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 2vak_1_L DATA FIRST_RESID 4 DATA SEQUENCE ISEFGSTMAR AIYDFFSTPF GNRGLATNRT QLSSLLSSSN SPWQXXXXXX DATA SEQUENCE XXXXXXXIVS TPEAPYPGSL MYQESMLHSA TVPGVLGSRD AWRTFNVFGL DATA SEQUENCE SWTDEGLSGL VAAQDPPPAA PYQPASAQWS DLLNYPRWAN RRRELQSKYP DATA SEQUENCE LLLRSTLLSA MRAGPVLYVE TWPNMISGRL ADWFMSQYGN NFVDMCARLT DATA SEQUENCE QSCSNMPVEP DGNYDQQMRA LISLWLLSYI GVVNQTNTIS GFYFSSKTRG DATA SEQUENCE QALDSWTLFY TTNTNRVQIT QRHFAYVCAR SPDWNVDKSW IAAANLTAIV DATA SEQUENCE MACRQPPVFA NQGVINQAQN RPGFSMNGGT PVHELNLLTT AQECIRQWVM DATA SEQUENCE AGLVSAAKGQ ALTQEANDFS NLIQADLGQI KAQDDALYNQ QPGYARRIKP DATA SEQUENCE FVNGDWTPGM TAQALAVLAT FTA 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.052 176.117 -0.108 0.000 1.063 4 I CA 0.000 61.237 61.300 -0.105 0.000 1.566 4 I CB 0.000 37.946 38.000 -0.090 0.000 1.214 5 S N 1.725 117.360 115.700 -0.108 0.000 2.513 5 S HA 0.219 4.689 4.470 0.000 0.000 0.276 5 S C 1.358 175.857 174.600 -0.167 0.000 1.254 5 S CA 0.065 58.203 58.200 -0.104 0.000 1.053 5 S CB 1.327 64.490 63.200 -0.061 0.000 0.958 5 S HN 0.559 nan 8.310 nan 0.000 0.491 6 E N 3.705 123.730 120.200 -0.291 0.000 2.268 6 E HA -0.107 4.243 4.350 0.000 0.000 0.195 6 E C 0.537 176.818 176.600 -0.532 0.000 0.995 6 E CA 1.117 57.239 56.400 -0.464 0.000 0.836 6 E CB -0.345 28.972 29.700 -0.638 0.000 0.763 6 E HN 0.753 nan 8.360 nan 0.000 0.491 7 F N 1.097 120.993 119.950 -0.091 0.000 2.619 7 F HA 0.322 4.850 4.527 0.000 0.000 0.293 7 F C 1.668 177.382 175.800 -0.143 0.000 1.119 7 F CA 0.702 58.637 58.000 -0.108 0.000 1.445 7 F CB 0.155 39.098 39.000 -0.094 0.000 1.119 7 F HN 0.257 nan 8.300 nan 0.000 0.573 8 G N 0.020 108.810 108.800 -0.016 0.000 2.593 8 G HA2 -0.227 3.733 3.960 0.000 0.000 0.237 8 G HA3 -0.227 3.733 3.960 0.000 0.000 0.237 8 G C -0.245 174.610 174.900 -0.075 0.000 1.312 8 G CA -0.348 44.698 45.100 -0.089 0.000 0.896 8 G HN 0.121 nan 8.290 nan 0.000 0.574 9 S N 0.824 116.465 115.700 -0.098 0.000 2.512 9 S HA 0.525 4.995 4.470 0.000 0.000 0.291 9 S C 1.207 175.761 174.600 -0.078 0.000 1.151 9 S CA 0.526 58.670 58.200 -0.093 0.000 1.120 9 S CB 0.953 64.094 63.200 -0.098 0.000 1.029 9 S HN 1.401 nan 8.310 nan 0.000 0.485 10 T N -0.343 114.167 114.554 -0.074 0.000 3.040 10 T HA 0.336 4.686 4.350 0.000 0.000 0.250 10 T C 0.537 175.185 174.700 -0.086 0.000 1.058 10 T CA -0.074 61.976 62.100 -0.082 0.000 0.988 10 T CB -0.126 68.692 68.868 -0.084 0.000 0.993 10 T HN 0.376 nan 8.240 nan 0.000 0.519 11 M N 2.369 121.918 119.600 -0.084 0.000 2.185 11 M HA 0.568 5.048 4.480 0.000 0.000 0.357 11 M C 0.546 176.797 176.300 -0.081 0.000 1.260 11 M CA -0.671 54.580 55.300 -0.081 0.000 1.124 11 M CB 1.035 33.587 32.600 -0.080 0.000 1.600 11 M HN 0.288 nan 8.290 nan 0.000 0.467 12 A N 3.214 125.989 122.820 -0.074 0.000 2.483 12 A HA 0.229 4.549 4.320 0.000 0.000 0.238 12 A C 0.101 177.626 177.584 -0.098 0.000 1.070 12 A CA -0.255 51.739 52.037 -0.072 0.000 0.770 12 A CB 0.188 19.157 19.000 -0.052 0.000 1.008 12 A HN 0.898 nan 8.150 nan 0.000 0.497 13 R N 1.312 121.731 120.500 -0.135 0.000 2.489 13 R HA 0.367 4.707 4.340 0.000 0.000 0.287 13 R C 0.439 176.567 176.300 -0.286 0.000 1.053 13 R CA 1.088 57.030 56.100 -0.263 0.000 1.036 13 R CB 0.402 30.479 30.300 -0.370 0.000 0.966 13 R HN 0.751 nan 8.270 nan 0.000 0.432 14 A N 5.326 127.983 122.820 -0.273 0.000 2.427 14 A HA 0.321 4.641 4.320 0.000 0.000 0.225 14 A C 0.198 177.691 177.584 -0.151 0.000 1.257 14 A CA -0.322 51.639 52.037 -0.127 0.000 0.985 14 A CB 0.263 19.233 19.000 -0.051 0.000 1.136 14 A HN 0.622 nan 8.150 nan 0.000 0.538 15 I N 0.923 121.310 120.570 -0.305 0.000 2.354 15 I HA 0.288 4.458 4.170 0.000 0.000 0.286 15 I C -1.322 174.595 176.117 -0.334 0.000 1.007 15 I CA -0.572 60.622 61.300 -0.176 0.000 1.167 15 I CB 1.122 39.074 38.000 -0.080 0.000 1.320 15 I HN 0.235 nan 8.210 nan 0.000 0.458 16 Y N 4.226 124.440 120.300 -0.144 0.000 2.944 16 Y HA 0.319 4.869 4.550 0.000 0.000 0.335 16 Y C -0.134 175.809 175.900 0.071 0.000 1.075 16 Y CA -0.944 56.971 58.100 -0.309 0.000 1.240 16 Y CB 0.210 38.337 38.460 -0.555 0.000 1.167 16 Y HN 0.452 nan 8.280 nan 0.000 0.555 17 D N 1.890 122.507 120.400 0.362 0.000 2.225 17 D HA 0.265 4.905 4.640 0.000 0.000 0.249 17 D C -1.082 175.636 176.300 0.697 0.000 1.052 17 D CA -0.188 54.099 54.000 0.477 0.000 0.909 17 D CB 1.521 42.500 40.800 0.299 0.000 1.186 17 D HN 0.272 nan 8.370 nan 0.000 0.431 18 F N 2.397 122.659 119.950 0.520 0.000 2.529 18 F HA 0.508 5.035 4.527 0.000 0.000 0.320 18 F C -1.775 174.125 175.800 0.165 0.000 1.118 18 F CA -1.173 57.029 58.000 0.337 0.000 0.915 18 F CB 1.118 40.282 39.000 0.274 0.000 1.161 18 F HN 0.111 nan 8.300 nan 0.000 0.445 19 F N 5.356 124.524 119.950 -1.304 0.000 2.467 19 F HA 0.566 5.093 4.527 0.000 0.000 0.336 19 F C -0.290 174.681 175.800 -1.382 0.000 1.123 19 F CA -0.672 56.424 58.000 -1.507 0.000 0.964 19 F CB 1.364 39.204 39.000 -1.933 0.000 1.136 19 F HN 0.539 nan 8.300 nan 0.000 0.447 20 S N 2.971 117.920 115.700 -1.252 0.000 2.617 20 S HA 0.413 4.883 4.470 0.000 0.000 0.269 20 S C -0.099 174.104 174.600 -0.661 0.000 1.292 20 S CA -0.722 57.102 58.200 -0.628 0.000 1.010 20 S CB 0.912 64.029 63.200 -0.138 0.000 0.944 20 S HN 0.668 nan 8.310 nan 0.000 0.536 21 T N 4.251 118.665 114.554 -0.234 0.000 2.867 21 T HA 0.277 4.627 4.350 0.000 0.000 0.297 21 T C -2.383 172.245 174.700 -0.120 0.000 0.989 21 T CA -0.375 61.650 62.100 -0.125 0.000 1.159 21 T CB -0.062 68.797 68.868 -0.015 0.000 0.928 21 T HN 0.523 nan 8.240 nan 0.000 0.538 22 P HA 0.396 nan 4.420 nan 0.000 0.275 22 P C -0.720 176.596 177.300 0.027 0.000 1.227 22 P CA -0.369 62.632 63.100 -0.165 0.000 0.781 22 P CB 0.309 31.968 31.700 -0.068 0.000 0.906 23 F N -0.729 119.220 119.950 -0.002 0.000 2.715 23 F HA 0.855 5.382 4.527 0.000 0.000 0.318 23 F C 0.237 176.085 175.800 0.080 0.000 1.141 23 F CA -1.054 56.963 58.000 0.029 0.000 0.950 23 F CB 0.563 39.597 39.000 0.058 0.000 1.374 23 F HN 0.388 nan 8.300 nan 0.000 0.477 24 G N 0.102 109.211 108.800 0.515 0.000 2.782 24 G HA2 0.202 4.163 3.960 0.000 0.000 0.201 24 G HA3 0.202 4.163 3.960 0.000 0.000 0.201 24 G C -0.097 175.085 174.900 0.469 0.000 1.374 24 G CA -0.745 44.609 45.100 0.422 0.000 1.039 24 G HN 0.635 nan 8.290 nan 0.000 0.576 25 N N 0.077 118.957 118.700 0.301 0.000 2.381 25 N HA -0.058 4.683 4.740 0.000 0.000 0.182 25 N C 1.527 177.082 175.510 0.075 0.000 1.025 25 N CA 0.523 53.665 53.050 0.153 0.000 0.888 25 N CB 0.080 38.607 38.487 0.066 0.000 0.965 25 N HN 0.278 nan 8.380 nan 0.000 0.438 26 R N 0.889 121.373 120.500 -0.027 0.000 2.515 26 R HA 0.280 4.620 4.340 0.000 0.000 0.294 26 R C 0.839 177.113 176.300 -0.044 0.000 1.021 26 R CA 0.052 56.032 56.100 -0.200 0.000 1.081 26 R CB -0.035 29.872 30.300 -0.655 0.000 1.263 26 R HN 0.141 nan 8.270 nan 0.000 0.557 27 G N 1.309 110.155 108.800 0.077 0.000 2.698 27 G HA2 -0.280 3.680 3.960 0.000 0.000 0.225 27 G HA3 -0.280 3.680 3.960 0.000 0.000 0.225 27 G C -0.659 173.804 174.900 -0.728 0.000 1.345 27 G CA -0.692 44.211 45.100 -0.329 0.000 0.871 27 G HN 0.247 nan 8.290 nan 0.000 0.540 28 L N 0.866 121.292 121.223 -1.327 0.000 2.559 28 L HA 0.522 4.862 4.340 0.000 0.000 0.274 28 L C 1.566 178.332 176.870 -0.172 0.000 1.205 28 L CA 1.178 55.574 54.840 -0.740 0.000 0.907 28 L CB 0.507 42.349 42.059 -0.363 0.000 1.153 28 L HN 1.773 nan 8.230 nan 0.000 0.490 29 A N 4.117 126.890 122.820 -0.079 0.000 3.033 29 A HA 0.414 4.734 4.320 0.000 0.000 0.250 29 A C 0.504 178.009 177.584 -0.130 0.000 1.633 29 A CA 0.265 52.306 52.037 0.006 0.000 1.290 29 A CB -0.770 18.152 19.000 -0.129 0.000 1.048 29 A HN 0.791 nan 8.150 nan 0.000 0.648 30 T N -0.238 114.160 114.554 -0.260 0.000 2.804 30 T HA 0.641 4.991 4.350 0.000 0.000 0.290 30 T C -1.020 173.316 174.700 -0.607 0.000 1.099 30 T CA -0.323 61.511 62.100 -0.444 0.000 1.011 30 T CB 1.114 69.667 68.868 -0.524 0.000 1.291 30 T HN 0.752 nan 8.240 nan 0.000 0.523 31 N N -0.366 117.971 118.700 -0.605 0.000 3.020 31 N HA 0.355 5.095 4.740 0.000 0.000 0.248 31 N C 0.382 175.663 175.510 -0.383 0.000 1.480 31 N CA -0.968 51.782 53.050 -0.500 0.000 0.874 31 N CB 0.771 39.139 38.487 -0.198 0.000 1.433 31 N HN 0.491 nan 8.380 nan 0.000 0.530 32 R N -0.758 119.641 120.500 -0.169 0.000 2.127 32 R HA -0.093 4.248 4.340 0.000 0.000 0.238 32 R C 0.590 176.824 176.300 -0.110 0.000 1.134 32 R CA 2.299 58.344 56.100 -0.090 0.000 0.975 32 R CB -0.590 29.707 30.300 -0.005 0.000 0.865 32 R HN 0.764 nan 8.270 nan 0.000 0.447 33 T N 0.514 115.003 114.554 -0.107 0.000 2.668 33 T HA -0.186 4.164 4.350 0.000 0.000 0.262 33 T C 1.699 176.331 174.700 -0.114 0.000 1.045 33 T CA 1.288 63.333 62.100 -0.091 0.000 1.152 33 T CB -0.223 68.602 68.868 -0.072 0.000 0.864 33 T HN 0.361 nan 8.240 nan 0.000 0.419 34 Q N 0.432 120.141 119.800 -0.152 0.000 2.014 34 Q HA -0.121 4.219 4.340 0.000 0.000 0.207 34 Q C 2.410 178.309 176.000 -0.168 0.000 0.993 34 Q CA 1.505 57.210 55.803 -0.164 0.000 0.850 34 Q CB -0.386 28.226 28.738 -0.210 0.000 0.916 34 Q HN 0.482 nan 8.270 nan 0.000 0.417 35 L N 0.207 121.304 121.223 -0.209 0.000 2.081 35 L HA -0.230 4.110 4.340 0.000 0.000 0.212 35 L C 2.499 179.276 176.870 -0.154 0.000 1.080 35 L CA 1.379 56.100 54.840 -0.199 0.000 0.754 35 L CB -0.459 41.469 42.059 -0.219 0.000 0.893 35 L HN 0.197 nan 8.230 nan 0.000 0.433 36 S N -0.491 115.133 115.700 -0.126 0.000 2.406 36 S HA -0.143 4.327 4.470 0.000 0.000 0.228 36 S C 2.186 176.735 174.600 -0.085 0.000 1.020 36 S CA 1.229 59.370 58.200 -0.099 0.000 0.965 36 S CB -0.179 62.976 63.200 -0.076 0.000 0.798 36 S HN 0.626 nan 8.310 nan 0.000 0.488 37 S N 2.424 118.073 115.700 -0.085 0.000 2.382 37 S HA -0.021 4.450 4.470 0.000 0.000 0.228 37 S C 1.674 176.233 174.600 -0.069 0.000 1.027 37 S CA 0.826 58.984 58.200 -0.069 0.000 0.991 37 S CB -0.705 62.453 63.200 -0.069 0.000 0.823 37 S HN 0.499 nan 8.310 nan 0.000 0.469 38 L N 0.844 122.013 121.223 -0.091 0.000 2.551 38 L HA 0.221 4.561 4.340 0.000 0.000 0.228 38 L C 0.615 177.434 176.870 -0.084 0.000 1.153 38 L CA 0.137 54.922 54.840 -0.091 0.000 0.851 38 L CB -0.591 41.391 42.059 -0.129 0.000 0.959 38 L HN 0.315 nan 8.230 nan 0.000 0.451 39 L N -1.107 120.067 121.223 -0.081 0.000 2.416 39 L HA 0.294 4.634 4.340 0.000 0.000 0.262 39 L C 0.837 177.684 176.870 -0.039 0.000 1.093 39 L CA -0.452 54.344 54.840 -0.073 0.000 0.801 39 L CB 1.274 43.283 42.059 -0.083 0.000 1.191 39 L HN 0.031 nan 8.230 nan 0.000 0.459 40 S N -0.801 114.885 115.700 -0.023 0.000 2.652 40 S HA 0.131 4.601 4.470 0.000 0.000 0.270 40 S C 1.168 175.768 174.600 0.001 0.000 1.243 40 S CA -0.125 58.074 58.200 -0.001 0.000 0.999 40 S CB 1.512 64.724 63.200 0.019 0.000 0.973 40 S HN 0.736 nan 8.310 nan 0.000 0.544 41 S N 1.259 116.963 115.700 0.007 0.000 2.392 41 S HA -0.181 4.289 4.470 0.000 0.000 0.232 41 S C 1.673 176.281 174.600 0.013 0.000 1.041 41 S CA 1.454 59.659 58.200 0.008 0.000 1.026 41 S CB -1.405 61.801 63.200 0.010 0.000 0.845 41 S HN 1.318 nan 8.310 nan 0.000 0.465 42 S N 1.499 117.213 115.700 0.023 0.000 2.710 42 S HA 0.219 4.689 4.470 0.000 0.000 0.224 42 S C 0.393 175.016 174.600 0.037 0.000 0.948 42 S CA -0.036 58.183 58.200 0.033 0.000 0.949 42 S CB -0.670 62.555 63.200 0.043 0.000 0.778 42 S HN 0.493 nan 8.310 nan 0.000 0.498 43 N N 0.313 119.024 118.700 0.019 0.000 2.878 43 N HA -0.155 4.585 4.740 0.000 0.000 0.247 43 N C -0.275 175.242 175.510 0.011 0.000 1.021 43 N CA 1.111 54.164 53.050 0.005 0.000 0.873 43 N CB -1.956 36.541 38.487 0.016 0.000 1.128 43 N HN 0.572 nan 8.380 nan 0.000 0.571 44 S N 1.465 117.184 115.700 0.032 0.000 2.474 44 S HA 0.345 4.815 4.470 0.000 0.000 0.276 44 S C -1.150 173.413 174.600 -0.062 0.000 1.227 44 S CA -1.113 57.116 58.200 0.049 0.000 1.050 44 S CB 1.182 64.457 63.200 0.124 0.000 0.939 44 S HN 0.051 nan 8.310 nan 0.000 0.490 45 P HA 0.136 nan 4.420 nan 0.000 0.249 45 P C 0.233 177.347 177.300 -0.309 0.000 1.229 45 P CA 0.360 63.231 63.100 -0.381 0.000 0.788 45 P CB -0.041 31.290 31.700 -0.616 0.000 1.072 46 W N -0.323 121.060 121.300 0.137 0.000 2.808 46 W HA 0.187 4.847 4.660 0.000 0.000 0.266 46 W C 1.531 178.087 176.519 0.061 0.000 1.247 46 W CA -0.329 57.073 57.345 0.096 0.000 1.440 46 W CB 0.324 29.829 29.460 0.076 0.000 1.040 46 W HN -0.083 nan 8.180 nan 0.000 0.606 62 V N 6.184 126.110 119.914 0.019 0.000 2.154 62 V HA 0.407 4.528 4.120 0.000 0.000 0.265 62 V C 0.433 176.515 176.094 -0.019 0.000 1.293 62 V CA 0.069 62.369 62.300 0.001 0.000 1.205 62 V CB 0.326 32.155 31.823 0.009 0.000 1.306 62 V HN 0.818 nan 8.190 nan 0.000 0.479 63 S N 3.615 119.284 115.700 -0.052 0.000 2.554 63 S HA 0.180 4.650 4.470 0.000 0.000 0.290 63 S C 0.557 175.124 174.600 -0.055 0.000 1.309 63 S CA 0.730 58.879 58.200 -0.086 0.000 1.047 63 S CB 0.585 63.705 63.200 -0.134 0.000 0.828 63 S HN 1.006 nan 8.310 nan 0.000 0.509 64 T N -0.422 114.100 114.554 -0.054 0.000 2.930 64 T HA 0.517 4.867 4.350 0.000 0.000 0.290 64 T C -2.546 172.125 174.700 -0.048 0.000 1.052 64 T CA -2.188 59.887 62.100 -0.041 0.000 1.017 64 T CB 1.532 70.382 68.868 -0.029 0.000 1.137 64 T HN 0.157 nan 8.240 nan 0.000 0.511 65 P HA -0.059 nan 4.420 nan 0.000 0.220 65 P C 1.226 178.515 177.300 -0.019 0.000 1.148 65 P CA 0.867 63.952 63.100 -0.026 0.000 0.803 65 P CB 0.145 31.837 31.700 -0.013 0.000 0.782 66 E N -0.389 119.796 120.200 -0.025 0.000 2.230 66 E HA 0.079 4.429 4.350 0.000 0.000 0.192 66 E C 0.972 177.558 176.600 -0.024 0.000 0.987 66 E CA 0.603 56.985 56.400 -0.030 0.000 0.841 66 E CB -0.422 29.253 29.700 -0.042 0.000 0.783 66 E HN 0.134 nan 8.360 nan 0.000 0.481 67 A N 2.620 125.427 122.820 -0.021 0.000 3.159 67 A HA 0.362 4.682 4.320 0.000 0.000 0.330 67 A C -1.916 175.652 177.584 -0.026 0.000 1.032 67 A CA -1.197 50.838 52.037 -0.003 0.000 0.841 67 A CB 0.771 19.772 19.000 0.003 0.000 1.093 67 A HN -0.121 nan 8.150 nan 0.000 0.478 68 P HA -0.091 nan 4.420 nan 0.000 0.220 68 P C -0.235 176.810 177.300 -0.426 0.000 1.148 68 P CA 1.393 64.356 63.100 -0.227 0.000 0.803 68 P CB 0.030 31.589 31.700 -0.235 0.000 0.782 69 Y N -1.854 118.433 120.300 -0.023 0.000 2.536 69 Y HA 0.326 4.876 4.550 0.000 0.000 0.347 69 Y C -1.374 174.513 175.900 -0.021 0.000 1.000 69 Y CA -2.605 55.475 58.100 -0.034 0.000 1.051 69 Y CB 0.961 39.361 38.460 -0.100 0.000 1.259 69 Y HN -0.331 nan 8.280 nan 0.000 0.468 70 P HA -0.207 nan 4.420 nan 0.000 0.216 70 P C 1.421 178.802 177.300 0.134 0.000 1.157 70 P CA 2.342 65.524 63.100 0.137 0.000 0.880 70 P CB -0.060 31.733 31.700 0.156 0.000 0.791 71 G N -1.013 107.822 108.800 0.058 0.000 2.559 71 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 71 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 71 G C 1.667 176.587 174.900 0.034 0.000 1.126 71 G CA 0.520 45.601 45.100 -0.030 0.000 0.778 71 G HN 0.214 nan 8.290 nan 0.000 0.543 72 S N 0.258 115.999 115.700 0.069 0.000 2.356 72 S HA -0.032 4.439 4.470 0.000 0.000 0.223 72 S C 2.282 176.971 174.600 0.149 0.000 1.032 72 S CA 0.740 59.010 58.200 0.116 0.000 1.005 72 S CB -0.189 63.072 63.200 0.101 0.000 0.867 72 S HN 0.366 nan 8.310 nan 0.000 0.449 73 L N 0.882 122.176 121.223 0.118 0.000 2.083 73 L HA -0.114 4.227 4.340 0.000 0.000 0.209 73 L C 2.546 179.481 176.870 0.109 0.000 1.083 73 L CA 1.005 55.897 54.840 0.086 0.000 0.752 73 L CB -0.520 41.579 42.059 0.066 0.000 0.899 73 L HN 0.333 nan 8.230 nan 0.000 0.433 74 M N -1.445 118.271 119.600 0.194 0.000 2.065 74 M HA -0.286 4.194 4.480 0.000 0.000 0.259 74 M C 2.493 178.921 176.300 0.213 0.000 1.069 74 M CA 2.103 57.540 55.300 0.229 0.000 1.110 74 M CB -0.592 32.224 32.600 0.360 0.000 1.328 74 M HN 0.209 nan 8.290 nan 0.000 0.405 75 Y N 0.995 121.391 120.300 0.159 0.000 2.200 75 Y HA -0.234 4.316 4.550 0.000 0.000 0.290 75 Y C 2.328 178.244 175.900 0.027 0.000 1.137 75 Y CA 1.772 59.943 58.100 0.118 0.000 1.163 75 Y CB -0.379 38.166 38.460 0.142 0.000 0.988 75 Y HN 0.273 nan 8.280 nan 0.000 0.518 76 Q N -0.178 119.583 119.800 -0.064 0.000 2.083 76 Q HA -0.175 4.165 4.340 0.000 0.000 0.198 76 Q C 2.099 177.948 176.000 -0.251 0.000 0.969 76 Q CA 1.688 57.380 55.803 -0.186 0.000 0.838 76 Q CB -0.096 28.602 28.738 -0.067 0.000 0.900 76 Q HN 0.600 nan 8.270 nan 0.000 0.436 77 E N 0.247 120.326 120.200 -0.202 0.000 2.204 77 E HA -0.160 4.191 4.350 0.000 0.000 0.194 77 E C 2.117 178.406 176.600 -0.520 0.000 0.989 77 E CA 1.164 57.348 56.400 -0.360 0.000 0.824 77 E CB -0.008 29.548 29.700 -0.241 0.000 0.756 77 E HN 0.293 nan 8.360 nan 0.000 0.477 78 S N 0.696 116.240 115.700 -0.260 0.000 2.399 78 S HA -0.173 4.298 4.470 0.000 0.000 0.231 78 S C 2.041 176.558 174.600 -0.137 0.000 1.022 78 S CA 0.922 59.049 58.200 -0.122 0.000 0.983 78 S CB -0.192 62.979 63.200 -0.048 0.000 0.803 78 S HN 0.168 nan 8.310 nan 0.000 0.480 79 M N 0.297 119.721 119.600 -0.292 0.000 2.156 79 M HA 0.082 4.562 4.480 0.000 0.000 0.264 79 M C 2.300 178.535 176.300 -0.109 0.000 1.067 79 M CA 1.109 56.282 55.300 -0.212 0.000 1.131 79 M CB -0.609 31.784 32.600 -0.345 0.000 1.368 79 M HN 0.402 nan 8.290 nan 0.000 0.416 80 L N 0.396 121.497 121.223 -0.203 0.000 1.990 80 L HA -0.246 4.094 4.340 0.000 0.000 0.213 80 L C 2.204 179.073 176.870 -0.003 0.000 1.072 80 L CA 2.182 56.925 54.840 -0.162 0.000 0.755 80 L CB -0.814 41.071 42.059 -0.289 0.000 0.889 80 L HN 0.308 nan 8.230 nan 0.000 0.432 81 H N -1.537 117.564 119.070 0.052 0.000 2.352 81 H HA -0.137 4.419 4.556 0.000 0.000 0.299 81 H C 2.262 177.663 175.328 0.122 0.000 1.097 81 H CA 1.160 57.251 56.048 0.071 0.000 1.311 81 H CB -0.182 29.675 29.762 0.158 0.000 1.377 81 H HN 0.391 nan 8.280 nan 0.000 0.504 82 S N 0.446 116.385 115.700 0.400 0.000 2.368 82 S HA -0.168 4.302 4.470 0.000 0.000 0.225 82 S C 2.468 177.313 174.600 0.408 0.000 1.030 82 S CA 0.817 59.284 58.200 0.445 0.000 0.999 82 S CB -0.243 63.158 63.200 0.335 0.000 0.844 82 S HN 0.555 nan 8.310 nan 0.000 0.459 83 A N 1.392 124.429 122.820 0.361 0.000 1.898 83 A HA -0.077 4.243 4.320 0.000 0.000 0.216 83 A C 2.379 180.280 177.584 0.529 0.000 1.181 83 A CA 1.969 54.293 52.037 0.477 0.000 0.620 83 A CB -0.933 18.346 19.000 0.465 0.000 0.819 83 A HN 0.618 nan 8.150 nan 0.000 0.442 84 T N -4.552 110.225 114.554 0.372 0.000 3.015 84 T HA 0.214 4.564 4.350 0.000 0.000 0.250 84 T C 1.426 176.292 174.700 0.278 0.000 1.057 84 T CA 0.939 63.277 62.100 0.396 0.000 1.066 84 T CB 0.282 69.243 68.868 0.156 0.000 0.959 84 T HN 0.026 nan 8.240 nan 0.000 0.488 85 V N 1.851 121.843 119.914 0.130 0.000 2.581 85 V HA 0.170 4.290 4.120 0.000 0.000 0.240 85 V C -0.707 175.250 176.094 -0.228 0.000 1.054 85 V CA 0.218 62.468 62.300 -0.083 0.000 1.076 85 V CB -0.600 31.170 31.823 -0.087 0.000 0.748 85 V HN 0.259 nan 8.190 nan 0.000 0.474 86 P HA -0.122 nan 4.420 nan 0.000 0.216 86 P C 1.573 178.757 177.300 -0.192 0.000 1.150 86 P CA 1.855 64.941 63.100 -0.023 0.000 0.837 86 P CB -0.239 31.599 31.700 0.229 0.000 0.786 87 G N -0.986 107.471 108.800 -0.572 0.000 2.679 87 G HA2 -0.097 3.863 3.960 0.000 0.000 0.212 87 G HA3 -0.097 3.863 3.960 0.000 0.000 0.212 87 G C 1.296 175.924 174.900 -0.454 0.000 1.137 87 G CA 0.147 44.779 45.100 -0.781 0.000 0.787 87 G HN 0.246 nan 8.290 nan 0.000 0.534 88 V N 0.338 119.872 119.914 -0.634 0.000 3.621 88 V HA 0.250 4.370 4.120 0.000 0.000 0.285 88 V C 2.166 178.049 176.094 -0.352 0.000 1.346 88 V CA 0.209 62.156 62.300 -0.589 0.000 1.104 88 V CB 0.150 31.425 31.823 -0.914 0.000 0.913 88 V HN 0.361 nan 8.190 nan 0.000 0.432 89 L N -0.019 121.049 121.223 -0.258 0.000 2.478 89 L HA 0.120 4.460 4.340 0.000 0.000 0.223 89 L C 2.410 179.328 176.870 0.080 0.000 1.140 89 L CA 1.098 55.892 54.840 -0.078 0.000 0.842 89 L CB -0.681 41.351 42.059 -0.045 0.000 0.953 89 L HN 0.434 nan 8.230 nan 0.000 0.452 90 G N -0.346 108.480 108.800 0.044 0.000 2.509 90 G HA2 0.170 4.131 3.960 0.000 0.000 0.218 90 G HA3 0.170 4.131 3.960 0.000 0.000 0.218 90 G C 0.616 175.543 174.900 0.045 0.000 1.124 90 G CA 0.909 46.042 45.100 0.056 0.000 0.776 90 G HN 0.508 nan 8.290 nan 0.000 0.547 91 S N -1.813 113.921 115.700 0.057 0.000 2.643 91 S HA 0.560 5.030 4.470 0.000 0.000 0.266 91 S C 0.686 175.269 174.600 -0.029 0.000 1.130 91 S CA -0.438 57.762 58.200 0.001 0.000 0.817 91 S CB 0.234 nan 63.200 nan 0.000 1.107 91 S HN -0.019 nan 8.310 nan 0.000 0.471 92 R N -0.043 120.405 120.500 -0.087 0.000 2.189 92 R HA 0.008 4.348 4.340 0.000 0.000 0.223 92 R C -0.216 176.140 176.300 0.094 0.000 1.092 92 R CA 1.295 57.338 56.100 -0.096 0.000 0.989 92 R CB 0.060 30.301 30.300 -0.097 0.000 0.876 92 R HN 0.654 nan 8.270 nan 0.000 0.457 93 D N -0.772 119.662 120.400 0.057 0.000 2.433 93 D HA 0.143 4.784 4.640 0.000 0.000 0.211 93 D C 1.228 177.479 176.300 -0.083 0.000 1.114 93 D CA 0.107 54.092 54.000 -0.026 0.000 0.837 93 D CB 0.717 41.470 40.800 -0.078 0.000 0.984 93 D HN 0.084 nan 8.370 nan 0.000 0.505 94 A N 1.698 124.553 122.820 0.059 0.000 1.948 94 A HA -0.173 4.148 4.320 0.000 0.000 0.220 94 A C 2.046 179.714 177.584 0.141 0.000 1.177 94 A CA 1.082 53.169 52.037 0.084 0.000 0.636 94 A CB -1.215 17.839 19.000 0.090 0.000 0.815 94 A HN 0.564 nan 8.150 nan 0.000 0.449 95 W N 0.465 121.813 121.300 0.079 0.000 2.387 95 W HA -0.162 4.498 4.660 0.000 0.000 0.272 95 W C 1.602 178.241 176.519 0.199 0.000 1.224 95 W CA 0.936 58.373 57.345 0.154 0.000 1.210 95 W CB -0.684 28.828 29.460 0.087 0.000 1.125 95 W HN 0.306 nan 8.180 nan 0.000 0.572 96 R N 0.835 120.925 120.500 -0.683 0.000 2.062 96 R HA -0.108 4.232 4.340 0.000 0.000 0.231 96 R C 2.535 178.698 176.300 -0.228 0.000 1.136 96 R CA 2.859 58.515 56.100 -0.739 0.000 0.948 96 R CB -0.805 29.047 30.300 -0.746 0.000 0.845 96 R HN 0.294 nan 8.270 nan 0.000 0.430 97 T N -2.778 111.722 114.554 -0.090 0.000 3.023 97 T HA 0.100 4.450 4.350 0.000 0.000 0.253 97 T C 0.387 175.135 174.700 0.082 0.000 1.038 97 T CA -0.549 61.547 62.100 -0.007 0.000 0.962 97 T CB -0.093 68.759 68.868 -0.027 0.000 1.018 97 T HN 0.069 nan 8.240 nan 0.000 0.521 98 F N 4.623 124.593 119.950 0.033 0.000 2.593 98 F HA 0.279 4.807 4.527 0.000 0.000 0.393 98 F C 0.159 176.000 175.800 0.069 0.000 1.037 98 F CA -0.350 57.697 58.000 0.078 0.000 1.195 98 F CB -0.002 39.090 39.000 0.152 0.000 1.034 98 F HN 0.511 nan 8.300 nan 0.000 0.552 99 N N 4.475 122.789 118.700 -0.644 0.000 2.264 99 N HA 0.632 5.372 4.740 0.000 0.000 0.288 99 N C -2.091 172.976 175.510 -0.737 0.000 1.094 99 N CA -1.016 51.692 53.050 -0.570 0.000 0.817 99 N CB 2.309 40.653 38.487 -0.239 0.000 1.604 99 N HN 0.493 nan 8.380 nan 0.000 0.473 100 V N 2.541 122.145 119.914 -0.517 0.000 2.851 100 V HA 0.494 4.614 4.120 0.000 0.000 0.307 100 V C -0.977 175.027 176.094 -0.149 0.000 1.129 100 V CA -0.622 61.460 62.300 -0.362 0.000 0.932 100 V CB 0.515 32.243 31.823 -0.158 0.000 1.024 100 V HN 0.805 nan 8.190 nan 0.000 0.426 101 F N 4.501 124.381 119.950 -0.117 0.000 3.079 101 F HA -0.167 4.360 4.527 0.000 0.000 0.274 101 F C 1.604 177.342 175.800 -0.102 0.000 0.940 101 F CA 1.651 59.590 58.000 -0.101 0.000 0.932 101 F CB -1.515 37.429 39.000 -0.094 0.000 0.891 101 F HN 1.346 nan 8.300 nan 0.000 0.722 102 G N -0.130 108.656 108.800 -0.022 0.000 2.225 102 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 102 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 102 G C -0.069 174.811 174.900 -0.034 0.000 1.024 102 G CA 0.328 45.408 45.100 -0.033 0.000 0.784 102 G HN 0.583 nan 8.290 nan 0.000 0.507 103 L N -0.472 120.719 121.223 -0.054 0.000 2.341 103 L HA 0.841 5.181 4.340 0.000 0.000 0.267 103 L C 0.162 176.978 176.870 -0.091 0.000 1.009 103 L CA -0.916 53.877 54.840 -0.078 0.000 0.819 103 L CB 2.431 44.427 42.059 -0.105 0.000 1.323 103 L HN 0.132 nan 8.230 nan 0.000 0.425 104 S N -0.619 115.044 115.700 -0.062 0.000 2.564 104 S HA 0.486 4.956 4.470 0.000 0.000 0.274 104 S C -1.508 173.116 174.600 0.040 0.000 1.124 104 S CA -0.713 57.522 58.200 0.058 0.000 0.869 104 S CB 1.403 64.682 63.200 0.132 0.000 1.105 104 S HN 0.372 nan 8.310 nan 0.000 0.472 105 W N 1.454 122.936 121.300 0.303 0.000 2.170 105 W HA 0.219 4.879 4.660 0.000 0.000 0.336 105 W C 1.863 178.554 176.519 0.287 0.000 1.283 105 W CA -0.111 57.378 57.345 0.240 0.000 1.224 105 W CB 0.420 30.003 29.460 0.206 0.000 1.132 105 W HN 0.856 nan 8.180 nan 0.000 0.571 106 T N -2.206 112.596 114.554 0.413 0.000 3.088 106 T HA 0.028 4.378 4.350 0.000 0.000 0.259 106 T C -0.238 174.454 174.700 -0.013 0.000 1.122 106 T CA 0.875 63.130 62.100 0.258 0.000 1.095 106 T CB -0.331 68.627 68.868 0.150 0.000 0.930 106 T HN 0.505 nan 8.240 nan 0.000 0.508 107 D N -1.435 118.708 120.400 -0.430 0.000 2.764 107 D HA 0.137 4.777 4.640 0.000 0.000 0.293 107 D C 0.414 175.795 176.300 -1.531 0.000 1.287 107 D CA -0.783 52.275 54.000 -1.570 0.000 0.768 107 D CB 0.503 40.847 40.800 -0.760 0.000 1.288 107 D HN -0.041 nan 8.370 nan 0.000 0.426 108 E N -0.269 118.904 120.200 -1.712 0.000 2.150 108 E HA -0.031 4.320 4.350 0.000 0.000 0.193 108 E C 1.818 178.153 176.600 -0.440 0.000 0.985 108 E CA 1.067 56.929 56.400 -0.898 0.000 0.814 108 E CB -0.533 28.893 29.700 -0.458 0.000 0.752 108 E HN 0.582 nan 8.360 nan 0.000 0.466 109 G N 0.937 109.499 108.800 -0.397 0.000 2.708 109 G HA2 -0.118 3.842 3.960 0.000 0.000 0.210 109 G HA3 -0.118 3.842 3.960 0.000 0.000 0.210 109 G C 0.846 175.626 174.900 -0.199 0.000 1.141 109 G CA 0.170 45.135 45.100 -0.224 0.000 0.788 109 G HN 0.395 nan 8.290 nan 0.000 0.531 110 L N 0.023 121.042 121.223 -0.340 0.000 3.737 110 L HA -0.242 4.098 4.340 0.000 0.000 0.418 110 L C 1.955 178.942 176.870 0.195 0.000 1.216 110 L CA 0.224 54.783 54.840 -0.468 0.000 0.915 110 L CB -2.222 39.277 42.059 -0.933 0.000 1.834 110 L HN 0.323 nan 8.230 nan 0.000 0.943 111 S N -0.823 115.004 115.700 0.211 0.000 2.406 111 S HA 0.147 4.617 4.470 0.000 0.000 0.228 111 S C 0.917 175.749 174.600 0.387 0.000 1.020 111 S CA 1.206 59.576 58.200 0.284 0.000 0.965 111 S CB 0.197 63.463 63.200 0.109 0.000 0.798 111 S HN 0.753 nan 8.310 nan 0.000 0.488 112 G N -0.231 108.828 108.800 0.431 0.000 2.698 112 G HA2 0.577 4.538 3.960 0.000 0.000 0.293 112 G HA3 0.577 4.538 3.960 0.000 0.000 0.293 112 G C -1.992 173.032 174.900 0.206 0.000 1.437 112 G CA -0.754 44.507 45.100 0.268 0.000 0.852 112 G HN 0.210 nan 8.290 nan 0.000 0.499 113 L N 1.196 122.403 121.223 -0.026 0.000 2.325 113 L HA 0.742 5.082 4.340 0.000 0.000 0.281 113 L C 0.254 177.072 176.870 -0.086 0.000 1.004 113 L CA -0.997 53.730 54.840 -0.189 0.000 0.823 113 L CB 1.817 43.629 42.059 -0.411 0.000 1.236 113 L HN 0.610 nan 8.230 nan 0.000 0.415 114 V N 0.294 120.180 119.914 -0.046 0.000 3.156 114 V HA 0.887 5.007 4.120 0.000 0.000 0.311 114 V C 0.149 176.232 176.094 -0.018 0.000 1.208 114 V CA -1.037 61.256 62.300 -0.011 0.000 1.063 114 V CB 1.614 33.459 31.823 0.036 0.000 1.098 114 V HN 0.737 nan 8.190 nan 0.000 0.452 115 A N 0.577 123.393 122.820 -0.007 0.000 2.483 115 A HA 0.739 5.059 4.320 0.000 0.000 0.238 115 A C 0.605 178.189 177.584 0.001 0.000 1.070 115 A CA 0.348 52.379 52.037 -0.010 0.000 0.770 115 A CB -0.196 18.801 19.000 -0.006 0.000 1.008 115 A HN 2.241 nan 8.150 nan 0.000 0.497 116 A N 1.448 124.261 122.820 -0.013 0.000 2.302 116 A HA 0.481 4.801 4.320 0.000 0.000 0.285 116 A C 0.344 177.922 177.584 -0.011 0.000 1.105 116 A CA -0.467 51.563 52.037 -0.012 0.000 0.816 116 A CB 0.139 19.112 19.000 -0.044 0.000 1.067 116 A HN 0.874 nan 8.150 nan 0.000 0.489 117 Q N 1.245 121.041 119.800 -0.007 0.000 2.247 117 Q HA 0.070 4.410 4.340 0.000 0.000 0.288 117 Q C -0.558 175.428 176.000 -0.023 0.000 1.079 117 Q CA 0.466 56.262 55.803 -0.012 0.000 0.932 117 Q CB 0.390 29.121 28.738 -0.011 0.000 1.133 117 Q HN 0.742 nan 8.270 nan 0.000 0.377 118 D N 4.603 124.991 120.400 -0.021 0.000 2.308 118 D HA 0.389 5.029 4.640 0.000 0.000 0.242 118 D C -2.265 174.022 176.300 -0.021 0.000 1.059 118 D CA -1.705 52.280 54.000 -0.026 0.000 0.830 118 D CB 1.390 42.174 40.800 -0.026 0.000 1.161 118 D HN 0.194 nan 8.370 nan 0.000 0.494 119 P HA 0.328 nan 4.420 nan 0.000 0.274 119 P C -2.579 174.701 177.300 -0.033 0.000 1.231 119 P CA -1.076 62.006 63.100 -0.030 0.000 0.790 119 P CB 0.048 31.732 31.700 -0.028 0.000 0.951 120 P HA 0.228 nan 4.420 nan 0.000 0.285 120 P C -2.103 175.174 177.300 -0.039 0.000 1.259 120 P CA -1.700 61.373 63.100 -0.046 0.000 0.794 120 P CB 0.139 31.799 31.700 -0.067 0.000 0.940 121 P HA 0.042 nan 4.420 nan 0.000 0.231 121 P C -0.072 177.209 177.300 -0.032 0.000 1.158 121 P CA 1.129 64.210 63.100 -0.032 0.000 0.763 121 P CB 0.135 31.816 31.700 -0.032 0.000 0.805 122 A N -0.732 122.066 122.820 -0.037 0.000 2.475 122 A HA 0.710 5.030 4.320 0.000 0.000 0.301 122 A C -0.467 177.088 177.584 -0.047 0.000 1.059 122 A CA -0.643 51.375 52.037 -0.032 0.000 0.710 122 A CB 1.184 20.173 19.000 -0.017 0.000 1.288 122 A HN 0.058 nan 8.150 nan 0.000 0.408 123 A N 2.498 125.295 122.820 -0.038 0.000 2.565 123 A HA 0.504 4.824 4.320 0.000 0.000 0.237 123 A C -2.277 175.260 177.584 -0.079 0.000 1.053 123 A CA -0.428 51.578 52.037 -0.053 0.000 0.755 123 A CB -0.869 18.110 19.000 -0.035 0.000 0.980 123 A HN 0.530 nan 8.150 nan 0.000 0.506 124 P HA 0.063 nan 4.420 nan 0.000 0.268 124 P C -0.445 176.755 177.300 -0.166 0.000 1.204 124 P CA 0.164 63.151 63.100 -0.187 0.000 0.768 124 P CB 0.162 31.732 31.700 -0.217 0.000 0.842 125 Y N 3.423 123.519 120.300 -0.341 0.000 2.610 125 Y HA -0.006 4.545 4.550 0.000 0.000 0.332 125 Y C 0.350 176.129 175.900 -0.202 0.000 1.201 125 Y CA 0.299 58.265 58.100 -0.224 0.000 1.465 125 Y CB 0.272 38.581 38.460 -0.253 0.000 1.283 125 Y HN 0.354 nan 8.280 nan 0.000 0.563 126 Q N 7.550 126.878 119.800 -0.787 0.000 2.372 126 Q HA 0.415 4.755 4.340 0.000 0.000 0.259 126 Q C -2.636 172.808 176.000 -0.927 0.000 0.993 126 Q CA -2.336 53.065 55.803 -0.670 0.000 0.854 126 Q CB 1.074 29.610 28.738 -0.337 0.000 1.231 126 Q HN 0.483 nan 8.270 nan 0.000 0.462 127 P HA 0.016 nan 4.420 nan 0.000 0.265 127 P C -0.994 176.424 177.300 0.197 0.000 1.193 127 P CA 0.208 63.274 63.100 -0.057 0.000 0.765 127 P CB 0.662 32.481 31.700 0.199 0.000 0.823 128 A N 2.545 125.496 122.820 0.219 0.000 2.303 128 A HA 0.499 4.819 4.320 0.000 0.000 0.317 128 A C 0.238 177.790 177.584 -0.054 0.000 1.149 128 A CA -0.395 51.717 52.037 0.125 0.000 0.822 128 A CB 0.591 19.633 19.000 0.070 0.000 1.131 128 A HN 0.423 nan 8.150 nan 0.000 0.493 129 S N 1.201 116.583 115.700 -0.530 0.000 2.499 129 S HA 0.449 4.919 4.470 0.000 0.000 0.275 129 S C 0.725 174.999 174.600 -0.544 0.000 1.257 129 S CA 0.476 58.091 58.200 -0.975 0.000 1.050 129 S CB -0.148 62.269 63.200 -1.306 0.000 0.937 129 S HN 2.391 nan 8.310 nan 0.000 0.490 130 A N 3.337 125.784 122.820 -0.622 0.000 2.519 130 A HA -0.179 4.141 4.320 0.000 0.000 0.297 130 A C 0.109 177.247 177.584 -0.744 0.000 1.472 130 A CA 1.250 52.751 52.037 -0.894 0.000 0.739 130 A CB -1.964 16.798 19.000 -0.397 0.000 1.096 130 A HN 0.846 nan 8.150 nan 0.000 0.414 131 Q N -1.560 117.799 119.800 -0.736 0.000 2.433 131 Q HA 0.674 5.014 4.340 0.000 0.000 0.279 131 Q C -0.767 175.091 176.000 -0.235 0.000 1.105 131 Q CA -0.686 54.954 55.803 -0.272 0.000 0.815 131 Q CB 1.292 29.992 28.738 -0.064 0.000 1.403 131 Q HN 0.613 nan 8.270 nan 0.000 0.435 132 W N 0.835 122.226 121.300 0.153 0.000 2.438 132 W HA 0.577 5.237 4.660 0.000 0.000 0.324 132 W C -0.439 176.200 176.519 0.200 0.000 1.119 132 W CA -0.288 57.174 57.345 0.194 0.000 1.221 132 W CB 1.884 31.446 29.460 0.169 0.000 1.253 132 W HN 0.402 nan 8.180 nan 0.000 0.555 133 S N 1.567 117.595 115.700 0.547 0.000 2.542 133 S HA 0.162 4.633 4.470 0.000 0.000 0.293 133 S C -1.404 173.447 174.600 0.418 0.000 1.089 133 S CA -0.819 57.639 58.200 0.430 0.000 0.961 133 S CB 1.748 65.197 63.200 0.414 0.000 1.062 133 S HN 0.391 nan 8.310 nan 0.000 0.483 134 D N 1.894 122.474 120.400 0.299 0.000 2.396 134 D HA 0.266 4.906 4.640 0.000 0.000 0.225 134 D C 0.749 177.202 176.300 0.255 0.000 1.121 134 D CA -0.466 53.686 54.000 0.253 0.000 0.853 134 D CB 0.540 41.444 40.800 0.174 0.000 1.043 134 D HN 0.432 nan 8.370 nan 0.000 0.500 135 L N 3.362 124.766 121.223 0.301 0.000 2.465 135 L HA -0.017 4.323 4.340 0.000 0.000 0.224 135 L C 2.077 179.149 176.870 0.338 0.000 1.145 135 L CA 0.329 55.378 54.840 0.349 0.000 0.834 135 L CB -0.058 42.211 42.059 0.351 0.000 0.944 135 L HN 0.434 nan 8.230 nan 0.000 0.451 136 L N -0.093 121.255 121.223 0.208 0.000 2.552 136 L HA -0.060 4.280 4.340 0.000 0.000 0.227 136 L C 1.702 178.648 176.870 0.126 0.000 1.146 136 L CA 0.138 55.062 54.840 0.141 0.000 0.858 136 L CB -0.421 41.693 42.059 0.091 0.000 0.969 136 L HN 0.353 nan 8.230 nan 0.000 0.451 137 N N -0.491 118.296 118.700 0.144 0.000 2.453 137 N HA -0.163 4.577 4.740 0.000 0.000 0.183 137 N C 0.315 175.885 175.510 0.100 0.000 1.041 137 N CA 0.582 53.695 53.050 0.105 0.000 0.900 137 N CB -0.107 38.447 38.487 0.111 0.000 0.961 137 N HN 0.194 nan 8.380 nan 0.000 0.443 138 Y N 2.304 122.575 120.300 -0.048 0.000 2.486 138 Y HA 0.197 4.747 4.550 0.000 0.000 0.348 138 Y C -1.553 174.243 175.900 -0.172 0.000 1.000 138 Y CA -2.607 55.367 58.100 -0.209 0.000 1.253 138 Y CB 1.020 39.181 38.460 -0.498 0.000 1.140 138 Y HN -0.011 nan 8.280 nan 0.000 0.526 139 P HA -0.229 nan 4.420 nan 0.000 0.216 139 P C 1.457 178.527 177.300 -0.383 0.000 1.150 139 P CA 1.864 64.748 63.100 -0.359 0.000 0.843 139 P CB 0.163 31.661 31.700 -0.337 0.000 0.787 140 R N -1.389 118.704 120.500 -0.678 0.000 2.115 140 R HA -0.119 4.221 4.340 0.000 0.000 0.230 140 R C 1.778 178.003 176.300 -0.124 0.000 1.111 140 R CA 1.271 57.108 56.100 -0.437 0.000 0.976 140 R CB -0.473 29.489 30.300 -0.563 0.000 0.870 140 R HN 0.169 nan 8.270 nan 0.000 0.445 141 W N 0.215 121.397 121.300 -0.197 0.000 2.476 141 W HA 0.159 4.819 4.660 0.000 0.000 0.281 141 W C 2.232 178.633 176.519 -0.198 0.000 1.230 141 W CA 0.534 57.781 57.345 -0.162 0.000 1.287 141 W CB -0.880 28.520 29.460 -0.100 0.000 1.108 141 W HN 0.247 nan 8.180 nan 0.000 0.567 142 A N 0.826 123.672 122.820 0.043 0.000 1.933 142 A HA -0.223 4.097 4.320 0.000 0.000 0.218 142 A C 1.789 179.344 177.584 -0.049 0.000 1.175 142 A CA 2.009 54.032 52.037 -0.024 0.000 0.628 142 A CB -0.981 18.002 19.000 -0.028 0.000 0.814 142 A HN 0.462 nan 8.150 nan 0.000 0.444 143 N N -1.217 117.447 118.700 -0.061 0.000 2.368 143 N HA 0.039 4.779 4.740 0.000 0.000 0.176 143 N C 0.379 175.854 175.510 -0.058 0.000 1.021 143 N CA 0.328 53.340 53.050 -0.064 0.000 0.888 143 N CB 0.130 38.570 38.487 -0.079 0.000 0.995 143 N HN 0.266 nan 8.380 nan 0.000 0.437 144 R N 1.047 121.519 120.500 -0.047 0.000 2.860 144 R HA 0.246 4.586 4.340 0.000 0.000 0.282 144 R C 0.422 176.687 176.300 -0.059 0.000 1.408 144 R CA -0.210 55.862 56.100 -0.046 0.000 1.636 144 R CB 0.773 31.052 30.300 -0.035 0.000 1.187 144 R HN 0.131 nan 8.270 nan 0.000 0.611 145 R N 1.116 121.554 120.500 -0.103 0.000 2.127 145 R HA -0.111 4.229 4.340 0.000 0.000 0.238 145 R C 1.812 177.971 176.300 -0.235 0.000 1.134 145 R CA 1.556 57.539 56.100 -0.195 0.000 0.975 145 R CB 0.053 30.246 30.300 -0.178 0.000 0.865 145 R HN 0.251 nan 8.270 nan 0.000 0.447 146 R N 0.209 120.616 120.500 -0.155 0.000 2.193 146 R HA -0.108 4.232 4.340 0.000 0.000 0.229 146 R C 1.481 177.669 176.300 -0.187 0.000 1.110 146 R CA 1.630 57.643 56.100 -0.144 0.000 0.988 146 R CB 0.051 30.294 30.300 -0.094 0.000 0.871 146 R HN 0.431 nan 8.270 nan 0.000 0.458 147 E N -0.234 119.848 120.200 -0.195 0.000 2.216 147 E HA -0.155 4.195 4.350 0.000 0.000 0.192 147 E C 1.607 177.889 176.600 -0.530 0.000 0.988 147 E CA 0.487 56.749 56.400 -0.231 0.000 0.834 147 E CB 0.136 29.811 29.700 -0.042 0.000 0.772 147 E HN 0.153 nan 8.360 nan 0.000 0.479 148 L N 1.001 121.792 121.223 -0.720 0.000 2.127 148 L HA -0.087 4.253 4.340 0.000 0.000 0.203 148 L C 1.991 178.491 176.870 -0.618 0.000 1.080 148 L CA 1.641 55.820 54.840 -1.102 0.000 0.768 148 L CB -0.180 41.160 42.059 -1.198 0.000 0.924 148 L HN -0.044 nan 8.230 nan 0.000 0.444 149 Q N -1.144 118.414 119.800 -0.403 0.000 2.124 149 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 149 Q C 2.372 178.308 176.000 -0.106 0.000 0.977 149 Q CA 1.653 57.372 55.803 -0.140 0.000 0.850 149 Q CB -0.285 28.407 28.738 -0.078 0.000 0.901 149 Q HN 0.592 nan 8.270 nan 0.000 0.429 150 S N 0.460 116.046 115.700 -0.191 0.000 2.399 150 S HA -0.147 4.323 4.470 0.000 0.000 0.231 150 S C 1.610 176.092 174.600 -0.196 0.000 1.022 150 S CA 1.251 59.350 58.200 -0.167 0.000 0.983 150 S CB 0.106 63.193 63.200 -0.188 0.000 0.803 150 S HN 0.243 nan 8.310 nan 0.000 0.480 151 K N -1.292 118.899 120.400 -0.349 0.000 2.334 151 K HA 0.121 4.441 4.320 0.000 0.000 0.195 151 K C 1.642 178.113 176.600 -0.214 0.000 1.045 151 K CA 0.295 56.321 56.287 -0.434 0.000 1.004 151 K CB -0.179 31.704 32.500 -1.028 0.000 0.837 151 K HN 0.364 nan 8.250 nan 0.000 0.510 152 Y N 2.370 122.507 120.300 -0.272 0.000 2.224 152 Y HA -0.116 4.434 4.550 0.000 0.000 0.289 152 Y C -1.197 174.702 175.900 -0.001 0.000 1.146 152 Y CA 0.848 58.883 58.100 -0.109 0.000 1.182 152 Y CB -0.731 37.735 38.460 0.010 0.000 0.983 152 Y HN 0.013 nan 8.280 nan 0.000 0.524 153 P HA -0.207 nan 4.420 nan 0.000 0.216 153 P C 1.790 179.053 177.300 -0.062 0.000 1.150 153 P CA 1.327 64.385 63.100 -0.070 0.000 0.837 153 P CB -0.087 31.604 31.700 -0.015 0.000 0.786 154 L N -1.058 120.160 121.223 -0.007 0.000 2.056 154 L HA -0.106 4.234 4.340 0.000 0.000 0.207 154 L C 2.164 179.061 176.870 0.044 0.000 1.078 154 L CA 1.786 56.677 54.840 0.085 0.000 0.749 154 L CB -1.417 40.755 42.059 0.188 0.000 0.901 154 L HN -0.090 nan 8.230 nan 0.000 0.433 155 L N -1.681 119.484 121.223 -0.096 0.000 2.109 155 L HA -0.153 4.187 4.340 0.000 0.000 0.207 155 L C 2.366 179.234 176.870 -0.003 0.000 1.086 155 L CA 0.435 55.257 54.840 -0.030 0.000 0.760 155 L CB -0.508 41.533 42.059 -0.030 0.000 0.910 155 L HN 0.294 nan 8.230 nan 0.000 0.437 156 L N 0.935 121.936 121.223 -0.371 0.000 2.046 156 L HA -0.191 4.149 4.340 0.000 0.000 0.208 156 L C 2.787 179.652 176.870 -0.008 0.000 1.077 156 L CA 1.744 56.416 54.840 -0.280 0.000 0.747 156 L CB -0.519 41.264 42.059 -0.460 0.000 0.896 156 L HN 0.260 nan 8.230 nan 0.000 0.432 157 R N -1.592 118.924 120.500 0.025 0.000 2.152 157 R HA -0.058 4.282 4.340 0.000 0.000 0.232 157 R C 1.913 178.293 176.300 0.134 0.000 1.117 157 R CA 1.564 57.720 56.100 0.094 0.000 0.981 157 R CB -0.968 29.389 30.300 0.094 0.000 0.870 157 R HN 0.272 nan 8.270 nan 0.000 0.451 158 S N 0.422 116.242 115.700 0.201 0.000 2.357 158 S HA -0.092 4.379 4.470 0.000 0.000 0.221 158 S C 1.794 176.432 174.600 0.062 0.000 1.031 158 S CA 1.498 59.829 58.200 0.218 0.000 0.982 158 S CB -0.345 63.157 63.200 0.503 0.000 0.853 158 S HN 0.464 nan 8.310 nan 0.000 0.458 159 T N 3.308 117.859 114.554 -0.006 0.000 2.624 159 T HA -0.115 4.235 4.350 0.000 0.000 0.268 159 T C 1.728 176.435 174.700 0.011 0.000 1.041 159 T CA 1.412 63.432 62.100 -0.133 0.000 1.159 159 T CB -0.591 68.236 68.868 -0.069 0.000 0.863 159 T HN 0.256 nan 8.240 nan 0.000 0.434 160 L N -0.066 121.219 121.223 0.104 0.000 2.109 160 L HA 0.019 4.359 4.340 0.000 0.000 0.207 160 L C 2.444 179.330 176.870 0.026 0.000 1.086 160 L CA 0.512 55.422 54.840 0.118 0.000 0.760 160 L CB -0.521 41.635 42.059 0.161 0.000 0.910 160 L HN 0.184 nan 8.230 nan 0.000 0.437 161 L N -0.572 120.674 121.223 0.039 0.000 2.083 161 L HA -0.168 4.172 4.340 0.000 0.000 0.209 161 L C 2.527 179.429 176.870 0.054 0.000 1.083 161 L CA 1.722 56.577 54.840 0.026 0.000 0.752 161 L CB -0.424 41.686 42.059 0.086 0.000 0.899 161 L HN 0.095 nan 8.230 nan 0.000 0.433 162 S N -0.730 115.015 115.700 0.075 0.000 2.414 162 S HA 0.006 4.476 4.470 0.000 0.000 0.227 162 S C 2.044 176.760 174.600 0.193 0.000 1.022 162 S CA 0.799 59.068 58.200 0.116 0.000 0.958 162 S CB -0.325 62.880 63.200 0.009 0.000 0.797 162 S HN 0.607 nan 8.310 nan 0.000 0.493 163 A N 1.424 124.297 122.820 0.089 0.000 1.969 163 A HA 0.119 4.439 4.320 0.000 0.000 0.218 163 A C 1.031 178.542 177.584 -0.122 0.000 1.169 163 A CA 0.888 52.858 52.037 -0.112 0.000 0.635 163 A CB -0.306 18.624 19.000 -0.117 0.000 0.810 163 A HN 0.319 nan 8.150 nan 0.000 0.445 164 M N -0.245 119.288 119.600 -0.111 0.000 2.217 164 M HA 0.163 4.643 4.480 0.000 0.000 0.354 164 M C 1.327 177.581 176.300 -0.076 0.000 1.225 164 M CA -0.004 55.212 55.300 -0.140 0.000 1.137 164 M CB 0.674 33.180 32.600 -0.157 0.000 1.576 164 M HN 0.458 nan 8.290 nan 0.000 0.461 165 R N 1.825 122.277 120.500 -0.080 0.000 2.090 165 R HA 0.026 4.366 4.340 0.000 0.000 0.228 165 R C 0.789 177.066 176.300 -0.038 0.000 1.110 165 R CA 1.566 57.641 56.100 -0.043 0.000 0.973 165 R CB 0.340 30.615 30.300 -0.042 0.000 0.869 165 R HN 0.803 nan 8.270 nan 0.000 0.440 166 A N -0.418 122.352 122.820 -0.083 0.000 3.324 166 A HA 0.568 4.888 4.320 0.000 0.000 0.196 166 A C 0.432 177.881 177.584 -0.226 0.000 1.506 166 A CA 0.008 51.987 52.037 -0.096 0.000 1.687 166 A CB -0.636 18.288 19.000 -0.126 0.000 1.570 166 A HN 0.354 nan 8.150 nan 0.000 0.533 167 G N -0.492 108.028 108.800 -0.468 0.000 2.588 167 G HA2 0.519 4.479 3.960 0.000 0.000 0.281 167 G HA3 0.519 4.479 3.960 0.000 0.000 0.281 167 G C -2.692 171.755 174.900 -0.754 0.000 1.236 167 G CA -1.186 43.174 45.100 -1.233 0.000 0.969 167 G HN 0.428 nan 8.290 nan 0.000 0.504 168 P HA 0.168 nan 4.420 nan 0.000 0.271 168 P C -0.117 177.250 177.300 0.111 0.000 1.218 168 P CA -0.304 62.654 63.100 -0.237 0.000 0.780 168 P CB 1.249 32.855 31.700 -0.158 0.000 0.901 169 V N 4.043 124.012 119.914 0.092 0.000 2.686 169 V HA 0.284 4.404 4.120 0.000 0.000 0.295 169 V C -0.059 176.150 176.094 0.192 0.000 1.057 169 V CA -0.530 61.880 62.300 0.184 0.000 1.012 169 V CB 0.386 32.292 31.823 0.138 0.000 1.006 169 V HN 0.268 nan 8.190 nan 0.000 0.477 170 L N 5.897 127.229 121.223 0.182 0.000 2.334 170 L HA 0.467 4.807 4.340 0.000 0.000 0.273 170 L C -1.045 175.983 176.870 0.263 0.000 1.013 170 L CA -0.813 54.083 54.840 0.093 0.000 0.816 170 L CB 1.675 43.624 42.059 -0.183 0.000 1.278 170 L HN 0.678 nan 8.230 nan 0.000 0.431 171 Y N 2.491 122.882 120.300 0.151 0.000 2.425 171 Y HA 0.454 5.004 4.550 0.000 0.000 0.347 171 Y C -0.656 175.261 175.900 0.028 0.000 0.976 171 Y CA -0.473 57.720 58.100 0.156 0.000 1.190 171 Y CB 0.970 39.597 38.460 0.278 0.000 1.136 171 Y HN 0.217 nan 8.280 nan 0.000 0.517 172 V N 7.036 126.698 119.914 -0.421 0.000 2.304 172 V HA 0.315 4.435 4.120 0.000 0.000 0.278 172 V C -0.606 175.425 176.094 -0.106 0.000 1.018 172 V CA -0.787 61.419 62.300 -0.158 0.000 0.814 172 V CB 1.199 32.937 31.823 -0.142 0.000 1.021 172 V HN 0.746 nan 8.190 nan 0.000 0.440 173 E N 3.103 123.421 120.200 0.198 0.000 2.241 173 E HA 0.617 4.967 4.350 0.000 0.000 0.263 173 E C -0.609 176.254 176.600 0.438 0.000 0.882 173 E CA -0.397 56.203 56.400 0.333 0.000 0.769 173 E CB 2.094 32.076 29.700 0.470 0.000 1.185 173 E HN 0.781 nan 8.360 nan 0.000 0.415 174 T N 0.836 115.557 114.554 0.279 0.000 2.912 174 T HA 0.789 5.139 4.350 0.000 0.000 0.288 174 T C -0.833 174.056 174.700 0.314 0.000 1.030 174 T CA -0.770 61.441 62.100 0.184 0.000 1.020 174 T CB 0.793 69.697 68.868 0.059 0.000 1.056 174 T HN 0.537 nan 8.240 nan 0.000 0.480 175 W N -0.167 121.165 121.300 0.053 0.000 3.118 175 W HA 0.691 5.352 4.660 0.000 0.000 0.328 175 W C -3.417 173.118 176.519 0.027 0.000 1.239 175 W CA -2.811 54.539 57.345 0.007 0.000 1.176 175 W CB -0.248 29.216 29.460 0.007 0.000 1.433 175 W HN 0.534 nan 8.180 nan 0.000 0.562 176 P HA -0.041 nan 4.420 nan 0.000 0.265 176 P C 0.290 177.622 177.300 0.053 0.000 1.187 176 P CA 0.430 63.569 63.100 0.064 0.000 0.766 176 P CB 0.477 32.219 31.700 0.071 0.000 0.820 177 N N 4.157 122.858 118.700 0.002 0.000 2.805 177 N HA -0.260 4.480 4.740 0.000 0.000 0.280 177 N C 0.682 176.164 175.510 -0.047 0.000 0.982 177 N CA 1.026 54.070 53.050 -0.011 0.000 0.846 177 N CB -0.966 37.544 38.487 0.040 0.000 0.932 177 N HN 0.570 nan 8.380 nan 0.000 0.583 178 M N -1.484 117.920 119.600 -0.328 0.000 2.159 178 M HA -0.011 4.469 4.480 0.000 0.000 0.263 178 M C 0.710 176.906 176.300 -0.174 0.000 1.063 178 M CA 1.401 56.304 55.300 -0.663 0.000 1.110 178 M CB -0.095 31.543 32.600 -1.604 0.000 1.374 178 M HN 0.183 nan 8.290 nan 0.000 0.411 179 I N 2.964 123.475 120.570 -0.098 0.000 2.310 179 I HA 0.281 4.451 4.170 0.000 0.000 0.287 179 I C -0.404 175.800 176.117 0.146 0.000 1.073 179 I CA -0.547 60.790 61.300 0.062 0.000 1.216 179 I CB 0.258 38.237 38.000 -0.034 0.000 1.415 179 I HN 0.394 nan 8.210 nan 0.000 0.480 180 S N 3.306 119.118 115.700 0.187 0.000 2.588 180 S HA 0.891 5.361 4.470 0.000 0.000 0.269 180 S C -0.041 174.670 174.600 0.185 0.000 1.157 180 S CA -0.220 58.086 58.200 0.176 0.000 0.824 180 S CB 1.836 65.117 63.200 0.136 0.000 1.126 180 S HN 1.000 nan 8.310 nan 0.000 0.464 181 G N 2.188 111.082 108.800 0.157 0.000 2.547 181 G HA2 -0.275 3.685 3.960 0.000 0.000 0.271 181 G HA3 -0.275 3.685 3.960 0.000 0.000 0.271 181 G C 0.659 175.651 174.900 0.152 0.000 1.209 181 G CA 0.331 45.513 45.100 0.136 0.000 0.959 181 G HN 0.835 nan 8.290 nan 0.000 0.563 182 R N -0.556 120.024 120.500 0.133 0.000 2.117 182 R HA -0.091 4.249 4.340 0.000 0.000 0.243 182 R C 2.697 179.123 176.300 0.210 0.000 1.143 182 R CA 1.819 58.002 56.100 0.139 0.000 0.968 182 R CB -0.766 29.587 30.300 0.088 0.000 0.863 182 R HN 0.461 nan 8.270 nan 0.000 0.444 183 L N 0.907 122.267 121.223 0.229 0.000 2.046 183 L HA -0.087 4.253 4.340 0.000 0.000 0.208 183 L C 2.303 179.456 176.870 0.471 0.000 1.077 183 L CA 1.956 56.998 54.840 0.336 0.000 0.747 183 L CB -0.876 41.382 42.059 0.331 0.000 0.896 183 L HN 0.135 nan 8.230 nan 0.000 0.432 184 A N -0.874 122.167 122.820 0.368 0.000 1.933 184 A HA -0.203 4.117 4.320 0.000 0.000 0.218 184 A C 1.916 179.706 177.584 0.342 0.000 1.175 184 A CA 1.818 54.085 52.037 0.384 0.000 0.628 184 A CB -0.732 18.465 19.000 0.328 0.000 0.814 184 A HN 0.544 nan 8.150 nan 0.000 0.444 185 D N -1.679 118.877 120.400 0.261 0.000 2.178 185 D HA -0.141 4.499 4.640 0.000 0.000 0.202 185 D C 1.515 177.922 176.300 0.179 0.000 0.974 185 D CA 0.966 55.081 54.000 0.191 0.000 0.841 185 D CB -0.407 40.481 40.800 0.147 0.000 0.953 185 D HN 0.767 nan 8.370 nan 0.000 0.478 186 W N 0.941 122.271 121.300 0.052 0.000 2.378 186 W HA -0.153 4.508 4.660 0.000 0.000 0.313 186 W C 1.881 178.331 176.519 -0.115 0.000 1.197 186 W CA 1.111 58.431 57.345 -0.043 0.000 1.304 186 W CB -0.711 28.692 29.460 -0.094 0.000 1.148 186 W HN -0.181 nan 8.180 nan 0.000 0.494 187 F N 0.156 119.960 119.950 -0.244 0.000 2.161 187 F HA -0.267 4.261 4.527 0.000 0.000 0.300 187 F C 2.475 178.002 175.800 -0.456 0.000 1.089 187 F CA 2.110 59.701 58.000 -0.681 0.000 1.282 187 F CB -1.151 37.185 39.000 -1.107 0.000 1.010 187 F HN -0.087 nan 8.300 nan 0.000 0.485 188 M N 0.247 119.919 119.600 0.119 0.000 2.213 188 M HA -0.162 4.318 4.480 0.000 0.000 0.263 188 M C 2.400 178.737 176.300 0.062 0.000 1.062 188 M CA 1.803 57.244 55.300 0.234 0.000 1.105 188 M CB -0.667 32.016 32.600 0.137 0.000 1.385 188 M HN 0.106 nan 8.290 nan 0.000 0.417 189 S N -0.881 114.774 115.700 -0.075 0.000 2.474 189 S HA -0.095 4.375 4.470 0.000 0.000 0.235 189 S C 1.460 175.962 174.600 -0.163 0.000 0.997 189 S CA 0.702 58.834 58.200 -0.113 0.000 0.949 189 S CB -0.452 62.666 63.200 -0.137 0.000 0.766 189 S HN 0.629 nan 8.310 nan 0.000 0.517 190 Q N 0.058 119.697 119.800 -0.268 0.000 2.280 190 Q HA 0.231 4.571 4.340 0.000 0.000 0.201 190 Q C -0.501 175.429 176.000 -0.117 0.000 0.890 190 Q CA -0.368 55.270 55.803 -0.274 0.000 0.947 190 Q CB -0.413 28.012 28.738 -0.520 0.000 1.081 190 Q HN 0.768 nan 8.270 nan 0.000 0.502 191 Y N 1.670 121.918 120.300 -0.087 0.000 2.881 191 Y HA 0.043 4.593 4.550 0.000 0.000 0.335 191 Y C 1.486 177.349 175.900 -0.061 0.000 1.263 191 Y CA 1.979 60.069 58.100 -0.017 0.000 1.572 191 Y CB 0.224 38.711 38.460 0.046 0.000 1.237 191 Y HN 0.517 nan 8.280 nan 0.000 0.568 192 G N 3.327 111.623 108.800 -0.841 0.000 2.184 192 G HA2 -0.356 3.605 3.960 0.000 0.000 0.264 192 G HA3 -0.356 3.605 3.960 0.000 0.000 0.264 192 G C 0.132 174.834 174.900 -0.330 0.000 0.975 192 G CA 0.217 44.945 45.100 -0.620 0.000 0.642 192 G HN 0.679 nan 8.290 nan 0.000 0.536 193 N N 0.681 119.240 118.700 -0.234 0.000 2.467 193 N HA 0.266 5.006 4.740 0.000 0.000 0.262 193 N C 0.114 175.614 175.510 -0.016 0.000 1.234 193 N CA -0.324 52.666 53.050 -0.100 0.000 0.952 193 N CB 0.389 38.828 38.487 -0.080 0.000 1.158 193 N HN 0.429 nan 8.380 nan 0.000 0.463 194 N N 1.016 119.747 118.700 0.053 0.000 2.499 194 N HA 0.007 4.748 4.740 0.000 0.000 0.281 194 N C 0.734 176.385 175.510 0.235 0.000 1.098 194 N CA -0.242 52.903 53.050 0.158 0.000 0.979 194 N CB 0.589 39.137 38.487 0.102 0.000 1.121 194 N HN 0.388 nan 8.380 nan 0.000 0.466 195 F N 4.515 124.570 119.950 0.175 0.000 2.091 195 F HA -0.198 4.329 4.527 0.000 0.000 0.299 195 F C 1.816 177.557 175.800 -0.099 0.000 1.103 195 F CA 1.406 59.398 58.000 -0.013 0.000 1.228 195 F CB -0.201 38.569 39.000 -0.385 0.000 0.984 195 F HN 0.352 nan 8.300 nan 0.000 0.477 196 V N 0.539 120.336 119.914 -0.195 0.000 2.427 196 V HA -0.270 3.850 4.120 0.000 0.000 0.248 196 V C 2.131 178.091 176.094 -0.223 0.000 1.051 196 V CA 2.118 64.236 62.300 -0.303 0.000 1.048 196 V CB -0.733 31.047 31.823 -0.071 0.000 0.666 196 V HN 0.302 nan 8.190 nan 0.000 0.456 197 D N -0.164 120.174 120.400 -0.104 0.000 2.123 197 D HA -0.184 4.456 4.640 0.000 0.000 0.196 197 D C 2.191 178.435 176.300 -0.093 0.000 0.992 197 D CA 1.547 55.504 54.000 -0.071 0.000 0.833 197 D CB -0.207 40.579 40.800 -0.023 0.000 0.954 197 D HN 0.376 nan 8.370 nan 0.000 0.455 198 M N 0.056 119.593 119.600 -0.106 0.000 2.117 198 M HA -0.150 4.330 4.480 0.000 0.000 0.262 198 M C 2.565 178.794 176.300 -0.118 0.000 1.065 198 M CA 1.011 56.264 55.300 -0.077 0.000 1.114 198 M CB -0.272 32.320 32.600 -0.012 0.000 1.361 198 M HN 0.092 nan 8.290 nan 0.000 0.408 199 C N 0.260 119.365 119.300 -0.326 0.000 2.425 199 C HA -0.103 4.357 4.460 0.000 0.000 0.277 199 C C 3.061 177.936 174.990 -0.191 0.000 1.280 199 C CA 0.938 59.761 59.018 -0.325 0.000 1.744 199 C CB -1.504 25.903 27.740 -0.556 0.000 1.989 199 C HN 0.642 nan 8.230 nan 0.000 0.491 200 A N 0.316 123.038 122.820 -0.164 0.000 1.898 200 A HA -0.179 4.141 4.320 0.000 0.000 0.216 200 A C 2.308 179.848 177.584 -0.073 0.000 1.181 200 A CA 1.534 53.509 52.037 -0.103 0.000 0.620 200 A CB -0.615 18.338 19.000 -0.080 0.000 0.819 200 A HN 0.624 nan 8.150 nan 0.000 0.442 201 R N -0.624 119.843 120.500 -0.054 0.000 2.081 201 R HA -0.049 4.291 4.340 0.000 0.000 0.235 201 R C 2.038 178.318 176.300 -0.035 0.000 1.131 201 R CA 1.425 57.511 56.100 -0.022 0.000 0.960 201 R CB -0.371 29.937 30.300 0.013 0.000 0.856 201 R HN 0.541 nan 8.270 nan 0.000 0.436 202 L N -0.367 120.835 121.223 -0.035 0.000 2.046 202 L HA -0.180 4.160 4.340 0.000 0.000 0.208 202 L C 2.353 179.117 176.870 -0.177 0.000 1.077 202 L CA 1.498 56.277 54.840 -0.102 0.000 0.747 202 L CB -0.396 41.621 42.059 -0.070 0.000 0.896 202 L HN 0.265 nan 8.230 nan 0.000 0.432 203 T N -1.178 113.297 114.554 -0.132 0.000 2.720 203 T HA -0.296 4.054 4.350 0.000 0.000 0.268 203 T C 1.822 176.448 174.700 -0.122 0.000 1.037 203 T CA 1.499 63.526 62.100 -0.121 0.000 1.144 203 T CB -0.133 68.683 68.868 -0.086 0.000 0.864 203 T HN 0.365 nan 8.240 nan 0.000 0.444 204 Q N 0.402 120.140 119.800 -0.103 0.000 2.079 204 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 204 Q C 2.337 178.258 176.000 -0.133 0.000 0.974 204 Q CA 1.337 57.088 55.803 -0.087 0.000 0.840 204 Q CB -0.107 28.599 28.738 -0.052 0.000 0.898 204 Q HN 0.431 nan 8.270 nan 0.000 0.430 205 S N -0.422 115.156 115.700 -0.203 0.000 2.453 205 S HA -0.087 4.383 4.470 0.000 0.000 0.231 205 S C 1.804 176.069 174.600 -0.559 0.000 1.005 205 S CA 0.714 58.723 58.200 -0.319 0.000 0.949 205 S CB -0.090 62.905 63.200 -0.342 0.000 0.774 205 S HN 0.455 nan 8.310 nan 0.000 0.510 206 C N 1.301 120.296 119.300 -0.509 0.000 2.539 206 C HA 0.161 4.621 4.460 0.000 0.000 0.268 206 C C 2.801 177.676 174.990 -0.192 0.000 1.395 206 C CA -0.082 58.687 59.018 -0.415 0.000 1.757 206 C CB -1.420 26.135 27.740 -0.308 0.000 1.851 206 C HN 0.517 nan 8.230 nan 0.000 0.545 207 S N 2.876 118.488 115.700 -0.146 0.000 2.372 207 S HA -0.217 4.253 4.470 0.000 0.000 0.227 207 S C 1.839 176.409 174.600 -0.051 0.000 1.044 207 S CA 2.055 60.209 58.200 -0.076 0.000 1.050 207 S CB -0.492 62.676 63.200 -0.053 0.000 0.901 207 S HN 0.893 nan 8.310 nan 0.000 0.447 208 N N 0.750 119.425 118.700 -0.041 0.000 2.503 208 N HA -0.165 4.575 4.740 0.000 0.000 0.189 208 N C 0.873 176.380 175.510 -0.005 0.000 1.048 208 N CA 1.152 54.198 53.050 -0.008 0.000 0.905 208 N CB -0.444 38.058 38.487 0.025 0.000 0.951 208 N HN 0.252 nan 8.380 nan 0.000 0.446 209 M N -1.432 118.157 119.600 -0.019 0.000 7.319 209 M HA -0.275 4.205 4.480 0.000 0.000 0.182 209 M C -1.668 174.652 176.300 0.033 0.000 0.480 209 M CA 2.462 57.756 55.300 -0.011 0.000 1.311 209 M CB -2.436 30.148 32.600 -0.027 0.000 0.421 209 M HN 0.116 nan 8.290 nan 0.000 0.286 210 P HA -0.198 nan 4.420 nan 0.000 0.225 210 P C 0.052 177.374 177.300 0.036 0.000 0.859 210 P CA 2.991 66.109 63.100 0.029 0.000 1.075 210 P CB -0.548 31.172 31.700 0.032 0.000 0.699 211 V N -1.853 118.108 119.914 0.079 0.000 4.955 211 V HA -0.240 3.881 4.120 0.000 0.000 0.387 211 V C 0.306 176.410 176.094 0.016 0.000 0.686 211 V CA 0.853 63.195 62.300 0.071 0.000 1.517 211 V CB -1.823 30.030 31.823 0.050 0.000 1.817 211 V HN 0.316 nan 8.190 nan 0.000 0.470 212 E N 6.338 126.535 120.200 -0.005 0.000 2.231 212 E HA 0.563 4.914 4.350 0.000 0.000 0.277 212 E C -2.241 174.330 176.600 -0.049 0.000 0.999 212 E CA -2.131 54.249 56.400 -0.033 0.000 0.827 212 E CB 1.310 30.983 29.700 -0.046 0.000 1.101 212 E HN 0.445 nan 8.360 nan 0.000 0.393 213 P HA 0.009 nan 4.420 nan 0.000 0.264 213 P C -0.758 176.488 177.300 -0.090 0.000 1.193 213 P CA 0.559 63.610 63.100 -0.082 0.000 0.763 213 P CB 0.405 32.053 31.700 -0.086 0.000 0.810 214 D N 0.325 120.661 120.400 -0.106 0.000 2.876 214 D HA -0.110 4.530 4.640 0.000 0.000 0.196 214 D C 0.900 177.145 176.300 -0.092 0.000 1.014 214 D CA 1.645 55.573 54.000 -0.119 0.000 1.012 214 D CB -1.476 39.252 40.800 -0.119 0.000 1.080 214 D HN 0.563 nan 8.370 nan 0.000 0.438 215 G N -0.097 108.651 108.800 -0.086 0.000 2.683 215 G HA2 0.185 4.145 3.960 0.000 0.000 0.260 215 G HA3 0.185 4.145 3.960 0.000 0.000 0.260 215 G C 1.235 176.060 174.900 -0.126 0.000 1.238 215 G CA 0.172 45.207 45.100 -0.108 0.000 0.934 215 G HN 0.040 nan 8.290 nan 0.000 0.534 216 N N -0.846 117.730 118.700 -0.207 0.000 2.043 216 N HA -0.158 4.582 4.740 0.000 0.000 0.193 216 N C 1.938 177.306 175.510 -0.236 0.000 1.037 216 N CA 1.402 54.297 53.050 -0.259 0.000 0.851 216 N CB -0.558 37.699 38.487 -0.384 0.000 1.027 216 N HN 0.555 nan 8.380 nan 0.000 0.422 217 Y N 1.190 121.375 120.300 -0.192 0.000 2.165 217 Y HA -0.177 4.374 4.550 0.000 0.000 0.286 217 Y C 2.357 178.149 175.900 -0.181 0.000 1.155 217 Y CA 1.038 59.011 58.100 -0.213 0.000 1.164 217 Y CB -0.959 37.413 38.460 -0.147 0.000 0.978 217 Y HN 0.181 nan 8.280 nan 0.000 0.513 218 D N -0.875 119.542 120.400 0.029 0.000 2.162 218 D HA -0.120 4.520 4.640 0.000 0.000 0.203 218 D C 1.921 178.229 176.300 0.013 0.000 0.967 218 D CA 1.136 55.133 54.000 -0.006 0.000 0.840 218 D CB -0.033 40.743 40.800 -0.040 0.000 0.972 218 D HN 0.350 nan 8.370 nan 0.000 0.482 219 Q N -0.406 119.400 119.800 0.010 0.000 2.083 219 Q HA -0.138 4.202 4.340 0.000 0.000 0.198 219 Q C 2.338 178.454 176.000 0.193 0.000 0.969 219 Q CA 0.983 56.871 55.803 0.141 0.000 0.838 219 Q CB -0.031 28.794 28.738 0.144 0.000 0.900 219 Q HN 0.466 nan 8.270 nan 0.000 0.436 220 Q N 0.154 119.905 119.800 -0.082 0.000 2.045 220 Q HA -0.195 4.145 4.340 0.000 0.000 0.206 220 Q C 2.112 178.075 176.000 -0.061 0.000 0.991 220 Q CA 1.597 57.187 55.803 -0.355 0.000 0.851 220 Q CB -0.136 27.990 28.738 -1.020 0.000 0.911 220 Q HN 0.414 nan 8.270 nan 0.000 0.418 221 M N -0.187 119.401 119.600 -0.020 0.000 2.086 221 M HA -0.175 4.305 4.480 0.000 0.000 0.261 221 M C 2.225 178.649 176.300 0.207 0.000 1.067 221 M CA 1.541 56.883 55.300 0.070 0.000 1.116 221 M CB -0.235 32.371 32.600 0.011 0.000 1.348 221 M HN 0.123 nan 8.290 nan 0.000 0.407 222 R N -0.027 120.632 120.500 0.264 0.000 2.081 222 R HA -0.073 4.268 4.340 0.000 0.000 0.235 222 R C 2.315 178.919 176.300 0.507 0.000 1.131 222 R CA 1.471 57.825 56.100 0.424 0.000 0.960 222 R CB -0.444 30.151 30.300 0.491 0.000 0.856 222 R HN 0.372 nan 8.270 nan 0.000 0.436 223 A N 1.113 124.256 122.820 0.538 0.000 1.897 223 A HA -0.128 4.192 4.320 0.000 0.000 0.215 223 A C 2.039 179.967 177.584 0.573 0.000 1.181 223 A CA 0.789 53.098 52.037 0.454 0.000 0.620 223 A CB -0.420 18.885 19.000 0.507 0.000 0.821 223 A HN 0.193 nan 8.150 nan 0.000 0.443 224 L N 0.260 121.897 121.223 0.689 0.000 1.990 224 L HA -0.194 4.146 4.340 0.000 0.000 0.213 224 L C 2.273 179.504 176.870 0.603 0.000 1.072 224 L CA 1.965 57.243 54.840 0.731 0.000 0.755 224 L CB -0.577 41.813 42.059 0.551 0.000 0.889 224 L HN 0.463 nan 8.230 nan 0.000 0.432 225 I N -0.988 119.848 120.570 0.442 0.000 2.127 225 I HA -0.333 3.838 4.170 0.000 0.000 0.241 225 I C 2.366 178.663 176.117 0.299 0.000 1.075 225 I CA 1.710 63.227 61.300 0.362 0.000 1.334 225 I CB -0.522 37.638 38.000 0.267 0.000 1.040 225 I HN 0.347 nan 8.210 nan 0.000 0.405 226 S N 0.696 116.558 115.700 0.269 0.000 2.428 226 S HA -0.106 4.364 4.470 0.000 0.000 0.230 226 S C 1.853 176.537 174.600 0.139 0.000 1.014 226 S CA 0.569 58.871 58.200 0.171 0.000 0.957 226 S CB -0.562 62.755 63.200 0.195 0.000 0.784 226 S HN 0.300 nan 8.310 nan 0.000 0.499 227 L N 1.128 122.490 121.223 0.232 0.000 2.005 227 L HA 0.086 4.426 4.340 0.000 0.000 0.207 227 L C 2.152 179.182 176.870 0.267 0.000 1.072 227 L CA 1.624 56.611 54.840 0.245 0.000 0.744 227 L CB -1.096 41.128 42.059 0.275 0.000 0.895 227 L HN 0.508 nan 8.230 nan 0.000 0.433 228 W N -0.030 121.277 121.300 0.012 0.000 2.332 228 W HA -0.293 4.367 4.660 0.000 0.000 0.321 228 W C 2.365 178.567 176.519 -0.527 0.000 1.219 228 W CA 2.170 59.146 57.345 -0.614 0.000 1.277 228 W CB -0.714 27.718 29.460 -1.714 0.000 1.161 228 W HN 0.252 nan 8.180 nan 0.000 0.476 229 L N 1.006 121.868 121.223 -0.600 0.000 2.043 229 L HA -0.222 4.118 4.340 0.000 0.000 0.212 229 L C 2.364 178.910 176.870 -0.539 0.000 1.075 229 L CA 2.081 56.409 54.840 -0.853 0.000 0.752 229 L CB -1.080 40.734 42.059 -0.409 0.000 0.891 229 L HN 0.206 nan 8.230 nan 0.000 0.432 230 L N -1.596 119.452 121.223 -0.292 0.000 2.217 230 L HA -0.135 4.205 4.340 0.000 0.000 0.211 230 L C 2.357 179.146 176.870 -0.135 0.000 1.107 230 L CA 0.993 55.730 54.840 -0.171 0.000 0.783 230 L CB -0.502 41.518 42.059 -0.064 0.000 0.919 230 L HN 0.230 nan 8.230 nan 0.000 0.442 231 S N -1.042 114.559 115.700 -0.165 0.000 2.387 231 S HA -0.194 4.276 4.470 0.000 0.000 0.226 231 S C 1.855 176.307 174.600 -0.248 0.000 1.026 231 S CA 0.822 58.994 58.200 -0.047 0.000 0.972 231 S CB -0.357 62.923 63.200 0.133 0.000 0.814 231 S HN 0.381 nan 8.310 nan 0.000 0.477 232 Y N 2.893 122.597 120.300 -0.994 0.000 2.224 232 Y HA -0.072 4.478 4.550 0.000 0.000 0.289 232 Y C 1.826 177.470 175.900 -0.428 0.000 1.146 232 Y CA 1.362 58.836 58.100 -1.043 0.000 1.182 232 Y CB -0.297 37.184 38.460 -1.632 0.000 0.983 232 Y HN 0.368 nan 8.280 nan 0.000 0.524 233 I N -3.372 117.030 120.570 -0.279 0.000 3.793 233 I HA 0.370 4.540 4.170 0.000 0.000 0.315 233 I C 1.669 177.666 176.117 -0.200 0.000 1.275 233 I CA 0.845 62.005 61.300 -0.235 0.000 1.214 233 I CB -0.304 37.596 38.000 -0.167 0.000 1.018 233 I HN 0.238 nan 8.210 nan 0.000 0.439 234 G N 1.854 110.581 108.800 -0.122 0.000 2.225 234 G HA2 -0.348 3.612 3.960 0.000 0.000 0.254 234 G HA3 -0.348 3.612 3.960 0.000 0.000 0.254 234 G C 0.926 175.862 174.900 0.061 0.000 0.988 234 G CA 0.723 45.806 45.100 -0.028 0.000 0.625 234 G HN 0.688 nan 8.290 nan 0.000 0.527 235 V N -1.637 118.275 119.914 -0.004 0.000 2.548 235 V HA 0.407 4.527 4.120 0.000 0.000 0.249 235 V C 1.355 177.469 176.094 0.033 0.000 1.055 235 V CA 1.303 63.602 62.300 -0.001 0.000 1.065 235 V CB -0.029 31.765 31.823 -0.048 0.000 0.681 235 V HN 0.555 nan 8.190 nan 0.000 0.462 236 V N 3.673 123.624 119.914 0.061 0.000 2.350 236 V HA 0.571 4.692 4.120 0.000 0.000 0.276 236 V C -0.159 176.048 176.094 0.188 0.000 1.028 236 V CA 0.206 62.566 62.300 0.100 0.000 0.860 236 V CB 0.524 32.410 31.823 0.105 0.000 0.990 236 V HN 0.985 nan 8.190 nan 0.000 0.453 237 N N 2.833 121.597 118.700 0.106 0.000 3.506 237 N HA 0.216 4.956 4.740 0.000 0.000 0.331 237 N C 0.530 175.795 175.510 -0.409 0.000 1.631 237 N CA -0.849 52.221 53.050 0.033 0.000 0.786 237 N CB 0.696 39.242 38.487 0.098 0.000 2.023 237 N HN 0.249 nan 8.380 nan 0.000 0.621 238 Q N -0.778 118.572 119.800 -0.750 0.000 2.230 238 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 238 Q C 0.706 176.398 176.000 -0.513 0.000 0.963 238 Q CA 1.914 57.054 55.803 -1.104 0.000 0.866 238 Q CB -0.200 28.026 28.738 -0.852 0.000 0.931 238 Q HN 0.840 nan 8.270 nan 0.000 0.452 239 T N -2.466 111.905 114.554 -0.304 0.000 3.129 239 T HA 0.073 4.423 4.350 0.000 0.000 0.251 239 T C 0.090 174.707 174.700 -0.139 0.000 1.117 239 T CA 0.128 62.117 62.100 -0.185 0.000 1.034 239 T CB 0.105 68.902 68.868 -0.118 0.000 0.968 239 T HN 0.073 nan 8.240 nan 0.000 0.526 240 N N 1.355 119.968 118.700 -0.145 0.000 2.969 240 N HA 0.236 4.976 4.740 0.000 0.000 0.230 240 N C -0.795 174.686 175.510 -0.049 0.000 1.397 240 N CA -0.191 52.813 53.050 -0.076 0.000 0.762 240 N CB 1.301 39.765 38.487 -0.038 0.000 1.495 240 N HN 0.419 nan 8.380 nan 0.000 0.583 241 T N -0.566 113.958 114.554 -0.049 0.000 2.937 241 T HA 0.667 5.018 4.350 0.000 0.000 0.283 241 T C 0.098 174.812 174.700 0.024 0.000 1.012 241 T CA -0.737 61.370 62.100 0.012 0.000 0.997 241 T CB 1.064 69.919 68.868 -0.021 0.000 1.136 241 T HN 0.193 nan 8.240 nan 0.000 0.551 242 I N 1.812 122.421 120.570 0.065 0.000 2.354 242 I HA 0.254 4.424 4.170 0.000 0.000 0.286 242 I C 0.275 176.444 176.117 0.087 0.000 1.007 242 I CA -0.723 60.601 61.300 0.039 0.000 1.167 242 I CB 1.448 39.450 38.000 0.004 0.000 1.320 242 I HN 0.948 nan 8.210 nan 0.000 0.458 243 S N 4.676 120.410 115.700 0.058 0.000 3.462 243 S HA -0.249 4.221 4.470 0.000 0.000 0.370 243 S C 1.244 175.879 174.600 0.059 0.000 1.028 243 S CA 0.931 59.191 58.200 0.100 0.000 1.119 243 S CB -1.144 62.168 63.200 0.187 0.000 0.906 243 S HN 1.287 nan 8.310 nan 0.000 0.471 244 G N -1.216 107.520 108.800 -0.106 0.000 2.258 244 G HA2 -0.277 3.683 3.960 0.000 0.000 0.233 244 G HA3 -0.277 3.683 3.960 0.000 0.000 0.233 244 G C -0.046 174.636 174.900 -0.363 0.000 1.006 244 G CA 0.025 44.846 45.100 -0.465 0.000 0.620 244 G HN 0.591 nan 8.290 nan 0.000 0.511 245 F N 0.967 120.979 119.950 0.102 0.000 2.379 245 F HA 0.751 5.278 4.527 0.000 0.000 0.332 245 F C 0.467 176.347 175.800 0.134 0.000 1.096 245 F CA -0.369 57.690 58.000 0.099 0.000 1.105 245 F CB 1.185 40.132 39.000 -0.088 0.000 1.189 245 F HN 0.396 nan 8.300 nan 0.000 0.515 246 Y N -0.503 119.874 120.300 0.127 0.000 2.604 246 Y HA 0.657 5.207 4.550 0.000 0.000 0.331 246 Y C -2.092 173.838 175.900 0.050 0.000 1.158 246 Y CA -2.579 55.587 58.100 0.110 0.000 1.056 246 Y CB 0.470 39.008 38.460 0.130 0.000 1.330 246 Y HN 0.367 nan 8.280 nan 0.000 0.457 247 F N 1.657 121.749 119.950 0.235 0.000 2.397 247 F HA 0.692 5.219 4.527 0.000 0.000 0.331 247 F C 0.589 176.721 175.800 0.553 0.000 1.090 247 F CA -0.363 57.809 58.000 0.287 0.000 1.065 247 F CB 2.076 41.335 39.000 0.431 0.000 1.184 247 F HN 0.632 nan 8.300 nan 0.000 0.499 248 S N 1.424 117.507 115.700 0.639 0.000 2.548 248 S HA 0.702 5.173 4.470 0.000 0.000 0.286 248 S C -1.090 173.633 174.600 0.206 0.000 1.098 248 S CA -0.466 58.041 58.200 0.512 0.000 0.930 248 S CB 1.607 65.112 63.200 0.508 0.000 1.070 248 S HN 0.620 nan 8.310 nan 0.000 0.480 249 S N 2.339 117.957 115.700 -0.137 0.000 2.538 249 S HA 0.450 4.921 4.470 0.000 0.000 0.288 249 S C 0.501 175.004 174.600 -0.162 0.000 1.108 249 S CA -0.679 57.312 58.200 -0.348 0.000 0.971 249 S CB 1.350 63.933 63.200 -1.028 0.000 1.041 249 S HN 0.789 nan 8.310 nan 0.000 0.483 250 K N 1.148 121.488 120.400 -0.100 0.000 2.026 250 K HA -0.033 4.287 4.320 0.000 0.000 0.208 250 K C 0.995 177.596 176.600 0.002 0.000 1.048 250 K CA 1.668 57.920 56.287 -0.060 0.000 0.929 250 K CB -0.293 32.186 32.500 -0.035 0.000 0.713 250 K HN 0.807 nan 8.250 nan 0.000 0.439 251 T N -0.928 113.617 114.554 -0.015 0.000 2.934 251 T HA 0.513 4.863 4.350 0.000 0.000 0.283 251 T C -0.530 174.191 174.700 0.035 0.000 1.005 251 T CA -1.029 61.082 62.100 0.019 0.000 1.041 251 T CB 1.857 70.700 68.868 -0.042 0.000 1.042 251 T HN -0.074 nan 8.240 nan 0.000 0.505 252 R N 0.263 120.792 120.500 0.047 0.000 2.483 252 R HA 0.570 4.910 4.340 0.000 0.000 0.303 252 R C 0.445 176.723 176.300 -0.037 0.000 0.987 252 R CA 0.456 56.541 56.100 -0.026 0.000 0.881 252 R CB 0.596 30.784 30.300 -0.186 0.000 1.177 252 R HN 1.417 nan 8.270 nan 0.000 0.451 253 G N 2.290 111.094 108.800 0.005 0.000 2.203 253 G HA2 -0.197 3.763 3.960 0.000 0.000 0.231 253 G HA3 -0.197 3.763 3.960 0.000 0.000 0.231 253 G C -0.544 174.395 174.900 0.066 0.000 1.058 253 G CA 0.193 45.330 45.100 0.062 0.000 0.781 253 G HN 0.592 nan 8.290 nan 0.000 0.496 254 Q N -1.761 117.939 119.800 -0.168 0.000 2.590 254 Q HA 0.698 5.039 4.340 0.000 0.000 0.295 254 Q C 1.262 176.672 176.000 -0.984 0.000 0.973 254 Q CA -0.088 55.385 55.803 -0.551 0.000 0.768 254 Q CB 1.347 29.941 28.738 -0.240 0.000 1.479 254 Q HN 0.746 nan 8.270 nan 0.000 0.419 255 A N 1.329 123.311 122.820 -1.398 0.000 1.940 255 A HA -0.095 4.226 4.320 0.000 0.000 0.219 255 A C 1.474 178.874 177.584 -0.305 0.000 1.176 255 A CA 1.370 52.893 52.037 -0.857 0.000 0.631 255 A CB -0.396 18.367 19.000 -0.395 0.000 0.814 255 A HN 0.619 nan 8.150 nan 0.000 0.446 256 L N -0.256 120.828 121.223 -0.230 0.000 2.591 256 L HA 0.039 4.379 4.340 0.000 0.000 0.228 256 L C -0.319 176.499 176.870 -0.086 0.000 1.133 256 L CA -0.449 54.327 54.840 -0.107 0.000 0.880 256 L CB -0.586 41.429 42.059 -0.073 0.000 1.033 256 L HN 0.164 nan 8.230 nan 0.000 0.450 257 D N 1.010 121.345 120.400 -0.108 0.000 2.752 257 D HA -0.003 4.638 4.640 0.000 0.000 0.225 257 D C 0.192 176.457 176.300 -0.058 0.000 1.104 257 D CA 0.927 54.867 54.000 -0.100 0.000 0.832 257 D CB 0.483 41.300 40.800 0.028 0.000 1.161 257 D HN -0.065 nan 8.370 nan 0.000 0.505 258 S N 1.920 117.502 115.700 -0.197 0.000 2.592 258 S HA 0.402 4.872 4.470 0.000 0.000 0.275 258 S C -1.838 172.686 174.600 -0.127 0.000 1.169 258 S CA -0.819 57.358 58.200 -0.038 0.000 0.958 258 S CB 0.280 63.488 63.200 0.013 0.000 1.095 258 S HN 0.379 nan 8.310 nan 0.000 0.471 259 W N 3.224 124.683 121.300 0.265 0.000 2.314 259 W HA 0.470 5.130 4.660 0.000 0.000 0.310 259 W C 0.143 176.880 176.519 0.363 0.000 1.075 259 W CA -0.419 57.127 57.345 0.335 0.000 1.253 259 W CB 1.626 31.278 29.460 0.321 0.000 1.238 259 W HN 0.427 nan 8.180 nan 0.000 0.440 260 T N 4.395 119.196 114.554 0.412 0.000 2.794 260 T HA 0.333 4.683 4.350 0.000 0.000 0.280 260 T C -0.759 173.765 174.700 -0.294 0.000 0.987 260 T CA -0.732 61.369 62.100 0.002 0.000 0.993 260 T CB 1.202 69.866 68.868 -0.340 0.000 0.939 260 T HN 0.168 nan 8.240 nan 0.000 0.449 261 L N 4.382 125.311 121.223 -0.490 0.000 2.361 261 L HA 0.500 4.840 4.340 0.000 0.000 0.278 261 L C -1.299 174.930 176.870 -1.068 0.000 1.113 261 L CA 0.289 54.608 54.840 -0.869 0.000 0.849 261 L CB -0.698 40.982 42.059 -0.633 0.000 1.155 261 L HN 0.480 nan 8.230 nan 0.000 0.452 262 F N 4.594 124.143 119.950 -0.669 0.000 2.712 262 F HA 0.584 5.111 4.527 0.000 0.000 0.367 262 F C -0.786 174.916 175.800 -0.163 0.000 1.132 262 F CA -0.625 57.022 58.000 -0.587 0.000 1.066 262 F CB 1.125 39.739 39.000 -0.643 0.000 1.416 262 F HN 0.358 nan 8.300 nan 0.000 0.515 263 Y N -0.619 119.872 120.300 0.318 0.000 2.519 263 Y HA 0.549 5.099 4.550 0.000 0.000 0.336 263 Y C -1.204 174.821 175.900 0.209 0.000 1.089 263 Y CA -0.588 57.614 58.100 0.169 0.000 1.025 263 Y CB 2.010 40.512 38.460 0.069 0.000 1.318 263 Y HN 0.519 nan 8.280 nan 0.000 0.452 264 T N 3.906 118.031 114.554 -0.715 0.000 2.916 264 T HA 0.260 4.610 4.350 0.000 0.000 0.298 264 T C 0.257 174.486 174.700 -0.784 0.000 1.031 264 T CA -0.329 61.480 62.100 -0.485 0.000 0.993 264 T CB 1.892 70.612 68.868 -0.247 0.000 1.045 264 T HN 0.781 nan 8.240 nan 0.000 0.454 265 T N 1.985 116.314 114.554 -0.376 0.000 3.031 265 T HA -0.010 4.340 4.350 0.000 0.000 0.254 265 T C 1.852 176.459 174.700 -0.155 0.000 1.060 265 T CA 0.539 62.514 62.100 -0.209 0.000 1.135 265 T CB 0.023 68.864 68.868 -0.046 0.000 0.896 265 T HN 0.697 nan 8.240 nan 0.000 0.472 266 N N 1.300 119.913 118.700 -0.144 0.000 2.254 266 N HA 0.012 4.752 4.740 0.000 0.000 0.190 266 N C 0.665 176.108 175.510 -0.112 0.000 1.107 266 N CA 0.021 53.009 53.050 -0.104 0.000 0.869 266 N CB -0.035 38.402 38.487 -0.082 0.000 0.983 266 N HN 0.399 nan 8.380 nan 0.000 0.487 267 T N -1.592 112.874 114.554 -0.146 0.000 2.936 267 T HA 0.301 4.651 4.350 0.000 0.000 0.282 267 T C 0.010 174.637 174.700 -0.122 0.000 1.003 267 T CA -0.853 61.164 62.100 -0.137 0.000 1.005 267 T CB 1.253 70.016 68.868 -0.175 0.000 1.097 267 T HN 0.032 nan 8.240 nan 0.000 0.532 268 N N 0.046 118.685 118.700 -0.101 0.000 2.407 268 N HA 0.106 4.846 4.740 0.000 0.000 0.250 268 N C -0.629 174.836 175.510 -0.077 0.000 1.236 268 N CA 0.133 53.137 53.050 -0.077 0.000 0.879 268 N CB 0.203 38.653 38.487 -0.061 0.000 1.088 268 N HN 0.514 nan 8.380 nan 0.000 0.450 269 R N 1.965 122.431 120.500 -0.056 0.000 2.439 269 R HA 0.305 4.646 4.340 0.000 0.000 0.310 269 R C -0.744 175.540 176.300 -0.026 0.000 0.955 269 R CA -1.005 55.069 56.100 -0.044 0.000 0.853 269 R CB 1.269 31.544 30.300 -0.042 0.000 1.171 269 R HN 0.503 nan 8.270 nan 0.000 0.449 270 V N 1.145 121.048 119.914 -0.019 0.000 2.999 270 V HA 0.125 4.245 4.120 0.000 0.000 0.307 270 V C -0.200 175.890 176.094 -0.007 0.000 1.084 270 V CA -0.190 62.103 62.300 -0.012 0.000 1.155 270 V CB 0.920 32.737 31.823 -0.009 0.000 0.975 270 V HN 0.725 nan 8.190 nan 0.000 0.490 271 Q N 3.525 123.325 119.800 -0.000 0.000 2.413 271 Q HA 0.573 4.913 4.340 0.000 0.000 0.258 271 Q C -0.692 175.319 176.000 0.018 0.000 1.037 271 Q CA -0.202 55.605 55.803 0.006 0.000 0.764 271 Q CB 1.572 30.314 28.738 0.006 0.000 1.217 271 Q HN 0.807 nan 8.270 nan 0.000 0.490 272 I N 1.803 122.383 120.570 0.017 0.000 2.436 272 I HA 0.028 4.198 4.170 0.000 0.000 0.289 272 I C 0.982 177.123 176.117 0.041 0.000 1.083 272 I CA 0.202 61.529 61.300 0.045 0.000 1.372 272 I CB 1.083 39.099 38.000 0.027 0.000 1.408 272 I HN 0.641 nan 8.210 nan 0.000 0.516 273 T N 5.086 119.671 114.554 0.052 0.000 3.044 273 T HA 0.018 4.368 4.350 0.000 0.000 0.255 273 T C 0.454 175.134 174.700 -0.032 0.000 1.073 273 T CA 0.673 62.782 62.100 0.014 0.000 1.125 273 T CB 0.108 68.988 68.868 0.020 0.000 0.908 273 T HN 0.744 nan 8.240 nan 0.000 0.480 274 Q N -0.006 119.742 119.800 -0.087 0.000 2.501 274 Q HA 0.530 4.870 4.340 0.000 0.000 0.288 274 Q C -0.898 174.887 176.000 -0.359 0.000 1.051 274 Q CA -1.148 54.524 55.803 -0.217 0.000 0.788 274 Q CB 1.714 30.290 28.738 -0.269 0.000 1.469 274 Q HN -0.009 nan 8.270 nan 0.000 0.416 275 R N 1.071 121.405 120.500 -0.277 0.000 2.570 275 R HA 0.099 4.440 4.340 0.000 0.000 0.277 275 R C -0.915 175.061 176.300 -0.540 0.000 1.039 275 R CA 0.378 56.346 56.100 -0.220 0.000 1.065 275 R CB 0.437 30.669 30.300 -0.114 0.000 0.964 275 R HN 0.626 nan 8.270 nan 0.000 0.428 276 H N 3.887 122.808 119.070 -0.249 0.000 2.637 276 H HA 0.323 4.879 4.556 0.000 0.000 0.363 276 H C -1.394 173.636 175.328 -0.495 0.000 1.131 276 H CA -0.539 55.136 56.048 -0.622 0.000 1.183 276 H CB 1.751 30.657 29.762 -1.427 0.000 1.637 276 H HN 0.509 nan 8.280 nan 0.000 0.531 277 F N 1.583 121.313 119.950 -0.366 0.000 2.581 277 F HA 0.614 5.141 4.527 0.000 0.000 0.311 277 F C -1.587 174.277 175.800 0.106 0.000 1.113 277 F CA -0.424 57.479 58.000 -0.161 0.000 0.935 277 F CB 1.475 40.315 39.000 -0.268 0.000 1.232 277 F HN 0.659 nan 8.300 nan 0.000 0.445 278 A N 4.087 126.322 122.820 -0.976 0.000 2.515 278 A HA 0.706 5.026 4.320 0.000 0.000 0.298 278 A C -2.385 174.620 177.584 -0.964 0.000 1.059 278 A CA -0.522 51.165 52.037 -0.584 0.000 0.698 278 A CB 0.939 19.904 19.000 -0.057 0.000 1.289 278 A HN 0.645 nan 8.150 nan 0.000 0.404 279 Y N 0.499 120.653 120.300 -0.243 0.000 2.313 279 Y HA 0.524 5.074 4.550 0.000 0.000 0.332 279 Y C 0.047 175.991 175.900 0.073 0.000 1.071 279 Y CA -0.447 57.638 58.100 -0.024 0.000 1.169 279 Y CB 1.828 40.424 38.460 0.226 0.000 1.192 279 Y HN 0.380 nan 8.280 nan 0.000 0.487 280 V N 3.629 123.691 119.914 0.247 0.000 2.569 280 V HA 0.391 4.511 4.120 0.000 0.000 0.301 280 V C -0.431 175.880 176.094 0.361 0.000 1.044 280 V CA -1.138 61.312 62.300 0.250 0.000 0.874 280 V CB 1.240 33.156 31.823 0.155 0.000 1.002 280 V HN 0.981 nan 8.190 nan 0.000 0.424 281 C N 2.625 122.115 119.300 0.316 0.000 2.470 281 C HA 0.969 5.429 4.460 0.000 0.000 0.341 281 C C 0.671 175.727 174.990 0.110 0.000 1.190 281 C CA -0.758 58.439 59.018 0.298 0.000 1.904 281 C CB 1.134 28.910 27.740 0.060 0.000 2.354 281 C HN 1.172 nan 8.230 nan 0.000 0.509 282 A N 1.799 124.483 122.820 -0.226 0.000 2.347 282 A HA 0.441 4.761 4.320 0.000 0.000 0.287 282 A C 1.383 178.749 177.584 -0.363 0.000 1.199 282 A CA -0.318 51.322 52.037 -0.661 0.000 0.851 282 A CB 0.013 18.377 19.000 -1.061 0.000 1.118 282 A HN 1.094 nan 8.150 nan 0.000 0.525 283 R N 2.505 122.847 120.500 -0.264 0.000 2.062 283 R HA -0.059 4.281 4.340 0.000 0.000 0.229 283 R C 1.025 177.182 176.300 -0.238 0.000 1.128 283 R CA 1.669 57.654 56.100 -0.192 0.000 0.960 283 R CB -0.116 30.104 30.300 -0.133 0.000 0.855 283 R HN 0.764 nan 8.270 nan 0.000 0.432 284 S N -0.591 114.937 115.700 -0.286 0.000 2.617 284 S HA 0.363 4.833 4.470 0.000 0.000 0.283 284 S C -2.157 172.097 174.600 -0.576 0.000 1.189 284 S CA -1.593 56.312 58.200 -0.490 0.000 1.036 284 S CB 1.968 64.947 63.200 -0.367 0.000 1.014 284 S HN -0.004 nan 8.310 nan 0.000 0.522 285 P HA 0.003 nan 4.420 nan 0.000 0.233 285 P C 0.526 177.285 177.300 -0.902 0.000 1.167 285 P CA 0.735 63.144 63.100 -1.152 0.000 0.770 285 P CB -0.206 30.251 31.700 -2.072 0.000 0.837 286 D N -0.517 119.515 120.400 -0.613 0.000 2.354 286 D HA -0.224 4.416 4.640 0.000 0.000 0.216 286 D C 1.694 177.872 176.300 -0.202 0.000 0.970 286 D CA 0.539 54.381 54.000 -0.263 0.000 0.905 286 D CB -1.654 39.176 40.800 0.050 0.000 0.903 286 D HN 0.425 nan 8.370 nan 0.000 0.508 287 W N 1.638 122.768 121.300 -0.284 0.000 2.341 287 W HA -0.174 4.486 4.660 0.000 0.000 0.283 287 W C 0.890 177.351 176.519 -0.096 0.000 1.215 287 W CA 0.582 57.795 57.345 -0.220 0.000 1.211 287 W CB -1.063 28.183 29.460 -0.355 0.000 1.131 287 W HN -0.091 nan 8.180 nan 0.000 0.552 288 N N 1.352 119.435 118.700 -1.029 0.000 2.348 288 N HA -0.145 4.595 4.740 0.000 0.000 0.185 288 N C 1.614 176.914 175.510 -0.351 0.000 1.019 288 N CA 1.783 54.214 53.050 -1.033 0.000 0.880 288 N CB -0.086 37.679 38.487 -1.203 0.000 0.965 288 N HN 0.225 nan 8.380 nan 0.000 0.437 289 V N 0.090 119.897 119.914 -0.178 0.000 3.645 289 V HA 0.062 4.182 4.120 0.000 0.000 0.275 289 V C -0.126 176.111 176.094 0.238 0.000 1.356 289 V CA 0.021 62.398 62.300 0.128 0.000 1.051 289 V CB 0.241 32.172 31.823 0.181 0.000 0.828 289 V HN -0.027 nan 8.190 nan 0.000 0.441 290 D N 0.952 121.502 120.400 0.251 0.000 2.374 290 D HA 0.110 4.751 4.640 0.000 0.000 0.240 290 D C 1.156 177.671 176.300 0.358 0.000 1.229 290 D CA 0.135 54.355 54.000 0.367 0.000 0.895 290 D CB 1.175 42.241 40.800 0.445 0.000 1.046 290 D HN 0.304 nan 8.370 nan 0.000 0.498 291 K N 1.127 121.709 120.400 0.304 0.000 2.148 291 K HA -0.051 4.269 4.320 0.000 0.000 0.204 291 K C 1.739 178.443 176.600 0.173 0.000 1.050 291 K CA 0.661 57.083 56.287 0.224 0.000 0.942 291 K CB 0.312 32.925 32.500 0.188 0.000 0.724 291 K HN 0.221 nan 8.250 nan 0.000 0.446 292 S N 0.353 116.183 115.700 0.216 0.000 2.388 292 S HA -0.090 4.380 4.470 0.000 0.000 0.223 292 S C 1.342 175.771 174.600 -0.286 0.000 1.034 292 S CA 0.237 58.437 58.200 -0.001 0.000 0.963 292 S CB -0.202 63.023 63.200 0.041 0.000 0.827 292 S HN 0.446 nan 8.310 nan 0.000 0.481 293 W N 2.423 123.646 121.300 -0.129 0.000 2.335 293 W HA -0.100 4.560 4.660 0.000 0.000 0.311 293 W C 1.700 178.213 176.519 -0.010 0.000 1.213 293 W CA 1.143 58.462 57.345 -0.043 0.000 1.274 293 W CB -0.539 29.014 29.460 0.156 0.000 1.148 293 W HN 0.252 nan 8.180 nan 0.000 0.498 294 I N 0.735 121.489 120.570 0.307 0.000 2.315 294 I HA -0.275 3.895 4.170 0.000 0.000 0.248 294 I C 2.661 178.805 176.117 0.045 0.000 1.117 294 I CA 1.423 62.870 61.300 0.245 0.000 1.404 294 I CB -0.833 37.349 38.000 0.303 0.000 1.071 294 I HN -0.114 nan 8.210 nan 0.000 0.419 295 A N 0.639 123.420 122.820 -0.063 0.000 1.898 295 A HA -0.124 4.196 4.320 0.000 0.000 0.216 295 A C 2.535 179.960 177.584 -0.265 0.000 1.181 295 A CA 1.659 53.575 52.037 -0.202 0.000 0.620 295 A CB -0.837 17.953 19.000 -0.351 0.000 0.819 295 A HN 0.402 nan 8.150 nan 0.000 0.442 296 A N -0.236 122.397 122.820 -0.311 0.000 1.972 296 A HA 0.165 4.486 4.320 0.000 0.000 0.219 296 A C 2.400 179.873 177.584 -0.185 0.000 1.169 296 A CA 1.979 53.862 52.037 -0.256 0.000 0.635 296 A CB -0.790 17.960 19.000 -0.416 0.000 0.810 296 A HN 1.018 nan 8.150 nan 0.000 0.446 297 A N -0.061 122.657 122.820 -0.170 0.000 1.968 297 A HA -0.106 4.214 4.320 0.000 0.000 0.217 297 A C 1.931 179.514 177.584 -0.003 0.000 1.169 297 A CA 1.274 53.276 52.037 -0.057 0.000 0.638 297 A CB -0.470 18.546 19.000 0.027 0.000 0.812 297 A HN 0.590 nan 8.150 nan 0.000 0.446 298 N N 0.227 118.917 118.700 -0.018 0.000 2.171 298 N HA -0.052 4.688 4.740 0.000 0.000 0.184 298 N C 1.712 177.205 175.510 -0.029 0.000 1.021 298 N CA 1.138 54.183 53.050 -0.009 0.000 0.854 298 N CB -0.272 38.205 38.487 -0.016 0.000 0.994 298 N HN 0.429 nan 8.380 nan 0.000 0.426 299 L N 0.983 122.170 121.223 -0.060 0.000 2.083 299 L HA -0.137 4.203 4.340 0.000 0.000 0.209 299 L C 2.254 179.113 176.870 -0.018 0.000 1.083 299 L CA 1.123 55.933 54.840 -0.051 0.000 0.752 299 L CB -0.853 41.171 42.059 -0.059 0.000 0.899 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 T N 0.047 114.609 114.554 0.014 0.000 2.720 300 T HA -0.201 4.150 4.350 0.000 0.000 0.268 300 T C 1.985 176.710 174.700 0.042 0.000 1.037 300 T CA 1.415 63.555 62.100 0.065 0.000 1.144 300 T CB -0.200 68.747 68.868 0.132 0.000 0.864 300 T HN 0.471 nan 8.240 nan 0.000 0.444 301 A N 1.057 123.901 122.820 0.039 0.000 1.940 301 A HA -0.047 4.273 4.320 0.000 0.000 0.219 301 A C 2.267 179.844 177.584 -0.011 0.000 1.176 301 A CA 1.278 53.330 52.037 0.025 0.000 0.631 301 A CB -0.730 18.283 19.000 0.023 0.000 0.814 301 A HN 0.563 nan 8.150 nan 0.000 0.446 302 I N -0.744 119.811 120.570 -0.026 0.000 2.202 302 I HA -0.186 3.984 4.170 0.000 0.000 0.242 302 I C 2.350 178.430 176.117 -0.062 0.000 1.091 302 I CA 1.027 62.304 61.300 -0.038 0.000 1.368 302 I CB -0.632 37.335 38.000 -0.054 0.000 1.058 302 I HN 0.132 nan 8.210 nan 0.000 0.410 303 V N 1.018 120.871 119.914 -0.102 0.000 2.252 303 V HA -0.345 3.775 4.120 0.000 0.000 0.249 303 V C 2.517 178.452 176.094 -0.265 0.000 1.056 303 V CA 2.278 64.450 62.300 -0.213 0.000 1.022 303 V CB -0.513 31.125 31.823 -0.309 0.000 0.641 303 V HN 0.402 nan 8.190 nan 0.000 0.445 304 M N -0.612 118.868 119.600 -0.200 0.000 2.296 304 M HA -0.066 4.414 4.480 0.000 0.000 0.265 304 M C 2.239 178.545 176.300 0.010 0.000 1.064 304 M CA 1.634 56.879 55.300 -0.092 0.000 1.109 304 M CB -0.470 32.169 32.600 0.066 0.000 1.396 304 M HN 0.395 nan 8.290 nan 0.000 0.430 305 A N 0.097 122.940 122.820 0.037 0.000 1.969 305 A HA -0.181 4.139 4.320 0.000 0.000 0.218 305 A C 2.288 179.932 177.584 0.099 0.000 1.169 305 A CA 1.706 53.837 52.037 0.157 0.000 0.635 305 A CB -1.171 17.919 19.000 0.150 0.000 0.810 305 A HN 0.775 nan 8.150 nan 0.000 0.445 306 C N -0.554 118.754 119.300 0.013 0.000 2.539 306 C HA 0.435 4.895 4.460 0.000 0.000 0.268 306 C C 1.182 176.140 174.990 -0.053 0.000 1.395 306 C CA -0.085 58.926 59.018 -0.013 0.000 1.757 306 C CB -1.566 26.159 27.740 -0.025 0.000 1.851 306 C HN 0.627 nan 8.230 nan 0.000 0.545 307 R N -0.700 119.759 120.500 -0.069 0.000 2.912 307 R HA 0.596 4.936 4.340 0.000 0.000 0.262 307 R C -1.097 175.154 176.300 -0.081 0.000 1.057 307 R CA -0.625 55.425 56.100 -0.084 0.000 0.981 307 R CB 0.330 30.574 30.300 -0.094 0.000 1.201 307 R HN 0.018 nan 8.270 nan 0.000 0.484 308 Q N 1.853 121.603 119.800 -0.084 0.000 2.361 308 Q HA 0.307 4.648 4.340 0.000 0.000 0.250 308 Q C -2.082 173.882 176.000 -0.061 0.000 1.023 308 Q CA -1.752 54.009 55.803 -0.070 0.000 0.915 308 Q CB 1.336 30.027 28.738 -0.078 0.000 1.238 308 Q HN 0.463 nan 8.270 nan 0.000 0.451 309 P HA 0.369 nan 4.420 nan 0.000 0.279 309 P C -2.501 174.734 177.300 -0.108 0.000 1.276 309 P CA -1.882 61.210 63.100 -0.013 0.000 0.801 309 P CB -0.224 31.551 31.700 0.124 0.000 1.127 310 P HA -0.013 nan 4.420 nan 0.000 0.265 310 P C -0.525 176.653 177.300 -0.203 0.000 1.187 310 P CA 0.336 63.286 63.100 -0.249 0.000 0.766 310 P CB 0.048 31.462 31.700 -0.478 0.000 0.820 311 V N 4.858 124.666 119.914 -0.176 0.000 2.427 311 V HA 0.094 4.214 4.120 0.000 0.000 0.268 311 V C 0.491 176.490 176.094 -0.159 0.000 1.046 311 V CA -0.104 62.075 62.300 -0.202 0.000 0.970 311 V CB -0.932 30.836 31.823 -0.091 0.000 1.001 311 V HN 0.347 nan 8.190 nan 0.000 0.476 312 F N 2.946 122.778 119.950 -0.195 0.000 2.595 312 F HA 0.327 4.854 4.527 0.000 0.000 0.359 312 F C 1.156 176.902 175.800 -0.090 0.000 1.147 312 F CA 0.250 58.136 58.000 -0.191 0.000 1.341 312 F CB 0.309 39.053 39.000 -0.426 0.000 1.104 312 F HN 0.596 nan 8.300 nan 0.000 0.603 313 A N 3.023 125.942 122.820 0.165 0.000 2.511 313 A HA 0.068 4.388 4.320 0.000 0.000 0.242 313 A C 1.359 178.984 177.584 0.068 0.000 1.069 313 A CA -0.513 51.578 52.037 0.090 0.000 0.763 313 A CB 0.014 19.053 19.000 0.065 0.000 1.001 313 A HN 0.816 nan 8.150 nan 0.000 0.498 314 N N 0.809 119.539 118.700 0.050 0.000 2.205 314 N HA -0.168 4.572 4.740 0.000 0.000 0.186 314 N C 1.562 177.080 175.510 0.013 0.000 1.015 314 N CA 1.710 54.783 53.050 0.039 0.000 0.862 314 N CB -0.132 38.379 38.487 0.039 0.000 0.986 314 N HN 0.856 nan 8.380 nan 0.000 0.429 315 Q N -0.827 118.979 119.800 0.009 0.000 2.451 315 Q HA 0.105 4.445 4.340 0.000 0.000 0.206 315 Q C 1.392 177.377 176.000 -0.025 0.000 0.947 315 Q CA 0.509 56.310 55.803 -0.004 0.000 0.937 315 Q CB 0.125 28.863 28.738 0.001 0.000 1.025 315 Q HN 0.334 nan 8.270 nan 0.000 0.511 316 G N -0.173 108.606 108.800 -0.036 0.000 2.939 316 G HA2 0.160 4.120 3.960 0.000 0.000 0.210 316 G HA3 0.160 4.120 3.960 0.000 0.000 0.210 316 G C 0.287 175.088 174.900 -0.166 0.000 1.160 316 G CA 0.449 45.502 45.100 -0.078 0.000 0.770 316 G HN 0.218 nan 8.290 nan 0.000 0.543 317 V N -1.012 118.813 119.914 -0.149 0.000 3.019 317 V HA 0.737 4.858 4.120 0.000 0.000 0.317 317 V C 0.423 176.467 176.094 -0.082 0.000 1.094 317 V CA -1.925 60.270 62.300 -0.174 0.000 1.000 317 V CB 1.693 33.415 31.823 -0.168 0.000 1.060 317 V HN 0.291 nan 8.190 nan 0.000 0.443 318 I N 0.288 120.818 120.570 -0.068 0.000 2.938 318 I HA 0.314 4.484 4.170 0.000 0.000 0.285 318 I C 1.389 177.512 176.117 0.011 0.000 1.182 318 I CA -0.113 61.181 61.300 -0.010 0.000 1.388 318 I CB 0.140 38.161 38.000 0.034 0.000 1.390 318 I HN 0.673 nan 8.210 nan 0.000 0.600 319 N N 3.226 121.947 118.700 0.034 0.000 2.069 319 N HA -0.273 4.467 4.740 0.000 0.000 0.196 319 N C 1.504 177.063 175.510 0.082 0.000 1.024 319 N CA 2.066 55.146 53.050 0.051 0.000 0.869 319 N CB -0.494 38.022 38.487 0.048 0.000 1.035 319 N HN 0.703 nan 8.380 nan 0.000 0.434 320 Q N 0.013 119.886 119.800 0.123 0.000 2.364 320 Q HA 0.149 4.490 4.340 0.000 0.000 0.207 320 Q C 1.530 177.645 176.000 0.191 0.000 0.970 320 Q CA 1.142 57.073 55.803 0.214 0.000 0.888 320 Q CB -0.027 28.887 28.738 0.293 0.000 0.951 320 Q HN 0.414 nan 8.270 nan 0.000 0.469 321 A N -0.059 122.712 122.820 -0.082 0.000 2.275 321 A HA 0.063 4.383 4.320 0.000 0.000 0.212 321 A C 0.300 177.964 177.584 0.132 0.000 1.201 321 A CA -0.167 51.668 52.037 -0.338 0.000 0.843 321 A CB 0.141 18.681 19.000 -0.765 0.000 0.873 321 A HN 0.237 nan 8.150 nan 0.000 0.492 322 Q N 0.274 120.149 119.800 0.125 0.000 2.259 322 Q HA 0.257 4.597 4.340 0.000 0.000 0.246 322 Q C -0.354 175.712 176.000 0.110 0.000 0.920 322 Q CA -0.702 55.171 55.803 0.117 0.000 0.895 322 Q CB 0.463 29.246 28.738 0.075 0.000 1.220 322 Q HN 0.435 nan 8.270 nan 0.000 0.439 323 N N 1.026 119.775 118.700 0.082 0.000 2.754 323 N HA -0.177 4.563 4.740 0.000 0.000 0.248 323 N C -0.948 174.550 175.510 -0.020 0.000 1.093 323 N CA 0.721 53.793 53.050 0.037 0.000 0.699 323 N CB -0.676 37.831 38.487 0.033 0.000 1.016 323 N HN 0.452 nan 8.380 nan 0.000 0.552 324 R N 1.422 121.893 120.500 -0.047 0.000 2.196 324 R HA 0.341 4.682 4.340 0.000 0.000 0.340 324 R C -2.476 173.731 176.300 -0.156 0.000 1.043 324 R CA -1.653 54.276 56.100 -0.286 0.000 0.883 324 R CB 0.579 30.381 30.300 -0.829 0.000 1.078 324 R HN -0.081 nan 8.270 nan 0.000 0.462 325 P HA 0.040 nan 4.420 nan 0.000 0.258 325 P C 0.386 177.650 177.300 -0.061 0.000 1.172 325 P CA 1.312 64.364 63.100 -0.080 0.000 0.762 325 P CB 0.748 32.401 31.700 -0.078 0.000 0.764 326 G N 1.971 110.761 108.800 -0.017 0.000 2.217 326 G HA2 -0.346 3.614 3.960 0.000 0.000 0.246 326 G HA3 -0.346 3.614 3.960 0.000 0.000 0.246 326 G C 0.456 175.396 174.900 0.068 0.000 0.990 326 G CA 0.251 45.353 45.100 0.003 0.000 0.627 326 G HN 0.527 nan 8.290 nan 0.000 0.522 327 F N 1.653 121.553 119.950 -0.083 0.000 2.495 327 F HA 0.504 5.031 4.527 0.000 0.000 0.272 327 F C 1.063 176.923 175.800 0.101 0.000 0.919 327 F CA 1.516 59.518 58.000 0.003 0.000 1.178 327 F CB 0.663 39.626 39.000 -0.063 0.000 1.030 327 F HN 0.588 nan 8.300 nan 0.000 0.777 328 S N 1.192 117.003 115.700 0.185 0.000 2.588 328 S HA 0.774 5.244 4.470 0.000 0.000 0.275 328 S C -0.808 173.836 174.600 0.075 0.000 1.130 328 S CA -0.555 57.722 58.200 0.130 0.000 0.855 328 S CB 2.365 65.719 63.200 0.256 0.000 1.116 328 S HN 0.380 nan 8.310 nan 0.000 0.472 329 M N 0.159 119.793 119.600 0.057 0.000 2.694 329 M HA 0.537 5.018 4.480 0.000 0.000 0.276 329 M C -1.980 174.341 176.300 0.036 0.000 1.167 329 M CA -0.866 54.455 55.300 0.035 0.000 0.849 329 M CB 1.308 33.917 32.600 0.016 0.000 1.705 329 M HN 0.421 nan 8.290 nan 0.000 0.504 330 N N 1.295 120.012 118.700 0.028 0.000 2.452 330 N HA 0.353 5.093 4.740 0.000 0.000 0.266 330 N C 0.887 176.410 175.510 0.022 0.000 1.209 330 N CA 1.690 54.755 53.050 0.025 0.000 0.929 330 N CB 1.018 39.518 38.487 0.021 0.000 1.063 330 N HN 1.072 nan 8.380 nan 0.000 0.472 331 G N 1.005 109.820 108.800 0.026 0.000 2.132 331 G HA2 -0.190 3.771 3.960 0.000 0.000 0.228 331 G HA3 -0.190 3.771 3.960 0.000 0.000 0.228 331 G C 0.573 175.490 174.900 0.028 0.000 1.000 331 G CA -0.032 45.083 45.100 0.025 0.000 0.693 331 G HN 0.833 nan 8.290 nan 0.000 0.515 332 G N -0.863 107.959 108.800 0.037 0.000 2.535 332 G HA2 0.546 4.506 3.960 0.000 0.000 0.282 332 G HA3 0.546 4.506 3.960 0.000 0.000 0.282 332 G C 0.350 175.292 174.900 0.071 0.000 1.350 332 G CA 0.412 45.539 45.100 0.044 0.000 1.039 332 G HN 0.629 nan 8.290 nan 0.000 0.509 333 T N 2.763 117.381 114.554 0.106 0.000 2.799 333 T HA 0.340 4.691 4.350 0.000 0.000 0.296 333 T C -2.121 172.706 174.700 0.212 0.000 0.947 333 T CA -0.401 61.807 62.100 0.180 0.000 1.141 333 T CB 1.165 70.194 68.868 0.268 0.000 0.891 333 T HN 0.189 nan 8.240 nan 0.000 0.533 334 P HA 0.154 nan 4.420 nan 0.000 0.269 334 P C -0.725 176.580 177.300 0.008 0.000 1.215 334 P CA -0.423 62.662 63.100 -0.025 0.000 0.780 334 P CB 0.430 31.994 31.700 -0.227 0.000 0.898 335 V N 3.597 123.498 119.914 -0.021 0.000 2.304 335 V HA 0.142 4.262 4.120 0.000 0.000 0.269 335 V C 0.339 176.378 176.094 -0.092 0.000 1.036 335 V CA -0.291 62.034 62.300 0.042 0.000 0.840 335 V CB -0.812 31.031 31.823 0.033 0.000 1.036 335 V HN 0.546 nan 8.190 nan 0.000 0.466 336 H N 2.958 122.091 119.070 0.105 0.000 2.690 336 H HA 0.425 4.982 4.556 0.000 0.000 0.365 336 H C 0.438 175.799 175.328 0.055 0.000 1.142 336 H CA -0.067 56.014 56.048 0.054 0.000 1.417 336 H CB 0.773 30.546 29.762 0.018 0.000 1.446 336 H HN 0.790 nan 8.280 nan 0.000 0.599 337 E N 2.599 122.885 120.200 0.142 0.000 2.256 337 E HA 0.507 4.857 4.350 0.000 0.000 0.267 337 E C -1.498 175.131 176.600 0.048 0.000 0.892 337 E CA -0.896 55.544 56.400 0.068 0.000 0.775 337 E CB 1.714 31.418 29.700 0.007 0.000 1.207 337 E HN 0.410 nan 8.360 nan 0.000 0.420 338 L N 2.614 123.837 121.223 -0.000 0.000 2.376 338 L HA 0.356 4.696 4.340 0.000 0.000 0.275 338 L C -0.216 176.590 176.870 -0.107 0.000 0.987 338 L CA -1.096 53.727 54.840 -0.029 0.000 0.828 338 L CB 1.834 43.915 42.059 0.037 0.000 1.249 338 L HN 0.630 nan 8.230 nan 0.000 0.409 339 N N 3.730 122.392 118.700 -0.063 0.000 2.431 339 N HA 0.118 4.858 4.740 0.000 0.000 0.265 339 N C 0.870 176.356 175.510 -0.040 0.000 1.184 339 N CA -0.008 53.007 53.050 -0.059 0.000 0.943 339 N CB 1.196 39.673 38.487 -0.016 0.000 1.080 339 N HN 0.659 nan 8.380 nan 0.000 0.477 340 L N 3.151 124.346 121.223 -0.046 0.000 2.141 340 L HA -0.178 4.162 4.340 0.000 0.000 0.209 340 L C 2.092 178.984 176.870 0.037 0.000 1.094 340 L CA 0.686 55.538 54.840 0.019 0.000 0.763 340 L CB -0.290 41.803 42.059 0.057 0.000 0.908 340 L HN 0.501 nan 8.230 nan 0.000 0.437 341 L N -0.252 121.006 121.223 0.059 0.000 2.044 341 L HA -0.111 4.229 4.340 0.000 0.000 0.205 341 L C 2.445 179.313 176.870 -0.003 0.000 1.075 341 L CA 1.986 56.857 54.840 0.051 0.000 0.747 341 L CB -0.838 41.270 42.059 0.082 0.000 0.903 341 L HN 0.080 nan 8.230 nan 0.000 0.435 342 T N -0.940 113.612 114.554 -0.004 0.000 2.778 342 T HA -0.200 4.150 4.350 0.000 0.000 0.269 342 T C 1.705 176.363 174.700 -0.070 0.000 1.050 342 T CA 1.973 64.055 62.100 -0.030 0.000 1.137 342 T CB -0.603 68.254 68.868 -0.019 0.000 0.860 342 T HN 0.452 nan 8.240 nan 0.000 0.468 343 T N 1.492 115.996 114.554 -0.082 0.000 2.851 343 T HA 0.144 4.494 4.350 0.000 0.000 0.262 343 T C 2.467 177.024 174.700 -0.239 0.000 1.043 343 T CA 0.898 62.911 62.100 -0.144 0.000 1.140 343 T CB -0.479 68.329 68.868 -0.101 0.000 0.872 343 T HN 0.439 nan 8.240 nan 0.000 0.446 344 A N 1.625 124.317 122.820 -0.214 0.000 1.883 344 A HA -0.215 4.105 4.320 0.000 0.000 0.217 344 A C 2.251 179.700 177.584 -0.225 0.000 1.186 344 A CA 1.755 53.651 52.037 -0.234 0.000 0.624 344 A CB -0.705 18.228 19.000 -0.112 0.000 0.822 344 A HN 0.561 nan 8.150 nan 0.000 0.444 345 Q N -0.817 118.895 119.800 -0.147 0.000 2.084 345 Q HA -0.160 4.181 4.340 0.000 0.000 0.202 345 Q C 2.029 177.934 176.000 -0.158 0.000 0.978 345 Q CA 1.326 57.052 55.803 -0.128 0.000 0.844 345 Q CB -0.174 28.519 28.738 -0.075 0.000 0.898 345 Q HN 0.580 nan 8.270 nan 0.000 0.426 346 E N 0.334 120.438 120.200 -0.160 0.000 2.077 346 E HA -0.202 4.148 4.350 0.000 0.000 0.193 346 E C 2.129 178.581 176.600 -0.248 0.000 0.989 346 E CA 0.866 57.166 56.400 -0.167 0.000 0.800 346 E CB -0.593 29.024 29.700 -0.138 0.000 0.746 346 E HN 0.369 nan 8.360 nan 0.000 0.452 347 C N 0.740 119.827 119.300 -0.356 0.000 2.432 347 C HA -0.109 4.351 4.460 0.000 0.000 0.277 347 C C 2.761 177.275 174.990 -0.793 0.000 1.249 347 C CA 0.459 59.140 59.018 -0.562 0.000 1.725 347 C CB -1.147 26.206 27.740 -0.646 0.000 2.028 347 C HN 0.354 nan 8.230 nan 0.000 0.477 348 I N 0.630 120.825 120.570 -0.626 0.000 2.361 348 I HA -0.175 3.995 4.170 0.000 0.000 0.251 348 I C 2.874 178.896 176.117 -0.158 0.000 1.133 348 I CA 1.760 62.809 61.300 -0.418 0.000 1.413 348 I CB -0.592 37.276 38.000 -0.221 0.000 1.073 348 I HN 0.427 nan 8.210 nan 0.000 0.424 349 R N 0.501 120.911 120.500 -0.151 0.000 2.153 349 R HA -0.118 4.222 4.340 0.000 0.000 0.218 349 R C 2.068 178.350 176.300 -0.031 0.000 1.072 349 R CA 0.881 56.943 56.100 -0.064 0.000 0.990 349 R CB 0.055 30.315 30.300 -0.068 0.000 0.889 349 R HN 0.353 nan 8.270 nan 0.000 0.452 350 Q N -0.270 119.485 119.800 -0.075 0.000 2.083 350 Q HA -0.138 4.202 4.340 0.000 0.000 0.198 350 Q C 1.704 177.801 176.000 0.162 0.000 0.969 350 Q CA 1.081 56.884 55.803 0.000 0.000 0.838 350 Q CB -0.153 28.554 28.738 -0.051 0.000 0.900 350 Q HN 0.443 nan 8.270 nan 0.000 0.436 351 W N 0.261 121.554 121.300 -0.011 0.000 2.392 351 W HA -0.067 4.593 4.660 0.000 0.000 0.279 351 W C 2.126 178.634 176.519 -0.018 0.000 1.225 351 W CA 0.166 57.505 57.345 -0.011 0.000 1.233 351 W CB -0.936 28.525 29.460 0.002 0.000 1.122 351 W HN -0.073 nan 8.180 nan 0.000 0.561 352 V N 0.269 120.303 119.914 0.200 0.000 2.407 352 V HA -0.274 3.846 4.120 0.000 0.000 0.245 352 V C 2.231 178.365 176.094 0.067 0.000 1.041 352 V CA 1.637 64.001 62.300 0.107 0.000 1.040 352 V CB -0.657 31.206 31.823 0.067 0.000 0.671 352 V HN 0.031 nan 8.190 nan 0.000 0.455 353 M N 0.103 119.738 119.600 0.058 0.000 2.213 353 M HA -0.098 4.382 4.480 0.000 0.000 0.263 353 M C 2.007 178.325 176.300 0.031 0.000 1.062 353 M CA 1.927 57.247 55.300 0.033 0.000 1.105 353 M CB -0.434 32.179 32.600 0.021 0.000 1.385 353 M HN 0.356 nan 8.290 nan 0.000 0.417 354 A N -0.160 122.691 122.820 0.052 0.000 2.238 354 A HA 0.370 4.690 4.320 0.000 0.000 0.208 354 A C 1.620 179.204 177.584 0.001 0.000 1.177 354 A CA 0.650 52.702 52.037 0.025 0.000 0.804 354 A CB -0.967 18.058 19.000 0.042 0.000 0.823 354 A HN 0.650 nan 8.150 nan 0.000 0.482 355 G N -0.912 107.896 108.800 0.014 0.000 2.179 355 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 355 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 355 G C 0.706 175.594 174.900 -0.020 0.000 1.010 355 G CA 0.672 45.771 45.100 -0.002 0.000 0.736 355 G HN 0.485 nan 8.290 nan 0.000 0.513 356 L N -0.747 120.467 121.223 -0.015 0.000 2.341 356 L HA 0.291 4.632 4.340 0.000 0.000 0.214 356 L C 1.375 178.202 176.870 -0.072 0.000 1.115 356 L CA 1.184 55.971 54.840 -0.088 0.000 0.820 356 L CB 0.134 42.079 42.059 -0.190 0.000 0.944 356 L HN 0.483 nan 8.230 nan 0.000 0.452 357 V N -4.972 114.950 119.914 0.012 0.000 3.007 357 V HA 0.555 4.675 4.120 0.000 0.000 0.311 357 V C -0.015 176.099 176.094 0.035 0.000 1.120 357 V CA -1.038 61.278 62.300 0.028 0.000 0.980 357 V CB 1.528 33.408 31.823 0.097 0.000 1.033 357 V HN 0.080 nan 8.190 nan 0.000 0.429 358 S N 2.277 117.990 115.700 0.021 0.000 2.579 358 S HA 0.501 4.971 4.470 0.000 0.000 0.275 358 S C 1.468 176.086 174.600 0.029 0.000 1.345 358 S CA 0.149 58.360 58.200 0.018 0.000 1.031 358 S CB 1.230 64.435 63.200 0.009 0.000 0.892 358 S HN 2.158 nan 8.310 nan 0.000 0.529 359 A N 2.479 125.312 122.820 0.022 0.000 2.084 359 A HA 0.070 4.390 4.320 0.000 0.000 0.221 359 A C 2.266 179.862 177.584 0.021 0.000 1.161 359 A CA 1.803 53.854 52.037 0.022 0.000 0.653 359 A CB -1.414 17.595 19.000 0.014 0.000 0.802 359 A HN 1.351 nan 8.150 nan 0.000 0.457 360 A N -0.937 121.894 122.820 0.018 0.000 1.975 360 A HA 0.022 4.342 4.320 0.000 0.000 0.215 360 A C 2.088 179.685 177.584 0.022 0.000 1.170 360 A CA 1.380 53.427 52.037 0.016 0.000 0.656 360 A CB -0.266 18.740 19.000 0.011 0.000 0.821 360 A HN 0.428 nan 8.150 nan 0.000 0.449 361 K N -0.389 120.028 120.400 0.029 0.000 2.155 361 K HA -0.084 4.237 4.320 0.000 0.000 0.203 361 K C 1.955 178.589 176.600 0.057 0.000 1.052 361 K CA 1.032 57.343 56.287 0.040 0.000 0.948 361 K CB -0.310 32.215 32.500 0.041 0.000 0.728 361 K HN 0.439 nan 8.250 nan 0.000 0.448 362 G N 0.622 109.458 108.800 0.060 0.000 2.422 362 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 362 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 362 G C 1.298 176.218 174.900 0.033 0.000 1.140 362 G CA 0.249 45.386 45.100 0.062 0.000 0.775 362 G HN 0.342 nan 8.290 nan 0.000 0.545 363 Q N 0.069 119.884 119.800 0.025 0.000 2.083 363 Q HA 0.058 4.398 4.340 0.000 0.000 0.198 363 Q C 3.060 179.072 176.000 0.018 0.000 0.969 363 Q CA 1.024 56.837 55.803 0.016 0.000 0.838 363 Q CB -0.218 28.527 28.738 0.012 0.000 0.900 363 Q HN 0.452 nan 8.270 nan 0.000 0.436 364 A N 1.264 124.098 122.820 0.024 0.000 1.851 364 A HA -0.206 4.114 4.320 0.000 0.000 0.216 364 A C 2.099 179.700 177.584 0.029 0.000 1.195 364 A CA 1.305 53.357 52.037 0.025 0.000 0.622 364 A CB -0.962 18.053 19.000 0.025 0.000 0.831 364 A HN 0.304 nan 8.150 nan 0.000 0.444 365 L N -0.738 120.510 121.223 0.040 0.000 2.043 365 L HA -0.211 4.129 4.340 0.000 0.000 0.212 365 L C 2.779 179.663 176.870 0.022 0.000 1.075 365 L CA 1.902 56.769 54.840 0.044 0.000 0.752 365 L CB -0.904 41.204 42.059 0.082 0.000 0.891 365 L HN 0.389 nan 8.230 nan 0.000 0.432 366 T N -1.669 112.892 114.554 0.012 0.000 2.867 366 T HA -0.216 4.134 4.350 0.000 0.000 0.268 366 T C 1.842 176.548 174.700 0.011 0.000 1.057 366 T CA 1.102 63.201 62.100 -0.001 0.000 1.136 366 T CB -0.059 68.803 68.868 -0.009 0.000 0.874 366 T HN 0.181 nan 8.240 nan 0.000 0.466 367 Q N 1.384 121.194 119.800 0.016 0.000 2.096 367 Q HA -0.010 4.330 4.340 0.000 0.000 0.197 367 Q C 2.003 178.024 176.000 0.034 0.000 0.964 367 Q CA 1.492 57.307 55.803 0.020 0.000 0.838 367 Q CB -0.205 28.543 28.738 0.016 0.000 0.906 367 Q HN 0.592 nan 8.270 nan 0.000 0.444 368 E N -0.482 119.741 120.200 0.039 0.000 2.204 368 E HA -0.122 4.228 4.350 0.000 0.000 0.195 368 E C 1.692 178.348 176.600 0.094 0.000 0.990 368 E CA 0.924 57.358 56.400 0.057 0.000 0.821 368 E CB -0.107 29.615 29.700 0.037 0.000 0.750 368 E HN 0.424 nan 8.360 nan 0.000 0.477 369 A N 1.635 124.501 122.820 0.077 0.000 1.855 369 A HA -0.145 4.175 4.320 0.000 0.000 0.213 369 A C 1.833 179.493 177.584 0.127 0.000 1.195 369 A CA 1.047 53.153 52.037 0.114 0.000 0.610 369 A CB -0.350 18.681 19.000 0.052 0.000 0.837 369 A HN 0.095 nan 8.150 nan 0.000 0.444 370 N N 1.156 119.893 118.700 0.061 0.000 2.091 370 N HA -0.173 4.567 4.740 0.000 0.000 0.193 370 N C 1.111 176.635 175.510 0.023 0.000 1.021 370 N CA 1.809 54.875 53.050 0.027 0.000 0.862 370 N CB -0.516 37.974 38.487 0.006 0.000 1.018 370 N HN 0.475 nan 8.380 nan 0.000 0.429 371 D N -0.139 120.294 120.400 0.055 0.000 2.097 371 D HA -0.101 4.540 4.640 0.000 0.000 0.197 371 D C 1.727 178.072 176.300 0.075 0.000 0.984 371 D CA 0.495 54.526 54.000 0.050 0.000 0.826 371 D CB -0.569 40.270 40.800 0.065 0.000 0.973 371 D HN 0.228 nan 8.370 nan 0.000 0.460 372 F N 1.151 121.099 119.950 -0.004 0.000 2.216 372 F HA -0.151 4.376 4.527 0.000 0.000 0.300 372 F C 2.429 178.229 175.800 0.000 0.000 1.085 372 F CA 1.092 59.097 58.000 0.010 0.000 1.326 372 F CB -0.159 38.860 39.000 0.031 0.000 1.027 372 F HN -0.175 nan 8.300 nan 0.000 0.497 373 S N 0.184 115.821 115.700 -0.105 0.000 2.345 373 S HA -0.230 4.240 4.470 0.000 0.000 0.220 373 S C 1.968 176.380 174.600 -0.312 0.000 1.031 373 S CA 1.613 59.688 58.200 -0.208 0.000 0.996 373 S CB -0.642 62.521 63.200 -0.062 0.000 0.882 373 S HN 0.563 nan 8.310 nan 0.000 0.445 374 N N 0.995 119.558 118.700 -0.228 0.000 2.060 374 N HA -0.115 4.625 4.740 0.000 0.000 0.195 374 N C 1.702 177.064 175.510 -0.245 0.000 1.028 374 N CA 1.618 54.525 53.050 -0.238 0.000 0.861 374 N CB -0.496 37.903 38.487 -0.145 0.000 1.029 374 N HN 0.401 nan 8.380 nan 0.000 0.428 375 L N -0.121 120.967 121.223 -0.225 0.000 1.989 375 L HA -0.138 4.202 4.340 0.000 0.000 0.211 375 L C 1.868 178.592 176.870 -0.243 0.000 1.071 375 L CA 1.072 55.792 54.840 -0.200 0.000 0.749 375 L CB -0.250 41.710 42.059 -0.165 0.000 0.890 375 L HN 0.257 nan 8.230 nan 0.000 0.431 376 I N -0.481 119.850 120.570 -0.399 0.000 2.315 376 I HA -0.280 3.890 4.170 0.000 0.000 0.248 376 I C 2.444 178.444 176.117 -0.195 0.000 1.117 376 I CA 1.350 62.466 61.300 -0.308 0.000 1.404 376 I CB -1.124 36.589 38.000 -0.479 0.000 1.071 376 I HN 0.537 nan 8.210 nan 0.000 0.419 377 Q N 1.052 120.631 119.800 -0.369 0.000 2.167 377 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 377 Q C 2.241 178.068 176.000 -0.288 0.000 0.970 377 Q CA 1.669 57.113 55.803 -0.599 0.000 0.855 377 Q CB 0.098 28.095 28.738 -1.236 0.000 0.911 377 Q HN 0.434 nan 8.270 nan 0.000 0.438 378 A N 0.482 123.175 122.820 -0.212 0.000 1.897 378 A HA -0.188 4.132 4.320 0.000 0.000 0.215 378 A C 1.628 179.203 177.584 -0.014 0.000 1.181 378 A CA 1.650 53.626 52.037 -0.103 0.000 0.620 378 A CB -0.630 18.312 19.000 -0.098 0.000 0.821 378 A HN 0.567 nan 8.150 nan 0.000 0.443 379 D N -0.354 120.048 120.400 0.004 0.000 2.084 379 D HA -0.083 4.557 4.640 0.000 0.000 0.196 379 D C 1.919 178.313 176.300 0.158 0.000 0.985 379 D CA 1.184 55.238 54.000 0.090 0.000 0.826 379 D CB -0.099 40.786 40.800 0.143 0.000 0.978 379 D HN 0.377 nan 8.370 nan 0.000 0.456 380 L N -0.149 121.162 121.223 0.148 0.000 2.083 380 L HA -0.017 4.323 4.340 0.000 0.000 0.209 380 L C 2.579 179.659 176.870 0.351 0.000 1.083 380 L CA 1.210 56.169 54.840 0.198 0.000 0.752 380 L CB -0.681 41.416 42.059 0.064 0.000 0.899 380 L HN 0.177 nan 8.230 nan 0.000 0.433 381 G N -1.160 107.828 108.800 0.313 0.000 2.450 381 G HA2 -0.297 3.663 3.960 0.000 0.000 0.220 381 G HA3 -0.297 3.663 3.960 0.000 0.000 0.220 381 G C 1.545 176.532 174.900 0.145 0.000 1.130 381 G CA 0.513 45.778 45.100 0.275 0.000 0.760 381 G HN 0.363 nan 8.290 nan 0.000 0.557 382 Q N -0.348 119.520 119.800 0.112 0.000 2.089 382 Q HA 0.063 4.403 4.340 0.000 0.000 0.195 382 Q C 2.682 178.730 176.000 0.079 0.000 0.963 382 Q CA 0.342 56.188 55.803 0.072 0.000 0.834 382 Q CB -0.106 28.664 28.738 0.054 0.000 0.906 382 Q HN 0.521 nan 8.270 nan 0.000 0.452 383 I N 1.389 122.030 120.570 0.118 0.000 2.113 383 I HA -0.407 3.763 4.170 0.000 0.000 0.242 383 I C 2.647 178.818 176.117 0.089 0.000 1.057 383 I CA 1.795 63.173 61.300 0.129 0.000 1.314 383 I CB -0.371 37.742 38.000 0.189 0.000 1.022 383 I HN 0.247 nan 8.210 nan 0.000 0.408 384 K N 1.122 121.563 120.400 0.069 0.000 1.985 384 K HA -0.225 4.095 4.320 0.000 0.000 0.210 384 K C 2.241 178.797 176.600 -0.074 0.000 1.047 384 K CA 1.654 57.877 56.287 -0.106 0.000 0.932 384 K CB -0.242 32.029 32.500 -0.381 0.000 0.716 384 K HN 0.281 nan 8.250 nan 0.000 0.439 385 A N 2.045 124.846 122.820 -0.031 0.000 1.881 385 A HA -0.320 4.000 4.320 0.000 0.000 0.219 385 A C 2.141 179.714 177.584 -0.019 0.000 1.215 385 A CA 2.457 54.481 52.037 -0.023 0.000 0.648 385 A CB -1.095 17.903 19.000 -0.002 0.000 0.832 385 A HN 0.759 nan 8.150 nan 0.000 0.455 386 Q N -1.788 118.011 119.800 -0.002 0.000 2.378 386 Q HA -0.122 4.218 4.340 0.000 0.000 0.205 386 Q C 0.912 176.898 176.000 -0.024 0.000 0.954 386 Q CA 1.370 57.162 55.803 -0.019 0.000 0.901 386 Q CB -0.266 28.470 28.738 -0.004 0.000 0.981 386 Q HN 0.528 nan 8.270 nan 0.000 0.483 387 D N 1.571 122.006 120.400 0.059 0.000 2.137 387 D HA -0.107 4.533 4.640 0.000 0.000 0.202 387 D C 1.277 177.651 176.300 0.124 0.000 0.970 387 D CA 1.078 55.191 54.000 0.188 0.000 0.837 387 D CB -0.095 40.813 40.800 0.181 0.000 0.981 387 D HN 0.242 nan 8.370 nan 0.000 0.475 388 D N 0.285 120.708 120.400 0.038 0.000 2.097 388 D HA -0.107 4.534 4.640 0.000 0.000 0.195 388 D C 1.948 178.278 176.300 0.049 0.000 0.989 388 D CA 1.353 55.380 54.000 0.044 0.000 0.827 388 D CB -0.321 40.465 40.800 -0.022 0.000 0.966 388 D HN 0.139 nan 8.370 nan 0.000 0.456 389 A N 0.722 123.531 122.820 -0.018 0.000 1.845 389 A HA -0.116 4.204 4.320 0.000 0.000 0.215 389 A C 2.414 179.928 177.584 -0.117 0.000 1.195 389 A CA 0.992 52.996 52.037 -0.055 0.000 0.616 389 A CB -0.907 18.053 19.000 -0.068 0.000 0.832 389 A HN 0.211 nan 8.150 nan 0.000 0.443 390 L N -1.962 119.108 121.223 -0.256 0.000 2.131 390 L HA -0.186 4.154 4.340 0.000 0.000 0.210 390 L C 2.585 179.227 176.870 -0.381 0.000 1.092 390 L CA 1.694 56.215 54.840 -0.532 0.000 0.759 390 L CB -0.564 40.798 42.059 -1.162 0.000 0.903 390 L HN 0.671 nan 8.230 nan 0.000 0.435 391 Y N 0.667 120.871 120.300 -0.159 0.000 2.200 391 Y HA -0.245 4.305 4.550 0.000 0.000 0.290 391 Y C 2.561 178.485 175.900 0.040 0.000 1.137 391 Y CA 1.628 59.806 58.100 0.130 0.000 1.163 391 Y CB -0.138 38.449 38.460 0.213 0.000 0.988 391 Y HN 0.175 nan 8.280 nan 0.000 0.518 392 N N 0.024 118.691 118.700 -0.055 0.000 2.058 392 N HA -0.212 4.528 4.740 0.000 0.000 0.191 392 N C 1.645 177.067 175.510 -0.145 0.000 1.037 392 N CA 1.947 54.916 53.050 -0.133 0.000 0.848 392 N CB -0.135 38.337 38.487 -0.026 0.000 1.021 392 N HN 0.478 nan 8.380 nan 0.000 0.422 393 Q N 0.184 119.913 119.800 -0.117 0.000 2.212 393 Q HA 0.094 4.434 4.340 0.000 0.000 0.199 393 Q C 0.367 176.309 176.000 -0.097 0.000 0.950 393 Q CA 0.631 56.374 55.803 -0.100 0.000 0.863 393 Q CB 0.355 29.038 28.738 -0.092 0.000 0.944 393 Q HN 0.275 nan 8.270 nan 0.000 0.465 394 Q N 0.933 120.669 119.800 -0.107 0.000 2.381 394 Q HA 0.303 4.643 4.340 0.000 0.000 0.263 394 Q C -2.489 173.501 176.000 -0.018 0.000 1.030 394 Q CA -2.470 53.297 55.803 -0.061 0.000 0.772 394 Q CB 1.213 29.907 28.738 -0.073 0.000 1.232 394 Q HN -0.078 nan 8.270 nan 0.000 0.476 395 P HA -0.037 nan 4.420 nan 0.000 0.261 395 P C 0.309 177.633 177.300 0.041 0.000 1.173 395 P CA 1.497 64.591 63.100 -0.011 0.000 0.760 395 P CB 0.512 32.202 31.700 -0.018 0.000 0.783 396 G N 1.927 110.762 108.800 0.058 0.000 2.143 396 G HA2 -0.306 3.654 3.960 0.000 0.000 0.249 396 G HA3 -0.306 3.654 3.960 0.000 0.000 0.249 396 G C -0.094 174.866 174.900 0.100 0.000 0.981 396 G CA -0.435 44.711 45.100 0.076 0.000 0.665 396 G HN 0.549 nan 8.290 nan 0.000 0.528 397 Y N 1.481 121.794 120.300 0.021 0.000 2.544 397 Y HA 0.447 4.997 4.550 0.000 0.000 0.330 397 Y C 0.673 176.616 175.900 0.072 0.000 1.136 397 Y CA -0.281 57.850 58.100 0.051 0.000 1.417 397 Y CB 0.565 39.072 38.460 0.079 0.000 1.229 397 Y HN 0.616 nan 8.280 nan 0.000 0.532 398 A N 8.287 130.688 122.820 -0.699 0.000 2.316 398 A HA 0.416 4.736 4.320 0.000 0.000 0.311 398 A C 0.115 177.221 177.584 -0.797 0.000 1.339 398 A CA -0.758 50.924 52.037 -0.591 0.000 0.960 398 A CB -0.036 18.723 19.000 -0.402 0.000 1.152 398 A HN 0.897 nan 8.150 nan 0.000 0.547 399 R N 1.378 121.653 120.500 -0.375 0.000 2.643 399 R HA 0.170 4.510 4.340 0.000 0.000 0.270 399 R C 0.679 176.960 176.300 -0.030 0.000 1.061 399 R CA 0.021 56.045 56.100 -0.127 0.000 1.107 399 R CB 0.749 31.079 30.300 0.051 0.000 0.999 399 R HN 0.786 nan 8.270 nan 0.000 0.460 400 R N 1.327 121.837 120.500 0.017 0.000 2.206 400 R HA 0.190 4.530 4.340 0.000 0.000 0.198 400 R C 0.543 176.899 176.300 0.093 0.000 0.986 400 R CA 0.614 56.742 56.100 0.047 0.000 1.029 400 R CB 0.229 30.565 30.300 0.059 0.000 0.966 400 R HN 0.561 nan 8.270 nan 0.000 0.487 401 I N -3.372 117.218 120.570 0.034 0.000 3.006 401 I HA 0.357 4.527 4.170 0.000 0.000 0.306 401 I C -1.115 174.722 176.117 -0.467 0.000 1.250 401 I CA -1.441 59.814 61.300 -0.076 0.000 0.996 401 I CB 2.005 39.967 38.000 -0.063 0.000 1.261 401 I HN -0.285 nan 8.210 nan 0.000 0.442 402 K N 3.227 123.229 120.400 -0.663 0.000 2.451 402 K HA 0.294 4.614 4.320 0.000 0.000 0.280 402 K C -2.310 174.057 176.600 -0.388 0.000 1.020 402 K CA -0.884 54.768 56.287 -1.059 0.000 1.008 402 K CB 0.321 32.642 32.500 -0.298 0.000 0.917 402 K HN 0.392 nan 8.250 nan 0.000 0.478 403 P HA -0.009 nan 4.420 nan 0.000 0.266 403 P C -1.063 176.221 177.300 -0.028 0.000 1.195 403 P CA 0.259 63.238 63.100 -0.200 0.000 0.768 403 P CB 0.206 31.804 31.700 -0.171 0.000 0.838 404 F N 0.732 120.619 119.950 -0.105 0.000 2.692 404 F HA 0.750 5.277 4.527 0.000 0.000 0.320 404 F C -1.073 174.685 175.800 -0.070 0.000 1.123 404 F CA -1.558 56.385 58.000 -0.095 0.000 0.961 404 F CB 0.696 39.610 39.000 -0.143 0.000 1.383 404 F HN 0.177 nan 8.300 nan 0.000 0.483 405 V N -0.447 119.567 119.914 0.167 0.000 2.769 405 V HA 0.484 4.604 4.120 0.000 0.000 0.312 405 V C 0.252 176.491 176.094 0.241 0.000 1.058 405 V CA -0.810 61.540 62.300 0.083 0.000 0.952 405 V CB 1.443 33.293 31.823 0.045 0.000 1.019 405 V HN 0.884 nan 8.190 nan 0.000 0.445 406 N N 2.946 121.773 118.700 0.212 0.000 2.272 406 N HA -0.088 4.652 4.740 0.000 0.000 0.185 406 N C 1.801 177.487 175.510 0.293 0.000 1.014 406 N CA 1.753 55.015 53.050 0.353 0.000 0.870 406 N CB -0.279 38.369 38.487 0.268 0.000 0.975 406 N HN 1.008 nan 8.380 nan 0.000 0.433 407 G N 0.405 109.299 108.800 0.156 0.000 2.509 407 G HA2 -0.182 3.779 3.960 0.000 0.000 0.218 407 G HA3 -0.182 3.779 3.960 0.000 0.000 0.218 407 G C 1.055 175.993 174.900 0.064 0.000 1.124 407 G CA 0.323 45.488 45.100 0.109 0.000 0.776 407 G HN 0.197 nan 8.290 nan 0.000 0.547 408 D N -0.051 120.342 120.400 -0.012 0.000 2.309 408 D HA -0.067 4.574 4.640 0.000 0.000 0.212 408 D C 1.538 177.709 176.300 -0.215 0.000 0.968 408 D CA 0.441 54.342 54.000 -0.164 0.000 0.882 408 D CB -0.185 40.435 40.800 -0.299 0.000 0.918 408 D HN 0.662 nan 8.370 nan 0.000 0.503 409 W N 1.088 122.380 121.300 -0.012 0.000 3.047 409 W HA 0.023 4.683 4.660 0.000 0.000 0.250 409 W C 1.076 177.578 176.519 -0.028 0.000 1.314 409 W CA 0.021 57.343 57.345 -0.038 0.000 1.540 409 W CB -0.103 29.339 29.460 -0.030 0.000 1.127 409 W HN -0.171 nan 8.180 nan 0.000 0.679 410 T N -2.722 111.937 114.554 0.175 0.000 2.882 410 T HA 0.168 4.518 4.350 0.000 0.000 0.287 410 T C -1.647 173.088 174.700 0.059 0.000 1.014 410 T CA -1.608 60.554 62.100 0.103 0.000 1.049 410 T CB 1.617 70.528 68.868 0.072 0.000 1.001 410 T HN -0.301 nan 8.240 nan 0.000 0.525 411 P HA 0.020 nan 4.420 nan 0.000 0.216 411 P C 1.416 178.721 177.300 0.009 0.000 1.150 411 P CA 1.928 65.040 63.100 0.020 0.000 0.837 411 P CB -0.599 31.110 31.700 0.014 0.000 0.786 412 G N -0.513 108.295 108.800 0.013 0.000 2.660 412 G HA2 -0.380 3.580 3.960 0.000 0.000 0.321 412 G HA3 -0.380 3.580 3.960 0.000 0.000 0.321 412 G C 0.666 175.572 174.900 0.011 0.000 1.246 412 G CA 0.836 45.942 45.100 0.009 0.000 1.000 412 G HN 0.333 nan 8.290 nan 0.000 0.550 413 M N 1.447 121.055 119.600 0.013 0.000 2.560 413 M HA 0.317 4.797 4.480 0.000 0.000 0.297 413 M C 2.075 178.392 176.300 0.027 0.000 1.201 413 M CA 1.245 56.561 55.300 0.026 0.000 0.973 413 M CB 0.271 32.894 32.600 0.039 0.000 1.401 413 M HN 0.532 nan 8.290 nan 0.000 0.497 414 T N 0.216 114.776 114.554 0.010 0.000 2.649 414 T HA -0.281 4.069 4.350 0.000 0.000 0.268 414 T C 1.860 176.552 174.700 -0.013 0.000 1.036 414 T CA 2.001 64.099 62.100 -0.002 0.000 1.157 414 T CB -0.342 68.517 68.868 -0.014 0.000 0.861 414 T HN 0.612 nan 8.240 nan 0.000 0.445 415 A N 1.118 123.930 122.820 -0.012 0.000 1.908 415 A HA -0.217 4.103 4.320 0.000 0.000 0.218 415 A C 2.316 179.884 177.584 -0.027 0.000 1.181 415 A CA 1.927 53.950 52.037 -0.023 0.000 0.627 415 A CB -0.733 18.259 19.000 -0.014 0.000 0.818 415 A HN 0.464 nan 8.150 nan 0.000 0.445 416 Q N -0.309 119.489 119.800 -0.003 0.000 2.124 416 Q HA 0.042 4.382 4.340 0.000 0.000 0.202 416 Q C 2.284 178.258 176.000 -0.043 0.000 0.977 416 Q CA 1.793 57.601 55.803 0.008 0.000 0.850 416 Q CB -0.619 28.159 28.738 0.067 0.000 0.901 416 Q HN 0.666 nan 8.270 nan 0.000 0.429 417 A N 0.179 122.978 122.820 -0.034 0.000 1.898 417 A HA -0.096 4.224 4.320 0.000 0.000 0.216 417 A C 2.020 179.481 177.584 -0.205 0.000 1.181 417 A CA 0.956 52.911 52.037 -0.137 0.000 0.620 417 A CB -0.632 18.363 19.000 -0.008 0.000 0.819 417 A HN 0.334 nan 8.150 nan 0.000 0.442 418 L N -0.749 120.396 121.223 -0.130 0.000 2.083 418 L HA -0.211 4.129 4.340 0.000 0.000 0.209 418 L C 3.078 179.857 176.870 -0.152 0.000 1.083 418 L CA 1.099 55.856 54.840 -0.140 0.000 0.752 418 L CB -0.572 41.428 42.059 -0.099 0.000 0.899 418 L HN 0.457 nan 8.230 nan 0.000 0.433 419 A N -0.447 122.299 122.820 -0.124 0.000 1.898 419 A HA -0.117 4.203 4.320 0.000 0.000 0.216 419 A C 2.305 179.813 177.584 -0.127 0.000 1.181 419 A CA 1.527 53.504 52.037 -0.100 0.000 0.620 419 A CB -0.657 18.307 19.000 -0.060 0.000 0.819 419 A HN 0.196 nan 8.150 nan 0.000 0.442 420 V N -0.021 119.774 119.914 -0.198 0.000 2.453 420 V HA -0.189 3.931 4.120 0.000 0.000 0.247 420 V C 2.478 178.376 176.094 -0.326 0.000 1.048 420 V CA 1.718 63.884 62.300 -0.223 0.000 1.049 420 V CB -0.647 30.940 31.823 -0.394 0.000 0.672 420 V HN 0.550 nan 8.190 nan 0.000 0.457 421 L N 0.119 121.039 121.223 -0.504 0.000 2.217 421 L HA -0.051 4.289 4.340 0.000 0.000 0.211 421 L C 2.662 179.310 176.870 -0.371 0.000 1.107 421 L CA 1.162 55.560 54.840 -0.738 0.000 0.783 421 L CB -0.711 40.995 42.059 -0.589 0.000 0.919 421 L HN 0.341 nan 8.230 nan 0.000 0.442 422 A N 0.100 122.791 122.820 -0.215 0.000 2.019 422 A HA -0.201 4.119 4.320 0.000 0.000 0.219 422 A C 2.274 179.816 177.584 -0.071 0.000 1.164 422 A CA 2.019 53.986 52.037 -0.118 0.000 0.644 422 A CB -0.864 18.081 19.000 -0.092 0.000 0.805 422 A HN 0.500 nan 8.150 nan 0.000 0.449 423 T N -4.404 110.123 114.554 -0.044 0.000 3.194 423 T HA 0.119 4.469 4.350 0.000 0.000 0.251 423 T C 0.917 175.485 174.700 -0.220 0.000 1.132 423 T CA 0.301 62.379 62.100 -0.038 0.000 1.028 423 T CB -0.555 68.335 68.868 0.037 0.000 0.976 423 T HN 0.179 nan 8.240 nan 0.000 0.535 424 F N 2.674 122.323 119.950 -0.502 0.000 2.743 424 F HA 0.205 4.732 4.527 0.000 0.000 0.297 424 F C 2.273 177.808 175.800 -0.442 0.000 1.131 424 F CA 0.164 57.739 58.000 -0.708 0.000 1.426 424 F CB -0.237 38.566 39.000 -0.329 0.000 1.116 424 F HN 0.377 nan 8.300 nan 0.000 0.583 425 T N -2.540 111.953 114.554 -0.102 0.000 3.145 425 T HA 0.633 4.983 4.350 0.000 0.000 0.255 425 T C 0.655 175.346 174.700 -0.016 0.000 1.039 425 T CA 0.131 62.208 62.100 -0.038 0.000 0.928 425 T CB -0.354 68.503 68.868 -0.018 0.000 1.029 425 T HN 0.042 nan 8.240 nan 0.000 0.554 426 A N 0.000 122.803 122.820 -0.028 0.000 2.254 426 A HA 0.000 4.320 4.320 0.000 0.000 0.244 426 A CA 0.000 52.077 52.037 0.066 0.000 0.836 426 A CB 0.000 19.029 19.000 0.048 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486