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 2c31_1_B DATA FIRST_RESID 7 DATA SEQUENCE VELTDGFHVL IDALKMNDID TMYGVVGIPI TNLARMWQDD GQRFYSFRHE DATA SEQUENCE QHAGYAASIA GYIEGKPGVC LTVSAPGFLN GVTSLAHATT NCFPMILLSG DATA SEQUENCE SSEREIVDLQ QGDYEEMDQM NVARPHCKAS FRINSIKDIP IGIARAVRTA DATA SEQUENCE VSGRPGGVYV DLPAKLFGQT ISVEEANKLL FKPIDPAPAQ IPAEDAIARA DATA SEQUENCE ADLIKNAKRP VIMLGKGAAY AQCDDEIRAL VEETGIPFLP MGMAKGLLPD DATA SEQUENCE NHPQSAAATR AFALAQCDVC VLIGARLNWL MQHGKGKTWG DELKKYVQID DATA SEQUENCE IQANEMDSNQ PIAAPVVGDI KSAVSLLRKA LKGAPKADAE WTGALKAKVD DATA SEQUENCE GNKAKLAGKM TAETPSGMMN YSNSLGVVRD FMLANPDISL VNEGANALDN DATA SEQUENCE TRMIVDMLKP RKRLDSGTWG VMGIGMGYCV AAAAVTGKPV IAVEGDSAFG DATA SEQUENCE FSGMELETIC RYNLPVTVII MNNGGIYKGN EADPQPGVIS CTRLTRGRYD DATA SEQUENCE MMMEAFGGKG YVANTPAELK AALEEAVASG KPCLINAMID PDAGVES 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.099 176.094 0.008 0.000 1.182 7 V CA 0.000 62.304 62.300 0.007 0.000 1.235 7 V CB 0.000 31.826 31.823 0.005 0.000 1.184 8 E N 1.471 121.674 120.200 0.006 0.000 2.289 8 E HA 0.560 4.911 4.350 0.001 0.000 0.278 8 E C -1.195 175.410 176.600 0.009 0.000 1.032 8 E CA -0.104 56.299 56.400 0.004 0.000 0.854 8 E CB 0.813 30.512 29.700 -0.002 0.000 1.046 8 E HN 0.416 nan 8.360 nan 0.000 0.409 9 L N 2.558 123.789 121.223 0.013 0.000 2.304 9 L HA 0.584 4.924 4.340 0.001 0.000 0.268 9 L C 0.360 177.246 176.870 0.027 0.000 1.010 9 L CA -0.760 54.095 54.840 0.025 0.000 0.813 9 L CB 2.032 44.111 42.059 0.034 0.000 1.315 9 L HN 0.501 nan 8.230 nan 0.000 0.445 10 T N -1.098 113.487 114.554 0.052 0.000 2.841 10 T HA 0.524 4.874 4.350 0.001 0.000 0.296 10 T C -1.871 172.917 174.700 0.146 0.000 1.166 10 T CA -0.572 61.578 62.100 0.082 0.000 1.007 10 T CB 1.799 70.707 68.868 0.066 0.000 1.253 10 T HN 0.785 nan 8.240 nan 0.000 0.511 11 D N -0.347 120.207 120.400 0.257 0.000 2.553 11 D HA 0.496 5.136 4.640 0.001 0.000 0.249 11 D C 1.473 177.895 176.300 0.203 0.000 1.062 11 D CA -0.131 54.006 54.000 0.229 0.000 1.085 11 D CB 0.226 41.203 40.800 0.294 0.000 1.350 11 D HN 0.668 nan 8.370 nan 0.000 0.575 12 G N -0.456 108.404 108.800 0.101 0.000 2.469 12 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 12 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 12 G C 1.238 176.198 174.900 0.101 0.000 1.150 12 G CA 0.562 45.673 45.100 0.019 0.000 0.763 12 G HN 0.429 nan 8.290 nan 0.000 0.561 13 F N 0.573 120.623 119.950 0.167 0.000 2.065 13 F HA -0.114 4.414 4.527 0.001 0.000 0.298 13 F C 2.770 178.552 175.800 -0.031 0.000 1.112 13 F CA 1.962 59.982 58.000 0.032 0.000 1.212 13 F CB -0.482 38.393 39.000 -0.209 0.000 0.975 13 F HN 0.201 nan 8.300 nan 0.000 0.476 14 H N -1.308 117.952 119.070 0.316 0.000 2.389 14 H HA -0.101 4.455 4.556 0.001 0.000 0.299 14 H C 2.206 177.629 175.328 0.159 0.000 1.081 14 H CA 1.351 57.522 56.048 0.204 0.000 1.345 14 H CB -0.389 29.463 29.762 0.149 0.000 1.393 14 H HN 0.034 nan 8.280 nan 0.000 0.520 15 V N 0.597 120.656 119.914 0.243 0.000 2.427 15 V HA -0.193 3.927 4.120 0.001 0.000 0.248 15 V C 2.253 178.426 176.094 0.130 0.000 1.051 15 V CA 1.340 63.733 62.300 0.155 0.000 1.048 15 V CB -0.426 31.461 31.823 0.105 0.000 0.666 15 V HN 0.286 nan 8.190 nan 0.000 0.456 16 L N -0.071 121.234 121.223 0.138 0.000 2.072 16 L HA -0.048 4.292 4.340 0.001 0.000 0.205 16 L C 2.138 179.105 176.870 0.161 0.000 1.079 16 L CA 1.774 56.684 54.840 0.117 0.000 0.752 16 L CB -0.470 41.667 42.059 0.131 0.000 0.906 16 L HN 0.201 nan 8.230 nan 0.000 0.436 17 I N -0.217 120.493 120.570 0.233 0.000 2.226 17 I HA -0.284 3.886 4.170 0.001 0.000 0.245 17 I C 1.955 178.256 176.117 0.306 0.000 1.100 17 I CA 1.386 62.903 61.300 0.362 0.000 1.374 17 I CB -0.516 37.712 38.000 0.381 0.000 1.057 17 I HN 0.297 nan 8.210 nan 0.000 0.413 18 D N 0.977 121.502 120.400 0.208 0.000 2.144 18 D HA -0.113 4.527 4.640 0.001 0.000 0.200 18 D C 2.252 178.614 176.300 0.103 0.000 0.978 18 D CA 1.458 55.544 54.000 0.143 0.000 0.833 18 D CB -0.101 40.769 40.800 0.116 0.000 0.961 18 D HN 0.347 nan 8.370 nan 0.000 0.470 19 A N 0.684 123.555 122.820 0.085 0.000 1.930 19 A HA -0.092 4.228 4.320 0.001 0.000 0.217 19 A C 2.384 179.987 177.584 0.033 0.000 1.175 19 A CA 0.776 52.824 52.037 0.018 0.000 0.627 19 A CB -0.667 18.330 19.000 -0.004 0.000 0.815 19 A HN 0.175 nan 8.150 nan 0.000 0.443 20 L N -0.795 120.494 121.223 0.111 0.000 2.027 20 L HA -0.183 4.157 4.340 0.001 0.000 0.206 20 L C 2.560 179.554 176.870 0.206 0.000 1.074 20 L CA 1.707 56.638 54.840 0.151 0.000 0.745 20 L CB -0.413 41.752 42.059 0.176 0.000 0.898 20 L HN 0.318 nan 8.230 nan 0.000 0.433 21 K N -0.579 119.965 120.400 0.241 0.000 2.097 21 K HA -0.206 4.114 4.320 0.001 0.000 0.206 21 K C 2.055 178.699 176.600 0.072 0.000 1.049 21 K CA 1.447 57.824 56.287 0.150 0.000 0.933 21 K CB -0.198 32.355 32.500 0.089 0.000 0.717 21 K HN 0.088 nan 8.250 nan 0.000 0.442 22 M N 1.424 121.051 119.600 0.044 0.000 2.202 22 M HA -0.142 4.339 4.480 0.001 0.000 0.262 22 M C 0.796 177.079 176.300 -0.028 0.000 1.063 22 M CA 1.578 56.872 55.300 -0.010 0.000 1.097 22 M CB 0.077 32.643 32.600 -0.057 0.000 1.382 22 M HN 0.050 nan 8.290 nan 0.000 0.413 23 N N 0.338 119.030 118.700 -0.013 0.000 2.276 23 N HA -0.006 4.734 4.740 0.001 0.000 0.212 23 N C -0.632 174.897 175.510 0.031 0.000 1.127 23 N CA 0.368 53.410 53.050 -0.014 0.000 0.834 23 N CB 0.143 38.613 38.487 -0.027 0.000 1.014 23 N HN 0.339 nan 8.380 nan 0.000 0.491 24 D N 0.593 121.020 120.400 0.046 0.000 2.981 24 D HA -0.149 4.491 4.640 0.001 0.000 0.223 24 D C -0.334 176.025 176.300 0.098 0.000 1.151 24 D CA 0.690 54.725 54.000 0.058 0.000 0.827 24 D CB -1.033 39.791 40.800 0.039 0.000 1.101 24 D HN 0.289 nan 8.370 nan 0.000 0.426 25 I N 1.430 122.093 120.570 0.154 0.000 2.331 25 I HA 0.150 4.320 4.170 0.001 0.000 0.292 25 I C 1.298 177.615 176.117 0.333 0.000 0.998 25 I CA 0.002 61.443 61.300 0.235 0.000 1.267 25 I CB 1.317 39.468 38.000 0.252 0.000 1.386 25 I HN -0.075 nan 8.210 nan 0.000 0.476 26 D N 1.846 122.412 120.400 0.277 0.000 2.520 26 D HA 0.099 4.740 4.640 0.001 0.000 0.223 26 D C -0.020 176.454 176.300 0.290 0.000 1.186 26 D CA -0.026 54.079 54.000 0.176 0.000 0.821 26 D CB 0.649 41.472 40.800 0.038 0.000 1.072 26 D HN 0.326 nan 8.370 nan 0.000 0.518 27 T N 0.310 115.105 114.554 0.401 0.000 2.933 27 T HA 0.567 4.918 4.350 0.001 0.000 0.305 27 T C -0.856 173.937 174.700 0.155 0.000 1.092 27 T CA -0.635 61.633 62.100 0.279 0.000 1.008 27 T CB 1.996 70.908 68.868 0.073 0.000 1.102 27 T HN -0.019 nan 8.240 nan 0.000 0.469 28 M N 2.309 121.909 119.600 -0.000 0.000 2.501 28 M HA 0.513 4.994 4.480 0.001 0.000 0.293 28 M C -1.798 174.197 176.300 -0.509 0.000 1.192 28 M CA -0.833 54.358 55.300 -0.181 0.000 0.886 28 M CB 2.563 35.065 32.600 -0.165 0.000 1.710 28 M HN 0.620 nan 8.290 nan 0.000 0.457 29 Y N 0.104 120.316 120.300 -0.146 0.000 2.393 29 Y HA 0.858 5.408 4.550 0.001 0.000 0.341 29 Y C 0.529 176.289 175.900 -0.232 0.000 0.988 29 Y CA -0.481 57.527 58.100 -0.152 0.000 1.078 29 Y CB 2.235 40.663 38.460 -0.052 0.000 1.203 29 Y HN 0.847 nan 8.280 nan 0.000 0.453 30 G N 0.326 109.090 108.800 -0.059 0.000 2.341 30 G HA2 0.497 4.457 3.960 0.001 0.000 0.299 30 G HA3 0.497 4.457 3.960 0.001 0.000 0.299 30 G C -2.331 172.783 174.900 0.358 0.000 1.274 30 G CA -0.732 44.458 45.100 0.150 0.000 0.853 30 G HN 0.439 nan 8.290 nan 0.000 0.493 31 V N 0.605 120.734 119.914 0.359 0.000 2.686 31 V HA 0.661 4.781 4.120 0.001 0.000 0.306 31 V C 0.616 176.874 176.094 0.273 0.000 1.065 31 V CA -0.414 62.079 62.300 0.321 0.000 0.894 31 V CB 1.256 33.199 31.823 0.199 0.000 1.004 31 V HN 1.363 nan 8.190 nan 0.000 0.424 32 V N 2.098 122.151 119.914 0.231 0.000 3.369 32 V HA 1.124 5.245 4.120 0.001 0.000 0.309 32 V C 0.477 176.626 176.094 0.092 0.000 1.069 32 V CA 0.436 62.808 62.300 0.120 0.000 1.042 32 V CB 1.204 33.046 31.823 0.032 0.000 1.192 32 V HN 1.762 nan 8.190 nan 0.000 0.447 33 G N -0.115 108.720 108.800 0.060 0.000 2.369 33 G HA2 0.140 4.101 3.960 0.001 0.000 0.295 33 G HA3 0.140 4.101 3.960 0.001 0.000 0.295 33 G C -0.946 173.998 174.900 0.075 0.000 1.298 33 G CA -0.633 44.509 45.100 0.069 0.000 0.940 33 G HN 1.030 nan 8.290 nan 0.000 0.536 34 I N 2.036 122.664 120.570 0.096 0.000 2.683 34 I HA 0.207 4.377 4.170 0.001 0.000 0.286 34 I C -1.241 174.986 176.117 0.183 0.000 1.175 34 I CA -0.782 60.580 61.300 0.103 0.000 1.429 34 I CB 1.143 39.163 38.000 0.033 0.000 1.371 34 I HN 0.343 nan 8.210 nan 0.000 0.569 35 P HA 0.188 nan 4.420 nan 0.000 0.289 35 P C 0.265 177.586 177.300 0.036 0.000 1.599 35 P CA -0.012 63.160 63.100 0.121 0.000 1.239 35 P CB 0.071 31.886 31.700 0.192 0.000 1.581 36 I N -4.859 115.710 120.570 -0.001 0.000 3.974 36 I HA 0.281 4.452 4.170 0.001 0.000 0.334 36 I C 1.343 177.381 176.117 -0.132 0.000 1.437 36 I CA 0.007 61.228 61.300 -0.132 0.000 1.113 36 I CB -1.296 36.672 38.000 -0.052 0.000 1.063 36 I HN -0.378 nan 8.210 nan 0.000 0.400 37 T N 1.280 115.778 114.554 -0.093 0.000 2.720 37 T HA -0.121 4.229 4.350 0.001 0.000 0.268 37 T C 1.652 176.230 174.700 -0.203 0.000 1.037 37 T CA 2.003 64.025 62.100 -0.128 0.000 1.144 37 T CB -0.409 68.411 68.868 -0.080 0.000 0.864 37 T HN 0.456 nan 8.240 nan 0.000 0.444 38 N N 1.040 119.602 118.700 -0.231 0.000 2.459 38 N HA 0.023 4.763 4.740 0.001 0.000 0.181 38 N C 1.683 176.900 175.510 -0.488 0.000 1.046 38 N CA 0.353 53.158 53.050 -0.408 0.000 0.904 38 N CB -0.238 37.889 38.487 -0.601 0.000 0.964 38 N HN 0.263 nan 8.380 nan 0.000 0.444 39 L N 1.112 122.178 121.223 -0.263 0.000 2.072 39 L HA 0.099 4.439 4.340 0.001 0.000 0.205 39 L C 2.125 178.904 176.870 -0.151 0.000 1.079 39 L CA 1.237 56.015 54.840 -0.103 0.000 0.752 39 L CB -0.745 41.250 42.059 -0.107 0.000 0.906 39 L HN 0.046 nan 8.230 nan 0.000 0.436 40 A N -0.307 122.337 122.820 -0.293 0.000 1.898 40 A HA -0.182 4.139 4.320 0.001 0.000 0.216 40 A C 2.418 179.846 177.584 -0.260 0.000 1.181 40 A CA 1.612 53.356 52.037 -0.489 0.000 0.620 40 A CB -0.496 17.888 19.000 -1.026 0.000 0.819 40 A HN 0.483 nan 8.150 nan 0.000 0.442 41 R N -1.012 119.348 120.500 -0.233 0.000 2.073 41 R HA -0.062 4.279 4.340 0.001 0.000 0.234 41 R C 2.269 178.515 176.300 -0.091 0.000 1.134 41 R CA 1.859 57.867 56.100 -0.153 0.000 0.952 41 R CB -0.390 29.806 30.300 -0.173 0.000 0.850 41 R HN 0.532 nan 8.270 nan 0.000 0.433 42 M N -0.655 118.874 119.600 -0.119 0.000 2.213 42 M HA -0.206 4.274 4.480 0.001 0.000 0.263 42 M C 2.088 178.433 176.300 0.075 0.000 1.062 42 M CA 1.322 56.583 55.300 -0.064 0.000 1.105 42 M CB -0.295 32.195 32.600 -0.184 0.000 1.385 42 M HN 0.420 nan 8.290 nan 0.000 0.417 43 W N 1.567 122.808 121.300 -0.098 0.000 2.358 43 W HA -0.214 4.447 4.660 0.001 0.000 0.303 43 W C 1.843 178.349 176.519 -0.021 0.000 1.208 43 W CA 1.516 58.843 57.345 -0.031 0.000 1.274 43 W CB -0.224 29.230 29.460 -0.010 0.000 1.138 43 W HN 0.301 nan 8.180 nan 0.000 0.515 44 Q N 0.015 119.866 119.800 0.084 0.000 2.083 44 Q HA -0.188 4.153 4.340 0.001 0.000 0.198 44 Q C 1.703 177.662 176.000 -0.068 0.000 0.969 44 Q CA 1.628 57.415 55.803 -0.027 0.000 0.838 44 Q CB -0.399 28.352 28.738 0.022 0.000 0.900 44 Q HN 0.129 nan 8.270 nan 0.000 0.436 45 D N 0.979 121.355 120.400 -0.040 0.000 2.149 45 D HA -0.176 4.464 4.640 0.001 0.000 0.198 45 D C 1.347 177.617 176.300 -0.051 0.000 0.990 45 D CA 1.065 55.042 54.000 -0.039 0.000 0.839 45 D CB -0.285 40.499 40.800 -0.026 0.000 0.948 45 D HN 0.250 nan 8.370 nan 0.000 0.460 46 D N -0.629 119.731 120.400 -0.067 0.000 2.348 46 D HA -0.053 4.588 4.640 0.001 0.000 0.216 46 D C 1.220 177.423 176.300 -0.161 0.000 0.970 46 D CA 1.102 55.048 54.000 -0.089 0.000 0.889 46 D CB 0.332 41.087 40.800 -0.075 0.000 0.912 46 D HN 0.308 nan 8.370 nan 0.000 0.524 47 G N 0.657 109.341 108.800 -0.193 0.000 2.179 47 G HA2 -0.186 3.774 3.960 0.001 0.000 0.220 47 G HA3 -0.186 3.774 3.960 0.001 0.000 0.220 47 G C 0.197 174.915 174.900 -0.302 0.000 0.990 47 G CA -0.200 44.781 45.100 -0.198 0.000 0.646 47 G HN 0.276 nan 8.290 nan 0.000 0.517 48 Q N 0.263 119.742 119.800 -0.535 0.000 2.212 48 Q HA 0.598 4.939 4.340 0.001 0.000 0.238 48 Q C 0.740 176.463 176.000 -0.462 0.000 0.955 48 Q CA -0.498 54.854 55.803 -0.751 0.000 0.906 48 Q CB 0.960 28.564 28.738 -1.889 0.000 1.215 48 Q HN 0.787 nan 8.270 nan 0.000 0.478 49 R N -0.178 120.198 120.500 -0.208 0.000 2.474 49 R HA 0.690 5.030 4.340 0.001 0.000 0.295 49 R C -1.030 175.382 176.300 0.186 0.000 0.980 49 R CA -0.527 55.531 56.100 -0.070 0.000 0.934 49 R CB 0.866 31.048 30.300 -0.197 0.000 1.101 49 R HN 0.443 nan 8.270 nan 0.000 0.469 50 F N 2.663 122.565 119.950 -0.081 0.000 2.536 50 F HA 0.385 4.912 4.527 0.001 0.000 0.322 50 F C -1.528 174.137 175.800 -0.224 0.000 1.144 50 F CA -1.058 56.948 58.000 0.011 0.000 0.924 50 F CB 1.446 40.553 39.000 0.178 0.000 1.181 50 F HN 0.486 nan 8.300 nan 0.000 0.438 51 Y N 3.708 123.687 120.300 -0.536 0.000 2.353 51 Y HA 0.385 4.935 4.550 0.001 0.000 0.340 51 Y C 0.415 176.192 175.900 -0.205 0.000 0.972 51 Y CA -0.386 57.427 58.100 -0.477 0.000 1.157 51 Y CB 1.515 39.727 38.460 -0.414 0.000 1.157 51 Y HN 0.415 nan 8.280 nan 0.000 0.495 52 S N 4.534 120.417 115.700 0.305 0.000 2.475 52 S HA 0.462 4.932 4.470 0.001 0.000 0.281 52 S C -0.550 174.226 174.600 0.295 0.000 1.198 52 S CA -0.543 57.910 58.200 0.422 0.000 1.063 52 S CB 0.104 63.590 63.200 0.477 0.000 0.972 52 S HN 0.379 nan 8.310 nan 0.000 0.486 53 F N 1.776 121.875 119.950 0.249 0.000 2.452 53 F HA 0.536 5.063 4.527 0.001 0.000 0.353 53 F C 1.770 177.680 175.800 0.183 0.000 1.089 53 F CA -0.935 57.198 58.000 0.221 0.000 1.080 53 F CB 0.580 39.705 39.000 0.208 0.000 1.399 53 F HN 0.315 nan 8.300 nan 0.000 0.492 54 R N -0.452 120.271 120.500 0.371 0.000 2.308 54 R HA 0.114 4.454 4.340 0.001 0.000 0.202 54 R C -0.431 176.042 176.300 0.290 0.000 0.898 54 R CA 0.392 56.640 56.100 0.247 0.000 1.046 54 R CB -0.348 30.044 30.300 0.152 0.000 1.026 54 R HN 0.486 nan 8.270 nan 0.000 0.512 55 H N -0.203 119.004 119.070 0.228 0.000 3.086 55 H HA 0.157 4.714 4.556 0.001 0.000 0.353 55 H C -0.193 175.142 175.328 0.012 0.000 1.134 55 H CA -0.211 55.894 56.048 0.094 0.000 1.248 55 H CB 1.684 31.483 29.762 0.061 0.000 1.878 55 H HN -0.226 nan 8.280 nan 0.000 0.527 56 E N 2.211 122.407 120.200 -0.006 0.000 2.204 56 E HA -0.182 4.168 4.350 0.001 0.000 0.195 56 E C 1.864 178.398 176.600 -0.111 0.000 0.990 56 E CA 1.280 57.661 56.400 -0.032 0.000 0.821 56 E CB 0.205 29.851 29.700 -0.090 0.000 0.750 56 E HN 0.619 nan 8.360 nan 0.000 0.477 57 Q N -0.093 119.682 119.800 -0.041 0.000 2.135 57 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 57 Q C 1.350 176.945 176.000 -0.675 0.000 0.981 57 Q CA 1.305 56.799 55.803 -0.516 0.000 0.856 57 Q CB 0.055 28.354 28.738 -0.731 0.000 0.902 57 Q HN 0.466 nan 8.270 nan 0.000 0.425 58 H N -1.011 117.917 119.070 -0.236 0.000 2.512 58 H HA 0.152 4.708 4.556 0.001 0.000 0.279 58 H C 1.795 176.741 175.328 -0.637 0.000 0.999 58 H CA 0.884 56.807 56.048 -0.209 0.000 1.283 58 H CB 0.011 29.798 29.762 0.042 0.000 1.421 58 H HN 0.404 nan 8.280 nan 0.000 0.554 59 A N 0.819 123.138 122.820 -0.834 0.000 1.898 59 A HA -0.047 4.274 4.320 0.001 0.000 0.216 59 A C 2.763 180.011 177.584 -0.562 0.000 1.181 59 A CA 1.485 52.788 52.037 -1.224 0.000 0.620 59 A CB -0.984 17.676 19.000 -0.566 0.000 0.819 59 A HN 0.433 nan 8.150 nan 0.000 0.442 60 G N -1.949 106.635 108.800 -0.360 0.000 2.408 60 G HA2 -0.168 3.793 3.960 0.001 0.000 0.217 60 G HA3 -0.168 3.793 3.960 0.001 0.000 0.217 60 G C 1.504 176.351 174.900 -0.087 0.000 1.150 60 G CA 0.950 45.921 45.100 -0.215 0.000 0.776 60 G HN 0.627 nan 8.290 nan 0.000 0.542 61 Y N 0.898 121.139 120.300 -0.099 0.000 2.242 61 Y HA -0.027 4.523 4.550 0.001 0.000 0.291 61 Y C 3.203 179.150 175.900 0.078 0.000 1.137 61 Y CA 0.286 58.419 58.100 0.054 0.000 1.181 61 Y CB 0.101 38.551 38.460 -0.017 0.000 0.989 61 Y HN 0.296 nan 8.280 nan 0.000 0.527 62 A N 0.368 123.160 122.820 -0.047 0.000 1.877 62 A HA -0.192 4.128 4.320 0.001 0.000 0.216 62 A C 2.393 179.652 177.584 -0.542 0.000 1.186 62 A CA 1.690 53.525 52.037 -0.336 0.000 0.620 62 A CB -1.154 17.453 19.000 -0.655 0.000 0.822 62 A HN 0.419 nan 8.150 nan 0.000 0.443 63 A N 0.399 122.918 122.820 -0.502 0.000 1.908 63 A HA -0.145 4.176 4.320 0.001 0.000 0.218 63 A C 2.554 180.121 177.584 -0.027 0.000 1.181 63 A CA 2.638 54.540 52.037 -0.225 0.000 0.627 63 A CB -1.098 17.897 19.000 -0.009 0.000 0.818 63 A HN 1.066 nan 8.150 nan 0.000 0.445 64 S N -0.509 115.245 115.700 0.089 0.000 2.368 64 S HA -0.142 4.328 4.470 0.001 0.000 0.225 64 S C 1.790 176.422 174.600 0.054 0.000 1.030 64 S CA 1.528 59.861 58.200 0.222 0.000 0.999 64 S CB -0.486 63.006 63.200 0.487 0.000 0.844 64 S HN 0.361 nan 8.310 nan 0.000 0.459 65 I N 2.138 122.646 120.570 -0.104 0.000 2.761 65 I HA 0.258 4.429 4.170 0.001 0.000 0.261 65 I C 2.465 178.428 176.117 -0.257 0.000 1.198 65 I CA 0.323 61.368 61.300 -0.424 0.000 1.482 65 I CB -0.737 36.728 38.000 -0.892 0.000 1.100 65 I HN 0.365 nan 8.210 nan 0.000 0.445 66 A N -0.002 122.722 122.820 -0.160 0.000 1.969 66 A HA -0.020 4.301 4.320 0.001 0.000 0.218 66 A C 2.399 179.973 177.584 -0.017 0.000 1.169 66 A CA 1.446 53.449 52.037 -0.057 0.000 0.635 66 A CB -1.467 17.559 19.000 0.044 0.000 0.810 66 A HN 0.442 nan 8.150 nan 0.000 0.445 67 G N -1.664 107.136 108.800 0.000 0.000 2.408 67 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 67 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 67 G C 1.526 176.474 174.900 0.080 0.000 1.150 67 G CA 1.203 46.342 45.100 0.066 0.000 0.776 67 G HN 0.594 nan 8.290 nan 0.000 0.542 68 Y N 1.350 121.487 120.300 -0.272 0.000 2.200 68 Y HA -0.022 4.528 4.550 0.001 0.000 0.290 68 Y C 2.479 178.309 175.900 -0.116 0.000 1.137 68 Y CA 1.256 59.163 58.100 -0.322 0.000 1.163 68 Y CB -0.182 37.600 38.460 -1.129 0.000 0.988 68 Y HN 0.186 nan 8.280 nan 0.000 0.518 69 I N 0.167 120.569 120.570 -0.280 0.000 2.252 69 I HA -0.238 3.932 4.170 0.001 0.000 0.245 69 I C 1.948 177.913 176.117 -0.254 0.000 1.102 69 I CA 1.853 62.960 61.300 -0.322 0.000 1.385 69 I CB -0.341 37.567 38.000 -0.154 0.000 1.064 69 I HN 0.266 nan 8.210 nan 0.000 0.414 70 E N 0.234 120.349 120.200 -0.143 0.000 2.400 70 E HA 0.098 4.448 4.350 0.001 0.000 0.195 70 E C 1.459 177.984 176.600 -0.125 0.000 1.012 70 E CA 0.596 56.931 56.400 -0.107 0.000 0.875 70 E CB 0.356 30.039 29.700 -0.028 0.000 0.859 70 E HN 0.555 nan 8.360 nan 0.000 0.498 71 G N 2.657 111.394 108.800 -0.105 0.000 2.148 71 G HA2 -0.322 3.638 3.960 0.001 0.000 0.254 71 G HA3 -0.322 3.638 3.960 0.001 0.000 0.254 71 G C 0.092 175.017 174.900 0.043 0.000 0.981 71 G CA 0.885 45.918 45.100 -0.112 0.000 0.670 71 G HN 0.338 nan 8.290 nan 0.000 0.528 72 K N -0.158 120.282 120.400 0.067 0.000 2.422 72 K HA 0.699 5.019 4.320 0.001 0.000 0.251 72 K C -2.919 173.747 176.600 0.110 0.000 0.933 72 K CA -2.319 54.018 56.287 0.084 0.000 0.798 72 K CB 3.096 35.632 32.500 0.058 0.000 1.238 72 K HN -0.018 nan 8.250 nan 0.000 0.428 73 P HA -0.064 nan 4.420 nan 0.000 0.260 73 P C -0.022 177.358 177.300 0.134 0.000 1.172 73 P CA 0.388 63.563 63.100 0.124 0.000 0.760 73 P CB 0.482 32.250 31.700 0.113 0.000 0.773 74 G N 2.622 111.508 108.800 0.143 0.000 2.415 74 G HA2 0.428 4.388 3.960 0.001 0.000 0.269 74 G HA3 0.428 4.388 3.960 0.001 0.000 0.269 74 G C -0.595 174.417 174.900 0.187 0.000 1.209 74 G CA -0.427 44.784 45.100 0.185 0.000 0.835 74 G HN 0.396 nan 8.290 nan 0.000 0.534 75 V N 1.286 121.340 119.914 0.232 0.000 2.417 75 V HA 0.420 4.540 4.120 0.001 0.000 0.291 75 V C -0.104 176.107 176.094 0.195 0.000 1.024 75 V CA -0.911 61.487 62.300 0.164 0.000 0.861 75 V CB 1.339 33.210 31.823 0.079 0.000 0.985 75 V HN 0.900 nan 8.190 nan 0.000 0.436 76 C N 7.141 126.527 119.300 0.144 0.000 2.379 76 C HA 0.822 5.283 4.460 0.001 0.000 0.323 76 C C -0.653 174.412 174.990 0.126 0.000 1.262 76 C CA -0.597 58.495 59.018 0.124 0.000 1.581 76 C CB 0.574 28.359 27.740 0.075 0.000 2.221 76 C HN 0.849 nan 8.230 nan 0.000 0.497 77 L N 6.817 128.128 121.223 0.146 0.000 2.341 77 L HA 0.873 5.213 4.340 0.001 0.000 0.278 77 L C 0.267 177.263 176.870 0.209 0.000 1.005 77 L CA 0.594 55.548 54.840 0.190 0.000 0.818 77 L CB 1.932 44.146 42.059 0.257 0.000 1.259 77 L HN 0.975 nan 8.230 nan 0.000 0.418 78 T N 1.814 116.489 114.554 0.200 0.000 2.812 78 T HA 0.736 5.087 4.350 0.001 0.000 0.294 78 T C 0.047 174.859 174.700 0.187 0.000 1.159 78 T CA -0.138 62.072 62.100 0.183 0.000 1.008 78 T CB 0.913 69.879 68.868 0.163 0.000 1.289 78 T HN 0.751 nan 8.240 nan 0.000 0.514 79 V N 0.073 120.084 119.914 0.162 0.000 3.665 79 V HA 0.753 4.873 4.120 0.001 0.000 0.279 79 V C 0.910 177.109 176.094 0.175 0.000 1.000 79 V CA -0.234 62.164 62.300 0.163 0.000 0.935 79 V CB 0.132 32.042 31.823 0.145 0.000 1.240 79 V HN 1.314 nan 8.190 nan 0.000 0.418 80 S N -0.172 115.617 115.700 0.148 0.000 2.640 80 S HA 0.613 5.084 4.470 0.001 0.000 0.262 80 S C 1.420 176.072 174.600 0.087 0.000 1.232 80 S CA 0.081 58.345 58.200 0.107 0.000 0.988 80 S CB 0.288 63.531 63.200 0.071 0.000 1.034 80 S HN 2.339 nan 8.310 nan 0.000 0.569 81 A N 1.934 124.790 122.820 0.060 0.000 3.315 81 A HA -0.282 4.038 4.320 0.001 0.000 0.311 81 A C 0.135 177.777 177.584 0.097 0.000 2.852 81 A CA 2.572 54.654 52.037 0.076 0.000 0.940 81 A CB -3.067 15.909 19.000 -0.040 0.000 0.861 81 A HN 0.818 nan 8.150 nan 0.000 0.392 82 P HA -0.063 nan 4.420 nan 0.000 0.218 82 P C 1.651 178.928 177.300 -0.038 0.000 1.149 82 P CA 2.176 65.260 63.100 -0.026 0.000 0.817 82 P CB -0.677 30.989 31.700 -0.057 0.000 0.785 83 G N -0.234 108.566 108.800 0.000 0.000 2.402 83 G HA2 -0.266 3.694 3.960 0.001 0.000 0.216 83 G HA3 -0.266 3.694 3.960 0.001 0.000 0.216 83 G C 1.393 176.304 174.900 0.019 0.000 1.162 83 G CA 0.409 45.504 45.100 -0.009 0.000 0.777 83 G HN 0.208 nan 8.290 nan 0.000 0.539 84 F N 1.426 121.353 119.950 -0.037 0.000 2.095 84 F HA -0.036 4.491 4.527 0.001 0.000 0.298 84 F C 2.342 178.083 175.800 -0.098 0.000 1.104 84 F CA 1.266 59.238 58.000 -0.047 0.000 1.232 84 F CB -0.427 38.545 39.000 -0.046 0.000 0.987 84 F HN 0.050 nan 8.300 nan 0.000 0.475 85 L N 0.346 121.328 121.223 -0.401 0.000 2.042 85 L HA -0.293 4.047 4.340 0.001 0.000 0.210 85 L C 2.344 178.978 176.870 -0.393 0.000 1.076 85 L CA 1.571 56.112 54.840 -0.498 0.000 0.749 85 L CB -0.894 41.045 42.059 -0.199 0.000 0.893 85 L HN 0.231 nan 8.230 nan 0.000 0.432 86 N N 0.294 118.844 118.700 -0.250 0.000 2.104 86 N HA -0.143 4.597 4.740 0.001 0.000 0.190 86 N C 1.772 177.133 175.510 -0.248 0.000 1.024 86 N CA 1.634 54.577 53.050 -0.179 0.000 0.853 86 N CB -0.605 37.785 38.487 -0.161 0.000 1.008 86 N HN 0.356 nan 8.380 nan 0.000 0.424 87 G N 0.116 108.760 108.800 -0.259 0.000 2.448 87 G HA2 -0.126 3.834 3.960 0.001 0.000 0.218 87 G HA3 -0.126 3.834 3.960 0.001 0.000 0.218 87 G C 1.572 176.295 174.900 -0.294 0.000 1.135 87 G CA 0.309 45.265 45.100 -0.239 0.000 0.784 87 G HN 0.255 nan 8.290 nan 0.000 0.543 88 V N 1.878 121.506 119.914 -0.477 0.000 2.759 88 V HA -0.127 3.993 4.120 0.001 0.000 0.256 88 V C 3.228 179.098 176.094 -0.373 0.000 1.080 88 V CA 2.665 64.674 62.300 -0.485 0.000 1.101 88 V CB -0.524 30.795 31.823 -0.840 0.000 0.698 88 V HN 0.620 nan 8.190 nan 0.000 0.477 89 T N -3.037 111.304 114.554 -0.355 0.000 2.821 89 T HA -0.148 4.202 4.350 0.001 0.000 0.267 89 T C 1.935 176.568 174.700 -0.111 0.000 1.046 89 T CA 1.780 63.731 62.100 -0.249 0.000 1.139 89 T CB -0.478 68.251 68.868 -0.232 0.000 0.871 89 T HN 0.470 nan 8.240 nan 0.000 0.454 90 S N 1.507 117.066 115.700 -0.234 0.000 2.387 90 S HA 0.120 4.590 4.470 0.001 0.000 0.226 90 S C 1.805 176.465 174.600 0.100 0.000 1.026 90 S CA 0.715 58.829 58.200 -0.142 0.000 0.972 90 S CB -0.515 62.442 63.200 -0.405 0.000 0.814 90 S HN 0.349 nan 8.310 nan 0.000 0.477 91 L N 2.019 123.245 121.223 0.005 0.000 2.083 91 L HA 0.041 4.381 4.340 0.001 0.000 0.209 91 L C 2.310 179.212 176.870 0.053 0.000 1.083 91 L CA 1.594 56.464 54.840 0.050 0.000 0.752 91 L CB -0.870 41.213 42.059 0.040 0.000 0.899 91 L HN 0.255 nan 8.230 nan 0.000 0.433 92 A N -1.311 121.543 122.820 0.056 0.000 1.930 92 A HA -0.283 4.038 4.320 0.001 0.000 0.217 92 A C 2.245 179.762 177.584 -0.111 0.000 1.175 92 A CA 1.642 53.733 52.037 0.090 0.000 0.627 92 A CB -1.002 18.137 19.000 0.232 0.000 0.815 92 A HN 0.735 nan 8.150 nan 0.000 0.443 93 H N 0.088 119.128 119.070 -0.050 0.000 2.353 93 H HA 0.040 4.596 4.556 0.001 0.000 0.300 93 H C 2.072 177.239 175.328 -0.268 0.000 1.090 93 H CA 2.034 57.987 56.048 -0.158 0.000 1.327 93 H CB -0.302 29.607 29.762 0.244 0.000 1.383 93 H HN 0.355 nan 8.280 nan 0.000 0.508 94 A N -0.300 122.398 122.820 -0.202 0.000 1.877 94 A HA -0.182 4.138 4.320 0.001 0.000 0.216 94 A C 2.519 179.890 177.584 -0.357 0.000 1.186 94 A CA 2.140 54.031 52.037 -0.244 0.000 0.620 94 A CB -1.160 17.880 19.000 0.067 0.000 0.822 94 A HN 0.593 nan 8.150 nan 0.000 0.443 95 T N -0.961 113.443 114.554 -0.251 0.000 2.720 95 T HA -0.141 4.209 4.350 0.001 0.000 0.268 95 T C 2.045 176.522 174.700 -0.372 0.000 1.037 95 T CA 1.971 63.929 62.100 -0.236 0.000 1.144 95 T CB -0.513 68.280 68.868 -0.125 0.000 0.864 95 T HN 0.586 nan 8.240 nan 0.000 0.444 96 T N 1.434 115.644 114.554 -0.573 0.000 2.951 96 T HA -0.022 4.328 4.350 0.001 0.000 0.268 96 T C 1.756 176.073 174.700 -0.638 0.000 1.073 96 T CA 0.755 62.456 62.100 -0.664 0.000 1.134 96 T CB -0.290 67.858 68.868 -1.201 0.000 0.884 96 T HN 0.254 nan 8.240 nan 0.000 0.479 97 N N -0.084 118.121 118.700 -0.826 0.000 2.353 97 N HA 0.072 4.813 4.740 0.001 0.000 0.185 97 N C 0.345 175.328 175.510 -0.878 0.000 1.098 97 N CA 0.441 52.870 53.050 -1.035 0.000 0.872 97 N CB -0.099 37.276 38.487 -1.852 0.000 0.970 97 N HN 0.393 nan 8.380 nan 0.000 0.467 98 C N 0.788 119.756 119.300 -0.555 0.000 4.529 98 C HA -0.174 4.286 4.460 0.001 0.000 0.296 98 C C 0.092 174.995 174.990 -0.145 0.000 1.353 98 C CA -0.355 58.481 59.018 -0.304 0.000 2.011 98 C CB -3.247 24.349 27.740 -0.239 0.000 1.235 98 C HN 0.279 nan 8.230 nan 0.000 0.784 99 F N 2.193 121.997 119.950 -0.243 0.000 2.420 99 F HA 0.446 4.974 4.527 0.001 0.000 0.342 99 F C -1.424 174.319 175.800 -0.095 0.000 1.113 99 F CA -2.550 55.348 58.000 -0.171 0.000 1.059 99 F CB 1.537 40.472 39.000 -0.109 0.000 1.128 99 F HN 0.000 nan 8.300 nan 0.000 0.475 100 P HA 0.131 nan 4.420 nan 0.000 0.276 100 P C -0.896 176.490 177.300 0.143 0.000 1.243 100 P CA -0.102 63.075 63.100 0.128 0.000 0.768 100 P CB 1.736 33.529 31.700 0.156 0.000 0.856 101 M N 4.083 123.761 119.600 0.129 0.000 2.471 101 M HA 0.447 4.928 4.480 0.001 0.000 0.284 101 M C -2.130 174.249 176.300 0.132 0.000 1.203 101 M CA -0.801 54.579 55.300 0.133 0.000 0.915 101 M CB 2.107 34.792 32.600 0.141 0.000 1.734 101 M HN 0.138 nan 8.290 nan 0.000 0.485 102 I N 4.539 125.189 120.570 0.134 0.000 2.418 102 I HA 0.366 4.537 4.170 0.001 0.000 0.287 102 I C -1.327 174.881 176.117 0.152 0.000 1.008 102 I CA -0.923 60.460 61.300 0.139 0.000 1.104 102 I CB 2.028 40.095 38.000 0.111 0.000 1.264 102 I HN 0.564 nan 8.210 nan 0.000 0.438 103 L N 8.295 129.643 121.223 0.208 0.000 2.257 103 L HA 0.520 4.861 4.340 0.001 0.000 0.290 103 L C -1.124 175.908 176.870 0.270 0.000 1.044 103 L CA 0.013 55.009 54.840 0.259 0.000 0.810 103 L CB 0.763 43.030 42.059 0.347 0.000 1.193 103 L HN 0.449 nan 8.230 nan 0.000 0.425 104 L N 5.080 126.419 121.223 0.194 0.000 2.287 104 L HA 0.598 4.938 4.340 0.001 0.000 0.287 104 L C -0.228 176.776 176.870 0.223 0.000 1.022 104 L CA -0.226 54.693 54.840 0.132 0.000 0.814 104 L CB 1.470 43.576 42.059 0.077 0.000 1.217 104 L HN 0.665 nan 8.230 nan 0.000 0.420 105 S N 1.138 116.989 115.700 0.252 0.000 2.547 105 S HA 0.599 5.069 4.470 0.001 0.000 0.281 105 S C 0.076 174.805 174.600 0.214 0.000 1.118 105 S CA -0.693 57.692 58.200 0.308 0.000 0.947 105 S CB 2.044 65.553 63.200 0.516 0.000 1.053 105 S HN 0.730 nan 8.310 nan 0.000 0.482 106 G N 1.593 110.525 108.800 0.221 0.000 2.503 106 G HA2 0.524 4.484 3.960 0.001 0.000 0.257 106 G HA3 0.524 4.484 3.960 0.001 0.000 0.257 106 G C -0.160 174.825 174.900 0.142 0.000 1.214 106 G CA -0.320 44.913 45.100 0.222 0.000 0.839 106 G HN 0.819 nan 8.290 nan 0.000 0.559 107 S N 0.045 115.801 115.700 0.092 0.000 2.632 107 S HA 0.755 5.226 4.470 0.001 0.000 0.289 107 S C 0.236 174.873 174.600 0.062 0.000 1.115 107 S CA -0.637 57.589 58.200 0.044 0.000 0.889 107 S CB 1.803 64.996 63.200 -0.013 0.000 1.116 107 S HN 0.602 nan 8.310 nan 0.000 0.486 108 S N 0.487 116.222 115.700 0.058 0.000 2.484 108 S HA 0.258 4.729 4.470 0.001 0.000 0.256 108 S C 0.166 174.789 174.600 0.039 0.000 1.223 108 S CA -0.636 57.611 58.200 0.079 0.000 1.002 108 S CB -0.235 63.020 63.200 0.091 0.000 1.043 108 S HN 0.865 nan 8.310 nan 0.000 0.517 109 E N 0.352 120.576 120.200 0.041 0.000 2.257 109 E HA 0.129 4.480 4.350 0.001 0.000 0.278 109 E C 0.958 177.562 176.600 0.007 0.000 1.049 109 E CA -0.298 56.114 56.400 0.019 0.000 0.876 109 E CB 0.543 30.259 29.700 0.025 0.000 1.035 109 E HN 0.443 nan 8.360 nan 0.000 0.419 110 R N 4.153 124.649 120.500 -0.007 0.000 2.113 110 R HA -0.244 4.096 4.340 0.001 0.000 0.244 110 R C 1.276 177.574 176.300 -0.005 0.000 1.142 110 R CA 2.543 58.636 56.100 -0.011 0.000 0.953 110 R CB 0.001 30.289 30.300 -0.019 0.000 0.860 110 R HN 0.683 nan 8.270 nan 0.000 0.438 111 E N -0.295 119.903 120.200 -0.002 0.000 2.110 111 E HA -0.182 4.169 4.350 0.001 0.000 0.193 111 E C 2.101 178.704 176.600 0.005 0.000 0.988 111 E CA 1.613 58.014 56.400 0.001 0.000 0.804 111 E CB -0.199 29.502 29.700 0.002 0.000 0.745 111 E HN 0.460 nan 8.360 nan 0.000 0.458 112 I N 0.835 121.411 120.570 0.009 0.000 2.333 112 I HA -0.182 3.988 4.170 0.001 0.000 0.246 112 I C 2.394 178.518 176.117 0.011 0.000 1.106 112 I CA 0.547 61.855 61.300 0.014 0.000 1.411 112 I CB -0.173 37.841 38.000 0.024 0.000 1.082 112 I HN -0.049 nan 8.210 nan 0.000 0.420 113 V N 0.837 120.756 119.914 0.008 0.000 2.295 113 V HA -0.283 3.837 4.120 0.001 0.000 0.246 113 V C 1.904 177.998 176.094 -0.001 0.000 1.049 113 V CA 1.937 64.239 62.300 0.002 0.000 1.024 113 V CB -0.688 31.133 31.823 -0.004 0.000 0.648 113 V HN 0.368 nan 8.190 nan 0.000 0.447 114 D N -0.255 120.143 120.400 -0.002 0.000 2.351 114 D HA -0.074 4.566 4.640 0.001 0.000 0.216 114 D C 1.606 177.906 176.300 -0.001 0.000 0.968 114 D CA 1.048 55.046 54.000 -0.003 0.000 0.899 114 D CB 0.005 40.803 40.800 -0.003 0.000 0.907 114 D HN 0.374 nan 8.370 nan 0.000 0.514 115 L N -0.348 120.875 121.223 0.002 0.000 2.766 115 L HA 0.142 4.482 4.340 0.001 0.000 0.242 115 L C 0.046 176.918 176.870 0.003 0.000 1.136 115 L CA -0.002 54.840 54.840 0.002 0.000 0.933 115 L CB 0.160 42.222 42.059 0.004 0.000 1.241 115 L HN -0.145 nan 8.230 nan 0.000 0.522 116 Q N 0.269 120.071 119.800 0.003 0.000 2.435 116 Q HA -0.303 4.038 4.340 0.001 0.000 0.312 116 Q C 0.639 176.643 176.000 0.006 0.000 1.333 116 Q CA 0.466 56.271 55.803 0.003 0.000 0.883 116 Q CB -1.458 27.281 28.738 0.001 0.000 1.170 116 Q HN 0.611 nan 8.270 nan 0.000 0.443 117 Q N -0.479 119.326 119.800 0.009 0.000 2.425 117 Q HA 0.152 4.492 4.340 0.001 0.000 0.204 117 Q C 1.082 177.091 176.000 0.016 0.000 0.933 117 Q CA 0.549 56.359 55.803 0.012 0.000 0.939 117 Q CB 0.718 29.465 28.738 0.013 0.000 1.044 117 Q HN 0.665 nan 8.270 nan 0.000 0.513 118 G N 2.164 110.974 108.800 0.016 0.000 2.392 118 G HA2 -0.167 3.794 3.960 0.001 0.000 0.215 118 G HA3 -0.167 3.794 3.960 0.001 0.000 0.215 118 G C -0.636 174.285 174.900 0.035 0.000 1.097 118 G CA -0.208 44.904 45.100 0.019 0.000 0.840 118 G HN 0.220 nan 8.290 nan 0.000 0.492 119 D N -0.749 119.674 120.400 0.038 0.000 2.360 119 D HA 0.324 4.965 4.640 0.001 0.000 0.242 119 D C 0.850 177.207 176.300 0.094 0.000 1.184 119 D CA -0.301 53.741 54.000 0.070 0.000 0.930 119 D CB 0.342 41.179 40.800 0.061 0.000 1.161 119 D HN 0.285 nan 8.370 nan 0.000 0.447 120 Y N 1.704 122.014 120.300 0.017 0.000 2.717 120 Y HA -0.036 4.514 4.550 0.001 0.000 0.330 120 Y C 0.730 176.645 175.900 0.024 0.000 1.217 120 Y CA 0.535 58.648 58.100 0.022 0.000 1.506 120 Y CB -0.003 38.473 38.460 0.025 0.000 1.268 120 Y HN 0.580 nan 8.280 nan 0.000 0.561 121 E N 2.577 122.438 120.200 -0.564 0.000 2.199 121 E HA -0.358 3.992 4.350 0.001 0.000 0.208 121 E C -0.426 176.083 176.600 -0.152 0.000 1.310 121 E CA 0.936 57.079 56.400 -0.428 0.000 0.709 121 E CB -0.820 28.527 29.700 -0.587 0.000 1.127 121 E HN 0.721 nan 8.360 nan 0.000 0.354 122 E N 1.120 121.266 120.200 -0.089 0.000 2.316 122 E HA 0.386 4.736 4.350 0.001 0.000 0.275 122 E C -0.147 176.434 176.600 -0.032 0.000 1.029 122 E CA 0.006 56.384 56.400 -0.036 0.000 0.871 122 E CB 0.705 30.397 29.700 -0.014 0.000 1.022 122 E HN 0.305 nan 8.360 nan 0.000 0.418 123 M N 4.033 123.614 119.600 -0.031 0.000 2.529 123 M HA 0.091 4.571 4.480 0.001 0.000 0.291 123 M C -2.141 174.123 176.300 -0.060 0.000 1.093 123 M CA -0.714 54.568 55.300 -0.030 0.000 0.890 123 M CB 1.868 34.464 32.600 -0.008 0.000 1.794 123 M HN 0.455 nan 8.290 nan 0.000 0.524 124 D N 3.365 123.737 120.400 -0.047 0.000 2.522 124 D HA 0.221 4.861 4.640 0.001 0.000 0.218 124 D C 0.617 176.851 176.300 -0.109 0.000 1.149 124 D CA 0.281 54.246 54.000 -0.058 0.000 0.981 124 D CB 0.715 41.499 40.800 -0.025 0.000 1.041 124 D HN 0.676 nan 8.370 nan 0.000 0.518 125 Q N 2.088 121.729 119.800 -0.264 0.000 2.124 125 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 125 Q C 1.953 177.717 176.000 -0.394 0.000 0.977 125 Q CA 1.073 56.451 55.803 -0.708 0.000 0.850 125 Q CB 0.096 28.057 28.738 -1.295 0.000 0.901 125 Q HN 0.555 nan 8.270 nan 0.000 0.429 126 M N 0.772 120.351 119.600 -0.034 0.000 2.108 126 M HA -0.198 4.282 4.480 0.001 0.000 0.261 126 M C 1.297 177.639 176.300 0.070 0.000 1.066 126 M CA 1.494 56.890 55.300 0.159 0.000 1.107 126 M CB 0.071 32.735 32.600 0.106 0.000 1.356 126 M HN 0.178 nan 8.290 nan 0.000 0.406 127 N N -0.527 118.183 118.700 0.017 0.000 2.376 127 N HA -0.054 4.686 4.740 0.001 0.000 0.177 127 N C 1.651 177.177 175.510 0.027 0.000 1.024 127 N CA 1.022 54.081 53.050 0.015 0.000 0.893 127 N CB 0.028 38.516 38.487 0.003 0.000 0.980 127 N HN 0.260 nan 8.380 nan 0.000 0.439 128 V N 1.932 121.880 119.914 0.058 0.000 2.490 128 V HA -0.181 3.939 4.120 0.001 0.000 0.250 128 V C 2.429 178.622 176.094 0.165 0.000 1.061 128 V CA 1.752 64.129 62.300 0.129 0.000 1.064 128 V CB -0.702 31.271 31.823 0.250 0.000 0.670 128 V HN 0.266 nan 8.190 nan 0.000 0.461 129 A N -0.349 122.584 122.820 0.188 0.000 2.015 129 A HA -0.173 4.148 4.320 0.001 0.000 0.219 129 A C 2.284 179.902 177.584 0.056 0.000 1.163 129 A CA 1.251 53.392 52.037 0.173 0.000 0.646 129 A CB -0.446 18.592 19.000 0.062 0.000 0.806 129 A HN 0.506 nan 8.150 nan 0.000 0.448 130 R N -0.069 120.432 120.500 0.000 0.000 2.159 130 R HA -0.185 4.156 4.340 0.001 0.000 0.249 130 R C -0.635 175.586 176.300 -0.132 0.000 1.136 130 R CA 2.045 58.110 56.100 -0.057 0.000 0.951 130 R CB -1.634 28.632 30.300 -0.057 0.000 0.876 130 R HN 0.519 nan 8.270 nan 0.000 0.440 131 P HA -0.086 nan 4.420 nan 0.000 0.237 131 P C 0.085 177.176 177.300 -0.348 0.000 1.178 131 P CA 1.325 64.216 63.100 -0.347 0.000 0.766 131 P CB 0.138 31.579 31.700 -0.432 0.000 0.876 132 H N -1.007 118.076 119.070 0.021 0.000 2.586 132 H HA 0.211 4.767 4.556 0.001 0.000 0.273 132 H C 1.084 176.415 175.328 0.005 0.000 0.997 132 H CA -0.114 55.948 56.048 0.023 0.000 1.177 132 H CB -0.075 29.696 29.762 0.014 0.000 1.471 132 H HN 0.283 nan 8.280 nan 0.000 0.538 133 C N -1.491 117.850 119.300 0.069 0.000 3.323 133 C HA 0.431 4.891 4.460 0.001 0.000 0.324 133 C C 1.502 176.493 174.990 0.001 0.000 1.428 133 C CA -1.019 58.029 59.018 0.049 0.000 1.368 133 C CB 2.563 30.361 27.740 0.098 0.000 1.731 133 C HN 0.074 nan 8.230 nan 0.000 0.455 134 K N 0.684 121.084 120.400 -0.000 0.000 2.103 134 K HA 0.353 4.673 4.320 0.001 0.000 0.204 134 K C 0.738 177.305 176.600 -0.056 0.000 1.052 134 K CA 1.781 58.058 56.287 -0.017 0.000 0.945 134 K CB 0.011 32.516 32.500 0.008 0.000 0.722 134 K HN 0.909 nan 8.250 nan 0.000 0.443 135 A N 0.381 123.143 122.820 -0.098 0.000 2.574 135 A HA 0.458 4.779 4.320 0.001 0.000 0.297 135 A C -1.350 176.005 177.584 -0.383 0.000 1.062 135 A CA -0.600 51.248 52.037 -0.314 0.000 0.686 135 A CB 2.078 20.813 19.000 -0.442 0.000 1.285 135 A HN -0.064 nan 8.150 nan 0.000 0.403 136 S N 1.040 116.435 115.700 -0.508 0.000 2.659 136 S HA 0.791 5.262 4.470 0.001 0.000 0.312 136 S C -1.205 173.139 174.600 -0.427 0.000 1.114 136 S CA -0.339 57.715 58.200 -0.243 0.000 1.063 136 S CB -0.156 63.057 63.200 0.023 0.000 0.996 136 S HN 0.464 nan 8.310 nan 0.000 0.478 137 F N 2.656 122.604 119.950 -0.005 0.000 2.594 137 F HA 0.687 5.215 4.527 0.001 0.000 0.335 137 F C 0.512 176.229 175.800 -0.138 0.000 1.058 137 F CA -1.159 56.806 58.000 -0.058 0.000 0.981 137 F CB 1.544 40.505 39.000 -0.065 0.000 1.289 137 F HN 0.401 nan 8.300 nan 0.000 0.490 138 R N 1.523 122.095 120.500 0.120 0.000 2.564 138 R HA 0.595 4.935 4.340 0.001 0.000 0.284 138 R C -2.009 174.275 176.300 -0.027 0.000 1.031 138 R CA -0.498 55.593 56.100 -0.015 0.000 0.904 138 R CB 1.432 31.722 30.300 -0.017 0.000 1.199 138 R HN 0.757 nan 8.270 nan 0.000 0.443 139 I N 4.907 125.425 120.570 -0.087 0.000 2.337 139 I HA 0.188 4.359 4.170 0.001 0.000 0.285 139 I C 0.159 176.200 176.117 -0.128 0.000 1.041 139 I CA -0.478 60.761 61.300 -0.102 0.000 1.199 139 I CB 1.550 39.475 38.000 -0.125 0.000 1.370 139 I HN 0.730 nan 8.210 nan 0.000 0.470 140 N N 2.360 121.002 118.700 -0.096 0.000 2.415 140 N HA 0.007 4.748 4.740 0.001 0.000 0.176 140 N C -0.300 175.147 175.510 -0.105 0.000 1.042 140 N CA 0.338 53.328 53.050 -0.100 0.000 0.902 140 N CB 0.376 38.824 38.487 -0.065 0.000 0.986 140 N HN 0.450 nan 8.380 nan 0.000 0.447 141 S N -0.331 115.315 115.700 -0.090 0.000 2.513 141 S HA 0.314 4.784 4.470 0.001 0.000 0.299 141 S C 0.847 175.401 174.600 -0.077 0.000 1.087 141 S CA -0.797 57.357 58.200 -0.077 0.000 1.012 141 S CB 2.154 65.325 63.200 -0.049 0.000 1.044 141 S HN 0.098 nan 8.310 nan 0.000 0.485 142 I N 1.692 122.220 120.570 -0.069 0.000 2.361 142 I HA -0.186 3.984 4.170 0.001 0.000 0.251 142 I C 1.838 177.943 176.117 -0.019 0.000 1.133 142 I CA 1.416 62.687 61.300 -0.050 0.000 1.413 142 I CB -0.046 37.936 38.000 -0.029 0.000 1.073 142 I HN 0.670 nan 8.210 nan 0.000 0.424 143 K N 0.192 120.583 120.400 -0.015 0.000 2.362 143 K HA -0.116 4.205 4.320 0.001 0.000 0.200 143 K C 0.811 177.413 176.600 0.003 0.000 1.046 143 K CA 1.023 57.311 56.287 0.001 0.000 0.952 143 K CB -0.013 32.486 32.500 -0.003 0.000 0.753 143 K HN 0.409 nan 8.250 nan 0.000 0.466 144 D N 0.388 120.780 120.400 -0.014 0.000 2.340 144 D HA 0.089 4.729 4.640 0.001 0.000 0.217 144 D C 1.456 177.744 176.300 -0.019 0.000 1.081 144 D CA 0.183 54.174 54.000 -0.015 0.000 0.842 144 D CB 0.293 41.073 40.800 -0.034 0.000 0.934 144 D HN 0.165 nan 8.370 nan 0.000 0.511 145 I N 1.513 122.073 120.570 -0.016 0.000 2.179 145 I HA -0.183 3.987 4.170 0.001 0.000 0.242 145 I C -0.581 175.530 176.117 -0.009 0.000 1.088 145 I CA 1.244 62.529 61.300 -0.024 0.000 1.357 145 I CB -1.186 36.805 38.000 -0.015 0.000 1.051 145 I HN -0.038 nan 8.210 nan 0.000 0.409 146 P HA -0.175 nan 4.420 nan 0.000 0.215 146 P C 1.881 179.227 177.300 0.076 0.000 1.157 146 P CA 1.394 64.512 63.100 0.030 0.000 0.868 146 P CB 0.040 31.841 31.700 0.169 0.000 0.788 147 I N -0.675 120.023 120.570 0.213 0.000 2.226 147 I HA -0.133 4.038 4.170 0.001 0.000 0.245 147 I C 2.357 178.465 176.117 -0.014 0.000 1.100 147 I CA 2.031 63.451 61.300 0.199 0.000 1.374 147 I CB -1.917 36.141 38.000 0.096 0.000 1.057 147 I HN 0.019 nan 8.210 nan 0.000 0.413 148 G N 1.506 110.257 108.800 -0.080 0.000 2.459 148 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 148 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 148 G C 1.576 176.364 174.900 -0.187 0.000 1.183 148 G CA 0.395 45.382 45.100 -0.189 0.000 0.776 148 G HN 0.204 nan 8.290 nan 0.000 0.552 149 I N 1.962 122.462 120.570 -0.116 0.000 2.286 149 I HA -0.098 4.073 4.170 0.001 0.000 0.248 149 I C 3.216 179.269 176.117 -0.108 0.000 1.115 149 I CA 0.999 62.240 61.300 -0.097 0.000 1.392 149 I CB -1.337 36.615 38.000 -0.079 0.000 1.065 149 I HN 0.262 nan 8.210 nan 0.000 0.418 150 A N 0.943 123.685 122.820 -0.129 0.000 1.902 150 A HA -0.187 4.134 4.320 0.001 0.000 0.217 150 A C 2.471 180.022 177.584 -0.055 0.000 1.181 150 A CA 1.172 53.150 52.037 -0.099 0.000 0.623 150 A CB -0.491 18.497 19.000 -0.020 0.000 0.818 150 A HN 0.302 nan 8.150 nan 0.000 0.443 151 R N -0.549 119.872 120.500 -0.131 0.000 2.081 151 R HA -0.100 4.240 4.340 0.001 0.000 0.235 151 R C 2.493 178.733 176.300 -0.101 0.000 1.131 151 R CA 1.228 57.203 56.100 -0.209 0.000 0.960 151 R CB -0.545 29.389 30.300 -0.610 0.000 0.856 151 R HN 0.530 nan 8.270 nan 0.000 0.436 152 A N 0.850 123.612 122.820 -0.096 0.000 1.858 152 A HA -0.117 4.204 4.320 0.001 0.000 0.216 152 A C 2.426 180.069 177.584 0.099 0.000 1.190 152 A CA 1.488 53.584 52.037 0.098 0.000 0.617 152 A CB -0.627 18.417 19.000 0.074 0.000 0.827 152 A HN 0.102 nan 8.150 nan 0.000 0.443 153 V N 0.013 119.954 119.914 0.045 0.000 2.295 153 V HA -0.281 3.839 4.120 0.001 0.000 0.246 153 V C 2.642 178.777 176.094 0.068 0.000 1.049 153 V CA 2.294 64.627 62.300 0.054 0.000 1.024 153 V CB -0.875 30.962 31.823 0.023 0.000 0.648 153 V HN 0.509 nan 8.190 nan 0.000 0.447 154 R N -0.252 120.284 120.500 0.059 0.000 2.091 154 R HA -0.151 4.189 4.340 0.001 0.000 0.238 154 R C 2.401 178.757 176.300 0.092 0.000 1.136 154 R CA 1.986 58.129 56.100 0.071 0.000 0.959 154 R CB -0.671 29.668 30.300 0.065 0.000 0.856 154 R HN 0.523 nan 8.270 nan 0.000 0.437 155 T N 0.496 115.123 114.554 0.122 0.000 2.821 155 T HA -0.077 4.274 4.350 0.001 0.000 0.267 155 T C 1.843 176.611 174.700 0.115 0.000 1.046 155 T CA 1.256 63.442 62.100 0.143 0.000 1.139 155 T CB -0.093 68.920 68.868 0.240 0.000 0.871 155 T HN 0.360 nan 8.240 nan 0.000 0.454 156 A N 1.236 124.126 122.820 0.117 0.000 1.929 156 A HA 0.040 4.360 4.320 0.001 0.000 0.216 156 A C 2.522 180.163 177.584 0.094 0.000 1.176 156 A CA 1.507 53.605 52.037 0.102 0.000 0.628 156 A CB -0.561 18.506 19.000 0.112 0.000 0.816 156 A HN 0.487 nan 8.150 nan 0.000 0.444 157 V N -2.091 117.885 119.914 0.102 0.000 3.307 157 V HA 0.151 4.271 4.120 0.001 0.000 0.253 157 V C 1.103 177.262 176.094 0.109 0.000 1.149 157 V CA 0.691 63.064 62.300 0.121 0.000 1.112 157 V CB -0.907 30.990 31.823 0.122 0.000 0.777 157 V HN 0.526 nan 8.190 nan 0.000 0.464 158 S N 0.286 116.038 115.700 0.086 0.000 2.645 158 S HA 0.686 5.156 4.470 0.001 0.000 0.266 158 S C 1.034 175.671 174.600 0.062 0.000 1.258 158 S CA 0.328 58.573 58.200 0.074 0.000 0.990 158 S CB 0.740 63.979 63.200 0.066 0.000 0.967 158 S HN 1.851 nan 8.310 nan 0.000 0.556 159 G N 1.469 110.301 108.800 0.053 0.000 2.614 159 G HA2 -0.347 3.614 3.960 0.001 0.000 0.303 159 G HA3 -0.347 3.614 3.960 0.001 0.000 0.303 159 G C -0.074 174.845 174.900 0.032 0.000 1.270 159 G CA 0.485 45.608 45.100 0.039 0.000 0.988 159 G HN 1.145 nan 8.290 nan 0.000 0.551 160 R N 1.666 122.172 120.500 0.010 0.000 2.248 160 R HA 0.447 4.788 4.340 0.001 0.000 0.328 160 R C -2.253 174.031 176.300 -0.027 0.000 1.067 160 R CA -1.157 54.933 56.100 -0.016 0.000 0.924 160 R CB 0.476 30.756 30.300 -0.035 0.000 1.013 160 R HN 0.281 nan 8.270 nan 0.000 0.454 161 P HA 0.145 nan 4.420 nan 0.000 0.268 161 P C -0.495 176.768 177.300 -0.062 0.000 1.208 161 P CA 0.065 63.135 63.100 -0.050 0.000 0.777 161 P CB 1.084 32.689 31.700 -0.158 0.000 0.875 162 G N -0.054 108.738 108.800 -0.014 0.000 2.489 162 G HA2 0.536 4.496 3.960 0.001 0.000 0.305 162 G HA3 0.536 4.496 3.960 0.001 0.000 0.305 162 G C -0.950 173.969 174.900 0.031 0.000 1.311 162 G CA -0.276 44.811 45.100 -0.022 0.000 0.813 162 G HN 0.604 nan 8.290 nan 0.000 0.480 163 G N -1.520 107.296 108.800 0.026 0.000 2.476 163 G HA2 0.602 4.562 3.960 0.001 0.000 0.269 163 G HA3 0.602 4.562 3.960 0.001 0.000 0.269 163 G C -0.917 174.040 174.900 0.096 0.000 1.195 163 G CA -0.234 44.910 45.100 0.074 0.000 0.843 163 G HN 1.132 nan 8.290 nan 0.000 0.545 164 V N 1.300 121.298 119.914 0.139 0.000 2.808 164 V HA 0.332 4.452 4.120 0.001 0.000 0.308 164 V C -1.420 174.814 176.094 0.234 0.000 1.099 164 V CA -0.855 61.542 62.300 0.162 0.000 0.920 164 V CB 1.843 33.779 31.823 0.188 0.000 1.014 164 V HN 0.751 nan 8.190 nan 0.000 0.425 165 Y N 4.373 124.733 120.300 0.098 0.000 2.341 165 Y HA 0.754 5.304 4.550 0.001 0.000 0.337 165 Y C -0.635 175.359 175.900 0.155 0.000 1.014 165 Y CA -0.962 57.221 58.100 0.138 0.000 1.111 165 Y CB 1.856 40.414 38.460 0.162 0.000 1.194 165 Y HN 0.360 nan 8.280 nan 0.000 0.462 166 V N 6.638 126.182 119.914 -0.617 0.000 2.376 166 V HA 0.177 4.298 4.120 0.001 0.000 0.287 166 V C -0.848 174.752 176.094 -0.823 0.000 1.015 166 V CA -0.931 61.072 62.300 -0.495 0.000 0.834 166 V CB 1.377 33.116 31.823 -0.141 0.000 1.001 166 V HN 0.798 nan 8.190 nan 0.000 0.428 167 D N 4.449 124.397 120.400 -0.755 0.000 2.308 167 D HA 0.491 5.131 4.640 0.001 0.000 0.251 167 D C -0.554 175.618 176.300 -0.214 0.000 1.127 167 D CA -0.026 53.714 54.000 -0.434 0.000 0.876 167 D CB 0.919 41.604 40.800 -0.191 0.000 1.176 167 D HN 0.448 nan 8.370 nan 0.000 0.446 168 L N 5.741 126.884 121.223 -0.133 0.000 2.366 168 L HA 0.400 4.740 4.340 0.001 0.000 0.266 168 L C -2.256 174.492 176.870 -0.204 0.000 1.010 168 L CA -2.034 52.693 54.840 -0.189 0.000 0.879 168 L CB 1.547 43.546 42.059 -0.099 0.000 1.228 168 L HN 0.277 nan 8.230 nan 0.000 0.439 169 P HA 0.013 nan 4.420 nan 0.000 0.266 169 P C 0.666 177.820 177.300 -0.244 0.000 1.195 169 P CA 0.094 63.093 63.100 -0.169 0.000 0.768 169 P CB 1.204 32.813 31.700 -0.151 0.000 0.838 170 A N 4.583 127.373 122.820 -0.050 0.000 1.948 170 A HA -0.268 4.053 4.320 0.001 0.000 0.220 170 A C 1.794 179.353 177.584 -0.043 0.000 1.177 170 A CA 1.700 53.778 52.037 0.067 0.000 0.636 170 A CB -1.029 18.046 19.000 0.125 0.000 0.815 170 A HN 0.535 nan 8.150 nan 0.000 0.449 171 K N -1.024 119.320 120.400 -0.092 0.000 2.360 171 K HA -0.074 4.246 4.320 0.001 0.000 0.201 171 K C 1.716 178.202 176.600 -0.190 0.000 1.046 171 K CA 0.937 57.167 56.287 -0.096 0.000 0.945 171 K CB -0.273 32.184 32.500 -0.071 0.000 0.750 171 K HN 0.446 nan 8.250 nan 0.000 0.464 172 L N 0.257 121.250 121.223 -0.384 0.000 2.056 172 L HA -0.093 4.248 4.340 0.001 0.000 0.207 172 L C 1.643 178.221 176.870 -0.487 0.000 1.078 172 L CA 1.616 56.166 54.840 -0.484 0.000 0.749 172 L CB -0.384 41.259 42.059 -0.693 0.000 0.901 172 L HN 0.060 nan 8.230 nan 0.000 0.433 173 F N -0.428 119.293 119.950 -0.381 0.000 2.216 173 F HA -0.082 4.446 4.527 0.001 0.000 0.300 173 F C 2.303 177.850 175.800 -0.421 0.000 1.085 173 F CA 0.887 58.432 58.000 -0.757 0.000 1.326 173 F CB -0.936 37.166 39.000 -1.497 0.000 1.027 173 F HN 0.228 nan 8.300 nan 0.000 0.497 174 G N -0.831 107.957 108.800 -0.021 0.000 2.880 174 G HA2 0.018 3.979 3.960 0.001 0.000 0.209 174 G HA3 0.018 3.979 3.960 0.001 0.000 0.209 174 G C 0.522 175.451 174.900 0.048 0.000 1.157 174 G CA -0.254 44.894 45.100 0.080 0.000 0.779 174 G HN 0.236 nan 8.290 nan 0.000 0.539 175 Q N 0.699 120.495 119.800 -0.008 0.000 2.421 175 Q HA 0.400 4.740 4.340 0.001 0.000 0.255 175 Q C 0.252 176.271 176.000 0.032 0.000 1.013 175 Q CA 0.369 56.170 55.803 -0.003 0.000 0.895 175 Q CB 0.764 29.477 28.738 -0.043 0.000 1.271 175 Q HN 0.325 nan 8.270 nan 0.000 0.460 176 T N -1.164 113.410 114.554 0.034 0.000 2.916 176 T HA 0.829 5.179 4.350 0.001 0.000 0.292 176 T C -0.582 174.140 174.700 0.036 0.000 1.064 176 T CA -0.852 61.278 62.100 0.050 0.000 1.011 176 T CB 1.349 70.249 68.868 0.053 0.000 1.152 176 T HN 0.605 nan 8.240 nan 0.000 0.510 177 I N 1.126 121.722 120.570 0.043 0.000 2.842 177 I HA 0.420 4.590 4.170 0.001 0.000 0.297 177 I C -0.330 175.807 176.117 0.033 0.000 1.380 177 I CA -0.751 60.569 61.300 0.033 0.000 1.018 177 I CB 2.301 40.320 38.000 0.032 0.000 1.311 177 I HN 1.086 nan 8.210 nan 0.000 0.439 178 S N 4.650 120.365 115.700 0.025 0.000 2.560 178 S HA 0.109 4.579 4.470 0.001 0.000 0.284 178 S C 1.025 175.639 174.600 0.023 0.000 1.327 178 S CA -0.513 57.700 58.200 0.021 0.000 1.055 178 S CB 1.506 64.715 63.200 0.016 0.000 0.868 178 S HN 0.483 nan 8.310 nan 0.000 0.506 179 V N 2.613 122.538 119.914 0.019 0.000 2.392 179 V HA -0.184 3.937 4.120 0.001 0.000 0.249 179 V C 2.737 178.843 176.094 0.019 0.000 1.059 179 V CA 2.362 64.673 62.300 0.018 0.000 1.051 179 V CB -1.215 30.611 31.823 0.006 0.000 0.658 179 V HN 1.074 nan 8.190 nan 0.000 0.455 180 E N -0.167 120.042 120.200 0.016 0.000 2.051 180 E HA -0.259 4.092 4.350 0.001 0.000 0.192 180 E C 2.313 178.925 176.600 0.019 0.000 0.991 180 E CA 1.301 57.710 56.400 0.016 0.000 0.799 180 E CB -0.107 29.600 29.700 0.011 0.000 0.748 180 E HN 0.523 nan 8.360 nan 0.000 0.449 181 E N 0.311 120.523 120.200 0.020 0.000 2.051 181 E HA -0.178 4.173 4.350 0.001 0.000 0.192 181 E C 1.965 178.583 176.600 0.030 0.000 0.991 181 E CA 1.122 57.534 56.400 0.021 0.000 0.799 181 E CB -0.262 29.449 29.700 0.018 0.000 0.748 181 E HN 0.368 nan 8.360 nan 0.000 0.449 182 A N 1.487 124.328 122.820 0.035 0.000 2.024 182 A HA -0.188 4.133 4.320 0.001 0.000 0.220 182 A C 1.851 179.466 177.584 0.052 0.000 1.164 182 A CA 1.429 53.494 52.037 0.046 0.000 0.643 182 A CB -0.425 18.606 19.000 0.051 0.000 0.806 182 A HN 0.202 nan 8.150 nan 0.000 0.451 183 N N -0.628 118.098 118.700 0.043 0.000 2.354 183 N HA -0.058 4.682 4.740 0.001 0.000 0.179 183 N C 1.474 177.015 175.510 0.052 0.000 1.021 183 N CA 1.062 54.139 53.050 0.046 0.000 0.887 183 N CB -0.093 38.414 38.487 0.034 0.000 0.974 183 N HN 0.411 nan 8.380 nan 0.000 0.437 184 K N 0.807 121.232 120.400 0.042 0.000 2.155 184 K HA 0.124 4.444 4.320 0.001 0.000 0.203 184 K C 1.983 178.615 176.600 0.053 0.000 1.052 184 K CA 0.470 56.779 56.287 0.036 0.000 0.948 184 K CB -0.027 32.485 32.500 0.020 0.000 0.728 184 K HN 0.087 nan 8.250 nan 0.000 0.448 185 L N 0.182 121.447 121.223 0.068 0.000 2.131 185 L HA 0.018 4.359 4.340 0.001 0.000 0.206 185 L C 0.527 177.525 176.870 0.214 0.000 1.087 185 L CA 0.136 55.038 54.840 0.104 0.000 0.767 185 L CB -0.242 41.866 42.059 0.081 0.000 0.917 185 L HN 0.055 nan 8.230 nan 0.000 0.441 186 L N 0.828 122.152 121.223 0.168 0.000 2.485 186 L HA 0.085 4.425 4.340 0.001 0.000 0.275 186 L C -0.436 176.595 176.870 0.269 0.000 1.207 186 L CA 0.332 55.272 54.840 0.167 0.000 0.855 186 L CB 0.177 42.287 42.059 0.086 0.000 1.114 186 L HN 0.042 nan 8.230 nan 0.000 0.485 187 F N 0.737 120.696 119.950 0.014 0.000 2.741 187 F HA 0.519 5.047 4.527 0.001 0.000 0.311 187 F C -1.167 174.642 175.800 0.015 0.000 1.149 187 F CA -1.373 56.634 58.000 0.012 0.000 0.930 187 F CB 1.489 40.492 39.000 0.004 0.000 1.312 187 F HN 0.205 nan 8.300 nan 0.000 0.450 188 K N 3.605 124.006 120.400 0.001 0.000 2.339 188 K HA 0.502 4.822 4.320 0.001 0.000 0.264 188 K C -2.721 173.913 176.600 0.057 0.000 0.986 188 K CA -2.021 54.205 56.287 -0.103 0.000 0.866 188 K CB 1.400 33.892 32.500 -0.013 0.000 1.103 188 K HN 0.531 nan 8.250 nan 0.000 0.441 189 P HA 0.012 nan 4.420 nan 0.000 0.266 189 P C -0.549 176.813 177.300 0.103 0.000 1.195 189 P CA 0.149 63.339 63.100 0.149 0.000 0.768 189 P CB 0.657 32.401 31.700 0.073 0.000 0.838 190 I N 1.882 122.521 120.570 0.115 0.000 2.331 190 I HA 0.068 4.238 4.170 0.001 0.000 0.292 190 I C 0.626 176.777 176.117 0.056 0.000 0.998 190 I CA -0.057 61.287 61.300 0.073 0.000 1.267 190 I CB 0.218 38.258 38.000 0.067 0.000 1.386 190 I HN 0.405 nan 8.210 nan 0.000 0.476 191 D N 6.758 127.183 120.400 0.042 0.000 2.803 191 D HA -0.134 4.507 4.640 0.001 0.000 0.233 191 D C -1.342 174.983 176.300 0.042 0.000 1.182 191 D CA 0.143 54.164 54.000 0.036 0.000 0.726 191 D CB 0.143 40.962 40.800 0.032 0.000 0.987 191 D HN 0.391 nan 8.370 nan 0.000 0.412 192 P HA -0.059 nan 4.420 nan 0.000 0.222 192 P C 0.220 177.552 177.300 0.053 0.000 1.147 192 P CA 1.204 64.334 63.100 0.049 0.000 0.790 192 P CB 0.355 32.082 31.700 0.044 0.000 0.780 193 A N 1.155 124.004 122.820 0.048 0.000 3.105 193 A HA 0.471 4.791 4.320 0.001 0.000 0.336 193 A C -2.276 175.334 177.584 0.043 0.000 1.042 193 A CA -1.383 50.687 52.037 0.055 0.000 0.851 193 A CB 0.039 19.078 19.000 0.064 0.000 1.068 193 A HN 0.051 nan 8.150 nan 0.000 0.477 194 P HA 0.325 nan 4.420 nan 0.000 0.269 194 P C 0.197 177.515 177.300 0.030 0.000 1.215 194 P CA 0.153 63.272 63.100 0.032 0.000 0.780 194 P CB 1.002 32.721 31.700 0.032 0.000 0.898 195 A N 2.717 125.550 122.820 0.022 0.000 2.351 195 A HA 0.310 4.631 4.320 0.001 0.000 0.257 195 A C 0.119 177.716 177.584 0.021 0.000 1.087 195 A CA -0.198 51.851 52.037 0.020 0.000 0.798 195 A CB 0.152 19.159 19.000 0.013 0.000 1.033 195 A HN 0.534 nan 8.150 nan 0.000 0.488 196 Q N 1.501 121.314 119.800 0.022 0.000 2.414 196 Q HA 0.339 4.680 4.340 0.001 0.000 0.256 196 Q C -1.188 174.822 176.000 0.017 0.000 0.974 196 Q CA 0.083 55.898 55.803 0.020 0.000 0.723 196 Q CB 1.362 30.114 28.738 0.024 0.000 1.281 196 Q HN 0.711 nan 8.270 nan 0.000 0.470 197 I N 4.551 125.130 120.570 0.014 0.000 2.395 197 I HA 0.268 4.439 4.170 0.001 0.000 0.289 197 I C -1.554 174.569 176.117 0.011 0.000 1.023 197 I CA -1.546 59.761 61.300 0.012 0.000 1.350 197 I CB 0.637 38.642 38.000 0.009 0.000 1.409 197 I HN 0.219 nan 8.210 nan 0.000 0.507 198 P HA 0.300 nan 4.420 nan 0.000 0.278 198 P C -0.732 176.573 177.300 0.009 0.000 1.258 198 P CA -0.500 62.606 63.100 0.010 0.000 0.811 198 P CB 1.054 32.760 31.700 0.011 0.000 1.063 199 A N 1.675 124.499 122.820 0.008 0.000 2.407 199 A HA 0.108 4.429 4.320 0.001 0.000 0.248 199 A C 1.461 179.049 177.584 0.007 0.000 1.082 199 A CA -0.270 51.771 52.037 0.007 0.000 0.785 199 A CB -0.064 18.940 19.000 0.006 0.000 1.020 199 A HN 0.566 nan 8.150 nan 0.000 0.489 200 E N 1.209 121.412 120.200 0.006 0.000 2.118 200 E HA -0.211 4.139 4.350 0.001 0.000 0.195 200 E C 1.481 178.084 176.600 0.006 0.000 0.992 200 E CA 1.679 58.082 56.400 0.006 0.000 0.804 200 E CB -0.255 29.448 29.700 0.005 0.000 0.741 200 E HN 0.886 nan 8.360 nan 0.000 0.458 201 D N 0.247 120.650 120.400 0.005 0.000 2.219 201 D HA -0.104 4.537 4.640 0.001 0.000 0.205 201 D C 1.721 178.024 176.300 0.005 0.000 0.970 201 D CA 1.198 55.200 54.000 0.005 0.000 0.851 201 D CB -0.162 40.640 40.800 0.004 0.000 0.943 201 D HN 0.101 nan 8.370 nan 0.000 0.488 202 A N 1.165 123.988 122.820 0.006 0.000 1.897 202 A HA -0.035 4.286 4.320 0.001 0.000 0.215 202 A C 2.383 179.972 177.584 0.009 0.000 1.181 202 A CA 0.702 52.744 52.037 0.008 0.000 0.620 202 A CB -0.368 18.637 19.000 0.008 0.000 0.821 202 A HN 0.151 nan 8.150 nan 0.000 0.443 203 I N 0.192 120.768 120.570 0.009 0.000 2.202 203 I HA -0.214 3.956 4.170 0.001 0.000 0.242 203 I C 2.967 179.089 176.117 0.009 0.000 1.091 203 I CA 1.415 62.721 61.300 0.010 0.000 1.368 203 I CB -1.681 36.324 38.000 0.009 0.000 1.058 203 I HN 0.351 nan 8.210 nan 0.000 0.410 204 A N 0.823 123.647 122.820 0.007 0.000 1.917 204 A HA -0.267 4.054 4.320 0.001 0.000 0.219 204 A C 2.558 180.145 177.584 0.005 0.000 1.182 204 A CA 2.026 54.066 52.037 0.006 0.000 0.633 204 A CB -0.763 18.240 19.000 0.004 0.000 0.819 204 A HN 0.387 nan 8.150 nan 0.000 0.448 205 R N -0.554 119.950 120.500 0.006 0.000 2.081 205 R HA -0.075 4.265 4.340 0.001 0.000 0.235 205 R C 2.257 178.561 176.300 0.007 0.000 1.131 205 R CA 1.403 57.506 56.100 0.005 0.000 0.960 205 R CB -0.362 29.942 30.300 0.006 0.000 0.856 205 R HN 0.450 nan 8.270 nan 0.000 0.436 206 A N 0.532 123.358 122.820 0.011 0.000 1.929 206 A HA 0.012 4.332 4.320 0.001 0.000 0.216 206 A C 2.298 179.889 177.584 0.012 0.000 1.176 206 A CA 1.298 53.344 52.037 0.014 0.000 0.628 206 A CB -0.549 18.463 19.000 0.020 0.000 0.816 206 A HN 0.511 nan 8.150 nan 0.000 0.444 207 A N 0.346 123.172 122.820 0.010 0.000 1.902 207 A HA -0.190 4.130 4.320 0.001 0.000 0.217 207 A C 1.742 179.329 177.584 0.005 0.000 1.181 207 A CA 1.862 53.904 52.037 0.010 0.000 0.623 207 A CB -0.541 18.464 19.000 0.009 0.000 0.818 207 A HN 0.459 nan 8.150 nan 0.000 0.443 208 D N -0.065 120.336 120.400 0.002 0.000 2.144 208 D HA -0.099 4.541 4.640 0.001 0.000 0.200 208 D C 1.951 178.247 176.300 -0.007 0.000 0.978 208 D CA 0.796 54.795 54.000 -0.002 0.000 0.833 208 D CB -0.341 40.457 40.800 -0.003 0.000 0.961 208 D HN 0.424 nan 8.370 nan 0.000 0.470 209 L N 0.515 121.734 121.223 -0.007 0.000 2.046 209 L HA -0.143 4.198 4.340 0.001 0.000 0.208 209 L C 2.480 179.339 176.870 -0.018 0.000 1.077 209 L CA 0.772 55.603 54.840 -0.016 0.000 0.747 209 L CB -0.179 41.873 42.059 -0.012 0.000 0.896 209 L HN 0.020 nan 8.230 nan 0.000 0.432 210 I N -0.345 120.222 120.570 -0.005 0.000 2.142 210 I HA -0.328 3.842 4.170 0.001 0.000 0.240 210 I C 2.445 178.560 176.117 -0.003 0.000 1.078 210 I CA 1.409 62.709 61.300 0.000 0.000 1.343 210 I CB -0.295 37.715 38.000 0.016 0.000 1.046 210 I HN 0.183 nan 8.210 nan 0.000 0.405 211 K N 0.603 121.003 120.400 -0.000 0.000 2.211 211 K HA -0.132 4.189 4.320 0.001 0.000 0.204 211 K C 1.281 177.875 176.600 -0.010 0.000 1.047 211 K CA 1.119 57.405 56.287 -0.000 0.000 0.935 211 K CB -0.169 32.332 32.500 0.001 0.000 0.728 211 K HN 0.343 nan 8.250 nan 0.000 0.452 212 N N 0.242 118.930 118.700 -0.020 0.000 2.270 212 N HA 0.068 4.808 4.740 0.001 0.000 0.198 212 N C -0.275 175.204 175.510 -0.051 0.000 1.117 212 N CA 0.059 53.091 53.050 -0.030 0.000 0.845 212 N CB 0.607 39.077 38.487 -0.029 0.000 0.980 212 N HN 0.080 nan 8.380 nan 0.000 0.486 213 A N 0.808 123.593 122.820 -0.059 0.000 2.371 213 A HA 0.237 4.557 4.320 0.001 0.000 0.257 213 A C 1.070 178.578 177.584 -0.128 0.000 1.089 213 A CA -0.082 51.895 52.037 -0.100 0.000 0.794 213 A CB 0.887 19.828 19.000 -0.098 0.000 1.029 213 A HN 0.091 nan 8.150 nan 0.000 0.488 214 K N 0.366 120.647 120.400 -0.198 0.000 2.287 214 K HA 0.102 4.422 4.320 0.001 0.000 0.199 214 K C 0.177 176.512 176.600 -0.443 0.000 1.061 214 K CA 0.703 56.854 56.287 -0.227 0.000 0.976 214 K CB 0.334 32.715 32.500 -0.199 0.000 0.898 214 K HN 0.647 nan 8.250 nan 0.000 0.492 215 R N 1.581 121.662 120.500 -0.699 0.000 2.681 215 R HA 0.213 4.553 4.340 0.001 0.000 0.277 215 R C -2.750 173.006 176.300 -0.906 0.000 1.563 215 R CA -1.407 53.743 56.100 -1.583 0.000 1.673 215 R CB 1.247 30.382 30.300 -1.942 0.000 1.258 215 R HN 0.076 nan 8.270 nan 0.000 0.650 216 P HA 0.185 nan 4.420 nan 0.000 0.277 216 P C -0.402 177.043 177.300 0.242 0.000 1.240 216 P CA -0.297 62.784 63.100 -0.031 0.000 0.798 216 P CB 1.737 33.445 31.700 0.014 0.000 0.979 217 V N -0.390 119.642 119.914 0.197 0.000 3.048 217 V HA 0.587 4.707 4.120 0.001 0.000 0.303 217 V C -0.769 175.439 176.094 0.191 0.000 1.214 217 V CA -0.958 61.487 62.300 0.242 0.000 0.984 217 V CB 1.947 33.920 31.823 0.250 0.000 1.054 217 V HN 0.332 nan 8.190 nan 0.000 0.430 218 I N 4.257 124.948 120.570 0.202 0.000 2.406 218 I HA 0.566 4.736 4.170 0.001 0.000 0.290 218 I C -0.495 175.741 176.117 0.198 0.000 0.999 218 I CA -0.615 60.795 61.300 0.184 0.000 1.124 218 I CB 1.962 40.062 38.000 0.165 0.000 1.289 218 I HN 0.723 nan 8.210 nan 0.000 0.441 219 M N 8.195 127.900 119.600 0.176 0.000 2.149 219 M HA 0.477 4.957 4.480 0.001 0.000 0.342 219 M C -1.501 174.873 176.300 0.123 0.000 1.068 219 M CA -0.207 55.191 55.300 0.163 0.000 0.991 219 M CB 0.841 33.551 32.600 0.183 0.000 1.596 219 M HN 0.370 nan 8.290 nan 0.000 0.439 220 L N 5.233 126.526 121.223 0.116 0.000 2.272 220 L HA 0.757 5.098 4.340 0.001 0.000 0.289 220 L C 0.604 177.515 176.870 0.069 0.000 1.032 220 L CA -0.758 54.126 54.840 0.073 0.000 0.810 220 L CB 1.139 43.223 42.059 0.041 0.000 1.205 220 L HN 0.868 nan 8.230 nan 0.000 0.422 221 G N 1.465 110.301 108.800 0.060 0.000 2.552 221 G HA2 0.321 4.282 3.960 0.001 0.000 0.324 221 G HA3 0.321 4.282 3.960 0.001 0.000 0.324 221 G C 0.580 175.532 174.900 0.087 0.000 1.217 221 G CA -0.597 44.535 45.100 0.054 0.000 0.989 221 G HN 0.793 nan 8.290 nan 0.000 0.490 222 K N -0.917 119.543 120.400 0.100 0.000 2.442 222 K HA 0.025 4.345 4.320 0.001 0.000 0.198 222 K C 1.909 178.675 176.600 0.276 0.000 1.044 222 K CA 1.175 57.582 56.287 0.200 0.000 0.948 222 K CB -0.073 32.526 32.500 0.165 0.000 0.762 222 K HN 0.432 nan 8.250 nan 0.000 0.472 223 G N 1.474 110.379 108.800 0.175 0.000 2.408 223 G HA2 -0.208 3.752 3.960 0.001 0.000 0.217 223 G HA3 -0.208 3.752 3.960 0.001 0.000 0.217 223 G C 1.685 176.704 174.900 0.198 0.000 1.150 223 G CA 0.667 45.879 45.100 0.188 0.000 0.776 223 G HN 0.433 nan 8.290 nan 0.000 0.542 224 A N 1.176 124.074 122.820 0.129 0.000 1.898 224 A HA 0.309 4.630 4.320 0.001 0.000 0.216 224 A C 2.798 180.425 177.584 0.072 0.000 1.181 224 A CA 2.146 54.231 52.037 0.080 0.000 0.620 224 A CB -0.733 18.292 19.000 0.042 0.000 0.819 224 A HN 0.714 nan 8.150 nan 0.000 0.442 225 A N -1.481 121.406 122.820 0.113 0.000 1.898 225 A HA -0.098 4.223 4.320 0.001 0.000 0.216 225 A C 2.136 179.728 177.584 0.013 0.000 1.181 225 A CA 1.631 53.715 52.037 0.077 0.000 0.620 225 A CB -0.838 18.266 19.000 0.173 0.000 0.819 225 A HN 0.724 nan 8.150 nan 0.000 0.442 226 Y N 0.840 121.147 120.300 0.011 0.000 2.165 226 Y HA -0.140 4.410 4.550 0.001 0.000 0.286 226 Y C 2.585 178.432 175.900 -0.088 0.000 1.155 226 Y CA 1.260 59.302 58.100 -0.096 0.000 1.164 226 Y CB -0.581 37.942 38.460 0.105 0.000 0.978 226 Y HN 0.308 nan 8.280 nan 0.000 0.513 227 A N 0.026 122.829 122.820 -0.029 0.000 2.032 227 A HA -0.264 4.056 4.320 0.001 0.000 0.221 227 A C 1.183 178.656 177.584 -0.186 0.000 1.165 227 A CA 1.622 53.603 52.037 -0.094 0.000 0.645 227 A CB -0.701 18.309 19.000 0.016 0.000 0.807 227 A HN 0.688 nan 8.150 nan 0.000 0.453 228 Q N -2.593 117.093 119.800 -0.190 0.000 2.460 228 Q HA -0.204 4.136 4.340 0.001 0.000 0.311 228 Q C -0.047 175.884 176.000 -0.116 0.000 1.396 228 Q CA 0.507 56.205 55.803 -0.175 0.000 0.838 228 Q CB -2.436 26.164 28.738 -0.231 0.000 1.140 228 Q HN 1.219 nan 8.270 nan 0.000 0.415 229 C N -2.833 116.415 119.300 -0.086 0.000 3.114 229 C HA 0.284 4.745 4.460 0.001 0.000 0.215 229 C C 1.189 176.141 174.990 -0.064 0.000 1.759 229 C CA -0.801 58.178 59.018 -0.066 0.000 1.455 229 C CB 0.187 27.898 27.740 -0.049 0.000 2.528 229 C HN 0.347 nan 8.230 nan 0.000 0.511 230 D N 1.610 121.966 120.400 -0.073 0.000 2.133 230 D HA -0.172 4.468 4.640 0.001 0.000 0.195 230 D C 1.419 177.674 176.300 -0.075 0.000 0.997 230 D CA 1.790 55.744 54.000 -0.077 0.000 0.840 230 D CB 0.078 40.833 40.800 -0.075 0.000 0.947 230 D HN 0.597 nan 8.370 nan 0.000 0.452 231 D N 0.729 121.093 120.400 -0.059 0.000 2.144 231 D HA -0.107 4.533 4.640 0.001 0.000 0.200 231 D C 2.013 178.284 176.300 -0.049 0.000 0.978 231 D CA 0.626 54.597 54.000 -0.050 0.000 0.833 231 D CB 0.015 40.793 40.800 -0.037 0.000 0.961 231 D HN 0.240 nan 8.370 nan 0.000 0.470 232 E N 0.757 120.930 120.200 -0.046 0.000 2.038 232 E HA -0.130 4.221 4.350 0.001 0.000 0.195 232 E C 2.506 179.077 176.600 -0.048 0.000 1.000 232 E CA 0.495 56.872 56.400 -0.038 0.000 0.803 232 E CB -0.256 29.425 29.700 -0.032 0.000 0.750 232 E HN 0.397 nan 8.360 nan 0.000 0.448 233 I N 0.562 121.092 120.570 -0.066 0.000 2.252 233 I HA -0.240 3.930 4.170 0.001 0.000 0.245 233 I C 2.816 178.856 176.117 -0.129 0.000 1.102 233 I CA 0.940 62.186 61.300 -0.091 0.000 1.385 233 I CB -0.267 37.669 38.000 -0.108 0.000 1.064 233 I HN 0.012 nan 8.210 nan 0.000 0.414 234 R N 1.253 121.670 120.500 -0.138 0.000 2.096 234 R HA -0.180 4.160 4.340 0.001 0.000 0.235 234 R C 2.353 178.599 176.300 -0.091 0.000 1.127 234 R CA 1.594 57.597 56.100 -0.162 0.000 0.968 234 R CB -0.218 30.006 30.300 -0.126 0.000 0.861 234 R HN 0.364 nan 8.270 nan 0.000 0.440 235 A N 1.054 123.842 122.820 -0.053 0.000 1.898 235 A HA -0.152 4.169 4.320 0.001 0.000 0.216 235 A C 2.041 179.617 177.584 -0.013 0.000 1.181 235 A CA 1.209 53.234 52.037 -0.021 0.000 0.620 235 A CB -0.594 18.397 19.000 -0.015 0.000 0.819 235 A HN 0.402 nan 8.150 nan 0.000 0.442 236 L N 0.057 121.265 121.223 -0.026 0.000 2.012 236 L HA -0.142 4.198 4.340 0.001 0.000 0.210 236 L C 2.352 179.224 176.870 0.002 0.000 1.073 236 L CA 2.144 56.978 54.840 -0.010 0.000 0.748 236 L CB -0.507 41.542 42.059 -0.017 0.000 0.891 236 L HN 0.151 nan 8.230 nan 0.000 0.431 237 V N -0.122 119.775 119.914 -0.029 0.000 2.343 237 V HA -0.266 3.854 4.120 0.001 0.000 0.247 237 V C 2.478 178.613 176.094 0.067 0.000 1.051 237 V CA 2.190 64.492 62.300 0.003 0.000 1.036 237 V CB -0.723 31.028 31.823 -0.121 0.000 0.654 237 V HN 0.531 nan 8.190 nan 0.000 0.451 238 E N -0.248 119.985 120.200 0.055 0.000 2.158 238 E HA -0.165 4.186 4.350 0.001 0.000 0.191 238 E C 2.149 178.796 176.600 0.078 0.000 0.982 238 E CA 0.963 57.427 56.400 0.106 0.000 0.823 238 E CB -0.059 29.709 29.700 0.113 0.000 0.766 238 E HN 0.700 nan 8.360 nan 0.000 0.468 239 E N 0.244 120.476 120.200 0.052 0.000 2.158 239 E HA -0.104 4.246 4.350 0.001 0.000 0.191 239 E C 2.116 178.747 176.600 0.050 0.000 0.982 239 E CA 1.546 57.973 56.400 0.044 0.000 0.823 239 E CB 0.050 29.767 29.700 0.029 0.000 0.766 239 E HN 0.259 nan 8.360 nan 0.000 0.468 240 T N -2.990 111.600 114.554 0.058 0.000 3.054 240 T HA 0.172 4.522 4.350 0.001 0.000 0.259 240 T C 1.677 176.429 174.700 0.087 0.000 1.092 240 T CA 0.424 62.564 62.100 0.066 0.000 1.121 240 T CB 0.331 69.238 68.868 0.066 0.000 0.912 240 T HN 0.246 nan 8.240 nan 0.000 0.489 241 G N 1.651 110.513 108.800 0.103 0.000 2.168 241 G HA2 -0.228 3.733 3.960 0.001 0.000 0.257 241 G HA3 -0.228 3.733 3.960 0.001 0.000 0.257 241 G C 0.042 175.031 174.900 0.148 0.000 0.997 241 G CA 0.281 45.454 45.100 0.121 0.000 0.708 241 G HN 0.690 nan 8.290 nan 0.000 0.520 242 I N 2.393 123.059 120.570 0.160 0.000 2.474 242 I HA 0.253 4.423 4.170 0.001 0.000 0.287 242 I C -1.323 174.925 176.117 0.217 0.000 1.048 242 I CA -2.222 59.195 61.300 0.195 0.000 1.383 242 I CB 1.136 39.240 38.000 0.173 0.000 1.412 242 I HN -0.052 nan 8.210 nan 0.000 0.531 243 P HA 0.125 nan 4.420 nan 0.000 0.275 243 P C -1.107 176.294 177.300 0.168 0.000 1.227 243 P CA 0.053 63.212 63.100 0.098 0.000 0.781 243 P CB 0.553 32.227 31.700 -0.043 0.000 0.906 244 F N 1.463 121.438 119.950 0.041 0.000 2.577 244 F HA 0.752 5.280 4.527 0.001 0.000 0.318 244 F C -1.591 174.220 175.800 0.019 0.000 1.065 244 F CA -1.562 56.456 58.000 0.031 0.000 0.929 244 F CB 1.318 40.318 39.000 0.001 0.000 1.237 244 F HN 0.041 nan 8.300 nan 0.000 0.468 245 L N 3.735 125.090 121.223 0.220 0.000 2.376 245 L HA 0.558 4.899 4.340 0.001 0.000 0.275 245 L C -2.693 174.305 176.870 0.214 0.000 0.987 245 L CA -1.925 52.978 54.840 0.104 0.000 0.828 245 L CB 2.693 44.775 42.059 0.038 0.000 1.249 245 L HN 0.466 nan 8.230 nan 0.000 0.409 246 P HA 0.335 nan 4.420 nan 0.000 0.296 246 P C -0.973 176.376 177.300 0.082 0.000 1.301 246 P CA -0.720 62.482 63.100 0.170 0.000 0.862 246 P CB 1.794 33.620 31.700 0.210 0.000 1.046 247 M N 1.581 121.216 119.600 0.059 0.000 2.163 247 M HA 0.180 4.660 4.480 0.001 0.000 0.305 247 M C 2.131 178.443 176.300 0.020 0.000 1.166 247 M CA 0.113 55.422 55.300 0.015 0.000 1.132 247 M CB -0.531 32.067 32.600 -0.004 0.000 1.413 247 M HN 0.589 nan 8.290 nan 0.000 0.478 248 G N 1.119 109.914 108.800 -0.007 0.000 2.703 248 G HA2 -0.256 3.704 3.960 0.001 0.000 0.222 248 G HA3 -0.256 3.704 3.960 0.001 0.000 0.222 248 G C 1.172 176.094 174.900 0.037 0.000 1.183 248 G CA 1.135 46.241 45.100 0.009 0.000 0.775 248 G HN 0.647 nan 8.290 nan 0.000 0.615 249 M N 0.984 120.608 119.600 0.039 0.000 2.495 249 M HA 0.327 4.808 4.480 0.001 0.000 0.237 249 M C 2.341 178.709 176.300 0.113 0.000 1.131 249 M CA 0.364 55.704 55.300 0.066 0.000 1.032 249 M CB 0.613 33.221 32.600 0.013 0.000 1.513 249 M HN 0.330 nan 8.290 nan 0.000 0.488 250 A N 0.163 123.038 122.820 0.091 0.000 2.238 250 A HA 0.102 4.422 4.320 0.001 0.000 0.210 250 A C 0.646 178.281 177.584 0.085 0.000 1.179 250 A CA 0.055 52.149 52.037 0.095 0.000 0.827 250 A CB -0.065 18.983 19.000 0.080 0.000 0.856 250 A HN 0.288 nan 8.150 nan 0.000 0.488 251 K N -0.257 120.195 120.400 0.087 0.000 2.484 251 K HA 0.330 4.650 4.320 0.001 0.000 0.280 251 K C 1.140 177.787 176.600 0.078 0.000 1.013 251 K CA 0.787 57.128 56.287 0.090 0.000 1.029 251 K CB 0.147 32.694 32.500 0.079 0.000 0.902 251 K HN 0.538 nan 8.250 nan 0.000 0.481 252 G N 2.139 110.983 108.800 0.074 0.000 2.234 252 G HA2 -0.281 3.679 3.960 0.001 0.000 0.235 252 G HA3 -0.281 3.679 3.960 0.001 0.000 0.235 252 G C 0.710 175.617 174.900 0.010 0.000 0.997 252 G CA 0.128 45.257 45.100 0.049 0.000 0.623 252 G HN 0.585 nan 8.290 nan 0.000 0.514 253 L N -0.375 120.843 121.223 -0.007 0.000 1.970 253 L HA 0.150 4.490 4.340 0.001 0.000 0.212 253 L C 1.065 177.854 176.870 -0.134 0.000 1.071 253 L CA 1.493 56.294 54.840 -0.064 0.000 0.751 253 L CB -0.180 41.836 42.059 -0.073 0.000 0.889 253 L HN 0.302 nan 8.230 nan 0.000 0.432 254 L N -0.317 120.774 121.223 -0.221 0.000 2.325 254 L HA 0.370 4.710 4.340 0.001 0.000 0.279 254 L C -2.111 174.766 176.870 0.011 0.000 1.054 254 L CA -1.754 52.952 54.840 -0.223 0.000 0.804 254 L CB 0.301 41.967 42.059 -0.656 0.000 1.200 254 L HN -0.127 nan 8.230 nan 0.000 0.436 255 P HA -0.093 nan 4.420 nan 0.000 0.263 255 P C 0.072 177.505 177.300 0.221 0.000 1.162 255 P CA 0.328 63.511 63.100 0.139 0.000 0.758 255 P CB 0.517 32.310 31.700 0.155 0.000 0.773 256 D N 1.729 122.225 120.400 0.159 0.000 2.218 256 D HA -0.121 4.520 4.640 0.001 0.000 0.204 256 D C 1.091 177.464 176.300 0.122 0.000 0.976 256 D CA 1.207 55.296 54.000 0.149 0.000 0.853 256 D CB -0.222 40.633 40.800 0.091 0.000 0.939 256 D HN 0.629 nan 8.370 nan 0.000 0.481 257 N N -0.421 118.347 118.700 0.113 0.000 2.313 257 N HA -0.080 4.660 4.740 0.001 0.000 0.207 257 N C 0.459 176.025 175.510 0.094 0.000 1.141 257 N CA -0.397 52.695 53.050 0.070 0.000 0.830 257 N CB -0.048 38.462 38.487 0.037 0.000 1.008 257 N HN 0.081 nan 8.380 nan 0.000 0.481 258 H N 1.890 121.017 119.070 0.095 0.000 2.972 258 H HA 0.064 4.621 4.556 0.001 0.000 0.343 258 H C -1.392 173.968 175.328 0.054 0.000 1.054 258 H CA -0.685 55.442 56.048 0.133 0.000 1.412 258 H CB 1.100 31.067 29.762 0.342 0.000 1.385 258 H HN -0.039 nan 8.280 nan 0.000 0.600 259 P HA -0.172 nan 4.420 nan 0.000 0.216 259 P C 0.486 177.770 177.300 -0.027 0.000 1.150 259 P CA 1.639 64.647 63.100 -0.154 0.000 0.843 259 P CB 0.206 31.773 31.700 -0.223 0.000 0.787 260 Q N -0.968 118.960 119.800 0.215 0.000 2.415 260 Q HA 0.089 4.429 4.340 0.001 0.000 0.206 260 Q C 0.439 176.265 176.000 -0.289 0.000 0.946 260 Q CA -0.031 55.867 55.803 0.160 0.000 0.951 260 Q CB -0.108 28.894 28.738 0.440 0.000 1.026 260 Q HN 0.077 nan 8.270 nan 0.000 0.510 261 S N 0.220 115.652 115.700 -0.447 0.000 2.455 261 S HA 0.334 4.804 4.470 0.001 0.000 0.278 261 S C 0.584 174.904 174.600 -0.467 0.000 1.216 261 S CA -0.305 57.375 58.200 -0.868 0.000 1.055 261 S CB 0.882 63.784 63.200 -0.496 0.000 0.939 261 S HN 0.363 nan 8.310 nan 0.000 0.494 262 A N 4.710 127.257 122.820 -0.454 0.000 2.379 262 A HA 0.562 4.882 4.320 0.001 0.000 0.236 262 A C 1.921 179.391 177.584 -0.191 0.000 1.272 262 A CA 0.476 52.356 52.037 -0.262 0.000 0.886 262 A CB -0.587 18.281 19.000 -0.220 0.000 0.962 262 A HN 1.062 nan 8.150 nan 0.000 0.504 263 A N 0.428 123.126 122.820 -0.204 0.000 1.917 263 A HA 0.040 4.360 4.320 0.001 0.000 0.219 263 A C 2.318 179.846 177.584 -0.092 0.000 1.182 263 A CA 1.912 53.877 52.037 -0.120 0.000 0.633 263 A CB -0.806 18.139 19.000 -0.090 0.000 0.819 263 A HN 1.176 nan 8.150 nan 0.000 0.448 264 A N -2.076 120.686 122.820 -0.097 0.000 2.216 264 A HA 0.099 4.419 4.320 0.001 0.000 0.214 264 A C 1.731 179.271 177.584 -0.074 0.000 1.160 264 A CA 1.909 53.900 52.037 -0.077 0.000 0.725 264 A CB -0.512 18.441 19.000 -0.078 0.000 0.784 264 A HN 0.526 nan 8.150 nan 0.000 0.472 265 T N -1.847 112.661 114.554 -0.077 0.000 3.516 265 T HA 0.206 4.557 4.350 0.001 0.000 0.300 265 T C 1.175 175.864 174.700 -0.019 0.000 0.995 265 T CA 0.057 62.131 62.100 -0.043 0.000 0.982 265 T CB -0.490 68.349 68.868 -0.049 0.000 1.199 265 T HN 0.538 nan 8.240 nan 0.000 0.481 266 R N 1.017 121.483 120.500 -0.056 0.000 2.115 266 R HA -0.125 4.215 4.340 0.001 0.000 0.239 266 R C 2.411 178.655 176.300 -0.094 0.000 1.133 266 R CA 2.397 58.448 56.100 -0.082 0.000 0.935 266 R CB -0.722 29.524 30.300 -0.091 0.000 0.853 266 R HN 0.417 nan 8.270 nan 0.000 0.433 267 A N 0.119 122.899 122.820 -0.068 0.000 1.927 267 A HA -0.239 4.081 4.320 0.001 0.000 0.220 267 A C 2.109 179.678 177.584 -0.026 0.000 1.185 267 A CA 1.759 53.754 52.037 -0.072 0.000 0.639 267 A CB -0.922 18.063 19.000 -0.026 0.000 0.820 267 A HN 0.608 nan 8.150 nan 0.000 0.451 268 F N 0.513 120.404 119.950 -0.099 0.000 2.163 268 F HA 0.102 4.630 4.527 0.001 0.000 0.297 268 F C 2.539 178.323 175.800 -0.027 0.000 1.094 268 F CA 0.933 58.896 58.000 -0.061 0.000 1.290 268 F CB -0.506 38.453 39.000 -0.069 0.000 1.017 268 F HN 0.241 nan 8.300 nan 0.000 0.483 269 A N 0.649 123.440 122.820 -0.049 0.000 1.940 269 A HA -0.137 4.183 4.320 0.001 0.000 0.219 269 A C 2.304 179.853 177.584 -0.059 0.000 1.176 269 A CA 1.852 53.854 52.037 -0.058 0.000 0.631 269 A CB -1.096 17.875 19.000 -0.048 0.000 0.814 269 A HN 0.489 nan 8.150 nan 0.000 0.446 270 L N -1.118 119.975 121.223 -0.216 0.000 2.023 270 L HA -0.121 4.219 4.340 0.001 0.000 0.205 270 L C 3.097 179.794 176.870 -0.288 0.000 1.073 270 L CA 1.075 55.671 54.840 -0.408 0.000 0.745 270 L CB -0.697 40.856 42.059 -0.842 0.000 0.900 270 L HN 0.413 nan 8.230 nan 0.000 0.435 271 A N -0.761 121.901 122.820 -0.264 0.000 2.019 271 A HA -0.188 4.132 4.320 0.001 0.000 0.219 271 A C 2.201 179.698 177.584 -0.146 0.000 1.164 271 A CA 1.324 53.269 52.037 -0.153 0.000 0.644 271 A CB -0.230 18.693 19.000 -0.128 0.000 0.805 271 A HN 0.445 nan 8.150 nan 0.000 0.449 272 Q N -0.549 119.110 119.800 -0.235 0.000 2.339 272 Q HA 0.042 4.382 4.340 0.001 0.000 0.205 272 Q C 1.495 177.374 176.000 -0.201 0.000 0.925 272 Q CA 0.713 56.385 55.803 -0.219 0.000 0.898 272 Q CB -1.040 27.486 28.738 -0.354 0.000 1.013 272 Q HN 0.852 nan 8.270 nan 0.000 0.504 273 C N 2.258 121.490 119.300 -0.115 0.000 2.775 273 C HA 0.102 4.562 4.460 0.001 0.000 0.391 273 C C 1.397 176.257 174.990 -0.218 0.000 1.295 273 C CA 0.013 58.890 59.018 -0.235 0.000 2.119 273 C CB 0.362 28.103 27.740 0.002 0.000 2.705 273 C HN 0.556 nan 8.230 nan 0.000 0.710 274 D N 0.007 120.245 120.400 -0.271 0.000 2.482 274 D HA 0.091 4.732 4.640 0.001 0.000 0.251 274 D C 0.059 176.244 176.300 -0.192 0.000 1.073 274 D CA 0.241 54.115 54.000 -0.211 0.000 0.892 274 D CB -0.033 40.632 40.800 -0.227 0.000 1.202 274 D HN 0.474 nan 8.370 nan 0.000 0.496 275 V N 1.294 121.102 119.914 -0.177 0.000 2.444 275 V HA 0.325 4.445 4.120 0.001 0.000 0.294 275 V C -0.718 175.333 176.094 -0.072 0.000 1.022 275 V CA -1.065 61.152 62.300 -0.138 0.000 0.850 275 V CB 1.918 33.682 31.823 -0.098 0.000 0.992 275 V HN 0.387 nan 8.190 nan 0.000 0.426 276 C N 6.538 125.783 119.300 -0.091 0.000 2.319 276 C HA 0.727 5.187 4.460 0.001 0.000 0.323 276 C C -0.100 174.979 174.990 0.148 0.000 1.277 276 C CA -0.315 58.748 59.018 0.074 0.000 1.517 276 C CB 0.549 28.387 27.740 0.165 0.000 2.206 276 C HN 0.687 nan 8.230 nan 0.000 0.486 277 V N 8.289 128.295 119.914 0.153 0.000 2.348 277 V HA 0.314 4.434 4.120 0.001 0.000 0.270 277 V C 0.083 176.270 176.094 0.155 0.000 1.037 277 V CA -0.118 62.265 62.300 0.138 0.000 0.872 277 V CB 0.958 32.841 31.823 0.101 0.000 1.002 277 V HN 0.733 nan 8.190 nan 0.000 0.464 278 L N 6.737 128.050 121.223 0.151 0.000 2.260 278 L HA 0.530 4.871 4.340 0.001 0.000 0.289 278 L C -0.303 176.611 176.870 0.074 0.000 1.057 278 L CA -0.032 54.877 54.840 0.117 0.000 0.811 278 L CB 0.902 43.011 42.059 0.083 0.000 1.184 278 L HN 0.503 nan 8.230 nan 0.000 0.429 279 I N 3.499 124.110 120.570 0.068 0.000 2.405 279 I HA 0.290 4.461 4.170 0.001 0.000 0.280 279 I C 0.958 177.103 176.117 0.047 0.000 1.027 279 I CA -0.415 60.914 61.300 0.049 0.000 1.161 279 I CB 1.353 39.377 38.000 0.040 0.000 1.300 279 I HN 0.849 nan 8.210 nan 0.000 0.463 280 G N 4.889 113.714 108.800 0.042 0.000 2.295 280 G HA2 -0.088 3.872 3.960 0.001 0.000 0.287 280 G HA3 -0.088 3.872 3.960 0.001 0.000 0.287 280 G C -0.000 174.922 174.900 0.036 0.000 1.055 280 G CA 0.287 45.414 45.100 0.046 0.000 0.922 280 G HN 0.960 nan 8.290 nan 0.000 0.503 281 A N -0.286 122.546 122.820 0.021 0.000 2.408 281 A HA 0.828 5.148 4.320 0.001 0.000 0.295 281 A C 0.113 177.686 177.584 -0.020 0.000 1.040 281 A CA -0.663 51.377 52.037 0.005 0.000 0.707 281 A CB 1.165 20.181 19.000 0.028 0.000 1.235 281 A HN 0.456 nan 8.150 nan 0.000 0.418 282 R N 1.053 121.527 120.500 -0.044 0.000 2.357 282 R HA 0.301 4.641 4.340 0.001 0.000 0.296 282 R C -0.181 176.073 176.300 -0.077 0.000 1.052 282 R CA -0.698 55.367 56.100 -0.058 0.000 0.988 282 R CB 0.985 31.256 30.300 -0.049 0.000 1.025 282 R HN 0.559 nan 8.270 nan 0.000 0.469 283 L N 4.992 126.153 121.223 -0.103 0.000 2.821 283 L HA 0.048 4.388 4.340 0.001 0.000 0.239 283 L C 0.277 177.105 176.870 -0.070 0.000 1.391 283 L CA 0.385 55.141 54.840 -0.140 0.000 1.231 283 L CB -1.397 40.483 42.059 -0.298 0.000 1.598 283 L HN 0.625 nan 8.230 nan 0.000 0.428 284 N N -1.868 116.781 118.700 -0.085 0.000 2.547 284 N HA 0.060 4.800 4.740 0.001 0.000 0.301 284 N C 1.114 176.355 175.510 -0.448 0.000 1.328 284 N CA -0.297 52.709 53.050 -0.074 0.000 0.932 284 N CB -0.251 38.276 38.487 0.066 0.000 1.104 284 N HN 0.319 nan 8.380 nan 0.000 0.548 285 W N -0.093 120.902 121.300 -0.509 0.000 2.342 285 W HA -0.078 4.582 4.660 0.000 0.000 0.297 285 W C 1.166 177.560 176.519 -0.209 0.000 1.213 285 W CA 0.405 57.458 57.345 -0.486 0.000 1.251 285 W CB -1.256 28.117 29.460 -0.145 0.000 1.136 285 W HN 0.332 nan 8.180 nan 0.000 0.526 286 L N 0.779 121.313 121.223 -1.149 0.000 2.450 286 L HA -0.087 4.254 4.340 0.001 0.000 0.224 286 L C 2.184 178.818 176.870 -0.392 0.000 1.149 286 L CA 0.989 55.238 54.840 -0.985 0.000 0.816 286 L CB -0.369 41.118 42.059 -0.953 0.000 0.932 286 L HN -0.034 nan 8.230 nan 0.000 0.449 287 M N -1.297 118.163 119.600 -0.233 0.000 2.502 287 M HA 0.126 4.606 4.480 0.001 0.000 0.351 287 M C -0.015 176.419 176.300 0.222 0.000 1.118 287 M CA 0.019 55.355 55.300 0.059 0.000 0.952 287 M CB 1.065 33.747 32.600 0.137 0.000 1.424 287 M HN -0.030 nan 8.290 nan 0.000 0.529 288 Q N -0.208 119.612 119.800 0.035 0.000 2.468 288 Q HA -0.216 4.125 4.340 0.001 0.000 0.256 288 Q C -0.034 176.050 176.000 0.140 0.000 0.984 288 Q CA 0.979 56.857 55.803 0.124 0.000 1.110 288 Q CB -2.515 26.399 28.738 0.294 0.000 1.527 288 Q HN 0.604 nan 8.270 nan 0.000 0.535 289 H N -3.604 115.525 119.070 0.098 0.000 3.010 289 H HA -0.254 4.302 4.556 0.001 0.000 0.272 289 H C 1.335 176.557 175.328 -0.177 0.000 1.151 289 H CA 1.938 57.974 56.048 -0.020 0.000 1.159 289 H CB -1.692 28.079 29.762 0.016 0.000 1.295 289 H HN 1.002 nan 8.280 nan 0.000 0.344 290 G N -0.272 108.381 108.800 -0.246 0.000 2.168 290 G HA2 -0.337 3.624 3.960 0.001 0.000 0.263 290 G HA3 -0.337 3.624 3.960 0.001 0.000 0.263 290 G C 0.319 174.918 174.900 -0.502 0.000 0.977 290 G CA 1.093 45.673 45.100 -0.867 0.000 0.659 290 G HN 0.581 nan 8.290 nan 0.000 0.533 291 K N -0.548 119.820 120.400 -0.054 0.000 2.313 291 K HA 0.744 5.064 4.320 0.001 0.000 0.235 291 K C 0.710 177.472 176.600 0.271 0.000 1.035 291 K CA -0.267 56.081 56.287 0.102 0.000 0.868 291 K CB 1.741 34.298 32.500 0.094 0.000 1.232 291 K HN 1.447 nan 8.250 nan 0.000 0.459 292 G N 0.699 109.622 108.800 0.206 0.000 2.756 292 G HA2 -0.255 3.706 3.960 0.001 0.000 0.678 292 G HA3 -0.255 3.706 3.960 0.001 0.000 0.678 292 G C 0.158 175.179 174.900 0.202 0.000 1.349 292 G CA 0.083 45.300 45.100 0.195 0.000 0.847 292 G HN 0.655 nan 8.290 nan 0.000 0.548 293 K N -0.553 119.926 120.400 0.131 0.000 2.362 293 K HA -0.067 4.253 4.320 0.001 0.000 0.200 293 K C 2.745 179.383 176.600 0.062 0.000 1.046 293 K CA 2.242 58.585 56.287 0.093 0.000 0.952 293 K CB -0.421 32.115 32.500 0.060 0.000 0.753 293 K HN 0.882 nan 8.250 nan 0.000 0.466 294 T N -2.367 112.218 114.554 0.052 0.000 2.929 294 T HA -0.150 4.201 4.350 0.001 0.000 0.271 294 T C 0.880 175.401 174.700 -0.298 0.000 1.085 294 T CA 0.714 62.737 62.100 -0.127 0.000 1.125 294 T CB -0.279 68.489 68.868 -0.167 0.000 0.874 294 T HN 0.404 nan 8.240 nan 0.000 0.494 295 W N 1.276 122.594 121.300 0.029 0.000 2.862 295 W HA 0.622 5.283 4.660 0.001 0.000 0.426 295 W C 1.399 177.919 176.519 0.001 0.000 0.950 295 W CA -0.613 56.746 57.345 0.023 0.000 2.150 295 W CB -0.143 29.352 29.460 0.059 0.000 1.161 295 W HN 0.365 nan 8.180 nan 0.000 0.696 296 G N 1.554 110.429 108.800 0.126 0.000 2.283 296 G HA2 -0.353 3.607 3.960 0.001 0.000 0.280 296 G HA3 -0.353 3.607 3.960 0.001 0.000 0.280 296 G C 0.200 175.159 174.900 0.097 0.000 1.029 296 G CA 0.357 45.505 45.100 0.079 0.000 0.840 296 G HN 0.384 nan 8.290 nan 0.000 0.505 297 D N -0.257 120.222 120.400 0.132 0.000 2.740 297 D HA -0.166 4.474 4.640 0.001 0.000 0.231 297 D C 0.584 176.933 176.300 0.081 0.000 1.194 297 D CA 2.057 56.121 54.000 0.106 0.000 0.673 297 D CB -0.887 39.957 40.800 0.074 0.000 0.995 297 D HN 1.158 nan 8.370 nan 0.000 0.411 298 E N -1.418 118.840 120.200 0.097 0.000 2.380 298 E HA 0.426 4.777 4.350 0.001 0.000 0.281 298 E C -1.096 175.532 176.600 0.047 0.000 0.999 298 E CA -1.107 55.326 56.400 0.055 0.000 0.800 298 E CB 1.174 30.894 29.700 0.034 0.000 1.228 298 E HN -0.015 nan 8.360 nan 0.000 0.436 299 L N 2.227 123.458 121.223 0.013 0.000 2.361 299 L HA 0.315 4.655 4.340 0.001 0.000 0.278 299 L C -0.622 176.208 176.870 -0.067 0.000 1.113 299 L CA -0.034 54.804 54.840 -0.003 0.000 0.849 299 L CB 0.213 42.276 42.059 0.006 0.000 1.155 299 L HN 0.435 nan 8.230 nan 0.000 0.452 300 K N 4.533 124.822 120.400 -0.185 0.000 2.090 300 K HA 0.298 4.619 4.320 0.001 0.000 0.250 300 K C -0.439 175.890 176.600 -0.453 0.000 1.004 300 K CA -0.563 55.497 56.287 -0.379 0.000 0.919 300 K CB 0.705 32.837 32.500 -0.613 0.000 1.045 300 K HN 0.497 nan 8.250 nan 0.000 0.471 301 K N 2.018 122.208 120.400 -0.350 0.000 2.284 301 K HA 0.169 4.489 4.320 0.001 0.000 0.287 301 K C -0.739 175.692 176.600 -0.281 0.000 1.081 301 K CA -0.121 56.038 56.287 -0.213 0.000 0.910 301 K CB 0.266 32.690 32.500 -0.127 0.000 1.088 301 K HN 0.355 nan 8.250 nan 0.000 0.478 302 Y N 1.273 121.548 120.300 -0.043 0.000 2.323 302 Y HA 0.229 4.779 4.550 0.001 0.000 0.331 302 Y C 0.339 176.227 175.900 -0.020 0.000 1.092 302 Y CA -0.916 57.163 58.100 -0.036 0.000 1.150 302 Y CB 1.317 39.735 38.460 -0.071 0.000 1.200 302 Y HN 0.161 nan 8.280 nan 0.000 0.472 303 V N 3.784 123.791 119.914 0.154 0.000 2.483 303 V HA 0.403 4.523 4.120 0.001 0.000 0.295 303 V C -0.575 175.584 176.094 0.109 0.000 1.035 303 V CA -0.760 61.601 62.300 0.102 0.000 0.896 303 V CB 1.489 33.353 31.823 0.069 0.000 0.986 303 V HN 0.762 nan 8.190 nan 0.000 0.447 304 Q N 3.997 123.838 119.800 0.067 0.000 2.271 304 Q HA 0.618 4.958 4.340 0.001 0.000 0.268 304 Q C -1.843 174.175 176.000 0.030 0.000 1.021 304 Q CA -0.548 55.282 55.803 0.045 0.000 0.802 304 Q CB 2.161 30.906 28.738 0.011 0.000 1.282 304 Q HN 0.764 nan 8.270 nan 0.000 0.431 305 I N 3.433 124.022 120.570 0.031 0.000 2.362 305 I HA 0.500 4.670 4.170 0.001 0.000 0.289 305 I C -0.778 175.352 176.117 0.023 0.000 0.994 305 I CA -0.473 60.843 61.300 0.026 0.000 1.158 305 I CB 1.511 39.528 38.000 0.029 0.000 1.315 305 I HN 0.586 nan 8.210 nan 0.000 0.451 306 D N 5.055 125.466 120.400 0.018 0.000 2.717 306 D HA 0.220 4.860 4.640 0.001 0.000 0.223 306 D C 0.050 176.361 176.300 0.017 0.000 1.240 306 D CA -0.495 53.514 54.000 0.016 0.000 0.801 306 D CB 2.867 43.669 40.800 0.003 0.000 1.556 306 D HN 0.497 nan 8.370 nan 0.000 0.462 307 I N 1.394 121.977 120.570 0.022 0.000 2.928 307 I HA -0.091 4.080 4.170 0.001 0.000 0.266 307 I C 0.461 176.586 176.117 0.014 0.000 1.234 307 I CA 0.752 62.067 61.300 0.024 0.000 1.483 307 I CB 0.265 38.287 38.000 0.037 0.000 1.097 307 I HN 0.193 nan 8.210 nan 0.000 0.455 308 Q N 0.640 120.443 119.800 0.005 0.000 2.377 308 Q HA 0.321 4.662 4.340 0.001 0.000 0.249 308 Q C 0.757 176.755 176.000 -0.004 0.000 1.005 308 Q CA 0.336 56.137 55.803 -0.002 0.000 0.912 308 Q CB 1.490 30.221 28.738 -0.013 0.000 1.223 308 Q HN 0.350 nan 8.270 nan 0.000 0.459 309 A N 4.284 127.103 122.820 -0.001 0.000 1.883 309 A HA -0.198 4.122 4.320 0.001 0.000 0.217 309 A C 1.397 178.976 177.584 -0.008 0.000 1.186 309 A CA 1.876 53.911 52.037 -0.003 0.000 0.624 309 A CB -0.626 18.375 19.000 0.000 0.000 0.822 309 A HN 0.894 nan 8.150 nan 0.000 0.444 310 N N -0.141 118.553 118.700 -0.010 0.000 2.501 310 N HA -0.064 4.676 4.740 0.001 0.000 0.195 310 N C 0.911 176.410 175.510 -0.019 0.000 1.213 310 N CA 1.185 54.226 53.050 -0.014 0.000 0.864 310 N CB 0.021 38.501 38.487 -0.012 0.000 0.999 310 N HN 0.529 nan 8.380 nan 0.000 0.454 311 E N 0.219 120.407 120.200 -0.021 0.000 2.299 311 E HA 0.061 4.411 4.350 0.001 0.000 0.193 311 E C 0.351 176.929 176.600 -0.037 0.000 0.998 311 E CA 0.252 56.636 56.400 -0.028 0.000 0.851 311 E CB -0.025 29.658 29.700 -0.028 0.000 0.795 311 E HN 0.207 nan 8.360 nan 0.000 0.492 312 M N 1.595 121.176 119.600 -0.032 0.000 2.239 312 M HA 0.035 4.516 4.480 0.001 0.000 0.348 312 M C -0.125 176.149 176.300 -0.043 0.000 1.239 312 M CA 0.722 56.000 55.300 -0.038 0.000 1.114 312 M CB 0.290 32.877 32.600 -0.023 0.000 1.641 312 M HN 0.060 nan 8.290 nan 0.000 0.453 313 D N 0.282 120.647 120.400 -0.060 0.000 3.012 313 D HA -0.147 4.493 4.640 0.001 0.000 0.222 313 D C 1.068 177.332 176.300 -0.060 0.000 1.167 313 D CA 1.261 55.226 54.000 -0.060 0.000 0.854 313 D CB -1.255 39.522 40.800 -0.038 0.000 1.107 313 D HN 0.825 nan 8.370 nan 0.000 0.421 314 S N -1.140 114.521 115.700 -0.065 0.000 2.428 314 S HA -0.051 4.420 4.470 0.001 0.000 0.230 314 S C 1.498 176.064 174.600 -0.057 0.000 1.014 314 S CA 1.273 59.443 58.200 -0.050 0.000 0.957 314 S CB 0.253 63.431 63.200 -0.037 0.000 0.784 314 S HN 0.323 nan 8.310 nan 0.000 0.499 315 N N -0.421 118.229 118.700 -0.084 0.000 2.559 315 N HA 0.263 5.004 4.740 0.001 0.000 0.247 315 N C -0.235 175.208 175.510 -0.112 0.000 1.063 315 N CA 0.101 53.099 53.050 -0.086 0.000 0.876 315 N CB 0.449 38.905 38.487 -0.052 0.000 1.608 315 N HN 0.143 nan 8.380 nan 0.000 0.467 316 Q N -0.029 119.673 119.800 -0.163 0.000 2.421 316 Q HA 0.488 4.829 4.340 0.001 0.000 0.280 316 Q C -2.788 173.150 176.000 -0.103 0.000 1.085 316 Q CA -1.851 53.870 55.803 -0.137 0.000 0.807 316 Q CB 1.917 30.536 28.738 -0.198 0.000 1.405 316 Q HN -0.021 nan 8.270 nan 0.000 0.419 317 P HA 0.131 nan 4.420 nan 0.000 0.268 317 P C -0.561 176.754 177.300 0.027 0.000 1.205 317 P CA 0.003 63.098 63.100 -0.009 0.000 0.771 317 P CB 0.476 32.180 31.700 0.006 0.000 0.858 318 I N 2.637 123.215 120.570 0.013 0.000 2.328 318 I HA 0.183 4.353 4.170 0.001 0.000 0.287 318 I C 1.358 177.505 176.117 0.050 0.000 1.012 318 I CA -0.553 60.776 61.300 0.049 0.000 1.195 318 I CB 0.565 38.568 38.000 0.005 0.000 1.350 318 I HN 0.415 nan 8.210 nan 0.000 0.464 319 A N 5.542 128.403 122.820 0.069 0.000 1.972 319 A HA 0.163 4.483 4.320 0.001 0.000 0.219 319 A C 1.196 178.796 177.584 0.026 0.000 1.169 319 A CA 1.450 53.508 52.037 0.034 0.000 0.635 319 A CB 0.078 19.090 19.000 0.019 0.000 0.810 319 A HN 0.754 nan 8.150 nan 0.000 0.446 320 A N 0.316 123.158 122.820 0.038 0.000 2.943 320 A HA 0.588 4.908 4.320 0.001 0.000 0.327 320 A C -2.978 174.624 177.584 0.030 0.000 1.141 320 A CA -1.397 50.657 52.037 0.028 0.000 0.773 320 A CB 0.632 19.647 19.000 0.026 0.000 1.143 320 A HN 0.202 nan 8.150 nan 0.000 0.463 321 P HA 0.372 nan 4.420 nan 0.000 0.280 321 P C -0.557 176.751 177.300 0.014 0.000 1.244 321 P CA -0.080 63.029 63.100 0.015 0.000 0.784 321 P CB 1.840 33.544 31.700 0.006 0.000 0.913 322 V N 4.590 124.514 119.914 0.015 0.000 2.357 322 V HA 0.164 4.284 4.120 0.001 0.000 0.281 322 V C 0.229 176.331 176.094 0.014 0.000 1.015 322 V CA -0.726 61.583 62.300 0.015 0.000 0.827 322 V CB 1.874 33.708 31.823 0.019 0.000 1.018 322 V HN 0.268 nan 8.190 nan 0.000 0.432 323 V N 4.276 124.197 119.914 0.011 0.000 2.383 323 V HA 0.987 5.107 4.120 0.001 0.000 0.275 323 V C 0.744 176.847 176.094 0.014 0.000 1.036 323 V CA 0.540 62.847 62.300 0.011 0.000 0.889 323 V CB 0.900 32.728 31.823 0.008 0.000 0.985 323 V HN 1.128 nan 8.190 nan 0.000 0.459 324 G N 3.816 112.627 108.800 0.018 0.000 2.337 324 G HA2 0.193 4.154 3.960 0.001 0.000 0.298 324 G HA3 0.193 4.154 3.960 0.001 0.000 0.298 324 G C -1.376 173.540 174.900 0.026 0.000 1.335 324 G CA -0.525 44.587 45.100 0.020 0.000 0.875 324 G HN 0.756 nan 8.290 nan 0.000 0.579 325 D N -0.433 119.985 120.400 0.029 0.000 2.372 325 D HA 0.168 4.808 4.640 0.001 0.000 0.243 325 D C 1.463 177.781 176.300 0.030 0.000 1.121 325 D CA -0.474 53.548 54.000 0.037 0.000 0.898 325 D CB 1.673 42.495 40.800 0.037 0.000 1.202 325 D HN 0.339 nan 8.370 nan 0.000 0.428 326 I N 0.985 121.577 120.570 0.036 0.000 2.264 326 I HA -0.303 3.867 4.170 0.001 0.000 0.248 326 I C 2.674 178.797 176.117 0.010 0.000 1.111 326 I CA 1.372 62.687 61.300 0.026 0.000 1.382 326 I CB -0.316 37.705 38.000 0.035 0.000 1.060 326 I HN 0.509 nan 8.210 nan 0.000 0.418 327 K N 0.757 121.160 120.400 0.004 0.000 2.057 327 K HA -0.136 4.185 4.320 0.001 0.000 0.206 327 K C 2.237 178.835 176.600 -0.003 0.000 1.050 327 K CA 1.682 57.965 56.287 -0.007 0.000 0.935 327 K CB 0.028 32.518 32.500 -0.016 0.000 0.715 327 K HN 0.117 nan 8.250 nan 0.000 0.439 328 S N 0.427 116.129 115.700 0.003 0.000 2.355 328 S HA -0.108 4.362 4.470 0.001 0.000 0.222 328 S C 2.030 176.633 174.600 0.006 0.000 1.031 328 S CA 1.119 59.322 58.200 0.005 0.000 0.993 328 S CB -0.302 62.903 63.200 0.008 0.000 0.859 328 S HN 0.526 nan 8.310 nan 0.000 0.453 329 A N 1.106 123.931 122.820 0.009 0.000 1.873 329 A HA -0.029 4.292 4.320 0.001 0.000 0.215 329 A C 2.333 179.921 177.584 0.008 0.000 1.186 329 A CA 1.442 53.486 52.037 0.011 0.000 0.616 329 A CB -0.906 18.103 19.000 0.015 0.000 0.823 329 A HN 0.335 nan 8.150 nan 0.000 0.442 330 V N -0.218 119.700 119.914 0.005 0.000 2.427 330 V HA -0.198 3.922 4.120 0.001 0.000 0.248 330 V C 2.823 178.916 176.094 -0.001 0.000 1.051 330 V CA 2.210 64.511 62.300 0.001 0.000 1.048 330 V CB -0.635 31.184 31.823 -0.006 0.000 0.666 330 V HN 0.693 nan 8.190 nan 0.000 0.456 331 S N -0.265 115.434 115.700 -0.002 0.000 2.368 331 S HA -0.153 4.318 4.470 0.001 0.000 0.225 331 S C 1.925 176.526 174.600 0.001 0.000 1.030 331 S CA 1.675 59.873 58.200 -0.003 0.000 0.999 331 S CB -0.272 62.926 63.200 -0.004 0.000 0.844 331 S HN 0.537 nan 8.310 nan 0.000 0.459 332 L N 0.569 121.794 121.223 0.003 0.000 2.109 332 L HA 0.008 4.349 4.340 0.001 0.000 0.207 332 L C 2.474 179.348 176.870 0.007 0.000 1.086 332 L CA 0.687 55.530 54.840 0.005 0.000 0.760 332 L CB -0.488 41.575 42.059 0.006 0.000 0.910 332 L HN 0.352 nan 8.230 nan 0.000 0.437 333 L N -0.118 121.110 121.223 0.008 0.000 2.093 333 L HA -0.142 4.198 4.340 0.001 0.000 0.208 333 L C 2.692 179.568 176.870 0.010 0.000 1.085 333 L CA 1.609 56.456 54.840 0.010 0.000 0.755 333 L CB -0.493 41.574 42.059 0.013 0.000 0.904 333 L HN 0.080 nan 8.230 nan 0.000 0.435 334 R N -0.391 120.113 120.500 0.007 0.000 2.092 334 R HA -0.164 4.176 4.340 0.001 0.000 0.231 334 R C 2.282 178.586 176.300 0.007 0.000 1.119 334 R CA 1.415 57.520 56.100 0.007 0.000 0.970 334 R CB -0.305 29.996 30.300 0.003 0.000 0.864 334 R HN 0.382 nan 8.270 nan 0.000 0.440 335 K N 0.655 121.058 120.400 0.006 0.000 2.148 335 K HA -0.066 4.254 4.320 0.001 0.000 0.204 335 K C 1.798 178.402 176.600 0.007 0.000 1.050 335 K CA 1.293 57.583 56.287 0.006 0.000 0.942 335 K CB 0.035 32.538 32.500 0.004 0.000 0.724 335 K HN 0.117 nan 8.250 nan 0.000 0.446 336 A N 0.573 123.397 122.820 0.008 0.000 2.072 336 A HA 0.079 4.399 4.320 0.001 0.000 0.216 336 A C 1.675 179.265 177.584 0.009 0.000 1.156 336 A CA 0.548 52.590 52.037 0.008 0.000 0.701 336 A CB -0.031 18.974 19.000 0.008 0.000 0.816 336 A HN 0.302 nan 8.150 nan 0.000 0.458 337 L N -0.861 120.368 121.223 0.011 0.000 2.640 337 L HA 0.162 4.502 4.340 0.001 0.000 0.230 337 L C 0.654 177.533 176.870 0.014 0.000 1.123 337 L CA -0.225 54.623 54.840 0.014 0.000 0.900 337 L CB -0.019 42.051 42.059 0.017 0.000 1.146 337 L HN 0.171 nan 8.230 nan 0.000 0.484 338 K N 1.002 121.409 120.400 0.012 0.000 2.430 338 K HA 0.202 4.522 4.320 0.001 0.000 0.280 338 K C 1.168 177.775 176.600 0.012 0.000 1.063 338 K CA 1.125 57.419 56.287 0.012 0.000 1.071 338 K CB 0.149 32.654 32.500 0.009 0.000 0.899 338 K HN 0.222 nan 8.250 nan 0.000 0.473 339 G N 2.118 110.926 108.800 0.014 0.000 2.217 339 G HA2 -0.283 3.677 3.960 0.001 0.000 0.246 339 G HA3 -0.283 3.677 3.960 0.001 0.000 0.246 339 G C 0.175 175.084 174.900 0.015 0.000 0.990 339 G CA -0.046 45.062 45.100 0.013 0.000 0.627 339 G HN 0.921 nan 8.290 nan 0.000 0.522 340 A N 0.855 123.685 122.820 0.016 0.000 2.407 340 A HA 0.669 4.990 4.320 0.001 0.000 0.248 340 A C -1.174 176.423 177.584 0.022 0.000 1.082 340 A CA -0.451 51.596 52.037 0.017 0.000 0.785 340 A CB -0.099 18.911 19.000 0.016 0.000 1.020 340 A HN 0.237 nan 8.150 nan 0.000 0.489 341 P HA 0.111 nan 4.420 nan 0.000 0.266 341 P C -0.128 177.193 177.300 0.036 0.000 1.195 341 P CA 0.160 63.276 63.100 0.027 0.000 0.768 341 P CB 0.431 32.145 31.700 0.023 0.000 0.838 342 K N 1.312 121.738 120.400 0.043 0.000 2.132 342 K HA 0.444 4.764 4.320 0.001 0.000 0.240 342 K C 0.469 177.112 176.600 0.071 0.000 1.036 342 K CA -0.635 55.687 56.287 0.058 0.000 0.888 342 K CB 0.229 32.765 32.500 0.061 0.000 1.071 342 K HN 0.523 nan 8.250 nan 0.000 0.502 343 A N 1.242 124.120 122.820 0.097 0.000 2.492 343 A HA -0.071 4.250 4.320 0.001 0.000 0.236 343 A C -0.136 177.528 177.584 0.133 0.000 1.078 343 A CA -0.074 52.042 52.037 0.132 0.000 0.773 343 A CB -0.002 19.122 19.000 0.207 0.000 1.023 343 A HN 0.745 nan 8.150 nan 0.000 0.504 344 D N 1.179 121.668 120.400 0.149 0.000 2.401 344 D HA 0.347 4.988 4.640 0.001 0.000 0.254 344 D C 1.196 177.601 176.300 0.174 0.000 1.192 344 D CA 0.834 54.918 54.000 0.139 0.000 0.885 344 D CB 0.849 41.722 40.800 0.121 0.000 1.147 344 D HN 0.571 nan 8.370 nan 0.000 0.478 345 A N 4.201 127.088 122.820 0.112 0.000 1.986 345 A HA -0.253 4.067 4.320 0.001 0.000 0.220 345 A C 1.893 179.533 177.584 0.094 0.000 1.171 345 A CA 1.982 54.071 52.037 0.087 0.000 0.640 345 A CB -0.699 18.335 19.000 0.056 0.000 0.811 345 A HN 0.836 nan 8.150 nan 0.000 0.451 346 E N -1.494 118.779 120.200 0.122 0.000 2.204 346 E HA -0.203 4.147 4.350 0.001 0.000 0.194 346 E C 1.931 178.650 176.600 0.198 0.000 0.989 346 E CA 0.926 57.402 56.400 0.128 0.000 0.824 346 E CB -0.446 29.327 29.700 0.122 0.000 0.756 346 E HN 0.855 nan 8.360 nan 0.000 0.477 347 W N 2.420 123.738 121.300 0.030 0.000 2.452 347 W HA -0.163 4.497 4.660 0.001 0.000 0.313 347 W C 2.169 178.713 176.519 0.042 0.000 1.176 347 W CA 2.088 59.456 57.345 0.038 0.000 1.350 347 W CB -0.446 29.027 29.460 0.023 0.000 1.148 347 W HN 0.229 nan 8.180 nan 0.000 0.498 348 T N -1.489 113.032 114.554 -0.055 0.000 2.833 348 T HA -0.096 4.255 4.350 0.001 0.000 0.269 348 T C 1.888 176.488 174.700 -0.166 0.000 1.054 348 T CA 1.664 63.647 62.100 -0.196 0.000 1.135 348 T CB -1.092 67.764 68.868 -0.020 0.000 0.869 348 T HN 0.174 nan 8.240 nan 0.000 0.466 349 G N 0.935 109.690 108.800 -0.076 0.000 2.408 349 G HA2 0.223 4.183 3.960 0.001 0.000 0.215 349 G HA3 0.223 4.183 3.960 0.001 0.000 0.215 349 G C 1.895 176.740 174.900 -0.091 0.000 1.156 349 G CA 0.509 45.570 45.100 -0.064 0.000 0.793 349 G HN 0.714 nan 8.290 nan 0.000 0.535 350 A N 0.337 123.108 122.820 -0.082 0.000 2.019 350 A HA 0.175 4.496 4.320 0.001 0.000 0.219 350 A C 2.350 179.842 177.584 -0.153 0.000 1.164 350 A CA 0.950 52.943 52.037 -0.073 0.000 0.644 350 A CB -0.238 18.789 19.000 0.046 0.000 0.805 350 A HN 0.368 nan 8.150 nan 0.000 0.449 351 L N -1.294 119.773 121.223 -0.259 0.000 2.102 351 L HA -0.070 4.270 4.340 0.001 0.000 0.202 351 L C 2.510 179.259 176.870 -0.203 0.000 1.076 351 L CA 1.459 56.137 54.840 -0.270 0.000 0.761 351 L CB -0.423 41.366 42.059 -0.451 0.000 0.921 351 L HN 0.304 nan 8.230 nan 0.000 0.444 352 K N 1.168 121.457 120.400 -0.184 0.000 2.074 352 K HA -0.186 4.134 4.320 0.001 0.000 0.209 352 K C 2.013 178.540 176.600 -0.122 0.000 1.048 352 K CA 1.797 58.000 56.287 -0.139 0.000 0.926 352 K CB -0.449 31.984 32.500 -0.112 0.000 0.713 352 K HN 0.227 nan 8.250 nan 0.000 0.444 353 A N 0.658 123.405 122.820 -0.121 0.000 1.873 353 A HA -0.242 4.078 4.320 0.001 0.000 0.218 353 A C 2.096 179.602 177.584 -0.130 0.000 1.193 353 A CA 2.331 54.301 52.037 -0.112 0.000 0.629 353 A CB -0.693 18.242 19.000 -0.109 0.000 0.826 353 A HN 0.338 nan 8.150 nan 0.000 0.447 354 K N -0.551 119.748 120.400 -0.169 0.000 2.020 354 K HA -0.097 4.223 4.320 0.001 0.000 0.212 354 K C 1.861 178.379 176.600 -0.138 0.000 1.050 354 K CA 1.529 57.703 56.287 -0.188 0.000 0.929 354 K CB -0.793 31.559 32.500 -0.247 0.000 0.714 354 K HN 0.253 nan 8.250 nan 0.000 0.443 355 V N 1.790 121.627 119.914 -0.128 0.000 2.252 355 V HA -0.318 3.803 4.120 0.001 0.000 0.249 355 V C 1.620 177.661 176.094 -0.088 0.000 1.056 355 V CA 2.222 64.458 62.300 -0.107 0.000 1.022 355 V CB -0.514 31.239 31.823 -0.116 0.000 0.641 355 V HN 0.380 nan 8.190 nan 0.000 0.445 356 D N 0.395 120.743 120.400 -0.086 0.000 2.123 356 D HA -0.141 4.499 4.640 0.001 0.000 0.196 356 D C 2.161 178.422 176.300 -0.065 0.000 0.992 356 D CA 1.714 55.673 54.000 -0.069 0.000 0.833 356 D CB -0.644 40.117 40.800 -0.067 0.000 0.954 356 D HN 0.499 nan 8.370 nan 0.000 0.455 357 G N 1.316 110.070 108.800 -0.076 0.000 2.459 357 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 357 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 357 G C 1.592 176.455 174.900 -0.061 0.000 1.183 357 G CA 0.619 45.677 45.100 -0.070 0.000 0.776 357 G HN 0.196 nan 8.290 nan 0.000 0.552 358 N N 0.838 119.498 118.700 -0.067 0.000 2.120 358 N HA -0.080 4.660 4.740 0.001 0.000 0.188 358 N C 2.155 177.639 175.510 -0.043 0.000 1.024 358 N CA 1.067 54.084 53.050 -0.055 0.000 0.852 358 N CB -0.291 38.160 38.487 -0.060 0.000 1.003 358 N HN 0.370 nan 8.380 nan 0.000 0.424 359 K N 0.914 121.287 120.400 -0.045 0.000 2.063 359 K HA -0.028 4.292 4.320 0.001 0.000 0.208 359 K C 2.089 178.672 176.600 -0.028 0.000 1.048 359 K CA 1.239 57.505 56.287 -0.035 0.000 0.928 359 K CB -0.101 32.376 32.500 -0.038 0.000 0.713 359 K HN 0.139 nan 8.250 nan 0.000 0.442 360 A N 1.448 124.249 122.820 -0.032 0.000 1.930 360 A HA -0.168 4.152 4.320 0.001 0.000 0.217 360 A C 2.010 179.580 177.584 -0.022 0.000 1.175 360 A CA 1.389 53.410 52.037 -0.027 0.000 0.627 360 A CB -0.242 18.740 19.000 -0.031 0.000 0.815 360 A HN 0.175 nan 8.150 nan 0.000 0.443 361 K N -0.824 119.560 120.400 -0.026 0.000 2.057 361 K HA -0.098 4.223 4.320 0.001 0.000 0.206 361 K C 1.899 178.491 176.600 -0.014 0.000 1.050 361 K CA 1.329 57.603 56.287 -0.021 0.000 0.935 361 K CB -0.256 32.228 32.500 -0.027 0.000 0.715 361 K HN 0.350 nan 8.250 nan 0.000 0.439 362 L N 1.010 122.225 121.223 -0.014 0.000 2.046 362 L HA -0.093 4.247 4.340 0.001 0.000 0.208 362 L C 2.094 178.964 176.870 -0.000 0.000 1.077 362 L CA 2.088 56.925 54.840 -0.005 0.000 0.747 362 L CB -0.830 41.226 42.059 -0.006 0.000 0.896 362 L HN 0.185 nan 8.230 nan 0.000 0.432 363 A N -0.478 122.339 122.820 -0.004 0.000 2.024 363 A HA -0.121 4.199 4.320 0.001 0.000 0.220 363 A C 2.325 179.909 177.584 -0.001 0.000 1.164 363 A CA 1.545 53.581 52.037 -0.002 0.000 0.643 363 A CB -1.566 17.431 19.000 -0.006 0.000 0.806 363 A HN 0.564 nan 8.150 nan 0.000 0.451 364 G N -0.488 108.310 108.800 -0.003 0.000 2.422 364 G HA2 -0.192 3.768 3.960 0.001 0.000 0.218 364 G HA3 -0.192 3.768 3.960 0.001 0.000 0.218 364 G C 1.661 176.562 174.900 0.002 0.000 1.140 364 G CA 1.027 46.126 45.100 -0.002 0.000 0.775 364 G HN 0.605 nan 8.290 nan 0.000 0.545 365 K N -0.389 120.015 120.400 0.006 0.000 2.186 365 K HA 0.216 4.537 4.320 0.001 0.000 0.202 365 K C 2.493 179.102 176.600 0.015 0.000 1.052 365 K CA 0.432 56.727 56.287 0.012 0.000 0.965 365 K CB -0.118 32.393 32.500 0.019 0.000 0.746 365 K HN 0.256 nan 8.250 nan 0.000 0.457 366 M N 0.912 120.520 119.600 0.014 0.000 2.460 366 M HA -0.091 4.389 4.480 0.001 0.000 0.263 366 M C 1.841 178.147 176.300 0.010 0.000 1.071 366 M CA 1.436 56.746 55.300 0.015 0.000 1.096 366 M CB -0.390 32.220 32.600 0.017 0.000 1.408 366 M HN 0.204 nan 8.290 nan 0.000 0.463 367 T N -2.445 112.113 114.554 0.007 0.000 3.060 367 T HA 0.426 4.776 4.350 0.001 0.000 0.249 367 T C 0.742 175.444 174.700 0.003 0.000 1.079 367 T CA -0.050 62.053 62.100 0.004 0.000 1.013 367 T CB -0.133 68.737 68.868 0.003 0.000 0.975 367 T HN 0.229 nan 8.240 nan 0.000 0.518 368 A N 1.793 124.615 122.820 0.004 0.000 2.483 368 A HA 0.449 4.769 4.320 0.001 0.000 0.238 368 A C 0.335 177.920 177.584 0.001 0.000 1.070 368 A CA -0.324 51.715 52.037 0.003 0.000 0.770 368 A CB 0.207 19.210 19.000 0.005 0.000 1.008 368 A HN 0.377 nan 8.150 nan 0.000 0.497 369 E N 0.584 120.784 120.200 -0.000 0.000 2.242 369 E HA 0.576 4.926 4.350 0.001 0.000 0.275 369 E C 0.045 176.642 176.600 -0.004 0.000 1.002 369 E CA -0.030 56.368 56.400 -0.003 0.000 0.841 369 E CB 1.631 31.330 29.700 -0.002 0.000 1.109 369 E HN 0.781 nan 8.360 nan 0.000 0.394 370 T N -1.033 113.517 114.554 -0.007 0.000 2.896 370 T HA 0.631 4.982 4.350 0.001 0.000 0.297 370 T C -2.638 172.056 174.700 -0.010 0.000 1.108 370 T CA -2.080 60.014 62.100 -0.010 0.000 1.004 370 T CB 1.304 70.162 68.868 -0.017 0.000 1.159 370 T HN 0.009 nan 8.240 nan 0.000 0.499 371 P HA 0.305 nan 4.420 nan 0.000 0.270 371 P C -0.207 177.086 177.300 -0.012 0.000 1.223 371 P CA -0.404 62.691 63.100 -0.009 0.000 0.785 371 P CB 0.371 32.066 31.700 -0.007 0.000 0.923 372 S N 0.991 116.686 115.700 -0.009 0.000 2.537 372 S HA 0.345 4.815 4.470 0.001 0.000 0.286 372 S C 1.313 175.906 174.600 -0.012 0.000 1.299 372 S CA 0.741 58.935 58.200 -0.010 0.000 1.067 372 S CB -1.282 61.914 63.200 -0.007 0.000 0.864 372 S HN 0.885 nan 8.310 nan 0.000 0.494 373 G N 4.335 113.126 108.800 -0.016 0.000 2.148 373 G HA2 -0.166 3.794 3.960 0.001 0.000 0.254 373 G HA3 -0.166 3.794 3.960 0.001 0.000 0.254 373 G C 0.203 175.088 174.900 -0.024 0.000 0.981 373 G CA 0.474 45.563 45.100 -0.018 0.000 0.670 373 G HN 0.660 nan 8.290 nan 0.000 0.528 374 M N 0.130 119.713 119.600 -0.029 0.000 3.404 374 M HA 0.403 4.884 4.480 0.001 0.000 0.398 374 M C 0.727 176.999 176.300 -0.047 0.000 1.599 374 M CA -0.183 55.096 55.300 -0.034 0.000 0.696 374 M CB -0.051 32.537 32.600 -0.020 0.000 1.427 374 M HN 0.258 nan 8.290 nan 0.000 0.502 375 M N 1.511 121.071 119.600 -0.066 0.000 2.198 375 M HA 0.215 4.695 4.480 0.001 0.000 0.315 375 M C 0.907 177.132 176.300 -0.126 0.000 1.134 375 M CA 0.473 55.725 55.300 -0.080 0.000 1.171 375 M CB 0.578 33.127 32.600 -0.086 0.000 1.413 375 M HN 0.391 nan 8.290 nan 0.000 0.467 376 N N -0.437 118.196 118.700 -0.113 0.000 2.741 376 N HA 0.253 4.993 4.740 0.001 0.000 0.310 376 N C -0.119 175.275 175.510 -0.193 0.000 1.295 376 N CA -0.797 52.169 53.050 -0.140 0.000 0.893 376 N CB 0.692 39.172 38.487 -0.011 0.000 1.247 376 N HN 0.502 nan 8.380 nan 0.000 0.596 377 Y N 0.264 120.571 120.300 0.012 0.000 2.242 377 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 377 Y C 2.845 178.750 175.900 0.009 0.000 1.137 377 Y CA 1.205 59.312 58.100 0.012 0.000 1.181 377 Y CB -0.167 38.302 38.460 0.015 0.000 0.989 377 Y HN 0.483 nan 8.280 nan 0.000 0.527 378 S N 0.513 116.297 115.700 0.140 0.000 2.345 378 S HA -0.186 4.285 4.470 0.001 0.000 0.220 378 S C 1.884 176.511 174.600 0.045 0.000 1.031 378 S CA 1.489 59.738 58.200 0.082 0.000 0.996 378 S CB -0.539 62.698 63.200 0.061 0.000 0.882 378 S HN 0.670 nan 8.310 nan 0.000 0.445 379 N N 1.888 120.601 118.700 0.023 0.000 2.409 379 N HA -0.053 4.687 4.740 0.001 0.000 0.179 379 N C 1.511 177.020 175.510 -0.001 0.000 1.032 379 N CA 1.498 54.553 53.050 0.008 0.000 0.898 379 N CB -0.662 37.824 38.487 -0.002 0.000 0.971 379 N HN 0.490 nan 8.380 nan 0.000 0.441 380 S N 0.963 116.655 115.700 -0.013 0.000 2.362 380 S HA 0.091 4.561 4.470 0.001 0.000 0.221 380 S C 2.113 176.714 174.600 0.003 0.000 1.032 380 S CA 0.214 58.399 58.200 -0.025 0.000 0.973 380 S CB -0.803 62.356 63.200 -0.069 0.000 0.849 380 S HN 0.212 nan 8.310 nan 0.000 0.465 381 L N 1.676 122.919 121.223 0.034 0.000 2.291 381 L HA 0.104 4.444 4.340 0.001 0.000 0.214 381 L C 2.828 179.726 176.870 0.047 0.000 1.120 381 L CA 0.801 55.673 54.840 0.053 0.000 0.799 381 L CB -0.954 41.158 42.059 0.090 0.000 0.925 381 L HN 0.540 nan 8.230 nan 0.000 0.446 382 G N -0.394 108.429 108.800 0.039 0.000 2.432 382 G HA2 -0.187 3.774 3.960 0.001 0.000 0.219 382 G HA3 -0.187 3.774 3.960 0.001 0.000 0.219 382 G C 1.576 176.500 174.900 0.041 0.000 1.135 382 G CA 0.786 45.908 45.100 0.036 0.000 0.767 382 G HN 0.198 nan 8.290 nan 0.000 0.550 383 V N 0.445 120.379 119.914 0.033 0.000 2.358 383 V HA -0.148 3.972 4.120 0.001 0.000 0.246 383 V C 3.007 179.144 176.094 0.072 0.000 1.047 383 V CA 1.452 63.776 62.300 0.039 0.000 1.035 383 V CB -0.187 31.639 31.823 0.005 0.000 0.658 383 V HN 0.261 nan 8.190 nan 0.000 0.452 384 V N 0.263 120.211 119.914 0.056 0.000 2.427 384 V HA -0.245 3.876 4.120 0.001 0.000 0.248 384 V C 2.533 178.707 176.094 0.133 0.000 1.051 384 V CA 2.277 64.629 62.300 0.086 0.000 1.048 384 V CB -0.863 30.990 31.823 0.050 0.000 0.666 384 V HN 0.535 nan 8.190 nan 0.000 0.456 385 R N 0.462 121.017 120.500 0.091 0.000 2.080 385 R HA -0.217 4.124 4.340 0.001 0.000 0.236 385 R C 2.012 178.361 176.300 0.080 0.000 1.137 385 R CA 2.343 58.489 56.100 0.078 0.000 0.943 385 R CB -0.458 29.874 30.300 0.054 0.000 0.846 385 R HN 0.464 nan 8.270 nan 0.000 0.431 386 D N -0.186 120.264 120.400 0.083 0.000 2.144 386 D HA -0.175 4.466 4.640 0.001 0.000 0.199 386 D C 1.577 177.927 176.300 0.084 0.000 0.984 386 D CA 1.049 55.091 54.000 0.069 0.000 0.834 386 D CB -0.318 40.522 40.800 0.067 0.000 0.955 386 D HN 0.235 nan 8.370 nan 0.000 0.465 387 F N 0.774 120.724 119.950 0.000 0.000 2.146 387 F HA -0.137 4.390 4.527 0.001 0.000 0.298 387 F C 2.196 177.999 175.800 0.004 0.000 1.096 387 F CA 1.016 59.015 58.000 -0.002 0.000 1.275 387 F CB -0.019 38.976 39.000 -0.008 0.000 1.008 387 F HN -0.187 nan 8.300 nan 0.000 0.480 388 M N -0.164 119.507 119.600 0.118 0.000 2.175 388 M HA -0.144 4.337 4.480 0.001 0.000 0.264 388 M C 2.308 178.580 176.300 -0.047 0.000 1.063 388 M CA 1.365 56.687 55.300 0.037 0.000 1.119 388 M CB -1.296 31.364 32.600 0.101 0.000 1.377 388 M HN 0.251 nan 8.290 nan 0.000 0.415 389 L N -0.414 120.790 121.223 -0.031 0.000 2.083 389 L HA -0.158 4.182 4.340 0.001 0.000 0.209 389 L C 2.586 179.406 176.870 -0.083 0.000 1.083 389 L CA 1.163 55.981 54.840 -0.036 0.000 0.752 389 L CB -0.725 41.325 42.059 -0.015 0.000 0.899 389 L HN 0.255 nan 8.230 nan 0.000 0.433 390 A N -0.939 121.793 122.820 -0.148 0.000 2.016 390 A HA -0.016 4.304 4.320 0.001 0.000 0.217 390 A C 0.879 178.311 177.584 -0.253 0.000 1.162 390 A CA 0.783 52.706 52.037 -0.191 0.000 0.662 390 A CB -0.052 18.813 19.000 -0.225 0.000 0.812 390 A HN 0.423 nan 8.150 nan 0.000 0.450 391 N N -0.021 118.473 118.700 -0.344 0.000 2.790 391 N HA 0.181 4.921 4.740 0.001 0.000 0.256 391 N C -2.540 172.880 175.510 -0.151 0.000 1.409 391 N CA -0.913 51.956 53.050 -0.301 0.000 0.799 391 N CB 1.537 39.695 38.487 -0.549 0.000 1.170 391 N HN 0.246 nan 8.380 nan 0.000 0.507 392 P HA -0.041 nan 4.420 nan 0.000 0.231 392 P C 0.364 177.660 177.300 -0.006 0.000 1.168 392 P CA 0.801 63.885 63.100 -0.028 0.000 0.779 392 P CB 0.440 32.128 31.700 -0.020 0.000 0.844 393 D N 0.317 120.709 120.400 -0.013 0.000 2.856 393 D HA 0.172 4.812 4.640 0.001 0.000 0.242 393 D C -0.036 176.278 176.300 0.023 0.000 1.226 393 D CA 0.009 54.010 54.000 0.002 0.000 0.855 393 D CB -1.078 39.720 40.800 -0.004 0.000 1.065 393 D HN 0.164 nan 8.370 nan 0.000 0.462 394 I N -0.158 120.436 120.570 0.040 0.000 2.647 394 I HA 0.219 4.389 4.170 0.001 0.000 0.295 394 I C 0.125 176.282 176.117 0.067 0.000 1.078 394 I CA -0.976 60.365 61.300 0.068 0.000 1.048 394 I CB 2.207 40.277 38.000 0.117 0.000 1.239 394 I HN -0.234 nan 8.210 nan 0.000 0.421 395 S N 5.030 120.769 115.700 0.065 0.000 2.548 395 S HA 0.401 4.872 4.470 0.001 0.000 0.277 395 S C -0.479 174.168 174.600 0.079 0.000 1.315 395 S CA -0.358 57.880 58.200 0.063 0.000 1.050 395 S CB 0.884 64.116 63.200 0.052 0.000 0.918 395 S HN 0.356 nan 8.310 nan 0.000 0.497 396 L N 5.397 126.669 121.223 0.082 0.000 2.318 396 L HA 0.520 4.860 4.340 0.001 0.000 0.277 396 L C -0.888 176.040 176.870 0.097 0.000 1.008 396 L CA -0.333 54.559 54.840 0.087 0.000 0.846 396 L CB 0.927 43.037 42.059 0.084 0.000 1.220 396 L HN 0.409 nan 8.230 nan 0.000 0.423 397 V N 4.790 124.766 119.914 0.104 0.000 2.567 397 V HA 0.541 4.662 4.120 0.001 0.000 0.289 397 V C -0.195 175.956 176.094 0.094 0.000 1.049 397 V CA -0.455 61.924 62.300 0.132 0.000 0.969 397 V CB 1.556 33.468 31.823 0.147 0.000 0.995 397 V HN 0.871 nan 8.190 nan 0.000 0.471 398 N N 2.971 121.724 118.700 0.087 0.000 2.406 398 N HA 0.498 5.238 4.740 0.001 0.000 0.283 398 N C -1.382 174.143 175.510 0.025 0.000 1.074 398 N CA -0.611 52.472 53.050 0.055 0.000 0.916 398 N CB 2.029 40.552 38.487 0.061 0.000 1.639 398 N HN 0.927 nan 8.380 nan 0.000 0.485 399 E N 1.809 122.015 120.200 0.009 0.000 2.407 399 E HA 0.724 5.074 4.350 0.001 0.000 0.279 399 E C -0.344 176.258 176.600 0.002 0.000 1.012 399 E CA -0.972 55.414 56.400 -0.022 0.000 0.800 399 E CB 1.463 31.106 29.700 -0.095 0.000 1.276 399 E HN 0.760 nan 8.360 nan 0.000 0.452 400 G N 0.049 108.847 108.800 -0.004 0.000 2.278 400 G HA2 0.370 4.330 3.960 0.001 0.000 0.265 400 G HA3 0.370 4.330 3.960 0.001 0.000 0.265 400 G C -0.223 174.704 174.900 0.045 0.000 1.329 400 G CA 0.108 45.226 45.100 0.029 0.000 1.017 400 G HN 1.011 nan 8.290 nan 0.000 0.472 401 A N -1.262 121.604 122.820 0.077 0.000 2.083 401 A HA 0.472 4.792 4.320 0.001 0.000 0.210 401 A C 1.791 179.358 177.584 -0.029 0.000 2.137 401 A CA 1.313 53.403 52.037 0.088 0.000 1.008 401 A CB -0.431 18.733 19.000 0.273 0.000 1.306 401 A HN 0.543 nan 8.150 nan 0.000 0.632 402 N N 0.809 119.449 118.700 -0.101 0.000 2.188 402 N HA -0.088 4.653 4.740 0.001 0.000 0.184 402 N C 1.808 177.042 175.510 -0.460 0.000 1.018 402 N CA 1.370 54.159 53.050 -0.434 0.000 0.858 402 N CB -0.260 37.762 38.487 -0.775 0.000 0.989 402 N HN 0.477 nan 8.380 nan 0.000 0.426 403 A N 0.849 123.590 122.820 -0.131 0.000 2.015 403 A HA -0.061 4.260 4.320 0.001 0.000 0.219 403 A C 2.164 179.761 177.584 0.023 0.000 1.163 403 A CA 0.735 52.812 52.037 0.066 0.000 0.646 403 A CB -0.304 18.790 19.000 0.157 0.000 0.806 403 A HN 0.202 nan 8.150 nan 0.000 0.448 404 L N -0.218 121.001 121.223 -0.007 0.000 2.071 404 L HA 0.006 4.346 4.340 0.001 0.000 0.201 404 L C 1.617 178.480 176.870 -0.012 0.000 1.076 404 L CA 2.274 57.118 54.840 0.005 0.000 0.755 404 L CB -0.643 41.425 42.059 0.015 0.000 0.915 404 L HN 0.262 nan 8.230 nan 0.000 0.445 405 D N -0.062 120.313 120.400 -0.041 0.000 2.123 405 D HA -0.188 4.453 4.640 0.001 0.000 0.196 405 D C 1.870 178.141 176.300 -0.048 0.000 0.992 405 D CA 1.308 55.280 54.000 -0.047 0.000 0.833 405 D CB -0.321 40.437 40.800 -0.070 0.000 0.954 405 D HN 0.417 nan 8.370 nan 0.000 0.455 406 N N -0.028 118.627 118.700 -0.076 0.000 2.216 406 N HA -0.066 4.674 4.740 0.001 0.000 0.183 406 N C 1.765 177.287 175.510 0.020 0.000 1.017 406 N CA 0.941 53.972 53.050 -0.031 0.000 0.861 406 N CB -0.317 38.150 38.487 -0.033 0.000 0.986 406 N HN 0.159 nan 8.380 nan 0.000 0.428 407 T N 0.997 115.570 114.554 0.032 0.000 2.821 407 T HA -0.093 4.257 4.350 0.001 0.000 0.267 407 T C 1.932 176.654 174.700 0.037 0.000 1.046 407 T CA 0.779 62.908 62.100 0.048 0.000 1.139 407 T CB 0.078 68.979 68.868 0.056 0.000 0.871 407 T HN 0.275 nan 8.240 nan 0.000 0.454 408 R N 0.219 120.733 120.500 0.023 0.000 2.148 408 R HA 0.099 4.440 4.340 0.001 0.000 0.227 408 R C 2.288 178.596 176.300 0.015 0.000 1.103 408 R CA 1.048 57.160 56.100 0.020 0.000 0.983 408 R CB -0.147 30.159 30.300 0.010 0.000 0.874 408 R HN 0.374 nan 8.270 nan 0.000 0.451 409 M N -0.508 119.097 119.600 0.008 0.000 2.248 409 M HA 0.005 4.485 4.480 0.001 0.000 0.265 409 M C 1.940 178.247 176.300 0.012 0.000 1.079 409 M CA 1.259 56.560 55.300 0.003 0.000 1.150 409 M CB 0.195 32.791 32.600 -0.007 0.000 1.366 409 M HN 0.142 nan 8.290 nan 0.000 0.433 410 I N -0.751 119.834 120.570 0.024 0.000 2.339 410 I HA -0.053 4.117 4.170 0.001 0.000 0.245 410 I C 0.559 176.699 176.117 0.037 0.000 1.096 410 I CA 0.252 61.571 61.300 0.031 0.000 1.408 410 I CB 0.183 38.209 38.000 0.044 0.000 1.092 410 I HN -0.119 nan 8.210 nan 0.000 0.423 411 V N 3.309 123.250 119.914 0.045 0.000 2.387 411 V HA 0.034 4.154 4.120 0.001 0.000 0.260 411 V C -0.616 175.508 176.094 0.050 0.000 1.054 411 V CA -0.149 62.183 62.300 0.053 0.000 0.967 411 V CB -0.100 31.761 31.823 0.063 0.000 1.036 411 V HN 0.153 nan 8.190 nan 0.000 0.481 412 D N 5.628 126.056 120.400 0.047 0.000 2.351 412 D HA 0.297 4.937 4.640 0.001 0.000 0.251 412 D C 0.057 176.388 176.300 0.052 0.000 1.137 412 D CA 0.006 54.034 54.000 0.048 0.000 0.879 412 D CB 0.926 41.751 40.800 0.041 0.000 1.181 412 D HN 0.222 nan 8.370 nan 0.000 0.448 413 M N 2.634 122.270 119.600 0.059 0.000 2.180 413 M HA 0.236 4.716 4.480 0.001 0.000 0.350 413 M C 0.781 177.114 176.300 0.056 0.000 1.125 413 M CA -0.337 54.997 55.300 0.057 0.000 1.031 413 M CB 1.453 34.090 32.600 0.063 0.000 1.623 413 M HN 0.325 nan 8.290 nan 0.000 0.451 414 L N 1.055 122.303 121.223 0.042 0.000 2.590 414 L HA 0.213 4.554 4.340 0.001 0.000 0.227 414 L C 0.467 177.353 176.870 0.027 0.000 1.099 414 L CA 0.464 55.327 54.840 0.039 0.000 0.872 414 L CB 0.160 42.234 42.059 0.025 0.000 1.088 414 L HN 0.608 nan 8.230 nan 0.000 0.479 415 K N 0.854 121.267 120.400 0.022 0.000 2.318 415 K HA 0.440 4.760 4.320 0.001 0.000 0.249 415 K C -2.569 174.037 176.600 0.011 0.000 0.942 415 K CA -1.879 54.413 56.287 0.008 0.000 0.808 415 K CB 2.243 34.744 32.500 0.002 0.000 1.189 415 K HN -0.284 nan 8.250 nan 0.000 0.428 416 P HA 0.137 nan 4.420 nan 0.000 0.276 416 P C -0.845 176.450 177.300 -0.007 0.000 1.244 416 P CA -0.128 62.969 63.100 -0.005 0.000 0.801 416 P CB 0.637 32.316 31.700 -0.035 0.000 1.006 417 R N -0.347 120.170 120.500 0.028 0.000 3.641 417 R HA -0.150 4.191 4.340 0.001 0.000 0.286 417 R C 0.856 177.194 176.300 0.063 0.000 1.153 417 R CA 0.569 56.691 56.100 0.038 0.000 0.775 417 R CB -1.250 28.946 30.300 -0.173 0.000 1.215 417 R HN 0.504 nan 8.270 nan 0.000 0.474 418 K N 0.350 120.794 120.400 0.073 0.000 2.287 418 K HA 0.081 4.402 4.320 0.001 0.000 0.199 418 K C 0.906 177.555 176.600 0.082 0.000 1.061 418 K CA 0.206 56.531 56.287 0.063 0.000 0.976 418 K CB 0.228 32.757 32.500 0.048 0.000 0.898 418 K HN 0.204 nan 8.250 nan 0.000 0.492 419 R N 1.914 122.471 120.500 0.095 0.000 2.248 419 R HA 0.218 4.558 4.340 0.001 0.000 0.328 419 R C -0.823 175.533 176.300 0.094 0.000 1.067 419 R CA -0.006 56.149 56.100 0.092 0.000 0.924 419 R CB 0.013 30.363 30.300 0.084 0.000 1.013 419 R HN -0.050 nan 8.270 nan 0.000 0.454 420 L N 5.682 126.964 121.223 0.099 0.000 2.345 420 L HA 0.375 4.715 4.340 0.001 0.000 0.274 420 L C -0.666 176.344 176.870 0.234 0.000 0.999 420 L CA -0.913 53.990 54.840 0.105 0.000 0.849 420 L CB 1.270 43.347 42.059 0.030 0.000 1.220 420 L HN 0.743 nan 8.230 nan 0.000 0.422 421 D N 0.010 120.535 120.400 0.207 0.000 2.666 421 D HA 0.279 4.919 4.640 0.001 0.000 0.252 421 D C 0.843 177.238 176.300 0.158 0.000 1.143 421 D CA -0.715 53.381 54.000 0.160 0.000 1.096 421 D CB 0.625 41.477 40.800 0.088 0.000 1.260 421 D HN 0.086 nan 8.370 nan 0.000 0.633 422 S N -1.126 114.606 115.700 0.054 0.000 2.440 422 S HA 0.210 4.680 4.470 0.001 0.000 0.240 422 S C 1.303 175.976 174.600 0.121 0.000 1.014 422 S CA 1.007 59.219 58.200 0.019 0.000 0.980 422 S CB -1.189 62.018 63.200 0.011 0.000 0.775 422 S HN 0.972 nan 8.310 nan 0.000 0.499 423 G N 0.695 109.573 108.800 0.130 0.000 2.697 423 G HA2 -0.310 3.650 3.960 0.001 0.000 0.240 423 G HA3 -0.310 3.650 3.960 0.001 0.000 0.240 423 G C 0.646 175.626 174.900 0.134 0.000 1.346 423 G CA 0.050 45.204 45.100 0.090 0.000 0.887 423 G HN 0.228 nan 8.290 nan 0.000 0.569 424 T N -0.461 114.120 114.554 0.044 0.000 2.737 424 T HA -0.147 4.203 4.350 0.001 0.000 0.269 424 T C 1.637 176.615 174.700 0.463 0.000 1.040 424 T CA 2.466 64.680 62.100 0.190 0.000 1.142 424 T CB -0.134 68.705 68.868 -0.049 0.000 0.861 424 T HN 0.447 nan 8.240 nan 0.000 0.456 425 W N 1.010 122.391 121.300 0.136 0.000 3.256 425 W HA 0.449 5.109 4.660 0.001 0.000 0.269 425 W C 1.556 178.079 176.519 0.006 0.000 1.310 425 W CA -0.462 56.910 57.345 0.045 0.000 1.673 425 W CB -0.975 28.500 29.460 0.024 0.000 1.115 425 W HN 0.414 nan 8.180 nan 0.000 0.686 426 G N 1.639 110.621 108.800 0.304 0.000 2.338 426 G HA2 -0.258 3.703 3.960 0.001 0.000 0.296 426 G HA3 -0.258 3.703 3.960 0.001 0.000 0.296 426 G C -0.074 174.837 174.900 0.018 0.000 1.040 426 G CA 0.149 45.347 45.100 0.163 0.000 1.004 426 G HN -0.017 nan 8.290 nan 0.000 0.509 427 V N 2.144 122.060 119.914 0.004 0.000 2.508 427 V HA 0.366 4.487 4.120 0.001 0.000 0.281 427 V C 0.887 176.779 176.094 -0.336 0.000 1.041 427 V CA -0.139 62.063 62.300 -0.163 0.000 1.016 427 V CB 1.270 32.975 31.823 -0.197 0.000 0.984 427 V HN 0.433 nan 8.190 nan 0.000 0.478 428 M N 4.081 123.387 119.600 -0.490 0.000 2.157 428 M HA 0.526 5.007 4.480 0.001 0.000 0.354 428 M C 0.977 176.848 176.300 -0.716 0.000 1.170 428 M CA 0.113 55.002 55.300 -0.685 0.000 1.060 428 M CB 0.366 32.284 32.600 -1.137 0.000 1.615 428 M HN 0.948 nan 8.290 nan 0.000 0.460 429 G N 2.929 111.466 108.800 -0.437 0.000 2.318 429 G HA2 -0.174 3.786 3.960 0.001 0.000 0.172 429 G HA3 -0.174 3.786 3.960 0.001 0.000 0.172 429 G C 0.332 175.057 174.900 -0.293 0.000 1.002 429 G CA 0.156 45.163 45.100 -0.154 0.000 0.697 429 G HN 0.684 nan 8.290 nan 0.000 0.483 430 I N 0.297 120.425 120.570 -0.736 0.000 3.251 430 I HA 0.457 4.628 4.170 0.001 0.000 0.277 430 I C 2.204 177.887 176.117 -0.722 0.000 1.268 430 I CA 1.205 61.827 61.300 -1.131 0.000 1.449 430 I CB -0.758 36.153 38.000 -1.815 0.000 1.083 430 I HN 0.092 nan 8.210 nan 0.000 0.464 431 G N 1.443 110.010 108.800 -0.388 0.000 2.480 431 G HA2 -0.192 3.768 3.960 0.001 0.000 0.216 431 G HA3 -0.192 3.768 3.960 0.001 0.000 0.216 431 G C 1.473 176.352 174.900 -0.035 0.000 1.200 431 G CA 1.272 46.272 45.100 -0.167 0.000 0.782 431 G HN 0.288 nan 8.290 nan 0.000 0.554 432 M N 0.964 120.526 119.600 -0.063 0.000 2.236 432 M HA 0.107 4.588 4.480 0.001 0.000 0.266 432 M C 2.842 179.222 176.300 0.134 0.000 1.070 432 M CA 1.055 56.364 55.300 0.016 0.000 1.137 432 M CB -1.542 31.005 32.600 -0.089 0.000 1.378 432 M HN 0.278 nan 8.290 nan 0.000 0.426 433 G N -0.947 107.952 108.800 0.164 0.000 2.418 433 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 433 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 433 G C 1.347 176.424 174.900 0.295 0.000 1.158 433 G CA 0.471 45.752 45.100 0.302 0.000 0.771 433 G HN 0.287 nan 8.290 nan 0.000 0.545 434 Y N 0.615 120.938 120.300 0.039 0.000 2.224 434 Y HA -0.094 4.456 4.550 0.001 0.000 0.289 434 Y C 3.090 179.001 175.900 0.018 0.000 1.146 434 Y CA -0.124 57.980 58.100 0.006 0.000 1.182 434 Y CB -0.945 37.511 38.460 -0.006 0.000 0.983 434 Y HN 0.225 nan 8.280 nan 0.000 0.524 435 C N -1.382 118.041 119.300 0.205 0.000 2.446 435 C HA -0.104 4.356 4.460 0.001 0.000 0.277 435 C C 2.853 177.896 174.990 0.089 0.000 1.275 435 C CA 0.845 59.940 59.018 0.129 0.000 1.727 435 C CB -1.160 26.652 27.740 0.119 0.000 2.010 435 C HN 0.307 nan 8.230 nan 0.000 0.486 436 V N 1.359 121.336 119.914 0.105 0.000 2.358 436 V HA -0.182 3.938 4.120 0.001 0.000 0.246 436 V C 2.696 178.766 176.094 -0.041 0.000 1.047 436 V CA 2.219 64.534 62.300 0.026 0.000 1.035 436 V CB -1.256 30.615 31.823 0.080 0.000 0.658 436 V HN 0.589 nan 8.190 nan 0.000 0.452 437 A N 0.016 122.830 122.820 -0.010 0.000 1.898 437 A HA -0.072 4.249 4.320 0.001 0.000 0.216 437 A C 2.422 179.993 177.584 -0.022 0.000 1.181 437 A CA 1.989 53.987 52.037 -0.064 0.000 0.620 437 A CB -0.782 18.080 19.000 -0.229 0.000 0.819 437 A HN 0.553 nan 8.150 nan 0.000 0.442 438 A N -0.151 122.659 122.820 -0.016 0.000 1.902 438 A HA 0.167 4.488 4.320 0.001 0.000 0.217 438 A C 2.489 180.083 177.584 0.016 0.000 1.181 438 A CA 2.086 54.121 52.037 -0.003 0.000 0.623 438 A CB -0.955 18.053 19.000 0.014 0.000 0.818 438 A HN 1.017 nan 8.150 nan 0.000 0.443 439 A N -0.237 122.595 122.820 0.021 0.000 1.898 439 A HA 0.220 4.540 4.320 0.001 0.000 0.216 439 A C 2.490 180.092 177.584 0.031 0.000 1.181 439 A CA 1.926 53.983 52.037 0.034 0.000 0.620 439 A CB -0.954 18.073 19.000 0.044 0.000 0.819 439 A HN 1.019 nan 8.150 nan 0.000 0.442 440 A N -0.201 122.611 122.820 -0.014 0.000 1.930 440 A HA 0.036 4.356 4.320 0.001 0.000 0.217 440 A C 2.212 179.840 177.584 0.074 0.000 1.175 440 A CA 2.101 54.145 52.037 0.011 0.000 0.627 440 A CB -0.912 17.963 19.000 -0.208 0.000 0.815 440 A HN 1.163 nan 8.150 nan 0.000 0.443 441 V N -2.888 117.062 119.914 0.059 0.000 3.174 441 V HA 0.015 4.135 4.120 0.001 0.000 0.254 441 V C 1.998 178.110 176.094 0.031 0.000 1.120 441 V CA 1.896 64.230 62.300 0.057 0.000 1.114 441 V CB -0.807 31.048 31.823 0.053 0.000 0.756 441 V HN 0.614 nan 8.190 nan 0.000 0.467 442 T N -3.376 111.193 114.554 0.026 0.000 3.040 442 T HA 0.344 4.695 4.350 0.001 0.000 0.252 442 T C 1.857 176.575 174.700 0.029 0.000 1.064 442 T CA 1.031 63.142 62.100 0.018 0.000 1.110 442 T CB 0.134 69.010 68.868 0.013 0.000 0.921 442 T HN 1.549 nan 8.240 nan 0.000 0.480 443 G N 1.721 110.546 108.800 0.042 0.000 2.166 443 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 443 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 443 G C -0.045 174.882 174.900 0.046 0.000 0.986 443 G CA 0.747 45.876 45.100 0.049 0.000 0.683 443 G HN 0.723 nan 8.290 nan 0.000 0.527 444 K N -0.146 120.280 120.400 0.044 0.000 2.306 444 K HA 0.589 4.909 4.320 0.001 0.000 0.236 444 K C -2.605 174.029 176.600 0.057 0.000 1.013 444 K CA -2.337 53.978 56.287 0.046 0.000 0.857 444 K CB 1.566 34.088 32.500 0.037 0.000 1.214 444 K HN -0.068 nan 8.250 nan 0.000 0.449 445 P HA 0.084 nan 4.420 nan 0.000 0.271 445 P C -1.108 176.238 177.300 0.077 0.000 1.233 445 P CA -0.380 62.767 63.100 0.077 0.000 0.789 445 P CB 0.556 32.314 31.700 0.096 0.000 0.951 446 V N 2.119 122.078 119.914 0.076 0.000 2.789 446 V HA 0.471 4.592 4.120 0.001 0.000 0.311 446 V C -0.162 175.973 176.094 0.069 0.000 1.073 446 V CA -0.478 61.867 62.300 0.075 0.000 0.921 446 V CB 2.046 33.913 31.823 0.073 0.000 1.009 446 V HN 0.355 nan 8.190 nan 0.000 0.426 447 I N 2.930 123.542 120.570 0.070 0.000 2.466 447 I HA 0.746 4.916 4.170 0.001 0.000 0.289 447 I C -0.112 176.038 176.117 0.054 0.000 1.026 447 I CA -0.638 60.690 61.300 0.046 0.000 1.078 447 I CB 2.027 40.056 38.000 0.047 0.000 1.249 447 I HN 0.713 nan 8.210 nan 0.000 0.429 448 A N 6.501 129.347 122.820 0.043 0.000 2.304 448 A HA 0.734 5.055 4.320 0.001 0.000 0.314 448 A C -0.775 176.828 177.584 0.031 0.000 1.187 448 A CA -0.491 51.579 52.037 0.054 0.000 0.810 448 A CB 1.263 20.307 19.000 0.073 0.000 1.183 448 A HN 0.426 nan 8.150 nan 0.000 0.487 449 V N 4.012 123.949 119.914 0.039 0.000 2.333 449 V HA 0.336 4.456 4.120 0.001 0.000 0.274 449 V C -0.405 175.713 176.094 0.039 0.000 1.028 449 V CA -0.337 61.982 62.300 0.031 0.000 0.851 449 V CB 0.919 32.769 31.823 0.045 0.000 1.000 449 V HN 0.858 nan 8.190 nan 0.000 0.456 450 E N 3.429 123.644 120.200 0.024 0.000 2.176 450 E HA 0.428 4.779 4.350 0.001 0.000 0.267 450 E C 0.406 177.029 176.600 0.038 0.000 0.893 450 E CA -0.381 56.044 56.400 0.041 0.000 0.761 450 E CB 2.339 32.080 29.700 0.067 0.000 1.133 450 E HN 0.728 nan 8.360 nan 0.000 0.409 451 G N 2.099 110.942 108.800 0.071 0.000 2.559 451 G HA2 -0.058 3.902 3.960 0.001 0.000 0.235 451 G HA3 -0.058 3.902 3.960 0.001 0.000 0.235 451 G C 0.757 175.699 174.900 0.071 0.000 1.266 451 G CA -0.214 44.940 45.100 0.090 0.000 0.847 451 G HN 0.512 nan 8.290 nan 0.000 0.583 452 D N 0.343 120.775 120.400 0.052 0.000 2.224 452 D HA -0.150 4.491 4.640 0.001 0.000 0.205 452 D C 2.111 178.491 176.300 0.134 0.000 0.965 452 D CA 1.231 55.240 54.000 0.015 0.000 0.852 452 D CB -0.350 40.472 40.800 0.038 0.000 0.947 452 D HN 0.337 nan 8.370 nan 0.000 0.494 453 S N 0.389 116.174 115.700 0.142 0.000 2.345 453 S HA -0.017 4.453 4.470 0.001 0.000 0.219 453 S C 2.208 176.994 174.600 0.309 0.000 1.031 453 S CA 1.527 59.834 58.200 0.179 0.000 0.984 453 S CB -0.573 62.705 63.200 0.129 0.000 0.874 453 S HN 0.369 nan 8.310 nan 0.000 0.451 454 A N 1.013 123.975 122.820 0.237 0.000 1.892 454 A HA -0.108 4.213 4.320 0.001 0.000 0.218 454 A C 2.042 179.780 177.584 0.257 0.000 1.188 454 A CA 1.992 54.148 52.037 0.197 0.000 0.631 454 A CB -1.352 17.673 19.000 0.041 0.000 0.822 454 A HN 0.726 nan 8.150 nan 0.000 0.447 455 F N 1.313 121.288 119.950 0.042 0.000 2.154 455 F HA -0.107 4.421 4.527 0.001 0.000 0.301 455 F C 2.237 178.050 175.800 0.022 0.000 1.087 455 F CA 1.587 59.570 58.000 -0.029 0.000 1.274 455 F CB -0.702 38.188 39.000 -0.183 0.000 1.009 455 F HN 0.192 nan 8.300 nan 0.000 0.485 456 G N -0.699 108.114 108.800 0.021 0.000 2.479 456 G HA2 -0.284 3.676 3.960 0.001 0.000 0.220 456 G HA3 -0.284 3.676 3.960 0.001 0.000 0.220 456 G C 1.471 176.235 174.900 -0.227 0.000 1.115 456 G CA 0.784 45.809 45.100 -0.126 0.000 0.757 456 G HN 0.423 nan 8.290 nan 0.000 0.560 457 F N 1.385 121.234 119.950 -0.167 0.000 2.365 457 F HA 0.052 4.579 4.527 0.000 0.000 0.300 457 F C 2.482 178.206 175.800 -0.126 0.000 1.090 457 F CA 1.340 59.275 58.000 -0.108 0.000 1.408 457 F CB 0.312 39.274 39.000 -0.064 0.000 1.060 457 F HN 0.259 nan 8.300 nan 0.000 0.534 458 S N -2.003 113.569 115.700 -0.213 0.000 2.960 458 S HA 0.276 4.746 4.470 0.001 0.000 0.256 458 S C 1.807 176.039 174.600 -0.614 0.000 1.017 458 S CA 0.118 57.962 58.200 -0.594 0.000 1.144 458 S CB -0.385 62.378 63.200 -0.729 0.000 1.109 458 S HN 0.212 nan 8.310 nan 0.000 0.638 459 G N 2.753 111.088 108.800 -0.776 0.000 2.503 459 G HA2 -0.208 3.752 3.960 0.001 0.000 0.221 459 G HA3 -0.208 3.752 3.960 0.001 0.000 0.221 459 G C 1.373 176.080 174.900 -0.321 0.000 1.131 459 G CA 1.215 45.730 45.100 -0.975 0.000 0.756 459 G HN 0.432 nan 8.290 nan 0.000 0.572 460 M N 0.639 120.120 119.600 -0.199 0.000 2.346 460 M HA -0.009 4.472 4.480 0.001 0.000 0.263 460 M C 1.992 178.196 176.300 -0.160 0.000 1.064 460 M CA 0.744 55.974 55.300 -0.118 0.000 1.083 460 M CB -0.624 31.952 32.600 -0.039 0.000 1.399 460 M HN 0.180 nan 8.290 nan 0.000 0.435 461 E N 0.113 120.228 120.200 -0.141 0.000 2.515 461 E HA -0.045 4.305 4.350 0.001 0.000 0.201 461 E C 2.041 178.596 176.600 -0.076 0.000 1.071 461 E CA 0.360 56.716 56.400 -0.074 0.000 0.880 461 E CB -0.455 29.231 29.700 -0.022 0.000 0.828 461 E HN 0.537 nan 8.360 nan 0.000 0.540 462 L N 0.768 121.949 121.223 -0.070 0.000 2.083 462 L HA -0.170 4.170 4.340 0.001 0.000 0.209 462 L C 2.565 179.378 176.870 -0.095 0.000 1.083 462 L CA 1.120 55.972 54.840 0.020 0.000 0.752 462 L CB -0.307 41.855 42.059 0.172 0.000 0.899 462 L HN 0.109 nan 8.230 nan 0.000 0.433 463 E N 0.067 120.034 120.200 -0.388 0.000 2.110 463 E HA -0.192 4.159 4.350 0.001 0.000 0.193 463 E C 1.925 178.410 176.600 -0.193 0.000 0.988 463 E CA 1.854 57.956 56.400 -0.495 0.000 0.804 463 E CB 0.062 29.235 29.700 -0.878 0.000 0.745 463 E HN 0.420 nan 8.360 nan 0.000 0.458 464 T N 1.433 115.902 114.554 -0.141 0.000 2.777 464 T HA -0.062 4.288 4.350 0.001 0.000 0.266 464 T C 2.100 176.824 174.700 0.040 0.000 1.040 464 T CA 1.239 63.297 62.100 -0.069 0.000 1.141 464 T CB -0.179 68.596 68.868 -0.156 0.000 0.868 464 T HN 0.172 nan 8.240 nan 0.000 0.444 465 I N 0.794 121.385 120.570 0.035 0.000 2.208 465 I HA -0.215 3.955 4.170 0.001 0.000 0.245 465 I C 2.591 178.769 176.117 0.101 0.000 1.097 465 I CA 0.903 62.259 61.300 0.094 0.000 1.363 465 I CB -0.423 37.630 38.000 0.089 0.000 1.051 465 I HN 0.343 nan 8.210 nan 0.000 0.413 466 C N 0.006 119.345 119.300 0.066 0.000 2.446 466 C HA -0.119 4.342 4.460 0.001 0.000 0.277 466 C C 2.937 177.936 174.990 0.015 0.000 1.275 466 C CA 0.646 59.706 59.018 0.071 0.000 1.727 466 C CB -1.091 26.719 27.740 0.117 0.000 2.010 466 C HN 0.463 nan 8.230 nan 0.000 0.486 467 R N -0.343 120.110 120.500 -0.079 0.000 2.127 467 R HA -0.136 4.205 4.340 0.001 0.000 0.238 467 R C 1.129 177.213 176.300 -0.360 0.000 1.134 467 R CA 1.744 57.691 56.100 -0.254 0.000 0.975 467 R CB -0.278 29.774 30.300 -0.413 0.000 0.865 467 R HN 0.670 nan 8.270 nan 0.000 0.447 468 Y N 0.200 120.535 120.300 0.058 0.000 2.524 468 Y HA 0.212 4.762 4.550 0.001 0.000 0.266 468 Y C 0.222 176.178 175.900 0.092 0.000 1.180 468 Y CA -0.513 57.642 58.100 0.093 0.000 1.244 468 Y CB 0.311 38.880 38.460 0.181 0.000 1.125 468 Y HN 0.098 nan 8.280 nan 0.000 0.524 469 N N 1.819 120.607 118.700 0.147 0.000 2.699 469 N HA -0.215 4.525 4.740 0.001 0.000 0.256 469 N C -0.870 174.724 175.510 0.141 0.000 0.993 469 N CA 0.500 53.623 53.050 0.122 0.000 0.759 469 N CB -0.911 37.633 38.487 0.095 0.000 0.906 469 N HN 0.406 nan 8.380 nan 0.000 0.541 470 L N 1.037 122.353 121.223 0.155 0.000 2.395 470 L HA 0.313 4.653 4.340 0.001 0.000 0.269 470 L C -1.293 175.641 176.870 0.107 0.000 1.133 470 L CA -1.505 53.417 54.840 0.136 0.000 0.812 470 L CB 0.644 42.784 42.059 0.135 0.000 1.125 470 L HN 0.032 nan 8.230 nan 0.000 0.452 471 P HA 0.088 nan 4.420 nan 0.000 0.226 471 P C -0.704 176.643 177.300 0.078 0.000 1.783 471 P CA 0.064 63.214 63.100 0.084 0.000 0.980 471 P CB 0.030 31.777 31.700 0.079 0.000 1.967 472 V N 1.414 121.377 119.914 0.081 0.000 2.459 472 V HA 0.337 4.457 4.120 0.001 0.000 0.295 472 V C 0.547 176.680 176.094 0.065 0.000 1.029 472 V CA -0.097 62.248 62.300 0.075 0.000 0.874 472 V CB 1.943 33.817 31.823 0.086 0.000 0.985 472 V HN 0.151 nan 8.190 nan 0.000 0.438 473 T N 4.395 118.973 114.554 0.040 0.000 2.809 473 T HA 0.455 4.805 4.350 0.001 0.000 0.296 473 T C -0.315 174.387 174.700 0.003 0.000 1.015 473 T CA -0.292 61.813 62.100 0.008 0.000 0.954 473 T CB 1.271 70.105 68.868 -0.057 0.000 0.950 473 T HN 0.342 nan 8.240 nan 0.000 0.450 474 V N 5.738 125.660 119.914 0.014 0.000 2.364 474 V HA 0.424 4.545 4.120 0.001 0.000 0.272 474 V C 0.107 176.165 176.094 -0.060 0.000 1.036 474 V CA -0.706 61.592 62.300 -0.002 0.000 0.880 474 V CB 0.861 32.700 31.823 0.027 0.000 0.991 474 V HN 0.795 nan 8.190 nan 0.000 0.460 475 I N 6.396 126.925 120.570 -0.068 0.000 2.312 475 I HA 0.427 4.597 4.170 0.001 0.000 0.290 475 I C -0.281 175.767 176.117 -0.116 0.000 1.008 475 I CA -0.198 61.048 61.300 -0.090 0.000 1.226 475 I CB 1.220 39.176 38.000 -0.073 0.000 1.371 475 I HN 0.429 nan 8.210 nan 0.000 0.468 476 I N 6.831 127.296 120.570 -0.175 0.000 2.321 476 I HA 0.224 4.394 4.170 0.001 0.000 0.291 476 I C 0.213 176.255 176.117 -0.126 0.000 0.998 476 I CA -0.545 60.612 61.300 -0.238 0.000 1.227 476 I CB 1.171 38.870 38.000 -0.501 0.000 1.368 476 I HN 0.432 nan 8.210 nan 0.000 0.466 477 M N 5.549 125.110 119.600 -0.066 0.000 3.237 477 M HA 0.088 4.569 4.480 0.001 0.000 0.266 477 M C 0.213 176.506 176.300 -0.012 0.000 1.456 477 M CA -0.060 55.227 55.300 -0.023 0.000 1.593 477 M CB -1.344 31.304 32.600 0.080 0.000 1.129 477 M HN 0.388 nan 8.290 nan 0.000 0.547 478 N N 3.538 122.226 118.700 -0.020 0.000 2.605 478 N HA -0.024 4.717 4.740 0.001 0.000 0.282 478 N C 0.502 176.031 175.510 0.032 0.000 1.206 478 N CA 0.147 53.220 53.050 0.039 0.000 1.074 478 N CB 0.131 38.671 38.487 0.089 0.000 1.434 478 N HN 0.407 nan 8.380 nan 0.000 0.506 479 N N 1.770 120.499 118.700 0.048 0.000 2.280 479 N HA 0.073 4.813 4.740 0.001 0.000 0.192 479 N C 0.890 176.439 175.510 0.066 0.000 1.109 479 N CA 0.413 53.489 53.050 0.043 0.000 0.855 479 N CB -0.086 38.444 38.487 0.072 0.000 0.974 479 N HN 0.358 nan 8.380 nan 0.000 0.482 480 G N -1.371 107.478 108.800 0.083 0.000 2.147 480 G HA2 0.058 4.018 3.960 0.001 0.000 0.244 480 G HA3 0.058 4.018 3.960 0.001 0.000 0.244 480 G C 0.283 175.228 174.900 0.074 0.000 1.005 480 G CA 0.326 45.473 45.100 0.079 0.000 0.713 480 G HN 1.010 nan 8.290 nan 0.000 0.515 481 G N -1.481 107.368 108.800 0.081 0.000 2.317 481 G HA2 0.493 4.453 3.960 0.001 0.000 0.293 481 G HA3 0.493 4.453 3.960 0.001 0.000 0.293 481 G C -0.877 174.044 174.900 0.035 0.000 1.287 481 G CA -0.476 44.656 45.100 0.054 0.000 0.850 481 G HN 0.794 nan 8.290 nan 0.000 0.515 482 I N 1.788 122.330 120.570 -0.047 0.000 2.337 482 I HA 0.318 4.488 4.170 0.001 0.000 0.291 482 I C 1.073 177.084 176.117 -0.177 0.000 1.046 482 I CA 0.142 61.314 61.300 -0.213 0.000 1.324 482 I CB -0.296 37.464 38.000 -0.400 0.000 1.409 482 I HN 0.852 nan 8.210 nan 0.000 0.494 483 Y N 2.773 123.114 120.300 0.069 0.000 2.736 483 Y HA -0.389 4.162 4.550 0.001 0.000 0.480 483 Y C 0.780 176.731 175.900 0.086 0.000 1.192 483 Y CA 0.749 58.883 58.100 0.056 0.000 2.762 483 Y CB -1.012 37.470 38.460 0.037 0.000 1.005 483 Y HN 0.484 nan 8.280 nan 0.000 0.560 484 K N -0.116 120.431 120.400 0.244 0.000 2.482 484 K HA 0.566 4.886 4.320 0.001 0.000 0.257 484 K C 0.307 176.975 176.600 0.113 0.000 0.969 484 K CA 0.083 56.470 56.287 0.167 0.000 0.842 484 K CB 2.062 34.649 32.500 0.145 0.000 1.359 484 K HN 0.238 nan 8.250 nan 0.000 0.441 485 G N 0.889 109.744 108.800 0.092 0.000 3.690 485 G HA2 -0.005 3.955 3.960 0.001 0.000 0.283 485 G HA3 -0.005 3.955 3.960 0.001 0.000 0.283 485 G C 0.027 174.957 174.900 0.050 0.000 1.057 485 G CA -0.216 44.924 45.100 0.066 0.000 0.821 485 G HN 0.627 nan 8.290 nan 0.000 0.526 486 N N -0.635 118.097 118.700 0.053 0.000 2.377 486 N HA 0.071 4.811 4.740 0.001 0.000 0.259 486 N C -0.207 175.327 175.510 0.039 0.000 1.332 486 N CA -0.579 52.495 53.050 0.040 0.000 0.877 486 N CB 0.072 38.582 38.487 0.037 0.000 1.299 486 N HN 0.267 nan 8.380 nan 0.000 0.501 487 E N 0.934 121.160 120.200 0.043 0.000 2.415 487 E HA 0.344 4.695 4.350 0.001 0.000 0.263 487 E C -0.006 176.612 176.600 0.029 0.000 0.995 487 E CA -0.316 56.108 56.400 0.040 0.000 0.915 487 E CB 0.675 30.401 29.700 0.044 0.000 0.951 487 E HN 0.439 nan 8.360 nan 0.000 0.449 488 A N 4.414 127.249 122.820 0.025 0.000 2.406 488 A HA 0.036 4.356 4.320 0.001 0.000 0.243 488 A C -0.371 177.223 177.584 0.016 0.000 1.082 488 A CA -0.371 51.678 52.037 0.019 0.000 0.786 488 A CB 0.289 19.299 19.000 0.018 0.000 1.029 488 A HN 0.687 nan 8.150 nan 0.000 0.495 489 D N 2.179 122.586 120.400 0.013 0.000 2.417 489 D HA 0.217 4.857 4.640 0.001 0.000 0.250 489 D C -1.034 175.272 176.300 0.010 0.000 1.166 489 D CA -1.072 52.934 54.000 0.010 0.000 0.881 489 D CB 0.671 41.476 40.800 0.007 0.000 1.164 489 D HN 0.310 nan 8.370 nan 0.000 0.467 490 P HA -0.153 nan 4.420 nan 0.000 0.215 490 P C 0.038 177.342 177.300 0.007 0.000 1.153 490 P CA 1.157 64.262 63.100 0.009 0.000 0.853 490 P CB 0.623 32.328 31.700 0.008 0.000 0.788 491 Q N -0.614 119.189 119.800 0.005 0.000 2.397 491 Q HA 0.361 4.701 4.340 0.001 0.000 0.275 491 Q C -2.643 173.359 176.000 0.004 0.000 1.090 491 Q CA -2.644 53.161 55.803 0.004 0.000 0.809 491 Q CB 2.074 30.814 28.738 0.003 0.000 1.362 491 Q HN 0.090 nan 8.270 nan 0.000 0.431 492 P HA -0.042 nan 4.420 nan 0.000 0.260 492 P C 0.572 177.873 177.300 0.002 0.000 1.185 492 P CA 1.238 64.340 63.100 0.003 0.000 0.763 492 P CB 0.263 31.964 31.700 0.002 0.000 0.776 493 G N 2.211 111.012 108.800 0.002 0.000 2.213 493 G HA2 -0.192 3.769 3.960 0.001 0.000 0.226 493 G HA3 -0.192 3.769 3.960 0.001 0.000 0.226 493 G C -0.057 174.843 174.900 0.000 0.000 0.992 493 G CA 0.052 45.153 45.100 0.001 0.000 0.632 493 G HN 0.751 nan 8.290 nan 0.000 0.511 494 V N -0.425 119.489 119.914 0.001 0.000 2.417 494 V HA 0.820 4.940 4.120 0.001 0.000 0.291 494 V C 0.615 176.711 176.094 0.002 0.000 1.024 494 V CA -1.308 60.992 62.300 0.001 0.000 0.861 494 V CB 1.838 33.661 31.823 0.001 0.000 0.985 494 V HN 0.614 nan 8.190 nan 0.000 0.436 495 I N 4.095 124.666 120.570 0.001 0.000 2.575 495 I HA 0.343 4.514 4.170 0.001 0.000 0.285 495 I C 0.999 177.118 176.117 0.003 0.000 1.085 495 I CA 0.372 61.674 61.300 0.003 0.000 1.403 495 I CB 1.619 39.620 38.000 0.001 0.000 1.409 495 I HN 1.008 nan 8.210 nan 0.000 0.557 496 S N 5.541 121.245 115.700 0.007 0.000 2.568 496 S HA -0.028 4.443 4.470 0.001 0.000 0.282 496 S C 1.434 176.035 174.600 0.003 0.000 1.338 496 S CA -0.268 57.937 58.200 0.008 0.000 1.045 496 S CB 0.545 63.754 63.200 0.015 0.000 0.873 496 S HN 0.875 nan 8.310 nan 0.000 0.516 497 C N 2.615 121.915 119.300 -0.000 0.000 2.422 497 C HA 0.041 4.502 4.460 0.001 0.000 0.286 497 C C 2.273 177.252 174.990 -0.019 0.000 1.412 497 C CA 0.774 59.786 59.018 -0.009 0.000 1.786 497 C CB -2.380 25.354 27.740 -0.009 0.000 1.835 497 C HN 0.956 nan 8.230 nan 0.000 0.533 498 T N -3.015 111.531 114.554 -0.014 0.000 3.107 498 T HA 0.181 4.531 4.350 0.001 0.000 0.249 498 T C 0.739 175.430 174.700 -0.015 0.000 1.096 498 T CA -0.036 62.044 62.100 -0.034 0.000 1.012 498 T CB -0.193 68.663 68.868 -0.021 0.000 0.977 498 T HN 0.464 nan 8.240 nan 0.000 0.527 499 R N 1.046 121.546 120.500 0.000 0.000 2.490 499 R HA 0.645 4.985 4.340 0.001 0.000 0.278 499 R C -0.396 175.913 176.300 0.015 0.000 1.069 499 R CA -0.403 55.705 56.100 0.013 0.000 1.080 499 R CB 0.820 31.128 30.300 0.013 0.000 1.030 499 R HN 0.373 nan 8.270 nan 0.000 0.491 500 L N 0.542 121.785 121.223 0.032 0.000 2.409 500 L HA 0.323 4.664 4.340 0.001 0.000 0.262 500 L C 0.022 176.920 176.870 0.046 0.000 0.992 500 L CA -0.889 53.980 54.840 0.048 0.000 0.817 500 L CB 2.520 44.631 42.059 0.087 0.000 1.350 500 L HN 0.500 nan 8.230 nan 0.000 0.411 501 T N 1.051 115.625 114.554 0.032 0.000 2.867 501 T HA 0.028 4.379 4.350 0.001 0.000 0.297 501 T C 0.656 175.358 174.700 0.004 0.000 0.989 501 T CA 0.113 62.212 62.100 -0.001 0.000 1.159 501 T CB 0.130 68.974 68.868 -0.039 0.000 0.928 501 T HN 0.368 nan 8.240 nan 0.000 0.538 502 R N 2.831 123.332 120.500 0.000 0.000 4.792 502 R HA 0.258 4.598 4.340 0.001 0.000 0.205 502 R C 1.128 177.394 176.300 -0.056 0.000 1.875 502 R CA -0.342 55.768 56.100 0.016 0.000 1.588 502 R CB -0.702 29.609 30.300 0.017 0.000 1.401 502 R HN 0.789 nan 8.270 nan 0.000 0.834 503 G N 0.438 109.128 108.800 -0.184 0.000 2.684 503 G HA2 0.003 3.963 3.960 0.001 0.000 0.255 503 G HA3 0.003 3.963 3.960 0.001 0.000 0.255 503 G C -0.232 174.457 174.900 -0.352 0.000 1.219 503 G CA -0.647 44.252 45.100 -0.335 0.000 0.901 503 G HN 0.374 nan 8.290 nan 0.000 0.548 504 R N 0.741 121.074 120.500 -0.279 0.000 3.235 504 R HA 0.128 4.468 4.340 0.001 0.000 0.232 504 R C 0.262 176.475 176.300 -0.146 0.000 1.475 504 R CA -0.358 55.651 56.100 -0.152 0.000 1.405 504 R CB -0.433 29.811 30.300 -0.093 0.000 1.266 504 R HN 0.616 nan 8.270 nan 0.000 0.650 505 Y N 0.856 121.138 120.300 -0.030 0.000 2.403 505 Y HA -0.237 4.313 4.550 0.000 0.000 0.291 505 Y C 2.048 177.933 175.900 -0.024 0.000 1.143 505 Y CA 1.513 59.587 58.100 -0.043 0.000 1.257 505 Y CB 0.017 38.365 38.460 -0.187 0.000 0.984 505 Y HN 0.454 nan 8.280 nan 0.000 0.550 506 D N -0.393 120.070 120.400 0.105 0.000 2.144 506 D HA -0.215 4.426 4.640 0.001 0.000 0.199 506 D C 1.877 178.198 176.300 0.035 0.000 0.984 506 D CA 1.319 55.359 54.000 0.066 0.000 0.834 506 D CB -0.588 40.237 40.800 0.042 0.000 0.955 506 D HN 0.361 nan 8.370 nan 0.000 0.465 507 M N -0.188 119.416 119.600 0.007 0.000 2.175 507 M HA -0.033 4.448 4.480 0.001 0.000 0.264 507 M C 2.547 178.836 176.300 -0.017 0.000 1.063 507 M CA 0.900 56.185 55.300 -0.024 0.000 1.119 507 M CB -0.192 32.380 32.600 -0.047 0.000 1.377 507 M HN 0.013 nan 8.290 nan 0.000 0.415 508 M N -0.057 119.569 119.600 0.043 0.000 2.117 508 M HA -0.253 4.227 4.480 0.001 0.000 0.262 508 M C 2.246 178.645 176.300 0.165 0.000 1.065 508 M CA 1.709 57.074 55.300 0.109 0.000 1.114 508 M CB -0.110 32.645 32.600 0.258 0.000 1.361 508 M HN 0.255 nan 8.290 nan 0.000 0.408 509 M N 0.983 120.700 119.600 0.195 0.000 2.108 509 M HA -0.198 4.283 4.480 0.001 0.000 0.261 509 M C 1.622 178.002 176.300 0.133 0.000 1.066 509 M CA 1.962 57.396 55.300 0.223 0.000 1.107 509 M CB -0.535 32.164 32.600 0.165 0.000 1.356 509 M HN 0.317 nan 8.290 nan 0.000 0.406 510 E N -0.366 119.852 120.200 0.031 0.000 2.204 510 E HA -0.097 4.254 4.350 0.001 0.000 0.194 510 E C 1.930 178.467 176.600 -0.105 0.000 0.989 510 E CA 0.947 57.331 56.400 -0.025 0.000 0.824 510 E CB -0.354 29.316 29.700 -0.049 0.000 0.756 510 E HN 0.667 nan 8.360 nan 0.000 0.477 511 A N 0.678 123.357 122.820 -0.234 0.000 2.024 511 A HA -0.134 4.186 4.320 0.001 0.000 0.220 511 A C 1.455 178.646 177.584 -0.654 0.000 1.164 511 A CA 1.054 52.793 52.037 -0.498 0.000 0.643 511 A CB -0.481 18.078 19.000 -0.735 0.000 0.806 511 A HN 0.198 nan 8.150 nan 0.000 0.451 512 F N -1.655 118.313 119.950 0.030 0.000 2.639 512 F HA 0.424 4.951 4.527 0.001 0.000 0.302 512 F C 1.635 177.445 175.800 0.017 0.000 1.097 512 F CA 0.521 58.535 58.000 0.025 0.000 1.294 512 F CB 0.600 39.622 39.000 0.037 0.000 1.027 512 F HN 0.313 nan 8.300 nan 0.000 0.550 513 G N 0.233 109.088 108.800 0.092 0.000 2.179 513 G HA2 -0.164 3.796 3.960 0.001 0.000 0.220 513 G HA3 -0.164 3.796 3.960 0.001 0.000 0.220 513 G C 0.629 175.573 174.900 0.074 0.000 0.990 513 G CA -0.374 44.767 45.100 0.069 0.000 0.646 513 G HN 0.696 nan 8.290 nan 0.000 0.517 514 G N -0.457 108.404 108.800 0.102 0.000 2.557 514 G HA2 0.595 4.555 3.960 0.001 0.000 0.292 514 G HA3 0.595 4.555 3.960 0.001 0.000 0.292 514 G C -0.215 174.717 174.900 0.055 0.000 1.237 514 G CA 0.102 45.260 45.100 0.096 0.000 0.978 514 G HN 0.543 nan 8.290 nan 0.000 0.498 515 K N -0.787 119.649 120.400 0.061 0.000 2.182 515 K HA 0.631 4.951 4.320 0.001 0.000 0.262 515 K C 0.021 176.625 176.600 0.007 0.000 0.957 515 K CA -0.355 55.929 56.287 -0.004 0.000 0.842 515 K CB 1.270 33.785 32.500 0.025 0.000 1.099 515 K HN 0.660 nan 8.250 nan 0.000 0.438 516 G N 2.757 111.481 108.800 -0.127 0.000 2.495 516 G HA2 0.611 4.572 3.960 0.001 0.000 0.318 516 G HA3 0.611 4.572 3.960 0.001 0.000 0.318 516 G C -1.676 173.095 174.900 -0.215 0.000 1.257 516 G CA -0.422 44.649 45.100 -0.048 0.000 0.962 516 G HN 0.429 nan 8.290 nan 0.000 0.483 517 Y N -0.360 119.935 120.300 -0.009 0.000 2.605 517 Y HA 0.661 5.212 4.550 0.001 0.000 0.343 517 Y C -0.174 175.716 175.900 -0.017 0.000 1.036 517 Y CA -1.071 57.020 58.100 -0.016 0.000 1.065 517 Y CB 2.770 41.215 38.460 -0.025 0.000 1.288 517 Y HN 0.376 nan 8.280 nan 0.000 0.481 518 V N 1.627 121.631 119.914 0.152 0.000 2.482 518 V HA 0.758 4.878 4.120 0.001 0.000 0.295 518 V C -0.816 175.315 176.094 0.061 0.000 1.026 518 V CA -0.934 61.412 62.300 0.076 0.000 0.856 518 V CB 1.383 33.228 31.823 0.038 0.000 1.001 518 V HN 0.851 nan 8.190 nan 0.000 0.424 519 A N 3.346 126.185 122.820 0.032 0.000 2.287 519 A HA 0.608 4.928 4.320 0.001 0.000 0.317 519 A C 0.306 177.886 177.584 -0.006 0.000 1.220 519 A CA -0.486 51.555 52.037 0.007 0.000 0.835 519 A CB 0.352 19.340 19.000 -0.019 0.000 1.180 519 A HN 0.900 nan 8.150 nan 0.000 0.500 520 N N 0.179 118.876 118.700 -0.005 0.000 2.250 520 N HA 0.093 4.833 4.740 0.001 0.000 0.190 520 N C 0.103 175.602 175.510 -0.017 0.000 1.116 520 N CA 0.826 53.869 53.050 -0.011 0.000 0.881 520 N CB 0.761 39.245 38.487 -0.006 0.000 1.006 520 N HN 0.785 nan 8.380 nan 0.000 0.491 521 T N -3.799 110.746 114.554 -0.016 0.000 2.864 521 T HA 0.318 4.669 4.350 0.001 0.000 0.299 521 T C -2.516 172.172 174.700 -0.021 0.000 1.166 521 T CA -1.737 60.352 62.100 -0.018 0.000 1.007 521 T CB 2.073 70.935 68.868 -0.010 0.000 1.219 521 T HN -0.358 nan 8.240 nan 0.000 0.506 522 P HA -0.021 nan 4.420 nan 0.000 0.216 522 P C 1.652 178.942 177.300 -0.016 0.000 1.150 522 P CA 1.669 64.758 63.100 -0.019 0.000 0.837 522 P CB -0.224 31.469 31.700 -0.011 0.000 0.786 523 A N 0.039 122.853 122.820 -0.010 0.000 1.902 523 A HA -0.231 4.090 4.320 0.001 0.000 0.217 523 A C 2.111 179.689 177.584 -0.010 0.000 1.181 523 A CA 1.626 53.660 52.037 -0.006 0.000 0.623 523 A CB -1.121 17.879 19.000 -0.000 0.000 0.818 523 A HN 0.195 nan 8.150 nan 0.000 0.443 524 E N -0.730 119.464 120.200 -0.010 0.000 2.106 524 E HA -0.148 4.203 4.350 0.001 0.000 0.192 524 E C 1.919 178.500 176.600 -0.032 0.000 0.984 524 E CA 1.012 57.408 56.400 -0.006 0.000 0.806 524 E CB -0.243 29.461 29.700 0.005 0.000 0.750 524 E HN 0.495 nan 8.360 nan 0.000 0.458 525 L N 1.982 123.177 121.223 -0.045 0.000 2.017 525 L HA -0.175 4.166 4.340 0.001 0.000 0.208 525 L C 2.232 179.034 176.870 -0.113 0.000 1.073 525 L CA 1.914 56.705 54.840 -0.081 0.000 0.745 525 L CB -0.397 41.621 42.059 -0.067 0.000 0.894 525 L HN -0.102 nan 8.230 nan 0.000 0.432 526 K N -0.647 119.710 120.400 -0.072 0.000 2.026 526 K HA -0.175 4.145 4.320 0.001 0.000 0.208 526 K C 2.015 178.565 176.600 -0.083 0.000 1.048 526 K CA 1.489 57.737 56.287 -0.064 0.000 0.929 526 K CB -0.314 32.180 32.500 -0.011 0.000 0.713 526 K HN 0.436 nan 8.250 nan 0.000 0.439 527 A N 1.065 123.851 122.820 -0.056 0.000 1.883 527 A HA -0.160 4.160 4.320 0.001 0.000 0.217 527 A C 2.355 179.875 177.584 -0.107 0.000 1.186 527 A CA 2.152 54.163 52.037 -0.044 0.000 0.624 527 A CB -0.965 18.032 19.000 -0.006 0.000 0.822 527 A HN 0.525 nan 8.150 nan 0.000 0.444 528 A N -0.752 121.959 122.820 -0.182 0.000 1.898 528 A HA -0.001 4.320 4.320 0.001 0.000 0.216 528 A C 2.134 179.373 177.584 -0.575 0.000 1.181 528 A CA 1.711 53.470 52.037 -0.463 0.000 0.620 528 A CB -0.644 18.050 19.000 -0.510 0.000 0.819 528 A HN 0.692 nan 8.150 nan 0.000 0.442 529 L N 0.421 121.387 121.223 -0.430 0.000 2.042 529 L HA -0.180 4.160 4.340 0.001 0.000 0.210 529 L C 2.201 178.768 176.870 -0.504 0.000 1.076 529 L CA 2.479 57.022 54.840 -0.495 0.000 0.749 529 L CB -0.739 41.012 42.059 -0.513 0.000 0.893 529 L HN 0.555 nan 8.230 nan 0.000 0.432 530 E N -0.717 119.293 120.200 -0.318 0.000 2.051 530 E HA -0.279 4.072 4.350 0.001 0.000 0.192 530 E C 2.035 178.606 176.600 -0.049 0.000 0.991 530 E CA 1.373 57.717 56.400 -0.095 0.000 0.799 530 E CB -0.213 29.515 29.700 0.048 0.000 0.748 530 E HN 0.666 nan 8.360 nan 0.000 0.449 531 E N 1.005 121.158 120.200 -0.078 0.000 2.047 531 E HA -0.198 4.153 4.350 0.001 0.000 0.191 531 E C 2.113 178.705 176.600 -0.012 0.000 0.987 531 E CA 0.964 57.359 56.400 -0.007 0.000 0.799 531 E CB -0.080 29.650 29.700 0.050 0.000 0.752 531 E HN 0.199 nan 8.360 nan 0.000 0.449 532 A N 0.764 123.497 122.820 -0.144 0.000 1.859 532 A HA -0.199 4.122 4.320 0.001 0.000 0.217 532 A C 2.469 180.035 177.584 -0.030 0.000 1.198 532 A CA 1.934 53.915 52.037 -0.092 0.000 0.629 532 A CB -1.066 17.768 19.000 -0.278 0.000 0.830 532 A HN 0.245 nan 8.150 nan 0.000 0.446 533 V N -0.230 119.638 119.914 -0.077 0.000 2.332 533 V HA -0.262 3.858 4.120 0.001 0.000 0.248 533 V C 2.994 179.136 176.094 0.080 0.000 1.055 533 V CA 2.091 64.401 62.300 0.018 0.000 1.038 533 V CB -1.184 30.678 31.823 0.065 0.000 0.651 533 V HN 0.650 nan 8.190 nan 0.000 0.450 534 A N 0.401 123.271 122.820 0.082 0.000 2.014 534 A HA -0.136 4.184 4.320 0.001 0.000 0.218 534 A C 2.476 180.103 177.584 0.072 0.000 1.163 534 A CA 1.691 53.780 52.037 0.088 0.000 0.652 534 A CB -0.542 18.511 19.000 0.088 0.000 0.808 534 A HN 0.685 nan 8.150 nan 0.000 0.449 535 S N -1.392 114.350 115.700 0.070 0.000 2.453 535 S HA 0.253 4.723 4.470 0.001 0.000 0.231 535 S C 1.640 176.282 174.600 0.070 0.000 1.005 535 S CA 1.264 59.508 58.200 0.073 0.000 0.949 535 S CB -0.682 62.572 63.200 0.090 0.000 0.774 535 S HN 1.900 nan 8.310 nan 0.000 0.510 536 G N 0.923 109.765 108.800 0.071 0.000 2.155 536 G HA2 -0.277 3.683 3.960 0.001 0.000 0.257 536 G HA3 -0.277 3.683 3.960 0.001 0.000 0.257 536 G C -0.050 174.895 174.900 0.075 0.000 0.983 536 G CA 0.620 45.763 45.100 0.071 0.000 0.676 536 G HN 0.644 nan 8.290 nan 0.000 0.528 537 K N 0.802 121.250 120.400 0.080 0.000 2.123 537 K HA 0.543 4.864 4.320 0.001 0.000 0.248 537 K C -2.464 174.192 176.600 0.094 0.000 0.969 537 K CA -2.085 54.253 56.287 0.085 0.000 0.882 537 K CB 1.867 34.419 32.500 0.085 0.000 1.080 537 K HN -0.011 nan 8.250 nan 0.000 0.441 538 P HA 0.134 nan 4.420 nan 0.000 0.282 538 P C -0.775 176.597 177.300 0.119 0.000 1.274 538 P CA -0.263 62.900 63.100 0.105 0.000 0.770 538 P CB 0.370 32.135 31.700 0.108 0.000 0.867 539 C N 3.734 123.108 119.300 0.123 0.000 2.848 539 C HA 0.723 5.183 4.460 0.001 0.000 0.317 539 C C -0.140 174.929 174.990 0.133 0.000 1.260 539 C CA -0.614 58.504 59.018 0.166 0.000 1.656 539 C CB 1.753 29.624 27.740 0.219 0.000 2.174 539 C HN 0.568 nan 8.230 nan 0.000 0.479 540 L N 1.809 123.133 121.223 0.168 0.000 2.470 540 L HA 0.688 5.028 4.340 0.001 0.000 0.268 540 L C -1.470 175.479 176.870 0.133 0.000 0.964 540 L CA -0.288 54.609 54.840 0.095 0.000 0.839 540 L CB 0.948 43.048 42.059 0.069 0.000 1.276 540 L HN 0.678 nan 8.230 nan 0.000 0.403 541 I N 4.148 124.736 120.570 0.031 0.000 2.328 541 I HA 0.286 4.457 4.170 0.001 0.000 0.287 541 I C -0.296 175.813 176.117 -0.012 0.000 1.012 541 I CA -0.504 60.810 61.300 0.023 0.000 1.195 541 I CB 1.429 39.369 38.000 -0.099 0.000 1.350 541 I HN 0.538 nan 8.210 nan 0.000 0.464 542 N N 6.010 124.728 118.700 0.030 0.000 2.555 542 N HA 0.292 5.032 4.740 0.001 0.000 0.244 542 N C -0.342 175.171 175.510 0.005 0.000 1.114 542 N CA -0.178 52.885 53.050 0.020 0.000 0.963 542 N CB 0.824 39.353 38.487 0.070 0.000 1.276 542 N HN 0.674 nan 8.380 nan 0.000 0.510 543 A N 4.334 127.137 122.820 -0.029 0.000 2.347 543 A HA 0.322 4.643 4.320 0.001 0.000 0.287 543 A C 0.312 177.872 177.584 -0.040 0.000 1.199 543 A CA -0.488 51.525 52.037 -0.040 0.000 0.851 543 A CB -0.056 18.907 19.000 -0.062 0.000 1.118 543 A HN 0.542 nan 8.150 nan 0.000 0.525 544 M N 4.238 123.819 119.600 -0.032 0.000 2.220 544 M HA 0.246 4.726 4.480 0.001 0.000 0.343 544 M C -0.337 175.923 176.300 -0.067 0.000 1.470 544 M CA -0.022 55.258 55.300 -0.033 0.000 1.161 544 M CB -0.554 32.035 32.600 -0.019 0.000 1.737 544 M HN 0.368 nan 8.290 nan 0.000 0.464 545 I N 2.090 122.608 120.570 -0.088 0.000 2.460 545 I HA 0.212 4.383 4.170 0.001 0.000 0.298 545 I C 0.548 176.607 176.117 -0.098 0.000 0.989 545 I CA -0.750 60.457 61.300 -0.154 0.000 1.173 545 I CB 1.310 39.143 38.000 -0.280 0.000 1.338 545 I HN 0.525 nan 8.210 nan 0.000 0.456 546 D N 7.702 128.044 120.400 -0.097 0.000 2.472 546 D HA 0.003 4.643 4.640 0.001 0.000 0.248 546 D C -1.715 174.578 176.300 -0.012 0.000 1.174 546 D CA -1.060 52.916 54.000 -0.041 0.000 0.883 546 D CB 1.507 42.289 40.800 -0.031 0.000 1.149 546 D HN 0.209 nan 8.370 nan 0.000 0.488 547 P HA -0.101 nan 4.420 nan 0.000 0.223 547 P C 0.361 177.697 177.300 0.061 0.000 1.144 547 P CA 1.004 64.128 63.100 0.039 0.000 0.783 547 P CB 0.335 32.054 31.700 0.032 0.000 0.771 548 D N -2.223 118.208 120.400 0.053 0.000 2.433 548 D HA 0.181 4.821 4.640 0.001 0.000 0.211 548 D C 1.723 178.074 176.300 0.085 0.000 1.114 548 D CA -0.019 54.020 54.000 0.066 0.000 0.837 548 D CB -0.213 40.614 40.800 0.046 0.000 0.984 548 D HN -0.134 nan 8.370 nan 0.000 0.505 549 A N 0.003 122.877 122.820 0.091 0.000 2.015 549 A HA 0.257 4.577 4.320 0.001 0.000 0.219 549 A C 1.565 179.303 177.584 0.257 0.000 1.163 549 A CA 1.010 53.126 52.037 0.130 0.000 0.646 549 A CB -0.638 18.392 19.000 0.050 0.000 0.806 549 A HN 0.285 nan 8.150 nan 0.000 0.448 550 G N -0.940 108.048 108.800 0.313 0.000 2.537 550 G HA2 0.484 4.444 3.960 0.001 0.000 0.273 550 G HA3 0.484 4.444 3.960 0.001 0.000 0.273 550 G C -0.173 174.796 174.900 0.115 0.000 1.189 550 G CA 0.325 45.593 45.100 0.280 0.000 0.881 550 G HN 1.038 nan 8.290 nan 0.000 0.535 551 V N -1.319 118.607 119.914 0.021 0.000 2.864 551 V HA 0.658 4.779 4.120 0.001 0.000 0.314 551 V C -0.132 175.885 176.094 -0.129 0.000 1.073 551 V CA -1.276 61.004 62.300 -0.033 0.000 0.956 551 V CB 1.921 33.709 31.823 -0.058 0.000 1.023 551 V HN 0.796 nan 8.190 nan 0.000 0.435 552 E N 2.463 122.551 120.200 -0.188 0.000 1.944 552 E HA 0.612 4.963 4.350 0.001 0.000 0.272 552 E C 0.077 176.341 176.600 -0.561 0.000 1.195 552 E CA 1.066 57.163 56.400 -0.505 0.000 0.926 552 E CB -0.459 29.067 29.700 -0.289 0.000 1.051 552 E HN 1.430 nan 8.360 nan 0.000 0.404 553 S N 0.000 115.286 115.700 -0.690 0.000 2.498 553 S HA 0.000 4.470 4.470 0.001 0.000 0.327 553 S CA 0.000 nan 58.200 nan 0.000 1.107 553 S CB 0.000 nan 63.200 nan 0.000 0.593 553 S HN 0.000 nan 8.310 nan 0.000 0.517