0.000 0.866 312 T HN 0.438 nan 8.240 nan 0.000 0.427 313 F N 2.212 122.283 119.950 0.201 0.000 2.202 313 F HA -0.011 4.515 4.527 -0.002 0.000 0.301 313 F C 2.001 177.810 175.800 0.016 0.000 1.082 313 F CA 1.167 59.147 58.000 -0.033 0.000 1.313 313 F CB -0.284 38.651 39.000 -0.108 0.000 1.024 313 F HN 0.002 nan 8.300 nan 0.000 0.495 314 K N -0.260 120.079 120.400 -0.102 0.000 2.283 314 K HA -0.160 4.159 4.320 -0.002 0.000 0.202 314 K C 1.768 178.217 176.600 -0.251 0.000 1.048 314 K CA 1.235 57.419 56.287 -0.172 0.000 0.948 314 K CB -0.020 32.513 32.500 0.055 0.000 0.742 314 K HN 0.259 nan 8.250 nan 0.000 0.458 315 E N 0.490 120.505 120.200 -0.309 0.000 2.038 315 E HA 0.016 4.365 4.350 -0.002 0.000 0.190 315 E C 1.810 178.093 176.600 -0.529 0.000 0.967 315 E CA 1.045 57.173 56.400 -0.452 0.000 0.816 315 E CB -0.335 28.988 29.700 -0.629 0.000 0.784 315 E HN 0.192 nan 8.360 nan 0.000 0.456 316 A N 0.674 123.201 122.820 -0.489 0.000 2.023 316 A HA -0.245 4.074 4.320 -0.002 0.000 0.223 316 A C 2.127 179.686 177.584 -0.042 0.000 1.180 316 A CA 1.751 53.784 52.037 -0.007 0.000 0.659 316 A CB -0.730 18.470 19.000 0.333 0.000 0.817 316 A HN 0.286 nan 8.150 nan 0.000 0.466 317 L N -0.953 120.136 121.223 -0.223 0.000 2.313 317 L HA -0.028 4.310 4.340 -0.002 0.000 0.214 317 L C 2.235 179.050 176.870 -0.091 0.000 1.119 317 L CA 1.711 56.473 54.840 -0.130 0.000 0.809 317 L CB -0.322 41.511 42.059 -0.377 0.000 0.933 317 L HN 0.493 nan 8.230 nan 0.000 0.449 318 Q N -1.464 118.161 119.800 -0.292 0.000 2.425 318 Q HA 0.034 4.373 4.340 -0.002 0.000 0.204 318 Q C -0.061 175.822 176.000 -0.195 0.000 0.933 318 Q CA 0.388 56.004 55.803 -0.311 0.000 0.939 318 Q CB 0.267 28.813 28.738 -0.320 0.000 1.044 318 Q HN 0.533 nan 8.270 nan 0.000 0.513 319 H N -0.637 118.480 119.070 0.078 0.000 2.534 319 H HA 0.423 4.978 4.556 -0.002 0.000 0.250 319 H C -0.529 174.887 175.328 0.148 0.000 1.256 319 H CA -0.008 56.107 56.048 0.111 0.000 1.000 319 H CB -0.193 29.671 29.762 0.171 0.000 1.801 319 H HN 0.128 nan 8.280 nan 0.000 0.569 320 M N 0.941 120.686 119.600 0.241 0.000 2.572 320 M HA 0.140 4.619 4.480 -0.002 0.000 0.299 320 M C 0.115 176.593 176.300 0.297 0.000 1.205 320 M CA -0.690 54.769 55.300 0.265 0.000 0.876 320 M CB 2.729 35.497 32.600 0.281 0.000 1.728 320 M HN 0.080 nan 8.290 nan 0.000 0.458 321 D N -0.141 120.386 120.400 0.211 0.000 2.328 321 D HA 0.260 4.899 4.640 -0.002 0.000 0.221 321 D C 0.472 176.873 176.300 0.169 0.000 1.072 321 D CA 0.312 54.433 54.000 0.202 0.000 0.850 321 D CB 0.570 41.431 40.800 0.102 0.000 0.922 321 D HN 0.721 nan 8.370 nan 0.000 0.516 322 G N -0.900 107.868 108.800 -0.054 0.000 2.512 322 G HA2 0.353 4.312 3.960 -0.002 0.000 0.186 322 G HA3 0.353 4.312 3.960 -0.002 0.000 0.186 322 G C -1.941 172.279 174.900 -1.132 0.000 1.189 322 G CA -0.904 43.785 45.100 -0.685 0.000 0.994 322 G HN 0.109 nan 8.290 nan 0.000 0.506 323 Y N -0.069 119.936 120.300 -0.491 0.000 2.425 323 Y HA 0.481 5.030 4.550 -0.002 0.000 0.344 323 Y C 1.473 177.218 175.900 -0.258 0.000 0.969 323 Y CA -0.847 57.008 58.100 -0.410 0.000 1.052 323 Y CB 2.372 40.577 38.460 -0.425 0.000 1.215 323 Y HN 0.346 nan 8.280 nan 0.000 0.451 324 I N 1.178 121.733 120.570 -0.026 0.000 2.286 324 I HA -0.242 3.927 4.170 -0.002 0.000 0.248 324 I C 0.657 176.556 176.117 -0.363 0.000 1.115 324 I CA 1.446 62.644 61.300 -0.169 0.000 1.392 324 I CB -0.014 37.894 38.000 -0.153 0.000 1.065 324 I HN 0.578 nan 8.210 nan 0.000 0.418 325 N N 1.387 119.890 118.700 -0.328 0.000 2.479 325 N HA 0.070 4.809 4.740 -0.002 0.000 0.261 325 N C -0.481 174.808 175.510 -0.368 0.000 0.979 325 N CA -0.244 52.547 53.050 -0.431 0.000 0.930 325 N CB 0.964 39.168 38.487 -0.473 0.000 1.172 325 N HN 0.081 nan 8.380 nan 0.000 0.499 326 E N 4.004 123.992 120.200 -0.353 0.000 2.136 326 E HA 0.047 4.396 4.350 -0.002 0.000 0.246 326 E C -0.677 175.672 176.600 -0.419 0.000 1.017 326 E CA -0.064 56.140 56.400 -0.328 0.000 0.883 326 E CB 0.104 29.660 29.700 -0.239 0.000 1.199 326 E HN 0.688 nan 8.360 nan 0.000 0.447 327 Q N 1.491 120.985 119.800 -0.510 0.000 2.468 327 Q HA -0.307 4.032 4.340 -0.002 0.000 0.289 327 Q C 0.605 176.282 176.000 -0.540 0.000 1.299 327 Q CA 0.613 56.024 55.803 -0.652 0.000 0.838 327 Q CB -1.650 26.393 28.738 -1.157 0.000 1.195 327 Q HN 0.989 nan 8.270 nan 0.000 0.456 328 G N -0.014 108.361 108.800 -0.708 0.000 2.953 328 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.201 328 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.201 328 G C -0.048 174.573 174.900 -0.465 0.000 1.501 328 G CA -0.215 44.557 45.100 -0.546 0.000 1.094 328 G HN 0.196 nan 8.290 nan 0.000 0.555 329 K N 2.455 122.692 120.400 -0.272 0.000 2.367 329 K HA 0.138 4.456 4.320 -0.002 0.000 0.275 329 K C 0.598 176.965 176.600 -0.389 0.000 1.125 329 K CA 0.106 56.212 56.287 -0.302 0.000 1.133 329 K CB -0.552 31.903 32.500 -0.075 0.000 0.875 329 K HN 0.448 nan 8.250 nan 0.000 0.467 330 I N 3.720 124.011 120.570 -0.464 0.000 2.648 330 I HA -0.096 4.073 4.170 -0.002 0.000 0.284 330 I C 1.067 177.017 176.117 -0.278 0.000 1.153 330 I CA -0.050 60.955 61.300 -0.491 0.000 1.426 330 I CB 0.274 37.971 38.000 -0.505 0.000 1.381 330 I HN 0.479 nan 8.210 nan 0.000 0.571 331 N N 6.905 125.457 118.700 -0.246 0.000 2.645 331 N HA 0.144 4.883 4.740 -0.002 0.000 0.233 331 N C 0.524 176.062 175.510 0.046 0.000 1.058 331 N CA -0.496 52.501 53.050 -0.089 0.000 0.942 331 N CB 0.810 39.244 38.487 -0.089 0.000 1.210 331 N HN 0.444 nan 8.380 nan 0.000 0.512 332 L N 2.766 124.057 121.223 0.113 0.000 2.129 332 L HA -0.086 4.253 4.340 -0.002 0.000 0.212 332 L C 2.382 179.349 176.870 0.162 0.000 1.087 332 L CA 1.776 56.761 54.840 0.242 0.000 0.757 332 L CB -1.438 40.722 42.059 0.167 0.000 0.896 332 L HN 0.430 nan 8.230 nan 0.000 0.434 333 A N 0.734 123.616 122.820 0.102 0.000 1.849 333 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 333 A C 2.516 180.179 177.584 0.131 0.000 1.202 333 A CA 2.077 54.166 52.037 0.087 0.000 0.629 333 A CB -0.549 18.487 19.000 0.060 0.000 0.834 333 A HN 0.466 nan 8.150 nan 0.000 0.447 334 R N -1.678 118.911 120.500 0.148 0.000 2.148 334 R HA -0.067 4.272 4.340 -0.002 0.000 0.227 334 R C 1.950 178.461 176.300 0.352 0.000 1.103 334 R CA 1.236 57.456 56.100 0.199 0.000 0.983 334 R CB -0.671 29.703 30.300 0.124 0.000 0.874 334 R HN 0.605 nan 8.270 nan 0.000 0.451 335 F N 2.490 122.546 119.950 0.177 0.000 2.202 335 F HA -0.119 4.407 4.527 -0.002 0.000 0.301 335 F C 1.748 177.773 175.800 0.376 0.000 1.082 335 F CA 0.962 59.155 58.000 0.322 0.000 1.313 335 F CB -0.321 38.813 39.000 0.223 0.000 1.024 335 F HN -0.165 nan 8.300 nan 0.000 0.495 336 S N 1.082 116.863 115.700 0.135 0.000 2.414 336 S HA -0.032 4.437 4.470 -0.002 0.000 0.227 336 S C 2.205 176.909 174.600 0.172 0.000 1.022 336 S CA 1.097 59.283 58.200 -0.022 0.000 0.958 336 S CB -0.365 62.812 63.200 -0.039 0.000 0.797 336 S HN 0.460 nan 8.310 nan 0.000 0.493 337 I N 0.052 120.789 120.570 0.278 0.000 2.264 337 I HA -0.218 3.951 4.170 -0.002 0.000 0.248 337 I C 2.318 178.764 176.117 0.548 0.000 1.111 337 I CA 1.369 62.883 61.300 0.356 0.000 1.382 337 I CB -0.398 37.810 38.000 0.347 0.000 1.060 337 I HN 0.405 nan 8.210 nan 0.000 0.418 338 W N 2.065 123.610 121.300 0.410 0.000 2.378 338 W HA -0.119 4.539 4.660 -0.002 0.000 0.313 338 W C 2.298 179.081 176.519 0.440 0.000 1.197 338 W CA 1.085 58.716 57.345 0.477 0.000 1.304 338 W CB -0.776 28.998 29.460 0.523 0.000 1.148 338 W HN -0.052 nan 8.180 nan 0.000 0.494 339 L N 1.140 122.482 121.223 0.198 0.000 2.064 339 L HA -0.345 3.994 4.340 -0.002 0.000 0.216 339 L C 2.804 179.693 176.870 0.031 0.000 1.077 339 L CA 1.866 56.669 54.840 -0.060 0.000 0.766 339 L CB -0.825 41.151 42.059 -0.139 0.000 0.890 339 L HN -0.078 nan 8.230 nan 0.000 0.435 340 K N -0.740 119.737 120.400 0.128 0.000 2.152 340 K HA -0.218 4.101 4.320 -0.002 0.000 0.206 340 K C 1.990 178.655 176.600 0.108 0.000 1.048 340 K CA 1.752 58.102 56.287 0.106 0.000 0.933 340 K CB -0.195 32.347 32.500 0.069 0.000 0.721 340 K HN 0.360 nan 8.250 nan 0.000 0.447 341 Y N 0.345 120.727 120.300 0.137 0.000 2.314 341 Y HA -0.011 4.538 4.550 -0.002 0.000 0.294 341 Y C 2.158 178.133 175.900 0.125 0.000 1.119 341 Y CA 0.582 58.790 58.100 0.179 0.000 1.179 341 Y CB 0.030 38.659 38.460 0.282 0.000 1.025 341 Y HN -0.079 nan 8.280 nan 0.000 0.541 342 L N -1.306 119.980 121.223 0.105 0.000 2.083 342 L HA -0.246 4.093 4.340 -0.002 0.000 0.209 342 L C 2.344 179.358 176.870 0.241 0.000 1.083 342 L CA 1.263 56.124 54.840 0.034 0.000 0.752 342 L CB -0.621 41.300 42.059 -0.231 0.000 0.899 342 L HN 0.137 nan 8.230 nan 0.000 0.433 343 S N -0.277 115.531 115.700 0.180 0.000 2.345 343 S HA -0.177 4.292 4.470 -0.002 0.000 0.220 343 S C 1.517 176.254 174.600 0.228 0.000 1.031 343 S CA 1.309 59.620 58.200 0.185 0.000 0.996 343 S CB -0.289 63.005 63.200 0.156 0.000 0.882 343 S HN 0.439 nan 8.310 nan 0.000 0.445 344 D N 0.771 121.331 120.400 0.266 0.000 2.203 344 D HA -0.136 4.503 4.640 -0.002 0.000 0.199 344 D C 1.489 177.989 176.300 0.333 0.000 0.997 344 D CA 0.869 55.043 54.000 0.290 0.000 0.863 344 D CB -0.337 40.597 40.800 0.224 0.000 0.928 344 D HN 0.441 nan 8.370 nan 0.000 0.458 345 F N 1.585 121.654 119.950 0.199 0.000 2.039 345 F HA -0.128 4.398 4.527 -0.002 0.000 0.294 345 F C 2.397 178.324 175.800 0.211 0.000 1.130 345 F CA 1.685 59.809 58.000 0.207 0.000 1.189 345 F CB -0.295 38.829 39.000 0.206 0.000 0.983 345 F HN -0.155 nan 8.300 nan 0.000 0.471 346 E N -0.843 119.514 120.200 0.262 0.000 2.065 346 E HA -0.362 3.987 4.350 -0.002 0.000 0.201 346 E C 2.261 178.975 176.600 0.190 0.000 1.016 346 E CA 1.978 58.486 56.400 0.180 0.000 0.818 346 E CB -0.705 29.179 29.700 0.307 0.000 0.749 346 E HN 0.631 nan 8.360 nan 0.000 0.453 347 Y N 0.993 121.290 120.300 -0.005 0.000 2.070 347 Y HA -0.232 4.317 4.550 -0.002 0.000 0.280 347 Y C 2.132 178.030 175.900 -0.004 0.000 1.148 347 Y CA 1.954 59.889 58.100 -0.274 0.000 1.125 347 Y CB -0.614 37.464 38.460 -0.637 0.000 0.975 347 Y HN 0.051 nan 8.280 nan 0.000 0.492 348 L N 0.600 121.798 121.223 -0.043 0.000 2.189 348 L HA -0.310 4.029 4.340 -0.002 0.000 0.214 348 L C 1.852 178.653 176.870 -0.114 0.000 1.097 348 L CA 1.547 56.338 54.840 -0.082 0.000 0.764 348 L CB -0.485 41.643 42.059 0.115 0.000 0.900 348 L HN 0.413 nan 8.230 nan 0.000 0.436 349 N N -0.864 117.737 118.700 -0.166 0.000 2.387 349 N HA -0.116 4.623 4.740 -0.002 0.000 0.176 349 N C 1.689 176.989 175.510 -0.351 0.000 1.022 349 N CA 0.805 53.692 53.050 -0.271 0.000 0.883 349 N CB -0.306 37.953 38.487 -0.381 0.000 1.019 349 N HN 0.280 nan 8.380 nan 0.000 0.435 350 F N 3.037 122.777 119.950 -0.350 0.000 2.082 350 F HA -0.265 4.260 4.527 -0.002 0.000 0.298 350 F C 1.908 177.443 175.800 -0.442 0.000 1.091 350 F CA 1.717 59.466 58.000 -0.418 0.000 1.230 350 F CB -0.414 38.467 39.000 -0.199 0.000 0.983 350 F HN -0.011 nan 8.300 nan 0.000 0.485 351 E N 0.281 119.815 120.200 -1.109 0.000 2.085 351 E HA -0.192 4.157 4.350 -0.002 0.000 0.194 351 E C 0.763 176.911 176.600 -0.753 0.000 0.994 351 E CA 0.912 56.691 56.400 -1.036 0.000 0.801 351 E CB -0.275 29.006 29.700 -0.698 0.000 0.743 351 E HN 0.202 nan 8.360 nan 0.000 0.453 352 K N 1.682 121.640 120.400 -0.736 0.000 2.298 352 K HA 0.023 4.342 4.320 -0.002 0.000 0.280 352 K C 0.895 177.126 176.600 -0.615 0.000 1.032 352 K CA 0.095 55.906 56.287 -0.795 0.000 0.958 352 K CB 0.914 32.648 32.500 -1.276 0.000 0.978 352 K HN -0.098 nan 8.250 nan 0.000 0.472 353 K N 2.002 122.103 120.400 -0.499 0.000 2.028 353 K HA -0.028 4.291 4.320 -0.002 0.000 0.211 353 K C 0.059 176.462 176.600 -0.329 0.000 1.034 353 K CA 0.818 56.890 56.287 -0.358 0.000 0.999 353 K CB -0.807 31.530 32.500 -0.271 0.000 1.060 353 K HN 0.566 nan 8.250 nan 0.000 0.451 354 D N 0.808 121.045 120.400 -0.270 0.000 2.423 354 D HA 0.110 4.749 4.640 -0.002 0.000 0.238 354 D C -0.495 175.625 176.300 -0.300 0.000 1.142 354 D CA 0.331 54.205 54.000 -0.210 0.000 0.884 354 D CB 0.179 40.891 40.800 -0.147 0.000 1.199 354 D HN 0.106 nan 8.370 nan 0.000 0.438 355 I N 1.872 122.326 120.570 -0.194 0.000 2.495 355 I HA 0.226 4.395 4.170 -0.002 0.000 0.277 355 I C -0.494 175.633 176.117 0.016 0.000 1.045 355 I CA -0.832 60.331 61.300 -0.228 0.000 1.135 355 I CB 0.893 38.772 38.000 -0.201 0.000 1.241 355 I HN 0.242 nan 8.210 nan 0.000 0.469 356 D N 4.678 125.103 120.400 0.041 0.000 2.392 356 D HA 0.300 4.939 4.640 -0.002 0.000 0.246 356 D C 0.922 177.406 176.300 0.307 0.000 1.013 356 D CA -0.741 53.358 54.000 0.164 0.000 0.993 356 D CB 2.028 42.884 40.800 0.094 0.000 1.219 356 D HN 0.106 nan 8.370 nan 0.000 0.538 357 V N 0.490 120.582 119.914 0.298 0.000 2.332 357 V HA -0.246 3.873 4.120 -0.002 0.000 0.248 357 V C 2.474 178.732 176.094 0.273 0.000 1.055 357 V CA 2.383 64.885 62.300 0.337 0.000 1.038 357 V CB -0.799 31.162 31.823 0.231 0.000 0.651 357 V HN 0.728 nan 8.190 nan 0.000 0.450 358 E N -0.986 119.322 120.200 0.181 0.000 2.265 358 E HA -0.245 4.104 4.350 -0.002 0.000 0.196 358 E C 1.995 178.686 176.600 0.152 0.000 0.996 358 E CA 1.135 57.609 56.400 0.125 0.000 0.832 358 E CB -0.152 29.594 29.700 0.077 0.000 0.756 358 E HN 0.795 nan 8.360 nan 0.000 0.491 359 W N 0.232 121.507 121.300 -0.042 0.000 2.352 359 W HA -0.258 4.401 4.660 -0.002 0.000 0.322 359 W C 1.261 177.710 176.519 -0.116 0.000 1.208 359 W CA 1.193 58.435 57.345 -0.172 0.000 1.286 359 W CB -0.605 28.623 29.460 -0.387 0.000 1.167 359 W HN 0.061 nan 8.180 nan 0.000 0.469 360 F N 1.752 121.658 119.950 -0.073 0.000 2.216 360 F HA -0.249 4.277 4.527 -0.002 0.000 0.300 360 F C 2.280 178.039 175.800 -0.068 0.000 1.085 360 F CA 1.501 59.406 58.000 -0.158 0.000 1.326 360 F CB -1.124 37.922 39.000 0.077 0.000 1.027 360 F HN -0.056 nan 8.300 nan 0.000 0.497 361 N N 0.157 118.975 118.700 0.197 0.000 2.166 361 N HA -0.191 4.548 4.740 -0.002 0.000 0.186 361 N C 1.879 177.420 175.510 0.053 0.000 1.019 361 N CA 1.021 54.170 53.050 0.165 0.000 0.856 361 N CB -0.471 38.087 38.487 0.119 0.000 0.993 361 N HN 0.260 nan 8.380 nan 0.000 0.426 362 Q N 1.255 121.021 119.800 -0.057 0.000 2.123 362 Q HA -0.075 4.264 4.340 -0.002 0.000 0.199 362 Q C 1.975 177.849 176.000 -0.209 0.000 0.966 362 Q CA 1.401 57.131 55.803 -0.122 0.000 0.845 362 Q CB -0.310 28.344 28.738 -0.141 0.000 0.907 362 Q HN 0.447 nan 8.270 nan 0.000 0.439 363 Q N -0.578 118.990 119.800 -0.387 0.000 2.050 363 Q HA -0.146 4.193 4.340 -0.002 0.000 0.202 363 Q C 2.022 177.987 176.000 -0.059 0.000 0.980 363 Q CA 1.570 57.159 55.803 -0.358 0.000 0.840 363 Q CB -0.316 28.105 28.738 -0.528 0.000 0.898 363 Q HN 0.470 nan 8.270 nan 0.000 0.424 364 L N 0.844 122.093 121.223 0.044 0.000 2.043 364 L HA -0.213 4.126 4.340 -0.002 0.000 0.212 364 L C 2.154 179.086 176.870 0.104 0.000 1.075 364 L CA 2.022 56.936 54.840 0.123 0.000 0.752 364 L CB -0.336 41.827 42.059 0.174 0.000 0.891 364 L HN 0.335 nan 8.230 nan 0.000 0.432 365 E N -0.747 119.500 120.200 0.078 0.000 2.265 365 E HA -0.209 4.139 4.350 -0.002 0.000 0.196 365 E C 1.534 178.172 176.600 0.062 0.000 0.996 365 E CA 0.908 57.353 56.400 0.075 0.000 0.832 365 E CB 0.074 29.808 29.700 0.058 0.000 0.756 365 E HN 0.623 nan 8.360 nan 0.000 0.491 366 N N 0.291 119.018 118.700 0.045 0.000 2.182 366 N HA -0.079 4.659 4.740 -0.002 0.000 0.186 366 N C 1.850 177.422 175.510 0.103 0.000 1.036 366 N CA 0.700 53.782 53.050 0.054 0.000 0.850 366 N CB -0.315 38.183 38.487 0.018 0.000 1.010 366 N HN 0.084 nan 8.380 nan 0.000 0.432 367 I N 1.133 121.785 120.570 0.137 0.000 2.185 367 I HA -0.283 3.886 4.170 -0.002 0.000 0.246 367 I C 2.250 178.472 176.117 0.174 0.000 1.088 367 I CA 1.139 62.559 61.300 0.200 0.000 1.347 367 I CB -0.382 37.762 38.000 0.240 0.000 1.041 367 I HN 0.027 nan 8.210 nan 0.000 0.415 368 S N 0.113 115.894 115.700 0.134 0.000 2.348 368 S HA -0.079 4.390 4.470 -0.002 0.000 0.221 368 S C 1.983 176.644 174.600 0.102 0.000 1.033 368 S CA 1.214 59.481 58.200 0.112 0.000 1.010 368 S CB -0.320 62.938 63.200 0.097 0.000 0.891 368 S HN 0.331 nan 8.310 nan 0.000 0.442 369 L N 0.820 122.097 121.223 0.091 0.000 2.005 369 L HA -0.126 4.212 4.340 -0.002 0.000 0.207 369 L C 2.584 179.508 176.870 0.089 0.000 1.072 369 L CA 1.370 56.256 54.840 0.077 0.000 0.744 369 L CB -0.645 41.451 42.059 0.062 0.000 0.895 369 L HN 0.255 nan 8.230 nan 0.000 0.433 370 E N 0.321 120.584 120.200 0.104 0.000 2.070 370 E HA -0.202 4.147 4.350 -0.002 0.000 0.197 370 E C 2.125 178.812 176.600 0.145 0.000 1.004 370 E CA 1.524 57.994 56.400 0.116 0.000 0.805 370 E CB -0.451 29.328 29.700 0.131 0.000 0.744 370 E HN 0.484 nan 8.360 nan 0.000 0.451 371 G N 0.083 108.994 108.800 0.185 0.000 2.422 371 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.218 371 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.218 371 G C 1.470 176.468 174.900 0.163 0.000 1.146 371 G CA 0.870 46.103 45.100 0.222 0.000 0.769 371 G HN 0.265 nan 8.290 nan 0.000 0.547 372 E N 0.025 120.294 120.200 0.115 0.000 2.072 372 E HA -0.048 4.301 4.350 -0.002 0.000 0.190 372 E C 2.729 179.372 176.600 0.071 0.000 0.982 372 E CA 0.320 56.770 56.400 0.084 0.000 0.803 372 E CB -0.000 29.738 29.700 0.064 0.000 0.755 372 E HN 0.341 nan 8.360 nan 0.000 0.453 373 R N 0.437 120.978 120.500 0.068 0.000 2.096 373 R HA -0.130 4.209 4.340 -0.002 0.000 0.235 373 R C 2.433 178.760 176.300 0.045 0.000 1.127 373 R CA 1.344 57.474 56.100 0.050 0.000 0.968 373 R CB -0.219 30.110 30.300 0.047 0.000 0.861 373 R HN 0.027 nan 8.270 nan 0.000 0.440 374 K N 1.022 121.460 120.400 0.064 0.000 2.147 374 K HA -0.137 4.182 4.320 -0.002 0.000 0.205 374 K C 1.984 178.598 176.600 0.023 0.000 1.049 374 K CA 1.284 57.593 56.287 0.037 0.000 0.936 374 K CB 0.106 32.641 32.500 0.059 0.000 0.722 374 K HN 0.051 nan 8.250 nan 0.000 0.446 375 R N -0.666 119.874 120.500 0.066 0.000 2.161 375 R HA 0.011 4.350 4.340 -0.002 0.000 0.213 375 R C 1.967 178.284 176.300 0.028 0.000 1.055 375 R CA 1.376 57.513 56.100 0.062 0.000 0.996 375 R CB 0.081 30.439 30.300 0.096 0.000 0.901 375 R HN 0.191 nan 8.270 nan 0.000 0.456 376 T N 0.338 114.907 114.554 0.025 0.000 2.857 376 T HA -0.040 4.309 4.350 -0.002 0.000 0.266 376 T C 1.702 176.402 174.700 0.001 0.000 1.048 376 T CA 0.946 63.053 62.100 0.011 0.000 1.139 376 T CB 0.014 68.891 68.868 0.015 0.000 0.874 376 T HN 0.222 nan 8.240 nan 0.000 0.455 377 R N 0.519 121.019 120.500 -0.000 0.000 2.055 377 R HA 0.130 4.469 4.340 -0.002 0.000 0.228 377 R C 2.634 178.922 176.300 -0.020 0.000 1.143 377 R CA 1.158 57.252 56.100 -0.011 0.000 0.945 377 R CB -0.386 29.907 30.300 -0.012 0.000 0.841 377 R HN 0.316 nan 8.270 nan 0.000 0.429 378 M N -0.204 119.380 119.600 -0.026 0.000 2.124 378 M HA -0.235 4.244 4.480 -0.002 0.000 0.253 378 M C 2.268 178.553 176.300 -0.024 0.000 1.077 378 M CA 2.093 57.374 55.300 -0.032 0.000 1.085 378 M CB -0.623 31.958 32.600 -0.032 0.000 1.320 378 M HN 0.433 nan 8.290 nan 0.000 0.404 379 G N -0.316 108.473 108.800 -0.019 0.000 2.403 379 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.216 379 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.216 379 G C 1.526 176.406 174.900 -0.033 0.000 1.154 379 G CA 0.495 45.581 45.100 -0.024 0.000 0.784 379 G HN 0.424 nan 8.290 nan 0.000 0.538 380 K N 0.393 120.775 120.400 -0.030 0.000 2.148 380 K HA 0.018 4.337 4.320 -0.002 0.000 0.204 380 K C 2.424 178.999 176.600 -0.042 0.000 1.050 380 K CA 0.836 57.101 56.287 -0.037 0.000 0.942 380 K CB -0.071 32.413 32.500 -0.026 0.000 0.724 380 K HN 0.176 nan 8.250 nan 0.000 0.446 381 K N 0.989 121.369 120.400 -0.034 0.000 2.002 381 K HA -0.139 4.180 4.320 -0.002 0.000 0.209 381 K C 2.114 178.692 176.600 -0.037 0.000 1.048 381 K CA 1.112 57.380 56.287 -0.032 0.000 0.930 381 K CB -0.245 32.239 32.500 -0.027 0.000 0.714 381 K HN 0.016 nan 8.250 nan 0.000 0.438 382 L N 1.358 122.559 121.223 -0.038 0.000 2.187 382 L HA -0.162 4.176 4.340 -0.002 0.000 0.213 382 L C 1.763 178.598 176.870 -0.058 0.000 1.100 382 L CA 1.429 56.244 54.840 -0.040 0.000 0.765 382 L CB -0.220 41.817 42.059 -0.036 0.000 0.904 382 L HN 0.203 nan 8.230 nan 0.000 0.437 383 L N -1.493 119.686 121.223 -0.073 0.000 2.049 383 L HA -0.144 4.194 4.340 -0.002 0.000 0.203 383 L C 2.470 179.259 176.870 -0.135 0.000 1.074 383 L CA 1.193 55.965 54.840 -0.113 0.000 0.749 383 L CB -0.234 41.754 42.059 -0.120 0.000 0.907 383 L HN 0.323 nan 8.230 nan 0.000 0.439 384 M N -0.233 119.307 119.600 -0.100 0.000 2.144 384 M HA -0.301 4.177 4.480 -0.002 0.000 0.260 384 M C 2.118 178.385 176.300 -0.056 0.000 1.067 384 M CA 1.649 56.902 55.300 -0.078 0.000 1.095 384 M CB -1.186 31.388 32.600 -0.043 0.000 1.365 384 M HN 0.195 nan 8.290 nan 0.000 0.406 385 K N 0.068 120.440 120.400 -0.046 0.000 2.148 385 K HA -0.173 4.146 4.320 -0.002 0.000 0.204 385 K C 1.976 178.559 176.600 -0.028 0.000 1.050 385 K CA 1.245 57.516 56.287 -0.026 0.000 0.942 385 K CB 0.084 32.571 32.500 -0.021 0.000 0.724 385 K HN 0.376 nan 8.250 nan 0.000 0.446 386 Q N -0.221 119.546 119.800 -0.056 0.000 2.245 386 Q HA -0.079 4.260 4.340 -0.002 0.000 0.201 386 Q C 1.744 177.705 176.000 -0.065 0.000 0.955 386 Q CA 0.951 56.720 55.803 -0.057 0.000 0.870 386 Q CB 0.351 29.040 28.738 -0.082 0.000 0.945 386 Q HN 0.335 nan 8.270 nan 0.000 0.461 387 Q N -0.485 119.252 119.800 -0.104 0.000 2.311 387 Q HA -0.087 4.252 4.340 -0.002 0.000 0.203 387 Q C 1.424 177.446 176.000 0.037 0.000 0.954 387 Q CA 0.631 56.376 55.803 -0.096 0.000 0.885 387 Q CB 0.407 29.000 28.738 -0.242 0.000 0.963 387 Q HN 0.025 nan 8.270 nan 0.000 0.471 388 K N 0.704 121.120 120.400 0.027 0.000 1.995 388 K HA -0.041 4.278 4.320 -0.002 0.000 0.207 388 K C 1.810 178.454 176.600 0.073 0.000 1.041 388 K CA 0.940 57.263 56.287 0.059 0.000 0.942 388 K CB -0.402 32.121 32.500 0.039 0.000 0.731 388 K HN -0.105 nan 8.250 nan 0.000 0.439 389 K N 1.195 121.627 120.400 0.054 0.000 2.081 389 K HA -0.223 4.096 4.320 -0.002 0.000 0.222 389 K C 2.073 178.738 176.600 0.109 0.000 1.055 389 K CA 1.671 58.000 56.287 0.070 0.000 0.954 389 K CB -0.888 31.640 32.500 0.047 0.000 0.732 389 K HN 0.048 nan 8.250 nan 0.000 0.458 390 L N 0.807 122.092 121.223 0.103 0.000 1.971 390 L HA -0.171 4.168 4.340 -0.002 0.000 0.215 390 L C 1.984 178.974 176.870 0.199 0.000 1.072 390 L CA 1.850 56.773 54.840 0.140 0.000 0.758 390 L CB -0.532 41.559 42.059 0.053 0.000 0.889 390 L HN 0.346 nan 8.230 nan 0.000 0.433 391 I N -1.343 119.366 120.570 0.232 0.000 2.286 391 I HA -0.135 4.034 4.170 -0.002 0.000 0.248 391 I C 2.530 178.749 176.117 0.170 0.000 1.115 391 I CA 1.118 62.572 61.300 0.257 0.000 1.392 391 I CB -1.629 36.511 38.000 0.233 0.000 1.065 391 I HN 0.345 nan 8.210 nan 0.000 0.418 392 G N 1.234 110.121 108.800 0.145 0.000 2.491 392 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.218 392 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.218 392 G C 1.838 176.828 174.900 0.149 0.000 1.180 392 G CA 1.070 46.244 45.100 0.123 0.000 0.774 392 G HN 0.542 nan 8.290 nan 0.000 0.562 393 A N -0.539 122.394 122.820 0.188 0.000 2.066 393 A HA 0.301 4.619 4.320 -0.002 0.000 0.218 393 A C 2.480 180.236 177.584 0.286 0.000 1.157 393 A CA 1.499 53.694 52.037 0.264 0.000 0.670 393 A CB -0.141 19.061 19.000 0.336 0.000 0.804 393 A HN 0.268 nan 8.150 nan 0.000 0.453 394 V N -0.319 119.692 119.914 0.162 0.000 2.500 394 V HA -0.135 3.984 4.120 -0.002 0.000 0.243 394 V C 2.325 178.510 176.094 0.151 0.000 1.039 394 V CA 1.410 63.732 62.300 0.035 0.000 1.053 394 V CB -0.449 31.392 31.823 0.030 0.000 0.695 394 V HN 0.414 nan 8.190 nan 0.000 0.463 395 K N 0.234 120.700 120.400 0.110 0.000 2.056 395 K HA -0.254 4.065 4.320 -0.002 0.000 0.225 395 K C 0.109 176.755 176.600 0.077 0.000 1.053 395 K CA 2.791 59.117 56.287 0.065 0.000 0.966 395 K CB -1.847 30.692 32.500 0.065 0.000 0.735 395 K HN 0.427 nan 8.250 nan 0.000 0.455 396 P HA -0.195 nan 4.420 nan 0.000 0.211 396 P C 1.459 178.863 177.300 0.172 0.000 1.179 396 P CA 1.469 64.656 63.100 0.145 0.000 0.910 396 P CB -0.640 31.169 31.700 0.182 0.000 0.785 397 W N 1.232 122.589 121.300 0.095 0.000 2.318 397 W HA -0.227 4.432 4.660 -0.002 0.000 0.313 397 W C 2.170 178.720 176.519 0.052 0.000 1.221 397 W CA 1.398 58.813 57.345 0.117 0.000 1.266 397 W CB -1.279 28.322 29.460 0.235 0.000 1.150 397 W HN -0.153 nan 8.180 nan 0.000 0.496 398 L N 0.817 121.878 121.223 -0.270 0.000 2.017 398 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 398 L C 2.438 179.061 176.870 -0.411 0.000 1.073 398 L CA 2.079 56.538 54.840 -0.635 0.000 0.745 398 L CB -1.067 40.772 42.059 -0.367 0.000 0.894 398 L HN 0.172 nan 8.230 nan 0.000 0.432 399 L N -0.709 120.389 121.223 -0.209 0.000 2.093 399 L HA -0.221 4.118 4.340 -0.002 0.000 0.208 399 L C 2.591 179.387 176.870 -0.123 0.000 1.085 399 L CA 1.512 56.269 54.840 -0.140 0.000 0.755 399 L CB -0.494 41.524 42.059 -0.070 0.000 0.904 399 L HN 0.343 nan 8.230 nan 0.000 0.435 400 K N -0.096 120.237 120.400 -0.111 0.000 1.963 400 K HA -0.166 4.152 4.320 -0.002 0.000 0.216 400 K C 1.990 178.527 176.600 -0.104 0.000 1.045 400 K CA 2.066 58.311 56.287 -0.070 0.000 0.954 400 K CB -0.285 32.210 32.500 -0.008 0.000 0.732 400 K HN 0.027 nan 8.250 nan 0.000 0.442 401 T N 0.513 114.940 114.554 -0.211 0.000 2.718 401 T HA -0.206 4.143 4.350 -0.002 0.000 0.266 401 T C 1.703 176.328 174.700 -0.126 0.000 1.033 401 T CA 1.689 63.684 62.100 -0.175 0.000 1.151 401 T CB -0.320 68.221 68.868 -0.546 0.000 0.853 401 T HN 0.101 nan 8.240 nan 0.000 0.466 402 V N 0.592 120.380 119.914 -0.211 0.000 2.649 402 V HA 0.020 4.139 4.120 -0.002 0.000 0.248 402 V C 1.123 177.166 176.094 -0.086 0.000 1.054 402 V CA 1.103 63.296 62.300 -0.178 0.000 1.073 402 V CB -0.275 31.416 31.823 -0.220 0.000 0.699 402 V HN 0.521 nan 8.190 nan 0.000 0.463 403 Q N 1.835 121.595 119.800 -0.067 0.000 2.489 403 Q HA 0.301 4.639 4.340 -0.002 0.000 0.231 403 Q C -0.086 175.916 176.000 0.003 0.000 1.273 403 Q CA 0.408 56.191 55.803 -0.034 0.000 0.898 403 Q CB 0.022 28.739 28.738 -0.035 0.000 1.545 403 Q HN 0.264 nan 8.270 nan 0.000 0.538 404 R N 1.878 122.389 120.500 0.018 0.000 4.264 404 R HA 0.062 4.401 4.340 -0.002 0.000 0.269 404 R C -1.087 175.248 176.300 0.058 0.000 1.051 404 R CA -0.363 55.767 56.100 0.050 0.000 1.332 404 R CB 0.934 31.299 30.300 0.107 0.000 1.251 404 R HN 0.369 nan 8.270 nan 0.000 0.538 405 K N 1.469 121.890 120.400 0.034 0.000 2.187 405 K HA 0.343 4.662 4.320 -0.002 0.000 0.247 405 K C 0.003 176.640 176.600 0.062 0.000 1.019 405 K CA -0.236 56.070 56.287 0.033 0.000 0.893 405 K CB 0.812 33.321 32.500 0.014 0.000 1.025 405 K HN 0.210 nan 8.250 nan 0.000 0.500 406 V N -0.244 119.703 119.914 0.055 0.000 3.046 406 V HA 0.308 4.427 4.120 -0.002 0.000 0.316 406 V C 0.816 176.938 176.094 0.046 0.000 1.104 406 V CA -0.272 62.075 62.300 0.078 0.000 1.006 406 V CB 1.819 33.692 31.823 0.082 0.000 1.058 406 V HN 1.141 nan 8.190 nan 0.000 0.440 407 T N -1.848 112.736 114.554 0.051 0.000 3.764 407 T HA 0.270 4.619 4.350 -0.002 0.000 0.300 407 T C 0.233 174.953 174.700 0.034 0.000 0.943 407 T CA 0.919 63.038 62.100 0.031 0.000 1.151 407 T CB 0.232 69.110 68.868 0.017 0.000 1.116 407 T HN 1.551 nan 8.240 nan 0.000 0.483 413 A N 0.747 123.658 122.820 0.151 0.000 2.248 413 A HA -0.027 4.292 4.320 -0.002 0.000 0.210 413 A C 1.005 178.618 177.584 0.049 0.000 1.174 413 A CA 1.207 53.305 52.037 0.102 0.000 0.750 413 A CB -0.325 18.709 19.000 0.057 0.000 0.780 413 A HN 0.258 nan 8.150 nan 0.000 0.478 414 D N -1.379 119.023 120.400 0.002 0.000 2.339 414 D HA 0.201 4.840 4.640 -0.002 0.000 0.217 414 D C -0.591 175.419 176.300 -0.483 0.000 1.050 414 D CA 0.466 54.319 54.000 -0.246 0.000 0.856 414 D CB 0.137 40.722 40.800 -0.359 0.000 0.922 414 D HN 0.450 nan 8.370 nan 0.000 0.518 415 F N 0.537 120.543 119.950 0.093 0.000 2.577 415 F HA 0.240 4.766 4.527 -0.002 0.000 0.318 415 F C 0.617 176.545 175.800 0.214 0.000 1.065 415 F CA -1.170 56.912 58.000 0.136 0.000 0.929 415 F CB 1.884 40.963 39.000 0.132 0.000 1.237 415 F HN -0.381 nan 8.300 nan 0.000 0.468 416 E N 1.789 122.308 120.200 0.532 0.000 2.316 416 E HA 0.272 4.621 4.350 -0.002 0.000 0.275 416 E C -0.828 176.142 176.600 0.617 0.000 1.029 416 E CA -0.615 56.090 56.400 0.509 0.000 0.871 416 E CB 0.911 30.931 29.700 0.533 0.000 1.022 416 E HN 0.389 nan 8.360 nan 0.000 0.418 417 I N 4.029 124.774 120.570 0.293 0.000 2.638 417 I HA 0.075 4.244 4.170 -0.002 0.000 0.286 417 I C -0.502 175.588 176.117 -0.044 0.000 1.088 417 I CA 0.291 61.705 61.300 0.189 0.000 1.397 417 I CB 0.559 38.530 38.000 -0.049 0.000 1.414 417 I HN 0.440 nan 8.210 nan 0.000 0.566 418 F N 8.299 128.068 119.950 -0.302 0.000 2.359 418 F HA 0.542 5.067 4.527 -0.002 0.000 0.370 418 F C -2.329 173.361 175.800 -0.184 0.000 1.077 418 F CA -2.468 55.206 58.000 -0.544 0.000 1.136 418 F CB 0.551 38.890 39.000 -1.101 0.000 1.387 418 F HN 0.324 nan 8.300 nan 0.000 0.468 419 P HA 0.194 nan 4.420 nan 0.000 0.272 419 P C -1.018 176.127 177.300 -0.258 0.000 1.223 419 P CA 0.019 62.999 63.100 -0.200 0.000 0.784 419 P CB 0.920 32.490 31.700 -0.217 0.000 0.923 420 L N 2.231 123.410 121.223 -0.074 0.000 2.319 420 L HA 0.284 4.623 4.340 -0.002 0.000 0.281 420 L C 1.436 178.278 176.870 -0.048 0.000 1.005 420 L CA -0.367 54.432 54.840 -0.068 0.000 0.828 420 L CB 1.652 43.657 42.059 -0.090 0.000 1.227 420 L HN 0.312 nan 8.230 nan 0.000 0.415 421 E N 1.553 121.713 120.200 -0.068 0.000 2.016 421 E HA -0.146 4.203 4.350 -0.002 0.000 0.190 421 E C 0.438 177.010 176.600 -0.046 0.000 0.985 421 E CA 1.145 57.514 56.400 -0.052 0.000 0.802 421 E CB 0.161 29.827 29.700 -0.057 0.000 0.762 421 E HN 0.495 nan 8.360 nan 0.000 0.448 422 D N 0.571 120.935 120.400 -0.060 0.000 2.441 422 D HA 0.013 4.652 4.640 -0.002 0.000 0.243 422 D C 0.494 176.722 176.300 -0.121 0.000 1.257 422 D CA 0.179 54.136 54.000 -0.071 0.000 1.027 422 D CB 0.159 40.922 40.800 -0.063 0.000 1.084 422 D HN 0.112 nan 8.370 nan 0.000 0.514 423 K N 1.758 122.092 120.400 -0.109 0.000 2.032 423 K HA -0.153 4.166 4.320 -0.002 0.000 0.209 423 K C 1.639 178.106 176.600 -0.223 0.000 1.048 423 K CA 0.989 57.163 56.287 -0.188 0.000 0.927 423 K CB 0.226 32.706 32.500 -0.033 0.000 0.712 423 K HN 0.466 nan 8.250 nan 0.000 0.441 424 E N 0.747 120.873 120.200 -0.124 0.000 2.070 424 E HA -0.243 4.106 4.350 -0.002 0.000 0.197 424 E C 2.104 178.632 176.600 -0.121 0.000 1.004 424 E CA 1.240 57.578 56.400 -0.104 0.000 0.805 424 E CB -0.191 29.470 29.700 -0.065 0.000 0.744 424 E HN 0.152 nan 8.360 nan 0.000 0.451 425 L N 0.766 121.919 121.223 -0.117 0.000 2.093 425 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 425 L C 2.221 179.013 176.870 -0.131 0.000 1.085 425 L CA 1.069 55.846 54.840 -0.105 0.000 0.755 425 L CB -0.090 41.919 42.059 -0.083 0.000 0.904 425 L HN -0.095 nan 8.230 nan 0.000 0.435 426 V N 1.013 120.804 119.914 -0.205 0.000 2.237 426 V HA -0.299 3.820 4.120 -0.002 0.000 0.245 426 V C 2.750 178.695 176.094 -0.249 0.000 1.046 426 V CA 2.313 64.455 62.300 -0.263 0.000 1.007 426 V CB -0.914 30.627 31.823 -0.470 0.000 0.638 426 V HN 0.605 nan 8.190 nan 0.000 0.445 427 R N 1.678 121.985 120.500 -0.320 0.000 2.159 427 R HA -0.096 4.243 4.340 -0.002 0.000 0.237 427 R C 2.155 178.398 176.300 -0.096 0.000 1.131 427 R CA 1.558 57.542 56.100 -0.193 0.000 0.982 427 R CB -0.930 29.273 30.300 -0.161 0.000 0.868 427 R HN 0.424 nan 8.270 nan 0.000 0.453 428 A N 1.488 124.253 122.820 -0.091 0.000 2.131 428 A HA -0.091 4.227 4.320 -0.002 0.000 0.220 428 A C 1.017 178.584 177.584 -0.028 0.000 1.158 428 A CA 1.150 53.154 52.037 -0.054 0.000 0.665 428 A CB -0.161 18.804 19.000 -0.059 0.000 0.795 428 A HN 0.409 nan 8.150 nan 0.000 0.460 429 N N -0.793 117.895 118.700 -0.020 0.000 2.517 429 N HA 0.273 5.012 4.740 -0.002 0.000 0.285 429 N C 0.491 176.061 175.510 0.101 0.000 1.528 429 N CA -0.052 53.026 53.050 0.046 0.000 0.892 429 N CB 0.714 39.227 38.487 0.044 0.000 1.356 429 N HN 0.340 nan 8.380 nan 0.000 0.495 430 L N -0.031 121.227 121.223 0.058 0.000 2.109 430 L HA -0.065 4.274 4.340 -0.002 0.000 0.207 430 L C 1.659 178.587 176.870 0.096 0.000 1.086 430 L CA 1.087 55.968 54.840 0.069 0.000 0.760 430 L CB -0.009 42.078 42.059 0.046 0.000 0.910 430 L HN 0.014 nan 8.230 nan 0.000 0.437 431 D N -0.306 120.152 120.400 0.097 0.000 2.144 431 D HA -0.206 4.433 4.640 -0.002 0.000 0.200 431 D C 1.900 178.276 176.300 0.128 0.000 0.978 431 D CA 1.168 55.224 54.000 0.093 0.000 0.833 431 D CB -0.080 40.766 40.800 0.077 0.000 0.961 431 D HN 0.210 nan 8.370 nan 0.000 0.470 432 F N 1.730 121.713 119.950 0.055 0.000 2.051 432 F HA -0.148 4.378 4.527 -0.002 0.000 0.296 432 F C 2.246 178.132 175.800 0.143 0.000 1.122 432 F CA 1.199 59.248 58.000 0.081 0.000 1.201 432 F CB -0.574 38.450 39.000 0.040 0.000 0.978 432 F HN -0.163 nan 8.300 nan 0.000 0.472 433 L N 0.259 121.504 121.223 0.037 0.000 2.043 433 L HA -0.284 4.055 4.340 -0.002 0.000 0.212 433 L C 2.464 179.414 176.870 0.133 0.000 1.075 433 L CA 1.840 56.708 54.840 0.047 0.000 0.752 433 L CB -0.732 41.425 42.059 0.162 0.000 0.891 433 L HN 0.149 nan 8.230 nan 0.000 0.432 434 K N -0.597 119.866 120.400 0.105 0.000 2.228 434 K HA -0.145 4.174 4.320 -0.002 0.000 0.202 434 K C 2.011 178.676 176.600 0.107 0.000 1.051 434 K CA 0.710 57.078 56.287 0.134 0.000 0.960 434 K CB 0.062 32.623 32.500 0.101 0.000 0.743 434 K HN 0.305 nan 8.250 nan 0.000 0.458 435 E N 0.274 120.492 120.200 0.030 0.000 2.047 435 E HA -0.174 4.175 4.350 -0.002 0.000 0.191 435 E C 1.742 178.362 176.600 0.035 0.000 0.987 435 E CA 0.831 57.248 56.400 0.029 0.000 0.799 435 E CB -0.044 29.642 29.700 -0.023 0.000 0.752 435 E HN 0.221 nan 8.360 nan 0.000 0.449 436 F N 1.193 120.943 119.950 -0.333 0.000 2.069 436 F HA -0.229 4.297 4.527 -0.002 0.000 0.298 436 F C 2.095 177.753 175.800 -0.236 0.000 1.113 436 F CA 1.753 59.525 58.000 -0.379 0.000 1.214 436 F CB -0.396 38.213 39.000 -0.652 0.000 0.978 436 F HN 0.044 nan 8.300 nan 0.000 0.474 437 A N 0.263 123.165 122.820 0.137 0.000 1.917 437 A HA -0.264 4.055 4.320 -0.002 0.000 0.219 437 A C 2.140 179.692 177.584 -0.054 0.000 1.182 437 A CA 1.823 53.862 52.037 0.004 0.000 0.633 437 A CB -1.708 17.458 19.000 0.276 0.000 0.819 437 A HN 0.599 nan 8.150 nan 0.000 0.448 438 F N 1.360 121.251 119.950 -0.098 0.000 2.095 438 F HA -0.193 4.333 4.527 -0.002 0.000 0.298 438 F C 1.624 177.331 175.800 -0.155 0.000 1.104 438 F CA 2.228 60.169 58.000 -0.100 0.000 1.232 438 F CB -0.230 38.731 39.000 -0.064 0.000 0.987 438 F HN 0.258 nan 8.300 nan 0.000 0.475 439 D N 0.255 120.545 120.400 -0.184 0.000 2.269 439 D HA -0.065 4.573 4.640 -0.002 0.000 0.208 439 D C 1.897 177.957 176.300 -0.399 0.000 0.963 439 D CA 1.155 54.974 54.000 -0.301 0.000 0.864 439 D CB -0.248 40.451 40.800 -0.169 0.000 0.936 439 D HN 0.353 nan 8.370 nan 0.000 0.505 440 L N -0.560 120.388 121.223 -0.459 0.000 2.628 440 L HA 0.291 4.629 4.340 -0.002 0.000 0.229 440 L C 1.029 177.669 176.870 -0.383 0.000 1.137 440 L CA -0.113 54.452 54.840 -0.459 0.000 0.909 440 L CB 0.013 41.699 42.059 -0.622 0.000 1.137 440 L HN -0.030 nan 8.230 nan 0.000 0.470 441 G N 1.302 109.878 108.800 -0.375 0.000 2.338 441 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.296 441 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.296 441 G C -0.177 174.589 174.900 -0.224 0.000 1.040 441 G CA 0.249 45.166 45.100 -0.305 0.000 1.004 441 G HN 0.259 nan 8.290 nan 0.000 0.509 442 L N -1.397 119.723 121.223 -0.171 0.000 2.256 442 L HA 0.802 5.141 4.340 -0.002 0.000 0.261 442 L C 0.545 177.453 176.870 0.065 0.000 1.022 442 L CA -1.447 53.366 54.840 -0.045 0.000 0.828 442 L CB 1.948 43.951 42.059 -0.094 0.000 1.374 442 L HN 0.099 nan 8.230 nan 0.000 0.436 443 I N 1.323 121.997 120.570 0.173 0.000 2.545 443 I HA 0.232 4.401 4.170 -0.002 0.000 0.292 443 I C -1.029 175.239 176.117 0.252 0.000 1.040 443 I CA -0.702 60.699 61.300 0.168 0.000 1.068 443 I CB 2.591 40.642 38.000 0.086 0.000 1.251 443 I HN 0.242 nan 8.210 nan 0.000 0.424 444 L N 6.692 128.045 121.223 0.216 0.000 2.328 444 L HA 0.597 4.936 4.340 -0.002 0.000 0.280 444 L C 0.201 177.038 176.870 -0.055 0.000 1.111 444 L CA 0.137 55.064 54.840 0.144 0.000 0.909 444 L CB -0.050 42.138 42.059 0.215 0.000 1.277 444 L HN 0.658 nan 8.230 nan 0.000 0.433 445 A N 5.034 127.648 122.820 -0.342 0.000 2.256 445 A HA 0.816 5.135 4.320 -0.002 0.000 0.318 445 A C -0.639 176.583 177.584 -0.603 0.000 1.103 445 A CA -0.318 51.347 52.037 -0.619 0.000 0.860 445 A CB 0.544 18.989 19.000 -0.926 0.000 1.182 445 A HN 0.883 nan 8.150 nan 0.000 0.501 446 H N -1.213 117.619 119.070 -0.396 0.000 3.042 446 H HA 0.518 5.073 4.556 -0.002 0.000 0.346 446 H C -0.559 174.694 175.328 -0.124 0.000 1.294 446 H CA -0.177 55.672 56.048 -0.331 0.000 1.141 446 H CB 0.520 29.851 29.762 -0.718 0.000 1.872 446 H HN 0.794 nan 8.280 nan 0.000 0.541 447 S N 0.506 116.249 115.700 0.071 0.000 2.563 447 S HA -0.002 4.467 4.470 -0.002 0.000 0.284 447 S C 1.163 175.799 174.600 0.059 0.000 1.331 447 S CA -0.125 58.106 58.200 0.052 0.000 1.047 447 S CB 1.393 64.607 63.200 0.023 0.000 0.859 447 S HN 0.712 nan 8.310 nan 0.000 0.514 448 K N 1.639 122.061 120.400 0.036 0.000 2.127 448 K HA -0.192 4.127 4.320 -0.002 0.000 0.212 448 K C 2.163 178.780 176.600 0.027 0.000 1.050 448 K CA 2.257 58.565 56.287 0.035 0.000 0.929 448 K CB -0.445 32.066 32.500 0.018 0.000 0.715 448 K HN 0.817 nan 8.250 nan 0.000 0.457 449 S N 0.074 115.779 115.700 0.009 0.000 2.558 449 S HA 0.100 4.569 4.470 -0.002 0.000 0.217 449 S C 0.189 174.771 174.600 -0.031 0.000 0.975 449 S CA 0.055 58.252 58.200 -0.005 0.000 0.912 449 S CB 0.097 63.295 63.200 -0.002 0.000 0.776 449 S HN 0.218 nan 8.310 nan 0.000 0.526 450 K N 1.165 121.516 120.400 -0.081 0.000 3.016 450 K HA -0.181 4.138 4.320 -0.002 0.000 0.262 450 K C -0.272 176.269 176.600 -0.097 0.000 1.043 450 K CA 1.057 57.204 56.287 -0.233 0.000 0.761 450 K CB -1.305 31.069 32.500 -0.210 0.000 1.230 450 K HN 0.721 nan 8.250 nan 0.000 0.485 451 D N -0.158 120.218 120.400 -0.040 0.000 2.349 451 D HA 0.083 4.721 4.640 -0.002 0.000 0.214 451 D C 0.292 176.627 176.300 0.058 0.000 1.063 451 D CA -0.049 53.971 54.000 0.032 0.000 0.847 451 D CB 0.266 41.077 40.800 0.018 0.000 0.933 451 D HN 0.193 nan 8.370 nan 0.000 0.513 452 L N 0.112 121.348 121.223 0.021 0.000 2.464 452 L HA 0.532 4.871 4.340 -0.002 0.000 0.266 452 L C -2.241 174.684 176.870 0.092 0.000 0.965 452 L CA -0.981 53.916 54.840 0.095 0.000 0.833 452 L CB 1.931 44.023 42.059 0.056 0.000 1.296 452 L HN -0.153 nan 8.230 nan 0.000 0.405 453 Y N 4.894 125.285 120.300 0.152 0.000 2.442 453 Y HA 0.722 5.271 4.550 -0.002 0.000 0.344 453 Y C -1.000 174.978 175.900 0.129 0.000 0.976 453 Y CA -0.443 57.727 58.100 0.115 0.000 1.040 453 Y CB 2.037 40.486 38.460 -0.019 0.000 1.228 453 Y HN 0.602 nan 8.280 nan 0.000 0.451 454 Y N -0.488 119.837 120.300 0.042 0.000 2.552 454 Y HA 0.664 5.212 4.550 -0.002 0.000 0.337 454 Y C -1.604 174.266 175.900 -0.050 0.000 1.094 454 Y CA -2.425 55.644 58.100 -0.052 0.000 1.028 454 Y CB 0.786 39.246 38.460 0.001 0.000 1.321 454 Y HN 0.394 nan 8.280 nan 0.000 0.456 455 F N 2.856 122.979 119.950 0.288 0.000 2.471 455 F HA 0.418 4.944 4.527 -0.002 0.000 0.353 455 F C 0.480 176.521 175.800 0.403 0.000 1.113 455 F CA -0.089 58.069 58.000 0.263 0.000 1.262 455 F CB 0.975 40.157 39.000 0.304 0.000 1.146 455 F HN 0.600 nan 8.300 nan 0.000 0.578 456 K N 2.032 122.769 120.400 0.562 0.000 2.443 456 K HA 0.677 4.996 4.320 -0.002 0.000 0.251 456 K C -1.648 175.164 176.600 0.353 0.000 0.972 456 K CA -1.227 55.378 56.287 0.531 0.000 0.833 456 K CB 1.805 34.571 32.500 0.444 0.000 1.317 456 K HN 0.469 nan 8.250 nan 0.000 0.441 457 L N 2.127 123.471 121.223 0.202 0.000 2.410 457 L HA 0.139 4.478 4.340 -0.002 0.000 0.273 457 L C -0.264 176.553 176.870 -0.089 0.000 1.152 457 L CA 0.456 55.240 54.840 -0.093 0.000 0.855 457 L CB 0.687 42.458 42.059 -0.480 0.000 1.129 457 L HN 0.800 nan 8.230 nan 0.000 0.463 458 D N 4.670 125.010 120.400 -0.100 0.000 2.470 458 D HA -0.030 4.609 4.640 -0.002 0.000 0.226 458 D C 0.949 177.184 176.300 -0.108 0.000 1.196 458 D CA -0.290 53.669 54.000 -0.068 0.000 0.979 458 D CB 0.599 41.366 40.800 -0.055 0.000 1.059 458 D HN 0.553 nan 8.370 nan 0.000 0.515 459 L N 4.022 125.189 121.223 -0.093 0.000 1.973 459 L HA -0.092 4.247 4.340 -0.002 0.000 0.208 459 L C 1.699 178.544 176.870 -0.042 0.000 1.073 459 L CA 1.685 56.473 54.840 -0.087 0.000 0.746 459 L CB -1.092 40.957 42.059 -0.016 0.000 0.891 459 L HN 0.377 nan 8.230 nan 0.000 0.433 460 D N -0.896 119.497 120.400 -0.011 0.000 4.269 460 D HA -0.392 4.247 4.640 -0.002 0.000 0.343 460 D C 2.363 178.654 176.300 -0.014 0.000 1.351 460 D CA 2.494 56.492 54.000 -0.003 0.000 1.052 460 D CB -0.558 40.245 40.800 0.005 0.000 0.912 460 D HN 0.432 nan 8.370 nan 0.000 0.642 461 S N -1.196 114.487 115.700 -0.028 0.000 2.402 461 S HA -0.125 4.344 4.470 -0.002 0.000 0.233 461 S C 1.073 175.643 174.600 -0.049 0.000 1.030 461 S CA 0.994 59.171 58.200 -0.039 0.000 1.003 461 S CB -0.348 62.816 63.200 -0.061 0.000 0.813 461 S HN 0.349 nan 8.310 nan 0.000 0.477 505 S N 1.440 117.253 115.700 0.189 0.000 2.563 505 S HA -0.042 4.426 4.470 -0.002 0.000 0.269 505 S C 1.180 175.957 174.600 0.295 0.000 1.364 505 S CA 0.337 58.700 58.200 0.271 0.000 1.010 505 S CB 0.919 64.350 63.200 0.385 0.000 0.877 505 S HN 0.822 nan 8.310 nan 0.000 0.549 506 E N 2.646 122.977 120.200 0.218 0.000 2.047 506 E HA -0.269 4.080 4.350 -0.002 0.000 0.191 506 E C 2.016 178.724 176.600 0.180 0.000 0.987 506 E CA 1.592 58.091 56.400 0.165 0.000 0.799 506 E CB -0.724 29.049 29.700 0.120 0.000 0.752 506 E HN 0.945 nan 8.360 nan 0.000 0.449 507 R N -0.330 120.313 120.500 0.239 0.000 2.189 507 R HA -0.020 4.319 4.340 -0.002 0.000 0.223 507 R C 2.344 178.806 176.300 0.269 0.000 1.092 507 R CA 1.196 57.456 56.100 0.267 0.000 0.989 507 R CB -0.898 29.598 30.300 0.326 0.000 0.876 507 R HN 0.155 nan 8.270 nan 0.000 0.457 508 F N 2.115 122.079 119.950 0.023 0.000 2.113 508 F HA -0.056 4.470 4.527 -0.002 0.000 0.297 508 F C 1.830 177.557 175.800 -0.121 0.000 1.103 508 F CA 1.143 58.908 58.000 -0.391 0.000 1.248 508 F CB -0.064 38.770 39.000 -0.276 0.000 0.999 508 F HN -0.196 nan 8.300 nan 0.000 0.475 509 V N 0.267 120.125 119.914 -0.093 0.000 2.970 509 V HA -0.142 3.977 4.120 -0.002 0.000 0.260 509 V C 2.249 178.262 176.094 -0.135 0.000 1.100 509 V CA 1.375 63.561 62.300 -0.190 0.000 1.122 509 V CB -0.738 31.062 31.823 -0.038 0.000 0.721 509 V HN 0.269 nan 8.190 nan 0.000 0.483 510 E N -0.171 120.017 120.200 -0.021 0.000 2.028 510 E HA -0.224 4.124 4.350 -0.002 0.000 0.191 510 E C 1.872 178.502 176.600 0.051 0.000 0.988 510 E CA 1.642 58.061 56.400 0.032 0.000 0.799 510 E CB -0.323 29.436 29.700 0.099 0.000 0.755 510 E HN 0.827 nan 8.360 nan 0.000 0.447 511 W N 2.597 123.845 121.300 -0.087 0.000 2.392 511 W HA -0.155 4.504 4.660 -0.002 0.000 0.279 511 W C 2.171 178.647 176.519 -0.072 0.000 1.225 511 W CA 1.484 58.798 57.345 -0.051 0.000 1.233 511 W CB -0.009 29.448 29.460 -0.005 0.000 1.122 511 W HN -0.037 nan 8.180 nan 0.000 0.561 512 K N 0.693 120.781 120.400 -0.520 0.000 1.973 512 K HA -0.207 4.112 4.320 -0.002 0.000 0.212 512 K C 1.883 178.352 176.600 -0.218 0.000 1.047 512 K CA 2.304 58.201 56.287 -0.650 0.000 0.937 512 K CB -0.799 31.337 32.500 -0.606 0.000 0.721 512 K HN 0.016 nan 8.250 nan 0.000 0.440 513 D N -0.064 120.228 120.400 -0.181 0.000 2.309 513 D HA -0.131 4.508 4.640 -0.002 0.000 0.212 513 D C 1.591 177.860 176.300 -0.051 0.000 0.968 513 D CA 0.672 54.602 54.000 -0.116 0.000 0.882 513 D CB 0.272 40.982 40.800 -0.151 0.000 0.918 513 D HN 0.286 nan 8.370 nan 0.000 0.503 514 Q N -0.597 119.161 119.800 -0.071 0.000 2.425 514 Q HA -0.085 4.253 4.340 -0.002 0.000 0.204 514 Q C 1.395 177.350 176.000 -0.074 0.000 0.933 514 Q CA 0.172 55.950 55.803 -0.041 0.000 0.939 514 Q CB 0.202 28.959 28.738 0.030 0.000 1.044 514 Q HN 0.505 nan 8.270 nan 0.000 0.513 515 Y N -0.987 119.130 120.300 -0.306 0.000 2.347 515 Y HA -0.118 4.431 4.550 -0.002 0.000 0.294 515 Y C 1.235 176.948 175.900 -0.311 0.000 1.117 515 Y CA 0.969 58.838 58.100 -0.385 0.000 1.184 515 Y CB -0.064 37.976 38.460 -0.700 0.000 1.047 515 Y HN -0.044 nan 8.280 nan 0.000 0.546 516 Y N 0.827 120.926 120.300 -0.334 0.000 2.153 516 Y HA -0.094 4.454 4.550 -0.002 0.000 0.289 516 Y C 2.646 178.351 175.900 -0.325 0.000 1.127 516 Y CA 1.798 59.679 58.100 -0.365 0.000 1.131 516 Y CB -0.636 37.698 38.460 -0.211 0.000 0.995 516 Y HN -0.024 nan 8.280 nan 0.000 0.505 517 K N 0.471 120.838 120.400 -0.055 0.000 2.001 517 K HA -0.271 4.048 4.320 -0.002 0.000 0.214 517 K C 1.603 178.119 176.600 -0.140 0.000 1.050 517 K CA 2.289 58.527 56.287 -0.082 0.000 0.934 517 K CB -0.483 31.983 32.500 -0.057 0.000 0.718 517 K HN 0.228 nan 8.250 nan 0.000 0.443 518 D N 0.158 120.458 120.400 -0.166 0.000 2.242 518 D HA -0.148 4.491 4.640 -0.002 0.000 0.193 518 D C 0.593 176.710 176.300 -0.306 0.000 1.005 518 D CA 1.651 55.533 54.000 -0.197 0.000 0.856 518 D CB 0.175 40.863 40.800 -0.187 0.000 1.001 518 D HN 0.051 nan 8.370 nan 0.000 0.452 527 T N 0.536 115.021 114.554 -0.116 0.000 6.176 527 T HA -0.071 4.278 4.350 -0.002 0.000 0.303 527 T C 1.010 175.669 174.700 -0.068 0.000 0.859 527 T CA 1.961 64.014 62.100 -0.077 0.000 1.146 527 T CB -0.392 68.443 68.868 -0.056 0.000 0.871 527 T HN 0.256 nan 8.240 nan 0.000 0.256 528 D N -0.970 119.401 120.400 -0.049 0.000 2.594 528 D HA 0.162 4.801 4.640 -0.002 0.000 0.256 528 D C 1.174 177.460 176.300 -0.023 0.000 1.393 528 D CA -0.147 53.832 54.000 -0.035 0.000 0.797 528 D CB -0.372 40.415 40.800 -0.021 0.000 1.110 528 D HN 0.403 nan 8.370 nan 0.000 0.495 529 S N 0.277 115.957 115.700 -0.035 0.000 2.425 529 S HA 0.026 4.495 4.470 -0.002 0.000 0.225 529 S C 1.902 176.469 174.600 -0.055 0.000 1.024 529 S CA 0.162 58.347 58.200 -0.025 0.000 0.951 529 S CB 0.063 63.248 63.200 -0.026 0.000 0.796 529 S HN 0.311 nan 8.310 nan 0.000 0.498 530 L N 1.745 122.919 121.223 -0.081 0.000 2.056 530 L HA 0.040 4.379 4.340 -0.002 0.000 0.207 530 L C 1.931 178.776 176.870 -0.041 0.000 1.078 530 L CA 1.518 56.303 54.840 -0.092 0.000 0.749 530 L CB -0.259 41.675 42.059 -0.207 0.000 0.901 530 L HN 0.079 nan 8.230 nan 0.000 0.433 531 K N -0.314 120.065 120.400 -0.034 0.000 2.574 531 K HA -0.150 4.169 4.320 -0.002 0.000 0.193 531 K C 1.472 178.092 176.600 0.033 0.000 1.035 531 K CA 0.737 57.024 56.287 0.000 0.000 0.982 531 K CB 0.122 32.618 32.500 -0.008 0.000 0.795 531 K HN 0.531 nan 8.250 nan 0.000 0.491 532 E N 0.027 120.247 120.200 0.033 0.000 2.399 532 E HA 0.021 4.370 4.350 -0.002 0.000 0.205 532 E C 1.743 178.424 176.600 0.136 0.000 0.906 532 E CA -0.059 56.388 56.400 0.079 0.000 0.998 532 E CB 0.276 30.020 29.700 0.073 0.000 1.002 532 E HN 0.168 nan 8.360 nan 0.000 0.501 533 M N 0.511 120.116 119.600 0.008 0.000 2.098 533 M HA -0.102 4.376 4.480 -0.002 0.000 0.262 533 M C 2.021 178.439 176.300 0.195 0.000 1.072 533 M CA 1.637 56.855 55.300 -0.136 0.000 1.133 533 M CB -0.145 32.169 32.600 -0.477 0.000 1.344 533 M HN -0.058 nan 8.290 nan 0.000 0.414 534 T N 0.939 115.588 114.554 0.159 0.000 2.580 534 T HA -0.220 4.129 4.350 -0.002 0.000 0.265 534 T C 1.467 176.337 174.700 0.285 0.000 1.063 534 T CA 2.066 64.300 62.100 0.224 0.000 1.170 534 T CB -0.607 68.345 68.868 0.139 0.000 0.863 534 T HN 0.513 nan 8.240 nan 0.000 0.418 535 E N 0.673 120.998 120.200 0.210 0.000 2.279 535 E HA -0.237 4.112 4.350 -0.002 0.000 0.205 535 E C 2.121 178.900 176.600 0.298 0.000 1.028 535 E CA 0.943 57.469 56.400 0.210 0.000 0.830 535 E CB -0.278 29.507 29.700 0.141 0.000 0.736 535 E HN 0.529 nan 8.360 nan 0.000 0.478 536 N N -0.799 118.134 118.700 0.389 0.000 2.336 536 N HA -0.114 4.625 4.740 -0.002 0.000 0.177 536 N C 1.678 177.635 175.510 0.746 0.000 1.018 536 N CA 0.192 53.547 53.050 0.507 0.000 0.878 536 N CB 0.093 38.846 38.487 0.444 0.000 0.997 536 N HN 0.081 nan 8.380 nan 0.000 0.433 537 Y N 2.120 122.782 120.300 0.603 0.000 2.090 537 Y HA -0.156 4.393 4.550 -0.002 0.000 0.274 537 Y C 2.379 178.481 175.900 0.337 0.000 1.110 537 Y CA 1.364 59.716 58.100 0.420 0.000 1.092 537 Y CB -0.695 37.953 38.460 0.313 0.000 0.992 537 Y HN -0.203 nan 8.280 nan 0.000 0.479 538 V N 0.066 120.278 119.914 0.496 0.000 2.613 538 V HA -0.365 3.754 4.120 -0.002 0.000 0.259 538 V C 2.205 178.469 176.094 0.284 0.000 1.099 538 V CA 1.946 64.491 62.300 0.407 0.000 1.115 538 V CB -1.606 30.452 31.823 0.391 0.000 0.686 538 V HN 0.674 nan 8.190 nan 0.000 0.481 539 G N -0.847 108.127 108.800 0.290 0.000 2.656 539 G HA2 0.123 4.082 3.960 -0.002 0.000 0.211 539 G HA3 0.123 4.082 3.960 -0.002 0.000 0.211 539 G C 1.479 176.474 174.900 0.158 0.000 1.137 539 G CA 0.599 45.842 45.100 0.239 0.000 0.802 539 G HN 0.551 nan 8.290 nan 0.000 0.527 540 G N 1.467 110.366 108.800 0.165 0.000 2.421 540 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.216 540 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.216 540 G C 1.771 176.520 174.900 -0.252 0.000 1.171 540 G CA 0.738 45.721 45.100 -0.196 0.000 0.775 540 G HN 0.371 nan 8.290 nan 0.000 0.543 541 L N -0.098 121.039 121.223 -0.143 0.000 2.010 541 L HA -0.225 4.114 4.340 -0.002 0.000 0.219 541 L C 3.108 179.890 176.870 -0.146 0.000 1.077 541 L CA 1.521 56.295 54.840 -0.110 0.000 0.773 541 L CB -0.413 41.656 42.059 0.016 0.000 0.892 541 L HN 0.216 nan 8.230 nan 0.000 0.436 542 Q N -1.321 118.395 119.800 -0.140 0.000 2.291 542 Q HA -0.239 4.100 4.340 -0.002 0.000 0.206 542 Q C 1.856 177.546 176.000 -0.516 0.000 0.976 542 Q CA 1.544 57.164 55.803 -0.305 0.000 0.875 542 Q CB -0.153 28.495 28.738 -0.150 0.000 0.927 542 Q HN 0.629 nan 8.270 nan 0.000 0.450 543 W N 0.131 120.961 121.300 -0.783 0.000 2.444 543 W HA -0.157 4.502 4.660 -0.002 0.000 0.308 543 W C 1.918 177.935 176.519 -0.836 0.000 1.183 543 W CA 1.217 57.870 57.345 -1.153 0.000 1.340 543 W CB -0.265 28.214 29.460 -1.636 0.000 1.138 543 W HN -0.160 nan 8.180 nan 0.000 0.510 544 V N 1.352 120.988 119.914 -0.464 0.000 2.220 544 V HA -0.406 3.712 4.120 -0.002 0.000 0.250 544 V C 2.367 178.106 176.094 -0.591 0.000 1.056 544 V CA 2.033 63.977 62.300 -0.593 0.000 1.016 544 V CB -1.564 30.069 31.823 -0.317 0.000 0.639 544 V HN 0.211 nan 8.190 nan 0.000 0.446 545 L N -1.380 119.637 121.223 -0.344 0.000 2.129 545 L HA -0.207 4.132 4.340 -0.002 0.000 0.212 545 L C 2.450 179.224 176.870 -0.160 0.000 1.087 545 L CA 2.197 56.939 54.840 -0.165 0.000 0.757 545 L CB -1.266 40.657 42.059 -0.225 0.000 0.896 545 L HN 0.421 nan 8.230 nan 0.000 0.434 546 Y N -2.008 118.030 120.300 -0.436 0.000 2.314 546 Y HA -0.186 4.363 4.550 -0.002 0.000 0.294 546 Y C 2.507 178.084 175.900 -0.539 0.000 1.119 546 Y CA 0.097 57.923 58.100 -0.455 0.000 1.179 546 Y CB -0.947 37.172 38.460 -0.569 0.000 1.025 546 Y HN 0.087 nan 8.280 nan 0.000 0.541 547 Y N -0.380 119.397 120.300 -0.872 0.000 2.049 547 Y HA -0.347 4.202 4.550 -0.002 0.000 0.277 547 Y C 2.224 177.817 175.900 -0.510 0.000 1.143 547 Y CA 1.883 59.353 58.100 -1.050 0.000 1.115 547 Y CB -1.003 36.332 38.460 -1.876 0.000 0.975 547 Y HN 0.041 nan 8.280 nan 0.000 0.487 548 Y N -1.743 118.346 120.300 -0.353 0.000 2.293 548 Y HA -0.217 4.332 4.550 -0.002 0.000 0.291 548 Y C 2.162 177.908 175.900 -0.258 0.000 1.137 548 Y CA 1.327 59.245 58.100 -0.304 0.000 1.202 548 Y CB -1.121 37.174 38.460 -0.275 0.000 0.990 548 Y HN 0.246 nan 8.280 nan 0.000 0.537 549 Y N -1.029 119.223 120.300 -0.080 0.000 2.476 549 Y HA 0.089 4.638 4.550 -0.002 0.000 0.283 549 Y C 1.774 177.563 175.900 -0.185 0.000 1.109 549 Y CA 0.694 58.753 58.100 -0.068 0.000 1.246 549 Y CB 0.246 38.723 38.460 0.028 0.000 1.068 549 Y HN -0.082 nan 8.280 nan 0.000 0.552 550 R N -0.974 119.440 120.500 -0.143 0.000 2.521 550 R HA 0.455 4.794 4.340 -0.002 0.000 0.289 550 R C 0.403 176.455 176.300 -0.413 0.000 0.936 550 R CA 0.528 56.401 56.100 -0.378 0.000 1.089 550 R CB 1.297 31.407 30.300 -0.317 0.000 1.348 550 R HN 0.246 nan 8.270 nan 0.000 0.536 551 G N 0.930 109.503 108.800 -0.377 0.000 2.384 551 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.668 551 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.668 551 G C -0.811 173.881 174.900 -0.348 0.000 1.280 551 G CA -0.689 44.236 45.100 -0.293 0.000 0.992 551 G HN 0.150 nan 8.290 nan 0.000 0.512 552 C N 2.112 121.250 119.300 -0.271 0.000 2.634 552 C HA 0.547 5.006 4.460 -0.002 0.000 0.418 552 C C 0.034 174.786 174.990 -0.396 0.000 1.373 552 C CA 0.096 58.856 59.018 -0.429 0.000 1.756 552 C CB 0.357 27.726 27.740 -0.619 0.000 2.589 552 C HN 0.664 nan 8.230 nan 0.000 0.602 553 P HA 0.141 nan 4.420 nan 0.000 0.268 553 P C -0.214 177.061 177.300 -0.042 0.000 1.248 553 P CA 0.570 63.471 63.100 -0.331 0.000 0.851 553 P CB 0.417 31.799 31.700 -0.531 0.000 1.238 554 S N -0.934 114.839 115.700 0.122 0.000 2.616 554 S HA 0.276 4.744 4.470 -0.002 0.000 0.276 554 S C -0.950 173.879 174.600 0.383 0.000 1.159 554 S CA -0.558 57.856 58.200 0.357 0.000 1.000 554 S CB -0.253 63.259 63.200 0.520 0.000 1.117 554 S HN -0.056 nan 8.310 nan 0.000 0.464 555 W N 3.258 124.684 121.300 0.209 0.000 3.077 555 W HA 0.072 4.731 4.660 -0.002 0.000 0.245 555 W C 2.121 178.657 176.519 0.028 0.000 1.316 555 W CA 0.707 58.115 57.345 0.105 0.000 1.537 555 W CB 0.443 29.926 29.460 0.039 0.000 1.131 555 W HN 0.846 nan 8.180 nan 0.000 0.695 556 S N -2.234 113.658 115.700 0.320 0.000 2.591 556 S HA -0.029 4.439 4.470 -0.002 0.000 0.235 556 S C 0.535 175.280 174.600 0.241 0.000 1.074 556 S CA -0.596 57.737 58.200 0.222 0.000 0.925 556 S CB -0.922 62.429 63.200 0.252 0.000 0.818 556 S HN 0.202 nan 8.310 nan 0.000 0.535 557 W N 3.692 125.048 121.300 0.094 0.000 2.480 557 W HA 0.261 4.920 4.660 -0.002 0.000 0.337 557 W C -0.358 176.106 176.519 -0.091 0.000 1.201 557 W CA 0.439 57.785 57.345 0.002 0.000 1.309 557 W CB -0.017 29.425 29.460 -0.030 0.000 1.168 557 W HN 0.461 nan 8.180 nan 0.000 0.566 558 Y N 3.581 123.149 120.300 -1.220 0.000 2.655 558 Y HA 0.459 5.008 4.550 -0.002 0.000 0.336 558 Y C -1.786 173.049 175.900 -1.775 0.000 1.154 558 Y CA -2.227 55.122 58.100 -1.252 0.000 1.055 558 Y CB 0.540 38.668 38.460 -0.554 0.000 1.295 558 Y HN 0.402 nan 8.280 nan 0.000 0.465 559 Y N 2.797 122.393 120.300 -1.173 0.000 2.316 559 Y HA 0.462 5.011 4.550 -0.002 0.000 0.331 559 Y C 0.877 176.301 175.900 -0.793 0.000 1.083 559 Y CA -1.012 56.621 58.100 -0.779 0.000 1.206 559 Y CB 1.377 39.751 38.460 -0.143 0.000 1.195 559 Y HN 0.761 nan 8.280 nan 0.000 0.497 560 R N 3.977 123.603 120.500 -1.456 0.000 2.297 560 R HA 0.059 4.398 4.340 -0.002 0.000 0.197 560 R C -0.979 174.297 176.300 -1.707 0.000 0.943 560 R CA 0.376 55.406 56.100 -1.784 0.000 1.038 560 R CB 0.144 29.419 30.300 -1.709 0.000 0.957 560 R HN 0.499 nan 8.270 nan 0.000 0.484 561 Y N -2.108 117.712 120.300 -0.799 0.000 2.598 561 Y HA 0.271 4.820 4.550 -0.002 0.000 0.340 561 Y C 0.878 176.952 175.900 0.291 0.000 1.038 561 Y CA -1.140 56.856 58.100 -0.172 0.000 1.100 561 Y CB 0.896 39.166 38.460 -0.318 0.000 1.281 561 Y HN -0.159 nan 8.280 nan 0.000 0.488 562 H N -1.291 118.106 119.070 0.545 0.000 2.592 562 H HA 0.256 4.811 4.556 -0.002 0.000 0.265 562 H C -1.120 174.215 175.328 0.013 0.000 0.955 562 H CA 0.352 56.549 56.048 0.248 0.000 1.175 562 H CB 0.325 30.118 29.762 0.051 0.000 1.433 562 H HN 0.487 nan 8.280 nan 0.000 0.537 563 Y N -0.681 119.860 120.300 0.401 0.000 2.570 563 Y HA 0.596 5.145 4.550 -0.002 0.000 0.345 563 Y C 0.111 176.202 175.900 0.317 0.000 1.014 563 Y CA -1.592 56.662 58.100 0.255 0.000 1.063 563 Y CB 1.370 39.856 38.460 0.043 0.000 1.272 563 Y HN -0.034 nan 8.280 nan 0.000 0.477 564 A N 2.685 125.688 122.820 0.306 0.000 2.332 564 A HA 0.555 4.874 4.320 -0.002 0.000 0.258 564 A C -2.329 175.220 177.584 -0.059 0.000 1.087 564 A CA -1.380 50.658 52.037 0.001 0.000 0.802 564 A CB -0.287 18.550 19.000 -0.272 0.000 1.042 564 A HN 0.491 nan 8.150 nan 0.000 0.489 565 P HA 0.062 nan 4.420 nan 0.000 0.282 565 P C -0.286 176.914 177.300 -0.166 0.000 1.273 565 P CA 0.064 63.080 63.100 -0.140 0.000 0.809 565 P CB 0.293 31.930 31.700 -0.104 0.000 1.246 566 R N -0.222 120.224 120.500 -0.091 0.000 2.668 566 R HA 0.348 4.687 4.340 -0.002 0.000 0.279 566 R C 1.691 177.953 176.300 -0.064 0.000 0.976 566 R CA -0.847 55.160 56.100 -0.155 0.000 0.978 566 R CB 0.290 30.471 30.300 -0.198 0.000 1.133 566 R HN 0.359 nan 8.270 nan 0.000 0.484 567 I N 0.771 121.324 120.570 -0.029 0.000 2.113 567 I HA -0.409 3.760 4.170 -0.002 0.000 0.242 567 I C 2.000 178.131 176.117 0.025 0.000 1.057 567 I CA 1.928 63.240 61.300 0.019 0.000 1.314 567 I CB -0.336 37.710 38.000 0.078 0.000 1.022 567 I HN 0.543 nan 8.210 nan 0.000 0.408 568 S N 0.079 115.796 115.700 0.028 0.000 2.419 568 S HA -0.157 4.312 4.470 -0.002 0.000 0.233 568 S C 1.335 175.957 174.600 0.036 0.000 1.016 568 S CA 1.361 59.580 58.200 0.032 0.000 0.974 568 S CB -0.316 62.877 63.200 -0.012 0.000 0.786 568 S HN 0.476 nan 8.310 nan 0.000 0.492 569 D N 0.775 121.189 120.400 0.023 0.000 2.350 569 D HA 0.133 4.772 4.640 -0.002 0.000 0.213 569 D C 1.598 177.924 176.300 0.043 0.000 1.031 569 D CA 0.137 54.154 54.000 0.029 0.000 0.861 569 D CB -0.078 40.752 40.800 0.052 0.000 0.926 569 D HN 0.205 nan 8.370 nan 0.000 0.520 570 V N 1.737 121.677 119.914 0.043 0.000 2.688 570 V HA -0.217 3.902 4.120 -0.002 0.000 0.256 570 V C 2.400 178.513 176.094 0.032 0.000 1.084 570 V CA 1.000 63.341 62.300 0.069 0.000 1.103 570 V CB -0.534 31.350 31.823 0.102 0.000 0.688 570 V HN 0.298 nan 8.190 nan 0.000 0.480 571 I N -0.387 120.179 120.570 -0.007 0.000 2.361 571 I HA -0.158 4.011 4.170 -0.002 0.000 0.251 571 I C 1.930 178.050 176.117 0.005 0.000 1.133 571 I CA 1.079 62.361 61.300 -0.032 0.000 1.413 571 I CB -0.701 37.287 38.000 -0.020 0.000 1.073 571 I HN 0.253 nan 8.210 nan 0.000 0.424 572 K N 1.741 122.155 120.400 0.023 0.000 2.643 572 K HA 0.027 4.346 4.320 -0.002 0.000 0.193 572 K C 1.402 178.033 176.600 0.053 0.000 1.027 572 K CA 0.748 57.051 56.287 0.026 0.000 1.033 572 K CB -0.401 32.106 32.500 0.011 0.000 0.827 572 K HN 0.514 nan 8.250 nan 0.000 0.500 573 G N 0.468 109.313 108.800 0.075 0.000 3.146 573 G HA2 0.041 4.000 3.960 -0.002 0.000 0.238 573 G HA3 0.041 4.000 3.960 -0.002 0.000 0.238 573 G C 1.313 176.282 174.900 0.115 0.000 1.022 573 G CA -0.243 44.929 45.100 0.121 0.000 0.880 573 G HN 0.277 nan 8.290 nan 0.000 0.533 574 I N -1.876 118.738 120.570 0.073 0.000 2.500 574 I HA 0.204 4.373 4.170 -0.002 0.000 0.252 574 I C -0.089 176.059 176.117 0.052 0.000 1.142 574 I CA 0.269 61.608 61.300 0.065 0.000 1.451 574 I CB -0.047 37.958 38.000 0.009 0.000 1.093 574 I HN -0.268 nan 8.210 nan 0.000 0.430 575 D N 3.918 124.341 120.400 0.039 0.000 2.482 575 D HA 0.120 4.759 4.640 -0.002 0.000 0.244 575 D C -0.010 176.311 176.300 0.034 0.000 1.242 575 D CA 0.577 54.596 54.000 0.030 0.000 1.097 575 D CB -0.073 40.740 40.800 0.022 0.000 1.109 575 D HN 0.691 nan 8.370 nan 0.000 0.510 576 Q N 0.560 120.380 119.800 0.033 0.000 2.647 576 Q HA 0.164 4.503 4.340 -0.002 0.000 0.283 576 Q C -1.824 174.182 176.000 0.010 0.000 0.943 576 Q CA -1.003 54.815 55.803 0.025 0.000 0.813 576 Q CB 1.181 29.942 28.738 0.039 0.000 1.477 576 Q HN 0.051 nan 8.270 nan 0.000 0.393 577 N N 3.239 121.935 118.700 -0.008 0.000 2.546 577 N HA 0.290 5.029 4.740 -0.002 0.000 0.238 577 N C -0.790 174.677 175.510 -0.072 0.000 0.984 577 N CA -0.329 52.706 53.050 -0.025 0.000 0.935 577 N CB 0.630 39.106 38.487 -0.018 0.000 1.122 577 N HN 0.665 nan 8.380 nan 0.000 0.510 578 I N 3.366 123.886 120.570 -0.083 0.000 2.260 578 I HA 0.156 4.325 4.170 -0.002 0.000 0.297 578 I C 0.330 176.284 176.117 -0.273 0.000 1.143 578 I CA -0.386 60.796 61.300 -0.197 0.000 1.271 578 I CB -0.170 37.763 38.000 -0.112 0.000 1.461 578 I HN 0.450 nan 8.210 nan 0.000 0.530 579 E N 5.610 125.568 120.200 -0.404 0.000 2.256 579 E HA 0.708 5.056 4.350 -0.002 0.000 0.267 579 E C -1.595 174.640 176.600 -0.608 0.000 0.892 579 E CA -0.764 55.412 56.400 -0.373 0.000 0.775 579 E CB 2.186 31.769 29.700 -0.195 0.000 1.207 579 E HN 0.276 nan 8.360 nan 0.000 0.420 580 F N 0.479 120.356 119.950 -0.121 0.000 2.577 580 F HA 0.396 4.921 4.527 -0.002 0.000 0.318 580 F C 0.191 175.857 175.800 -0.224 0.000 1.065 580 F CA -0.905 57.066 58.000 -0.049 0.000 0.929 580 F CB 1.965 41.013 39.000 0.079 0.000 1.237 580 F HN 0.398 nan 8.300 nan 0.000 0.468 581 H N 1.275 120.548 119.070 0.339 0.000 2.469 581 H HA 0.261 4.816 4.556 -0.002 0.000 0.342 581 H C 0.374 175.859 175.328 0.262 0.000 1.115 581 H CA -0.701 55.491 56.048 0.240 0.000 1.204 581 H CB 2.664 32.534 29.762 0.180 0.000 1.492 581 H HN 0.653 nan 8.280 nan 0.000 0.499 582 K N 2.357 122.945 120.400 0.312 0.000 1.975 582 K HA 0.043 4.361 4.320 -0.002 0.000 0.217 582 K C 0.865 177.684 176.600 0.365 0.000 1.037 582 K CA 1.544 58.001 56.287 0.283 0.000 0.971 582 K CB -0.224 32.406 32.500 0.218 0.000 0.749 582 K HN 0.896 nan 8.250 nan 0.000 0.444 583 G N -0.452 108.537 108.800 0.316 0.000 2.475 583 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.223 583 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.223 583 G C -1.168 173.866 174.900 0.222 0.000 1.201 583 G CA 0.123 45.383 45.100 0.266 0.000 0.962 583 G HN 0.530 nan 8.290 nan 0.000 0.586 584 Q N 0.400 120.238 119.800 0.063 0.000 2.435 584 Q HA 0.543 4.882 4.340 -0.002 0.000 0.282 584 Q C -2.632 173.019 176.000 -0.582 0.000 1.020 584 Q CA -1.468 54.178 55.803 -0.262 0.000 0.820 584 Q CB 3.356 32.051 28.738 -0.072 0.000 1.436 584 Q HN 0.615 nan 8.270 nan 0.000 0.395 585 P HA 0.137 nan 4.420 nan 0.000 0.274 585 P C -0.778 176.399 177.300 -0.204 0.000 1.246 585 P CA -0.257 62.198 63.100 -1.076 0.000 0.795 585 P CB 0.495 31.294 31.700 -1.502 0.000 1.006 586 F N 0.331 120.228 119.950 -0.089 0.000 2.490 586 F HA 0.147 4.673 4.527 -0.002 0.000 0.336 586 F C 1.678 177.577 175.800 0.166 0.000 1.178 586 F CA -0.054 57.968 58.000 0.038 0.000 1.301 586 F CB -0.304 38.725 39.000 0.048 0.000 1.175 586 F HN 0.170 nan 8.300 nan 0.000 0.593 587 K N 3.051 123.619 120.400 0.280 0.000 2.219 587 K HA 0.096 4.415 4.320 -0.002 0.000 0.258 587 K C -1.614 175.054 176.600 0.113 0.000 1.008 587 K CA -1.141 55.173 56.287 0.045 0.000 0.928 587 K CB 0.155 32.549 32.500 -0.176 0.000 0.983 587 K HN 0.199 nan 8.250 nan 0.000 0.484 588 P HA -0.225 nan 4.420 nan 0.000 0.214 588 P C 0.971 178.353 177.300 0.137 0.000 1.169 588 P CA 1.581 64.727 63.100 0.077 0.000 0.908 588 P CB 0.024 31.687 31.700 -0.062 0.000 0.791 589 F N -0.162 119.765 119.950 -0.038 0.000 2.095 589 F HA -0.191 4.335 4.527 -0.002 0.000 0.298 589 F C 2.542 178.200 175.800 -0.237 0.000 1.104 589 F CA 1.015 58.927 58.000 -0.147 0.000 1.232 589 F CB -1.888 37.031 39.000 -0.135 0.000 0.987 589 F HN 0.064 nan 8.300 nan 0.000 0.475 590 Q N -0.313 119.477 119.800 -0.017 0.000 2.045 590 Q HA -0.283 4.056 4.340 -0.002 0.000 0.206 590 Q C 2.306 178.094 176.000 -0.354 0.000 0.991 590 Q CA 1.877 57.503 55.803 -0.294 0.000 0.851 590 Q CB -0.562 27.902 28.738 -0.455 0.000 0.911 590 Q HN 0.481 nan 8.270 nan 0.000 0.418 591 Q N 0.862 120.618 119.800 -0.075 0.000 2.061 591 Q HA -0.176 4.163 4.340 -0.002 0.000 0.204 591 Q C 2.211 178.227 176.000 0.026 0.000 0.984 591 Q CA 1.152 57.037 55.803 0.136 0.000 0.846 591 Q CB -0.204 28.709 28.738 0.290 0.000 0.902 591 Q HN 0.437 nan 8.270 nan 0.000 0.421 592 L N 0.009 121.243 121.223 0.018 0.000 2.051 592 L HA -0.273 4.066 4.340 -0.002 0.000 0.214 592 L C 2.730 179.517 176.870 -0.138 0.000 1.076 592 L CA 1.201 56.022 54.840 -0.031 0.000 0.758 592 L CB -0.382 41.672 42.059 -0.009 0.000 0.890 592 L HN 0.336 nan 8.230 nan 0.000 0.433 593 M N -1.130 118.342 119.600 -0.214 0.000 2.123 593 M HA -0.087 4.392 4.480 -0.002 0.000 0.263 593 M C 2.523 178.630 176.300 -0.321 0.000 1.069 593 M CA 1.825 56.971 55.300 -0.257 0.000 1.133 593 M CB -1.009 31.424 32.600 -0.278 0.000 1.356 593 M HN 0.276 nan 8.290 nan 0.000 0.415 594 A N -0.403 122.254 122.820 -0.272 0.000 2.076 594 A HA 0.050 4.369 4.320 -0.002 0.000 0.220 594 A C 1.104 178.557 177.584 -0.219 0.000 1.160 594 A CA 0.840 52.739 52.037 -0.230 0.000 0.653 594 A CB -0.267 18.704 19.000 -0.049 0.000 0.801 594 A HN 0.282 nan 8.150 nan 0.000 0.455 595 V N -0.289 119.516 119.914 -0.182 0.000 2.656 595 V HA 0.664 4.783 4.120 -0.002 0.000 0.307 595 V C -0.638 175.338 176.094 -0.197 0.000 1.051 595 V CA -0.494 61.714 62.300 -0.154 0.000 0.893 595 V CB 1.464 33.267 31.823 -0.033 0.000 0.999 595 V HN 0.442 nan 8.190 nan 0.000 0.426 596 L N 5.680 126.772 121.223 -0.218 0.000 5.688 596 L HA 0.076 4.415 4.340 -0.002 0.000 0.233 596 L C -2.860 173.892 176.870 -0.196 0.000 1.170 596 L CA -0.787 53.960 54.840 -0.155 0.000 0.679 596 L CB 1.469 43.456 42.059 -0.120 0.000 1.398 596 L HN 0.505 nan 8.230 nan 0.000 0.148 597 P HA 0.227 nan 4.420 nan 0.000 0.284 597 P C -0.320 177.010 177.300 0.050 0.000 1.253 597 P CA -0.228 62.883 63.100 0.017 0.000 0.800 597 P CB 0.798 32.660 31.700 0.269 0.000 0.961 598 E N 1.127 121.382 120.200 0.092 0.000 2.438 598 E HA -0.013 4.336 4.350 -0.002 0.000 0.192 598 E C 1.374 178.016 176.600 0.069 0.000 1.110 598 E CA 0.198 56.649 56.400 0.085 0.000 0.893 598 E CB -0.248 29.510 29.700 0.096 0.000 0.990 598 E HN 0.376 nan 8.360 nan 0.000 0.490 599 R N 0.487 121.040 120.500 0.089 0.000 2.210 599 R HA 0.017 4.356 4.340 -0.002 0.000 0.203 599 R C 0.895 177.209 176.300 0.023 0.000 1.010 599 R CA 0.824 56.961 56.100 0.061 0.000 1.008 599 R CB 0.393 30.739 30.300 0.077 0.000 0.923 599 R HN 0.033 nan 8.270 nan 0.000 0.469 600 S N 0.521 116.231 115.700 0.017 0.000 2.143 600 S HA 0.171 4.640 4.470 -0.002 0.000 0.188 600 S C 0.555 175.143 174.600 -0.019 0.000 1.431 600 S CA -0.837 57.354 58.200 -0.015 0.000 1.253 600 S CB 0.729 63.912 63.200 -0.028 0.000 1.137 600 S HN 0.221 nan 8.310 nan 0.000 0.457 601 K N 1.424 121.816 120.400 -0.013 0.000 2.217 601 K HA -0.067 4.252 4.320 -0.002 0.000 0.202 601 K C 0.802 177.385 176.600 -0.029 0.000 1.051 601 K CA 0.970 57.247 56.287 -0.017 0.000 0.952 601 K CB -0.600 31.895 32.500 -0.008 0.000 0.736 601 K HN 0.471 nan 8.250 nan 0.000 0.453 602 N N 1.415 120.096 118.700 -0.032 0.000 2.696 602 N HA -0.118 4.621 4.740 -0.002 0.000 0.196 602 N C 1.002 176.490 175.510 -0.036 0.000 1.220 602 N CA 0.825 53.854 53.050 -0.034 0.000 0.940 602 N CB -0.285 38.178 38.487 -0.039 0.000 0.999 602 N HN 0.362 nan 8.380 nan 0.000 0.447 603 L N -0.940 120.259 121.223 -0.040 0.000 2.653 603 L HA 0.300 4.639 4.340 -0.002 0.000 0.230 603 L C 0.498 177.346 176.870 -0.037 0.000 1.055 603 L CA -0.384 54.437 54.840 -0.031 0.000 0.880 603 L CB -0.188 41.851 42.059 -0.033 0.000 1.195 603 L HN -0.014 nan 8.230 nan 0.000 0.492 604 I N -1.611 118.912 120.570 -0.079 0.000 3.437 604 I HA 0.162 4.331 4.170 -0.002 0.000 0.274 604 I C -2.187 173.847 176.117 -0.139 0.000 1.215 604 I CA -2.044 59.156 61.300 -0.167 0.000 1.215 604 I CB -1.221 36.636 38.000 -0.240 0.000 1.441 604 I HN -0.180 nan 8.210 nan 0.000 0.677 605 P HA 0.112 nan 4.420 nan 0.000 0.274 605 P C 0.821 178.144 177.300 0.038 0.000 1.291 605 P CA -0.206 62.856 63.100 -0.063 0.000 0.815 605 P CB 0.510 32.172 31.700 -0.062 0.000 0.897 606 V N 3.089 123.001 119.914 -0.002 0.000 2.636 606 V HA -0.255 3.864 4.120 -0.002 0.000 0.258 606 V C 2.152 178.241 176.094 -0.008 0.000 1.092 606 V CA 1.566 63.864 62.300 -0.003 0.000 1.110 606 V CB -1.403 30.413 31.823 -0.012 0.000 0.685 606 V HN 0.335 nan 8.190 nan 0.000 0.481 607 V N -1.751 118.151 119.914 -0.021 0.000 2.876 607 V HA -0.245 3.874 4.120 -0.002 0.000 0.265 607 V C 1.233 177.210 176.094 -0.194 0.000 1.135 607 V CA 1.482 63.730 62.300 -0.085 0.000 1.152 607 V CB -1.483 30.269 31.823 -0.117 0.000 0.727 607 V HN 0.563 nan 8.190 nan 0.000 0.511 623 Y N 4.368 124.760 120.300 0.154 0.000 2.595 623 Y HA 0.458 5.007 4.550 -0.001 0.000 0.336 623 Y C -2.144 173.690 175.900 -0.110 0.000 0.996 623 Y CA -3.848 54.214 58.100 -0.063 0.000 1.260 623 Y CB -1.229 37.116 38.460 -0.193 0.000 1.108 623 Y HN -0.075 nan 8.280 nan 0.000 0.509 624 P HA -0.008 nan 4.420 nan 0.000 0.271 624 P C 0.273 177.560 177.300 -0.022 0.000 1.228 624 P CA 0.314 63.388 63.100 -0.045 0.000 0.797 624 P CB 0.909 32.546 31.700 -0.106 0.000 0.914 625 N N -0.752 118.026 118.700 0.130 0.000 2.194 625 N HA 0.172 4.911 4.740 -0.002 0.000 0.231 625 N C -0.727 174.979 175.510 0.326 0.000 1.247 625 N CA 0.005 53.224 53.050 0.280 0.000 0.884 625 N CB 0.500 39.083 38.487 0.159 0.000 1.146 625 N HN 0.353 nan 8.380 nan 0.000 0.516 626 E N -0.943 119.442 120.200 0.308 0.000 2.388 626 E HA 0.615 4.964 4.350 -0.002 0.000 0.280 626 E C -1.583 175.152 176.600 0.225 0.000 1.019 626 E CA -0.606 55.928 56.400 0.223 0.000 0.806 626 E CB 1.908 31.673 29.700 0.107 0.000 1.246 626 E HN -0.198 nan 8.360 nan 0.000 0.443 642 V N 1.274 121.174 119.914 -0.023 0.000 2.572 642 V HA 0.173 4.292 4.120 -0.002 0.000 0.291 642 V C 0.975 177.046 176.094 -0.039 0.000 1.039 642 V CA 0.112 62.409 62.300 -0.004 0.000 1.055 642 V CB 0.757 32.599 31.823 0.032 0.000 0.969 642 V HN 0.791 nan 8.190 nan 0.000 0.482 643 K N 3.525 123.858 120.400 -0.112 0.000 2.708 643 K HA 0.251 4.570 4.320 -0.002 0.000 0.219 643 K C 0.172 176.599 176.600 -0.287 0.000 1.068 643 K CA -0.443 55.630 56.287 -0.357 0.000 1.212 643 K CB 0.021 32.378 32.500 -0.238 0.000 0.978 643 K HN 0.626 nan 8.250 nan 0.000 0.475 644 I N 2.551 123.062 120.570 -0.100 0.000 2.821 644 I HA -0.158 4.010 4.170 -0.002 0.000 0.294 644 I C 0.263 176.326 176.117 -0.091 0.000 1.210 644 I CA 0.582 61.831 61.300 -0.084 0.000 1.430 644 I CB 0.415 38.360 38.000 -0.091 0.000 1.356 644 I HN 0.222 nan 8.210 nan 0.000 0.563 645 S N 6.609 122.280 115.700 -0.049 0.000 2.561 645 S HA 0.037 4.506 4.470 -0.002 0.000 0.294 645 S C 0.329 174.963 174.600 0.056 0.000 1.294 645 S CA -0.502 57.723 58.200 0.042 0.000 1.055 645 S CB 0.061 63.304 63.200 0.071 0.000 0.819 645 S HN 0.425 nan 8.310 nan 0.000 0.503 646 F N 1.097 121.137 119.950 0.149 0.000 2.228 646 F HA 0.423 4.949 4.527 -0.002 0.000 0.280 646 F C 0.898 176.762 175.800 0.107 0.000 1.235 646 F CA -0.276 57.776 58.000 0.087 0.000 1.235 646 F CB 0.235 39.269 39.000 0.057 0.000 1.506 646 F HN 0.373 nan 8.300 nan 0.000 0.502 647 V N -0.210 119.893 119.914 0.315 0.000 2.841 647 V HA 0.216 4.335 4.120 -0.002 0.000 0.310 647 V C -1.474 174.686 176.094 0.111 0.000 1.090 647 V CA -0.939 61.532 62.300 0.286 0.000 0.930 647 V CB 2.030 33.983 31.823 0.217 0.000 1.014 647 V HN 0.577 nan 8.190 nan 0.000 0.425 648 D N 1.807 122.304 120.400 0.162 0.000 2.233 648 D HA 0.332 4.971 4.640 -0.002 0.000 0.240 648 D C 0.781 177.157 176.300 0.127 0.000 1.074 648 D CA -0.197 53.853 54.000 0.083 0.000 0.838 648 D CB 1.729 42.557 40.800 0.047 0.000 1.124 648 D HN 0.626 nan 8.370 nan 0.000 0.475 649 Q N 3.745 123.609 119.800 0.106 0.000 1.927 649 Q HA -0.289 4.050 4.340 -0.002 0.000 0.210 649 Q C 1.606 177.693 176.000 0.144 0.000 1.001 649 Q CA 1.604 57.514 55.803 0.180 0.000 0.862 649 Q CB 0.045 28.895 28.738 0.187 0.000 0.934 649 Q HN 0.493 nan 8.270 nan 0.000 0.420 650 K N 0.092 120.562 120.400 0.116 0.000 2.059 650 K HA -0.275 4.044 4.320 -0.002 0.000 0.212 650 K C 2.305 178.957 176.600 0.086 0.000 1.050 650 K CA 2.056 58.398 56.287 0.093 0.000 0.927 650 K CB -0.269 32.275 32.500 0.073 0.000 0.714 650 K HN 0.204 nan 8.250 nan 0.000 0.447 651 R N 0.472 121.026 120.500 0.091 0.000 2.193 651 R HA -0.130 4.209 4.340 -0.002 0.000 0.229 651 R C 2.028 178.414 176.300 0.142 0.000 1.110 651 R CA 1.288 57.448 56.100 0.099 0.000 0.988 651 R CB -0.133 30.211 30.300 0.073 0.000 0.871 651 R HN 0.299 nan 8.270 nan 0.000 0.458 652 L N -0.701 120.607 121.223 0.143 0.000 2.316 652 L HA 0.135 4.474 4.340 -0.002 0.000 0.207 652 L C 1.724 178.611 176.870 0.029 0.000 1.070 652 L CA 0.749 55.649 54.840 0.100 0.000 0.820 652 L CB 0.003 42.096 42.059 0.057 0.000 0.992 652 L HN -0.001 nan 8.230 nan 0.000 0.466 653 V N 0.675 120.603 119.914 0.023 0.000 2.215 653 V HA -0.376 3.742 4.120 -0.002 0.000 0.249 653 V C 2.479 178.605 176.094 0.054 0.000 1.054 653 V CA 2.480 64.793 62.300 0.022 0.000 1.012 653 V CB -1.032 30.828 31.823 0.063 0.000 0.639 653 V HN 0.516 nan 8.190 nan 0.000 0.448 654 E N 0.662 120.902 120.200 0.067 0.000 2.048 654 E HA -0.297 4.051 4.350 -0.002 0.000 0.202 654 E C 2.246 178.904 176.600 0.096 0.000 1.021 654 E CA 1.546 57.989 56.400 0.072 0.000 0.825 654 E CB -0.551 29.187 29.700 0.063 0.000 0.756 654 E HN 0.595 nan 8.360 nan 0.000 0.454 655 A N 0.404 123.288 122.820 0.107 0.000 2.148 655 A HA -0.218 4.101 4.320 -0.002 0.000 0.222 655 A C 2.034 179.741 177.584 0.204 0.000 1.161 655 A CA 1.659 53.779 52.037 0.138 0.000 0.662 655 A CB -0.407 18.665 19.000 0.120 0.000 0.799 655 A HN 0.217 nan 8.150 nan 0.000 0.466 656 M N -2.258 117.456 119.600 0.190 0.000 2.615 656 M HA 0.147 4.625 4.480 -0.002 0.000 0.262 656 M C 2.431 178.901 176.300 0.283 0.000 1.198 656 M CA 0.681 56.155 55.300 0.289 0.000 1.165 656 M CB -0.011 32.720 32.600 0.219 0.000 1.310 656 M HN 0.402 nan 8.290 nan 0.000 0.494 657 A N 2.062 124.982 122.820 0.168 0.000 1.896 657 A HA -0.167 4.152 4.320 -0.002 0.000 0.220 657 A C -0.453 177.172 177.584 0.068 0.000 1.206 657 A CA 2.052 54.154 52.037 0.108 0.000 0.647 657 A CB -2.188 16.854 19.000 0.069 0.000 0.828 657 A HN 0.346 nan 8.150 nan 0.000 0.455 658 P HA -0.080 nan 4.420 nan 0.000 0.234 658 P C 0.495 177.653 177.300 -0.236 0.000 1.167 658 P CA 0.898 63.931 63.100 -0.112 0.000 0.763 658 P CB -0.198 31.399 31.700 -0.172 0.000 0.835 659 Y N 0.295 120.553 120.300 -0.069 0.000 2.503 659 Y HA 0.009 4.558 4.550 -0.002 0.000 0.278 659 Y C 2.070 177.894 175.900 -0.126 0.000 1.111 659 Y CA 0.639 58.630 58.100 -0.182 0.000 1.270 659 Y CB -0.512 37.730 38.460 -0.362 0.000 1.063 659 Y HN -0.105 nan 8.280 nan 0.000 0.548 660 D N 0.015 120.493 120.400 0.130 0.000 2.218 660 D HA -0.144 4.495 4.640 -0.002 0.000 0.204 660 D C 2.143 178.489 176.300 0.077 0.000 0.976 660 D CA 1.199 55.286 54.000 0.144 0.000 0.853 660 D CB -0.174 40.706 40.800 0.134 0.000 0.939 660 D HN 0.348 nan 8.370 nan 0.000 0.481 661 A N 0.425 123.257 122.820 0.019 0.000 2.014 661 A HA -0.085 4.234 4.320 -0.002 0.000 0.218 661 A C 1.658 179.235 177.584 -0.011 0.000 1.163 661 A CA 0.676 52.711 52.037 -0.003 0.000 0.652 661 A CB -0.172 18.809 19.000 -0.031 0.000 0.808 661 A HN 0.031 nan 8.150 nan 0.000 0.449 662 K N 0.489 120.870 120.400 -0.032 0.000 3.165 662 K HA 0.303 4.622 4.320 -0.002 0.000 0.270 662 K C -1.032 175.564 176.600 -0.008 0.000 1.111 662 K CA 0.016 56.280 56.287 -0.038 0.000 1.216 662 K CB -0.405 32.050 32.500 -0.075 0.000 1.229 662 K HN 0.408 nan 8.250 nan 0.000 0.435 663 L N 1.109 122.352 121.223 0.033 0.000 2.341 663 L HA 0.246 4.585 4.340 -0.002 0.000 0.278 663 L C 0.432 177.341 176.870 0.065 0.000 1.005 663 L CA -0.850 54.036 54.840 0.077 0.000 0.818 663 L CB 1.783 43.938 42.059 0.160 0.000 1.259 663 L HN 0.147 nan 8.230 nan 0.000 0.418 664 S N 1.778 117.516 115.700 0.064 0.000 2.576 664 S HA 0.256 4.725 4.470 -0.002 0.000 0.276 664 S C -2.031 172.611 174.600 0.071 0.000 1.339 664 S CA -1.068 57.164 58.200 0.054 0.000 1.039 664 S CB 0.958 64.185 63.200 0.045 0.000 0.902 664 S HN 0.425 nan 8.310 nan 0.000 0.516 665 P HA 0.019 nan 4.420 nan 0.000 0.236 665 P C -0.067 177.266 177.300 0.055 0.000 1.172 665 P CA 0.762 63.890 63.100 0.047 0.000 0.759 665 P CB -0.176 31.540 31.700 0.027 0.000 0.843 666 D N -0.245 120.196 120.400 0.068 0.000 2.178 666 D HA -0.139 4.500 4.640 -0.002 0.000 0.202 666 D C 1.544 177.920 176.300 0.128 0.000 0.974 666 D CA 1.121 55.170 54.000 0.081 0.000 0.841 666 D CB -0.287 40.560 40.800 0.077 0.000 0.953 666 D HN 0.361 nan 8.370 nan 0.000 0.478 667 E N -0.179 120.132 120.200 0.184 0.000 2.389 667 E HA 0.097 4.446 4.350 -0.002 0.000 0.199 667 E C 1.583 178.357 176.600 0.291 0.000 0.978 667 E CA 0.069 56.693 56.400 0.374 0.000 0.912 667 E CB 0.330 30.280 29.700 0.417 0.000 0.907 667 E HN 0.025 nan 8.360 nan 0.000 0.494 668 K N 1.279 121.771 120.400 0.154 0.000 2.155 668 K HA -0.014 4.305 4.320 -0.002 0.000 0.203 668 K C 1.909 178.483 176.600 -0.044 0.000 1.052 668 K CA 0.659 56.974 56.287 0.047 0.000 0.948 668 K CB 0.070 32.597 32.500 0.046 0.000 0.728 668 K HN 0.006 nan 8.250 nan 0.000 0.448 669 K N 0.857 121.250 120.400 -0.012 0.000 2.025 669 K HA -0.049 4.270 4.320 -0.002 0.000 0.207 669 K C 1.664 178.228 176.600 -0.059 0.000 1.049 669 K CA 0.898 57.167 56.287 -0.030 0.000 0.933 669 K CB 0.030 32.534 32.500 0.008 0.000 0.714 669 K HN -0.026 nan 8.250 nan 0.000 0.438 670 R N 0.778 121.263 120.500 -0.025 0.000 2.526 670 R HA -0.038 4.300 4.340 -0.002 0.000 0.223 670 R C 0.727 176.799 176.300 -0.380 0.000 1.250 670 R CA 0.259 56.335 56.100 -0.041 0.000 1.227 670 R CB -0.085 30.296 30.300 0.135 0.000 1.109 670 R HN 0.151 nan 8.270 nan 0.000 0.499 671 N N -1.636 116.768 118.700 -0.493 0.000 2.149 671 N HA 0.054 4.793 4.740 -0.002 0.000 0.229 671 N C -0.267 174.937 175.510 -0.509 0.000 1.284 671 N CA 0.030 52.607 53.050 -0.789 0.000 0.864 671 N CB 0.689 38.555 38.487 -1.036 0.000 1.169 671 N HN -0.119 nan 8.380 nan 0.000 0.478 672 S N 0.147 115.633 115.700 -0.358 0.000 2.612 672 S HA 0.240 4.709 4.470 -0.002 0.000 0.253 672 S C -0.482 173.932 174.600 -0.311 0.000 1.346 672 S CA 0.083 58.063 58.200 -0.367 0.000 0.976 672 S CB 0.126 63.215 63.200 -0.185 0.000 0.949 672 S HN 0.129 nan 8.310 nan 0.000 0.584 673 F N 0.398 120.298 119.950 -0.082 0.000 2.422 673 F HA 0.606 5.132 4.527 -0.002 0.000 0.333 673 F C 0.980 176.726 175.800 -0.089 0.000 1.095 673 F CA -1.137 56.818 58.000 -0.076 0.000 1.038 673 F CB 0.609 39.566 39.000 -0.072 0.000 1.156 673 F HN 0.586 nan 8.300 nan 0.000 0.483 674 G N -0.031 108.840 108.800 0.118 0.000 2.613 674 G HA2 0.588 4.546 3.960 -0.002 0.000 0.303 674 G HA3 0.588 4.546 3.960 -0.002 0.000 0.303 674 G C -0.653 174.190 174.900 -0.095 0.000 1.312 674 G CA -0.571 44.521 45.100 -0.014 0.000 1.036 674 G HN 0.707 nan 8.290 nan 0.000 0.513 675 T N -1.830 112.605 114.554 -0.197 0.000 2.952 675 T HA 0.471 4.819 4.350 -0.002 0.000 0.286 675 T C -0.642 173.986 174.700 -0.119 0.000 1.024 675 T CA -0.736 61.159 62.100 -0.342 0.000 1.029 675 T CB 1.849 70.105 68.868 -1.020 0.000 1.094 675 T HN 0.251 nan 8.240 nan 0.000 0.515 676 D N 1.104 121.509 120.400 0.009 0.000 2.382 676 D HA 0.343 4.981 4.640 -0.002 0.000 0.245 676 D C -0.320 176.094 176.300 0.190 0.000 1.120 676 D CA 0.131 54.196 54.000 0.108 0.000 0.890 676 D CB 0.692 41.603 40.800 0.185 0.000 1.201 676 D HN 0.441 nan 8.370 nan 0.000 0.433 677 L N 2.691 123.978 121.223 0.107 0.000 2.362 677 L HA 0.505 4.844 4.340 -0.002 0.000 0.275 677 L C 0.041 176.841 176.870 -0.118 0.000 0.998 677 L CA -0.848 53.985 54.840 -0.012 0.000 0.820 677 L CB 2.258 44.244 42.059 -0.122 0.000 1.270 677 L HN 0.210 nan 8.230 nan 0.000 0.415 678 I N 1.545 121.998 120.570 -0.195 0.000 2.498 678 I HA 0.445 4.614 4.170 -0.002 0.000 0.301 678 I C -1.297 174.591 176.117 -0.382 0.000 0.984 678 I CA -0.409 60.813 61.300 -0.131 0.000 1.204 678 I CB 1.632 39.630 38.000 -0.004 0.000 1.362 678 I HN 0.369 nan 8.210 nan 0.000 0.471 679 F N 7.355 127.314 119.950 0.014 0.000 2.434 679 F HA 0.464 4.990 4.527 -0.002 0.000 0.355 679 F C -0.259 175.535 175.800 -0.009 0.000 1.115 679 F CA -0.442 57.530 58.000 -0.046 0.000 1.010 679 F CB 1.042 39.964 39.000 -0.130 0.000 1.234 679 F HN 0.139 nan 8.300 nan 0.000 0.439 680 I N 3.101 123.744 120.570 0.122 0.000 2.577 680 I HA 0.243 4.412 4.170 -0.002 0.000 0.300 680 I C -0.455 175.767 176.117 0.175 0.000 0.990 680 I CA -0.663 60.715 61.300 0.130 0.000 1.283 680 I CB 0.845 38.890 38.000 0.075 0.000 1.411 680 I HN 0.368 nan 8.210 nan 0.000 0.515 681 F N 6.360 126.329 119.950 0.031 0.000 2.411 681 F HA 0.401 4.927 4.527 -0.002 0.000 0.355 681 F C -0.071 175.747 175.800 0.030 0.000 1.117 681 F CA -0.336 57.675 58.000 0.019 0.000 1.139 681 F CB 0.265 39.270 39.000 0.008 0.000 1.120 681 F HN 0.440 nan 8.300 nan 0.000 0.493 682 N N 8.822 127.171 118.700 -0.586 0.000 2.461 682 N HA 0.295 5.034 4.740 -0.002 0.000 0.284 682 N C -2.275 172.837 175.510 -0.662 0.000 1.049 682 N CA -1.977 50.747 53.050 -0.544 0.000 0.889 682 N CB 2.555 40.923 38.487 -0.198 0.000 1.365 682 N HN 0.226 nan 8.380 nan 0.000 0.499 683 P HA -0.219 nan 4.420 nan 0.000 0.217 683 P C 0.825 178.032 177.300 -0.156 0.000 1.162 683 P CA 1.709 64.613 63.100 -0.327 0.000 0.901 683 P CB 0.480 32.083 31.700 -0.163 0.000 0.793 684 Q N -0.483 119.250 119.800 -0.111 0.000 2.170 684 Q HA -0.038 4.301 4.340 -0.002 0.000 0.203 684 Q C 0.737 176.720 176.000 -0.027 0.000 0.976 684 Q CA 0.489 56.264 55.803 -0.047 0.000 0.858 684 Q CB -0.948 27.771 28.738 -0.032 0.000 0.907 684 Q HN 0.068 nan 8.270 nan 0.000 0.433 685 V N 2.779 122.667 119.914 -0.045 0.000 2.450 685 V HA -0.091 4.028 4.120 -0.002 0.000 0.264 685 V C 0.288 176.409 176.094 0.045 0.000 0.996 685 V CA 0.783 63.090 62.300 0.012 0.000 1.138 685 V CB -0.102 31.745 31.823 0.040 0.000 1.051 685 V HN 0.224 nan 8.190 nan 0.000 0.470 686 D N 2.832 123.264 120.400 0.055 0.000 2.772 686 D HA 0.112 4.751 4.640 -0.002 0.000 0.272 686 D C 1.131 177.488 176.300 0.095 0.000 1.314 686 D CA 0.164 54.213 54.000 0.081 0.000 0.835 686 D CB 0.515 41.372 40.800 0.095 0.000 1.080 686 D HN 0.685 nan 8.370 nan 0.000 0.482 687 T N -2.751 111.850 114.554 0.078 0.000 3.332 687 T HA 0.392 4.740 4.350 -0.002 0.000 0.367 687 T C 0.403 175.127 174.700 0.039 0.000 1.244 687 T CA -0.309 61.802 62.100 0.018 0.000 0.977 687 T CB 0.771 69.586 68.868 -0.088 0.000 1.784 687 T HN -0.183 nan 8.240 nan 0.000 0.553 688 V N 0.946 120.836 119.914 -0.041 0.000 2.567 688 V HA 0.389 4.508 4.120 -0.002 0.000 0.298 688 V C -1.405 174.656 176.094 -0.056 0.000 1.047 688 V CA -1.045 61.264 62.300 0.016 0.000 0.880 688 V CB 1.069 32.908 31.823 0.028 0.000 1.009 688 V HN 0.862 nan 8.190 nan 0.000 0.429 689 Y N 3.718 123.974 120.300 -0.074 0.000 2.352 689 Y HA 0.669 5.218 4.550 -0.002 0.000 0.326 689 Y C 0.193 176.133 175.900 0.067 0.000 1.166 689 Y CA -0.521 57.550 58.100 -0.048 0.000 1.182 689 Y CB 1.661 40.178 38.460 0.096 0.000 1.216 689 Y HN 0.614 nan 8.280 nan 0.000 0.474 690 K N 3.391 123.879 120.400 0.146 0.000 2.339 690 K HA 0.208 4.527 4.320 -0.002 0.000 0.264 690 K C -0.517 176.153 176.600 0.116 0.000 0.986 690 K CA -0.539 55.790 56.287 0.071 0.000 0.866 690 K CB 1.305 33.730 32.500 -0.124 0.000 1.103 690 K HN 0.644 nan 8.250 nan 0.000 0.441 691 T N 4.529 119.096 114.554 0.022 0.000 2.933 691 T HA 0.099 4.448 4.350 -0.002 0.000 0.306 691 T C -1.657 172.901 174.700 -0.237 0.000 1.045 691 T CA -0.806 61.114 62.100 -0.300 0.000 1.143 691 T CB 0.465 69.218 68.868 -0.191 0.000 1.003 691 T HN 0.589 nan 8.240 nan 0.000 0.540 692 P HA 0.381 nan 4.420 nan 0.000 0.278 692 P C -0.538 176.614 177.300 -0.247 0.000 1.502 692 P CA -0.119 62.847 63.100 -0.224 0.000 1.114 692 P CB 0.213 31.797 31.700 -0.194 0.000 1.541 693 L N -0.202 120.857 121.223 -0.273 0.000 2.370 693 L HA 0.743 5.081 4.340 -0.002 0.000 0.266 693 L C 0.414 177.286 176.870 0.004 0.000 1.002 693 L CA -1.082 53.638 54.840 -0.199 0.000 0.818 693 L CB 2.191 43.975 42.059 -0.459 0.000 1.325 693 L HN -0.161 nan 8.230 nan 0.000 0.418 694 A N 1.213 124.072 122.820 0.065 0.000 2.240 694 A HA 0.833 5.152 4.320 -0.002 0.000 0.292 694 A C 0.828 178.528 177.584 0.192 0.000 1.121 694 A CA 0.459 52.558 52.037 0.104 0.000 0.851 694 A CB 0.185 19.225 19.000 0.067 0.000 1.167 694 A HN 1.103 nan 8.150 nan 0.000 0.503 695 G N -1.346 107.522 108.800 0.113 0.000 2.557 695 G HA2 -0.267 3.691 3.960 -0.002 0.000 0.292 695 G HA3 -0.267 3.691 3.960 -0.002 0.000 0.292 695 G C 0.787 175.704 174.900 0.028 0.000 1.162 695 G CA 0.684 45.827 45.100 0.072 0.000 0.964 695 G HN 1.109 nan 8.290 nan 0.000 0.541 696 L N 0.846 122.016 121.223 -0.088 0.000 2.341 696 L HA 0.351 4.690 4.340 -0.002 0.000 0.214 696 L C 1.008 177.758 176.870 -0.200 0.000 1.115 696 L CA 0.030 54.741 54.840 -0.215 0.000 0.820 696 L CB -0.133 41.702 42.059 -0.374 0.000 0.944 696 L HN 0.285 nan 8.230 nan 0.000 0.452 697 F N 0.800 120.801 119.950 0.085 0.000 2.504 697 F HA 0.118 4.644 4.527 -0.002 0.000 0.369 697 F C 0.741 176.604 175.800 0.105 0.000 1.082 697 F CA -0.279 57.816 58.000 0.159 0.000 1.216 697 F CB -0.007 39.107 39.000 0.190 0.000 1.108 697 F HN 0.027 nan 8.300 nan 0.000 0.554 698 N N 1.406 120.286 118.700 0.300 0.000 2.592 698 N HA 0.251 4.990 4.740 -0.002 0.000 0.292 698 N C -1.005 174.658 175.510 0.255 0.000 1.260 698 N CA -0.824 52.346 53.050 0.200 0.000 0.910 698 N CB 0.637 39.204 38.487 0.133 0.000 1.257 698 N HN 0.388 nan 8.380 nan 0.000 0.569 699 D N 0.657 121.168 120.400 0.185 0.000 2.399 699 D HA 0.151 4.790 4.640 -0.002 0.000 0.241 699 D C 0.291 176.743 176.300 0.254 0.000 1.133 699 D CA 0.214 54.347 54.000 0.222 0.000 0.890 699 D CB 0.799 41.685 40.800 0.144 0.000 1.201 699 D HN 0.305 nan 8.370 nan 0.000 0.432 700 I N 3.238 124.000 120.570 0.321 0.000 2.421 700 I HA -0.056 4.113 4.170 -0.002 0.000 0.291 700 I C 1.538 177.771 176.117 0.193 0.000 1.089 700 I CA -0.242 61.194 61.300 0.226 0.000 1.354 700 I CB 0.246 38.402 38.000 0.260 0.000 1.413 700 I HN 0.100 nan 8.210 nan 0.000 0.513 701 E N 5.338 125.612 120.200 0.122 0.000 3.787 701 E HA -0.152 4.197 4.350 -0.002 0.000 0.418 701 E C 1.603 178.272 176.600 0.115 0.000 1.529 701 E CA 0.233 56.706 56.400 0.121 0.000 2.366 701 E CB -0.068 29.706 29.700 0.122 0.000 1.118 701 E HN 0.673 nan 8.360 nan 0.000 0.671 702 H N 0.637 119.758 119.070 0.085 0.000 2.460 702 H HA -0.144 4.411 4.556 -0.002 0.000 0.297 702 H C 1.399 176.787 175.328 0.101 0.000 1.103 702 H CA 1.811 57.906 56.048 0.078 0.000 1.292 702 H CB -0.365 29.430 29.762 0.054 0.000 1.376 702 H HN 0.480 nan 8.280 nan 0.000 0.531 703 N N 0.231 118.602 118.700 -0.548 0.000 2.247 703 N HA -0.204 4.535 4.740 -0.002 0.000 0.189 703 N C 0.774 176.219 175.510 -0.107 0.000 1.009 703 N CA 0.306 53.094 53.050 -0.437 0.000 0.872 703 N CB -0.221 38.120 38.487 -0.244 0.000 0.980 703 N HN 0.336 nan 8.380 nan 0.000 0.436 704 H N -0.064 118.963 119.070 -0.071 0.000 3.034 704 H HA 0.001 4.556 4.556 -0.002 0.000 0.324 704 H C -0.157 175.195 175.328 0.039 0.000 1.015 704 H CA 0.625 56.685 56.048 0.021 0.000 1.429 704 H CB 0.577 30.391 29.762 0.086 0.000 1.429 704 H HN 0.217 nan 8.280 nan 0.000 0.585 705 C N 6.692 126.024 119.300 0.053 0.000 3.626 705 C HA 0.247 4.706 4.460 -0.002 0.000 0.276 705 C C -0.044 175.003 174.990 0.095 0.000 1.694 705 C CA -0.577 58.489 59.018 0.080 0.000 1.785 705 C CB -0.777 26.917 27.740 -0.077 0.000 3.152 705 C HN 0.493 nan 8.230 nan 0.000 0.571 706 I N 2.127 122.828 120.570 0.218 0.000 2.676 706 I HA 0.604 4.772 4.170 -0.002 0.000 0.309 706 I C -0.373 176.033 176.117 0.482 0.000 0.990 706 I CA -0.894 60.563 61.300 0.261 0.000 1.168 706 I CB 0.733 38.690 38.000 -0.071 0.000 1.343 706 I HN 0.242 nan 8.210 nan 0.000 0.482 707 E N 2.791 123.149 120.200 0.263 0.000 2.291 707 E HA 0.492 4.841 4.350 -0.002 0.000 0.276 707 E C -1.213 175.453 176.600 0.111 0.000 0.896 707 E CA -0.813 55.765 56.400 0.297 0.000 0.774 707 E CB 1.021 30.832 29.700 0.185 0.000 1.227 707 E HN 0.318 nan 8.360 nan 0.000 0.413 708 R N 1.927 122.493 120.500 0.110 0.000 2.449 708 R HA 0.409 4.748 4.340 -0.002 0.000 0.296 708 R C -0.182 176.073 176.300 -0.075 0.000 1.047 708 R CA -0.151 55.833 56.100 -0.195 0.000 1.018 708 R CB 0.337 30.549 30.300 -0.146 0.000 0.962 708 R HN 0.533 nan 8.270 nan 0.000 0.428 709 E N 1.427 121.559 120.200 -0.114 0.000 2.412 709 E HA 0.361 4.709 4.350 -0.002 0.000 0.255 709 E C -1.324 175.295 176.600 0.032 0.000 0.933 709 E CA -0.853 55.541 56.400 -0.010 0.000 0.823 709 E CB 1.138 30.839 29.700 0.002 0.000 1.352 709 E HN 0.450 nan 8.360 nan 0.000 0.406 710 F N 1.453 121.367 119.950 -0.059 0.000 2.399 710 F HA 0.463 4.989 4.527 -0.002 0.000 0.334 710 F C -0.379 175.412 175.800 -0.016 0.000 1.097 710 F CA -0.975 57.002 58.000 -0.038 0.000 1.076 710 F CB 0.631 39.627 39.000 -0.008 0.000 1.162 710 F HN 0.223 nan 8.300 nan 0.000 0.495 711 I N 7.390 128.094 120.570 0.224 0.000 2.395 711 I HA 0.221 4.390 4.170 -0.002 0.000 0.289 711 I C -1.796 174.155 176.117 -0.277 0.000 1.023 711 I CA -2.120 59.173 61.300 -0.011 0.000 1.350 711 I CB 1.426 39.513 38.000 0.146 0.000 1.409 711 I HN 0.632 nan 8.210 nan 0.000 0.507 712 P HA -0.089 nan 4.420 nan 0.000 0.230 712 P C 0.070 177.353 177.300 -0.028 0.000 1.291 712 P CA 0.923 63.891 63.100 -0.221 0.000 0.702 712 P CB 0.398 32.009 31.700 -0.148 0.000 0.903 713 E N -4.070 116.118 120.200 -0.021 0.000 1.122 713 E HA -0.122 4.227 4.350 -0.002 0.000 0.204 713 E C 0.331 176.894 176.600 -0.061 0.000 0.854 713 E CA 0.988 57.373 56.400 -0.024 0.000 0.854 713 E CB -1.519 28.189 29.700 0.013 0.000 4.918 713 E HN 0.208 nan 8.360 nan 0.000 0.557 714 S N -0.470 115.195 115.700 -0.058 0.000 3.350 714 S HA -0.365 4.104 4.470 -0.002 0.000 0.341 714 S C 0.402 174.962 174.600 -0.067 0.000 1.176 714 S CA 1.623 59.788 58.200 -0.059 0.000 0.972 714 S CB -2.298 60.871 63.200 -0.051 0.000 0.953 714 S HN 0.561 nan 8.310 nan 0.000 0.565 715 M N 0.897 120.452 119.600 -0.076 0.000 2.114 715 M HA 0.638 5.117 4.480 -0.002 0.000 0.293 715 M C 0.783 177.034 176.300 -0.081 0.000 1.201 715 M CA 0.853 56.094 55.300 -0.098 0.000 1.107 715 M CB 0.634 33.163 32.600 -0.119 0.000 1.405 715 M HN 0.518 nan 8.290 nan 0.000 0.486 716 E N -0.394 119.748 120.200 -0.097 0.000 0.626 716 E HA 0.044 4.393 4.350 -0.002 0.000 0.131 716 E C -0.964 175.580 176.600 -0.094 0.000 2.466 716 E CA -0.442 55.911 56.400 -0.077 0.000 1.457 716 E CB 0.104 29.772 29.700 -0.055 0.000 0.705 716 E HN 0.658 nan 8.360 nan 0.000 0.881 717 N N 0.828 119.483 118.700 -0.075 0.000 2.991 717 N HA 0.161 4.900 4.740 -0.002 0.000 0.324 717 N C -1.250 174.205 175.510 -0.093 0.000 1.208 717 N CA 0.422 53.428 53.050 -0.074 0.000 1.190 717 N CB -0.036 38.421 38.487 -0.051 0.000 1.443 717 N HN 0.052 nan 8.380 nan 0.000 0.542 718 V N 0.936 120.768 119.914 -0.137 0.000 2.733 718 V HA 0.302 4.421 4.120 -0.002 0.000 0.306 718 V C -0.248 175.693 176.094 -0.255 0.000 1.084 718 V CA -1.071 61.127 62.300 -0.171 0.000 0.905 718 V CB 2.252 33.965 31.823 -0.183 0.000 1.010 718 V HN 0.299 nan 8.190 nan 0.000 0.424 719 K N 3.179 123.452 120.400 -0.211 0.000 2.123 719 K HA 0.746 5.064 4.320 -0.002 0.000 0.248 719 K C -0.620 175.825 176.600 -0.259 0.000 0.969 719 K CA -0.697 55.447 56.287 -0.237 0.000 0.882 719 K CB 1.320 33.783 32.500 -0.062 0.000 1.080 719 K HN 0.307 nan 8.250 nan 0.000 0.441 720 F N 0.999 120.900 119.950 -0.081 0.000 2.595 720 F HA -0.032 4.493 4.527 -0.002 0.000 0.359 720 F C 0.556 176.218 175.800 -0.230 0.000 1.147 720 F CA -0.628 57.236 58.000 -0.227 0.000 1.341 720 F CB 0.261 39.070 39.000 -0.318 0.000 1.104 720 F HN 0.322 nan 8.300 nan 0.000 0.603 721 L N 4.688 125.816 121.223 -0.158 0.000 2.264 721 L HA 0.460 4.799 4.340 -0.002 0.000 0.289 721 L C -1.300 175.353 176.870 -0.363 0.000 1.044 721 L CA -0.423 54.323 54.840 -0.158 0.000 0.807 721 L CB -0.145 41.832 42.059 -0.137 0.000 1.192 721 L HN 0.297 nan 8.230 nan 0.000 0.425 722 F N 4.578 124.501 119.950 -0.045 0.000 2.458 722 F HA 0.775 5.301 4.527 -0.002 0.000 0.336 722 F C 1.033 176.719 175.800 -0.190 0.000 1.114 722 F CA 0.272 58.204 58.000 -0.113 0.000 0.987 722 F CB 1.428 40.358 39.000 -0.117 0.000 1.130 722 F HN 0.862 nan 8.300 nan 0.000 0.458 723 G N 2.132 110.835 108.800 -0.163 0.000 2.698 723 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.225 723 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.225 723 G C -0.878 174.015 174.900 -0.011 0.000 1.345 723 G CA -1.260 43.681 45.100 -0.264 0.000 0.871 723 G HN 0.707 nan 8.290 nan 0.000 0.540 724 L N 1.674 122.926 121.223 0.048 0.000 2.578 724 L HA 0.198 4.537 4.340 -0.002 0.000 0.279 724 L C -1.241 175.677 176.870 0.079 0.000 1.227 724 L CA -0.985 53.914 54.840 0.098 0.000 0.900 724 L CB -0.028 42.082 42.059 0.085 0.000 1.144 724 L HN 0.392 nan 8.230 nan 0.000 0.496 725 P HA -0.007 nan 4.420 nan 0.000 0.270 725 P C -0.545 176.801 177.300 0.078 0.000 1.227 725 P CA -0.223 62.949 63.100 0.120 0.000 0.788 725 P CB 0.447 32.264 31.700 0.196 0.000 0.926 726 K N 0.901 121.339 120.400 0.063 0.000 2.350 726 K HA 0.285 4.604 4.320 -0.002 0.000 0.279 726 K C 0.958 177.576 176.600 0.030 0.000 1.027 726 K CA 0.611 56.921 56.287 0.038 0.000 0.969 726 K CB -0.337 32.181 32.500 0.030 0.000 0.954 726 K HN 0.737 nan 8.250 nan 0.000 0.474 727 G N 2.134 110.945 108.800 0.018 0.000 2.258 727 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.274 727 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.274 727 G C 0.078 174.983 174.900 0.008 0.000 1.021 727 G CA 0.396 45.501 45.100 0.007 0.000 0.798 727 G HN 0.816 nan 8.290 nan 0.000 0.507 728 A N 0.256 123.093 122.820 0.027 0.000 2.454 728 A HA 0.552 4.871 4.320 -0.002 0.000 0.260 728 A C 0.932 178.532 177.584 0.028 0.000 1.106 728 A CA 0.524 52.587 52.037 0.044 0.000 0.780 728 A CB 0.250 19.300 19.000 0.084 0.000 1.044 728 A HN 0.931 nan 8.150 nan 0.000 0.498 729 K N 2.083 122.507 120.400 0.041 0.000 2.237 729 K HA 0.605 4.924 4.320 -0.002 0.000 0.270 729 K C -0.471 176.147 176.600 0.029 0.000 1.015 729 K CA -0.377 55.928 56.287 0.029 0.000 0.949 729 K CB 0.539 33.057 32.500 0.029 0.000 0.976 729 K HN 0.728 nan 8.250 nan 0.000 0.472 730 L N -2.472 118.686 121.223 -0.108 0.000 2.828 730 L HA 0.682 5.021 4.340 -0.002 0.000 0.264 730 L C 0.387 177.108 176.870 -0.250 0.000 1.106 730 L CA -0.393 54.224 54.840 -0.372 0.000 0.955 730 L CB 0.654 42.332 42.059 -0.634 0.000 1.558 730 L HN 0.833 nan 8.230 nan 0.000 0.386 731 G N 0.125 108.748 108.800 -0.295 0.000 2.627 731 G HA2 -0.171 3.787 3.960 -0.002 0.000 0.312 731 G HA3 -0.171 3.787 3.960 -0.002 0.000 0.312 731 G C 0.800 175.649 174.900 -0.085 0.000 1.299 731 G CA 1.328 46.338 45.100 -0.150 0.000 0.989 731 G HN 1.990 nan 8.290 nan 0.000 0.547 732 A N -0.754 122.021 122.820 -0.074 0.000 2.255 732 A HA 0.467 4.786 4.320 -0.002 0.000 0.206 732 A C 2.121 179.673 177.584 -0.054 0.000 1.193 732 A CA 2.104 54.105 52.037 -0.060 0.000 0.794 732 A CB -0.245 18.723 19.000 -0.053 0.000 0.794 732 A HN 1.169 nan 8.150 nan 0.000 0.481 733 S N -0.104 115.567 115.700 -0.048 0.000 2.578 733 S HA 0.152 4.621 4.470 -0.002 0.000 0.231 733 S C 0.557 175.166 174.600 0.015 0.000 0.994 733 S CA -0.286 57.898 58.200 -0.028 0.000 0.956 733 S CB 0.140 63.321 63.200 -0.033 0.000 0.870 733 S HN 0.528 nan 8.310 nan 0.000 0.494 734 S N 2.457 118.179 115.700 0.037 0.000 2.566 734 S HA 0.184 4.653 4.470 -0.002 0.000 0.280 734 S C 0.272 174.983 174.600 0.185 0.000 1.343 734 S CA -0.435 57.857 58.200 0.154 0.000 1.036 734 S CB 0.203 63.449 63.200 0.076 0.000 0.866 734 S HN 0.184 nan 8.310 nan 0.000 0.526 735 L N 1.617 123.028 121.223 0.314 0.000 2.503 735 L HA 0.139 4.478 4.340 -0.002 0.000 0.287 735 L C 0.999 177.977 176.870 0.181 0.000 1.252 735 L CA 0.217 55.107 54.840 0.084 0.000 0.835 735 L CB -0.705 41.247 42.059 -0.177 0.000 1.099 735 L HN 0.865 nan 8.230 nan 0.000 0.516 736 A N 1.530 124.414 122.820 0.108 0.000 2.546 736 A HA 0.444 4.763 4.320 -0.002 0.000 0.243 736 A C 1.165 178.842 177.584 0.156 0.000 1.063 736 A CA 0.604 52.700 52.037 0.099 0.000 0.757 736 A CB -0.466 18.558 19.000 0.040 0.000 0.991 736 A HN 1.351 nan 8.150 nan 0.000 0.503 737 G N 1.166 110.018 108.800 0.087 0.000 2.278 737 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.210 737 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.210 737 G C -0.028 174.740 174.900 -0.220 0.000 1.000 737 G CA -0.046 45.009 45.100 -0.075 0.000 0.635 737 G HN 0.661 nan 8.290 nan 0.000 0.495 738 F N 3.716 123.606 119.950 -0.101 0.000 2.394 738 F HA 0.588 5.114 4.527 -0.002 0.000 0.340 738 F C -1.330 174.249 175.800 -0.369 0.000 1.105 738 F CA -2.187 55.700 58.000 -0.188 0.000 1.124 738 F CB 1.487 40.427 39.000 -0.099 0.000 1.145 738 F HN -0.096 nan 8.300 nan 0.000 0.505 739 P HA 0.312 nan 4.420 nan 0.000 0.278 739 P C -0.986 175.988 177.300 -0.544 0.000 1.258 739 P CA -0.457 62.132 63.100 -0.850 0.000 0.811 739 P CB 1.896 32.355 31.700 -2.068 0.000 1.063 740 S N 0.075 115.457 115.700 -0.531 0.000 2.547 740 S HA 0.359 4.828 4.470 -0.002 0.000 0.270 740 S C 0.337 174.685 174.600 -0.420 0.000 1.150 740 S CA -0.738 57.241 58.200 -0.368 0.000 0.850 740 S CB 0.511 63.600 63.200 -0.186 0.000 1.118 740 S HN 0.227 nan 8.310 nan 0.000 0.461 741 L N 2.968 124.006 121.223 -0.309 0.000 2.567 741 L HA 0.333 4.672 4.340 -0.002 0.000 0.225 741 L C 1.829 178.770 176.870 0.118 0.000 1.119 741 L CA 0.027 54.816 54.840 -0.086 0.000 0.871 741 L CB -0.165 41.794 42.059 -0.166 0.000 1.036 741 L HN 0.541 nan 8.230 nan 0.000 0.459 742 K N 0.400 120.794 120.400 -0.010 0.000 2.525 742 K HA 0.028 4.347 4.320 -0.002 0.000 0.192 742 K C 1.510 178.127 176.600 0.029 0.000 1.029 742 K CA 0.857 57.138 56.287 -0.010 0.000 1.029 742 K CB -0.067 32.392 32.500 -0.069 0.000 0.814 742 K HN 0.368 nan 8.250 nan 0.000 0.503 743 T N -1.606 113.019 114.554 0.118 0.000 3.122 743 T HA 0.240 4.589 4.350 -0.002 0.000 0.250 743 T C 0.223 174.959 174.700 0.059 0.000 1.067 743 T CA -0.267 61.886 62.100 0.088 0.000 0.966 743 T CB 0.045 68.984 68.868 0.118 0.000 1.002 743 T HN -0.137 nan 8.240 nan 0.000 0.542 744 L N 2.030 123.272 121.223 0.032 0.000 2.513 744 L HA 0.540 4.879 4.340 -0.002 0.000 0.261 744 L C -2.625 174.153 176.870 -0.154 0.000 0.945 744 L CA -2.068 52.673 54.840 -0.166 0.000 0.848 744 L CB 2.416 44.172 42.059 -0.505 0.000 1.334 744 L HN -0.157 nan 8.230 nan 0.000 0.407 745 P HA 0.490 nan 4.420 nan 0.000 0.271 745 P C -1.305 175.907 177.300 -0.146 0.000 1.216 745 P CA -0.168 62.853 63.100 -0.132 0.000 0.771 745 P CB 1.046 32.667 31.700 -0.132 0.000 0.864 746 L N -0.438 120.730 121.223 -0.092 0.000 3.064 746 L HA 0.812 5.151 4.340 -0.002 0.000 0.282 746 L C -1.053 175.804 176.870 -0.022 0.000 1.045 746 L CA -0.588 54.212 54.840 -0.065 0.000 0.986 746 L CB 1.038 43.062 42.059 -0.058 0.000 1.571 746 L HN 0.174 nan 8.230 nan 0.000 0.377 747 T N 0.047 114.618 114.554 0.029 0.000 2.993 747 T HA 0.874 5.223 4.350 -0.002 0.000 0.312 747 T C -0.998 173.781 174.700 0.132 0.000 1.115 747 T CA 0.020 62.143 62.100 0.038 0.000 1.027 747 T CB 1.804 70.661 68.868 -0.017 0.000 1.116 747 T HN 1.034 nan 8.240 nan 0.000 0.464 748 A N 2.245 125.123 122.820 0.096 0.000 2.330 748 A HA 0.936 5.255 4.320 -0.002 0.000 0.329 748 A C -0.663 176.998 177.584 0.128 0.000 1.135 748 A CA -0.537 51.578 52.037 0.130 0.000 0.817 748 A CB 1.379 20.421 19.000 0.071 0.000 1.269 748 A HN 0.739 nan 8.150 nan 0.000 0.469 749 E N 1.561 121.849 120.200 0.147 0.000 2.879 749 E HA 0.194 4.543 4.350 -0.002 0.000 0.345 749 E C -1.833 174.823 176.600 0.094 0.000 0.955 749 E CA -0.345 56.124 56.400 0.115 0.000 0.801 749 E CB 0.799 30.598 29.700 0.166 0.000 1.324 749 E HN 0.667 nan 8.360 nan 0.000 0.417 750 L N 2.832 124.079 121.223 0.040 0.000 2.462 750 L HA 0.464 4.803 4.340 -0.002 0.000 0.272 750 L C 0.285 177.140 176.870 -0.026 0.000 1.166 750 L CA 0.448 55.276 54.840 -0.020 0.000 0.880 750 L CB 0.636 42.662 42.059 -0.054 0.000 1.142 750 L HN 0.572 nan 8.230 nan 0.000 0.473 751 A N 3.321 126.104 122.820 -0.062 0.000 2.556 751 A HA 0.598 4.917 4.320 -0.002 0.000 0.294 751 A C -1.440 176.061 177.584 -0.138 0.000 1.091 751 A CA -0.599 51.414 52.037 -0.040 0.000 0.704 751 A CB 0.720 19.756 19.000 0.060 0.000 1.300 751 A HN 0.474 nan 8.150 nan 0.000 0.406 752 Y N 1.509 121.827 120.300 0.030 0.000 2.587 752 Y HA 0.132 4.681 4.550 -0.002 0.000 0.344 752 Y C 1.323 177.235 175.900 0.019 0.000 1.061 752 Y CA 0.929 59.044 58.100 0.025 0.000 1.370 752 Y CB 0.543 39.025 38.460 0.036 0.000 1.163 752 Y HN 0.839 nan 8.280 nan 0.000 0.527 753 N N 0.173 118.926 118.700 0.090 0.000 2.171 753 N HA -0.019 4.720 4.740 -0.002 0.000 0.212 753 N C 0.046 175.587 175.510 0.053 0.000 1.184 753 N CA 0.561 53.642 53.050 0.052 0.000 0.888 753 N CB 0.386 38.872 38.487 -0.002 0.000 1.038 753 N HN 0.441 nan 8.380 nan 0.000 0.517 754 S N -0.555 115.192 115.700 0.079 0.000 3.521 754 S HA -0.199 4.270 4.470 -0.002 0.000 0.362 754 S C -0.198 174.424 174.600 0.036 0.000 1.044 754 S CA 0.581 58.825 58.200 0.074 0.000 1.091 754 S CB -2.374 60.873 63.200 0.079 0.000 0.908 754 S HN 0.371 nan 8.310 nan 0.000 0.473 755 S N 1.144 116.843 115.700 -0.001 0.000 2.596 755 S HA 0.168 4.637 4.470 -0.002 0.000 0.298 755 S C 0.640 175.203 174.600 -0.062 0.000 1.255 755 S CA -0.203 57.968 58.200 -0.049 0.000 1.083 755 S CB 0.419 63.558 63.200 -0.102 0.000 0.837 755 S HN 0.400 nan 8.310 nan 0.000 0.499 756 V N 6.117 125.988 119.914 -0.072 0.000 2.320 756 V HA 0.147 4.265 4.120 -0.002 0.000 0.265 756 V C 0.821 176.791 176.094 -0.205 0.000 1.048 756 V CA -0.208 62.039 62.300 -0.088 0.000 0.865 756 V CB 0.784 32.578 31.823 -0.049 0.000 1.043 756 V HN 0.818 nan 8.190 nan 0.000 0.474 757 V N 3.701 123.398 119.914 -0.361 0.000 3.048 757 V HA 0.133 4.252 4.120 -0.002 0.000 0.241 757 V C 1.108 176.694 176.094 -0.847 0.000 1.129 757 V CA 1.197 63.092 62.300 -0.674 0.000 1.128 757 V CB -0.144 31.088 31.823 -0.985 0.000 0.849 757 V HN 0.672 nan 8.190 nan 0.000 0.475 758 F N 0.926 120.757 119.950 -0.199 0.000 2.496 758 F HA 0.258 4.784 4.527 -0.002 0.000 0.201 758 F C 1.893 177.574 175.800 -0.198 0.000 1.140 758 F CA 0.612 58.495 58.000 -0.195 0.000 0.981 758 F CB -0.328 38.526 39.000 -0.244 0.000 1.222 758 F HN -0.087 nan 8.300 nan 0.000 0.653 759 N N -1.669 116.982 118.700 -0.081 0.000 2.516 759 N HA 0.199 4.938 4.740 -0.002 0.000 0.197 759 N C -0.666 174.618 175.510 -0.377 0.000 1.064 759 N CA 0.057 52.847 53.050 -0.433 0.000 0.866 759 N CB 0.413 38.339 38.487 -0.936 0.000 1.255 759 N HN 0.029 nan 8.380 nan 0.000 0.447 760 F N 1.289 121.316 119.950 0.128 0.000 2.538 760 F HA 0.479 5.004 4.527 -0.002 0.000 0.325 760 F C -2.151 173.706 175.800 0.096 0.000 1.066 760 F CA -2.750 55.312 58.000 0.103 0.000 0.946 760 F CB 1.476 40.544 39.000 0.114 0.000 1.199 760 F HN -0.249 nan 8.300 nan 0.000 0.473 761 P HA 0.009 nan 4.420 nan 0.000 0.271 761 P C -0.320 177.091 177.300 0.186 0.000 1.226 761 P CA -0.076 63.125 63.100 0.169 0.000 0.765 761 P CB 1.337 33.112 31.700 0.125 0.000 0.835 762 S N 2.957 118.752 115.700 0.160 0.000 2.558 762 S HA -0.019 4.450 4.470 -0.002 0.000 0.287 762 S C 1.079 175.779 174.600 0.167 0.000 1.321 762 S CA 0.107 58.410 58.200 0.172 0.000 1.048 762 S CB 0.034 63.297 63.200 0.106 0.000 0.844 762 S HN 0.346 nan 8.310 nan 0.000 0.512 763 K N 1.918 122.432 120.400 0.190 0.000 2.354 763 K HA 0.145 4.464 4.320 -0.002 0.000 0.194 763 K C 0.489 177.289 176.600 0.334 0.000 1.038 763 K CA -0.031 56.381 56.287 0.210 0.000 1.052 763 K CB 0.189 32.786 32.500 0.161 0.000 0.861 763 K HN 0.507 nan 8.250 nan 0.000 0.535 764 Q N 1.260 121.228 119.800 0.281 0.000 2.222 764 Q HA 0.127 4.466 4.340 -0.002 0.000 0.211 764 Q C -0.162 175.838 176.000 -0.001 0.000 1.013 764 Q CA -0.058 55.886 55.803 0.236 0.000 0.993 764 Q CB 0.762 29.606 28.738 0.177 0.000 1.151 764 Q HN 0.103 nan 8.270 nan 0.000 0.544 765 Q N -0.743 118.886 119.800 -0.285 0.000 2.193 765 Q HA 0.772 5.111 4.340 -0.002 0.000 0.246 765 Q C -0.836 174.965 176.000 -0.331 0.000 0.959 765 Q CA -0.798 54.735 55.803 -0.450 0.000 0.904 765 Q CB 1.503 29.837 28.738 -0.674 0.000 1.238 765 Q HN 0.338 nan 8.270 nan 0.000 0.469 766 S N 0.543 116.081 115.700 -0.269 0.000 2.599 766 S HA 0.443 4.912 4.470 -0.002 0.000 0.287 766 S C -0.968 173.548 174.600 -0.140 0.000 1.105 766 S CA -0.855 57.192 58.200 -0.255 0.000 0.899 766 S CB 1.424 64.511 63.200 -0.188 0.000 1.100 766 S HN 0.693 nan 8.310 nan 0.000 0.482 767 M N 3.378 122.938 119.600 -0.066 0.000 2.383 767 M HA 0.344 4.823 4.480 -0.002 0.000 0.337 767 M C -1.223 175.174 176.300 0.162 0.000 1.422 767 M CA -0.151 55.227 55.300 0.131 0.000 1.333 767 M CB -0.479 32.363 32.600 0.403 0.000 1.488 767 M HN 0.393 nan 8.290 nan 0.000 0.454 768 V N 6.728 126.694 119.914 0.086 0.000 2.583 768 V HA 0.285 4.404 4.120 -0.002 0.000 0.287 768 V C 0.052 176.180 176.094 0.056 0.000 1.051 768 V CA -0.424 61.892 62.300 0.027 0.000 1.010 768 V CB 1.094 32.886 31.823 -0.051 0.000 0.988 768 V HN 0.670 nan 8.190 nan 0.000 0.478 769 L N 5.469 126.706 121.223 0.024 0.000 2.316 769 L HA 0.478 4.817 4.340 -0.002 0.000 0.280 769 L C -0.264 176.586 176.870 -0.033 0.000 1.006 769 L CA -0.483 54.398 54.840 0.069 0.000 0.836 769 L CB 0.869 43.024 42.059 0.160 0.000 1.221 769 L HN 0.627 nan 8.230 nan 0.000 0.418 770 H N 5.163 124.234 119.070 0.002 0.000 2.820 770 H HA 0.333 4.888 4.556 -0.002 0.000 0.278 770 H C -0.101 175.177 175.328 -0.084 0.000 1.142 770 H CA -0.548 55.482 56.048 -0.031 0.000 1.346 770 H CB 1.443 31.190 29.762 -0.025 0.000 1.438 770 H HN 0.356 nan 8.280 nan 0.000 0.473 771 I N 3.820 124.357 120.570 -0.056 0.000 2.474 771 I HA 0.047 4.216 4.170 -0.002 0.000 0.287 771 I C 0.763 176.790 176.117 -0.150 0.000 1.048 771 I CA -0.375 60.822 61.300 -0.172 0.000 1.383 771 I CB 1.118 38.930 38.000 -0.313 0.000 1.412 771 I HN 0.459 nan 8.210 nan 0.000 0.531 772 Q N 3.867 123.562 119.800 -0.176 0.000 2.214 772 Q HA 0.380 4.719 4.340 -0.002 0.000 0.251 772 Q C -1.152 174.684 176.000 -0.273 0.000 0.936 772 Q CA -0.878 54.817 55.803 -0.179 0.000 0.894 772 Q CB 1.014 29.667 28.738 -0.143 0.000 1.252 772 Q HN 0.407 nan 8.270 nan 0.000 0.448 773 D N 1.940 122.140 120.400 -0.333 0.000 2.342 773 D HA 0.127 4.766 4.640 -0.002 0.000 0.260 773 D C -0.765 175.139 176.300 -0.659 0.000 1.278 773 D CA -0.227 53.390 54.000 -0.639 0.000 0.910 773 D CB 0.322 40.514 40.800 -1.014 0.000 1.079 773 D HN 0.252 nan 8.370 nan 0.000 0.496 774 L N 3.886 124.809 121.223 -0.500 0.000 2.838 774 L HA 0.030 4.369 4.340 -0.002 0.000 0.287 774 L C -0.417 176.318 176.870 -0.224 0.000 1.124 774 L CA 0.885 55.553 54.840 -0.287 0.000 1.091 774 L CB -1.625 40.333 42.059 -0.168 0.000 1.448 774 L HN 0.403 nan 8.230 nan 0.000 0.455 782 L N 2.913 124.058 121.223 -0.130 0.000 2.263 782 L HA 0.104 4.443 4.340 -0.002 0.000 0.216 782 L C 2.135 178.805 176.870 -0.333 0.000 1.111 782 L CA 2.589 57.307 54.840 -0.204 0.000 0.773 782 L CB -0.381 41.559 42.059 -0.197 0.000 0.906 782 L HN 0.555 nan 8.230 nan 0.000 0.439 783 S N -2.010 113.587 115.700 -0.172 0.000 2.456 783 S HA -0.082 4.387 4.470 -0.002 0.000 0.224 783 S C 1.688 176.251 174.600 -0.061 0.000 1.035 783 S CA 0.557 58.706 58.200 -0.086 0.000 0.940 783 S CB -0.256 63.012 63.200 0.114 0.000 0.799 783 S HN 0.501 nan 8.310 nan 0.000 0.508 784 D N 1.524 121.888 120.400 -0.059 0.000 2.117 784 D HA -0.049 4.590 4.640 -0.002 0.000 0.198 784 D C 2.003 178.254 176.300 -0.081 0.000 0.982 784 D CA 0.828 54.794 54.000 -0.056 0.000 0.828 784 D CB -0.326 40.447 40.800 -0.046 0.000 0.967 784 D HN 0.347 nan 8.370 nan 0.000 0.464 785 L N 1.109 122.287 121.223 -0.075 0.000 1.997 785 L HA -0.297 4.042 4.340 -0.002 0.000 0.216 785 L C 2.519 179.356 176.870 -0.054 0.000 1.074 785 L CA 1.806 56.623 54.840 -0.038 0.000 0.763 785 L CB -0.300 41.760 42.059 0.001 0.000 0.890 785 L HN -0.028 nan 8.230 nan 0.000 0.434 786 A N -0.592 122.162 122.820 -0.109 0.000 1.917 786 A HA -0.332 3.987 4.320 -0.002 0.000 0.219 786 A C 2.288 179.850 177.584 -0.037 0.000 1.182 786 A CA 2.345 54.337 52.037 -0.075 0.000 0.633 786 A CB -0.569 18.357 19.000 -0.123 0.000 0.819 786 A HN 0.446 nan 8.150 nan 0.000 0.448 787 K N -0.890 119.478 120.400 -0.053 0.000 2.097 787 K HA -0.121 4.197 4.320 -0.002 0.000 0.206 787 K C 2.318 178.856 176.600 -0.104 0.000 1.049 787 K CA 1.481 57.736 56.287 -0.053 0.000 0.933 787 K CB -0.137 32.337 32.500 -0.045 0.000 0.717 787 K HN 0.441 nan 8.250 nan 0.000 0.442 788 R N -0.755 119.625 120.500 -0.200 0.000 2.073 788 R HA -0.101 4.238 4.340 -0.002 0.000 0.234 788 R C 1.598 177.637 176.300 -0.436 0.000 1.134 788 R CA 1.705 57.564 56.100 -0.402 0.000 0.952 788 R CB 0.027 29.952 30.300 -0.626 0.000 0.850 788 R HN 0.347 nan 8.270 nan 0.000 0.433 789 H N -1.760 117.306 119.070 -0.006 0.000 2.705 789 H HA 0.120 4.675 4.556 -0.002 0.000 0.269 789 H C -0.050 175.270 175.328 -0.014 0.000 0.998 789 H CA -0.204 55.841 56.048 -0.004 0.000 1.193 789 H CB 0.186 29.949 29.762 0.000 0.000 1.485 789 H HN 0.118 nan 8.280 nan 0.000 0.521 790 M N 0.716 120.356 119.600 0.067 0.000 2.252 790 M HA 0.188 4.667 4.480 -0.002 0.000 0.348 790 M C 1.277 177.581 176.300 0.007 0.000 1.334 790 M CA 0.947 56.267 55.300 0.033 0.000 1.071 790 M CB 0.300 32.913 32.600 0.023 0.000 1.763 790 M HN 0.502 nan 8.290 nan 0.000 0.452 791 G N 2.968 111.751 108.800 -0.027 0.000 2.180 791 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.263 791 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.263 791 G C 0.129 174.998 174.900 -0.051 0.000 0.989 791 G CA 0.877 45.936 45.100 -0.069 0.000 0.692 791 G HN 0.630 nan 8.290 nan 0.000 0.526 792 K N -0.664 119.734 120.400 -0.003 0.000 2.221 792 K HA 0.641 4.960 4.320 -0.002 0.000 0.243 792 K C 0.487 177.104 176.600 0.028 0.000 0.968 792 K CA -1.322 54.987 56.287 0.037 0.000 0.846 792 K CB 1.089 33.646 32.500 0.096 0.000 1.141 792 K HN -0.031 nan 8.250 nan 0.000 0.434 793 I N 3.164 123.758 120.570 0.040 0.000 2.662 793 I HA -0.011 4.158 4.170 -0.002 0.000 0.285 793 I C 0.124 176.197 176.117 -0.074 0.000 1.161 793 I CA 0.283 61.569 61.300 -0.023 0.000 1.415 793 I CB -0.312 37.669 38.000 -0.031 0.000 1.385 793 I HN 0.319 nan 8.210 nan 0.000 0.552 794 V N 5.554 125.376 119.914 -0.152 0.000 3.001 794 V HA 0.555 4.674 4.120 -0.002 0.000 0.314 794 V C -1.081 174.858 176.094 -0.258 0.000 1.099 794 V CA -1.051 61.156 62.300 -0.154 0.000 0.989 794 V CB 1.955 33.686 31.823 -0.154 0.000 1.040 794 V HN 0.417 nan 8.190 nan 0.000 0.434 795 Y N 2.009 122.284 120.300 -0.042 0.000 2.341 795 Y HA 0.722 5.271 4.550 -0.002 0.000 0.340 795 Y C 0.961 176.823 175.900 -0.063 0.000 0.997 795 Y CA 0.274 58.362 58.100 -0.019 0.000 1.149 795 Y CB 1.690 40.149 38.460 -0.001 0.000 1.171 795 Y HN 1.023 nan 8.280 nan 0.000 0.494 796 S N 1.993 117.690 115.700 -0.006 0.000 2.841 796 S HA 0.651 5.120 4.470 -0.002 0.000 0.318 796 S C -0.349 174.095 174.600 -0.261 0.000 1.127 796 S CA -1.399 56.634 58.200 -0.279 0.000 0.883 796 S CB 1.500 64.478 63.200 -0.371 0.000 1.271 796 S HN 0.696 nan 8.310 nan 0.000 0.567 797 R N -0.188 119.933 120.500 -0.632 0.000 3.152 797 R HA -0.164 4.175 4.340 -0.002 0.000 0.252 797 R C 0.320 176.675 176.300 0.090 0.000 0.930 797 R CA 0.543 56.581 56.100 -0.104 0.000 0.642 797 R CB -1.551 28.806 30.300 0.095 0.000 1.205 797 R HN 0.824 nan 8.270 nan 0.000 0.452 798 W N 3.744 125.001 121.300 -0.072 0.000 2.194 798 W HA -0.152 4.507 4.660 -0.002 0.000 0.323 798 W C -1.143 175.390 176.519 0.024 0.000 1.222 798 W CA 2.510 59.833 57.345 -0.037 0.000 1.136 798 W CB -1.715 27.721 29.460 -0.040 0.000 1.162 798 W HN 0.327 nan 8.180 nan 0.000 0.466 799 P HA -0.223 nan 4.420 nan 0.000 0.216 799 P C 0.569 177.435 177.300 -0.723 0.000 1.157 799 P CA 1.838 64.168 63.100 -1.283 0.000 0.880 799 P CB -0.546 30.679 31.700 -0.792 0.000 0.791 800 F N -0.241 119.518 119.950 -0.319 0.000 2.606 800 F HA 0.220 4.746 4.527 -0.002 0.000 0.347 800 F C 1.043 176.786 175.800 -0.094 0.000 1.207 800 F CA -0.832 57.044 58.000 -0.207 0.000 1.306 800 F CB -1.182 37.722 39.000 -0.159 0.000 1.657 800 F HN -0.197 nan 8.300 nan 0.000 0.606 801 L N 3.328 124.556 121.223 0.009 0.000 2.506 801 L HA 0.243 4.582 4.340 -0.002 0.000 0.281 801 L C 0.517 177.517 176.870 0.215 0.000 1.228 801 L CA 0.332 55.249 54.840 0.128 0.000 0.850 801 L CB 0.439 42.570 42.059 0.120 0.000 1.110 801 L HN 0.565 nan 8.230 nan 0.000 0.496 802 R N 0.850 121.529 120.500 0.298 0.000 2.712 802 R HA 0.350 4.689 4.340 -0.002 0.000 0.272 802 R C -1.461 174.863 176.300 0.040 0.000 1.032 802 R CA -1.009 55.249 56.100 0.264 0.000 0.874 802 R CB 1.000 31.407 30.300 0.179 0.000 1.256 802 R HN 0.416 nan 8.270 nan 0.000 0.468 803 E N 1.571 121.705 120.200 -0.109 0.000 2.366 803 E HA 0.160 4.508 4.350 -0.002 0.000 0.266 803 E C -0.517 175.977 176.600 -0.177 0.000 1.015 803 E CA 0.323 56.466 56.400 -0.429 0.000 0.906 803 E CB 0.989 30.553 29.700 -0.227 0.000 0.979 803 E HN 0.579 nan 8.360 nan 0.000 0.443 804 S N 2.920 118.519 115.700 -0.169 0.000 2.632 804 S HA 0.458 4.927 4.470 -0.002 0.000 0.289 804 S C -0.683 173.925 174.600 0.013 0.000 1.115 804 S CA -1.151 57.061 58.200 0.020 0.000 0.889 804 S CB 2.135 65.356 63.200 0.035 0.000 1.116 804 S HN 0.359 nan 8.310 nan 0.000 0.486 805 K N 0.755 121.138 120.400 -0.029 0.000 2.159 805 K HA 0.478 4.797 4.320 -0.002 0.000 0.266 805 K C -1.338 175.168 176.600 -0.155 0.000 0.975 805 K CA -0.789 55.373 56.287 -0.208 0.000 0.865 805 K CB 1.151 33.221 32.500 -0.716 0.000 1.087 805 K HN 0.651 nan 8.250 nan 0.000 0.446 806 L N 5.283 126.445 121.223 -0.100 0.000 2.326 806 L HA 0.217 4.556 4.340 -0.002 0.000 0.278 806 L C 0.207 177.038 176.870 -0.065 0.000 1.092 806 L CA 0.368 55.178 54.840 -0.049 0.000 0.810 806 L CB 0.853 42.916 42.059 0.006 0.000 1.153 806 L HN 0.833 nan 8.230 nan 0.000 0.439 807 L N 2.558 123.749 121.223 -0.052 0.000 2.685 807 L HA 0.372 4.711 4.340 -0.002 0.000 0.235 807 L C -0.164 176.702 176.870 -0.006 0.000 1.070 807 L CA 0.432 55.239 54.840 -0.056 0.000 0.888 807 L CB 0.447 42.453 42.059 -0.088 0.000 1.203 807 L HN 0.822 nan 8.230 nan 0.000 0.499 808 S N -0.783 114.931 115.700 0.024 0.000 2.678 808 S HA 0.380 4.848 4.470 -0.002 0.000 0.290 808 S C -1.091 173.574 174.600 0.109 0.000 1.047 808 S CA -0.930 57.317 58.200 0.078 0.000 0.851 808 S CB 0.771 64.022 63.200 0.084 0.000 1.058 808 S HN -0.018 nan 8.310 nan 0.000 0.451 809 L N 1.910 123.219 121.223 0.144 0.000 2.454 809 L HA 0.709 5.048 4.340 -0.002 0.000 0.256 809 L C -0.354 176.665 176.870 0.249 0.000 1.136 809 L CA -1.069 53.865 54.840 0.157 0.000 0.804 809 L CB 0.762 42.829 42.059 0.012 0.000 1.181 809 L HN 0.686 nan 8.230 nan 0.000 0.469 810 I N 0.386 121.101 120.570 0.242 0.000 2.685 810 I HA 0.265 4.434 4.170 -0.002 0.000 0.289 810 I C -0.650 175.495 176.117 0.047 0.000 1.292 810 I CA -0.319 61.073 61.300 0.154 0.000 1.050 810 I CB 2.327 40.439 38.000 0.188 0.000 1.301 810 I HN 0.658 nan 8.210 nan 0.000 0.425 811 T N -0.250 114.173 114.554 -0.218 0.000 2.864 811 T HA 0.394 4.743 4.350 -0.002 0.000 0.289 811 T C 0.644 174.827 174.700 -0.862 0.000 1.082 811 T CA -0.578 61.259 62.100 -0.439 0.000 1.009 811 T CB 2.595 71.431 68.868 -0.054 0.000 1.234 811 T HN 0.555 nan 8.240 nan 0.000 0.526 812 E N 1.210 120.979 120.200 -0.717 0.000 2.045 812 E HA -0.265 4.084 4.350 -0.002 0.000 0.212 812 E C 1.776 178.212 176.600 -0.274 0.000 1.039 812 E CA 2.702 58.864 56.400 -0.397 0.000 0.860 812 E CB -0.308 29.343 29.700 -0.081 0.000 0.776 812 E HN 0.868 nan 8.360 nan 0.000 0.467 813 E N -1.451 118.642 120.200 -0.179 0.000 2.318 813 E HA 0.083 4.432 4.350 -0.002 0.000 0.193 813 E C -0.029 176.464 176.600 -0.179 0.000 0.998 813 E CA 0.771 57.085 56.400 -0.143 0.000 0.859 813 E CB 0.378 30.025 29.700 -0.088 0.000 0.812 813 E HN 0.031 nan 8.360 nan 0.000 0.492 814 T N 0.851 115.280 114.554 -0.209 0.000 2.912 814 T HA 0.414 4.763 4.350 -0.002 0.000 0.299 814 T C -0.941 173.573 174.700 -0.309 0.000 1.052 814 T CA -0.702 61.214 62.100 -0.306 0.000 0.996 814 T CB 2.652 71.248 68.868 -0.453 0.000 1.070 814 T HN -0.147 nan 8.240 nan 0.000 0.465 815 V N 3.346 123.053 119.914 -0.345 0.000 2.357 815 V HA 0.395 4.514 4.120 -0.002 0.000 0.284 815 V C -1.324 174.615 176.094 -0.260 0.000 1.018 815 V CA -0.864 61.324 62.300 -0.186 0.000 0.841 815 V CB 0.613 32.360 31.823 -0.126 0.000 0.991 815 V HN 0.821 nan 8.190 nan 0.000 0.437 816 Y N 2.981 123.267 120.300 -0.024 0.000 2.404 816 Y HA 0.507 5.056 4.550 -0.002 0.000 0.344 816 Y C 0.658 176.556 175.900 -0.005 0.000 0.970 816 Y CA -0.601 57.491 58.100 -0.013 0.000 1.180 816 Y CB 0.653 39.111 38.460 -0.003 0.000 1.138 816 Y HN 0.543 nan 8.280 nan 0.000 0.510 817 E N 1.512 121.770 120.200 0.096 0.000 2.222 817 E HA 0.650 4.999 4.350 -0.002 0.000 0.267 817 E C -0.320 176.309 176.600 0.048 0.000 0.963 817 E CA -0.906 55.529 56.400 0.058 0.000 0.837 817 E CB 2.309 32.023 29.700 0.023 0.000 1.183 817 E HN 0.828 nan 8.360 nan 0.000 0.403 818 G N -0.028 108.787 108.800 0.026 0.000 2.513 818 G HA2 0.533 4.492 3.960 -0.002 0.000 0.317 818 G HA3 0.533 4.492 3.960 -0.002 0.000 0.317 818 G C -0.909 173.989 174.900 -0.004 0.000 1.277 818 G CA -0.558 44.548 45.100 0.010 0.000 0.955 818 G HN 0.255 nan 8.290 nan 0.000 0.484 819 V N -0.145 119.765 119.914 -0.005 0.000 2.569 819 V HA 0.609 4.728 4.120 -0.002 0.000 0.301 819 V C -0.161 175.926 176.094 -0.012 0.000 1.044 819 V CA -1.589 60.705 62.300 -0.010 0.000 0.874 819 V CB 1.222 33.042 31.823 -0.005 0.000 1.002 819 V HN 1.004 nan 8.190 nan 0.000 0.424 820 K N 1.680 122.070 120.400 -0.018 0.000 2.401 820 K HA 0.452 4.771 4.320 -0.002 0.000 0.278 820 K C 0.318 176.912 176.600 -0.010 0.000 1.018 820 K CA 0.170 56.447 56.287 -0.017 0.000 0.981 820 K CB 1.263 33.751 32.500 -0.021 0.000 0.933 820 K HN 0.570 nan 8.250 nan 0.000 0.477 821 S N 1.893 117.589 115.700 -0.008 0.000 2.741 821 S HA 0.231 4.700 4.470 -0.002 0.000 0.247 821 S C 1.110 175.708 174.600 -0.004 0.000 1.050 821 S CA 0.060 58.257 58.200 -0.005 0.000 1.025 821 S CB -0.315 62.883 63.200 -0.004 0.000 0.897 821 S HN 1.043 nan 8.310 nan 0.000 0.508 822 G N 2.777 111.575 108.800 -0.004 0.000 4.674 822 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.322 822 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.322 822 G C 0.266 175.165 174.900 -0.001 0.000 1.649 822 G CA 0.711 45.810 45.100 -0.002 0.000 1.604 822 G HN 0.555 nan 8.290 nan 0.000 0.855 823 K N 1.903 122.303 120.400 -0.001 0.000 1.981 823 K HA 0.352 4.671 4.320 -0.002 0.000 0.220 823 K C 0.473 177.072 176.600 -0.002 0.000 1.176 823 K CA 0.617 56.903 56.287 -0.001 0.000 1.181 823 K CB -0.446 32.053 32.500 -0.001 0.000 1.218 823 K HN 0.542 nan 8.250 nan 0.000 0.260 824 L N -1.122 120.100 121.223 -0.001 0.000 8.098 824 L HA -0.270 4.068 4.340 -0.002 0.000 0.066 824 L C -0.037 176.830 176.870 -0.006 0.000 1.222 824 L CA 1.130 55.968 54.840 -0.002 0.000 1.321 824 L CB -1.554 40.503 42.059 -0.003 0.000 2.989 824 L HN 0.550 nan 8.230 nan 0.000 1.236 825 T N -1.658 112.891 114.554 -0.007 0.000 2.900 825 T HA 0.740 5.089 4.350 -0.002 0.000 0.295 825 T C -0.776 173.922 174.700 -0.004 0.000 1.044 825 T CA -0.886 61.209 62.100 -0.008 0.000 0.995 825 T CB 2.408 71.268 68.868 -0.012 0.000 1.072 825 T HN 0.566 nan 8.240 nan 0.000 0.473 826 K N 0.921 121.320 120.400 -0.002 0.000 2.267 826 K HA 0.703 5.022 4.320 -0.002 0.000 0.246 826 K C -1.241 175.366 176.600 0.011 0.000 0.954 826 K CA -0.961 55.328 56.287 0.003 0.000 0.824 826 K CB 1.582 34.083 32.500 0.000 0.000 1.167 826 K HN 0.455 nan 8.250 nan 0.000 0.431 827 V N 4.826 124.752 119.914 0.019 0.000 2.277 827 V HA 0.305 4.424 4.120 -0.002 0.000 0.269 827 V C -0.385 175.729 176.094 0.034 0.000 1.036 827 V CA -0.784 61.540 62.300 0.041 0.000 0.821 827 V CB 0.538 32.399 31.823 0.064 0.000 1.052 827 V HN 0.582 nan 8.190 nan 0.000 0.462 828 I N 4.220 124.803 120.570 0.021 0.000 2.372 828 I HA 0.125 4.294 4.170 -0.002 0.000 0.298 828 I C 1.221 177.318 176.117 -0.034 0.000 1.137 828 I CA 0.098 61.395 61.300 -0.006 0.000 1.314 828 I CB 0.090 38.084 38.000 -0.009 0.000 1.444 828 I HN 0.575 nan 8.210 nan 0.000 0.541 829 E N 6.349 126.511 120.200 -0.064 0.000 2.467 829 E HA 0.014 4.363 4.350 -0.002 0.000 0.321 829 E C 0.719 177.192 176.600 -0.212 0.000 1.388 829 E CA -0.181 56.107 56.400 -0.186 0.000 1.508 829 E CB 0.203 29.798 29.700 -0.174 0.000 1.250 829 E HN 0.418 nan 8.360 nan 0.000 0.500 830 R N 1.613 122.004 120.500 -0.181 0.000 2.611 830 R HA 0.213 4.552 4.340 -0.002 0.000 0.243 830 R C -0.512 175.674 176.300 -0.191 0.000 1.260 830 R CA -0.009 56.002 56.100 -0.148 0.000 1.095 830 R CB 0.557 30.796 30.300 -0.100 0.000 1.259 830 R HN -0.076 nan 8.270 nan 0.000 0.575 831 K N 0.807 121.113 120.400 -0.156 0.000 2.422 831 K HA 0.457 4.775 4.320 -0.002 0.000 0.251 831 K C -2.496 174.007 176.600 -0.162 0.000 0.933 831 K CA -1.917 54.272 56.287 -0.164 0.000 0.798 831 K CB 1.666 34.088 32.500 -0.130 0.000 1.238 831 K HN 0.430 nan 8.250 nan 0.000 0.428 832 P HA 0.032 nan 4.420 nan 0.000 0.271 832 P C -0.587 176.579 177.300 -0.224 0.000 1.220 832 P CA -0.257 62.711 63.100 -0.219 0.000 0.768 832 P CB 0.645 32.204 31.700 -0.235 0.000 0.848 833 Q N 1.345 120.964 119.800 -0.302 0.000 2.726 833 Q HA -0.068 4.271 4.340 -0.002 0.000 0.242 833 Q C 1.081 176.892 176.000 -0.314 0.000 1.130 833 Q CA 0.265 55.873 55.803 -0.324 0.000 1.031 833 Q CB 0.352 28.783 28.738 -0.512 0.000 1.326 833 Q HN 0.459 nan 8.270 nan 0.000 0.572 834 D N 0.168 120.469 120.400 -0.165 0.000 2.194 834 D HA -0.090 4.549 4.640 -0.002 0.000 0.204 834 D C 1.660 177.931 176.300 -0.049 0.000 0.964 834 D CA 0.967 54.922 54.000 -0.076 0.000 0.846 834 D CB 0.006 40.808 40.800 0.003 0.000 0.962 834 D HN 0.523 nan 8.370 nan 0.000 0.490 835 F N 1.327 121.283 119.950 0.010 0.000 2.365 835 F HA 0.082 4.608 4.527 -0.002 0.000 0.300 835 F C 1.885 177.699 175.800 0.024 0.000 1.090 835 F CA 0.592 58.601 58.000 0.015 0.000 1.408 835 F CB -0.606 38.402 39.000 0.014 0.000 1.060 835 F HN -0.171 nan 8.300 nan 0.000 0.534 836 E N 0.656 120.459 120.200 -0.663 0.000 2.072 836 E HA -0.154 4.195 4.350 -0.002 0.000 0.190 836 E C 2.165 178.695 176.600 -0.116 0.000 0.982 836 E CA 0.875 57.059 56.400 -0.359 0.000 0.803 836 E CB -0.188 29.226 29.700 -0.477 0.000 0.755 836 E HN 0.371 nan 8.360 nan 0.000 0.453 837 R N 1.831 122.252 120.500 -0.131 0.000 2.091 837 R HA -0.160 4.179 4.340 -0.002 0.000 0.238 837 R C 2.150 178.489 176.300 0.066 0.000 1.136 837 R CA 1.691 57.767 56.100 -0.040 0.000 0.959 837 R CB -0.031 30.236 30.300 -0.055 0.000 0.856 837 R HN -0.058 nan 8.270 nan 0.000 0.437 838 K N 0.368 120.796 120.400 0.047 0.000 1.973 838 K HA -0.202 4.117 4.320 -0.002 0.000 0.210 838 K C 2.023 178.670 176.600 0.079 0.000 1.045 838 K CA 1.880 58.209 56.287 0.071 0.000 0.937 838 K CB -0.274 32.273 32.500 0.079 0.000 0.721 838 K HN 0.290 nan 8.250 nan 0.000 0.438 839 E N -0.162 120.089 120.200 0.085 0.000 2.070 839 E HA -0.246 4.103 4.350 -0.002 0.000 0.197 839 E C 1.981 178.590 176.600 0.016 0.000 1.004 839 E CA 1.637 58.063 56.400 0.042 0.000 0.805 839 E CB -0.271 29.463 29.700 0.056 0.000 0.744 839 E HN 0.365 nan 8.360 nan 0.000 0.451 840 F N 1.687 121.586 119.950 -0.086 0.000 2.091 840 F HA -0.274 4.252 4.527 -0.002 0.000 0.299 840 F C 2.348 178.119 175.800 -0.050 0.000 1.103 840 F CA 1.631 59.585 58.000 -0.078 0.000 1.228 840 F CB -0.035 38.938 39.000 -0.045 0.000 0.984 840 F HN -0.053 nan 8.300 nan 0.000 0.477 841 R N 0.689 121.255 120.500 0.110 0.000 2.080 841 R HA -0.207 4.131 4.340 -0.002 0.000 0.236 841 R C 2.135 178.372 176.300 -0.105 0.000 1.137 841 R CA 1.974 58.069 56.100 -0.008 0.000 0.943 841 R CB -1.197 29.143 30.300 0.067 0.000 0.846 841 R HN 0.426 nan 8.270 nan 0.000 0.431 842 E N 0.331 120.492 120.200 -0.066 0.000 2.033 842 E HA -0.182 4.167 4.350 -0.002 0.000 0.199 842 E C 1.990 178.515 176.600 -0.125 0.000 1.011 842 E CA 1.180 57.536 56.400 -0.073 0.000 0.815 842 E CB -0.152 29.521 29.700 -0.046 0.000 0.755 842 E HN -0.017 nan 8.360 nan 0.000 0.451 843 L N 1.136 122.247 121.223 -0.185 0.000 2.042 843 L HA -0.201 4.138 4.340 -0.002 0.000 0.210 843 L C 2.139 178.875 176.870 -0.224 0.000 1.076 843 L CA 1.716 56.424 54.840 -0.219 0.000 0.749 843 L CB -0.676 41.194 42.059 -0.315 0.000 0.893 843 L HN 0.030 nan 8.230 nan 0.000 0.432 844 K N -1.087 119.100 120.400 -0.355 0.000 2.032 844 K HA -0.291 4.027 4.320 -0.002 0.000 0.218 844 K C 2.203 178.714 176.600 -0.148 0.000 1.054 844 K CA 2.433 58.525 56.287 -0.326 0.000 0.941 844 K CB -0.276 31.962 32.500 -0.436 0.000 0.720 844 K HN 0.162 nan 8.250 nan 0.000 0.449 845 M N -0.197 119.333 119.600 -0.117 0.000 2.065 845 M HA -0.218 4.261 4.480 -0.002 0.000 0.259 845 M C 2.047 178.326 176.300 -0.035 0.000 1.071 845 M CA 2.125 57.391 55.300 -0.058 0.000 1.109 845 M CB -0.266 32.304 32.600 -0.050 0.000 1.313 845 M HN 0.199 nan 8.290 nan 0.000 0.408 846 T N 1.042 115.568 114.554 -0.048 0.000 2.684 846 T HA -0.146 4.203 4.350 -0.002 0.000 0.267 846 T C 1.673 176.372 174.700 -0.003 0.000 1.036 846 T CA 1.640 63.722 62.100 -0.031 0.000 1.148 846 T CB -0.387 68.453 68.868 -0.048 0.000 0.863 846 T HN 0.335 nan 8.240 nan 0.000 0.436 847 L N 0.601 121.837 121.223 0.022 0.000 1.994 847 L HA -0.097 4.242 4.340 -0.002 0.000 0.208 847 L C 2.752 179.772 176.870 0.248 0.000 1.071 847 L CA 1.476 56.402 54.840 0.143 0.000 0.745 847 L CB -0.575 41.609 42.059 0.207 0.000 0.892 847 L HN 0.212 nan 8.230 nan 0.000 0.431 848 K N -0.090 120.396 120.400 0.143 0.000 2.044 848 K HA -0.264 4.055 4.320 -0.002 0.000 0.210 848 K C 2.402 179.074 176.600 0.121 0.000 1.049 848 K CA 2.081 58.443 56.287 0.124 0.000 0.927 848 K CB -0.158 32.366 32.500 0.040 0.000 0.713 848 K HN 0.157 nan 8.250 nan 0.000 0.443 849 S N 0.588 116.327 115.700 0.066 0.000 2.382 849 S HA -0.128 4.341 4.470 -0.002 0.000 0.228 849 S C 1.813 176.431 174.600 0.030 0.000 1.027 849 S CA 1.237 59.461 58.200 0.039 0.000 0.991 849 S CB -0.296 62.913 63.200 0.015 0.000 0.823 849 S HN 0.379 nan 8.310 nan 0.000 0.469 850 N N -0.684 118.021 118.700 0.008 0.000 2.142 850 N HA -0.079 4.660 4.740 -0.002 0.000 0.186 850 N C 1.536 176.989 175.510 -0.094 0.000 1.023 850 N CA 1.362 54.366 53.050 -0.078 0.000 0.852 850 N CB -0.284 38.107 38.487 -0.159 0.000 0.998 850 N HN 0.526 nan 8.380 nan 0.000 0.424 851 Y N 1.424 121.741 120.300 0.030 0.000 2.193 851 Y HA -0.274 4.275 4.550 -0.002 0.000 0.285 851 Y C 2.743 178.658 175.900 0.025 0.000 1.166 851 Y CA 1.879 60.007 58.100 0.046 0.000 1.181 851 Y CB -0.085 38.409 38.460 0.058 0.000 0.976 851 Y HN 0.334 nan 8.280 nan 0.000 0.520 852 Q N 0.309 120.188 119.800 0.132 0.000 2.061 852 Q HA -0.083 4.256 4.340 -0.002 0.000 0.195 852 Q C 2.128 178.144 176.000 0.027 0.000 0.967 852 Q CA 1.360 57.203 55.803 0.067 0.000 0.829 852 Q CB -0.670 28.092 28.738 0.040 0.000 0.900 852 Q HN 0.213 nan 8.270 nan 0.000 0.450 853 R N -0.337 120.171 120.500 0.013 0.000 2.083 853 R HA -0.104 4.234 4.340 -0.002 0.000 0.237 853 R C 1.582 177.862 176.300 -0.033 0.000 1.137 853 R CA 2.037 58.133 56.100 -0.007 0.000 0.951 853 R CB -0.479 29.815 30.300 -0.009 0.000 0.851 853 R HN 0.444 nan 8.270 nan 0.000 0.434 854 T N -0.570 113.956 114.554 -0.046 0.000 3.051 854 T HA 0.113 4.462 4.350 -0.002 0.000 0.255 854 T C 1.010 175.665 174.700 -0.075 0.000 1.085 854 T CA 0.751 62.802 62.100 -0.082 0.000 1.109 854 T CB 0.315 69.120 68.868 -0.106 0.000 0.921 854 T HN 0.210 nan 8.240 nan 0.000 0.488 855 K N -0.401 119.991 120.400 -0.015 0.000 2.585 855 K HA 0.480 4.798 4.320 -0.002 0.000 0.210 855 K C 0.579 177.235 176.600 0.093 0.000 1.294 855 K CA 0.408 56.722 56.287 0.046 0.000 1.025 855 K CB 1.069 33.641 32.500 0.119 0.000 1.076 855 K HN 0.074 nan 8.250 nan 0.000 0.613 856 A N 1.362 124.212 122.820 0.051 0.000 2.798 856 A HA -0.210 4.108 4.320 -0.002 0.000 0.282 856 A C 0.041 177.678 177.584 0.089 0.000 1.464 856 A CA 0.797 52.861 52.037 0.045 0.000 0.844 856 A CB -2.254 16.757 19.000 0.018 0.000 1.006 856 A HN 0.330 nan 8.150 nan 0.000 0.577 857 I N -0.372 120.287 120.570 0.148 0.000 2.304 857 I HA 0.358 4.527 4.170 -0.002 0.000 0.291 857 I C 0.008 176.154 176.117 0.050 0.000 1.018 857 I CA -0.761 60.626 61.300 0.145 0.000 1.260 857 I CB 1.285 39.463 38.000 0.298 0.000 1.390 857 I HN 0.238 nan 8.210 nan 0.000 0.475 858 L N 8.111 129.283 121.223 -0.084 0.000 2.270 858 L HA 0.361 4.700 4.340 -0.002 0.000 0.286 858 L C -0.224 176.594 176.870 -0.087 0.000 1.059 858 L CA 0.002 54.773 54.840 -0.115 0.000 0.839 858 L CB 0.556 42.443 42.059 -0.287 0.000 1.221 858 L HN 0.423 nan 8.230 nan 0.000 0.431 859 L N 3.711 124.893 121.223 -0.068 0.000 2.367 859 L HA 0.125 4.464 4.340 -0.002 0.000 0.275 859 L C 1.401 178.245 176.870 -0.044 0.000 1.129 859 L CA -0.371 54.413 54.840 -0.093 0.000 0.839 859 L CB 0.417 42.404 42.059 -0.119 0.000 1.133 859 L HN 0.573 nan 8.230 nan 0.000 0.453 860 D N 1.776 122.148 120.400 -0.046 0.000 2.321 860 D HA -0.219 4.420 4.640 -0.002 0.000 0.194 860 D C 0.270 176.569 176.300 -0.001 0.000 1.013 860 D CA 1.878 55.870 54.000 -0.013 0.000 0.863 860 D CB 0.204 40.989 40.800 -0.026 0.000 1.011 860 D HN 0.782 nan 8.370 nan 0.000 0.457 861 D N -2.441 117.955 120.400 -0.006 0.000 2.474 861 D HA 0.095 4.734 4.640 -0.002 0.000 0.199 861 D C -1.456 174.852 176.300 0.013 0.000 1.151 861 D CA -0.429 53.575 54.000 0.007 0.000 0.785 861 D CB 0.263 41.078 40.800 0.025 0.000 2.567 861 D HN -0.135 nan 8.370 nan 0.000 0.491 862 I N 3.831 124.400 120.570 -0.001 0.000 2.389 862 I HA 0.125 4.294 4.170 -0.002 0.000 0.295 862 I C 1.828 177.999 176.117 0.089 0.000 1.117 862 I CA 0.243 61.549 61.300 0.010 0.000 1.317 862 I CB 0.795 38.766 38.000 -0.048 0.000 1.431 862 I HN 0.511 nan 8.210 nan 0.000 0.521 863 S N 4.709 120.487 115.700 0.129 0.000 2.355 863 S HA 0.132 4.601 4.470 -0.002 0.000 0.222 863 S C 0.909 175.666 174.600 0.262 0.000 1.031 863 S CA 0.446 58.760 58.200 0.190 0.000 0.993 863 S CB 0.033 63.346 63.200 0.189 0.000 0.859 863 S HN 0.636 nan 8.310 nan 0.000 0.453 864 A N 0.730 123.689 122.820 0.232 0.000 2.398 864 A HA 0.723 5.042 4.320 -0.002 0.000 0.301 864 A C -0.707 177.028 177.584 0.251 0.000 1.041 864 A CA -0.881 51.317 52.037 0.268 0.000 0.711 864 A CB 1.018 20.124 19.000 0.178 0.000 1.240 864 A HN 0.405 nan 8.150 nan 0.000 0.420 865 L N 1.515 122.945 121.223 0.344 0.000 2.379 865 L HA 0.703 5.042 4.340 -0.002 0.000 0.269 865 L C 0.658 177.687 176.870 0.265 0.000 1.084 865 L CA -0.481 54.531 54.840 0.287 0.000 0.802 865 L CB 1.654 43.910 42.059 0.328 0.000 1.175 865 L HN 0.801 nan 8.230 nan 0.000 0.448 866 A N 2.427 125.392 122.820 0.241 0.000 2.318 866 A HA 0.458 4.777 4.320 -0.002 0.000 0.324 866 A C -0.643 177.021 177.584 0.134 0.000 1.170 866 A CA -0.633 51.512 52.037 0.181 0.000 0.810 866 A CB 1.100 20.194 19.000 0.156 0.000 1.198 866 A HN 0.638 nan 8.150 nan 0.000 0.484 867 K N 2.802 123.216 120.400 0.023 0.000 2.292 867 K HA 0.511 4.830 4.320 -0.002 0.000 0.270 867 K C -0.566 175.940 176.600 -0.157 0.000 1.062 867 K CA -0.193 55.954 56.287 -0.234 0.000 0.916 867 K CB 0.629 32.972 32.500 -0.260 0.000 1.166 867 K HN 0.711 nan 8.250 nan 0.000 0.458 868 V N 0.963 120.802 119.914 -0.125 0.000 3.158 868 V HA 0.742 4.861 4.120 -0.002 0.000 0.315 868 V C -0.516 175.542 176.094 -0.060 0.000 1.148 868 V CA -0.876 61.398 62.300 -0.044 0.000 1.042 868 V CB 1.741 33.613 31.823 0.081 0.000 1.101 868 V HN 0.356 nan 8.190 nan 0.000 0.448 869 V N -1.657 118.234 119.914 -0.038 0.000 2.638 869 V HA 0.773 4.892 4.120 -0.002 0.000 0.306 869 V C -2.826 173.350 176.094 0.136 0.000 1.052 869 V CA -2.098 60.213 62.300 0.017 0.000 0.885 869 V CB 1.490 33.298 31.823 -0.026 0.000 0.999 869 V HN 0.898 nan 8.190 nan 0.000 0.424 870 P HA 0.346 nan 4.420 nan 0.000 0.282 870 P C -0.251 177.128 177.300 0.132 0.000 1.249 870 P CA -0.331 62.856 63.100 0.144 0.000 0.806 870 P CB 1.626 33.389 31.700 0.105 0.000 0.984 871 V N 3.333 123.205 119.914 -0.070 0.000 2.585 871 V HA 0.036 4.155 4.120 -0.002 0.000 0.296 871 V C 1.274 177.097 176.094 -0.452 0.000 1.035 871 V CA 0.431 62.389 62.300 -0.569 0.000 1.084 871 V CB -0.519 30.737 31.823 -0.945 0.000 0.953 871 V HN 0.726 nan 8.190 nan 0.000 0.483 872 N N 2.815 121.273 118.700 -0.403 0.000 2.497 872 N HA 0.481 5.219 4.740 -0.002 0.000 0.284 872 N C -0.086 175.378 175.510 -0.077 0.000 1.459 872 N CA 0.305 53.271 53.050 -0.140 0.000 0.899 872 N CB 1.280 39.740 38.487 -0.044 0.000 1.316 872 N HN 0.974 nan 8.380 nan 0.000 0.500 873 G N -0.443 108.242 108.800 -0.192 0.000 2.347 873 G HA2 0.127 4.086 3.960 -0.002 0.000 0.341 873 G HA3 0.127 4.086 3.960 -0.002 0.000 0.341 873 G C -1.873 172.985 174.900 -0.070 0.000 1.287 873 G CA -1.003 44.136 45.100 0.065 0.000 0.984 873 G HN 0.161 nan 8.290 nan 0.000 0.526 874 L N -0.633 120.622 121.223 0.053 0.000 2.358 874 L HA 0.886 5.225 4.340 -0.002 0.000 0.268 874 L C -0.038 176.915 176.870 0.138 0.000 1.032 874 L CA -1.232 53.653 54.840 0.075 0.000 0.805 874 L CB 1.720 43.864 42.059 0.141 0.000 1.253 874 L HN 0.639 nan 8.230 nan 0.000 0.452 875 V N 2.062 122.066 119.914 0.151 0.000 2.733 875 V HA 0.373 4.492 4.120 -0.002 0.000 0.306 875 V C -0.472 175.540 176.094 -0.137 0.000 1.084 875 V CA -0.626 61.715 62.300 0.068 0.000 0.905 875 V CB 2.343 34.166 31.823 0.000 0.000 1.010 875 V HN 0.752 nan 8.190 nan 0.000 0.424 876 R N 4.680 124.932 120.500 -0.413 0.000 2.442 876 R HA 0.287 4.626 4.340 -0.002 0.000 0.291 876 R C -0.211 175.840 176.300 -0.415 0.000 1.069 876 R CA -0.190 55.343 56.100 -0.945 0.000 1.022 876 R CB 0.444 30.235 30.300 -0.849 0.000 0.976 876 R HN 0.777 nan 8.270 nan 0.000 0.443 877 N N 0.575 119.058 118.700 -0.361 0.000 2.508 877 N HA -0.004 4.735 4.740 -0.002 0.000 0.285 877 N C 1.044 176.473 175.510 -0.135 0.000 1.144 877 N CA 0.015 52.959 53.050 -0.177 0.000 0.978 877 N CB 1.674 40.086 38.487 -0.125 0.000 1.180 877 N HN 0.626 nan 8.380 nan 0.000 0.484 878 S N 0.126 115.778 115.700 -0.081 0.000 2.432 878 S HA -0.269 4.200 4.470 -0.002 0.000 0.243 878 S C 0.914 175.486 174.600 -0.046 0.000 1.069 878 S CA 1.820 59.989 58.200 -0.052 0.000 1.047 878 S CB -0.310 62.870 63.200 -0.032 0.000 0.854 878 S HN 0.823 nan 8.310 nan 0.000 0.474 879 D N -0.029 120.340 120.400 -0.052 0.000 2.368 879 D HA 0.269 4.908 4.640 -0.002 0.000 0.218 879 D C 1.281 177.555 176.300 -0.043 0.000 1.112 879 D CA 0.532 54.510 54.000 -0.037 0.000 0.834 879 D CB -0.023 40.761 40.800 -0.026 0.000 0.953 879 D HN 0.609 nan 8.370 nan 0.000 0.505 880 G N 1.104 109.857 108.800 -0.080 0.000 2.195 880 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.246 880 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.246 880 G C 0.432 175.283 174.900 -0.082 0.000 0.984 880 G CA 0.389 45.444 45.100 -0.075 0.000 0.633 880 G HN 0.724 nan 8.290 nan 0.000 0.525 881 S N -0.485 115.163 115.700 -0.087 0.000 2.603 881 S HA 0.705 5.174 4.470 -0.002 0.000 0.268 881 S C -0.398 174.122 174.600 -0.133 0.000 1.317 881 S CA -0.437 57.741 58.200 -0.036 0.000 1.012 881 S CB 1.543 64.734 63.200 -0.015 0.000 0.926 881 S HN 0.446 nan 8.310 nan 0.000 0.539 882 Y N 0.595 120.876 120.300 -0.031 0.000 2.376 882 Y HA 0.576 5.125 4.550 -0.002 0.000 0.340 882 Y C 0.544 176.426 175.900 -0.030 0.000 0.965 882 Y CA -0.218 57.862 58.100 -0.034 0.000 1.078 882 Y CB 2.351 40.783 38.460 -0.045 0.000 1.193 882 Y HN 1.069 nan 8.280 nan 0.000 0.452 883 S N 1.275 117.030 115.700 0.091 0.000 2.685 883 S HA 0.575 5.044 4.470 -0.002 0.000 0.282 883 S C -1.485 173.093 174.600 -0.036 0.000 1.159 883 S CA -1.569 56.652 58.200 0.035 0.000 0.833 883 S CB 1.534 64.749 63.200 0.027 0.000 1.151 883 S HN 0.476 nan 8.310 nan 0.000 0.485 884 K N 1.349 121.681 120.400 -0.113 0.000 2.451 884 K HA 0.327 4.645 4.320 -0.002 0.000 0.280 884 K C 0.066 176.368 176.600 -0.497 0.000 1.020 884 K CA 0.009 56.063 56.287 -0.389 0.000 1.008 884 K CB 0.660 32.839 32.500 -0.535 0.000 0.917 884 K HN 0.573 nan 8.250 nan 0.000 0.478 885 S N 3.214 118.590 115.700 -0.539 0.000 2.565 885 S HA 0.569 5.038 4.470 -0.002 0.000 0.290 885 S C -0.804 173.414 174.600 -0.636 0.000 1.150 885 S CA -0.781 57.191 58.200 -0.379 0.000 1.058 885 S CB 0.354 63.457 63.200 -0.161 0.000 1.032 885 S HN 0.371 nan 8.310 nan 0.000 0.510 886 F N 2.166 122.069 119.950 -0.078 0.000 2.575 886 F HA 0.474 5.000 4.527 -0.002 0.000 0.330 886 F C 0.826 176.596 175.800 -0.050 0.000 1.056 886 F CA -1.038 56.914 58.000 -0.080 0.000 0.964 886 F CB 1.315 40.271 39.000 -0.074 0.000 1.258 886 F HN 0.539 nan 8.300 nan 0.000 0.484 887 N N 1.069 119.869 118.700 0.168 0.000 2.499 887 N HA 0.074 4.813 4.740 -0.002 0.000 0.281 887 N C 0.493 176.051 175.510 0.079 0.000 1.098 887 N CA -0.004 53.098 53.050 0.086 0.000 0.979 887 N CB 1.163 39.690 38.487 0.066 0.000 1.121 887 N HN 0.749 nan 8.380 nan 0.000 0.466 888 E N 0.635 120.865 120.200 0.050 0.000 2.150 888 E HA -0.064 4.284 4.350 -0.002 0.000 0.193 888 E C 0.029 176.639 176.600 0.017 0.000 0.985 888 E CA 0.850 57.268 56.400 0.031 0.000 0.814 888 E CB 0.086 29.800 29.700 0.024 0.000 0.752 888 E HN 0.594 nan 8.360 nan 0.000 0.466 889 T N 1.744 116.310 114.554 0.020 0.000 2.888 889 T HA 0.140 4.489 4.350 -0.002 0.000 0.301 889 T C 0.385 175.081 174.700 -0.006 0.000 1.001 889 T CA 0.087 62.194 62.100 0.012 0.000 1.147 889 T CB 0.825 69.704 68.868 0.019 0.000 0.931 889 T HN -0.021 nan 8.240 nan 0.000 0.541 890 I N 2.882 123.434 120.570 -0.030 0.000 2.519 890 I HA 0.233 4.402 4.170 -0.002 0.000 0.287 890 I C 0.716 176.751 176.117 -0.137 0.000 1.047 890 I CA -0.112 61.122 61.300 -0.111 0.000 1.381 890 I CB 0.811 38.721 38.000 -0.149 0.000 1.417 890 I HN 0.638 nan 8.210 nan 0.000 0.540 891 E N 4.850 124.914 120.200 -0.225 0.000 2.288 891 E HA 0.419 4.768 4.350 -0.002 0.000 0.268 891 E C -1.723 174.615 176.600 -0.437 0.000 0.885 891 E CA -0.759 55.498 56.400 -0.238 0.000 0.767 891 E CB 2.347 31.957 29.700 -0.151 0.000 1.220 891 E HN 0.324 nan 8.360 nan 0.000 0.427 892 Y N 0.648 120.752 120.300 -0.326 0.000 2.446 892 Y HA 0.470 5.018 4.550 -0.002 0.000 0.338 892 Y C -0.735 174.848 175.900 -0.528 0.000 1.055 892 Y CA -0.518 57.432 58.100 -0.249 0.000 1.101 892 Y CB 1.315 39.715 38.460 -0.101 0.000 1.221 892 Y HN 0.436 nan 8.280 nan 0.000 0.460 893 Y N 1.555 121.997 120.300 0.237 0.000 2.504 893 Y HA 0.381 4.930 4.550 -0.002 0.000 0.344 893 Y C -2.550 173.423 175.900 0.121 0.000 1.023 893 Y CA -2.787 55.423 58.100 0.183 0.000 1.020 893 Y CB 2.140 40.683 38.460 0.138 0.000 1.282 893 Y HN 0.403 nan 8.280 nan 0.000 0.454 894 P HA -0.051 nan 4.420 nan 0.000 0.265 894 P C 0.604 177.948 177.300 0.073 0.000 1.193 894 P CA 0.082 63.232 63.100 0.082 0.000 0.765 894 P CB 0.819 32.482 31.700 -0.061 0.000 0.823 895 L N 3.975 125.242 121.223 0.074 0.000 2.131 895 L HA -0.222 4.117 4.340 -0.002 0.000 0.210 895 L C 2.084 178.934 176.870 -0.034 0.000 1.092 895 L CA 1.677 56.551 54.840 0.056 0.000 0.759 895 L CB -1.131 40.983 42.059 0.091 0.000 0.903 895 L HN 0.387 nan 8.230 nan 0.000 0.435 896 Q N -0.412 119.331 119.800 -0.096 0.000 2.439 896 Q HA -0.198 4.141 4.340 -0.002 0.000 0.211 896 Q C 1.688 177.523 176.000 -0.274 0.000 0.978 896 Q CA 1.612 57.286 55.803 -0.215 0.000 0.897 896 Q CB -0.562 28.017 28.738 -0.265 0.000 0.956 896 Q HN 0.628 nan 8.270 nan 0.000 0.483 897 L N 0.544 121.636 121.223 -0.218 0.000 2.607 897 L HA 0.200 4.539 4.340 -0.002 0.000 0.228 897 L C 0.292 177.059 176.870 -0.171 0.000 1.123 897 L CA -0.355 54.326 54.840 -0.265 0.000 0.890 897 L CB 0.328 42.282 42.059 -0.175 0.000 1.103 897 L HN 0.105 nan 8.230 nan 0.000 0.468 898 I N 0.573 121.073 120.570 -0.116 0.000 2.428 898 I HA 0.144 4.313 4.170 -0.002 0.000 0.289 898 I C 0.248 176.321 176.117 -0.074 0.000 1.019 898 I CA -0.176 61.080 61.300 -0.074 0.000 1.351 898 I CB 1.485 39.460 38.000 -0.041 0.000 1.412 898 I HN -0.318 nan 8.210 nan 0.000 0.513 899 V N 7.316 127.227 119.914 -0.005 0.000 2.547 899 V HA 0.285 4.404 4.120 -0.002 0.000 0.299 899 V C 1.093 177.206 176.094 0.032 0.000 1.040 899 V CA -0.534 61.770 62.300 0.005 0.000 0.913 899 V CB 1.760 33.613 31.823 0.049 0.000 0.992 899 V HN 0.747 nan 8.190 nan 0.000 0.449 900 E N 1.641 121.831 120.200 -0.017 0.000 2.042 900 E HA 0.001 4.350 4.350 -0.002 0.000 0.189 900 E C -0.044 176.618 176.600 0.102 0.000 0.974 900 E CA 0.827 57.202 56.400 -0.042 0.000 0.806 900 E CB 0.282 29.964 29.700 -0.030 0.000 0.769 900 E HN 0.740 nan 8.360 nan 0.000 0.451 901 D N -1.197 119.227 120.400 0.040 0.000 2.758 901 D HA 0.457 5.096 4.640 -0.002 0.000 0.279 901 D C -1.612 174.529 176.300 -0.265 0.000 1.111 901 D CA -0.846 53.150 54.000 -0.008 0.000 1.109 901 D CB 2.353 43.184 40.800 0.052 0.000 1.428 901 D HN -0.189 nan 8.370 nan 0.000 0.586 902 V N 1.323 121.054 119.914 -0.306 0.000 2.924 902 V HA 0.203 4.321 4.120 -0.002 0.000 0.300 902 V C 0.713 176.699 176.094 -0.180 0.000 1.227 902 V CA -0.603 61.460 62.300 -0.395 0.000 0.954 902 V CB 2.144 33.416 31.823 -0.917 0.000 1.055 902 V HN 0.580 nan 8.190 nan 0.000 0.429 903 K N 2.459 122.784 120.400 -0.125 0.000 2.062 903 K HA 0.170 4.489 4.320 -0.002 0.000 0.205 903 K C 0.601 177.173 176.600 -0.047 0.000 1.051 903 K CA 0.982 57.230 56.287 -0.066 0.000 0.941 903 K CB 0.192 32.660 32.500 -0.054 0.000 0.719 903 K HN 0.670 nan 8.250 nan 0.000 0.440 904 N N 1.629 120.301 118.700 -0.047 0.000 2.392 904 N HA 0.123 4.862 4.740 -0.002 0.000 0.283 904 N C -1.220 174.289 175.510 -0.002 0.000 1.003 904 N CA -0.325 52.711 53.050 -0.022 0.000 0.892 904 N CB 1.680 40.155 38.487 -0.021 0.000 1.193 904 N HN -0.057 nan 8.380 nan 0.000 0.487 905 K N 0.843 121.256 120.400 0.020 0.000 2.138 905 K HA 0.186 4.504 4.320 -0.002 0.000 0.263 905 K C -0.475 176.147 176.600 0.037 0.000 0.965 905 K CA -0.712 55.617 56.287 0.069 0.000 0.868 905 K CB 1.658 34.219 32.500 0.102 0.000 1.083 905 K HN 0.425 nan 8.250 nan 0.000 0.443 906 D N 2.651 123.077 120.400 0.043 0.000 2.426 906 D HA -0.053 4.585 4.640 -0.002 0.000 0.261 906 D C 0.722 176.978 176.300 -0.073 0.000 1.245 906 D CA 0.602 54.561 54.000 -0.068 0.000 0.917 906 D CB 0.549 41.231 40.800 -0.197 0.000 1.123 906 D HN 0.427 nan 8.370 nan 0.000 0.508 907 E N 2.755 122.902 120.200 -0.088 0.000 2.153 907 E HA -0.193 4.156 4.350 -0.002 0.000 0.194 907 E C 1.823 178.361 176.600 -0.103 0.000 0.988 907 E CA 0.766 57.120 56.400 -0.076 0.000 0.811 907 E CB 0.237 29.888 29.700 -0.082 0.000 0.746 907 E HN 0.435 nan 8.360 nan 0.000 0.466 908 R N -0.418 119.963 120.500 -0.199 0.000 2.170 908 R HA -0.175 4.164 4.340 -0.002 0.000 0.242 908 R C 1.445 177.698 176.300 -0.079 0.000 1.145 908 R CA 1.391 57.354 56.100 -0.228 0.000 0.984 908 R CB -0.164 29.915 30.300 -0.369 0.000 0.869 908 R HN 0.413 nan 8.270 nan 0.000 0.455 909 Y N -0.220 120.048 120.300 -0.054 0.000 2.462 909 Y HA 0.215 4.764 4.550 -0.002 0.000 0.261 909 Y C 0.707 176.578 175.900 -0.048 0.000 1.146 909 Y CA -0.971 57.092 58.100 -0.062 0.000 1.283 909 Y CB 0.582 39.005 38.460 -0.063 0.000 1.090 909 Y HN -0.093 nan 8.280 nan 0.000 0.526 910 I N 2.599 123.233 120.570 0.107 0.000 2.752 910 I HA -0.120 4.049 4.170 -0.002 0.000 0.286 910 I C 0.257 176.398 176.117 0.041 0.000 1.180 910 I CA 0.658 61.993 61.300 0.058 0.000 1.404 910 I CB 0.167 38.179 38.000 0.021 0.000 1.389 910 I HN 0.194 nan 8.210 nan 0.000 0.549 911 E N 7.031 127.258 120.200 0.046 0.000 2.465 911 E HA 0.028 4.377 4.350 -0.002 0.000 0.260 911 E C -0.494 176.132 176.600 0.044 0.000 0.980 911 E CA 0.290 56.720 56.400 0.051 0.000 0.927 911 E CB 0.616 30.345 29.700 0.047 0.000 0.934 911 E HN 0.418 nan 8.360 nan 0.000 0.459 912 K N 2.789 123.230 120.400 0.069 0.000 2.164 912 K HA 0.223 4.542 4.320 -0.002 0.000 0.258 912 K C -0.204 176.439 176.600 0.071 0.000 0.951 912 K CA -0.882 55.434 56.287 0.048 0.000 0.844 912 K CB 1.327 33.831 32.500 0.008 0.000 1.099 912 K HN 0.330 nan 8.250 nan 0.000 0.435 913 E N 2.900 123.122 120.200 0.037 0.000 2.409 913 E HA 0.113 4.462 4.350 -0.002 0.000 0.257 913 E C -2.125 174.497 176.600 0.036 0.000 1.150 913 E CA -1.799 54.618 56.400 0.029 0.000 0.942 913 E CB 0.049 29.755 29.700 0.009 0.000 0.979 913 E HN 0.389 nan 8.360 nan 0.000 0.447 914 P HA 0.107 nan 4.420 nan 0.000 0.270 914 P C -0.488 176.810 177.300 -0.004 0.000 1.223 914 P CA 0.026 63.133 63.100 0.011 0.000 0.785 914 P CB 0.566 32.264 31.700 -0.003 0.000 0.923 915 L N 1.748 122.960 121.223 -0.019 0.000 2.283 915 L HA 0.576 4.915 4.340 -0.002 0.000 0.259 915 L C -2.210 174.630 176.870 -0.050 0.000 1.027 915 L CA -2.075 52.739 54.840 -0.044 0.000 0.828 915 L CB 1.039 43.051 42.059 -0.077 0.000 1.380 915 L HN 0.261 nan 8.230 nan 0.000 0.425 916 P HA 0.194 nan 4.420 nan 0.000 0.275 916 P C 0.795 178.037 177.300 -0.096 0.000 1.227 916 P CA -0.521 62.533 63.100 -0.076 0.000 0.781 916 P CB 0.387 32.033 31.700 -0.090 0.000 0.906 917 I N 2.323 122.847 120.570 -0.076 0.000 2.143 917 I HA -0.337 3.832 4.170 -0.002 0.000 0.245 917 I C 1.522 177.544 176.117 -0.159 0.000 1.068 917 I CA 2.369 63.656 61.300 -0.022 0.000 1.326 917 I CB -2.431 35.539 38.000 -0.050 0.000 1.028 917 I HN 0.507 nan 8.210 nan 0.000 0.412 918 N N 0.756 119.189 118.700 -0.445 0.000 2.453 918 N HA -0.140 4.599 4.740 -0.002 0.000 0.183 918 N C 1.578 177.021 175.510 -0.111 0.000 1.041 918 N CA 0.646 53.414 53.050 -0.469 0.000 0.900 918 N CB -0.055 38.132 38.487 -0.500 0.000 0.961 918 N HN 0.296 nan 8.380 nan 0.000 0.443 919 K N 0.901 121.229 120.400 -0.119 0.000 2.141 919 K HA -0.000 4.319 4.320 -0.002 0.000 0.202 919 K C 1.744 178.256 176.600 -0.146 0.000 1.045 919 K CA 0.707 56.935 56.287 -0.098 0.000 0.971 919 K CB -0.203 32.238 32.500 -0.099 0.000 0.795 919 K HN 0.362 nan 8.250 nan 0.000 0.459 920 E N -0.425 119.620 120.200 -0.257 0.000 2.208 920 E HA -0.042 4.307 4.350 -0.002 0.000 0.193 920 E C -0.491 175.653 176.600 -0.760 0.000 0.988 920 E CA 0.636 56.690 56.400 -0.577 0.000 0.828 920 E CB 0.271 29.477 29.700 -0.824 0.000 0.763 920 E HN 0.110 nan 8.360 nan 0.000 0.478 921 F N 1.184 121.180 119.950 0.078 0.000 2.769 921 F HA 0.330 4.856 4.527 -0.002 0.000 0.358 921 F C -2.321 173.599 175.800 0.199 0.000 1.285 921 F CA -2.480 55.600 58.000 0.133 0.000 1.199 921 F CB 1.331 40.438 39.000 0.177 0.000 1.558 921 F HN -0.157 nan 8.300 nan 0.000 0.583 922 P HA -0.103 nan 4.420 nan 0.000 0.264 922 P C -0.046 177.409 177.300 0.258 0.000 1.183 922 P CA -0.018 63.215 63.100 0.222 0.000 0.763 922 P CB 0.811 32.583 31.700 0.120 0.000 0.807 923 K N 2.334 122.909 120.400 0.292 0.000 2.511 923 K HA 0.048 4.367 4.320 -0.002 0.000 0.277 923 K C 1.309 177.966 176.600 0.095 0.000 1.025 923 K CA 1.343 57.724 56.287 0.155 0.000 1.112 923 K CB -0.806 31.791 32.500 0.163 0.000 0.859 923 K HN 0.817 nan 8.250 nan 0.000 0.485 924 G N 2.412 111.244 108.800 0.054 0.000 2.179 924 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.260 924 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.260 924 G C -0.062 174.881 174.900 0.072 0.000 0.977 924 G CA 0.440 45.572 45.100 0.054 0.000 0.641 924 G HN 0.802 nan 8.290 nan 0.000 0.533 925 S N -0.656 115.101 115.700 0.094 0.000 2.610 925 S HA 0.688 5.157 4.470 -0.002 0.000 0.273 925 S C -0.052 174.608 174.600 0.100 0.000 1.274 925 S CA -0.476 57.786 58.200 0.103 0.000 1.023 925 S CB 2.034 65.313 63.200 0.133 0.000 0.962 925 S HN 0.395 nan 8.310 nan 0.000 0.523 926 K N 1.305 121.763 120.400 0.096 0.000 2.234 926 K HA 0.554 4.873 4.320 -0.002 0.000 0.277 926 K C -0.033 176.634 176.600 0.111 0.000 1.038 926 K CA -0.688 55.658 56.287 0.097 0.000 0.888 926 K CB 1.345 33.901 32.500 0.093 0.000 1.091 926 K HN 0.611 nan 8.250 nan 0.000 0.467 927 V N -0.509 119.475 119.914 0.116 0.000 3.240 927 V HA 0.575 4.693 4.120 -0.002 0.000 0.306 927 V C -0.375 175.794 176.094 0.125 0.000 1.227 927 V CA -0.933 61.441 62.300 0.122 0.000 1.047 927 V CB 1.584 33.476 31.823 0.114 0.000 1.203 927 V HN 0.306 nan 8.190 nan 0.000 0.471 928 V N 1.002 120.979 119.914 0.105 0.000 2.384 928 V HA 0.391 4.510 4.120 -0.002 0.000 0.287 928 V C -0.597 175.553 176.094 0.093 0.000 1.020 928 V CA -0.123 62.236 62.300 0.099 0.000 0.850 928 V CB 1.007 32.858 31.823 0.046 0.000 0.987 928 V HN 0.728 nan 8.190 nan 0.000 0.436 929 F N 6.607 126.547 119.950 -0.016 0.000 2.413 929 F HA 0.546 5.072 4.527 -0.002 0.000 0.359 929 F C 0.108 175.900 175.800 -0.013 0.000 1.122 929 F CA -0.197 57.797 58.000 -0.010 0.000 1.160 929 F CB 0.220 39.231 39.000 0.019 0.000 1.146 929 F HN 0.351 nan 8.300 nan 0.000 0.514 930 L N 4.652 125.545 121.223 -0.549 0.000 2.642 930 L HA 0.766 5.105 4.340 -0.002 0.000 0.229 930 L C 0.826 177.277 176.870 -0.699 0.000 1.179 930 L CA -0.535 54.087 54.840 -0.364 0.000 0.834 930 L CB 0.024 41.982 42.059 -0.168 0.000 1.515 930 L HN 0.832 nan 8.230 nan 0.000 0.512 931 G N 0.027 108.704 108.800 -0.204 0.000 2.722 931 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.686 931 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.686 931 G C -0.075 174.859 174.900 0.057 0.000 1.282 931 G CA -0.234 44.716 45.100 -0.249 0.000 0.817 931 G HN 0.683 nan 8.290 nan 0.000 0.605 932 D N -0.089 120.450 120.400 0.231 0.000 2.097 932 D HA -0.126 4.512 4.640 -0.002 0.000 0.195 932 D C 1.997 178.501 176.300 0.340 0.000 0.989 932 D CA 2.012 56.156 54.000 0.241 0.000 0.827 932 D CB -0.126 40.792 40.800 0.197 0.000 0.966 932 D HN 0.549 nan 8.370 nan 0.000 0.456 933 Y N 1.391 121.892 120.300 0.336 0.000 2.002 933 Y HA -0.238 4.311 4.550 -0.002 0.000 0.268 933 Y C 0.546 176.595 175.900 0.249 0.000 1.177 933 Y CA 1.909 60.159 58.100 0.250 0.000 1.111 933 Y CB -0.315 38.239 38.460 0.156 0.000 0.952 933 Y HN -0.064 nan 8.280 nan 0.000 0.491 934 A N -0.892 122.030 122.820 0.170 0.000 2.943 934 A HA 0.273 4.591 4.320 -0.002 0.000 0.327 934 A C -1.513 176.272 177.584 0.334 0.000 1.141 934 A CA -0.515 51.544 52.037 0.036 0.000 0.773 934 A CB -1.083 17.735 19.000 -0.304 0.000 1.143 934 A HN 0.332 nan 8.150 nan 0.000 0.463 935 Y N 1.530 121.902 120.300 0.120 0.000 2.802 935 Y HA 0.251 4.800 4.550 -0.002 0.000 0.333 935 Y C 1.487 177.431 175.900 0.073 0.000 1.244 935 Y CA 1.795 59.932 58.100 0.061 0.000 1.558 935 Y CB 0.259 38.735 38.460 0.026 0.000 1.233 935 Y HN 1.417 nan 8.280 nan 0.000 0.547 936 G N 3.280 111.946 108.800 -0.222 0.000 2.159 936 G HA2 -0.235 3.723 3.960 -0.002 0.000 0.256 936 G HA3 -0.235 3.723 3.960 -0.002 0.000 0.256 936 G C 0.568 175.479 174.900 0.019 0.000 0.977 936 G CA 0.043 45.075 45.100 -0.113 0.000 0.652 936 G HN 1.236 nan 8.290 nan 0.000 0.531 937 G N -0.289 108.566 108.800 0.091 0.000 2.441 937 G HA2 0.445 4.404 3.960 -0.002 0.000 0.243 937 G HA3 0.445 4.404 3.960 -0.002 0.000 0.243 937 G C 0.027 174.971 174.900 0.073 0.000 1.281 937 G CA 0.253 45.374 45.100 0.035 0.000 0.854 937 G HN 0.495 nan 8.290 nan 0.000 0.560 938 E N 0.800 120.983 120.200 -0.029 0.000 2.166 938 E HA 0.426 4.775 4.350 -0.002 0.000 0.279 938 E C 0.093 176.732 176.600 0.066 0.000 1.095 938 E CA -0.404 56.053 56.400 0.095 0.000 0.888 938 E CB 0.388 30.167 29.700 0.131 0.000 1.041 938 E HN 0.513 nan 8.360 nan 0.000 0.414 939 A N 4.116 126.993 122.820 0.095 0.000 2.318 939 A HA 0.449 4.768 4.320 -0.002 0.000 0.324 939 A C -0.231 177.383 177.584 0.050 0.000 1.170 939 A CA -0.668 51.398 52.037 0.049 0.000 0.810 939 A CB 1.596 20.645 19.000 0.081 0.000 1.198 939 A HN 0.576 nan 8.150 nan 0.000 0.484 940 T N 1.525 116.092 114.554 0.021 0.000 2.909 940 T HA 0.463 4.812 4.350 -0.002 0.000 0.286 940 T C 0.184 174.882 174.700 -0.002 0.000 1.002 940 T CA -0.297 61.818 62.100 0.024 0.000 1.074 940 T CB 1.216 70.096 68.868 0.019 0.000 0.984 940 T HN 0.425 nan 8.240 nan 0.000 0.495 941 V N 2.710 122.627 119.914 0.006 0.000 2.546 941 V HA 0.231 4.350 4.120 -0.002 0.000 0.284 941 V C 0.383 176.422 176.094 -0.092 0.000 1.050 941 V CA -0.170 62.102 62.300 -0.047 0.000 0.981 941 V CB 1.459 33.289 31.823 0.011 0.000 0.990 941 V HN 0.875 nan 8.190 nan 0.000 0.474 942 D N 1.730 122.028 120.400 -0.171 0.000 2.470 942 D HA 0.399 5.038 4.640 -0.002 0.000 0.238 942 D C 0.679 176.827 176.300 -0.254 0.000 1.054 942 D CA 1.367 55.272 54.000 -0.158 0.000 0.896 942 D CB 1.298 42.028 40.800 -0.115 0.000 1.118 942 D HN 0.817 nan 8.370 nan 0.000 0.497 943 G N -0.903 107.602 108.800 -0.492 0.000 2.313 943 G HA2 0.331 4.290 3.960 -0.002 0.000 0.296 943 G HA3 0.331 4.290 3.960 -0.002 0.000 0.296 943 G C -2.104 172.314 174.900 -0.804 0.000 1.356 943 G CA -0.975 43.750 45.100 -0.626 0.000 0.833 943 G HN -0.041 nan 8.290 nan 0.000 0.552 944 Y N 0.393 120.709 120.300 0.027 0.000 2.350 944 Y HA 0.461 5.010 4.550 -0.002 0.000 0.338 944 Y C 0.851 176.762 175.900 0.019 0.000 0.961 944 Y CA -1.214 56.902 58.100 0.027 0.000 1.100 944 Y CB 2.124 40.609 38.460 0.041 0.000 1.179 944 Y HN 0.384 nan 8.280 nan 0.000 0.454 945 N N 1.554 120.319 118.700 0.109 0.000 2.362 945 N HA 0.084 4.823 4.740 -0.002 0.000 0.204 945 N C -0.244 175.312 175.510 0.076 0.000 1.166 945 N CA 0.231 53.321 53.050 0.066 0.000 0.831 945 N CB 0.730 39.236 38.487 0.031 0.000 1.008 945 N HN 0.607 nan 8.380 nan 0.000 0.472 946 S N -0.990 114.777 115.700 0.111 0.000 2.655 946 S HA -0.032 4.437 4.470 -0.002 0.000 0.275 946 S C -0.032 174.621 174.600 0.088 0.000 0.899 946 S CA -0.606 57.643 58.200 0.082 0.000 1.080 946 S CB -0.277 62.956 63.200 0.056 0.000 1.359 946 S HN 0.070 nan 8.310 nan 0.000 0.453 947 E N -0.048 120.181 120.200 0.049 0.000 2.267 947 E HA -0.102 4.247 4.350 -0.002 0.000 0.197 947 E C 1.200 177.828 176.600 0.046 0.000 0.998 947 E CA 1.769 58.187 56.400 0.029 0.000 0.830 947 E CB -0.063 29.646 29.700 0.015 0.000 0.751 947 E HN 0.675 nan 8.360 nan 0.000 0.491 948 T N -2.954 111.635 114.554 0.058 0.000 3.009 948 T HA 0.236 4.585 4.350 -0.002 0.000 0.267 948 T C 0.641 175.377 174.700 0.060 0.000 0.942 948 T CA -0.547 61.587 62.100 0.056 0.000 0.883 948 T CB 0.597 69.486 68.868 0.034 0.000 1.192 948 T HN -0.183 nan 8.240 nan 0.000 0.524 949 R N 1.528 122.071 120.500 0.071 0.000 2.711 949 R HA 0.813 5.152 4.340 -0.002 0.000 0.284 949 R C -0.871 175.489 176.300 0.100 0.000 0.968 949 R CA -0.773 55.363 56.100 0.060 0.000 0.924 949 R CB 2.394 32.716 30.300 0.036 0.000 1.162 949 R HN 0.496 nan 8.270 nan 0.000 0.465 950 L N -1.546 119.714 121.223 0.062 0.000 2.415 950 L HA 0.678 5.016 4.340 -0.002 0.000 0.256 950 L C -0.724 176.120 176.870 -0.043 0.000 1.010 950 L CA -1.128 53.734 54.840 0.037 0.000 0.826 950 L CB 2.338 44.449 42.059 0.086 0.000 1.405 950 L HN 0.474 nan 8.230 nan 0.000 0.410 951 K N 2.279 122.612 120.400 -0.112 0.000 2.206 951 K HA 0.791 5.110 4.320 -0.002 0.000 0.264 951 K C -1.379 175.148 176.600 -0.122 0.000 0.967 951 K CA -0.669 55.558 56.287 -0.100 0.000 0.844 951 K CB 1.870 34.315 32.500 -0.091 0.000 1.099 951 K HN 0.731 nan 8.250 nan 0.000 0.441 952 L N -1.118 120.050 121.223 -0.091 0.000 2.502 952 L HA 0.595 4.934 4.340 -0.002 0.000 0.253 952 L C -0.870 175.943 176.870 -0.095 0.000 1.070 952 L CA -0.786 54.001 54.840 -0.089 0.000 0.871 952 L CB 1.827 43.848 42.059 -0.064 0.000 1.487 952 L HN 0.514 nan 8.230 nan 0.000 0.408 953 T N 0.880 115.385 114.554 -0.082 0.000 2.809 953 T HA 0.665 5.014 4.350 -0.002 0.000 0.296 953 T C -0.809 173.839 174.700 -0.088 0.000 1.015 953 T CA -0.279 61.774 62.100 -0.079 0.000 0.954 953 T CB 1.030 69.870 68.868 -0.047 0.000 0.950 953 T HN 0.472 nan 8.240 nan 0.000 0.450 954 V N 5.613 125.447 119.914 -0.134 0.000 2.394 954 V HA 0.404 4.523 4.120 -0.002 0.000 0.282 954 V C 0.265 176.337 176.094 -0.037 0.000 1.031 954 V CA -0.798 61.403 62.300 -0.165 0.000 0.881 954 V CB 1.328 32.899 31.823 -0.419 0.000 0.982 954 V HN 0.692 nan 8.190 nan 0.000 0.451 955 K N 4.635 125.007 120.400 -0.048 0.000 2.156 955 K HA 0.523 4.842 4.320 -0.002 0.000 0.271 955 K C -0.510 176.025 176.600 -0.108 0.000 0.995 955 K CA -0.688 55.575 56.287 -0.040 0.000 0.890 955 K CB 1.408 33.887 32.500 -0.035 0.000 1.073 955 K HN 0.576 nan 8.250 nan 0.000 0.454 956 K N 0.908 121.230 120.400 -0.131 0.000 2.182 956 K HA 0.243 4.561 4.320 -0.002 0.000 0.262 956 K C 0.667 177.205 176.600 -0.104 0.000 0.957 956 K CA -0.708 55.472 56.287 -0.179 0.000 0.842 956 K CB 1.813 34.147 32.500 -0.277 0.000 1.099 956 K HN 0.804 nan 8.250 nan 0.000 0.438 957 G N 0.444 109.186 108.800 -0.097 0.000 2.887 957 G HA2 -0.051 3.907 3.960 -0.002 0.000 0.211 957 G HA3 -0.051 3.907 3.960 -0.002 0.000 0.211 957 G C 0.151 175.042 174.900 -0.015 0.000 1.152 957 G CA 0.107 45.173 45.100 -0.056 0.000 0.769 957 G HN 0.501 nan 8.290 nan 0.000 0.541 958 S N -0.826 114.867 115.700 -0.013 0.000 2.603 958 S HA 0.422 4.891 4.470 -0.002 0.000 0.274 958 S C 0.377 174.983 174.600 0.009 0.000 1.168 958 S CA -0.689 57.519 58.200 0.013 0.000 0.963 958 S CB 1.161 64.395 63.200 0.057 0.000 1.078 958 S HN -0.008 nan 8.310 nan 0.000 0.477 959 L N 3.031 124.259 121.223 0.010 0.000 2.477 959 L HA 0.376 4.715 4.340 -0.002 0.000 0.220 959 L C 1.516 178.405 176.870 0.033 0.000 1.106 959 L CA 0.160 55.008 54.840 0.014 0.000 0.851 959 L CB -0.011 42.056 42.059 0.012 0.000 0.994 959 L HN 0.561 nan 8.230 nan 0.000 0.462 960 R N 1.719 122.245 120.500 0.043 0.000 2.267 960 R HA 0.381 4.720 4.340 -0.002 0.000 0.319 960 R C 0.296 176.681 176.300 0.140 0.000 1.067 960 R CA -0.179 55.965 56.100 0.073 0.000 0.936 960 R CB 0.732 31.048 30.300 0.026 0.000 1.006 960 R HN 0.102 nan 8.270 nan 0.000 0.452 961 A N 3.953 126.845 122.820 0.119 0.000 2.615 961 A HA -0.110 4.209 4.320 -0.002 0.000 0.230 961 A C -0.027 177.647 177.584 0.151 0.000 1.062 961 A CA 0.179 52.282 52.037 0.111 0.000 0.758 961 A CB 0.095 19.142 19.000 0.079 0.000 0.995 961 A HN 0.816 nan 8.150 nan 0.000 0.511 962 E N 1.659 121.905 120.200 0.076 0.000 2.360 962 E HA 0.318 4.666 4.350 -0.002 0.000 0.269 962 E C -1.827 174.697 176.600 -0.126 0.000 1.022 962 E CA -1.056 55.347 56.400 0.005 0.000 0.887 962 E CB 0.329 30.033 29.700 0.007 0.000 0.990 962 E HN 0.500 nan 8.360 nan 0.000 0.426 963 P HA 0.023 nan 4.420 nan 0.000 0.270 963 P C -0.464 176.714 177.300 -0.203 0.000 1.227 963 P CA 0.160 62.991 63.100 -0.447 0.000 0.788 963 P CB 0.725 31.949 31.700 -0.794 0.000 0.926 964 N N -0.886 117.735 118.700 -0.132 0.000 2.168 964 N HA 0.039 4.778 4.740 -0.002 0.000 0.216 964 N C 1.455 176.934 175.510 -0.052 0.000 1.259 964 N CA -0.022 52.987 53.050 -0.068 0.000 0.902 964 N CB -0.248 38.215 38.487 -0.040 0.000 1.079 964 N HN 0.211 nan 8.380 nan 0.000 0.507 965 I N 0.103 120.637 120.570 -0.059 0.000 2.113 965 I HA -0.145 4.024 4.170 -0.002 0.000 0.242 965 I C 2.462 178.562 176.117 -0.028 0.000 1.064 965 I CA 1.683 62.962 61.300 -0.036 0.000 1.320 965 I CB -1.305 36.676 38.000 -0.032 0.000 1.028 965 I HN 0.074 nan 8.210 nan 0.000 0.406 966 G N 1.268 110.050 108.800 -0.031 0.000 2.783 966 G HA2 -0.379 3.580 3.960 -0.002 0.000 0.225 966 G HA3 -0.379 3.580 3.960 -0.002 0.000 0.225 966 G C 1.728 176.624 174.900 -0.006 0.000 1.191 966 G CA 1.795 46.888 45.100 -0.013 0.000 0.774 966 G HN 0.481 nan 8.290 nan 0.000 0.632 967 K N -0.309 120.085 120.400 -0.011 0.000 2.103 967 K HA 0.081 4.399 4.320 -0.002 0.000 0.204 967 K C 2.694 179.283 176.600 -0.019 0.000 1.052 967 K CA 0.898 57.179 56.287 -0.010 0.000 0.945 967 K CB -0.210 32.282 32.500 -0.013 0.000 0.722 967 K HN 0.279 nan 8.250 nan 0.000 0.443 968 V N 1.362 121.264 119.914 -0.021 0.000 2.237 968 V HA -0.213 3.906 4.120 -0.002 0.000 0.245 968 V C 2.203 178.282 176.094 -0.024 0.000 1.046 968 V CA 1.579 63.866 62.300 -0.022 0.000 1.007 968 V CB -0.365 31.446 31.823 -0.020 0.000 0.638 968 V HN 0.208 nan 8.190 nan 0.000 0.445 969 R N 0.116 120.604 120.500 -0.021 0.000 2.193 969 R HA 0.027 4.366 4.340 -0.002 0.000 0.229 969 R C 2.114 178.398 176.300 -0.027 0.000 1.110 969 R CA 1.252 57.339 56.100 -0.022 0.000 0.988 969 R CB -1.224 29.066 30.300 -0.017 0.000 0.871 969 R HN 0.578 nan 8.270 nan 0.000 0.458 970 A N 0.253 123.060 122.820 -0.023 0.000 1.898 970 A HA -0.077 4.242 4.320 -0.002 0.000 0.214 970 A C 2.133 179.692 177.584 -0.041 0.000 1.183 970 A CA 1.106 53.128 52.037 -0.024 0.000 0.622 970 A CB -0.244 18.755 19.000 -0.002 0.000 0.824 970 A HN 0.196 nan 8.150 nan 0.000 0.444 971 K N -0.616 119.760 120.400 -0.040 0.000 2.097 971 K HA -0.123 4.196 4.320 -0.002 0.000 0.206 971 K C 1.833 178.396 176.600 -0.061 0.000 1.049 971 K CA 1.273 57.528 56.287 -0.053 0.000 0.933 971 K CB -0.311 32.161 32.500 -0.046 0.000 0.717 971 K HN 0.371 nan 8.250 nan 0.000 0.442 972 L N 1.619 122.811 121.223 -0.051 0.000 1.924 972 L HA -0.271 4.068 4.340 -0.002 0.000 0.222 972 L C 1.403 178.233 176.870 -0.067 0.000 1.081 972 L CA 2.310 57.120 54.840 -0.051 0.000 0.780 972 L CB -0.668 41.368 42.059 -0.039 0.000 0.891 972 L HN 0.212 nan 8.230 nan 0.000 0.434 973 D N -0.660 119.701 120.400 -0.065 0.000 2.339 973 D HA -0.327 4.312 4.640 -0.002 0.000 0.189 973 D C 2.368 178.594 176.300 -0.123 0.000 1.022 973 D CA 1.909 55.859 54.000 -0.082 0.000 0.884 973 D CB -0.549 40.208 40.800 -0.072 0.000 0.916 973 D HN 0.530 nan 8.370 nan 0.000 0.453 974 S N -0.807 114.813 115.700 -0.133 0.000 2.423 974 S HA -0.158 4.311 4.470 -0.002 0.000 0.231 974 S C 1.652 176.124 174.600 -0.213 0.000 1.014 974 S CA 1.166 59.250 58.200 -0.194 0.000 0.965 974 S CB -0.028 63.083 63.200 -0.149 0.000 0.785 974 S HN 0.345 nan 8.310 nan 0.000 0.495 975 Q N -0.467 119.242 119.800 -0.151 0.000 2.392 975 Q HA 0.367 4.706 4.340 -0.002 0.000 0.219 975 Q C 2.405 178.333 176.000 -0.121 0.000 0.895 975 Q CA 0.595 56.315 55.803 -0.139 0.000 0.929 975 Q CB -0.033 28.645 28.738 -0.100 0.000 1.077 975 Q HN 0.671 nan 8.270 nan 0.000 0.532 976 A N 0.974 123.731 122.820 -0.105 0.000 1.897 976 A HA 0.012 4.331 4.320 -0.002 0.000 0.215 976 A C 1.004 178.540 177.584 -0.080 0.000 1.181 976 A CA 0.688 52.678 52.037 -0.077 0.000 0.620 976 A CB 0.039 19.002 19.000 -0.062 0.000 0.821 976 A HN 0.328 nan 8.150 nan 0.000 0.443 977 L N 0.126 121.280 121.223 -0.115 0.000 2.376 977 L HA 0.528 4.867 4.340 -0.002 0.000 0.275 977 L C -0.526 176.209 176.870 -0.225 0.000 0.987 977 L CA -0.859 53.914 54.840 -0.112 0.000 0.828 977 L CB 1.381 43.394 42.059 -0.076 0.000 1.249 977 L HN 0.378 nan 8.230 nan 0.000 0.409 978 R N 4.693 125.051 120.500 -0.237 0.000 2.621 978 R HA 0.451 4.790 4.340 -0.002 0.000 0.292 978 R C -2.008 174.078 176.300 -0.357 0.000 0.969 978 R CA -0.544 55.301 56.100 -0.425 0.000 0.887 978 R CB 1.584 31.628 30.300 -0.426 0.000 1.180 978 R HN 0.500 nan 8.270 nan 0.000 0.450 979 F N 2.229 122.078 119.950 -0.168 0.000 2.415 979 F HA 0.490 5.016 4.527 -0.002 0.000 0.348 979 F C -1.284 174.458 175.800 -0.096 0.000 1.119 979 F CA -1.739 56.230 58.000 -0.052 0.000 1.069 979 F CB 0.257 39.278 39.000 0.034 0.000 1.124 979 F HN 0.222 nan 8.300 nan 0.000 0.472 980 Y N 2.857 123.292 120.300 0.226 0.000 2.328 980 Y HA 0.662 5.210 4.550 -0.002 0.000 0.337 980 Y C -2.694 173.269 175.900 0.105 0.000 1.008 980 Y CA -3.652 54.530 58.100 0.136 0.000 1.129 980 Y CB 1.164 39.673 38.460 0.082 0.000 1.185 980 Y HN 0.397 nan 8.280 nan 0.000 0.476 981 P HA 0.384 nan 4.420 nan 0.000 0.304 981 P C -1.149 176.202 177.300 0.084 0.000 1.435 981 P CA -0.700 62.469 63.100 0.115 0.000 1.011 981 P CB 1.888 33.618 31.700 0.049 0.000 0.994 982 T N 2.882 117.474 114.554 0.064 0.000 2.809 982 T HA 0.524 4.873 4.350 -0.002 0.000 0.284 982 T C -0.170 174.544 174.700 0.023 0.000 0.992 982 T CA -0.578 61.547 62.100 0.042 0.000 0.957 982 T CB 1.324 70.215 68.868 0.038 0.000 0.942 982 T HN 0.256 nan 8.240 nan 0.000 0.439 1094 A N 1.178 124.034 122.820 0.060 0.000 2.506 1094 A HA 0.598 4.917 4.320 -0.002 0.000 0.320 1094 A C 0.506 178.173 177.584 0.139 0.000 1.424 1094 A CA 0.277 52.383 52.037 0.114 0.000 1.044 1094 A CB -0.144 18.928 19.000 0.121 0.000 1.140 1094 A HN 0.457 nan 8.150 nan 0.000 0.538 1095 D N 1.260 121.752 120.400 0.154 0.000 2.277 1095 D HA -0.084 4.555 4.640 -0.002 0.000 0.209 1095 D C 1.422 177.832 176.300 0.183 0.000 0.970 1095 D CA 0.616 54.697 54.000 0.135 0.000 0.874 1095 D CB -0.100 40.762 40.800 0.103 0.000 0.982 1095 D HN 0.883 nan 8.370 nan 0.000 0.504 1096 W N 1.453 122.761 121.300 0.014 0.000 2.341 1096 W HA -0.163 4.496 4.660 -0.002 0.000 0.283 1096 W C 1.612 178.141 176.519 0.016 0.000 1.215 1096 W CA 0.906 58.260 57.345 0.014 0.000 1.211 1096 W CB -0.114 29.352 29.460 0.011 0.000 1.131 1096 W HN -0.058 nan 8.180 nan 0.000 0.552 1097 L N 0.456 121.930 121.223 0.419 0.000 2.418 1097 L HA -0.088 4.251 4.340 -0.002 0.000 0.218 1097 L C 2.373 179.256 176.870 0.022 0.000 1.125 1097 L CA 1.330 56.305 54.840 0.224 0.000 0.835 1097 L CB -0.269 41.989 42.059 0.332 0.000 0.953 1097 L HN -0.084 nan 8.230 nan 0.000 0.454 1098 S N -0.944 114.772 115.700 0.027 0.000 2.388 1098 S HA -0.132 4.336 4.470 -0.002 0.000 0.223 1098 S C 1.737 176.308 174.600 -0.047 0.000 1.034 1098 S CA 0.766 58.968 58.200 0.004 0.000 0.963 1098 S CB -0.138 63.080 63.200 0.030 0.000 0.827 1098 S HN 0.318 nan 8.310 nan 0.000 0.481 1099 E N 2.148 122.294 120.200 -0.089 0.000 2.274 1099 E HA 0.117 4.466 4.350 -0.002 0.000 0.194 1099 E C 1.644 178.117 176.600 -0.211 0.000 0.996 1099 E CA 0.891 57.217 56.400 -0.124 0.000 0.840 1099 E CB -0.368 29.264 29.700 -0.115 0.000 0.772 1099 E HN 0.475 nan 8.360 nan 0.000 0.491 1100 A N -0.051 122.567 122.820 -0.337 0.000 2.178 1100 A HA 0.078 4.397 4.320 -0.002 0.000 0.211 1100 A C 1.796 179.263 177.584 -0.196 0.000 1.157 1100 A CA 0.235 52.038 52.037 -0.390 0.000 0.780 1100 A CB -0.041 18.501 19.000 -0.763 0.000 0.828 1100 A HN -0.021 nan 8.150 nan 0.000 0.476 1101 R N 0.082 120.515 120.500 -0.112 0.000 2.317 1101 R HA 0.134 4.473 4.340 -0.002 0.000 0.208 1101 R C 1.153 177.477 176.300 0.041 0.000 0.914 1101 R CA 0.203 56.293 56.100 -0.018 0.000 1.060 1101 R CB -0.160 30.147 30.300 0.012 0.000 1.015 1101 R HN 0.560 nan 8.270 nan 0.000 0.498 1102 K N 0.874 121.273 120.400 -0.001 0.000 1.973 1102 K HA -0.024 4.295 4.320 -0.002 0.000 0.212 1102 K C -1.323 175.253 176.600 -0.039 0.000 1.047 1102 K CA 0.694 56.991 56.287 0.017 0.000 0.937 1102 K CB -1.187 31.292 32.500 -0.036 0.000 0.721 1102 K HN 0.132 nan 8.250 nan 0.000 0.440 1103 P HA -0.111 nan 4.420 nan 0.000 0.260 1103 P C -0.880 176.398 177.300 -0.036 0.000 1.172 1103 P CA 0.750 63.754 63.100 -0.160 0.000 0.760 1103 P CB -0.118 31.522 31.700 -0.100 0.000 0.773 1104 F N 1.031 120.971 119.950 -0.016 0.000 2.536 1104 F HA 0.426 4.952 4.527 -0.002 0.000 0.322 1104 F C -0.332 175.464 175.800 -0.007 0.000 1.144 1104 F CA -1.867 56.127 58.000 -0.011 0.000 0.924 1104 F CB 0.746 39.740 39.000 -0.009 0.000 1.181 1104 F HN -0.057 nan 8.300 nan 0.000 0.438 1105 V N 4.204 124.254 119.914 0.226 0.000 2.836 1105 V HA 0.096 4.215 4.120 -0.002 0.000 0.368 1105 V C 0.184 176.351 176.094 0.122 0.000 1.452 1105 V CA -0.466 61.921 62.300 0.144 0.000 1.586 1105 V CB -0.295 31.579 31.823 0.084 0.000 1.436 1105 V HN 0.659 nan 8.190 nan 0.000 0.541 1106 V N 1.606 121.607 119.914 0.146 0.000 2.364 1106 V HA 0.247 4.366 4.120 -0.002 0.000 0.252 1106 V C 0.153 176.261 176.094 0.023 0.000 1.075 1106 V CA 0.187 62.501 62.300 0.022 0.000 1.033 1106 V CB 0.282 32.031 31.823 -0.124 0.000 1.116 1106 V HN 0.319 nan 8.190 nan 0.000 0.488 1107 V N 3.020 122.944 119.914 0.018 0.000 3.049 1107 V HA 0.422 4.541 4.120 -0.002 0.000 0.309 1107 V C 0.364 176.462 176.094 0.006 0.000 1.148 1107 V CA -0.572 61.736 62.300 0.014 0.000 0.990 1107 V CB 2.716 34.551 31.823 0.020 0.000 1.039 1107 V HN 0.774 nan 8.190 nan 0.000 0.430 1108 S N 2.192 117.895 115.700 0.005 0.000 2.563 1108 S HA 0.150 4.619 4.470 -0.002 0.000 0.269 1108 S C 0.511 175.120 174.600 0.015 0.000 1.364 1108 S CA 0.070 58.276 58.200 0.009 0.000 1.010 1108 S CB 0.119 63.328 63.200 0.016 0.000 0.877 1108 S HN 0.534 nan 8.310 nan 0.000 0.549 1109 L N 1.015 122.249 121.223 0.019 0.000 2.872 1109 L HA 0.284 4.623 4.340 -0.002 0.000 0.245 1109 L C 0.045 176.932 176.870 0.029 0.000 1.211 1109 L CA 0.258 55.107 54.840 0.015 0.000 1.013 1109 L CB -0.265 41.797 42.059 0.005 0.000 1.326 1109 L HN 0.649 nan 8.230 nan 0.000 0.525 1110 E N -0.019 120.216 120.200 0.058 0.000 2.777 1110 E HA 0.364 4.713 4.350 -0.002 0.000 0.375 1110 E C -0.882 175.844 176.600 0.211 0.000 1.093 1110 E CA -0.305 56.160 56.400 0.108 0.000 0.755 1110 E CB 0.939 30.692 29.700 0.089 0.000 1.595 1110 E HN 0.046 nan 8.360 nan 0.000 0.380 1111 S N 1.144 116.937 115.700 0.154 0.000 2.288 1111 S HA 0.245 4.714 4.470 -0.002 0.000 0.258 1111 S C -1.019 173.460 174.600 -0.201 0.000 0.919 1111 S CA -0.945 57.258 58.200 0.006 0.000 1.010 1111 S CB 0.519 63.735 63.200 0.026 0.000 1.231 1111 S HN 0.290 nan 8.310 nan 0.000 0.403 1112 D N 2.236 122.342 120.400 -0.490 0.000 2.589 1112 D HA 0.877 5.516 4.640 -0.002 0.000 0.268 1112 D C 0.339 176.394 176.300 -0.408 0.000 1.182 1112 D CA -0.414 53.395 54.000 -0.318 0.000 1.087 1112 D CB 0.538 41.255 40.800 -0.138 0.000 1.186 1112 D HN 1.016 nan 8.370 nan 0.000 0.620 1113 S N -1.905 113.638 115.700 -0.262 0.000 2.645 1113 S HA 0.354 4.823 4.470 -0.002 0.000 0.268 1113 S C -1.440 173.076 174.600 -0.140 0.000 1.110 1113 S CA -1.111 56.952 58.200 -0.229 0.000 0.823 1113 S CB -0.211 62.850 63.200 -0.233 0.000 1.091 1113 S HN 0.413 nan 8.310 nan 0.000 0.466 1114 L N 2.826 123.979 121.223 -0.116 0.000 2.461 1114 L HA 0.335 4.674 4.340 -0.002 0.000 0.272 1114 L C 1.336 178.165 176.870 -0.068 0.000 1.197 1114 L CA -0.279 54.516 54.840 -0.074 0.000 0.836 1114 L CB 0.417 42.445 42.059 -0.052 0.000 1.105 1114 L HN 1.004 nan 8.230 nan 0.000 0.477 1115 T N -1.233 113.289 114.554 -0.052 0.000 2.906 1115 T HA -0.092 4.257 4.350 -0.002 0.000 0.329 1115 T C 1.142 175.823 174.700 -0.032 0.000 1.091 1115 T CA -0.335 61.740 62.100 -0.042 0.000 1.127 1115 T CB 0.625 69.471 68.868 -0.035 0.000 1.035 1115 T HN 0.766 nan 8.240 nan 0.000 0.547 1116 K N 1.379 121.764 120.400 -0.025 0.000 2.144 1116 K HA -0.251 4.068 4.320 -0.002 0.000 0.209 1116 K C 2.163 178.761 176.600 -0.003 0.000 1.047 1116 K CA 1.973 58.254 56.287 -0.010 0.000 0.927 1116 K CB -1.017 31.478 32.500 -0.009 0.000 0.716 1116 K HN 0.813 nan 8.250 nan 0.000 0.454 1117 A N 0.485 123.299 122.820 -0.009 0.000 1.840 1117 A HA -0.055 4.264 4.320 -0.002 0.000 0.214 1117 A C 2.319 179.899 177.584 -0.005 0.000 1.198 1117 A CA 1.692 53.725 52.037 -0.006 0.000 0.608 1117 A CB -0.870 18.123 19.000 -0.010 0.000 0.839 1117 A HN 0.408 nan 8.150 nan 0.000 0.443 1118 S N -1.104 114.588 115.700 -0.013 0.000 2.423 1118 S HA -0.227 4.242 4.470 -0.002 0.000 0.238 1118 S C 1.949 176.546 174.600 -0.005 0.000 1.028 1118 S CA 1.933 60.124 58.200 -0.014 0.000 1.000 1118 S CB -0.388 62.797 63.200 -0.026 0.000 0.797 1118 S HN 0.568 nan 8.310 nan 0.000 0.487 1119 M N 0.394 119.995 119.600 0.002 0.000 2.134 1119 M HA 0.039 4.518 4.480 -0.002 0.000 0.262 1119 M C 2.205 178.525 176.300 0.034 0.000 1.076 1119 M CA 1.384 56.698 55.300 0.023 0.000 1.143 1119 M CB -0.351 32.270 32.600 0.035 0.000 1.346 1119 M HN 0.316 nan 8.290 nan 0.000 0.421 1120 A N 0.304 123.140 122.820 0.028 0.000 1.948 1120 A HA -0.148 4.171 4.320 -0.002 0.000 0.220 1120 A C 2.239 179.836 177.584 0.022 0.000 1.177 1120 A CA 2.020 54.073 52.037 0.027 0.000 0.636 1120 A CB -1.235 17.776 19.000 0.020 0.000 0.815 1120 A HN 0.632 nan 8.150 nan 0.000 0.449 1121 A N -0.536 122.293 122.820 0.015 0.000 1.902 1121 A HA -0.017 4.301 4.320 -0.002 0.000 0.217 1121 A C 2.235 179.827 177.584 0.014 0.000 1.181 1121 A CA 1.872 53.916 52.037 0.011 0.000 0.623 1121 A CB -0.939 18.063 19.000 0.004 0.000 0.818 1121 A HN 0.441 nan 8.150 nan 0.000 0.443 1122 V N -0.066 119.857 119.914 0.016 0.000 2.295 1122 V HA -0.277 3.842 4.120 -0.002 0.000 0.246 1122 V C 2.512 178.622 176.094 0.027 0.000 1.049 1122 V CA 2.297 64.607 62.300 0.015 0.000 1.024 1122 V CB -0.824 31.009 31.823 0.018 0.000 0.648 1122 V HN 0.742 nan 8.190 nan 0.000 0.447 1123 E N 0.092 120.314 120.200 0.037 0.000 2.038 1123 E HA -0.260 4.089 4.350 -0.002 0.000 0.195 1123 E C 2.477 179.101 176.600 0.039 0.000 1.000 1123 E CA 1.662 58.087 56.400 0.041 0.000 0.803 1123 E CB -0.216 29.509 29.700 0.041 0.000 0.750 1123 E HN 0.519 nan 8.360 nan 0.000 0.448 1124 S N 0.300 116.020 115.700 0.033 0.000 2.359 1124 S HA -0.248 4.221 4.470 -0.002 0.000 0.224 1124 S C 1.951 176.576 174.600 0.041 0.000 1.035 1124 S CA 1.858 60.078 58.200 0.032 0.000 1.018 1124 S CB -0.333 62.882 63.200 0.025 0.000 0.876 1124 S HN 0.349 nan 8.310 nan 0.000 0.448 1125 E N 1.169 121.392 120.200 0.038 0.000 2.051 1125 E HA -0.096 4.253 4.350 -0.002 0.000 0.192 1125 E C 1.940 178.587 176.600 0.079 0.000 0.991 1125 E CA 1.533 57.962 56.400 0.047 0.000 0.799 1125 E CB -0.584 29.131 29.700 0.025 0.000 0.748 1125 E HN 0.492 nan 8.360 nan 0.000 0.449 1126 I N 1.073 121.683 120.570 0.067 0.000 2.163 1126 I HA -0.275 3.894 4.170 -0.002 0.000 0.243 1126 I C 2.481 178.689 176.117 0.151 0.000 1.085 1126 I CA 1.290 62.655 61.300 0.108 0.000 1.347 1126 I CB -0.982 37.061 38.000 0.071 0.000 1.044 1126 I HN 0.276 nan 8.210 nan 0.000 0.408 1127 I N 0.580 121.208 120.570 0.097 0.000 2.151 1127 I HA -0.367 3.802 4.170 -0.002 0.000 0.243 1127 I C 2.699 178.865 176.117 0.082 0.000 1.080 1127 I CA 1.518 62.865 61.300 0.078 0.000 1.339 1127 I CB -0.614 37.416 38.000 0.050 0.000 1.039 1127 I HN 0.290 nan 8.210 nan 0.000 0.409 1128 K N 1.065 121.517 120.400 0.087 0.000 2.032 1128 K HA -0.275 4.044 4.320 -0.002 0.000 0.209 1128 K C 2.357 179.021 176.600 0.107 0.000 1.048 1128 K CA 1.949 58.284 56.287 0.080 0.000 0.927 1128 K CB -0.666 31.878 32.500 0.073 0.000 0.712 1128 K HN 0.311 nan 8.250 nan 0.000 0.441 1129 Y N 1.163 121.476 120.300 0.021 0.000 2.207 1129 Y HA -0.179 4.370 4.550 -0.002 0.000 0.287 1129 Y C 2.047 177.962 175.900 0.026 0.000 1.156 1129 Y CA 1.532 59.646 58.100 0.024 0.000 1.182 1129 Y CB -0.264 38.213 38.460 0.028 0.000 0.979 1129 Y HN -0.090 nan 8.280 nan 0.000 0.521 1130 V N 0.185 120.152 119.914 0.088 0.000 3.380 1130 V HA -0.108 4.011 4.120 -0.002 0.000 0.268 1130 V C 1.973 178.025 176.094 -0.070 0.000 1.168 1130 V CA 1.587 63.886 62.300 -0.003 0.000 1.156 1130 V CB -0.565 31.336 31.823 0.130 0.000 0.785 1130 V HN 0.672 nan 8.190 nan 0.000 0.487 1131 S N -1.098 114.569 115.700 -0.055 0.000 2.556 1131 S HA 0.278 4.747 4.470 -0.002 0.000 0.216 1131 S C 0.613 175.169 174.600 -0.073 0.000 0.970 1131 S CA -0.268 57.905 58.200 -0.046 0.000 0.912 1131 S CB -0.218 62.974 63.200 -0.012 0.000 0.790 1131 S HN 0.391 nan 8.310 nan 0.000 0.504 1132 L N 2.398 123.540 121.223 -0.135 0.000 2.452 1132 L HA 0.381 4.719 4.340 -0.002 0.000 0.267 1132 L C -2.077 174.716 176.870 -0.129 0.000 1.188 1132 L CA -1.953 52.807 54.840 -0.134 0.000 0.821 1132 L CB -0.209 41.742 42.059 -0.181 0.000 1.102 1132 L HN 0.089 nan 8.230 nan 0.000 0.470 1133 P HA 0.137 nan 4.420 nan 0.000 0.268 1133 P C -1.022 176.228 177.300 -0.083 0.000 1.205 1133 P CA 0.105 63.165 63.100 -0.067 0.000 0.771 1133 P CB 0.801 32.477 31.700 -0.040 0.000 0.858 1134 D N -0.459 119.901 120.400 -0.066 0.000 2.615 1134 D HA 0.591 5.230 4.640 -0.002 0.000 0.267 1134 D C -1.051 175.232 176.300 -0.028 0.000 1.236 1134 D CA -0.344 53.623 54.000 -0.056 0.000 0.839 1134 D CB 2.177 42.928 40.800 -0.081 0.000 1.380 1134 D HN 0.246 nan 8.370 nan 0.000 0.433 1135 S N -0.548 115.143 115.700 -0.015 0.000 2.873 1135 S HA 0.808 5.277 4.470 -0.002 0.000 0.303 1135 S C -1.577 173.023 174.600 -0.001 0.000 1.222 1135 S CA -0.055 58.142 58.200 -0.005 0.000 0.923 1135 S CB 0.433 63.632 63.200 -0.001 0.000 1.286 1135 S HN 0.657 nan 8.310 nan 0.000 0.571 1136 S N -0.028 115.674 115.700 0.004 0.000 2.627 1136 S HA 0.780 5.249 4.470 -0.002 0.000 0.283 1136 S C -0.901 173.708 174.600 0.015 0.000 1.127 1136 S CA -0.705 57.496 58.200 0.002 0.000 0.863 1136 S CB 1.826 65.025 63.200 -0.001 0.000 1.121 1136 S HN 0.863 nan 8.310 nan 0.000 0.479 1137 E N -0.515 119.698 120.200 0.021 0.000 2.412 1137 E HA 0.507 4.856 4.350 -0.002 0.000 0.255 1137 E C -1.377 175.271 176.600 0.080 0.000 0.933 1137 E CA -0.702 55.738 56.400 0.067 0.000 0.823 1137 E CB 1.673 31.448 29.700 0.125 0.000 1.352 1137 E HN 0.706 nan 8.360 nan 0.000 0.406 1138 Q N 1.704 121.581 119.800 0.128 0.000 2.991 1138 Q HA 0.105 4.444 4.340 -0.002 0.000 0.255 1138 Q C -1.273 174.761 176.000 0.056 0.000 0.683 1138 Q CA -0.101 55.759 55.803 0.095 0.000 1.018 1138 Q CB 0.457 29.217 28.738 0.036 0.000 1.503 1138 Q HN 0.418 nan 8.270 nan 0.000 0.361 1139 K N 0.922 121.357 120.400 0.059 0.000 2.552 1139 K HA -0.053 4.266 4.320 -0.002 0.000 0.276 1139 K C -0.038 176.471 176.600 -0.152 0.000 0.960 1139 K CA 0.606 56.778 56.287 -0.192 0.000 0.961 1139 K CB 0.597 32.663 32.500 -0.724 0.000 0.902 1139 K HN 0.073 nan 8.250 nan 0.000 0.515 1140 K N 4.472 124.776 120.400 -0.160 0.000 2.901 1140 K HA 0.183 4.502 4.320 -0.002 0.000 0.199 1140 K C -0.323 176.200 176.600 -0.129 0.000 1.140 1140 K CA -0.307 55.909 56.287 -0.119 0.000 1.030 1140 K CB -0.099 32.351 32.500 -0.083 0.000 1.437 1140 K HN 0.523 nan 8.250 nan 0.000 0.552 1141 L N 1.189 122.315 121.223 -0.162 0.000 2.536 1141 L HA -0.057 4.282 4.340 -0.002 0.000 0.294 1141 L C 0.544 177.367 176.870 -0.078 0.000 1.257 1141 L CA 0.468 55.232 54.840 -0.126 0.000 0.850 1141 L CB 0.366 42.343 42.059 -0.136 0.000 1.105 1141 L HN 0.432 nan 8.230 nan 0.000 0.517 1142 A N 2.035 124.824 122.820 -0.051 0.000 2.583 1142 A HA 0.530 4.849 4.320 -0.002 0.000 0.289 1142 A C 0.113 177.689 177.584 -0.014 0.000 1.151 1142 A CA -0.590 51.425 52.037 -0.035 0.000 0.695 1142 A CB 1.344 20.322 19.000 -0.037 0.000 1.290 1142 A HN 0.684 nan 8.150 nan 0.000 0.419 1143 K N -0.787 119.609 120.400 -0.007 0.000 3.069 1143 K HA -0.123 4.196 4.320 -0.002 0.000 0.267 1143 K C -0.605 175.998 176.600 0.004 0.000 1.082 1143 K CA 0.716 57.005 56.287 0.003 0.000 0.782 1143 K CB -1.617 30.885 32.500 0.004 0.000 1.230 1143 K HN 0.656 nan 8.250 nan 0.000 0.488 1144 V N 2.053 121.970 119.914 0.006 0.000 2.455 1144 V HA 0.209 4.327 4.120 -0.002 0.000 0.273 1144 V C -1.446 174.637 176.094 -0.017 0.000 1.045 1144 V CA -1.122 61.182 62.300 0.008 0.000 0.976 1144 V CB 0.824 32.674 31.823 0.045 0.000 0.993 1144 V HN 0.167 nan 8.190 nan 0.000 0.475 1145 P HA 0.279 nan 4.420 nan 0.000 0.274 1145 P C 0.463 177.719 177.300 -0.074 0.000 1.246 1145 P CA -0.492 62.579 63.100 -0.047 0.000 0.795 1145 P CB 1.137 32.795 31.700 -0.070 0.000 1.006 1146 R N 0.705 121.177 120.500 -0.046 0.000 2.152 1146 R HA -0.122 4.217 4.340 -0.002 0.000 0.232 1146 R C 1.776 178.020 176.300 -0.092 0.000 1.117 1146 R CA 1.297 57.352 56.100 -0.074 0.000 0.981 1146 R CB -0.225 30.133 30.300 0.097 0.000 0.870 1146 R HN 0.585 nan 8.270 nan 0.000 0.451 1147 E N 0.238 120.395 120.200 -0.071 0.000 2.516 1147 E HA -0.074 4.275 4.350 -0.002 0.000 0.199 1147 E C 1.061 177.583 176.600 -0.130 0.000 1.069 1147 E CA 0.851 57.204 56.400 -0.078 0.000 0.876 1147 E CB 0.056 29.716 29.700 -0.067 0.000 0.843 1147 E HN 0.308 nan 8.360 nan 0.000 0.530 1148 A N 0.464 123.181 122.820 -0.173 0.000 2.275 1148 A HA 0.258 4.577 4.320 -0.002 0.000 0.212 1148 A C 0.589 178.023 177.584 -0.249 0.000 1.201 1148 A CA -0.090 51.801 52.037 -0.243 0.000 0.843 1148 A CB 0.150 19.012 19.000 -0.230 0.000 0.873 1148 A HN 0.110 nan 8.150 nan 0.000 0.492 1149 I N 0.113 120.570 120.570 -0.188 0.000 2.785 1149 I HA 0.638 4.806 4.170 -0.002 0.000 0.302 1149 I C -1.129 174.936 176.117 -0.087 0.000 1.069 1149 I CA -1.871 59.319 61.300 -0.184 0.000 1.045 1149 I CB 2.097 39.874 38.000 -0.372 0.000 1.236 1149 I HN 0.225 nan 8.210 nan 0.000 0.429 1150 L N 4.026 125.246 121.223 -0.006 0.000 2.506 1150 L HA 0.656 4.995 4.340 -0.002 0.000 0.257 1150 L C -1.252 175.712 176.870 0.157 0.000 0.964 1150 L CA -0.685 54.224 54.840 0.114 0.000 0.836 1150 L CB 1.718 43.816 42.059 0.064 0.000 1.384 1150 L HN 0.337 nan 8.230 nan 0.000 0.410 1151 N N 1.728 120.558 118.700 0.217 0.000 2.406 1151 N HA 0.418 5.157 4.740 -0.002 0.000 0.251 1151 N C 0.790 176.310 175.510 0.017 0.000 1.069 1151 N CA 0.445 53.567 53.050 0.120 0.000 0.947 1151 N CB 2.075 40.622 38.487 0.099 0.000 1.111 1151 N HN 0.980 nan 8.380 nan 0.000 0.497 1152 A N 2.641 125.457 122.820 -0.006 0.000 1.930 1152 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 1152 A C 1.863 179.351 177.584 -0.159 0.000 1.175 1152 A CA 0.908 52.916 52.037 -0.048 0.000 0.627 1152 A CB -0.308 18.675 19.000 -0.027 0.000 0.815 1152 A HN 0.726 nan 8.150 nan 0.000 0.443 1153 E N 0.382 120.479 120.200 -0.172 0.000 2.169 1153 E HA -0.225 4.124 4.350 -0.002 0.000 0.202 1153 E C 1.319 177.535 176.600 -0.640 0.000 1.016 1153 E CA 1.688 57.887 56.400 -0.335 0.000 0.817 1153 E CB -0.089 29.489 29.700 -0.203 0.000 0.736 1153 E HN 0.700 nan 8.360 nan 0.000 0.462 1154 S N -1.451 114.007 115.700 -0.403 0.000 2.588 1154 S HA 0.273 4.741 4.470 -0.002 0.000 0.245 1154 S C 0.349 174.830 174.600 -0.198 0.000 1.021 1154 S CA -0.534 57.438 58.200 -0.380 0.000 1.006 1154 S CB 1.028 64.033 63.200 -0.325 0.000 0.830 1154 S HN -0.039 nan 8.310 nan 0.000 0.468 1155 S N 0.421 115.991 115.700 -0.217 0.000 2.941 1155 S HA 0.344 4.813 4.470 -0.002 0.000 0.251 1155 S C 0.456 175.098 174.600 0.071 0.000 1.029 1155 S CA -0.667 57.522 58.200 -0.018 0.000 1.062 1155 S CB -0.315 62.893 63.200 0.014 0.000 0.977 1155 S HN 0.606 nan 8.310 nan 0.000 0.552 1156 Y N 0.740 121.005 120.300 -0.057 0.000 2.102 1156 Y HA -0.247 4.302 4.550 -0.002 0.000 0.280 1156 Y C 2.382 178.257 175.900 -0.041 0.000 1.178 1156 Y CA 0.968 59.015 58.100 -0.089 0.000 1.146 1156 Y CB -0.159 38.242 38.460 -0.098 0.000 0.968 1156 Y HN 0.194 nan 8.280 nan 0.000 0.504 1157 V N -0.619 119.388 119.914 0.155 0.000 2.591 1157 V HA -0.243 3.876 4.120 -0.002 0.000 0.249 1157 V C 2.059 178.194 176.094 0.068 0.000 1.053 1157 V CA 1.057 63.410 62.300 0.088 0.000 1.068 1157 V CB -0.447 31.413 31.823 0.062 0.000 0.689 1157 V HN 0.290 nan 8.190 nan 0.000 0.462 1158 L N -0.077 121.188 121.223 0.069 0.000 2.027 1158 L HA -0.071 4.268 4.340 -0.002 0.000 0.206 1158 L C 2.157 179.065 176.870 0.062 0.000 1.074 1158 L CA 1.885 56.756 54.840 0.052 0.000 0.745 1158 L CB -0.550 41.535 42.059 0.044 0.000 0.898 1158 L HN 0.202 nan 8.230 nan 0.000 0.433 1159 L N -0.806 120.464 121.223 0.078 0.000 2.191 1159 L HA -0.173 4.166 4.340 -0.002 0.000 0.212 1159 L C 2.443 179.397 176.870 0.140 0.000 1.103 1159 L CA 1.046 55.945 54.840 0.099 0.000 0.769 1159 L CB -0.499 41.611 42.059 0.085 0.000 0.908 1159 L HN 0.227 nan 8.230 nan 0.000 0.438 1160 R N -0.441 120.119 120.500 0.100 0.000 2.299 1160 R HA -0.022 4.317 4.340 -0.002 0.000 0.197 1160 R C 2.300 178.658 176.300 0.096 0.000 0.971 1160 R CA 0.909 57.068 56.100 0.098 0.000 1.030 1160 R CB -0.050 30.276 30.300 0.043 0.000 0.932 1160 R HN 0.415 nan 8.270 nan 0.000 0.477 1161 S N -0.153 115.591 115.700 0.074 0.000 2.501 1161 S HA -0.011 4.458 4.470 -0.002 0.000 0.220 1161 S C 0.655 175.267 174.600 0.021 0.000 0.997 1161 S CA -0.286 57.939 58.200 0.042 0.000 0.919 1161 S CB 0.142 63.358 63.200 0.027 0.000 0.778 1161 S HN 0.198 nan 8.310 nan 0.000 0.523 1162 Q N 1.971 121.788 119.800 0.027 0.000 2.349 1162 Q HA 0.186 4.525 4.340 -0.002 0.000 0.287 1162 Q C -0.105 175.818 176.000 -0.129 0.000 1.044 1162 Q CA 0.043 55.774 55.803 -0.121 0.000 0.918 1162 Q CB 0.365 28.915 28.738 -0.314 0.000 1.242 1162 Q HN 0.551 nan 8.270 nan 0.000 0.405 1163 R N 0.966 121.319 120.500 -0.245 0.000 2.531 1163 R HA 0.530 4.869 4.340 -0.002 0.000 0.273 1163 R C -0.919 175.048 176.300 -0.555 0.000 1.070 1163 R CA -0.231 55.695 56.100 -0.290 0.000 1.112 1163 R CB 0.543 30.675 30.300 -0.279 0.000 1.049 1163 R HN 0.341 nan 8.270 nan 0.000 0.508 1164 F N 0.391 120.055 119.950 -0.476 0.000 2.547 1164 F HA 0.384 4.910 4.527 -0.002 0.000 0.316 1164 F C 0.184 175.681 175.800 -0.504 0.000 1.121 1164 F CA -0.699 57.072 58.000 -0.383 0.000 0.911 1164 F CB 1.755 40.640 39.000 -0.191 0.000 1.179 1164 F HN 0.403 nan 8.300 nan 0.000 0.443 1165 H N 2.924 122.099 119.070 0.176 0.000 2.621 1165 H HA 0.422 4.977 4.556 -0.002 0.000 0.360 1165 H C -0.178 175.294 175.328 0.239 0.000 1.163 1165 H CA -1.004 55.172 56.048 0.214 0.000 1.194 1165 H CB 2.051 31.883 29.762 0.116 0.000 1.649 1165 H HN 0.416 nan 8.280 nan 0.000 0.532 1166 L N 1.034 122.483 121.223 0.378 0.000 2.628 1166 L HA -0.188 4.151 4.340 -0.002 0.000 0.292 1166 L C 1.545 178.500 176.870 0.141 0.000 1.250 1166 L CA 1.573 56.525 54.840 0.186 0.000 0.892 1166 L CB -0.128 41.992 42.059 0.101 0.000 1.138 1166 L HN 1.154 nan 8.230 nan 0.000 0.502 1167 G N 2.083 110.936 108.800 0.088 0.000 2.550 1167 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.233 1167 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.233 1167 G C 0.279 175.224 174.900 0.074 0.000 1.170 1167 G CA 0.172 45.307 45.100 0.059 0.000 0.693 1167 G HN 0.657 nan 8.290 nan 0.000 0.512 1168 D N 2.049 122.523 120.400 0.124 0.000 2.730 1168 D HA 0.156 4.794 4.640 -0.002 0.000 0.225 1168 D C 1.152 177.514 176.300 0.103 0.000 1.107 1168 D CA 0.456 54.530 54.000 0.123 0.000 0.837 1168 D CB 0.338 41.241 40.800 0.171 0.000 1.171 1168 D HN 0.284 nan 8.370 nan 0.000 0.498 1169 R N 1.614 122.161 120.500 0.078 0.000 2.401 1169 R HA 0.265 4.604 4.340 -0.002 0.000 0.299 1169 R C -0.103 176.271 176.300 0.124 0.000 1.064 1169 R CA -0.388 55.759 56.100 0.077 0.000 1.000 1169 R CB 0.495 30.828 30.300 0.055 0.000 0.973 1169 R HN 0.286 nan 8.270 nan 0.000 0.438 1170 V N 0.250 120.242 119.914 0.130 0.000 2.914 1170 V HA 0.637 4.756 4.120 -0.002 0.000 0.314 1170 V C -0.231 175.981 176.094 0.196 0.000 1.084 1170 V CA -1.171 61.242 62.300 0.188 0.000 0.963 1170 V CB 2.533 34.505 31.823 0.247 0.000 1.025 1170 V HN 0.710 nan 8.190 nan 0.000 0.432 1171 M N 3.382 123.120 119.600 0.230 0.000 2.456 1171 M HA 0.536 5.014 4.480 -0.002 0.000 0.324 1171 M C -1.659 174.837 176.300 0.327 0.000 1.124 1171 M CA -0.910 54.559 55.300 0.281 0.000 0.959 1171 M CB 2.094 34.830 32.600 0.226 0.000 1.692 1171 M HN 0.959 nan 8.290 nan 0.000 0.444 1172 Y N 4.948 125.423 120.300 0.292 0.000 2.359 1172 Y HA 0.220 4.768 4.550 -0.002 0.000 0.334 1172 Y C 0.258 176.256 175.900 0.165 0.000 1.058 1172 Y CA 0.099 58.352 58.100 0.255 0.000 1.244 1172 Y CB 0.616 39.213 38.460 0.228 0.000 1.187 1172 Y HN 0.629 nan 8.280 nan 0.000 0.510 1173 I N 3.500 123.968 120.570 -0.170 0.000 4.288 1173 I HA 0.101 4.269 4.170 -0.002 0.000 0.331 1173 I C 0.017 176.083 176.117 -0.086 0.000 1.322 1173 I CA 0.254 61.520 61.300 -0.056 0.000 1.149 1173 I CB -0.367 37.611 38.000 -0.036 0.000 1.112 1173 I HN 0.554 nan 8.210 nan 0.000 0.403 1174 Q N 1.377 121.075 119.800 -0.171 0.000 2.235 1174 Q HA 0.156 4.495 4.340 -0.002 0.000 0.250 1174 Q C 0.327 176.400 176.000 0.121 0.000 0.909 1174 Q CA -0.212 55.586 55.803 -0.009 0.000 0.910 1174 Q CB 1.765 30.514 28.738 0.018 0.000 1.223 1174 Q HN 0.059 nan 8.270 nan 0.000 0.432 1175 D N 0.531 120.977 120.400 0.078 0.000 2.265 1175 D HA -0.100 4.539 4.640 -0.002 0.000 0.208 1175 D C 0.482 176.842 176.300 0.100 0.000 0.977 1175 D CA 1.063 55.101 54.000 0.062 0.000 0.871 1175 D CB 0.384 41.207 40.800 0.039 0.000 0.925 1175 D HN 0.521 nan 8.370 nan 0.000 0.485 1176 S N -2.377 113.437 115.700 0.190 0.000 2.697 1176 S HA 0.789 5.258 4.470 -0.002 0.000 0.289 1176 S C 0.279 175.003 174.600 0.207 0.000 1.149 1176 S CA -0.198 58.130 58.200 0.212 0.000 0.850 1176 S CB 2.789 66.188 63.200 0.333 0.000 1.151 1176 S HN 0.340 nan 8.310 nan 0.000 0.491 1177 G N 0.784 109.528 108.800 -0.094 0.000 2.352 1177 G HA2 0.009 3.968 3.960 -0.002 0.000 0.324 1177 G HA3 0.009 3.968 3.960 -0.002 0.000 0.324 1177 G C -0.441 174.227 174.900 -0.387 0.000 1.249 1177 G CA -0.350 44.502 45.100 -0.413 0.000 1.053 1177 G HN 0.658 nan 8.290 nan 0.000 0.492 1178 K N -0.575 119.586 120.400 -0.399 0.000 2.487 1178 K HA 0.361 4.680 4.320 -0.002 0.000 0.192 1178 K C 0.431 176.750 176.600 -0.468 0.000 1.027 1178 K CA 0.587 56.670 56.287 -0.339 0.000 1.054 1178 K CB 0.776 33.111 32.500 -0.276 0.000 0.824 1178 K HN 0.429 nan 8.250 nan 0.000 0.510 1179 V N 2.146 121.640 119.914 -0.700 0.000 2.808 1179 V HA 0.191 4.310 4.120 -0.002 0.000 0.308 1179 V C -2.635 173.016 176.094 -0.737 0.000 1.099 1179 V CA -2.201 59.554 62.300 -0.909 0.000 0.920 1179 V CB 2.458 33.458 31.823 -1.371 0.000 1.014 1179 V HN -0.068 nan 8.190 nan 0.000 0.425 1180 P HA 0.071 nan 4.420 nan 0.000 0.261 1180 P C -0.283 176.916 177.300 -0.169 0.000 1.183 1180 P CA -0.158 62.782 63.100 -0.266 0.000 0.761 1180 P CB 0.230 31.808 31.700 -0.204 0.000 0.785 1181 L N 6.240 127.404 121.223 -0.100 0.000 2.678 1181 L HA -0.143 4.196 4.340 -0.002 0.000 0.285 1181 L C 0.900 177.651 176.870 -0.198 0.000 1.233 1181 L CA 1.411 56.152 54.840 -0.164 0.000 0.920 1181 L CB -0.812 41.036 42.059 -0.351 0.000 1.176 1181 L HN 0.578 nan 8.230 nan 0.000 0.495 1182 H N 0.428 119.619 119.070 0.201 0.000 4.251 1182 H HA -0.156 4.399 4.556 -0.002 0.000 0.125 1182 H C 0.738 176.171 175.328 0.176 0.000 0.689 1182 H CA 0.686 56.830 56.048 0.161 0.000 1.244 1182 H CB -1.713 28.113 29.762 0.105 0.000 0.672 1182 H HN 0.658 nan 8.280 nan 0.000 0.576 1183 S N 3.215 119.042 115.700 0.213 0.000 2.784 1183 S HA 0.093 4.561 4.470 -0.002 0.000 0.322 1183 S C 0.872 175.720 174.600 0.412 0.000 1.234 1183 S CA 0.599 58.916 58.200 0.195 0.000 1.064 1183 S CB 0.769 63.895 63.200 -0.124 0.000 0.787 1183 S HN 0.226 nan 8.310 nan 0.000 0.506 1184 K N 1.551 122.171 120.400 0.366 0.000 2.168 1184 K HA 0.813 5.131 4.320 -0.002 0.000 0.239 1184 K C 0.526 177.315 176.600 0.314 0.000 0.999 1184 K CA -0.848 55.637 56.287 0.331 0.000 0.900 1184 K CB 1.473 34.107 32.500 0.224 0.000 1.111 1184 K HN 0.672 nan 8.250 nan 0.000 0.452 1185 G N -0.339 108.534 108.800 0.121 0.000 2.488 1185 G HA2 0.379 4.338 3.960 -0.002 0.000 0.301 1185 G HA3 0.379 4.338 3.960 -0.002 0.000 0.301 1185 G C -1.530 173.340 174.900 -0.050 0.000 1.339 1185 G CA -0.510 44.558 45.100 -0.054 0.000 0.803 1185 G HN 0.363 nan 8.290 nan 0.000 0.482 1186 T N 0.130 114.639 114.554 -0.075 0.000 2.861 1186 T HA 0.520 4.869 4.350 -0.002 0.000 0.287 1186 T C -0.119 174.572 174.700 -0.015 0.000 1.003 1186 T CA -0.312 61.777 62.100 -0.017 0.000 0.977 1186 T CB 1.829 70.691 68.868 -0.011 0.000 0.996 1186 T HN 0.508 nan 8.240 nan 0.000 0.448 1187 V N 4.146 124.086 119.914 0.043 0.000 2.479 1187 V HA 0.106 4.225 4.120 -0.002 0.000 0.281 1187 V C 1.299 177.412 176.094 0.032 0.000 1.031 1187 V CA 0.162 62.497 62.300 0.060 0.000 1.038 1187 V CB 0.857 32.777 31.823 0.162 0.000 0.981 1187 V HN 0.841 nan 8.190 nan 0.000 0.478 1188 V N 2.092 121.997 119.914 -0.015 0.000 3.319 1188 V HA 0.835 4.953 4.120 -0.002 0.000 0.317 1188 V C 0.538 176.533 176.094 -0.166 0.000 1.411 1188 V CA 0.535 62.796 62.300 -0.065 0.000 1.112 1188 V CB -0.103 31.693 31.823 -0.045 0.000 1.031 1188 V HN 1.121 nan 8.190 nan 0.000 0.448 1189 G N 0.213 108.924 108.800 -0.148 0.000 2.347 1189 G HA2 0.464 4.423 3.960 -0.002 0.000 0.303 1189 G HA3 0.464 4.423 3.960 -0.002 0.000 0.303 1189 G C -1.647 173.167 174.900 -0.143 0.000 1.481 1189 G CA -0.177 44.762 45.100 -0.267 0.000 0.914 1189 G HN 1.070 nan 8.290 nan 0.000 0.638 1190 Y N -2.097 118.156 120.300 -0.079 0.000 2.534 1190 Y HA 0.853 5.402 4.550 -0.002 0.000 0.345 1190 Y C -0.399 175.467 175.900 -0.057 0.000 1.031 1190 Y CA -1.463 56.594 58.100 -0.071 0.000 1.022 1190 Y CB 1.840 40.272 38.460 -0.047 0.000 1.292 1190 Y HN 0.530 nan 8.280 nan 0.000 0.459 1191 T N 2.096 116.729 114.554 0.131 0.000 2.833 1191 T HA 0.285 4.634 4.350 -0.002 0.000 0.297 1191 T C -0.320 174.434 174.700 0.089 0.000 1.015 1191 T CA -0.534 61.609 62.100 0.073 0.000 0.963 1191 T CB 0.812 69.689 68.868 0.015 0.000 0.955 1191 T HN 0.747 nan 8.240 nan 0.000 0.449 1192 S N 4.377 120.136 115.700 0.098 0.000 2.519 1192 S HA 0.257 4.725 4.470 -0.002 0.000 0.245 1192 S C 0.737 175.358 174.600 0.036 0.000 1.152 1192 S CA -0.548 57.690 58.200 0.062 0.000 1.175 1192 S CB -0.824 62.419 63.200 0.071 0.000 0.829 1192 S HN 0.668 nan 8.310 nan 0.000 0.472 1193 I N 2.830 123.416 120.570 0.027 0.000 3.460 1193 I HA 0.007 4.176 4.170 -0.002 0.000 0.321 1193 I C 1.574 177.697 176.117 0.010 0.000 1.148 1193 I CA 1.128 62.437 61.300 0.015 0.000 2.244 1193 I CB -0.920 37.086 38.000 0.010 0.000 1.711 1193 I HN 0.639 nan 8.210 nan 0.000 1.079 1194 G N 3.820 112.627 108.800 0.012 0.000 5.218 1194 G HA2 -0.406 3.553 3.960 -0.002 0.000 0.342 1194 G HA3 -0.406 3.553 3.960 -0.002 0.000 0.342 1194 G C 1.537 176.444 174.900 0.011 0.000 1.391 1194 G CA 0.634 45.740 45.100 0.010 0.000 1.096 1194 G HN 0.395 nan 8.290 nan 0.000 0.831 1195 K N 2.038 122.443 120.400 0.009 0.000 2.028 1195 K HA 0.029 4.348 4.320 -0.002 0.000 0.211 1195 K C 1.369 177.973 176.600 0.007 0.000 1.034 1195 K CA 0.922 57.215 56.287 0.009 0.000 0.999 1195 K CB -1.071 31.433 32.500 0.006 0.000 1.060 1195 K HN 0.848 nan 8.250 nan 0.000 0.451 1196 N N 1.504 120.206 118.700 0.003 0.000 2.518 1196 N HA 0.167 4.906 4.740 -0.002 0.000 0.283 1196 N C -0.187 175.319 175.510 -0.006 0.000 1.119 1196 N CA -0.492 52.556 53.050 -0.003 0.000 0.983 1196 N CB 1.214 39.695 38.487 -0.009 0.000 1.139 1196 N HN -0.167 nan 8.380 nan 0.000 0.465 1197 V N 0.751 120.654 119.914 -0.018 0.000 2.673 1197 V HA 0.024 4.143 4.120 -0.002 0.000 0.303 1197 V C 0.732 176.804 176.094 -0.037 0.000 1.046 1197 V CA -0.212 62.070 62.300 -0.029 0.000 1.126 1197 V CB 0.932 32.712 31.823 -0.072 0.000 0.934 1197 V HN 0.810 nan 8.190 nan 0.000 0.487 1198 S N 5.191 120.883 115.700 -0.013 0.000 2.594 1198 S HA 0.522 4.991 4.470 -0.002 0.000 0.322 1198 S C -0.552 174.038 174.600 -0.017 0.000 1.085 1198 S CA -0.812 57.378 58.200 -0.017 0.000 1.116 1198 S CB 0.005 63.211 63.200 0.010 0.000 0.979 1198 S HN 0.476 nan 8.310 nan 0.000 0.465 1199 I N 3.944 124.463 120.570 -0.086 0.000 2.471 1199 I HA 0.301 4.470 4.170 -0.002 0.000 0.286 1199 I C 0.437 176.534 176.117 -0.034 0.000 1.079 1199 I CA -0.369 60.880 61.300 -0.086 0.000 1.398 1199 I CB 0.359 38.186 38.000 -0.288 0.000 1.403 1199 I HN 0.585 nan 8.210 nan 0.000 0.530 1200 Q N 4.761 124.544 119.800 -0.028 0.000 2.307 1200 Q HA 0.366 4.705 4.340 -0.002 0.000 0.259 1200 Q C -0.634 175.387 176.000 0.035 0.000 0.998 1200 Q CA -0.042 55.758 55.803 -0.005 0.000 0.923 1200 Q CB 1.238 29.784 28.738 -0.321 0.000 1.196 1200 Q HN 0.442 nan 8.270 nan 0.000 0.416 1201 V N 4.519 124.476 119.914 0.071 0.000 2.357 1201 V HA 0.286 4.405 4.120 -0.002 0.000 0.284 1201 V C -0.391 175.613 176.094 -0.149 0.000 1.018 1201 V CA -0.807 61.381 62.300 -0.186 0.000 0.841 1201 V CB 1.443 32.930 31.823 -0.561 0.000 0.991 1201 V HN 0.686 nan 8.190 nan 0.000 0.437 1202 L N 6.180 127.378 121.223 -0.041 0.000 2.295 1202 L HA 0.475 4.814 4.340 -0.002 0.000 0.288 1202 L C -0.425 176.389 176.870 -0.094 0.000 1.079 1202 L CA -0.082 54.775 54.840 0.028 0.000 0.830 1202 L CB 0.023 42.145 42.059 0.105 0.000 1.200 1202 L HN 0.465 nan 8.230 nan 0.000 0.438 1203 F N 3.599 123.569 119.950 0.033 0.000 2.471 1203 F HA 0.028 4.554 4.527 -0.002 0.000 0.353 1203 F C 1.518 177.337 175.800 0.031 0.000 1.113 1203 F CA -0.171 57.844 58.000 0.025 0.000 1.262 1203 F CB 0.726 39.716 39.000 -0.017 0.000 1.146 1203 F HN 0.580 nan 8.300 nan 0.000 0.578 1204 D N 0.867 121.430 120.400 0.272 0.000 2.104 1204 D HA -0.152 4.487 4.640 -0.002 0.000 0.194 1204 D C 0.400 176.798 176.300 0.164 0.000 0.994 1204 D CA 1.470 55.590 54.000 0.200 0.000 0.830 1204 D CB -0.158 40.778 40.800 0.227 0.000 0.959 1204 D HN 0.329 nan 8.370 nan 0.000 0.452 1205 N N 1.230 120.021 118.700 0.153 0.000 2.508 1205 N HA 0.108 4.847 4.740 -0.002 0.000 0.285 1205 N C -0.138 175.388 175.510 0.028 0.000 1.144 1205 N CA -0.165 52.922 53.050 0.061 0.000 0.978 1205 N CB 0.913 39.405 38.487 0.009 0.000 1.180 1205 N HN 0.052 nan 8.380 nan 0.000 0.484 1206 E N 0.883 121.074 120.200 -0.015 0.000 2.376 1206 E HA 0.091 4.440 4.350 -0.002 0.000 0.266 1206 E C -0.220 176.308 176.600 -0.120 0.000 1.009 1206 E CA 0.138 56.505 56.400 -0.055 0.000 0.902 1206 E CB 0.741 30.401 29.700 -0.067 0.000 0.972 1206 E HN 0.286 nan 8.360 nan 0.000 0.439 1207 I N 4.412 124.894 120.570 -0.146 0.000 2.404 1207 I HA 0.085 4.254 4.170 -0.002 0.000 0.293 1207 I C 1.391 177.381 176.117 -0.211 0.000 0.992 1207 I CA -0.219 60.943 61.300 -0.229 0.000 1.149 1207 I CB 1.450 39.281 38.000 -0.282 0.000 1.315 1207 I HN 0.655 nan 8.210 nan 0.000 0.446 1208 I N 4.710 125.140 120.570 -0.232 0.000 2.264 1208 I HA -0.270 3.899 4.170 -0.002 0.000 0.248 1208 I C 2.279 178.315 176.117 -0.135 0.000 1.111 1208 I CA 1.607 62.779 61.300 -0.213 0.000 1.382 1208 I CB 0.095 37.978 38.000 -0.195 0.000 1.060 1208 I HN 0.752 nan 8.210 nan 0.000 0.418 1209 A N 0.357 123.091 122.820 -0.144 0.000 2.238 1209 A HA 0.243 4.561 4.320 -0.002 0.000 0.208 1209 A C 1.431 178.944 177.584 -0.117 0.000 1.177 1209 A CA 0.705 52.674 52.037 -0.114 0.000 0.804 1209 A CB -0.957 17.964 19.000 -0.131 0.000 0.823 1209 A HN 0.396 nan 8.150 nan 0.000 0.482 1210 G N 0.069 108.789 108.800 -0.133 0.000 2.508 1210 G HA2 0.444 4.403 3.960 -0.002 0.000 0.278 1210 G HA3 0.444 4.403 3.960 -0.002 0.000 0.278 1210 G C -0.280 174.527 174.900 -0.154 0.000 1.389 1210 G CA -0.122 44.896 45.100 -0.136 0.000 1.050 1210 G HN 0.825 nan 8.290 nan 0.000 0.522 1211 N N -2.871 115.691 118.700 -0.229 0.000 3.185 1211 N HA 0.201 4.939 4.740 -0.002 0.000 0.238 1211 N C -1.142 174.174 175.510 -0.323 0.000 1.451 1211 N CA -0.863 52.058 53.050 -0.214 0.000 0.888 1211 N CB 0.900 39.297 38.487 -0.150 0.000 1.413 1211 N HN 0.374 nan 8.380 nan 0.000 0.511 1212 N N 0.623 119.205 118.700 -0.196 0.000 3.209 1212 N HA 0.160 4.899 4.740 -0.002 0.000 0.309 1212 N C -0.791 174.689 175.510 -0.050 0.000 1.384 1212 N CA -0.600 52.359 53.050 -0.151 0.000 1.173 1212 N CB -1.084 37.365 38.487 -0.063 0.000 1.460 1212 N HN 0.708 nan 8.380 nan 0.000 0.534 1213 F N 1.179 121.126 119.950 -0.004 0.000 2.593 1213 F HA -0.271 4.255 4.527 -0.002 0.000 0.180 1213 F C 1.595 177.391 175.800 -0.007 0.000 1.086 1213 F CA 0.628 58.623 58.000 -0.008 0.000 0.785 1213 F CB -1.456 37.537 39.000 -0.012 0.000 0.605 1213 F HN 0.630 nan 8.300 nan 0.000 0.829 1214 G N -0.230 108.653 108.800 0.139 0.000 2.246 1214 G HA2 0.078 4.037 3.960 -0.002 0.000 0.273 1214 G HA3 0.078 4.037 3.960 -0.002 0.000 0.273 1214 G C 0.934 175.871 174.900 0.062 0.000 1.055 1214 G CA 0.598 45.749 45.100 0.085 0.000 0.851 1214 G HN 1.884 nan 8.290 nan 0.000 0.500 1215 G N -0.572 108.257 108.800 0.048 0.000 2.195 1215 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.246 1215 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.246 1215 G C 0.833 175.757 174.900 0.040 0.000 0.984 1215 G CA 1.019 46.139 45.100 0.032 0.000 0.633 1215 G HN 2.042 nan 8.290 nan 0.000 0.525 1216 R N -0.355 120.187 120.500 0.070 0.000 4.031 1216 R HA 0.700 5.039 4.340 -0.002 0.000 0.269 1216 R C -0.259 176.091 176.300 0.083 0.000 1.668 1216 R CA -0.254 55.890 56.100 0.073 0.000 1.432 1216 R CB -0.066 30.284 30.300 0.084 0.000 1.374 1216 R HN 0.626 nan 8.270 nan 0.000 0.681 1217 L N 0.539 121.792 121.223 0.050 0.000 3.349 1217 L HA 0.039 4.378 4.340 -0.002 0.000 0.265 1217 L C 0.043 176.918 176.870 0.009 0.000 0.964 1217 L CA -0.260 54.602 54.840 0.036 0.000 1.103 1217 L CB 1.992 44.069 42.059 0.030 0.000 1.838 1217 L HN 0.076 nan 8.230 nan 0.000 0.527 1218 Q N 0.467 120.272 119.800 0.008 0.000 2.291 1218 Q HA 0.064 4.403 4.340 -0.002 0.000 0.205 1218 Q C 0.555 176.548 176.000 -0.011 0.000 0.970 1218 Q CA 1.321 57.125 55.803 0.001 0.000 0.876 1218 Q CB 0.045 28.787 28.738 0.006 0.000 0.935 1218 Q HN 0.813 nan 8.270 nan 0.000 0.455 1219 T N -3.220 111.322 114.554 -0.021 0.000 2.910 1219 T HA 0.492 4.841 4.350 -0.002 0.000 0.287 1219 T C -0.061 174.598 174.700 -0.068 0.000 1.050 1219 T CA -0.996 61.083 62.100 -0.035 0.000 1.011 1219 T CB 1.906 70.761 68.868 -0.021 0.000 1.195 1219 T HN -0.055 nan 8.240 nan 0.000 0.540 1220 R N 0.406 120.860 120.500 -0.076 0.000 4.496 1220 R HA 0.282 4.621 4.340 -0.002 0.000 0.211 1220 R C 0.807 177.042 176.300 -0.107 0.000 1.738 1220 R CA -0.229 55.805 56.100 -0.109 0.000 1.528 1220 R CB -0.325 29.912 30.300 -0.105 0.000 1.414 1220 R HN 0.538 nan 8.270 nan 0.000 0.812 1221 R N 0.084 120.513 120.500 -0.119 0.000 2.437 1221 R HA 0.164 4.503 4.340 -0.002 0.000 0.257 1221 R C 0.364 176.610 176.300 -0.091 0.000 0.927 1221 R CA 0.039 56.114 56.100 -0.042 0.000 1.078 1221 R CB 1.530 31.835 30.300 0.008 0.000 1.161 1221 R HN 0.308 nan 8.270 nan 0.000 0.529 1222 G N 1.123 109.693 108.800 -0.383 0.000 2.348 1222 G HA2 0.533 4.492 3.960 -0.002 0.000 0.312 1222 G HA3 0.533 4.492 3.960 -0.002 0.000 0.312 1222 G C -1.344 173.315 174.900 -0.402 0.000 1.126 1222 G CA -0.179 44.399 45.100 -0.871 0.000 0.865 1222 G HN -0.022 nan 8.290 nan 0.000 0.474 1223 L N 1.594 122.798 121.223 -0.032 0.000 2.641 1223 L HA 0.626 4.965 4.340 -0.002 0.000 0.261 1223 L C 0.170 177.180 176.870 0.232 0.000 0.926 1223 L CA -0.274 54.650 54.840 0.140 0.000 0.917 1223 L CB 1.961 44.152 42.059 0.219 0.000 1.361 1223 L HN 0.741 nan 8.230 nan 0.000 0.417 1224 G N 4.965 113.877 108.800 0.187 0.000 2.353 1224 G HA2 0.618 4.577 3.960 -0.002 0.000 0.284 1224 G HA3 0.618 4.577 3.960 -0.002 0.000 0.284 1224 G C -1.110 173.820 174.900 0.051 0.000 1.172 1224 G CA -0.301 44.869 45.100 0.116 0.000 0.854 1224 G HN 0.559 nan 8.290 nan 0.000 0.485 1225 L N 1.054 122.290 121.223 0.022 0.000 2.376 1225 L HA 0.357 4.695 4.340 -0.002 0.000 0.258 1225 L C -0.679 176.202 176.870 0.018 0.000 1.013 1225 L CA -1.106 53.729 54.840 -0.009 0.000 0.822 1225 L CB 2.711 44.779 42.059 0.015 0.000 1.388 1225 L HN 0.555 nan 8.230 nan 0.000 0.413 1226 D N -0.416 120.053 120.400 0.116 0.000 2.345 1226 D HA 0.065 4.704 4.640 -0.002 0.000 0.247 1226 D C 1.113 177.483 176.300 0.117 0.000 1.108 1226 D CA 0.057 54.137 54.000 0.133 0.000 0.894 1226 D CB 1.376 42.310 40.800 0.224 0.000 1.203 1226 D HN 0.555 nan 8.370 nan 0.000 0.430 1227 S N 1.465 117.123 115.700 -0.070 0.000 2.507 1227 S HA -0.189 4.280 4.470 -0.002 0.000 0.235 1227 S C 1.896 176.488 174.600 -0.014 0.000 0.988 1227 S CA 0.899 58.997 58.200 -0.169 0.000 0.944 1227 S CB -0.580 62.476 63.200 -0.239 0.000 0.762 1227 S HN 0.496 nan 8.310 nan 0.000 0.526 1228 S N 0.560 116.214 115.700 -0.077 0.000 2.465 1228 S HA -0.032 4.437 4.470 -0.002 0.000 0.241 1228 S C 1.222 175.617 174.600 -0.341 0.000 1.000 1228 S CA 0.614 58.684 58.200 -0.216 0.000 0.964 1228 S CB -0.946 61.933 63.200 -0.535 0.000 0.763 1228 S HN 0.580 nan 8.310 nan 0.000 0.512 1229 F N 1.147 121.015 119.950 -0.136 0.000 2.569 1229 F HA 0.462 4.988 4.527 -0.002 0.000 0.295 1229 F C 0.860 176.529 175.800 -0.219 0.000 1.115 1229 F CA -0.104 57.735 58.000 -0.269 0.000 1.450 1229 F CB 0.093 38.921 39.000 -0.287 0.000 1.107 1229 F HN 0.111 nan 8.300 nan 0.000 0.563 1230 L N 0.627 121.924 121.223 0.123 0.000 2.334 1230 L HA 0.478 4.817 4.340 -0.002 0.000 0.273 1230 L C -1.005 176.021 176.870 0.260 0.000 1.013 1230 L CA -1.146 53.815 54.840 0.202 0.000 0.816 1230 L CB 1.911 44.103 42.059 0.221 0.000 1.278 1230 L HN -0.195 nan 8.230 nan 0.000 0.431 1231 L N 2.248 123.589 121.223 0.197 0.000 2.296 1231 L HA 0.352 4.691 4.340 -0.002 0.000 0.286 1231 L C -0.101 176.867 176.870 0.164 0.000 1.023 1231 L CA 0.015 54.926 54.840 0.119 0.000 0.812 1231 L CB 1.282 43.313 42.059 -0.046 0.000 1.223 1231 L HN 0.505 nan 8.230 nan 0.000 0.421 1232 N N 3.734 122.472 118.700 0.063 0.000 2.402 1232 N HA 0.139 4.878 4.740 -0.002 0.000 0.259 1232 N C 0.832 176.431 175.510 0.148 0.000 1.167 1232 N CA -0.064 52.978 53.050 -0.014 0.000 0.949 1232 N CB 0.435 38.694 38.487 -0.381 0.000 1.212 1232 N HN 0.719 nan 8.380 nan 0.000 0.493 1233 L N 1.676 123.005 121.223 0.176 0.000 2.418 1233 L HA 0.020 4.358 4.340 -0.002 0.000 0.218 1233 L C 0.687 177.634 176.870 0.128 0.000 1.125 1233 L CA 0.370 55.354 54.840 0.239 0.000 0.835 1233 L CB -0.019 42.155 42.059 0.193 0.000 0.953 1233 L HN 0.516 nan 8.230 nan 0.000 0.454 1234 S N -1.149 114.594 115.700 0.071 0.000 2.080 1234 S HA 0.419 4.888 4.470 -0.002 0.000 0.162 1234 S C -0.498 174.109 174.600 0.012 0.000 1.618 1234 S CA -0.629 57.588 58.200 0.029 0.000 1.200 1234 S CB 0.591 63.812 63.200 0.035 0.000 1.135 1234 S HN 0.279 nan 8.310 nan 0.000 0.455 1235 D N 1.241 121.629 120.400 -0.020 0.000 3.351 1235 D HA -0.122 4.517 4.640 -0.002 0.000 0.108 1235 D C -0.886 175.379 176.300 -0.057 0.000 0.777 1235 D CA 0.037 54.020 54.000 -0.029 0.000 1.872 1235 D CB -0.728 40.078 40.800 0.011 0.000 0.405 1235 D HN 0.554 nan 8.370 nan 0.000 0.834 1236 R N 1.861 122.302 120.500 -0.099 0.000 2.408 1236 R HA 0.355 4.694 4.340 -0.002 0.000 0.308 1236 R C 1.179 177.430 176.300 -0.083 0.000 1.210 1236 R CA 0.032 56.037 56.100 -0.157 0.000 1.115 1236 R CB 0.564 30.560 30.300 -0.507 0.000 1.127 1236 R HN 0.248 nan 8.270 nan 0.000 0.523 1237 Q N 1.804 121.613 119.800 0.015 0.000 2.360 1237 Q HA 0.141 4.480 4.340 -0.002 0.000 0.202 1237 Q C 0.259 176.287 176.000 0.048 0.000 0.915 1237 Q CA 0.479 56.282 55.803 -0.001 0.000 0.943 1237 Q CB 0.568 29.280 28.738 -0.044 0.000 1.064 1237 Q HN 0.505 nan 8.270 nan 0.000 0.511 1238 L N 0.135 121.445 121.223 0.146 0.000 3.366 1238 L HA 0.268 4.607 4.340 -0.002 0.000 0.304 1238 L C -0.040 176.951 176.870 0.201 0.000 1.292 1238 L CA -0.537 54.392 54.840 0.148 0.000 1.012 1238 L CB 0.523 42.655 42.059 0.122 0.000 1.414 1238 L HN -0.076 nan 8.230 nan 0.000 0.603 1239 V N -2.200 117.782 119.914 0.113 0.000 2.924 1239 V HA 0.386 4.505 4.120 -0.002 0.000 0.305 1239 V C 0.132 176.298 176.094 0.121 0.000 1.073 1239 V CA -0.540 61.788 62.300 0.048 0.000 1.098 1239 V CB 0.318 32.038 31.823 -0.171 0.000 1.000 1239 V HN 0.419 nan 8.190 nan 0.000 0.484 1240 Y N 0.000 120.261 120.300 -0.064 0.000 2.660 1240 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 1240 Y CA 0.000 58.061 58.100 -0.065 0.000 1.940 1240 Y CB 0.000 38.429 38.460 -0.052 0.000 1.050 1240 Y HN 0.000 nan 8.280 nan 0.000 0.758