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 2jf6_1_A DATA FIRST_RESID 37 DATA SEQUENCE VVHRRDFPQD FIFGAGGSAY QCEGAYNEGN RGPSIWDTFT QRSPAKISDG DATA SEQUENCE SNGNQXINCY HMYKEDIKIM KQTGLESYRF SISWSRVLPG GRLAAGVNKD DATA SEQUENCE GVKFYHDFID ELLANGIKPS VTLFHWDLPQ ALEDEYGGFL SHRIVDDFCE DATA SEQUENCE YAEFCFWEFG DKIKYWTTFN EPHTFAVNGY ALGEFAPGRG GKGDEGDPAI DATA SEQUENCE EPYVVTHNIL LAHKAAVEEY RNKFQKCQEG EIGIVLNSMW MEPLSDVQAD DATA SEQUENCE IDAQKRALDF MLGWFLEPLT TGDYPKSMRE LVKGRLPKFS ADDSEKLKGC DATA SEQUENCE YDFIGMNYYT ATYVTNAXXX XXXXLSYETD DQVTKTFERN QKPIGHALYG DATA SEQUENCE GWQHVVPWGL YKLLVYTKET YHVPVLYVTE SGMVEENKTK ILLSEARRDA DATA SEQUENCE ERTDYHQKHL ASVRDAIDDG VNVKGYFVWS FFDNFEWNLG YICRYGIIHV DATA SEQUENCE DYKSFERYPK ESAIWYKNFI AG 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 37 V HA 0.000 nan 4.120 nan 0.000 0.244 37 V C 0.000 176.206 176.094 0.187 0.000 1.182 37 V CA 0.000 62.388 62.300 0.147 0.000 1.235 37 V CB 0.000 31.879 31.823 0.094 0.000 1.184 38 V N 3.232 123.320 119.914 0.290 0.000 2.859 38 V HA 0.672 4.792 4.120 -0.000 0.000 0.257 38 V C -1.650 174.746 176.094 0.504 0.000 1.691 38 V CA 0.085 62.617 62.300 0.387 0.000 0.901 38 V CB 2.061 34.068 31.823 0.306 0.000 1.246 38 V HN 1.009 nan 8.190 nan 0.000 0.466 39 H N 4.097 123.393 119.070 0.377 0.000 2.812 39 H HA 0.654 5.210 4.556 -0.000 0.000 0.355 39 H C 0.960 176.316 175.328 0.045 0.000 1.207 39 H CA -0.301 55.882 56.048 0.225 0.000 1.217 39 H CB 1.252 31.053 29.762 0.065 0.000 1.874 39 H HN 0.572 nan 8.280 nan 0.000 0.581 40 R N 0.982 121.260 120.500 -0.370 0.000 2.083 40 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 40 R C 1.795 178.111 176.300 0.027 0.000 1.137 40 R CA 1.946 57.717 56.100 -0.548 0.000 0.951 40 R CB -0.120 29.818 30.300 -0.603 0.000 0.851 40 R HN 0.736 nan 8.270 nan 0.000 0.434 41 R N 0.363 120.886 120.500 0.037 0.000 2.139 41 R HA -0.122 4.218 4.340 -0.000 0.000 0.243 41 R C 1.084 177.433 176.300 0.082 0.000 1.145 41 R CA 1.785 57.919 56.100 0.057 0.000 0.976 41 R CB -0.662 29.643 30.300 0.008 0.000 0.866 41 R HN 0.135 nan 8.270 nan 0.000 0.449 42 D N 0.006 120.462 120.400 0.093 0.000 2.407 42 D HA -0.005 4.634 4.640 -0.000 0.000 0.234 42 D C -0.484 175.586 176.300 -0.384 0.000 1.029 42 D CA 0.867 54.786 54.000 -0.135 0.000 0.937 42 D CB -0.171 40.499 40.800 -0.216 0.000 0.882 42 D HN 0.156 nan 8.370 nan 0.000 0.531 43 F N -0.604 119.350 119.950 0.007 0.000 2.576 43 F HA 0.353 4.879 4.527 -0.000 0.000 0.313 43 F C -1.942 173.893 175.800 0.059 0.000 1.078 43 F CA -2.805 55.181 58.000 -0.023 0.000 0.921 43 F CB 1.416 40.355 39.000 -0.101 0.000 1.232 43 F HN -0.387 nan 8.300 nan 0.000 0.459 44 P HA -0.105 nan 4.420 nan 0.000 0.266 44 P C 0.382 177.832 177.300 0.251 0.000 1.180 44 P CA 0.384 63.631 63.100 0.246 0.000 0.765 44 P CB 0.635 32.520 31.700 0.309 0.000 0.806 45 Q N 2.749 122.652 119.800 0.170 0.000 2.197 45 Q HA -0.235 4.105 4.340 -0.000 0.000 0.207 45 Q C 1.321 177.425 176.000 0.173 0.000 0.984 45 Q CA 2.307 58.198 55.803 0.147 0.000 0.869 45 Q CB -0.429 28.368 28.738 0.098 0.000 0.906 45 Q HN 0.560 nan 8.270 nan 0.000 0.426 46 D N -1.460 119.048 120.400 0.181 0.000 2.354 46 D HA -0.103 4.536 4.640 -0.000 0.000 0.209 46 D C -0.041 176.361 176.300 0.169 0.000 1.015 46 D CA -0.369 53.724 54.000 0.154 0.000 0.867 46 D CB -0.534 40.334 40.800 0.113 0.000 0.933 46 D HN 0.235 nan 8.370 nan 0.000 0.520 47 F N 1.356 121.353 119.950 0.078 0.000 2.623 47 F HA 0.082 4.608 4.527 -0.000 0.000 0.386 47 F C 0.580 176.329 175.800 -0.085 0.000 1.068 47 F CA 0.246 58.243 58.000 -0.005 0.000 1.265 47 F CB 0.350 39.358 39.000 0.014 0.000 1.026 47 F HN -0.164 nan 8.300 nan 0.000 0.568 48 I N 6.670 127.059 120.570 -0.300 0.000 2.353 48 I HA 0.168 4.338 4.170 -0.000 0.000 0.293 48 I C -0.787 175.102 176.117 -0.379 0.000 0.992 48 I CA -0.475 60.714 61.300 -0.185 0.000 1.268 48 I CB 0.773 38.679 38.000 -0.156 0.000 1.387 48 I HN 0.354 nan 8.210 nan 0.000 0.478 49 F N 4.359 124.281 119.950 -0.047 0.000 2.415 49 F HA 0.662 5.189 4.527 -0.000 0.000 0.348 49 F C 0.782 176.374 175.800 -0.346 0.000 1.119 49 F CA -0.193 57.761 58.000 -0.078 0.000 1.069 49 F CB 1.706 40.741 39.000 0.058 0.000 1.124 49 F HN 0.423 nan 8.300 nan 0.000 0.472 50 G N 0.718 109.256 108.800 -0.435 0.000 2.827 50 G HA2 0.849 4.809 3.960 -0.000 0.000 0.296 50 G HA3 0.849 4.809 3.960 -0.000 0.000 0.296 50 G C -1.997 172.970 174.900 0.113 0.000 1.362 50 G CA -0.563 44.265 45.100 -0.453 0.000 0.809 50 G HN 0.878 nan 8.290 nan 0.000 0.522 51 A N -2.080 121.001 122.820 0.435 0.000 2.588 51 A HA 0.990 5.309 4.320 -0.000 0.000 0.290 51 A C -0.230 177.692 177.584 0.563 0.000 1.136 51 A CA 0.067 52.443 52.037 0.566 0.000 0.681 51 A CB 1.463 20.831 19.000 0.613 0.000 1.282 51 A HN 2.139 nan 8.150 nan 0.000 0.421 52 G N -1.739 107.321 108.800 0.434 0.000 2.680 52 G HA2 0.788 4.748 3.960 -0.000 0.000 0.290 52 G HA3 0.788 4.748 3.960 -0.000 0.000 0.290 52 G C -0.270 174.681 174.900 0.086 0.000 1.355 52 G CA 0.009 45.205 45.100 0.159 0.000 0.903 52 G HN 1.685 nan 8.290 nan 0.000 0.474 53 G N -1.647 107.189 108.800 0.060 0.000 3.021 53 G HA2 0.657 4.617 3.960 -0.000 0.000 0.290 53 G HA3 0.657 4.617 3.960 -0.000 0.000 0.290 53 G C -1.235 173.855 174.900 0.317 0.000 1.291 53 G CA -0.099 45.103 45.100 0.170 0.000 0.834 53 G HN 1.333 nan 8.290 nan 0.000 0.564 54 S N -1.648 114.172 115.700 0.199 0.000 2.584 54 S HA 0.509 4.979 4.470 -0.000 0.000 0.282 54 S C 0.916 175.527 174.600 0.018 0.000 1.138 54 S CA 0.643 58.852 58.200 0.014 0.000 0.987 54 S CB 0.748 63.739 63.200 -0.349 0.000 1.137 54 S HN 1.920 nan 8.310 nan 0.000 0.457 55 A N 4.021 126.923 122.820 0.135 0.000 1.826 55 A HA -0.291 4.029 4.320 -0.000 0.000 0.267 55 A C 1.641 179.266 177.584 0.068 0.000 2.510 55 A CA 2.959 55.098 52.037 0.170 0.000 0.865 55 A CB -1.695 17.462 19.000 0.260 0.000 0.830 55 A HN 1.230 nan 8.150 nan 0.000 0.508 56 Y N 1.063 121.308 120.300 -0.093 0.000 2.274 56 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 56 Y C 2.592 178.289 175.900 -0.339 0.000 1.145 56 Y CA 2.209 60.202 58.100 -0.179 0.000 1.203 56 Y CB -0.348 38.040 38.460 -0.119 0.000 0.984 56 Y HN 0.593 nan 8.280 nan 0.000 0.533 57 Q N -2.426 117.115 119.800 -0.431 0.000 2.451 57 Q HA -0.019 4.321 4.340 -0.000 0.000 0.206 57 Q C 1.667 177.546 176.000 -0.202 0.000 0.947 57 Q CA 0.922 56.461 55.803 -0.440 0.000 0.937 57 Q CB 0.184 28.635 28.738 -0.480 0.000 1.025 57 Q HN 0.465 nan 8.270 nan 0.000 0.511 58 C N -0.781 118.435 119.300 -0.141 0.000 2.646 58 C HA 0.095 4.555 4.460 -0.000 0.000 0.428 58 C C 2.117 177.054 174.990 -0.089 0.000 1.492 58 C CA -0.223 58.773 59.018 -0.037 0.000 2.538 58 C CB -0.113 27.679 27.740 0.087 0.000 2.609 58 C HN 0.429 nan 8.230 nan 0.000 0.594 59 E N 1.322 121.470 120.200 -0.086 0.000 2.085 59 E HA 0.146 4.496 4.350 -0.000 0.000 0.194 59 E C 1.488 177.975 176.600 -0.188 0.000 0.994 59 E CA 1.238 57.564 56.400 -0.122 0.000 0.801 59 E CB -0.340 29.292 29.700 -0.113 0.000 0.743 59 E HN 0.663 nan 8.360 nan 0.000 0.453 60 G N 0.503 109.179 108.800 -0.206 0.000 2.633 60 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.263 60 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.263 60 G C 0.434 175.217 174.900 -0.196 0.000 1.310 60 G CA 0.276 45.264 45.100 -0.187 0.000 0.914 60 G HN 1.061 nan 8.290 nan 0.000 0.569 61 A N -2.760 119.986 122.820 -0.124 0.000 2.791 61 A HA -0.043 4.277 4.320 -0.000 0.000 0.292 61 A C 1.209 178.647 177.584 -0.244 0.000 1.487 61 A CA 2.169 54.083 52.037 -0.206 0.000 0.760 61 A CB -2.213 16.509 19.000 -0.464 0.000 1.031 61 A HN 2.586 nan 8.150 nan 0.000 0.503 62 Y N -0.129 120.075 120.300 -0.161 0.000 2.241 62 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 62 Y C 1.196 177.048 175.900 -0.080 0.000 1.166 62 Y CA 1.871 59.926 58.100 -0.076 0.000 1.203 62 Y CB -0.537 37.943 38.460 0.034 0.000 0.977 62 Y HN 0.750 nan 8.280 nan 0.000 0.529 63 N N -0.759 117.369 118.700 -0.954 0.000 2.351 63 N HA 0.240 4.979 4.740 -0.000 0.000 0.254 63 N C -0.831 174.435 175.510 -0.407 0.000 1.241 63 N CA -0.465 52.103 53.050 -0.803 0.000 0.883 63 N CB 0.454 38.205 38.487 -1.226 0.000 1.202 63 N HN 0.373 nan 8.380 nan 0.000 0.512 64 E N -0.454 119.548 120.200 -0.329 0.000 2.336 64 E HA 0.394 4.743 4.350 -0.000 0.000 0.267 64 E C 0.081 176.559 176.600 -0.204 0.000 0.906 64 E CA -0.994 55.288 56.400 -0.196 0.000 0.781 64 E CB 1.827 31.456 29.700 -0.119 0.000 1.261 64 E HN 0.267 nan 8.360 nan 0.000 0.436 65 G N 2.084 110.845 108.800 -0.065 0.000 2.225 65 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.267 65 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.267 65 G C 0.197 175.079 174.900 -0.030 0.000 1.024 65 G CA 0.904 46.004 45.100 -0.001 0.000 0.784 65 G HN 0.934 nan 8.290 nan 0.000 0.507 66 N N -2.120 116.546 118.700 -0.057 0.000 2.782 66 N HA -0.208 4.532 4.740 -0.000 0.000 0.251 66 N C 0.690 176.173 175.510 -0.045 0.000 1.101 66 N CA 0.992 54.019 53.050 -0.039 0.000 0.764 66 N CB -0.462 38.028 38.487 0.005 0.000 1.122 66 N HN 0.968 nan 8.380 nan 0.000 0.561 67 R N 1.166 121.612 120.500 -0.091 0.000 2.491 67 R HA 0.355 4.695 4.340 -0.000 0.000 0.283 67 R C 0.476 176.745 176.300 -0.052 0.000 1.072 67 R CA 0.301 56.362 56.100 -0.065 0.000 1.048 67 R CB 0.426 30.660 30.300 -0.110 0.000 0.983 67 R HN 0.141 nan 8.270 nan 0.000 0.450 68 G N 4.753 113.536 108.800 -0.027 0.000 2.395 68 G HA2 0.310 4.270 3.960 -0.000 0.000 0.283 68 G HA3 0.310 4.270 3.960 -0.000 0.000 0.283 68 G C -2.353 172.545 174.900 -0.004 0.000 1.178 68 G CA -1.372 43.709 45.100 -0.032 0.000 0.837 68 G HN 0.546 nan 8.290 nan 0.000 0.518 69 P HA 0.076 nan 4.420 nan 0.000 0.266 69 P C 0.318 177.631 177.300 0.023 0.000 1.195 69 P CA -0.011 63.127 63.100 0.063 0.000 0.768 69 P CB 1.198 32.938 31.700 0.067 0.000 0.838 70 S N 2.259 117.983 115.700 0.041 0.000 2.730 70 S HA 0.310 4.780 4.470 -0.000 0.000 0.284 70 S C 1.677 176.296 174.600 0.032 0.000 1.153 70 S CA -0.790 57.430 58.200 0.034 0.000 0.995 70 S CB 0.364 63.600 63.200 0.060 0.000 1.058 70 S HN 0.483 nan 8.310 nan 0.000 0.552 71 I N -2.803 117.810 120.570 0.072 0.000 2.454 71 I HA -0.029 4.141 4.170 -0.000 0.000 0.254 71 I C 1.744 177.848 176.117 -0.021 0.000 1.156 71 I CA 1.152 62.468 61.300 0.028 0.000 1.433 71 I CB -0.479 37.541 38.000 0.034 0.000 1.082 71 I HN 0.631 nan 8.210 nan 0.000 0.432 72 W N 2.447 123.683 121.300 -0.107 0.000 2.467 72 W HA -0.064 4.595 4.660 -0.000 0.000 0.275 72 W C 1.923 178.237 176.519 -0.342 0.000 1.239 72 W CA 1.338 58.545 57.345 -0.230 0.000 1.266 72 W CB -0.119 29.098 29.460 -0.406 0.000 1.112 72 W HN 0.247 nan 8.180 nan 0.000 0.576 73 D N -0.790 119.522 120.400 -0.147 0.000 2.081 73 D HA -0.208 4.431 4.640 -0.000 0.000 0.194 73 D C 2.067 178.414 176.300 0.078 0.000 0.986 73 D CA 2.485 56.514 54.000 0.049 0.000 0.837 73 D CB -1.047 39.816 40.800 0.105 0.000 0.985 73 D HN -0.131 nan 8.370 nan 0.000 0.448 74 T N 0.568 115.153 114.554 0.052 0.000 2.624 74 T HA -0.317 4.032 4.350 -0.000 0.000 0.266 74 T C 1.652 176.375 174.700 0.039 0.000 1.050 74 T CA 1.548 63.669 62.100 0.036 0.000 1.163 74 T CB -0.809 68.073 68.868 0.023 0.000 0.861 74 T HN 0.117 nan 8.240 nan 0.000 0.443 75 F N 1.372 121.240 119.950 -0.137 0.000 2.065 75 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 75 F C 2.758 178.519 175.800 -0.066 0.000 1.112 75 F CA 1.997 59.878 58.000 -0.199 0.000 1.212 75 F CB -0.915 37.790 39.000 -0.492 0.000 0.975 75 F HN 0.126 nan 8.300 nan 0.000 0.476 76 T N -1.142 113.481 114.554 0.115 0.000 3.085 76 T HA -0.058 4.292 4.350 -0.000 0.000 0.263 76 T C 1.704 176.418 174.700 0.023 0.000 1.127 76 T CA 1.236 63.420 62.100 0.139 0.000 1.103 76 T CB -0.048 69.085 68.868 0.441 0.000 0.921 76 T HN 0.466 nan 8.240 nan 0.000 0.510 77 Q N -0.653 119.139 119.800 -0.014 0.000 2.387 77 Q HA 0.224 4.564 4.340 -0.000 0.000 0.208 77 Q C 2.562 178.530 176.000 -0.053 0.000 0.935 77 Q CA 0.144 55.930 55.803 -0.028 0.000 0.891 77 Q CB 0.326 29.052 28.738 -0.019 0.000 1.007 77 Q HN 0.301 nan 8.270 nan 0.000 0.548 78 R N -0.108 120.348 120.500 -0.073 0.000 2.153 78 R HA 0.130 4.469 4.340 -0.000 0.000 0.218 78 R C 0.490 176.704 176.300 -0.142 0.000 1.072 78 R CA 0.674 56.724 56.100 -0.085 0.000 0.990 78 R CB 0.223 30.483 30.300 -0.066 0.000 0.889 78 R HN -0.086 nan 8.270 nan 0.000 0.452 79 S N 1.599 117.148 115.700 -0.251 0.000 2.143 79 S HA 0.215 4.684 4.470 -0.000 0.000 0.188 79 S C -2.065 172.318 174.600 -0.362 0.000 1.431 79 S CA -0.936 57.043 58.200 -0.368 0.000 1.253 79 S CB 1.404 64.209 63.200 -0.659 0.000 1.137 79 S HN 0.110 nan 8.310 nan 0.000 0.457 80 P HA 0.246 nan 4.420 nan 0.000 0.255 80 P C 0.858 178.123 177.300 -0.058 0.000 1.248 80 P CA 0.111 63.154 63.100 -0.095 0.000 0.807 80 P CB 0.196 31.877 31.700 -0.032 0.000 1.150 81 A N 0.667 123.437 122.820 -0.083 0.000 2.238 81 A HA 0.012 4.332 4.320 -0.000 0.000 0.208 81 A C 1.698 179.261 177.584 -0.035 0.000 1.177 81 A CA 0.683 52.694 52.037 -0.042 0.000 0.804 81 A CB -0.546 18.429 19.000 -0.042 0.000 0.823 81 A HN 0.058 nan 8.150 nan 0.000 0.482 82 K N -0.179 120.171 120.400 -0.083 0.000 2.372 82 K HA 0.255 4.574 4.320 -0.000 0.000 0.200 82 K C -0.446 176.219 176.600 0.108 0.000 1.022 82 K CA 0.001 56.275 56.287 -0.020 0.000 1.125 82 K CB 0.549 32.963 32.500 -0.144 0.000 0.855 82 K HN 0.296 nan 8.250 nan 0.000 0.524 83 I N 0.890 121.516 120.570 0.094 0.000 2.404 83 I HA 0.082 4.252 4.170 -0.000 0.000 0.293 83 I C 1.790 177.977 176.117 0.117 0.000 0.992 83 I CA -0.427 60.975 61.300 0.170 0.000 1.149 83 I CB 1.549 39.668 38.000 0.198 0.000 1.315 83 I HN -0.070 nan 8.210 nan 0.000 0.446 84 S N 3.741 119.510 115.700 0.114 0.000 2.374 84 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 84 S C 1.049 175.701 174.600 0.086 0.000 1.037 84 S CA 2.278 60.534 58.200 0.094 0.000 1.024 84 S CB -0.045 63.213 63.200 0.095 0.000 0.861 84 S HN 0.782 nan 8.310 nan 0.000 0.456 85 D N -2.042 118.412 120.400 0.091 0.000 2.513 85 D HA 0.288 4.928 4.640 -0.000 0.000 0.222 85 D C 1.102 177.465 176.300 0.105 0.000 1.210 85 D CA 0.691 54.748 54.000 0.096 0.000 0.825 85 D CB -0.376 40.492 40.800 0.112 0.000 1.037 85 D HN 0.500 nan 8.370 nan 0.000 0.506 86 G N 0.726 109.590 108.800 0.106 0.000 2.159 86 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.256 86 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.256 86 G C 0.513 175.495 174.900 0.138 0.000 0.977 86 G CA 0.607 45.766 45.100 0.098 0.000 0.652 86 G HN 0.794 nan 8.290 nan 0.000 0.531 87 S N -0.269 115.554 115.700 0.206 0.000 2.671 87 S HA 0.764 5.233 4.470 -0.000 0.000 0.272 87 S C -0.038 174.771 174.600 0.349 0.000 1.174 87 S CA 0.355 58.725 58.200 0.283 0.000 1.004 87 S CB 1.630 65.088 63.200 0.429 0.000 1.077 87 S HN 1.718 nan 8.310 nan 0.000 0.553 88 N N -2.606 116.258 118.700 0.273 0.000 2.708 88 N HA 0.469 5.209 4.740 -0.000 0.000 0.257 88 N C 0.039 175.196 175.510 -0.589 0.000 1.373 88 N CA -0.588 52.429 53.050 -0.056 0.000 0.843 88 N CB 0.576 39.043 38.487 -0.034 0.000 1.503 88 N HN 0.671 nan 8.380 nan 0.000 0.504 89 G N -0.319 107.729 108.800 -1.253 0.000 3.155 89 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.213 89 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.213 89 G C 0.366 174.821 174.900 -0.742 0.000 1.196 89 G CA -0.120 44.057 45.100 -1.538 0.000 0.846 89 G HN 0.570 nan 8.290 nan 0.000 0.516 90 N N 0.356 118.805 118.700 -0.418 0.000 2.036 90 N HA -0.075 4.665 4.740 -0.000 0.000 0.195 90 N C 1.385 176.893 175.510 -0.004 0.000 1.037 90 N CA 1.031 53.929 53.050 -0.253 0.000 0.855 90 N CB -0.042 38.233 38.487 -0.354 0.000 1.033 90 N HN 0.446 nan 8.380 nan 0.000 0.423 94 N N 0.787 119.307 118.700 -0.300 0.000 2.741 94 N HA -0.201 4.538 4.740 -0.000 0.000 0.250 94 N C 0.918 176.267 175.510 -0.268 0.000 1.115 94 N CA 0.778 53.566 53.050 -0.436 0.000 0.724 94 N CB -0.821 37.075 38.487 -0.986 0.000 1.090 94 N HN 0.729 nan 8.380 nan 0.000 0.558 95 C N -0.458 118.728 119.300 -0.189 0.000 2.430 95 C HA -0.117 4.343 4.460 -0.000 0.000 0.288 95 C C 2.099 177.028 174.990 -0.102 0.000 1.448 95 C CA 0.697 59.641 59.018 -0.124 0.000 1.784 95 C CB -1.818 25.894 27.740 -0.047 0.000 1.776 95 C HN 0.642 nan 8.230 nan 0.000 0.547 96 Y N 0.508 120.585 120.300 -0.372 0.000 2.373 96 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 96 Y C 2.551 178.159 175.900 -0.488 0.000 1.129 96 Y CA 1.606 59.305 58.100 -0.667 0.000 1.226 96 Y CB -0.419 37.506 38.460 -0.892 0.000 1.000 96 Y HN 0.456 nan 8.280 nan 0.000 0.549 97 H N -1.494 117.454 119.070 -0.204 0.000 2.604 97 H HA 0.232 4.788 4.556 -0.000 0.000 0.273 97 H C 1.084 176.314 175.328 -0.163 0.000 0.971 97 H CA 0.973 56.898 56.048 -0.204 0.000 1.249 97 H CB 0.149 29.811 29.762 -0.167 0.000 1.449 97 H HN 0.386 nan 8.280 nan 0.000 0.512 98 M N 1.132 120.709 119.600 -0.038 0.000 2.549 98 M HA 0.100 4.579 4.480 -0.000 0.000 0.273 98 M C 1.325 177.583 176.300 -0.069 0.000 1.213 98 M CA -0.342 54.905 55.300 -0.089 0.000 0.976 98 M CB -0.091 32.447 32.600 -0.102 0.000 1.457 98 M HN 0.136 nan 8.290 nan 0.000 0.485 99 Y N 0.560 120.852 120.300 -0.014 0.000 2.128 99 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 99 Y C 1.902 177.852 175.900 0.083 0.000 1.154 99 Y CA 1.384 59.538 58.100 0.090 0.000 1.149 99 Y CB -0.835 37.736 38.460 0.185 0.000 0.976 99 Y HN 0.057 nan 8.280 nan 0.000 0.505 100 K N 0.435 120.487 120.400 -0.581 0.000 2.074 100 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 100 K C 2.194 178.712 176.600 -0.136 0.000 1.048 100 K CA 2.012 58.089 56.287 -0.351 0.000 0.926 100 K CB -0.279 31.935 32.500 -0.476 0.000 0.713 100 K HN 0.648 nan 8.250 nan 0.000 0.444 101 E N 1.177 121.303 120.200 -0.122 0.000 2.051 101 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 101 E C 1.334 177.960 176.600 0.043 0.000 0.991 101 E CA 1.734 58.109 56.400 -0.042 0.000 0.799 101 E CB 0.067 29.738 29.700 -0.047 0.000 0.748 101 E HN 0.177 nan 8.360 nan 0.000 0.449 102 D N 0.707 121.165 120.400 0.098 0.000 2.149 102 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 102 D C 1.907 178.282 176.300 0.125 0.000 0.990 102 D CA 1.058 55.232 54.000 0.290 0.000 0.839 102 D CB -0.139 40.875 40.800 0.357 0.000 0.948 102 D HN 0.331 nan 8.370 nan 0.000 0.460 103 I N 0.648 121.233 120.570 0.024 0.000 2.439 103 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 103 I C 2.232 178.300 176.117 -0.082 0.000 1.139 103 I CA 0.682 61.922 61.300 -0.100 0.000 1.438 103 I CB -0.784 37.161 38.000 -0.092 0.000 1.085 103 I HN 0.071 nan 8.210 nan 0.000 0.427 104 K N 2.109 122.492 120.400 -0.029 0.000 2.009 104 K HA -0.169 4.150 4.320 -0.000 0.000 0.210 104 K C 2.147 178.748 176.600 0.002 0.000 1.049 104 K CA 1.614 57.887 56.287 -0.023 0.000 0.929 104 K CB -0.096 32.394 32.500 -0.017 0.000 0.714 104 K HN 0.226 nan 8.250 nan 0.000 0.440 105 I N 0.779 121.394 120.570 0.076 0.000 2.286 105 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 105 I C 2.630 178.863 176.117 0.193 0.000 1.115 105 I CA 1.250 62.648 61.300 0.165 0.000 1.392 105 I CB -0.390 37.816 38.000 0.343 0.000 1.065 105 I HN 0.291 nan 8.210 nan 0.000 0.418 106 M N 0.507 120.089 119.600 -0.030 0.000 2.082 106 M HA -0.268 4.212 4.480 -0.000 0.000 0.258 106 M C 2.447 178.673 176.300 -0.124 0.000 1.069 106 M CA 1.985 57.097 55.300 -0.314 0.000 1.102 106 M CB -0.345 31.862 32.600 -0.656 0.000 1.336 106 M HN 0.106 nan 8.290 nan 0.000 0.404 107 K N -0.287 120.050 120.400 -0.104 0.000 2.167 107 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 107 K C 1.922 178.486 176.600 -0.060 0.000 1.052 107 K CA 1.156 57.391 56.287 -0.087 0.000 0.956 107 K CB 0.089 32.540 32.500 -0.081 0.000 0.735 107 K HN 0.385 nan 8.250 nan 0.000 0.451 108 Q N -0.369 119.411 119.800 -0.032 0.000 2.030 108 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 108 Q C 1.920 177.900 176.000 -0.033 0.000 0.986 108 Q CA 2.506 58.292 55.803 -0.029 0.000 0.843 108 Q CB -0.170 28.557 28.738 -0.018 0.000 0.904 108 Q HN 0.254 nan 8.270 nan 0.000 0.420 109 T N -1.060 113.498 114.554 0.007 0.000 2.803 109 T HA -0.102 4.247 4.350 -0.000 0.000 0.269 109 T C 1.274 175.907 174.700 -0.111 0.000 1.052 109 T CA 1.284 63.378 62.100 -0.009 0.000 1.136 109 T CB -0.375 68.571 68.868 0.130 0.000 0.864 109 T HN 0.659 nan 8.240 nan 0.000 0.467 110 G N 0.412 109.145 108.800 -0.113 0.000 2.144 110 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 110 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 110 G C -0.086 174.705 174.900 -0.182 0.000 0.988 110 G CA -0.436 44.573 45.100 -0.153 0.000 0.659 110 G HN 0.423 nan 8.290 nan 0.000 0.522 111 L N 0.866 121.986 121.223 -0.171 0.000 2.615 111 L HA 0.194 4.534 4.340 -0.000 0.000 0.284 111 L C 1.682 178.489 176.870 -0.104 0.000 1.237 111 L CA 1.303 56.049 54.840 -0.157 0.000 0.905 111 L CB 0.458 42.436 42.059 -0.135 0.000 1.149 111 L HN 0.408 nan 8.230 nan 0.000 0.499 112 E N 0.368 120.524 120.200 -0.073 0.000 2.216 112 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 112 E C 0.188 176.790 176.600 0.004 0.000 0.988 112 E CA 0.595 56.979 56.400 -0.026 0.000 0.834 112 E CB 0.389 30.096 29.700 0.012 0.000 0.772 112 E HN 0.553 nan 8.360 nan 0.000 0.479 113 S N -1.173 114.542 115.700 0.025 0.000 2.537 113 S HA 0.344 4.814 4.470 -0.000 0.000 0.270 113 S C -2.039 172.714 174.600 0.254 0.000 1.142 113 S CA -0.837 57.444 58.200 0.134 0.000 0.870 113 S CB 0.892 64.221 63.200 0.215 0.000 1.112 113 S HN 0.149 nan 8.310 nan 0.000 0.466 114 Y N 2.827 123.189 120.300 0.103 0.000 2.429 114 Y HA 0.681 5.231 4.550 -0.000 0.000 0.342 114 Y C -0.395 175.652 175.900 0.245 0.000 1.004 114 Y CA -0.868 57.315 58.100 0.137 0.000 1.075 114 Y CB 1.422 39.849 38.460 -0.054 0.000 1.214 114 Y HN 0.728 nan 8.280 nan 0.000 0.455 115 R N 6.929 127.210 120.500 -0.365 0.000 2.288 115 R HA 0.405 4.745 4.340 -0.000 0.000 0.326 115 R C -1.389 174.648 176.300 -0.439 0.000 0.959 115 R CA -0.496 55.396 56.100 -0.346 0.000 0.834 115 R CB 0.778 30.885 30.300 -0.322 0.000 1.157 115 R HN 0.667 nan 8.270 nan 0.000 0.470 116 F N -0.423 119.318 119.950 -0.348 0.000 2.712 116 F HA 0.773 5.300 4.527 -0.000 0.000 0.367 116 F C -0.336 175.481 175.800 0.028 0.000 1.132 116 F CA -1.184 56.753 58.000 -0.105 0.000 1.066 116 F CB 1.351 40.451 39.000 0.166 0.000 1.416 116 F HN 0.288 nan 8.300 nan 0.000 0.515 117 S N 0.182 115.998 115.700 0.194 0.000 2.541 117 S HA 0.678 5.148 4.470 -0.000 0.000 0.280 117 S C -1.172 173.614 174.600 0.310 0.000 1.112 117 S CA -0.781 57.483 58.200 0.106 0.000 0.925 117 S CB 1.391 64.683 63.200 0.153 0.000 1.067 117 S HN 0.704 nan 8.310 nan 0.000 0.479 118 I N 2.782 123.453 120.570 0.168 0.000 2.371 118 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 118 I C 0.847 177.118 176.117 0.258 0.000 1.028 118 I CA -0.257 61.094 61.300 0.085 0.000 1.345 118 I CB 1.483 39.406 38.000 -0.128 0.000 1.407 118 I HN 0.837 nan 8.210 nan 0.000 0.501 119 S N 7.334 123.232 115.700 0.330 0.000 2.465 119 S HA -0.079 4.391 4.470 -0.000 0.000 0.307 119 S C 1.027 175.790 174.600 0.272 0.000 1.187 119 S CA -0.335 58.053 58.200 0.313 0.000 1.141 119 S CB -0.005 63.385 63.200 0.317 0.000 1.108 119 S HN 0.729 nan 8.310 nan 0.000 0.525 120 W N 5.006 126.307 121.300 0.002 0.000 2.304 120 W HA -0.214 4.446 4.660 -0.000 0.000 0.315 120 W C 1.986 178.353 176.519 -0.254 0.000 1.233 120 W CA 2.091 59.177 57.345 -0.432 0.000 1.261 120 W CB -1.373 27.763 29.460 -0.540 0.000 1.150 120 W HN 0.848 nan 8.180 nan 0.000 0.494 121 S N -0.145 115.608 115.700 0.089 0.000 2.603 121 S HA -0.054 4.416 4.470 -0.000 0.000 0.229 121 S C 1.727 176.356 174.600 0.048 0.000 0.972 121 S CA 0.868 59.055 58.200 -0.022 0.000 0.935 121 S CB -0.227 62.959 63.200 -0.022 0.000 0.769 121 S HN 0.444 nan 8.310 nan 0.000 0.536 122 R N 0.925 121.504 120.500 0.131 0.000 2.307 122 R HA 0.170 4.510 4.340 -0.000 0.000 0.200 122 R C 1.771 178.195 176.300 0.206 0.000 0.893 122 R CA 0.815 57.014 56.100 0.165 0.000 1.042 122 R CB 0.274 30.733 30.300 0.265 0.000 1.059 122 R HN 0.442 nan 8.270 nan 0.000 0.530 123 V N -1.902 118.129 119.914 0.194 0.000 3.085 123 V HA 0.321 4.440 4.120 -0.000 0.000 0.245 123 V C 0.595 176.706 176.094 0.029 0.000 1.114 123 V CA 0.335 62.747 62.300 0.188 0.000 1.108 123 V CB 0.292 32.312 31.823 0.329 0.000 0.798 123 V HN -0.018 nan 8.190 nan 0.000 0.471 124 L N 1.410 122.652 121.223 0.032 0.000 2.445 124 L HA 0.473 4.812 4.340 -0.000 0.000 0.252 124 L C -1.883 174.941 176.870 -0.076 0.000 1.105 124 L CA -1.514 53.302 54.840 -0.040 0.000 0.943 124 L CB 1.639 43.700 42.059 0.003 0.000 1.277 124 L HN 0.040 nan 8.230 nan 0.000 0.465 125 P HA -0.175 nan 4.420 nan 0.000 0.216 125 P C 1.370 178.603 177.300 -0.112 0.000 1.154 125 P CA 1.211 64.272 63.100 -0.066 0.000 0.865 125 P CB 0.317 31.992 31.700 -0.041 0.000 0.789 126 G N -3.022 105.709 108.800 -0.116 0.000 3.284 126 G HA2 0.371 4.331 3.960 -0.000 0.000 0.236 126 G HA3 0.371 4.331 3.960 -0.000 0.000 0.236 126 G C 1.062 175.843 174.900 -0.198 0.000 1.158 126 G CA 0.438 45.457 45.100 -0.135 0.000 0.774 126 G HN 0.436 nan 8.290 nan 0.000 0.545 127 G N 0.751 109.388 108.800 -0.271 0.000 4.365 127 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.214 127 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.214 127 G C 0.889 175.680 174.900 -0.183 0.000 1.450 127 G CA 0.282 45.125 45.100 -0.427 0.000 0.937 127 G HN 0.778 nan 8.290 nan 0.000 0.625 128 R N 0.140 120.586 120.500 -0.089 0.000 2.584 128 R HA 0.761 5.101 4.340 -0.000 0.000 0.253 128 R C 1.520 177.824 176.300 0.006 0.000 1.251 128 R CA 0.049 56.162 56.100 0.022 0.000 1.129 128 R CB 0.136 30.458 30.300 0.037 0.000 1.239 128 R HN 0.489 nan 8.270 nan 0.000 0.595 129 L N 0.145 121.380 121.223 0.019 0.000 2.375 129 L HA 0.238 4.578 4.340 -0.000 0.000 0.215 129 L C 1.905 178.766 176.870 -0.015 0.000 1.108 129 L CA 1.446 56.282 54.840 -0.006 0.000 0.830 129 L CB -0.380 41.685 42.059 0.009 0.000 0.959 129 L HN 0.792 nan 8.230 nan 0.000 0.457 130 A N 0.092 122.908 122.820 -0.006 0.000 1.902 130 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 130 A C 2.451 180.025 177.584 -0.018 0.000 1.181 130 A CA 1.472 53.504 52.037 -0.008 0.000 0.623 130 A CB -1.087 17.911 19.000 -0.002 0.000 0.818 130 A HN 0.527 nan 8.150 nan 0.000 0.443 131 A N -1.276 121.527 122.820 -0.029 0.000 2.032 131 A HA 0.348 4.668 4.320 -0.000 0.000 0.221 131 A C 1.633 179.194 177.584 -0.037 0.000 1.165 131 A CA 1.834 53.848 52.037 -0.039 0.000 0.645 131 A CB -1.154 17.810 19.000 -0.060 0.000 0.807 131 A HN 2.268 nan 8.150 nan 0.000 0.453 132 G N -2.769 106.006 108.800 -0.042 0.000 2.619 132 G HA2 0.217 4.177 3.960 -0.000 0.000 0.686 132 G HA3 0.217 4.177 3.960 -0.000 0.000 0.686 132 G C -0.380 174.478 174.900 -0.071 0.000 1.256 132 G CA -0.168 44.907 45.100 -0.041 0.000 0.826 132 G HN 1.623 nan 8.290 nan 0.000 0.619 133 V N 0.503 120.370 119.914 -0.078 0.000 2.383 133 V HA 0.706 4.826 4.120 -0.000 0.000 0.275 133 V C 0.469 176.560 176.094 -0.005 0.000 1.036 133 V CA -0.429 61.797 62.300 -0.123 0.000 0.889 133 V CB 1.328 32.978 31.823 -0.287 0.000 0.985 133 V HN 1.330 nan 8.190 nan 0.000 0.459 134 N N 5.850 124.564 118.700 0.023 0.000 2.402 134 N HA 0.238 4.977 4.740 -0.000 0.000 0.252 134 N C 0.826 176.432 175.510 0.159 0.000 1.118 134 N CA 0.129 53.229 53.050 0.083 0.000 0.945 134 N CB 0.940 39.474 38.487 0.079 0.000 1.147 134 N HN 0.780 nan 8.380 nan 0.000 0.495 135 K N 2.393 122.887 120.400 0.157 0.000 2.032 135 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 135 K C 0.612 177.355 176.600 0.239 0.000 1.048 135 K CA 1.905 58.314 56.287 0.203 0.000 0.927 135 K CB -0.012 32.585 32.500 0.161 0.000 0.712 135 K HN 0.527 nan 8.250 nan 0.000 0.441 136 D N 0.290 120.810 120.400 0.200 0.000 2.157 136 D HA -0.194 4.445 4.640 -0.000 0.000 0.191 136 D C 1.937 178.432 176.300 0.325 0.000 1.004 136 D CA 1.696 55.832 54.000 0.226 0.000 0.854 136 D CB -0.622 40.282 40.800 0.173 0.000 0.936 136 D HN 0.412 nan 8.370 nan 0.000 0.446 137 G N 0.453 109.458 108.800 0.341 0.000 2.453 137 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 137 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 137 G C 1.763 177.075 174.900 0.687 0.000 1.201 137 G CA 1.275 46.672 45.100 0.494 0.000 0.784 137 G HN 0.383 nan 8.290 nan 0.000 0.545 138 V N -0.134 120.150 119.914 0.616 0.000 2.867 138 V HA 0.010 4.129 4.120 -0.000 0.000 0.260 138 V C 2.262 178.768 176.094 0.685 0.000 1.099 138 V CA 2.595 65.349 62.300 0.757 0.000 1.122 138 V CB -0.343 31.876 31.823 0.660 0.000 0.708 138 V HN 0.334 nan 8.190 nan 0.000 0.490 139 K N -0.349 120.351 120.400 0.500 0.000 2.007 139 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 139 K C 2.065 178.861 176.600 0.328 0.000 1.047 139 K CA 1.718 58.237 56.287 0.388 0.000 0.937 139 K CB -0.423 32.240 32.500 0.272 0.000 0.718 139 K HN 0.605 nan 8.250 nan 0.000 0.438 140 F N 0.880 120.917 119.950 0.144 0.000 2.043 140 F HA -0.361 4.166 4.527 -0.000 0.000 0.297 140 F C 1.889 177.566 175.800 -0.205 0.000 1.118 140 F CA 1.862 59.781 58.000 -0.135 0.000 1.202 140 F CB -0.433 38.485 39.000 -0.136 0.000 0.965 140 F HN 0.081 nan 8.300 nan 0.000 0.482 141 Y N -0.385 119.778 120.300 -0.228 0.000 2.181 141 Y HA -0.273 4.276 4.550 -0.000 0.000 0.288 141 Y C 2.811 178.483 175.900 -0.381 0.000 1.146 141 Y CA 1.795 59.581 58.100 -0.522 0.000 1.164 141 Y CB -1.022 37.080 38.460 -0.596 0.000 0.982 141 Y HN 0.182 nan 8.280 nan 0.000 0.515 142 H N 0.067 119.210 119.070 0.123 0.000 2.290 142 H HA -0.173 4.382 4.556 -0.000 0.000 0.298 142 H C 1.694 177.005 175.328 -0.028 0.000 1.087 142 H CA 1.865 58.010 56.048 0.163 0.000 1.291 142 H CB -0.419 29.514 29.762 0.285 0.000 1.369 142 H HN 0.353 nan 8.280 nan 0.000 0.492 143 D N 0.010 120.432 120.400 0.038 0.000 2.133 143 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 143 D C 2.166 178.305 176.300 -0.268 0.000 0.997 143 D CA 0.850 54.791 54.000 -0.100 0.000 0.840 143 D CB -0.711 39.962 40.800 -0.211 0.000 0.947 143 D HN 0.293 nan 8.370 nan 0.000 0.452 144 F N 0.633 120.118 119.950 -0.774 0.000 2.098 144 F HA -0.080 4.447 4.527 -0.000 0.000 0.294 144 F C 2.295 177.794 175.800 -0.502 0.000 1.107 144 F CA 0.809 58.277 58.000 -0.886 0.000 1.234 144 F CB -0.036 38.131 39.000 -1.389 0.000 1.002 144 F HN -0.149 nan 8.300 nan 0.000 0.472 145 I N 0.679 120.996 120.570 -0.422 0.000 2.118 145 I HA -0.370 3.800 4.170 -0.000 0.000 0.241 145 I C 1.876 177.866 176.117 -0.212 0.000 1.070 145 I CA 1.772 62.887 61.300 -0.308 0.000 1.327 145 I CB -0.659 37.281 38.000 -0.100 0.000 1.034 145 I HN 0.142 nan 8.210 nan 0.000 0.405 146 D N 0.316 120.658 120.400 -0.096 0.000 2.149 146 D HA -0.224 4.416 4.640 -0.000 0.000 0.198 146 D C 2.021 178.275 176.300 -0.076 0.000 0.990 146 D CA 1.116 55.091 54.000 -0.043 0.000 0.839 146 D CB -0.253 40.557 40.800 0.018 0.000 0.948 146 D HN 0.302 nan 8.370 nan 0.000 0.460 147 E N 0.438 120.572 120.200 -0.110 0.000 2.031 147 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 147 E C 2.155 178.654 176.600 -0.168 0.000 0.994 147 E CA 0.597 56.950 56.400 -0.077 0.000 0.800 147 E CB -0.392 29.352 29.700 0.074 0.000 0.752 147 E HN 0.225 nan 8.360 nan 0.000 0.447 148 L N 0.080 121.110 121.223 -0.321 0.000 1.963 148 L HA -0.272 4.068 4.340 -0.000 0.000 0.220 148 L C 2.571 179.344 176.870 -0.161 0.000 1.076 148 L CA 1.660 56.323 54.840 -0.295 0.000 0.772 148 L CB -0.686 41.141 42.059 -0.386 0.000 0.892 148 L HN 0.252 nan 8.230 nan 0.000 0.435 149 L N -0.614 120.532 121.223 -0.129 0.000 2.127 149 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 149 L C 2.767 179.601 176.870 -0.062 0.000 1.089 149 L CA 1.104 55.899 54.840 -0.075 0.000 0.757 149 L CB -0.954 41.073 42.059 -0.054 0.000 0.899 149 L HN 0.299 nan 8.230 nan 0.000 0.434 150 A N 0.203 122.985 122.820 -0.064 0.000 2.070 150 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 150 A C 1.752 179.306 177.584 -0.051 0.000 1.159 150 A CA 1.904 53.913 52.037 -0.046 0.000 0.656 150 A CB -0.518 18.461 19.000 -0.035 0.000 0.800 150 A HN 0.492 nan 8.150 nan 0.000 0.453 151 N N -1.943 116.715 118.700 -0.069 0.000 2.205 151 N HA 0.339 5.079 4.740 -0.000 0.000 0.201 151 N C 0.771 176.240 175.510 -0.068 0.000 1.128 151 N CA 0.883 53.890 53.050 -0.071 0.000 0.867 151 N CB 0.831 39.264 38.487 -0.090 0.000 0.996 151 N HN 0.509 nan 8.380 nan 0.000 0.503 152 G N 0.642 109.405 108.800 -0.062 0.000 2.132 152 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.228 152 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.228 152 G C -0.277 174.592 174.900 -0.051 0.000 1.000 152 G CA -0.288 44.782 45.100 -0.049 0.000 0.693 152 G HN 0.227 nan 8.290 nan 0.000 0.515 153 I N 0.254 120.784 120.570 -0.067 0.000 2.404 153 I HA 0.345 4.515 4.170 -0.000 0.000 0.293 153 I C 0.492 176.592 176.117 -0.030 0.000 0.992 153 I CA -0.903 60.363 61.300 -0.058 0.000 1.149 153 I CB 1.615 39.555 38.000 -0.100 0.000 1.315 153 I HN -0.096 nan 8.210 nan 0.000 0.446 154 K N 7.129 127.540 120.400 0.018 0.000 2.349 154 K HA 0.248 4.567 4.320 -0.000 0.000 0.288 154 K C -2.334 174.306 176.600 0.067 0.000 1.058 154 K CA -1.392 54.923 56.287 0.047 0.000 0.953 154 K CB 0.495 33.054 32.500 0.097 0.000 0.997 154 K HN 0.298 nan 8.250 nan 0.000 0.477 155 P HA 0.010 nan 4.420 nan 0.000 0.280 155 P C -0.848 176.419 177.300 -0.056 0.000 1.244 155 P CA -0.314 62.835 63.100 0.083 0.000 0.784 155 P CB 1.261 32.985 31.700 0.039 0.000 0.913 156 S N 2.779 118.386 115.700 -0.156 0.000 2.721 156 S HA 0.332 4.802 4.470 -0.000 0.000 0.264 156 S C -1.007 173.220 174.600 -0.621 0.000 1.161 156 S CA -0.594 57.398 58.200 -0.347 0.000 1.113 156 S CB 0.181 63.219 63.200 -0.270 0.000 1.079 156 S HN 0.099 nan 8.310 nan 0.000 0.479 157 V N 5.353 124.812 119.914 -0.758 0.000 2.348 157 V HA 0.391 4.511 4.120 -0.000 0.000 0.270 157 V C 0.564 176.472 176.094 -0.310 0.000 1.037 157 V CA -0.426 61.381 62.300 -0.822 0.000 0.872 157 V CB 1.036 32.228 31.823 -1.052 0.000 1.002 157 V HN 0.890 nan 8.190 nan 0.000 0.464 158 T N 6.113 120.530 114.554 -0.228 0.000 2.869 158 T HA 0.343 4.693 4.350 -0.000 0.000 0.295 158 T C 1.203 175.920 174.700 0.029 0.000 0.987 158 T CA -0.221 61.855 62.100 -0.040 0.000 1.109 158 T CB 1.498 70.364 68.868 -0.005 0.000 0.932 158 T HN 0.426 nan 8.240 nan 0.000 0.518 159 L N 1.373 122.632 121.223 0.060 0.000 2.127 159 L HA 0.320 4.660 4.340 -0.000 0.000 0.203 159 L C 0.230 177.289 176.870 0.316 0.000 1.080 159 L CA 0.843 55.704 54.840 0.034 0.000 0.768 159 L CB 0.187 42.094 42.059 -0.253 0.000 0.924 159 L HN 0.521 nan 8.230 nan 0.000 0.444 160 F N -1.157 118.824 119.950 0.051 0.000 2.536 160 F HA 0.315 4.842 4.527 -0.000 0.000 0.322 160 F C -0.233 175.633 175.800 0.111 0.000 1.144 160 F CA -0.751 57.336 58.000 0.145 0.000 0.924 160 F CB 0.979 39.976 39.000 -0.005 0.000 1.181 160 F HN -0.103 nan 8.300 nan 0.000 0.438 161 H N 6.564 125.322 119.070 -0.519 0.000 2.616 161 H HA 0.216 4.772 4.556 -0.000 0.000 0.229 161 H C -0.730 174.146 175.328 -0.754 0.000 1.418 161 H CA -0.302 55.361 56.048 -0.641 0.000 1.248 161 H CB 0.093 29.608 29.762 -0.412 0.000 1.822 161 H HN 0.745 nan 8.280 nan 0.000 0.522 162 W N -0.319 120.315 121.300 -1.111 0.000 1.446 162 W HA -0.267 4.393 4.660 -0.000 0.000 0.238 162 W C 0.099 176.590 176.519 -0.046 0.000 0.976 162 W CA 0.954 57.979 57.345 -0.534 0.000 0.404 162 W CB -2.072 27.407 29.460 0.032 0.000 1.980 162 W HN 0.603 nan 8.180 nan 0.000 1.274 163 D N 1.700 122.132 120.400 0.053 0.000 2.801 163 D HA 0.348 4.988 4.640 -0.000 0.000 0.232 163 D C 0.426 176.915 176.300 0.315 0.000 1.128 163 D CA -0.212 53.929 54.000 0.235 0.000 1.003 163 D CB -0.620 40.297 40.800 0.196 0.000 1.110 163 D HN 0.150 nan 8.370 nan 0.000 0.477 164 L N 0.773 122.323 121.223 0.545 0.000 2.485 164 L HA 0.270 4.610 4.340 -0.000 0.000 0.275 164 L C -2.461 174.482 176.870 0.122 0.000 1.207 164 L CA -1.222 53.981 54.840 0.605 0.000 0.855 164 L CB 0.119 42.592 42.059 0.689 0.000 1.114 164 L HN -0.039 nan 8.230 nan 0.000 0.485 165 P HA 0.011 nan 4.420 nan 0.000 0.265 165 P C -0.259 176.926 177.300 -0.193 0.000 1.193 165 P CA 0.046 62.978 63.100 -0.281 0.000 0.765 165 P CB 0.656 32.014 31.700 -0.571 0.000 0.823 166 Q N 4.952 124.686 119.800 -0.110 0.000 2.077 166 Q HA -0.241 4.098 4.340 -0.000 0.000 0.206 166 Q C 2.015 177.924 176.000 -0.152 0.000 0.989 166 Q CA 2.601 58.350 55.803 -0.090 0.000 0.853 166 Q CB -1.310 27.399 28.738 -0.049 0.000 0.907 166 Q HN 0.506 nan 8.270 nan 0.000 0.418 167 A N 0.182 122.893 122.820 -0.181 0.000 1.927 167 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 167 A C 2.128 179.534 177.584 -0.298 0.000 1.185 167 A CA 1.900 53.814 52.037 -0.205 0.000 0.639 167 A CB -0.904 17.976 19.000 -0.199 0.000 0.820 167 A HN 0.470 nan 8.150 nan 0.000 0.451 168 L N -1.576 119.407 121.223 -0.400 0.000 2.007 168 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 168 L C 2.638 179.197 176.870 -0.518 0.000 1.073 168 L CA 1.600 56.075 54.840 -0.608 0.000 0.744 168 L CB -0.804 40.871 42.059 -0.641 0.000 0.898 168 L HN 0.498 nan 8.230 nan 0.000 0.435 169 E N 0.946 120.982 120.200 -0.273 0.000 2.086 169 E HA -0.299 4.051 4.350 -0.000 0.000 0.205 169 E C 1.733 178.256 176.600 -0.129 0.000 1.027 169 E CA 2.160 58.493 56.400 -0.110 0.000 0.830 169 E CB -0.158 29.534 29.700 -0.013 0.000 0.751 169 E HN 0.333 nan 8.360 nan 0.000 0.456 170 D N -0.162 120.150 120.400 -0.148 0.000 2.088 170 D HA -0.199 4.440 4.640 -0.000 0.000 0.191 170 D C 1.890 178.111 176.300 -0.132 0.000 0.992 170 D CA 1.599 55.532 54.000 -0.112 0.000 0.831 170 D CB -0.584 40.156 40.800 -0.100 0.000 0.973 170 D HN 0.465 nan 8.370 nan 0.000 0.447 171 E N -0.282 119.784 120.200 -0.224 0.000 2.035 171 E HA -0.242 4.108 4.350 -0.000 0.000 0.204 171 E C 1.132 177.693 176.600 -0.065 0.000 1.025 171 E CA 1.531 57.822 56.400 -0.181 0.000 0.835 171 E CB -0.173 29.366 29.700 -0.269 0.000 0.764 171 E HN 0.484 nan 8.360 nan 0.000 0.457 172 Y N -2.390 117.897 120.300 -0.021 0.000 2.696 172 Y HA 0.600 5.150 4.550 -0.000 0.000 0.260 172 Y C 0.758 176.664 175.900 0.008 0.000 1.165 172 Y CA -0.486 57.610 58.100 -0.007 0.000 1.189 172 Y CB 0.346 38.799 38.460 -0.011 0.000 1.180 172 Y HN 0.243 nan 8.280 nan 0.000 0.538 173 G N -0.202 108.679 108.800 0.136 0.000 2.159 173 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.256 173 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.256 173 G C 1.275 176.295 174.900 0.200 0.000 0.977 173 G CA 0.506 45.700 45.100 0.157 0.000 0.652 173 G HN 1.564 nan 8.290 nan 0.000 0.531 174 G N -0.375 108.514 108.800 0.150 0.000 2.687 174 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.303 174 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.303 174 G C 0.790 175.750 174.900 0.100 0.000 1.209 174 G CA 0.874 46.032 45.100 0.096 0.000 0.968 174 G HN 1.030 nan 8.290 nan 0.000 0.549 175 F N 1.760 121.839 119.950 0.216 0.000 2.765 175 F HA 0.453 4.980 4.527 -0.000 0.000 0.302 175 F C 2.303 178.093 175.800 -0.016 0.000 1.111 175 F CA 0.381 58.434 58.000 0.088 0.000 1.359 175 F CB 0.212 39.262 39.000 0.083 0.000 1.097 175 F HN 0.176 nan 8.300 nan 0.000 0.577 176 L N -1.363 119.951 121.223 0.151 0.000 2.599 176 L HA 0.071 4.410 4.340 -0.000 0.000 0.230 176 L C 0.883 177.807 176.870 0.091 0.000 1.141 176 L CA 0.311 55.193 54.840 0.070 0.000 0.877 176 L CB -0.293 41.825 42.059 0.099 0.000 1.009 176 L HN -0.004 nan 8.230 nan 0.000 0.447 177 S N -1.977 113.784 115.700 0.101 0.000 2.526 177 S HA 0.221 4.691 4.470 -0.000 0.000 0.293 177 S C 0.517 175.101 174.600 -0.027 0.000 1.092 177 S CA -0.646 57.574 58.200 0.033 0.000 0.980 177 S CB 1.259 64.456 63.200 -0.007 0.000 1.048 177 S HN 0.312 nan 8.310 nan 0.000 0.483 178 H N 3.544 122.558 119.070 -0.094 0.000 2.545 178 H HA 0.205 4.761 4.556 -0.000 0.000 0.282 178 H C 1.857 177.077 175.328 -0.179 0.000 1.020 178 H CA 1.285 57.283 56.048 -0.084 0.000 1.243 178 H CB 0.233 29.970 29.762 -0.042 0.000 1.377 178 H HN 0.445 nan 8.280 nan 0.000 0.581 179 R N -0.124 120.122 120.500 -0.423 0.000 2.127 179 R HA -0.131 4.208 4.340 -0.000 0.000 0.238 179 R C 2.070 178.039 176.300 -0.551 0.000 1.134 179 R CA 1.281 56.942 56.100 -0.731 0.000 0.975 179 R CB -0.589 28.711 30.300 -1.667 0.000 0.865 179 R HN 0.416 nan 8.270 nan 0.000 0.447 180 I N 0.790 121.144 120.570 -0.360 0.000 2.315 180 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 180 I C 2.013 178.125 176.117 -0.008 0.000 1.117 180 I CA 1.050 62.307 61.300 -0.071 0.000 1.404 180 I CB -0.070 37.739 38.000 -0.318 0.000 1.071 180 I HN -0.188 nan 8.210 nan 0.000 0.419 181 V N 0.573 120.403 119.914 -0.139 0.000 2.287 181 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 181 V C 2.390 178.505 176.094 0.035 0.000 1.053 181 V CA 2.351 64.619 62.300 -0.054 0.000 1.027 181 V CB -0.974 30.680 31.823 -0.282 0.000 0.646 181 V HN 0.460 nan 8.190 nan 0.000 0.447 182 D N -0.236 120.120 120.400 -0.073 0.000 2.144 182 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 182 D C 1.818 178.173 176.300 0.091 0.000 0.978 182 D CA 1.216 55.217 54.000 0.001 0.000 0.833 182 D CB -0.081 40.694 40.800 -0.040 0.000 0.961 182 D HN 0.448 nan 8.370 nan 0.000 0.470 183 D N -0.426 120.073 120.400 0.165 0.000 2.183 183 D HA -0.123 4.517 4.640 -0.000 0.000 0.203 183 D C 1.715 178.239 176.300 0.372 0.000 0.969 183 D CA 0.213 54.385 54.000 0.287 0.000 0.842 183 D CB -0.538 40.488 40.800 0.377 0.000 0.957 183 D HN 0.233 nan 8.370 nan 0.000 0.484 184 F N 0.860 120.924 119.950 0.190 0.000 2.293 184 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 184 F C 2.199 177.927 175.800 -0.119 0.000 1.086 184 F CA 0.542 58.528 58.000 -0.024 0.000 1.375 184 F CB -0.162 38.851 39.000 0.021 0.000 1.045 184 F HN 0.000 nan 8.300 nan 0.000 0.516 185 C N 0.276 119.558 119.300 -0.030 0.000 2.457 185 C HA -0.081 4.379 4.460 -0.000 0.000 0.278 185 C C 2.822 177.697 174.990 -0.191 0.000 1.309 185 C CA 0.981 59.926 59.018 -0.122 0.000 1.735 185 C CB -1.059 26.686 27.740 0.008 0.000 1.992 185 C HN 0.420 nan 8.230 nan 0.000 0.493 186 E N -0.744 119.408 120.200 -0.080 0.000 2.112 186 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 186 E C 1.686 178.253 176.600 -0.055 0.000 0.979 186 E CA 1.060 57.443 56.400 -0.028 0.000 0.814 186 E CB -0.652 29.085 29.700 0.060 0.000 0.762 186 E HN 0.894 nan 8.360 nan 0.000 0.460 187 Y N 1.324 121.450 120.300 -0.290 0.000 2.070 187 Y HA -0.289 4.261 4.550 -0.000 0.000 0.280 187 Y C 2.360 177.844 175.900 -0.694 0.000 1.148 187 Y CA 1.772 59.584 58.100 -0.479 0.000 1.125 187 Y CB -0.168 37.673 38.460 -1.032 0.000 0.975 187 Y HN 0.039 nan 8.280 nan 0.000 0.492 188 A N 0.449 122.526 122.820 -1.237 0.000 1.884 188 A HA -0.349 3.970 4.320 -0.000 0.000 0.219 188 A C 2.170 178.789 177.584 -1.608 0.000 1.197 188 A CA 2.319 53.378 52.037 -1.629 0.000 0.637 188 A CB -1.195 17.045 19.000 -1.268 0.000 0.827 188 A HN 0.735 nan 8.150 nan 0.000 0.450 189 E N -1.491 118.241 120.200 -0.781 0.000 2.031 189 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 189 E C 1.824 178.244 176.600 -0.300 0.000 0.994 189 E CA 1.304 57.457 56.400 -0.412 0.000 0.800 189 E CB -0.314 29.348 29.700 -0.063 0.000 0.752 189 E HN 0.557 nan 8.360 nan 0.000 0.447 190 F N 1.520 121.305 119.950 -0.275 0.000 2.045 190 F HA -0.384 4.143 4.527 -0.000 0.000 0.297 190 F C 2.356 178.066 175.800 -0.151 0.000 1.114 190 F CA 2.024 59.958 58.000 -0.110 0.000 1.207 190 F CB -0.836 38.141 39.000 -0.039 0.000 0.964 190 F HN 0.196 nan 8.300 nan 0.000 0.486 191 C N 0.562 119.632 119.300 -0.384 0.000 2.396 191 C HA -0.245 4.215 4.460 -0.000 0.000 0.281 191 C C 2.616 177.395 174.990 -0.350 0.000 1.208 191 C CA 1.324 60.118 59.018 -0.374 0.000 1.754 191 C CB -1.759 25.627 27.740 -0.591 0.000 2.044 191 C HN 0.561 nan 8.230 nan 0.000 0.449 192 F N 0.140 119.702 119.950 -0.647 0.000 2.087 192 F HA -0.237 4.289 4.527 -0.000 0.000 0.299 192 F C 2.322 177.905 175.800 -0.363 0.000 1.100 192 F CA 1.542 59.108 58.000 -0.723 0.000 1.226 192 F CB -1.533 36.474 39.000 -1.654 0.000 0.983 192 F HN 0.547 nan 8.300 nan 0.000 0.479 193 W N 1.523 122.653 121.300 -0.284 0.000 2.355 193 W HA -0.229 4.431 4.660 -0.000 0.000 0.309 193 W C 2.234 178.641 176.519 -0.187 0.000 1.206 193 W CA 2.000 59.386 57.345 0.068 0.000 1.284 193 W CB -0.442 29.055 29.460 0.060 0.000 1.145 193 W HN 0.105 nan 8.180 nan 0.000 0.502 194 E N 0.435 120.309 120.200 -0.543 0.000 2.031 194 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 194 E C 1.786 177.913 176.600 -0.789 0.000 0.994 194 E CA 2.158 57.988 56.400 -0.950 0.000 0.800 194 E CB -1.092 27.586 29.700 -1.702 0.000 0.752 194 E HN 0.249 nan 8.360 nan 0.000 0.447 195 F N -1.609 118.268 119.950 -0.122 0.000 2.712 195 F HA 0.386 4.912 4.527 -0.000 0.000 0.297 195 F C 2.049 177.904 175.800 0.091 0.000 1.114 195 F CA 0.359 58.319 58.000 -0.067 0.000 1.305 195 F CB -0.411 38.541 39.000 -0.081 0.000 1.086 195 F HN 0.113 nan 8.300 nan 0.000 0.599 196 G N -0.131 108.895 108.800 0.377 0.000 2.498 196 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 196 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 196 G C 0.961 176.029 174.900 0.279 0.000 1.119 196 G CA 0.804 46.210 45.100 0.510 0.000 0.766 196 G HN 0.146 nan 8.290 nan 0.000 0.552 197 D N -0.319 120.168 120.400 0.145 0.000 2.379 197 D HA 0.078 4.718 4.640 -0.000 0.000 0.243 197 D C 1.630 177.971 176.300 0.068 0.000 1.088 197 D CA 0.727 54.768 54.000 0.069 0.000 0.925 197 D CB 0.141 40.929 40.800 -0.019 0.000 0.888 197 D HN 0.367 nan 8.370 nan 0.000 0.529 198 K N -0.485 119.969 120.400 0.090 0.000 2.612 198 K HA 0.087 4.407 4.320 -0.000 0.000 0.199 198 K C -0.342 176.253 176.600 -0.009 0.000 1.520 198 K CA -0.103 56.212 56.287 0.045 0.000 1.039 198 K CB 1.565 34.109 32.500 0.072 0.000 1.286 198 K HN 0.007 nan 8.250 nan 0.000 0.622 199 I N -1.185 119.366 120.570 -0.032 0.000 2.509 199 I HA 0.406 4.575 4.170 -0.000 0.000 0.293 199 I C -0.373 175.618 176.117 -0.211 0.000 1.020 199 I CA -0.332 60.846 61.300 -0.203 0.000 1.088 199 I CB 1.771 39.496 38.000 -0.458 0.000 1.267 199 I HN -0.062 nan 8.210 nan 0.000 0.430 200 K N 4.705 124.927 120.400 -0.297 0.000 2.387 200 K HA 0.244 4.564 4.320 -0.000 0.000 0.203 200 K C -1.244 174.922 176.600 -0.724 0.000 1.030 200 K CA 0.072 56.124 56.287 -0.391 0.000 1.099 200 K CB 0.498 32.751 32.500 -0.411 0.000 0.863 200 K HN 0.555 nan 8.250 nan 0.000 0.529 201 Y N -0.345 119.791 120.300 -0.273 0.000 2.322 201 Y HA 0.262 4.812 4.550 -0.000 0.000 0.324 201 Y C -0.944 174.753 175.900 -0.337 0.000 1.027 201 Y CA -1.154 56.787 58.100 -0.265 0.000 1.179 201 Y CB 0.772 39.007 38.460 -0.377 0.000 1.136 201 Y HN -0.030 nan 8.280 nan 0.000 0.449 202 W N 1.630 122.962 121.300 0.054 0.000 2.666 202 W HA 0.717 5.377 4.660 -0.000 0.000 0.334 202 W C -0.410 176.142 176.519 0.056 0.000 1.051 202 W CA -0.628 56.698 57.345 -0.031 0.000 1.224 202 W CB 2.391 31.734 29.460 -0.196 0.000 1.405 202 W HN 0.212 nan 8.180 nan 0.000 0.513 203 T N 0.811 115.542 114.554 0.294 0.000 2.886 203 T HA 0.181 4.531 4.350 -0.000 0.000 0.292 203 T C 0.939 175.698 174.700 0.097 0.000 1.012 203 T CA -0.409 61.780 62.100 0.148 0.000 0.982 203 T CB 1.626 70.548 68.868 0.089 0.000 1.018 203 T HN 0.549 nan 8.240 nan 0.000 0.451 204 T N 0.651 115.255 114.554 0.082 0.000 2.755 204 T HA 0.241 4.590 4.350 -0.000 0.000 0.251 204 T C 0.262 174.767 174.700 -0.325 0.000 1.044 204 T CA 0.678 62.780 62.100 0.002 0.000 1.154 204 T CB -0.234 68.809 68.868 0.293 0.000 0.866 204 T HN 0.402 nan 8.240 nan 0.000 0.416 205 F N 1.791 121.806 119.950 0.109 0.000 2.507 205 F HA 0.513 5.040 4.527 -0.000 0.000 0.325 205 F C -0.105 175.655 175.800 -0.066 0.000 1.116 205 F CA -1.491 56.533 58.000 0.040 0.000 0.930 205 F CB 1.543 40.488 39.000 -0.092 0.000 1.146 205 F HN 0.121 nan 8.300 nan 0.000 0.447 206 N N 2.274 120.986 118.700 0.020 0.000 2.420 206 N HA 0.197 4.937 4.740 -0.000 0.000 0.249 206 N C -0.607 174.899 175.510 -0.007 0.000 1.033 206 N CA 0.037 52.971 53.050 -0.193 0.000 0.944 206 N CB 0.298 38.365 38.487 -0.700 0.000 1.113 206 N HN 0.700 nan 8.380 nan 0.000 0.502 207 E N 1.598 121.789 120.200 -0.015 0.000 2.320 207 E HA -0.159 4.191 4.350 -0.000 0.000 0.234 207 E C -1.734 174.881 176.600 0.025 0.000 1.183 207 E CA 0.016 56.450 56.400 0.057 0.000 0.713 207 E CB -0.433 29.421 29.700 0.256 0.000 1.226 207 E HN 0.690 nan 8.360 nan 0.000 0.382 208 P HA -0.254 nan 4.420 nan 0.000 0.218 208 P C 1.278 178.435 177.300 -0.239 0.000 1.148 208 P CA 1.501 64.427 63.100 -0.291 0.000 0.822 208 P CB -0.109 31.187 31.700 -0.673 0.000 0.784 209 H N 0.509 119.337 119.070 -0.403 0.000 2.290 209 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 209 H C 1.380 176.696 175.328 -0.020 0.000 1.087 209 H CA 2.495 58.569 56.048 0.045 0.000 1.291 209 H CB -0.694 29.223 29.762 0.259 0.000 1.369 209 H HN 0.009 nan 8.280 nan 0.000 0.492 210 T N 1.365 115.875 114.554 -0.073 0.000 2.622 210 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 210 T C 1.805 176.214 174.700 -0.485 0.000 1.047 210 T CA 1.599 63.549 62.100 -0.249 0.000 1.159 210 T CB -0.962 67.840 68.868 -0.111 0.000 0.863 210 T HN 0.336 nan 8.240 nan 0.000 0.422 211 F N 2.388 121.895 119.950 -0.737 0.000 2.063 211 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 211 F C 2.447 178.022 175.800 -0.374 0.000 1.105 211 F CA 1.617 59.146 58.000 -0.786 0.000 1.215 211 F CB -0.798 37.851 39.000 -0.586 0.000 0.972 211 F HN 0.161 nan 8.300 nan 0.000 0.483 212 A N -0.631 121.956 122.820 -0.389 0.000 1.930 212 A HA -0.008 4.311 4.320 -0.000 0.000 0.215 212 A C 2.250 179.615 177.584 -0.365 0.000 1.176 212 A CA 1.529 53.342 52.037 -0.374 0.000 0.632 212 A CB -1.197 17.586 19.000 -0.361 0.000 0.819 212 A HN 0.292 nan 8.150 nan 0.000 0.445 213 V N 1.148 120.778 119.914 -0.473 0.000 2.379 213 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 213 V C 1.964 177.807 176.094 -0.419 0.000 1.044 213 V CA 2.058 64.061 62.300 -0.495 0.000 1.036 213 V CB -0.911 30.543 31.823 -0.615 0.000 0.664 213 V HN 0.618 nan 8.190 nan 0.000 0.453 214 N N 0.222 118.605 118.700 -0.530 0.000 2.416 214 N HA -0.031 4.709 4.740 -0.000 0.000 0.177 214 N C 1.855 177.041 175.510 -0.541 0.000 1.036 214 N CA 0.961 53.612 53.050 -0.665 0.000 0.901 214 N CB 0.049 37.730 38.487 -1.342 0.000 0.976 214 N HN 0.529 nan 8.380 nan 0.000 0.444 215 G N 0.282 108.780 108.800 -0.503 0.000 2.395 215 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.214 215 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.214 215 G C 0.670 175.212 174.900 -0.596 0.000 1.177 215 G CA 0.523 45.258 45.100 -0.608 0.000 0.794 215 G HN 0.325 nan 8.290 nan 0.000 0.532 216 Y N -0.364 119.708 120.300 -0.380 0.000 2.660 216 Y HA 0.598 5.148 4.550 -0.000 0.000 0.254 216 Y C 1.700 177.477 175.900 -0.206 0.000 1.176 216 Y CA 0.001 57.947 58.100 -0.257 0.000 1.195 216 Y CB 0.917 39.240 38.460 -0.228 0.000 1.190 216 Y HN 0.304 nan 8.280 nan 0.000 0.535 217 A N -0.769 121.985 122.820 -0.111 0.000 1.852 217 A HA 0.247 4.567 4.320 -0.000 0.000 0.205 217 A C 1.286 178.813 177.584 -0.096 0.000 1.757 217 A CA 0.117 52.103 52.037 -0.086 0.000 1.088 217 A CB -0.210 18.729 19.000 -0.101 0.000 1.079 217 A HN 0.287 nan 8.150 nan 0.000 0.524 218 L N -0.165 120.959 121.223 -0.164 0.000 2.375 218 L HA 0.255 4.595 4.340 -0.000 0.000 0.215 218 L C 1.635 178.413 176.870 -0.153 0.000 1.108 218 L CA 0.721 55.463 54.840 -0.163 0.000 0.830 218 L CB -0.100 41.817 42.059 -0.237 0.000 0.959 218 L HN 0.624 nan 8.230 nan 0.000 0.457 219 G N 0.886 109.574 108.800 -0.188 0.000 2.249 219 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.273 219 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.273 219 G C 0.536 175.384 174.900 -0.088 0.000 1.036 219 G CA 0.552 45.561 45.100 -0.151 0.000 0.824 219 G HN 0.536 nan 8.290 nan 0.000 0.504 220 E N -1.588 118.498 120.200 -0.189 0.000 2.498 220 E HA 0.337 4.687 4.350 -0.000 0.000 0.203 220 E C -0.109 176.564 176.600 0.121 0.000 1.013 220 E CA -0.002 56.366 56.400 -0.053 0.000 0.927 220 E CB 0.637 30.196 29.700 -0.236 0.000 1.012 220 E HN 0.348 nan 8.360 nan 0.000 0.482 221 F N 0.217 119.793 119.950 -0.623 0.000 2.643 221 F HA 0.473 5.000 4.527 -0.000 0.000 0.314 221 F C -0.209 174.543 175.800 -1.747 0.000 1.096 221 F CA -2.314 55.083 58.000 -1.005 0.000 0.953 221 F CB 0.682 39.402 39.000 -0.467 0.000 1.345 221 F HN -0.251 nan 8.300 nan 0.000 0.468 222 A N 3.030 124.587 122.820 -2.104 0.000 2.565 222 A HA 0.320 4.640 4.320 -0.000 0.000 0.237 222 A C -1.830 175.237 177.584 -0.863 0.000 1.053 222 A CA -0.409 50.709 52.037 -1.531 0.000 0.755 222 A CB -0.544 17.580 19.000 -1.461 0.000 0.980 222 A HN 0.453 nan 8.150 nan 0.000 0.506 223 P HA 0.163 nan 4.420 nan 0.000 0.255 223 P C 0.661 177.746 177.300 -0.358 0.000 1.248 223 P CA 0.960 63.779 63.100 -0.469 0.000 0.807 223 P CB 0.261 31.754 31.700 -0.345 0.000 1.150 224 G N 0.597 109.081 108.800 -0.528 0.000 2.255 224 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.239 224 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.239 224 G C -0.193 174.600 174.900 -0.178 0.000 1.083 224 G CA -0.598 44.372 45.100 -0.217 0.000 0.826 224 G HN 0.358 nan 8.290 nan 0.000 0.493 225 R N -1.119 119.187 120.500 -0.324 0.000 2.758 225 R HA 0.775 5.115 4.340 -0.000 0.000 0.265 225 R C 1.420 177.638 176.300 -0.136 0.000 1.016 225 R CA -0.114 55.864 56.100 -0.204 0.000 1.040 225 R CB 1.511 31.678 30.300 -0.221 0.000 1.152 225 R HN 1.191 nan 8.270 nan 0.000 0.503 226 G N 0.325 109.088 108.800 -0.062 0.000 2.729 226 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 226 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 226 G C 0.576 175.454 174.900 -0.037 0.000 1.252 226 G CA -0.262 44.818 45.100 -0.034 0.000 0.751 226 G HN 0.907 nan 8.290 nan 0.000 0.527 227 G N 0.910 109.676 108.800 -0.057 0.000 2.732 227 G HA2 0.368 4.328 3.960 -0.000 0.000 0.244 227 G HA3 0.368 4.328 3.960 -0.000 0.000 0.244 227 G C 0.263 175.145 174.900 -0.030 0.000 1.226 227 G CA 0.303 45.375 45.100 -0.046 0.000 0.860 227 G HN 0.435 nan 8.290 nan 0.000 0.583 228 K N 0.356 120.741 120.400 -0.025 0.000 2.491 228 K HA 0.149 4.468 4.320 -0.000 0.000 0.279 228 K C 1.418 178.008 176.600 -0.016 0.000 1.026 228 K CA 1.335 57.611 56.287 -0.018 0.000 1.070 228 K CB 0.435 32.925 32.500 -0.016 0.000 0.887 228 K HN 1.167 nan 8.250 nan 0.000 0.481 229 G N 3.493 112.284 108.800 -0.015 0.000 2.234 229 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 229 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 229 G C 0.210 175.100 174.900 -0.016 0.000 0.987 229 G CA 0.385 45.477 45.100 -0.014 0.000 0.625 229 G HN 0.623 nan 8.290 nan 0.000 0.532 230 D N -0.001 120.388 120.400 -0.019 0.000 2.433 230 D HA 0.432 5.072 4.640 -0.000 0.000 0.255 230 D C 1.492 177.779 176.300 -0.021 0.000 1.226 230 D CA -0.349 53.636 54.000 -0.024 0.000 1.015 230 D CB 0.368 41.148 40.800 -0.034 0.000 1.091 230 D HN 0.232 nan 8.370 nan 0.000 0.527 231 E N -0.270 119.915 120.200 -0.026 0.000 2.340 231 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 231 E C 1.196 177.794 176.600 -0.003 0.000 0.996 231 E CA 0.022 56.413 56.400 -0.015 0.000 0.869 231 E CB 0.323 30.014 29.700 -0.016 0.000 0.835 231 E HN 0.435 nan 8.360 nan 0.000 0.493 232 G N 1.143 109.940 108.800 -0.006 0.000 2.481 232 G HA2 0.019 3.979 3.960 -0.000 0.000 0.251 232 G HA3 0.019 3.979 3.960 -0.000 0.000 0.251 232 G C -0.423 174.495 174.900 0.031 0.000 1.492 232 G CA -0.117 44.999 45.100 0.027 0.000 1.060 232 G HN 0.011 nan 8.290 nan 0.000 0.553 233 D N -1.240 119.188 120.400 0.048 0.000 2.736 233 D HA 0.335 4.975 4.640 -0.000 0.000 0.243 233 D C -2.080 174.249 176.300 0.050 0.000 1.304 233 D CA -1.660 52.364 54.000 0.041 0.000 0.934 233 D CB 2.274 43.099 40.800 0.042 0.000 1.382 233 D HN -0.053 nan 8.370 nan 0.000 0.571 234 P HA 0.135 nan 4.420 nan 0.000 0.231 234 P C 0.876 178.228 177.300 0.086 0.000 1.168 234 P CA 0.305 63.430 63.100 0.042 0.000 0.779 234 P CB 0.427 32.142 31.700 0.024 0.000 0.844 235 A N -0.222 122.657 122.820 0.098 0.000 1.930 235 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 235 A C 1.932 179.648 177.584 0.220 0.000 1.176 235 A CA 1.189 53.318 52.037 0.154 0.000 0.632 235 A CB -0.913 18.140 19.000 0.087 0.000 0.819 235 A HN 0.010 nan 8.150 nan 0.000 0.445 236 I N -0.284 120.374 120.570 0.146 0.000 2.499 236 I HA -0.037 4.133 4.170 -0.000 0.000 0.243 236 I C 2.186 178.390 176.117 0.146 0.000 1.085 236 I CA 0.780 62.171 61.300 0.152 0.000 1.422 236 I CB -1.929 36.114 38.000 0.072 0.000 1.165 236 I HN 0.355 nan 8.210 nan 0.000 0.440 237 E N 1.736 121.975 120.200 0.065 0.000 2.049 237 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 237 E C -0.345 176.181 176.600 -0.125 0.000 1.007 237 E CA 1.520 57.912 56.400 -0.014 0.000 0.809 237 E CB -1.746 27.986 29.700 0.055 0.000 0.749 237 E HN 0.383 nan 8.360 nan 0.000 0.450 238 P HA -0.186 nan 4.420 nan 0.000 0.216 238 P C 1.109 178.312 177.300 -0.161 0.000 1.153 238 P CA 1.387 64.320 63.100 -0.279 0.000 0.858 238 P CB -0.267 31.155 31.700 -0.464 0.000 0.789 239 Y N -1.013 119.353 120.300 0.109 0.000 2.274 239 Y HA -0.148 4.402 4.550 -0.000 0.000 0.290 239 Y C 2.346 178.242 175.900 -0.006 0.000 1.145 239 Y CA 0.802 58.977 58.100 0.125 0.000 1.203 239 Y CB -1.670 36.783 38.460 -0.012 0.000 0.984 239 Y HN -0.198 nan 8.280 nan 0.000 0.533 240 V N -1.383 118.578 119.914 0.077 0.000 2.379 240 V HA -0.204 3.915 4.120 -0.000 0.000 0.245 240 V C 2.207 178.301 176.094 -0.000 0.000 1.044 240 V CA 1.316 63.639 62.300 0.038 0.000 1.036 240 V CB -0.931 30.894 31.823 0.003 0.000 0.664 240 V HN 0.219 nan 8.190 nan 0.000 0.453 241 V N 1.122 120.945 119.914 -0.152 0.000 2.237 241 V HA -0.282 3.837 4.120 -0.000 0.000 0.245 241 V C 2.916 178.868 176.094 -0.237 0.000 1.046 241 V CA 2.761 64.918 62.300 -0.239 0.000 1.007 241 V CB -1.305 30.182 31.823 -0.559 0.000 0.638 241 V HN 0.775 nan 8.190 nan 0.000 0.445 242 T N -1.563 112.786 114.554 -0.342 0.000 2.915 242 T HA -0.289 4.060 4.350 -0.000 0.000 0.269 242 T C 1.832 176.383 174.700 -0.249 0.000 1.071 242 T CA 1.893 63.711 62.100 -0.471 0.000 1.132 242 T CB -0.583 67.607 68.868 -1.129 0.000 0.878 242 T HN 0.643 nan 8.240 nan 0.000 0.479 243 H N 1.687 120.668 119.070 -0.148 0.000 2.387 243 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 243 H C 2.206 177.553 175.328 0.031 0.000 1.099 243 H CA 2.030 58.084 56.048 0.009 0.000 1.315 243 H CB -0.352 29.397 29.762 -0.022 0.000 1.380 243 H HN 0.316 nan 8.280 nan 0.000 0.513 244 N N -0.044 118.652 118.700 -0.007 0.000 2.216 244 N HA -0.078 4.661 4.740 -0.000 0.000 0.183 244 N C 2.042 177.523 175.510 -0.047 0.000 1.017 244 N CA 1.146 54.208 53.050 0.021 0.000 0.861 244 N CB -0.113 38.465 38.487 0.151 0.000 0.986 244 N HN 0.431 nan 8.380 nan 0.000 0.428 245 I N 0.795 121.216 120.570 -0.248 0.000 2.226 245 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 245 I C 1.925 177.784 176.117 -0.430 0.000 1.100 245 I CA 0.824 61.728 61.300 -0.660 0.000 1.374 245 I CB -0.144 37.251 38.000 -1.008 0.000 1.057 245 I HN 0.056 nan 8.210 nan 0.000 0.413 246 L N -0.504 120.601 121.223 -0.198 0.000 2.056 246 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 246 L C 2.387 179.290 176.870 0.054 0.000 1.078 246 L CA 0.792 55.612 54.840 -0.034 0.000 0.749 246 L CB -0.471 41.608 42.059 0.033 0.000 0.901 246 L HN 0.226 nan 8.230 nan 0.000 0.433 247 L N -0.236 120.998 121.223 0.018 0.000 2.141 247 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 247 L C 2.658 179.600 176.870 0.119 0.000 1.094 247 L CA 1.890 56.776 54.840 0.076 0.000 0.763 247 L CB -1.468 40.630 42.059 0.066 0.000 0.908 247 L HN 0.184 nan 8.230 nan 0.000 0.437 248 A N -1.070 121.821 122.820 0.118 0.000 1.840 248 A HA -0.261 4.058 4.320 -0.000 0.000 0.214 248 A C 2.279 180.097 177.584 0.390 0.000 1.198 248 A CA 1.482 53.664 52.037 0.242 0.000 0.608 248 A CB -0.985 18.115 19.000 0.166 0.000 0.839 248 A HN 0.577 nan 8.150 nan 0.000 0.443 249 H N 0.104 119.373 119.070 0.331 0.000 2.394 249 H HA -0.222 4.334 4.556 -0.000 0.000 0.297 249 H C 1.991 177.458 175.328 0.232 0.000 1.113 249 H CA 2.419 58.706 56.048 0.398 0.000 1.277 249 H CB -0.103 29.833 29.762 0.290 0.000 1.370 249 H HN 0.488 nan 8.280 nan 0.000 0.506 250 K N -0.264 120.225 120.400 0.148 0.000 2.057 250 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 250 K C 2.297 178.907 176.600 0.017 0.000 1.049 250 K CA 1.084 57.401 56.287 0.049 0.000 0.931 250 K CB -0.261 32.297 32.500 0.096 0.000 0.714 250 K HN 0.410 nan 8.250 nan 0.000 0.440 251 A N 0.862 123.736 122.820 0.090 0.000 1.898 251 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 251 A C 2.287 179.915 177.584 0.074 0.000 1.183 251 A CA 1.397 53.487 52.037 0.089 0.000 0.622 251 A CB -0.635 18.436 19.000 0.120 0.000 0.824 251 A HN 0.441 nan 8.150 nan 0.000 0.444 252 A N -0.311 122.574 122.820 0.108 0.000 1.865 252 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 252 A C 2.238 179.842 177.584 0.033 0.000 1.191 252 A CA 2.014 54.082 52.037 0.053 0.000 0.623 252 A CB -1.064 18.009 19.000 0.122 0.000 0.826 252 A HN 0.392 nan 8.150 nan 0.000 0.444 253 V N -0.126 119.728 119.914 -0.100 0.000 2.295 253 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 253 V C 2.454 178.531 176.094 -0.029 0.000 1.049 253 V CA 2.346 64.563 62.300 -0.138 0.000 1.024 253 V CB -0.850 30.793 31.823 -0.300 0.000 0.648 253 V HN 0.645 nan 8.190 nan 0.000 0.447 254 E N -0.488 119.704 120.200 -0.012 0.000 2.058 254 E HA -0.230 4.119 4.350 -0.000 0.000 0.194 254 E C 2.359 178.985 176.600 0.043 0.000 0.997 254 E CA 1.241 57.650 56.400 0.016 0.000 0.801 254 E CB -0.154 29.557 29.700 0.018 0.000 0.746 254 E HN 0.491 nan 8.360 nan 0.000 0.450 255 E N 0.304 120.548 120.200 0.074 0.000 2.068 255 E HA -0.255 4.095 4.350 -0.000 0.000 0.207 255 E C 1.842 178.522 176.600 0.133 0.000 1.032 255 E CA 1.382 57.864 56.400 0.137 0.000 0.839 255 E CB -0.661 29.159 29.700 0.201 0.000 0.758 255 E HN 0.356 nan 8.360 nan 0.000 0.457 256 Y N 1.581 121.793 120.300 -0.147 0.000 2.036 256 Y HA -0.261 4.289 4.550 -0.000 0.000 0.273 256 Y C 2.628 178.444 175.900 -0.140 0.000 1.135 256 Y CA 2.325 60.174 58.100 -0.419 0.000 1.106 256 Y CB -0.198 37.752 38.460 -0.850 0.000 0.976 256 Y HN -0.010 nan 8.280 nan 0.000 0.483 257 R N -0.066 120.500 120.500 0.109 0.000 2.133 257 R HA -0.258 4.081 4.340 -0.000 0.000 0.245 257 R C 1.687 177.971 176.300 -0.025 0.000 1.137 257 R CA 1.942 58.079 56.100 0.061 0.000 0.947 257 R CB -0.945 29.384 30.300 0.048 0.000 0.865 257 R HN 0.430 nan 8.270 nan 0.000 0.437 258 N N 0.049 118.735 118.700 -0.022 0.000 2.354 258 N HA -0.053 4.687 4.740 -0.000 0.000 0.179 258 N C 1.128 176.584 175.510 -0.090 0.000 1.021 258 N CA 1.104 54.129 53.050 -0.041 0.000 0.887 258 N CB 0.168 38.643 38.487 -0.019 0.000 0.974 258 N HN 0.308 nan 8.380 nan 0.000 0.437 259 K N -1.997 118.336 120.400 -0.111 0.000 2.464 259 K HA 0.259 4.579 4.320 -0.000 0.000 0.206 259 K C 0.231 176.481 176.600 -0.584 0.000 1.186 259 K CA 0.134 56.251 56.287 -0.283 0.000 0.990 259 K CB 0.746 33.115 32.500 -0.220 0.000 1.003 259 K HN 0.022 nan 8.250 nan 0.000 0.562 260 F N 0.282 119.976 119.950 -0.427 0.000 2.658 260 F HA 0.133 4.660 4.527 -0.000 0.000 0.293 260 F C 2.261 177.690 175.800 -0.619 0.000 0.986 260 F CA -0.232 57.412 58.000 -0.594 0.000 1.182 260 F CB 0.051 38.462 39.000 -0.981 0.000 0.965 260 F HN -0.195 nan 8.300 nan 0.000 0.659 261 Q N 1.743 121.247 119.800 -0.494 0.000 2.082 261 Q HA -0.311 4.029 4.340 -0.000 0.000 0.211 261 Q C 2.232 178.201 176.000 -0.052 0.000 1.002 261 Q CA 2.738 58.462 55.803 -0.132 0.000 0.868 261 Q CB -0.225 28.540 28.738 0.045 0.000 0.931 261 Q HN 0.292 nan 8.270 nan 0.000 0.414 262 K N -0.932 119.422 120.400 -0.076 0.000 2.089 262 K HA -0.240 4.079 4.320 -0.000 0.000 0.210 262 K C 1.753 178.326 176.600 -0.045 0.000 1.048 262 K CA 1.885 58.141 56.287 -0.053 0.000 0.926 262 K CB -0.210 32.249 32.500 -0.069 0.000 0.714 262 K HN 0.482 nan 8.250 nan 0.000 0.448 263 C N 0.308 119.570 119.300 -0.064 0.000 2.684 263 C HA 0.088 4.548 4.460 -0.000 0.000 0.283 263 C C 2.447 177.431 174.990 -0.009 0.000 1.346 263 C CA 0.048 59.040 59.018 -0.044 0.000 1.707 263 C CB -0.979 26.722 27.740 -0.066 0.000 2.137 263 C HN 0.493 nan 8.230 nan 0.000 0.544 264 Q N 2.023 121.832 119.800 0.015 0.000 2.437 264 Q HA -0.074 4.265 4.340 -0.000 0.000 0.210 264 Q C 0.258 176.297 176.000 0.065 0.000 0.972 264 Q CA 0.885 56.729 55.803 0.068 0.000 0.903 264 Q CB -0.619 28.211 28.738 0.155 0.000 0.967 264 Q HN 0.839 nan 8.270 nan 0.000 0.486 265 E N -0.306 119.925 120.200 0.052 0.000 2.149 265 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 265 E C -0.051 176.578 176.600 0.049 0.000 1.384 265 E CA 0.396 56.826 56.400 0.050 0.000 0.698 265 E CB -1.962 27.748 29.700 0.018 0.000 1.086 265 E HN 0.383 nan 8.360 nan 0.000 0.338 266 G N 0.385 109.280 108.800 0.159 0.000 2.938 266 G HA2 0.577 4.537 3.960 -0.000 0.000 0.258 266 G HA3 0.577 4.537 3.960 -0.000 0.000 0.258 266 G C -1.027 173.930 174.900 0.095 0.000 1.356 266 G CA -0.738 44.416 45.100 0.090 0.000 1.052 266 G HN 0.163 nan 8.290 nan 0.000 0.550 267 E N -1.032 119.165 120.200 -0.005 0.000 2.274 267 E HA 0.391 4.741 4.350 -0.000 0.000 0.269 267 E C -0.976 175.753 176.600 0.214 0.000 0.891 267 E CA -0.469 56.014 56.400 0.138 0.000 0.784 267 E CB 1.920 31.813 29.700 0.322 0.000 1.225 267 E HN 0.467 nan 8.360 nan 0.000 0.412 268 I N 1.100 121.635 120.570 -0.058 0.000 2.428 268 I HA 0.868 5.037 4.170 -0.000 0.000 0.296 268 I C 0.824 176.832 176.117 -0.182 0.000 0.985 268 I CA -0.318 60.924 61.300 -0.097 0.000 1.260 268 I CB 1.527 39.320 38.000 -0.346 0.000 1.389 268 I HN 0.453 nan 8.210 nan 0.000 0.484 269 G N 4.247 112.715 108.800 -0.552 0.000 2.911 269 G HA2 0.789 4.749 3.960 -0.000 0.000 0.299 269 G HA3 0.789 4.749 3.960 -0.000 0.000 0.299 269 G C -1.698 172.979 174.900 -0.372 0.000 1.283 269 G CA -0.676 43.845 45.100 -0.966 0.000 0.805 269 G HN 0.709 nan 8.290 nan 0.000 0.548 270 I N 0.300 120.648 120.570 -0.370 0.000 2.656 270 I HA 0.535 4.705 4.170 -0.000 0.000 0.292 270 I C -0.825 175.184 176.117 -0.180 0.000 1.144 270 I CA -1.209 59.991 61.300 -0.166 0.000 1.038 270 I CB 2.190 40.017 38.000 -0.288 0.000 1.244 270 I HN 0.522 nan 8.210 nan 0.000 0.420 271 V N 6.590 126.445 119.914 -0.097 0.000 2.394 271 V HA 0.654 4.774 4.120 -0.000 0.000 0.282 271 V C -0.757 175.265 176.094 -0.119 0.000 1.031 271 V CA -0.278 61.979 62.300 -0.073 0.000 0.881 271 V CB 1.310 33.116 31.823 -0.028 0.000 0.982 271 V HN 0.656 nan 8.190 nan 0.000 0.451 272 L N 4.514 125.676 121.223 -0.101 0.000 2.267 272 L HA 0.753 5.093 4.340 -0.000 0.000 0.264 272 L C -0.336 176.536 176.870 0.002 0.000 1.021 272 L CA -0.913 53.851 54.840 -0.126 0.000 0.861 272 L CB 2.232 44.200 42.059 -0.153 0.000 1.443 272 L HN 0.983 nan 8.230 nan 0.000 0.475 273 N N -0.631 118.096 118.700 0.046 0.000 2.591 273 N HA 0.502 5.242 4.740 -0.000 0.000 0.263 273 N C -1.513 174.090 175.510 0.155 0.000 1.308 273 N CA -0.440 52.696 53.050 0.144 0.000 0.837 273 N CB 2.375 40.980 38.487 0.197 0.000 1.548 273 N HN 0.508 nan 8.380 nan 0.000 0.493 274 S N -0.251 115.587 115.700 0.230 0.000 2.567 274 S HA 0.522 4.992 4.470 -0.000 0.000 0.270 274 S C -1.260 173.517 174.600 0.295 0.000 1.152 274 S CA -0.751 57.584 58.200 0.225 0.000 0.835 274 S CB 1.089 64.432 63.200 0.238 0.000 1.115 274 S HN 0.534 nan 8.310 nan 0.000 0.459 275 M N 2.818 122.570 119.600 0.254 0.000 2.291 275 M HA 0.305 4.784 4.480 -0.000 0.000 0.324 275 M C -0.024 176.469 176.300 0.322 0.000 1.148 275 M CA -0.399 55.043 55.300 0.236 0.000 1.104 275 M CB 0.635 33.336 32.600 0.168 0.000 1.483 275 M HN 0.701 nan 8.290 nan 0.000 0.467 276 W N 3.729 125.195 121.300 0.277 0.000 2.202 276 W HA 0.280 4.940 4.660 -0.000 0.000 0.332 276 W C -1.636 174.934 176.519 0.085 0.000 1.263 276 W CA -0.503 56.960 57.345 0.197 0.000 1.223 276 W CB 1.004 30.596 29.460 0.220 0.000 1.128 276 W HN 0.489 nan 8.180 nan 0.000 0.573 277 M N 5.440 124.355 119.600 -1.142 0.000 2.044 277 M HA 0.192 4.672 4.480 -0.000 0.000 0.333 277 M C -0.446 175.257 176.300 -0.994 0.000 1.004 277 M CA -0.362 54.447 55.300 -0.818 0.000 0.954 277 M CB 1.008 33.239 32.600 -0.614 0.000 1.468 277 M HN 0.329 nan 8.290 nan 0.000 0.414 278 E N 4.736 124.755 120.200 -0.302 0.000 2.146 278 E HA 0.425 4.774 4.350 -0.000 0.000 0.282 278 E C -2.368 174.314 176.600 0.136 0.000 0.989 278 E CA -1.653 54.833 56.400 0.143 0.000 0.799 278 E CB 1.694 31.653 29.700 0.432 0.000 1.088 278 E HN 0.261 nan 8.360 nan 0.000 0.397 279 P HA -0.052 nan 4.420 nan 0.000 0.264 279 P C 0.899 178.310 177.300 0.186 0.000 1.193 279 P CA -0.062 63.097 63.100 0.099 0.000 0.763 279 P CB 0.563 32.306 31.700 0.071 0.000 0.810 280 L N 3.662 124.967 121.223 0.137 0.000 2.042 280 L HA -0.138 4.201 4.340 -0.000 0.000 0.210 280 L C 0.771 177.647 176.870 0.011 0.000 1.076 280 L CA 2.181 57.063 54.840 0.071 0.000 0.749 280 L CB -0.464 41.592 42.059 -0.006 0.000 0.893 280 L HN 0.498 nan 8.230 nan 0.000 0.432 281 S N -3.330 112.382 115.700 0.020 0.000 2.732 281 S HA 0.324 4.794 4.470 -0.000 0.000 0.293 281 S C -0.028 174.588 174.600 0.028 0.000 1.159 281 S CA -0.621 57.587 58.200 0.013 0.000 0.847 281 S CB 0.953 64.147 63.200 -0.010 0.000 1.169 281 S HN 0.081 nan 8.310 nan 0.000 0.501 282 D N 0.785 121.198 120.400 0.022 0.000 2.370 282 D HA 0.271 4.911 4.640 -0.000 0.000 0.230 282 D C 0.133 176.443 176.300 0.016 0.000 1.143 282 D CA 0.100 54.116 54.000 0.026 0.000 0.834 282 D CB -0.116 40.699 40.800 0.025 0.000 0.944 282 D HN 0.356 nan 8.370 nan 0.000 0.504 283 V N 0.624 120.544 119.914 0.009 0.000 3.083 283 V HA 0.030 4.149 4.120 -0.000 0.000 0.306 283 V C 1.754 177.850 176.094 0.004 0.000 1.077 283 V CA -0.428 61.874 62.300 0.003 0.000 1.073 283 V CB 1.596 33.417 31.823 -0.004 0.000 1.081 283 V HN -0.035 nan 8.190 nan 0.000 0.474 284 Q N 2.008 121.810 119.800 0.002 0.000 2.079 284 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 284 Q C 2.085 178.081 176.000 -0.006 0.000 0.974 284 Q CA 2.110 57.914 55.803 0.002 0.000 0.840 284 Q CB -0.607 28.133 28.738 0.003 0.000 0.898 284 Q HN 0.944 nan 8.270 nan 0.000 0.430 285 A N 0.501 123.314 122.820 -0.012 0.000 1.927 285 A HA -0.312 4.008 4.320 -0.000 0.000 0.220 285 A C 1.667 179.234 177.584 -0.028 0.000 1.185 285 A CA 2.294 54.317 52.037 -0.023 0.000 0.639 285 A CB -0.972 18.013 19.000 -0.026 0.000 0.820 285 A HN 0.602 nan 8.150 nan 0.000 0.451 286 D N -0.536 119.852 120.400 -0.021 0.000 2.123 286 D HA -0.025 4.615 4.640 -0.000 0.000 0.200 286 D C 1.736 178.022 176.300 -0.023 0.000 0.976 286 D CA 1.039 55.026 54.000 -0.021 0.000 0.831 286 D CB -0.233 40.564 40.800 -0.005 0.000 0.974 286 D HN 0.496 nan 8.370 nan 0.000 0.469 287 I N 1.134 121.699 120.570 -0.008 0.000 2.163 287 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 287 I C 1.618 177.725 176.117 -0.017 0.000 1.085 287 I CA 1.247 62.544 61.300 -0.004 0.000 1.347 287 I CB -0.120 37.889 38.000 0.015 0.000 1.044 287 I HN -0.037 nan 8.210 nan 0.000 0.408 288 D N 0.798 121.190 120.400 -0.014 0.000 2.144 288 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 288 D C 2.230 178.510 176.300 -0.035 0.000 0.984 288 D CA 1.449 55.441 54.000 -0.013 0.000 0.834 288 D CB -0.228 40.565 40.800 -0.011 0.000 0.955 288 D HN 0.380 nan 8.370 nan 0.000 0.465 289 A N 0.961 123.747 122.820 -0.055 0.000 1.933 289 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 289 A C 2.133 179.652 177.584 -0.108 0.000 1.175 289 A CA 1.746 53.732 52.037 -0.086 0.000 0.628 289 A CB -0.668 18.280 19.000 -0.088 0.000 0.814 289 A HN 0.288 nan 8.150 nan 0.000 0.444 290 Q N -0.757 118.970 119.800 -0.122 0.000 2.119 290 Q HA -0.230 4.110 4.340 -0.000 0.000 0.201 290 Q C 1.976 177.871 176.000 -0.176 0.000 0.972 290 Q CA 1.791 57.469 55.803 -0.209 0.000 0.847 290 Q CB -0.121 28.462 28.738 -0.257 0.000 0.903 290 Q HN 0.377 nan 8.270 nan 0.000 0.433 291 K N 0.971 121.324 120.400 -0.078 0.000 2.009 291 K HA -0.107 4.212 4.320 -0.000 0.000 0.210 291 K C 2.114 178.754 176.600 0.066 0.000 1.049 291 K CA 1.675 57.973 56.287 0.018 0.000 0.929 291 K CB -0.171 32.361 32.500 0.052 0.000 0.714 291 K HN 0.216 nan 8.250 nan 0.000 0.440 292 R N -0.435 120.084 120.500 0.032 0.000 2.070 292 R HA -0.082 4.258 4.340 -0.000 0.000 0.233 292 R C 2.299 178.643 176.300 0.073 0.000 1.137 292 R CA 1.344 57.482 56.100 0.064 0.000 0.945 292 R CB -0.608 29.641 30.300 -0.086 0.000 0.845 292 R HN 0.260 nan 8.270 nan 0.000 0.430 293 A N 1.476 124.269 122.820 -0.045 0.000 1.892 293 A HA -0.190 4.129 4.320 -0.000 0.000 0.218 293 A C 2.121 179.732 177.584 0.046 0.000 1.188 293 A CA 1.285 53.292 52.037 -0.050 0.000 0.631 293 A CB -0.512 18.413 19.000 -0.126 0.000 0.822 293 A HN 0.118 nan 8.150 nan 0.000 0.447 294 L N -0.097 121.139 121.223 0.021 0.000 2.005 294 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 294 L C 2.063 179.092 176.870 0.264 0.000 1.072 294 L CA 2.141 57.041 54.840 0.100 0.000 0.744 294 L CB -1.641 40.424 42.059 0.009 0.000 0.895 294 L HN 0.371 nan 8.230 nan 0.000 0.433 295 D N -0.519 120.059 120.400 0.296 0.000 2.126 295 D HA -0.252 4.388 4.640 -0.000 0.000 0.190 295 D C 2.115 178.582 176.300 0.279 0.000 1.001 295 D CA 1.424 55.618 54.000 0.323 0.000 0.841 295 D CB -0.321 40.658 40.800 0.299 0.000 0.949 295 D HN 0.210 nan 8.370 nan 0.000 0.446 296 F N -0.166 119.836 119.950 0.087 0.000 2.408 296 F HA -0.019 4.508 4.527 -0.000 0.000 0.300 296 F C 2.353 178.276 175.800 0.205 0.000 1.090 296 F CA 0.701 58.717 58.000 0.026 0.000 1.427 296 F CB -0.054 38.874 39.000 -0.120 0.000 1.070 296 F HN -0.038 nan 8.300 nan 0.000 0.549 297 M N -2.195 117.619 119.600 0.355 0.000 2.740 297 M HA 0.106 4.586 4.480 -0.000 0.000 0.253 297 M C 1.246 177.713 176.300 0.278 0.000 1.341 297 M CA 0.807 56.227 55.300 0.201 0.000 1.176 297 M CB 0.235 32.823 32.600 -0.020 0.000 1.310 297 M HN 0.142 nan 8.290 nan 0.000 0.531 298 L N -0.575 120.827 121.223 0.300 0.000 2.515 298 L HA 0.489 4.829 4.340 -0.000 0.000 0.202 298 L C 2.106 179.126 176.870 0.249 0.000 1.056 298 L CA 1.463 56.469 54.840 0.277 0.000 0.847 298 L CB -0.780 41.418 42.059 0.232 0.000 1.131 298 L HN 0.274 nan 8.230 nan 0.000 0.484 299 G N -0.872 108.088 108.800 0.268 0.000 2.442 299 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 299 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 299 G C 1.327 176.387 174.900 0.268 0.000 1.141 299 G CA 0.715 45.954 45.100 0.231 0.000 0.763 299 G HN 0.502 nan 8.290 nan 0.000 0.554 300 W N 1.026 122.357 121.300 0.052 0.000 2.292 300 W HA -0.136 4.524 4.660 -0.000 0.000 0.304 300 W C 1.790 178.163 176.519 -0.244 0.000 1.228 300 W CA 1.320 58.595 57.345 -0.116 0.000 1.241 300 W CB -0.555 28.756 29.460 -0.248 0.000 1.142 300 W HN 0.262 nan 8.180 nan 0.000 0.520 301 F N -2.254 117.800 119.950 0.174 0.000 2.479 301 F HA 0.003 4.530 4.527 -0.000 0.000 0.280 301 F C 2.137 177.852 175.800 -0.143 0.000 0.982 301 F CA 0.096 58.062 58.000 -0.056 0.000 1.276 301 F CB -1.428 37.477 39.000 -0.158 0.000 1.137 301 F HN -0.386 nan 8.300 nan 0.000 0.660 302 L N 0.972 122.154 121.223 -0.069 0.000 1.971 302 L HA -0.233 4.106 4.340 -0.000 0.000 0.215 302 L C 2.404 179.147 176.870 -0.212 0.000 1.072 302 L CA 1.930 56.550 54.840 -0.366 0.000 0.758 302 L CB -1.259 40.210 42.059 -0.984 0.000 0.889 302 L HN 0.158 nan 8.230 nan 0.000 0.433 303 E N -0.446 119.696 120.200 -0.098 0.000 2.068 303 E HA -0.218 4.132 4.350 -0.000 0.000 0.207 303 E C -0.455 176.169 176.600 0.040 0.000 1.032 303 E CA 2.063 58.564 56.400 0.168 0.000 0.839 303 E CB -1.170 28.701 29.700 0.284 0.000 0.758 303 E HN 0.272 nan 8.360 nan 0.000 0.457 304 P HA -0.186 nan 4.420 nan 0.000 0.216 304 P C 0.993 178.192 177.300 -0.168 0.000 1.157 304 P CA 1.467 64.404 63.100 -0.271 0.000 0.880 304 P CB -0.099 31.364 31.700 -0.396 0.000 0.791 305 L N -2.276 118.909 121.223 -0.062 0.000 2.622 305 L HA -0.036 4.304 4.340 -0.000 0.000 0.233 305 L C 1.622 178.605 176.870 0.188 0.000 1.156 305 L CA 0.892 55.776 54.840 0.073 0.000 0.866 305 L CB -0.886 41.222 42.059 0.082 0.000 0.980 305 L HN 0.097 nan 8.230 nan 0.000 0.448 306 T N -2.332 112.301 114.554 0.131 0.000 3.571 306 T HA -0.041 4.308 4.350 -0.000 0.000 0.217 306 T C 1.788 176.543 174.700 0.092 0.000 0.925 306 T CA 0.918 63.126 62.100 0.180 0.000 1.376 306 T CB -0.138 68.907 68.868 0.295 0.000 1.375 306 T HN 0.278 nan 8.240 nan 0.000 0.404 307 T N -0.323 114.279 114.554 0.081 0.000 3.023 307 T HA 0.332 4.682 4.350 -0.000 0.000 0.266 307 T C 1.682 176.366 174.700 -0.028 0.000 1.093 307 T CA 0.953 63.074 62.100 0.037 0.000 1.129 307 T CB -0.337 68.566 68.868 0.060 0.000 0.899 307 T HN 0.828 nan 8.240 nan 0.000 0.491 308 G N 0.755 109.494 108.800 -0.102 0.000 2.131 308 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.201 308 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.201 308 G C -0.483 174.249 174.900 -0.279 0.000 1.000 308 G CA -0.021 44.939 45.100 -0.234 0.000 0.680 308 G HN 0.757 nan 8.290 nan 0.000 0.514 309 D N -1.506 118.779 120.400 -0.191 0.000 2.623 309 D HA 0.529 5.169 4.640 -0.000 0.000 0.241 309 D C -0.386 175.905 176.300 -0.015 0.000 1.241 309 D CA -0.585 53.378 54.000 -0.061 0.000 0.788 309 D CB 0.842 41.676 40.800 0.058 0.000 1.413 309 D HN -0.028 nan 8.370 nan 0.000 0.429 310 Y N 0.802 121.238 120.300 0.227 0.000 2.314 310 Y HA 0.323 4.873 4.550 -0.000 0.000 0.334 310 Y C -1.430 174.543 175.900 0.122 0.000 1.266 310 Y CA -1.575 56.634 58.100 0.182 0.000 1.391 310 Y CB -0.046 38.517 38.460 0.173 0.000 1.306 310 Y HN 0.114 nan 8.280 nan 0.000 0.558 311 P HA -0.064 nan 4.420 nan 0.000 0.261 311 P C 0.212 177.602 177.300 0.150 0.000 1.173 311 P CA 0.229 63.453 63.100 0.207 0.000 0.760 311 P CB 0.702 32.515 31.700 0.188 0.000 0.783 312 K N 2.670 123.149 120.400 0.133 0.000 2.074 312 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 312 K C 2.060 178.717 176.600 0.095 0.000 1.048 312 K CA 2.199 58.547 56.287 0.102 0.000 0.926 312 K CB -0.838 31.714 32.500 0.086 0.000 0.713 312 K HN 0.562 nan 8.250 nan 0.000 0.444 313 S N 0.100 115.873 115.700 0.121 0.000 2.380 313 S HA -0.265 4.205 4.470 -0.000 0.000 0.229 313 S C 2.023 176.744 174.600 0.202 0.000 1.043 313 S CA 1.763 60.059 58.200 0.160 0.000 1.038 313 S CB -0.427 62.897 63.200 0.207 0.000 0.872 313 S HN 0.250 nan 8.310 nan 0.000 0.456 314 M N 0.581 120.220 119.600 0.065 0.000 2.156 314 M HA 0.082 4.562 4.480 -0.000 0.000 0.264 314 M C 2.751 178.998 176.300 -0.089 0.000 1.067 314 M CA 1.003 56.198 55.300 -0.174 0.000 1.131 314 M CB -0.323 31.933 32.600 -0.572 0.000 1.368 314 M HN 0.204 nan 8.290 nan 0.000 0.416 315 R N 0.397 120.884 120.500 -0.022 0.000 2.127 315 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 315 R C 1.876 178.168 176.300 -0.014 0.000 1.134 315 R CA 1.458 57.551 56.100 -0.012 0.000 0.975 315 R CB -0.362 29.967 30.300 0.048 0.000 0.865 315 R HN 0.381 nan 8.270 nan 0.000 0.447 316 E N 0.163 120.374 120.200 0.018 0.000 2.112 316 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 316 E C 1.875 178.480 176.600 0.007 0.000 0.979 316 E CA 0.717 57.127 56.400 0.018 0.000 0.814 316 E CB 0.143 29.865 29.700 0.036 0.000 0.762 316 E HN 0.206 nan 8.360 nan 0.000 0.460 317 L N -1.001 120.242 121.223 0.033 0.000 2.286 317 L HA 0.028 4.367 4.340 -0.000 0.000 0.203 317 L C 1.855 178.717 176.870 -0.013 0.000 1.068 317 L CA 0.289 55.148 54.840 0.032 0.000 0.811 317 L CB 0.202 42.322 42.059 0.102 0.000 0.989 317 L HN 0.030 nan 8.230 nan 0.000 0.467 318 V N -1.032 118.844 119.914 -0.063 0.000 3.052 318 V HA -0.049 4.071 4.120 -0.000 0.000 0.254 318 V C 1.352 177.322 176.094 -0.206 0.000 1.100 318 V CA 0.420 62.590 62.300 -0.217 0.000 1.112 318 V CB -0.385 31.126 31.823 -0.520 0.000 0.738 318 V HN 0.343 nan 8.190 nan 0.000 0.469 319 K N 0.501 120.817 120.400 -0.139 0.000 1.770 319 K HA -0.328 3.991 4.320 -0.000 0.000 0.116 319 K C 1.564 178.082 176.600 -0.136 0.000 1.151 319 K CA 2.049 58.272 56.287 -0.107 0.000 0.383 319 K CB -1.970 30.484 32.500 -0.076 0.000 0.607 319 K HN 0.411 nan 8.250 nan 0.000 0.907 320 G N 0.012 108.743 108.800 -0.115 0.000 2.559 320 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.216 320 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.216 320 G C 1.019 175.831 174.900 -0.147 0.000 1.126 320 G CA 0.990 46.022 45.100 -0.112 0.000 0.778 320 G HN 0.321 nan 8.290 nan 0.000 0.543 321 R N -1.111 119.271 120.500 -0.196 0.000 2.310 321 R HA 0.222 4.562 4.340 -0.000 0.000 0.202 321 R C -0.124 175.957 176.300 -0.365 0.000 0.933 321 R CA -0.269 55.692 56.100 -0.231 0.000 1.054 321 R CB 0.091 30.256 30.300 -0.224 0.000 0.985 321 R HN 0.263 nan 8.270 nan 0.000 0.489 322 L N 2.608 123.598 121.223 -0.388 0.000 2.283 322 L HA 0.362 4.702 4.340 -0.000 0.000 0.281 322 L C -2.263 174.432 176.870 -0.291 0.000 1.033 322 L CA -2.428 52.154 54.840 -0.429 0.000 0.848 322 L CB 0.876 42.642 42.059 -0.489 0.000 1.226 322 L HN -0.165 nan 8.230 nan 0.000 0.429 323 P HA 0.039 nan 4.420 nan 0.000 0.269 323 P C -1.258 175.771 177.300 -0.452 0.000 1.211 323 P CA 0.035 62.846 63.100 -0.481 0.000 0.781 323 P CB 0.490 31.676 31.700 -0.856 0.000 0.877 324 K N 1.069 121.258 120.400 -0.351 0.000 2.118 324 K HA 0.518 4.838 4.320 -0.000 0.000 0.254 324 K C -0.363 176.148 176.600 -0.150 0.000 0.961 324 K CA -0.516 55.677 56.287 -0.157 0.000 0.876 324 K CB 0.882 33.354 32.500 -0.046 0.000 1.077 324 K HN 0.269 nan 8.250 nan 0.000 0.440 325 F N 1.237 121.269 119.950 0.136 0.000 2.408 325 F HA 0.152 4.679 4.527 -0.000 0.000 0.344 325 F C 1.099 176.937 175.800 0.063 0.000 1.112 325 F CA -0.518 57.562 58.000 0.134 0.000 1.096 325 F CB 1.470 40.499 39.000 0.049 0.000 1.129 325 F HN 0.563 nan 8.300 nan 0.000 0.486 326 S N 2.021 117.858 115.700 0.227 0.000 2.580 326 S HA 0.250 4.720 4.470 -0.000 0.000 0.266 326 S C 1.239 175.908 174.600 0.115 0.000 1.354 326 S CA -0.351 57.925 58.200 0.127 0.000 1.008 326 S CB 1.060 64.308 63.200 0.081 0.000 0.898 326 S HN 0.835 nan 8.310 nan 0.000 0.555 327 A N 0.827 123.690 122.820 0.072 0.000 1.917 327 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 327 A C 1.864 179.473 177.584 0.042 0.000 1.182 327 A CA 2.179 54.248 52.037 0.052 0.000 0.633 327 A CB -1.363 17.658 19.000 0.035 0.000 0.819 327 A HN 0.966 nan 8.150 nan 0.000 0.448 328 D N -0.435 119.991 120.400 0.043 0.000 2.084 328 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 328 D C 1.414 177.733 176.300 0.031 0.000 0.985 328 D CA 1.419 55.438 54.000 0.032 0.000 0.826 328 D CB -0.261 40.559 40.800 0.034 0.000 0.978 328 D HN 0.327 nan 8.370 nan 0.000 0.456 329 D N -0.464 119.972 120.400 0.060 0.000 2.133 329 D HA -0.177 4.462 4.640 -0.000 0.000 0.192 329 D C 2.054 178.326 176.300 -0.048 0.000 1.001 329 D CA 1.038 55.073 54.000 0.058 0.000 0.844 329 D CB -0.663 40.252 40.800 0.193 0.000 0.944 329 D HN 0.065 nan 8.370 nan 0.000 0.447 330 S N -0.349 115.327 115.700 -0.040 0.000 2.359 330 S HA -0.241 4.229 4.470 -0.000 0.000 0.223 330 S C 1.825 176.364 174.600 -0.101 0.000 1.039 330 S CA 1.706 59.831 58.200 -0.125 0.000 1.042 330 S CB -0.153 63.027 63.200 -0.032 0.000 0.915 330 S HN 0.177 nan 8.310 nan 0.000 0.439 331 E N 0.997 121.170 120.200 -0.045 0.000 2.047 331 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 331 E C 1.956 178.533 176.600 -0.037 0.000 0.987 331 E CA 1.163 57.543 56.400 -0.034 0.000 0.799 331 E CB -0.011 29.680 29.700 -0.014 0.000 0.752 331 E HN 0.313 nan 8.360 nan 0.000 0.449 332 K N -0.072 120.309 120.400 -0.030 0.000 2.442 332 K HA -0.065 4.255 4.320 -0.000 0.000 0.198 332 K C 1.977 178.559 176.600 -0.030 0.000 1.042 332 K CA 0.539 56.813 56.287 -0.021 0.000 0.958 332 K CB 0.022 32.520 32.500 -0.003 0.000 0.766 332 K HN 0.261 nan 8.250 nan 0.000 0.474 333 L N 0.843 122.024 121.223 -0.070 0.000 2.307 333 L HA 0.013 4.353 4.340 -0.000 0.000 0.211 333 L C 0.436 177.275 176.870 -0.051 0.000 1.099 333 L CA 0.329 55.115 54.840 -0.090 0.000 0.816 333 L CB 0.149 42.050 42.059 -0.263 0.000 0.952 333 L HN -0.016 nan 8.230 nan 0.000 0.455 334 K N 0.682 121.049 120.400 -0.056 0.000 2.436 334 K HA 0.135 4.455 4.320 -0.000 0.000 0.282 334 K C 0.953 177.544 176.600 -0.016 0.000 1.044 334 K CA 0.699 56.972 56.287 -0.022 0.000 1.028 334 K CB 0.119 32.604 32.500 -0.026 0.000 0.919 334 K HN 0.253 nan 8.250 nan 0.000 0.474 335 G N 2.648 111.454 108.800 0.009 0.000 2.283 335 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.280 335 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.280 335 G C 0.284 175.038 174.900 -0.244 0.000 1.029 335 G CA 0.138 45.149 45.100 -0.148 0.000 0.840 335 G HN 0.723 nan 8.290 nan 0.000 0.505 336 C N 1.725 121.003 119.300 -0.036 0.000 2.700 336 C HA 0.743 5.203 4.460 -0.000 0.000 0.529 336 C C 0.218 175.363 174.990 0.257 0.000 1.093 336 C CA -0.213 58.838 59.018 0.055 0.000 1.320 336 C CB -2.514 25.296 27.740 0.117 0.000 1.478 336 C HN 0.914 nan 8.230 nan 0.000 0.598 337 Y N -0.577 119.777 120.300 0.090 0.000 2.687 337 Y HA 0.456 5.006 4.550 -0.000 0.000 0.338 337 Y C -0.201 175.719 175.900 0.033 0.000 1.189 337 Y CA -1.076 57.061 58.100 0.062 0.000 1.097 337 Y CB 0.173 38.650 38.460 0.030 0.000 1.342 337 Y HN 0.013 nan 8.280 nan 0.000 0.461 338 D N 1.118 121.604 120.400 0.144 0.000 2.338 338 D HA 0.182 4.822 4.640 -0.000 0.000 0.208 338 D C -0.531 176.070 176.300 0.500 0.000 0.997 338 D CA 1.471 55.606 54.000 0.224 0.000 0.880 338 D CB 0.495 41.467 40.800 0.286 0.000 0.980 338 D HN 0.429 nan 8.370 nan 0.000 0.509 339 F N -1.146 119.100 119.950 0.493 0.000 2.719 339 F HA 0.454 4.981 4.527 -0.000 0.000 0.309 339 F C -1.642 174.326 175.800 0.280 0.000 1.138 339 F CA -1.514 56.749 58.000 0.438 0.000 0.943 339 F CB 0.813 40.068 39.000 0.424 0.000 1.304 339 F HN -0.427 nan 8.300 nan 0.000 0.445 340 I N 2.478 123.169 120.570 0.202 0.000 2.321 340 I HA 0.516 4.686 4.170 -0.000 0.000 0.291 340 I C 0.761 177.074 176.117 0.327 0.000 0.998 340 I CA -0.849 60.450 61.300 -0.002 0.000 1.227 340 I CB 0.641 38.538 38.000 -0.172 0.000 1.368 340 I HN 0.907 nan 8.210 nan 0.000 0.466 341 G N 5.527 114.503 108.800 0.293 0.000 2.476 341 G HA2 0.514 4.473 3.960 -0.000 0.000 0.269 341 G HA3 0.514 4.473 3.960 -0.000 0.000 0.269 341 G C -0.657 174.326 174.900 0.139 0.000 1.195 341 G CA -0.425 44.836 45.100 0.268 0.000 0.843 341 G HN 0.551 nan 8.290 nan 0.000 0.545 342 M N 1.397 121.088 119.600 0.152 0.000 2.183 342 M HA 0.353 4.833 4.480 -0.000 0.000 0.277 342 M C -1.541 174.846 176.300 0.144 0.000 0.995 342 M CA -0.685 54.700 55.300 0.141 0.000 0.969 342 M CB 1.754 34.458 32.600 0.172 0.000 1.659 342 M HN 0.350 nan 8.290 nan 0.000 0.462 343 N N 3.882 122.652 118.700 0.116 0.000 2.422 343 N HA 0.341 5.081 4.740 -0.000 0.000 0.266 343 N C -1.953 173.617 175.510 0.101 0.000 1.007 343 N CA -0.072 53.014 53.050 0.059 0.000 0.941 343 N CB 0.814 39.347 38.487 0.077 0.000 1.115 343 N HN 0.611 nan 8.380 nan 0.000 0.492 344 Y N 1.849 122.050 120.300 -0.166 0.000 2.409 344 Y HA 0.360 4.909 4.550 -0.000 0.000 0.343 344 Y C -0.546 175.152 175.900 -0.336 0.000 0.973 344 Y CA -0.590 57.473 58.100 -0.061 0.000 1.064 344 Y CB 0.879 39.400 38.460 0.102 0.000 1.207 344 Y HN 0.585 nan 8.280 nan 0.000 0.452 345 Y N 1.544 121.531 120.300 -0.522 0.000 2.723 345 Y HA 0.313 4.863 4.550 -0.000 0.000 0.272 345 Y C 0.886 176.407 175.900 -0.633 0.000 1.142 345 Y CA 0.401 58.309 58.100 -0.321 0.000 1.217 345 Y CB 1.192 39.702 38.460 0.083 0.000 1.391 345 Y HN 0.577 nan 8.280 nan 0.000 0.479 346 T N -0.697 113.345 114.554 -0.854 0.000 2.693 346 T HA 0.780 5.130 4.350 -0.000 0.000 0.304 346 T C -1.995 172.544 174.700 -0.267 0.000 1.471 346 T CA -0.143 61.659 62.100 -0.497 0.000 0.993 346 T CB 1.245 69.811 68.868 -0.503 0.000 1.554 346 T HN 0.149 nan 8.240 nan 0.000 0.496 347 A N 0.771 123.557 122.820 -0.058 0.000 2.498 347 A HA 0.809 5.128 4.320 -0.000 0.000 0.298 347 A C -0.618 176.963 177.584 -0.005 0.000 1.075 347 A CA -0.559 51.515 52.037 0.063 0.000 0.714 347 A CB 2.087 21.171 19.000 0.141 0.000 1.299 347 A HN 0.740 nan 8.150 nan 0.000 0.407 348 T N 0.532 115.056 114.554 -0.050 0.000 2.876 348 T HA 0.598 4.948 4.350 -0.000 0.000 0.289 348 T C -1.034 173.546 174.700 -0.199 0.000 1.014 348 T CA -0.182 61.820 62.100 -0.163 0.000 0.986 348 T CB 0.254 68.956 68.868 -0.277 0.000 1.021 348 T HN 0.369 nan 8.240 nan 0.000 0.458 349 Y N 1.995 122.268 120.300 -0.045 0.000 2.578 349 Y HA 0.423 4.972 4.550 -0.000 0.000 0.339 349 Y C 0.697 176.528 175.900 -0.115 0.000 1.231 349 Y CA -0.050 58.028 58.100 -0.036 0.000 1.461 349 Y CB 0.518 38.970 38.460 -0.013 0.000 1.323 349 Y HN 0.256 nan 8.280 nan 0.000 0.590 350 V N 1.811 121.763 119.914 0.064 0.000 2.962 350 V HA 0.646 4.766 4.120 -0.000 0.000 0.313 350 V C -0.270 175.807 176.094 -0.028 0.000 1.099 350 V CA -0.371 61.905 62.300 -0.040 0.000 0.971 350 V CB 2.599 34.354 31.823 -0.112 0.000 1.028 350 V HN 0.921 nan 8.190 nan 0.000 0.430 351 T N 2.272 116.791 114.554 -0.059 0.000 2.711 351 T HA 0.351 4.701 4.350 -0.000 0.000 0.302 351 T C -1.368 173.287 174.700 -0.075 0.000 1.373 351 T CA -0.571 61.495 62.100 -0.056 0.000 1.000 351 T CB 1.726 70.567 68.868 -0.045 0.000 1.483 351 T HN 0.602 nan 8.240 nan 0.000 0.499 352 N N 0.922 119.582 118.700 -0.066 0.000 2.520 352 N HA 0.613 5.353 4.740 -0.000 0.000 0.273 352 N C -0.090 175.375 175.510 -0.075 0.000 1.155 352 N CA 0.094 53.100 53.050 -0.073 0.000 0.967 352 N CB 1.424 39.876 38.487 -0.059 0.000 1.092 352 N HN 0.790 nan 8.380 nan 0.000 0.457 362 S N 0.261 115.980 115.700 0.030 0.000 2.565 362 S HA 0.358 4.828 4.470 -0.000 0.000 0.269 362 S C 0.325 174.977 174.600 0.087 0.000 1.153 362 S CA -0.463 57.778 58.200 0.068 0.000 0.835 362 S CB 1.456 64.676 63.200 0.034 0.000 1.122 362 S HN 0.468 nan 8.310 nan 0.000 0.462 363 Y N 2.283 122.582 120.300 -0.003 0.000 2.224 363 Y HA -0.018 4.532 4.550 -0.000 0.000 0.289 363 Y C 2.009 177.874 175.900 -0.058 0.000 1.146 363 Y CA 2.312 60.389 58.100 -0.039 0.000 1.182 363 Y CB -0.093 38.178 38.460 -0.314 0.000 0.983 363 Y HN 0.758 nan 8.280 nan 0.000 0.524 364 E N 0.019 120.174 120.200 -0.076 0.000 2.097 364 E HA -0.191 4.158 4.350 -0.000 0.000 0.196 364 E C 2.216 178.648 176.600 -0.280 0.000 1.000 364 E CA 2.184 58.479 56.400 -0.175 0.000 0.804 364 E CB -0.544 29.129 29.700 -0.045 0.000 0.740 364 E HN 0.728 nan 8.360 nan 0.000 0.454 365 T N -1.409 113.020 114.554 -0.209 0.000 3.054 365 T HA -0.026 4.324 4.350 -0.000 0.000 0.259 365 T C 1.272 175.799 174.700 -0.290 0.000 1.092 365 T CA 0.651 62.624 62.100 -0.211 0.000 1.121 365 T CB -0.072 68.719 68.868 -0.128 0.000 0.912 365 T HN -0.119 nan 8.240 nan 0.000 0.489 366 D N 3.022 123.239 120.400 -0.305 0.000 2.190 366 D HA -0.091 4.548 4.640 -0.000 0.000 0.200 366 D C 0.961 176.827 176.300 -0.723 0.000 0.992 366 D CA 1.207 55.022 54.000 -0.308 0.000 0.854 366 D CB -0.377 40.428 40.800 0.009 0.000 0.936 366 D HN 0.685 nan 8.370 nan 0.000 0.462 367 D N 1.054 120.752 120.400 -1.171 0.000 2.619 367 D HA -0.043 4.597 4.640 -0.000 0.000 0.224 367 D C -0.277 175.653 176.300 -0.617 0.000 1.133 367 D CA -0.216 52.986 54.000 -1.331 0.000 1.017 367 D CB -0.336 39.654 40.800 -1.348 0.000 1.077 367 D HN 0.037 nan 8.370 nan 0.000 0.503 368 Q N 0.463 120.002 119.800 -0.435 0.000 1.561 368 Q HA 0.001 4.341 4.340 -0.000 0.000 0.080 368 Q C -0.550 175.317 176.000 -0.221 0.000 0.632 368 Q CA 0.376 56.017 55.803 -0.270 0.000 1.090 368 Q CB -0.271 28.352 28.738 -0.192 0.000 1.390 368 Q HN 0.349 nan 8.270 nan 0.000 0.280 369 V N 1.222 120.989 119.914 -0.246 0.000 2.349 369 V HA 0.137 4.256 4.120 -0.000 0.000 0.284 369 V C 0.107 176.103 176.094 -0.162 0.000 1.014 369 V CA -0.806 61.380 62.300 -0.191 0.000 0.826 369 V CB 1.811 33.513 31.823 -0.200 0.000 1.009 369 V HN 0.246 nan 8.190 nan 0.000 0.431 370 T N 5.306 119.783 114.554 -0.129 0.000 2.853 370 T HA 0.222 4.572 4.350 -0.000 0.000 0.298 370 T C 0.065 174.694 174.700 -0.117 0.000 0.978 370 T CA -0.018 62.015 62.100 -0.112 0.000 1.152 370 T CB 0.255 69.069 68.868 -0.090 0.000 0.914 370 T HN 0.535 nan 8.240 nan 0.000 0.539 371 K N 1.861 122.180 120.400 -0.136 0.000 2.110 371 K HA 0.675 4.995 4.320 -0.000 0.000 0.263 371 K C 0.192 176.650 176.600 -0.236 0.000 0.975 371 K CA -0.744 55.430 56.287 -0.188 0.000 0.895 371 K CB 1.583 33.959 32.500 -0.207 0.000 1.060 371 K HN 0.629 nan 8.250 nan 0.000 0.448 372 T N 0.675 115.052 114.554 -0.294 0.000 3.047 372 T HA 0.333 4.683 4.350 -0.000 0.000 0.340 372 T C -0.822 173.728 174.700 -0.251 0.000 1.421 372 T CA -0.700 61.233 62.100 -0.279 0.000 1.090 372 T CB 0.357 69.174 68.868 -0.085 0.000 1.292 372 T HN 0.460 nan 8.240 nan 0.000 0.480 373 F N 1.310 121.284 119.950 0.039 0.000 2.732 373 F HA 0.418 4.945 4.527 -0.000 0.000 0.303 373 F C 0.957 176.861 175.800 0.173 0.000 1.110 373 F CA -0.476 57.497 58.000 -0.045 0.000 1.355 373 F CB 0.528 39.263 39.000 -0.443 0.000 1.081 373 F HN 0.379 nan 8.300 nan 0.000 0.565 374 E N -0.446 119.919 120.200 0.276 0.000 2.176 374 E HA 0.353 4.702 4.350 -0.000 0.000 0.267 374 E C 0.550 177.045 176.600 -0.175 0.000 0.893 374 E CA -0.484 55.985 56.400 0.116 0.000 0.761 374 E CB 1.937 31.684 29.700 0.078 0.000 1.133 374 E HN -0.093 nan 8.360 nan 0.000 0.409 375 R N 2.585 122.878 120.500 -0.345 0.000 2.036 375 R HA 0.176 4.515 4.340 -0.000 0.000 0.216 375 R C 0.010 176.177 176.300 -0.222 0.000 1.241 375 R CA 1.114 56.892 56.100 -0.535 0.000 0.964 375 R CB -0.061 29.946 30.300 -0.488 0.000 0.828 375 R HN 0.345 nan 8.270 nan 0.000 0.468 376 N N 0.592 119.221 118.700 -0.118 0.000 2.914 376 N HA 0.152 4.892 4.740 -0.000 0.000 0.304 376 N C -1.051 174.447 175.510 -0.019 0.000 1.727 376 N CA 0.011 53.027 53.050 -0.058 0.000 0.986 376 N CB 0.588 39.052 38.487 -0.040 0.000 1.297 376 N HN 0.333 nan 8.380 nan 0.000 0.490 377 Q N -1.286 118.507 119.800 -0.012 0.000 2.196 377 Q HA -0.340 4.000 4.340 -0.000 0.000 0.191 377 Q C -0.077 175.954 176.000 0.052 0.000 0.656 377 Q CA 1.298 57.115 55.803 0.024 0.000 1.453 377 Q CB -1.000 27.753 28.738 0.025 0.000 1.707 377 Q HN 0.529 nan 8.270 nan 0.000 0.731 378 K N 2.715 123.143 120.400 0.047 0.000 2.447 378 K HA 0.109 4.429 4.320 -0.000 0.000 0.281 378 K C -2.189 174.501 176.600 0.150 0.000 1.031 378 K CA -1.103 55.239 56.287 0.091 0.000 1.019 378 K CB 0.665 33.216 32.500 0.085 0.000 0.918 378 K HN -0.090 nan 8.250 nan 0.000 0.476 379 P HA -0.075 nan 4.420 nan 0.000 0.271 379 P C 0.706 178.197 177.300 0.319 0.000 1.218 379 P CA 0.047 63.292 63.100 0.243 0.000 0.780 379 P CB 0.666 32.504 31.700 0.229 0.000 0.901 380 I N 0.373 121.152 120.570 0.348 0.000 2.335 380 I HA -0.060 4.110 4.170 -0.000 0.000 0.251 380 I C 0.738 176.952 176.117 0.163 0.000 1.129 380 I CA 1.617 63.050 61.300 0.222 0.000 1.402 380 I CB -0.311 37.524 38.000 -0.275 0.000 1.069 380 I HN 0.545 nan 8.210 nan 0.000 0.424 381 G N -1.218 107.687 108.800 0.176 0.000 2.506 381 G HA2 0.165 4.124 3.960 -0.000 0.000 0.292 381 G HA3 0.165 4.124 3.960 -0.000 0.000 0.292 381 G C -1.617 173.435 174.900 0.253 0.000 1.425 381 G CA -0.617 44.598 45.100 0.191 0.000 0.788 381 G HN 0.185 nan 8.290 nan 0.000 0.490 382 H N 0.334 119.468 119.070 0.107 0.000 2.928 382 H HA 0.386 4.942 4.556 -0.000 0.000 0.338 382 H C 0.406 175.682 175.328 -0.087 0.000 1.047 382 H CA 0.744 56.820 56.048 0.045 0.000 1.435 382 H CB 1.155 30.936 29.762 0.032 0.000 1.428 382 H HN 0.633 nan 8.280 nan 0.000 0.590 383 A N 7.898 130.310 122.820 -0.680 0.000 2.415 383 A HA 0.274 4.594 4.320 -0.000 0.000 0.309 383 A C 0.393 177.636 177.584 -0.568 0.000 1.356 383 A CA -0.607 50.938 52.037 -0.820 0.000 0.998 383 A CB -0.266 18.342 19.000 -0.654 0.000 1.145 383 A HN 0.689 nan 8.150 nan 0.000 0.545 384 L N 1.463 122.433 121.223 -0.423 0.000 2.474 384 L HA -0.010 4.330 4.340 -0.000 0.000 0.259 384 L C 1.821 178.604 176.870 -0.144 0.000 1.232 384 L CA -0.055 54.669 54.840 -0.194 0.000 0.821 384 L CB 0.143 42.102 42.059 -0.167 0.000 1.108 384 L HN 0.923 nan 8.230 nan 0.000 0.495 385 Y N 1.291 121.508 120.300 -0.139 0.000 2.096 385 Y HA -0.327 4.223 4.550 -0.000 0.000 0.278 385 Y C 2.002 177.866 175.900 -0.060 0.000 1.192 385 Y CA 2.028 60.075 58.100 -0.088 0.000 1.143 385 Y CB -0.346 38.074 38.460 -0.067 0.000 0.963 385 Y HN 0.712 nan 8.280 nan 0.000 0.505 386 G N -1.248 107.337 108.800 -0.358 0.000 2.450 386 G HA2 0.016 3.975 3.960 -0.000 0.000 0.220 386 G HA3 0.016 3.975 3.960 -0.000 0.000 0.220 386 G C 1.546 176.286 174.900 -0.267 0.000 1.130 386 G CA 0.844 45.691 45.100 -0.422 0.000 0.760 386 G HN 1.187 nan 8.290 nan 0.000 0.557 387 G N -1.798 106.877 108.800 -0.208 0.000 2.234 387 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.235 387 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.235 387 G C 0.939 175.814 174.900 -0.042 0.000 0.997 387 G CA 0.845 45.871 45.100 -0.123 0.000 0.623 387 G HN 0.533 nan 8.290 nan 0.000 0.514 388 W N 0.975 122.161 121.300 -0.190 0.000 2.726 388 W HA 0.472 5.132 4.660 -0.000 0.000 0.285 388 W C 1.289 177.665 176.519 -0.239 0.000 1.110 388 W CA 1.186 58.460 57.345 -0.118 0.000 1.579 388 W CB 0.040 29.535 29.460 0.059 0.000 1.118 388 W HN 0.241 nan 8.180 nan 0.000 0.556 389 Q N 1.570 121.288 119.800 -0.137 0.000 2.271 389 Q HA 0.053 4.393 4.340 -0.000 0.000 0.273 389 Q C -1.477 174.234 176.000 -0.481 0.000 1.051 389 Q CA 0.569 56.161 55.803 -0.352 0.000 0.901 389 Q CB 0.200 28.887 28.738 -0.085 0.000 1.174 389 Q HN 0.170 nan 8.270 nan 0.000 0.385 390 H N 0.618 119.434 119.070 -0.423 0.000 2.572 390 H HA 0.294 4.849 4.556 -0.000 0.000 0.359 390 H C -0.910 174.383 175.328 -0.058 0.000 1.134 390 H CA -0.762 55.128 56.048 -0.263 0.000 1.187 390 H CB 1.639 31.193 29.762 -0.346 0.000 1.597 390 H HN 0.468 nan 8.280 nan 0.000 0.524 391 V N 1.498 121.515 119.914 0.172 0.000 2.415 391 V HA 0.338 4.458 4.120 -0.000 0.000 0.267 391 V C -0.280 175.894 176.094 0.133 0.000 1.042 391 V CA -0.517 61.971 62.300 0.313 0.000 1.000 391 V CB -0.077 31.962 31.823 0.360 0.000 1.015 391 V HN 0.499 nan 8.190 nan 0.000 0.478 392 V N 4.761 124.727 119.914 0.086 0.000 2.383 392 V HA 0.322 4.442 4.120 -0.000 0.000 0.261 392 V C -1.763 174.116 176.094 -0.359 0.000 0.987 392 V CA -1.117 60.995 62.300 -0.313 0.000 0.853 392 V CB 0.849 32.351 31.823 -0.534 0.000 1.095 392 V HN 0.610 nan 8.190 nan 0.000 0.461 393 P HA -0.136 nan 4.420 nan 0.000 0.218 393 P C 1.507 178.553 177.300 -0.423 0.000 1.148 393 P CA 1.615 64.211 63.100 -0.841 0.000 0.822 393 P CB 0.103 31.450 31.700 -0.588 0.000 0.784 394 W N -1.492 119.681 121.300 -0.211 0.000 3.047 394 W HA 0.277 4.937 4.660 -0.000 0.000 0.250 394 W C 1.278 177.671 176.519 -0.210 0.000 1.314 394 W CA 0.331 57.572 57.345 -0.173 0.000 1.540 394 W CB -1.480 27.896 29.460 -0.141 0.000 1.127 394 W HN -0.128 nan 8.180 nan 0.000 0.679 395 G N 2.244 110.832 108.800 -0.354 0.000 2.421 395 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 395 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 395 G C 1.543 176.098 174.900 -0.574 0.000 1.143 395 G CA 0.615 45.519 45.100 -0.327 0.000 0.784 395 G HN 0.265 nan 8.290 nan 0.000 0.541 396 L N -0.740 119.877 121.223 -1.009 0.000 2.017 396 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 396 L C 2.536 179.225 176.870 -0.301 0.000 1.073 396 L CA 1.656 55.970 54.840 -0.877 0.000 0.745 396 L CB -0.336 41.404 42.059 -0.533 0.000 0.894 396 L HN 0.362 nan 8.230 nan 0.000 0.432 397 Y N 1.071 121.207 120.300 -0.274 0.000 2.014 397 Y HA -0.354 4.195 4.550 -0.000 0.000 0.270 397 Y C 2.643 178.404 175.900 -0.230 0.000 1.145 397 Y CA 1.918 59.919 58.100 -0.166 0.000 1.106 397 Y CB -0.399 37.995 38.460 -0.110 0.000 0.968 397 Y HN 0.005 nan 8.280 nan 0.000 0.484 398 K N -0.127 119.998 120.400 -0.458 0.000 2.107 398 K HA -0.266 4.054 4.320 -0.000 0.000 0.211 398 K C 2.045 178.166 176.600 -0.798 0.000 1.049 398 K CA 2.046 57.778 56.287 -0.924 0.000 0.927 398 K CB -0.976 30.522 32.500 -1.671 0.000 0.714 398 K HN 0.431 nan 8.250 nan 0.000 0.452 399 L N 1.259 122.237 121.223 -0.408 0.000 2.027 399 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 399 L C 2.190 179.179 176.870 0.198 0.000 1.074 399 L CA 1.307 56.290 54.840 0.238 0.000 0.745 399 L CB -0.531 41.763 42.059 0.391 0.000 0.898 399 L HN 0.072 nan 8.230 nan 0.000 0.433 400 L N -1.225 120.010 121.223 0.020 0.000 1.990 400 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 400 L C 2.538 179.393 176.870 -0.024 0.000 1.072 400 L CA 1.546 56.400 54.840 0.024 0.000 0.755 400 L CB -0.715 41.340 42.059 -0.007 0.000 0.889 400 L HN 0.133 nan 8.230 nan 0.000 0.432 401 V N -1.109 118.687 119.914 -0.196 0.000 2.392 401 V HA -0.365 3.754 4.120 -0.000 0.000 0.249 401 V C 2.148 178.231 176.094 -0.018 0.000 1.059 401 V CA 2.047 64.229 62.300 -0.196 0.000 1.051 401 V CB -0.543 31.005 31.823 -0.458 0.000 0.658 401 V HN 0.475 nan 8.190 nan 0.000 0.455 402 Y N 1.098 121.385 120.300 -0.021 0.000 2.181 402 Y HA -0.261 4.289 4.550 -0.000 0.000 0.288 402 Y C 2.622 178.583 175.900 0.102 0.000 1.146 402 Y CA 2.203 60.377 58.100 0.123 0.000 1.164 402 Y CB -0.222 38.480 38.460 0.404 0.000 0.982 402 Y HN 0.308 nan 8.280 nan 0.000 0.515 403 T N 0.517 115.127 114.554 0.094 0.000 2.821 403 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 403 T C 1.796 176.488 174.700 -0.013 0.000 1.046 403 T CA 1.400 63.552 62.100 0.088 0.000 1.139 403 T CB -0.202 68.783 68.868 0.195 0.000 0.871 403 T HN 0.250 nan 8.240 nan 0.000 0.454 404 K N 1.112 121.492 120.400 -0.032 0.000 1.978 404 K HA -0.175 4.144 4.320 -0.000 0.000 0.214 404 K C 2.389 178.840 176.600 -0.248 0.000 1.049 404 K CA 1.731 57.976 56.287 -0.069 0.000 0.939 404 K CB -0.222 32.262 32.500 -0.027 0.000 0.721 404 K HN 0.249 nan 8.250 nan 0.000 0.441 405 E N -0.699 119.356 120.200 -0.242 0.000 2.169 405 E HA -0.205 4.145 4.350 -0.000 0.000 0.202 405 E C 1.640 177.898 176.600 -0.570 0.000 1.016 405 E CA 2.533 58.742 56.400 -0.318 0.000 0.817 405 E CB 0.080 29.684 29.700 -0.161 0.000 0.736 405 E HN 0.517 nan 8.360 nan 0.000 0.462 406 T N -2.381 111.751 114.554 -0.703 0.000 3.039 406 T HA 0.022 4.372 4.350 -0.000 0.000 0.250 406 T C 0.791 174.883 174.700 -1.015 0.000 1.052 406 T CA 0.427 61.959 62.100 -0.946 0.000 1.125 406 T CB 0.017 68.041 68.868 -1.405 0.000 0.908 406 T HN 0.137 nan 8.240 nan 0.000 0.473 407 Y N 0.625 120.747 120.300 -0.297 0.000 2.641 407 Y HA 0.324 4.873 4.550 -0.000 0.000 0.248 407 Y C 0.215 176.161 175.900 0.076 0.000 1.170 407 Y CA -1.462 56.606 58.100 -0.054 0.000 1.201 407 Y CB -0.473 37.979 38.460 -0.014 0.000 1.232 407 Y HN 0.260 nan 8.280 nan 0.000 0.537 408 H N 0.053 119.176 119.070 0.089 0.000 2.284 408 H HA -0.147 4.409 4.556 -0.000 0.000 0.322 408 H C 0.170 175.592 175.328 0.156 0.000 0.973 408 H CA 0.862 56.965 56.048 0.091 0.000 1.076 408 H CB -1.061 28.740 29.762 0.064 0.000 1.596 408 H HN 0.252 nan 8.280 nan 0.000 0.361 409 V N 1.672 121.736 119.914 0.249 0.000 2.439 409 V HA 0.185 4.305 4.120 -0.000 0.000 0.282 409 V C -1.227 175.011 176.094 0.240 0.000 1.039 409 V CA -1.454 61.029 62.300 0.307 0.000 0.913 409 V CB 1.786 33.775 31.823 0.277 0.000 0.983 409 V HN 0.065 nan 8.190 nan 0.000 0.460 410 P HA -0.098 nan 4.420 nan 0.000 0.211 410 P C -0.152 177.237 177.300 0.148 0.000 1.181 410 P CA 1.491 64.693 63.100 0.171 0.000 0.929 410 P CB -0.111 31.682 31.700 0.155 0.000 0.789 411 V N -0.858 119.175 119.914 0.198 0.000 2.540 411 V HA 0.406 4.525 4.120 -0.000 0.000 0.302 411 V C -0.472 175.685 176.094 0.105 0.000 1.035 411 V CA -0.850 61.502 62.300 0.087 0.000 0.873 411 V CB 1.914 33.797 31.823 0.100 0.000 0.992 411 V HN -0.121 nan 8.190 nan 0.000 0.428 412 L N 4.496 125.686 121.223 -0.054 0.000 2.362 412 L HA 0.688 5.028 4.340 -0.000 0.000 0.271 412 L C -0.969 175.804 176.870 -0.162 0.000 1.002 412 L CA -0.744 54.111 54.840 0.025 0.000 0.818 412 L CB 1.754 43.857 42.059 0.072 0.000 1.298 412 L HN 0.659 nan 8.230 nan 0.000 0.420 413 Y N 0.830 121.179 120.300 0.082 0.000 2.425 413 Y HA 0.446 4.996 4.550 -0.000 0.000 0.344 413 Y C 0.222 176.191 175.900 0.115 0.000 0.969 413 Y CA -1.016 57.097 58.100 0.022 0.000 1.052 413 Y CB 1.941 40.334 38.460 -0.111 0.000 1.215 413 Y HN 0.142 nan 8.280 nan 0.000 0.451 414 V N 3.212 123.335 119.914 0.347 0.000 2.364 414 V HA 0.006 4.126 4.120 -0.000 0.000 0.252 414 V C 0.632 176.900 176.094 0.289 0.000 1.075 414 V CA 0.603 63.100 62.300 0.328 0.000 1.033 414 V CB -0.367 31.722 31.823 0.443 0.000 1.116 414 V HN 1.082 nan 8.190 nan 0.000 0.488 415 T N 1.297 115.955 114.554 0.174 0.000 3.051 415 T HA 0.195 4.545 4.350 -0.000 0.000 0.255 415 T C 0.495 175.258 174.700 0.104 0.000 1.085 415 T CA 0.134 62.257 62.100 0.038 0.000 1.109 415 T CB 0.416 69.229 68.868 -0.092 0.000 0.921 415 T HN 0.609 nan 8.240 nan 0.000 0.488 416 E N 0.762 121.023 120.200 0.100 0.000 2.260 416 E HA 0.571 4.921 4.350 -0.000 0.000 0.266 416 E C -1.607 174.991 176.600 -0.004 0.000 0.887 416 E CA -0.407 56.070 56.400 0.128 0.000 0.777 416 E CB 2.055 31.792 29.700 0.061 0.000 1.205 416 E HN 0.124 nan 8.360 nan 0.000 0.414 417 S N 2.073 117.841 115.700 0.114 0.000 2.566 417 S HA 0.855 5.324 4.470 -0.000 0.000 0.273 417 S C -0.959 173.934 174.600 0.488 0.000 1.157 417 S CA -0.119 58.163 58.200 0.136 0.000 0.938 417 S CB 1.496 64.766 63.200 0.117 0.000 1.087 417 S HN 0.711 nan 8.310 nan 0.000 0.474 418 G N 3.010 112.143 108.800 0.556 0.000 2.355 418 G HA2 0.420 4.380 3.960 -0.000 0.000 0.296 418 G HA3 0.420 4.380 3.960 -0.000 0.000 0.296 418 G C -1.453 173.530 174.900 0.138 0.000 1.507 418 G CA -0.669 44.729 45.100 0.497 0.000 0.823 418 G HN 0.922 nan 8.290 nan 0.000 0.569 419 M N 1.906 121.276 119.600 -0.384 0.000 2.336 419 M HA 0.753 5.232 4.480 -0.000 0.000 0.342 419 M C -0.329 175.667 176.300 -0.507 0.000 1.128 419 M CA -0.792 54.076 55.300 -0.720 0.000 1.016 419 M CB 1.743 33.702 32.600 -1.068 0.000 1.665 419 M HN 0.586 nan 8.290 nan 0.000 0.445 420 V N 3.675 123.196 119.914 -0.656 0.000 3.237 420 V HA 0.282 4.402 4.120 -0.000 0.000 0.305 420 V C -0.405 175.474 176.094 -0.359 0.000 1.096 420 V CA 0.307 62.114 62.300 -0.822 0.000 1.130 420 V CB 1.342 32.843 31.823 -0.537 0.000 1.048 420 V HN 1.017 nan 8.190 nan 0.000 0.484 421 E N 3.111 123.155 120.200 -0.261 0.000 2.321 421 E HA 0.241 4.591 4.350 -0.000 0.000 0.281 421 E C -0.898 175.558 176.600 -0.240 0.000 0.910 421 E CA -0.624 55.677 56.400 -0.166 0.000 0.770 421 E CB 1.490 31.119 29.700 -0.117 0.000 1.225 421 E HN 0.838 nan 8.360 nan 0.000 0.417 422 E N 3.071 123.037 120.200 -0.391 0.000 2.465 422 E HA -0.083 4.267 4.350 -0.000 0.000 0.260 422 E C -0.230 176.169 176.600 -0.334 0.000 0.980 422 E CA -0.018 55.935 56.400 -0.745 0.000 0.927 422 E CB 0.479 29.800 29.700 -0.633 0.000 0.934 422 E HN 0.329 nan 8.360 nan 0.000 0.459 423 N N 4.334 122.874 118.700 -0.267 0.000 2.895 423 N HA 0.005 4.745 4.740 -0.000 0.000 0.277 423 N C -1.365 174.109 175.510 -0.060 0.000 1.185 423 N CA -0.070 52.944 53.050 -0.059 0.000 1.106 423 N CB -0.041 38.495 38.487 0.081 0.000 1.422 423 N HN 0.253 nan 8.380 nan 0.000 0.521 424 K N 0.813 121.172 120.400 -0.069 0.000 2.349 424 K HA 0.086 4.406 4.320 -0.000 0.000 0.288 424 K C 0.747 177.339 176.600 -0.014 0.000 1.058 424 K CA -0.323 55.938 56.287 -0.044 0.000 0.953 424 K CB 0.636 33.108 32.500 -0.045 0.000 0.997 424 K HN 0.398 nan 8.250 nan 0.000 0.477 425 T N 0.572 115.125 114.554 -0.002 0.000 2.902 425 T HA 0.290 4.640 4.350 -0.000 0.000 0.280 425 T C 0.148 174.843 174.700 -0.010 0.000 0.992 425 T CA -0.534 61.567 62.100 0.001 0.000 1.015 425 T CB 0.510 69.385 68.868 0.013 0.000 1.044 425 T HN 0.740 nan 8.240 nan 0.000 0.520 426 K N -0.405 119.985 120.400 -0.016 0.000 3.456 426 K HA -0.119 4.201 4.320 -0.000 0.000 0.297 426 K C -0.674 175.908 176.600 -0.029 0.000 1.371 426 K CA 0.918 57.193 56.287 -0.020 0.000 0.916 426 K CB -1.936 30.557 32.500 -0.011 0.000 1.413 426 K HN 0.734 nan 8.250 nan 0.000 0.474 427 I N -1.632 118.915 120.570 -0.039 0.000 2.730 427 I HA 0.431 4.601 4.170 -0.000 0.000 0.298 427 I C 0.241 176.311 176.117 -0.079 0.000 1.089 427 I CA -1.261 60.007 61.300 -0.054 0.000 1.041 427 I CB 0.959 38.927 38.000 -0.053 0.000 1.235 427 I HN -0.109 nan 8.210 nan 0.000 0.423 428 L N 4.048 125.218 121.223 -0.088 0.000 2.483 428 L HA 0.151 4.491 4.340 -0.000 0.000 0.276 428 L C 1.653 178.422 176.870 -0.168 0.000 1.213 428 L CA -0.114 54.657 54.840 -0.114 0.000 0.843 428 L CB 0.498 42.495 42.059 -0.103 0.000 1.107 428 L HN 0.768 nan 8.230 nan 0.000 0.487 429 L N 1.337 122.429 121.223 -0.218 0.000 2.079 429 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 429 L C 2.536 179.218 176.870 -0.314 0.000 1.081 429 L CA 1.337 55.975 54.840 -0.336 0.000 0.752 429 L CB 0.030 41.860 42.059 -0.383 0.000 0.896 429 L HN 0.796 nan 8.230 nan 0.000 0.433 430 S N -0.519 115.032 115.700 -0.248 0.000 2.400 430 S HA -0.291 4.179 4.470 -0.000 0.000 0.234 430 S C 1.760 176.269 174.600 -0.151 0.000 1.049 430 S CA 1.930 60.013 58.200 -0.197 0.000 1.039 430 S CB -0.234 62.883 63.200 -0.139 0.000 0.856 430 S HN 0.527 nan 8.310 nan 0.000 0.465 431 E N 0.257 120.375 120.200 -0.137 0.000 2.038 431 E HA 0.093 4.443 4.350 -0.000 0.000 0.190 431 E C 2.485 179.022 176.600 -0.104 0.000 0.967 431 E CA 0.588 56.928 56.400 -0.100 0.000 0.816 431 E CB -0.272 29.380 29.700 -0.081 0.000 0.784 431 E HN 0.409 nan 8.360 nan 0.000 0.456 432 A N 2.213 124.954 122.820 -0.133 0.000 2.038 432 A HA -0.297 4.023 4.320 -0.000 0.000 0.224 432 A C 2.036 179.564 177.584 -0.094 0.000 1.190 432 A CA 2.448 54.411 52.037 -0.124 0.000 0.668 432 A CB -0.885 17.990 19.000 -0.209 0.000 0.820 432 A HN 0.333 nan 8.150 nan 0.000 0.474 433 R N -1.326 119.102 120.500 -0.121 0.000 2.297 433 R HA 0.141 4.481 4.340 -0.000 0.000 0.197 433 R C 0.485 176.779 176.300 -0.011 0.000 0.943 433 R CA 0.071 56.136 56.100 -0.057 0.000 1.038 433 R CB 0.005 30.255 30.300 -0.083 0.000 0.957 433 R HN 0.300 nan 8.270 nan 0.000 0.484 434 R N 3.078 123.561 120.500 -0.027 0.000 4.071 434 R HA 0.024 4.363 4.340 -0.000 0.000 0.220 434 R C -0.696 175.600 176.300 -0.007 0.000 1.614 434 R CA -0.096 55.998 56.100 -0.010 0.000 1.505 434 R CB 0.272 30.559 30.300 -0.021 0.000 1.384 434 R HN 0.354 nan 8.270 nan 0.000 0.758 435 D N 0.575 120.981 120.400 0.009 0.000 3.085 435 D HA 0.048 4.688 4.640 -0.000 0.000 0.243 435 D C 1.128 177.426 176.300 -0.004 0.000 1.232 435 D CA -0.216 53.787 54.000 0.005 0.000 0.913 435 D CB 0.388 41.203 40.800 0.025 0.000 1.108 435 D HN 0.187 nan 8.370 nan 0.000 0.468 436 A N 1.374 124.184 122.820 -0.017 0.000 1.882 436 A HA -0.371 3.949 4.320 -0.000 0.000 0.220 436 A C 2.049 179.598 177.584 -0.058 0.000 1.253 436 A CA 1.996 54.008 52.037 -0.041 0.000 0.664 436 A CB -0.853 18.124 19.000 -0.038 0.000 0.838 436 A HN 0.481 nan 8.150 nan 0.000 0.460 437 E N -0.989 119.184 120.200 -0.044 0.000 2.147 437 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 437 E C 2.317 178.907 176.600 -0.016 0.000 1.005 437 E CA 1.545 57.922 56.400 -0.038 0.000 0.810 437 E CB -0.140 29.539 29.700 -0.034 0.000 0.736 437 E HN 0.618 nan 8.360 nan 0.000 0.460 438 R N -0.198 120.290 120.500 -0.020 0.000 2.115 438 R HA -0.097 4.243 4.340 -0.000 0.000 0.230 438 R C 2.081 178.383 176.300 0.004 0.000 1.111 438 R CA 1.694 57.799 56.100 0.007 0.000 0.976 438 R CB -0.116 30.205 30.300 0.035 0.000 0.870 438 R HN 0.117 nan 8.270 nan 0.000 0.445 439 T N 0.697 115.187 114.554 -0.108 0.000 2.564 439 T HA -0.198 4.152 4.350 -0.000 0.000 0.259 439 T C 1.203 175.573 174.700 -0.550 0.000 1.087 439 T CA 1.606 63.449 62.100 -0.427 0.000 1.184 439 T CB -0.707 67.914 68.868 -0.412 0.000 0.864 439 T HN 0.389 nan 8.240 nan 0.000 0.403 440 D N -0.190 119.999 120.400 -0.352 0.000 2.600 440 D HA -0.285 4.355 4.640 -0.000 0.000 0.194 440 D C 1.721 177.934 176.300 -0.145 0.000 1.040 440 D CA 2.118 55.985 54.000 -0.223 0.000 0.871 440 D CB -0.487 40.245 40.800 -0.115 0.000 0.973 440 D HN 0.505 nan 8.370 nan 0.000 0.470 441 Y N -0.001 120.200 120.300 -0.165 0.000 2.069 441 Y HA -0.338 4.212 4.550 -0.000 0.000 0.278 441 Y C 2.618 178.501 175.900 -0.028 0.000 1.175 441 Y CA 2.469 60.520 58.100 -0.081 0.000 1.134 441 Y CB -0.337 38.016 38.460 -0.178 0.000 0.965 441 Y HN 0.292 nan 8.280 nan 0.000 0.498 442 H N -0.119 118.939 119.070 -0.020 0.000 2.389 442 H HA -0.128 4.427 4.556 -0.000 0.000 0.299 442 H C 2.136 177.337 175.328 -0.211 0.000 1.081 442 H CA 1.704 57.726 56.048 -0.044 0.000 1.345 442 H CB -0.291 29.487 29.762 0.027 0.000 1.393 442 H HN 0.572 nan 8.280 nan 0.000 0.520 443 Q N 1.117 120.724 119.800 -0.322 0.000 1.927 443 Q HA -0.175 4.165 4.340 -0.000 0.000 0.210 443 Q C 2.352 178.279 176.000 -0.121 0.000 1.001 443 Q CA 1.514 57.178 55.803 -0.233 0.000 0.862 443 Q CB -0.088 28.466 28.738 -0.307 0.000 0.934 443 Q HN 0.302 nan 8.270 nan 0.000 0.420 444 K N -0.353 119.961 120.400 -0.143 0.000 2.097 444 K HA -0.282 4.038 4.320 -0.000 0.000 0.214 444 K C 1.974 178.439 176.600 -0.226 0.000 1.052 444 K CA 2.071 58.259 56.287 -0.165 0.000 0.932 444 K CB -0.272 32.114 32.500 -0.189 0.000 0.716 444 K HN 0.303 nan 8.250 nan 0.000 0.455 445 H N -0.145 118.792 119.070 -0.222 0.000 2.326 445 H HA -0.049 4.507 4.556 -0.000 0.000 0.301 445 H C 1.918 177.203 175.328 -0.072 0.000 1.081 445 H CA 1.448 57.408 56.048 -0.146 0.000 1.334 445 H CB -0.054 29.610 29.762 -0.163 0.000 1.385 445 H HN 0.034 nan 8.280 nan 0.000 0.504 446 L N -0.175 121.004 121.223 -0.075 0.000 2.191 446 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 446 L C 2.547 179.524 176.870 0.178 0.000 1.103 446 L CA 0.897 55.694 54.840 -0.071 0.000 0.769 446 L CB -0.341 41.596 42.059 -0.203 0.000 0.908 446 L HN 0.344 nan 8.230 nan 0.000 0.438 447 A N -1.363 121.497 122.820 0.066 0.000 1.902 447 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 447 A C 2.508 180.091 177.584 -0.002 0.000 1.181 447 A CA 2.112 54.171 52.037 0.036 0.000 0.623 447 A CB -0.598 18.389 19.000 -0.022 0.000 0.818 447 A HN 0.338 nan 8.150 nan 0.000 0.443 448 S N -0.766 114.923 115.700 -0.018 0.000 2.428 448 S HA -0.042 4.427 4.470 -0.000 0.000 0.230 448 S C 1.805 176.481 174.600 0.127 0.000 1.014 448 S CA 1.129 59.334 58.200 0.008 0.000 0.957 448 S CB -0.198 62.986 63.200 -0.026 0.000 0.784 448 S HN 0.352 nan 8.310 nan 0.000 0.499 449 V N 1.699 121.709 119.914 0.160 0.000 2.379 449 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 449 V C 2.421 178.643 176.094 0.213 0.000 1.044 449 V CA 1.435 63.884 62.300 0.249 0.000 1.036 449 V CB -0.620 31.407 31.823 0.340 0.000 0.664 449 V HN 0.379 nan 8.190 nan 0.000 0.453 450 R N 0.623 121.182 120.500 0.098 0.000 2.097 450 R HA -0.249 4.090 4.340 -0.000 0.000 0.236 450 R C 2.053 178.294 176.300 -0.098 0.000 1.135 450 R CA 2.547 58.486 56.100 -0.269 0.000 0.934 450 R CB -0.519 29.464 30.300 -0.529 0.000 0.846 450 R HN 0.493 nan 8.270 nan 0.000 0.431 451 D N 0.108 120.487 120.400 -0.036 0.000 2.158 451 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 451 D C 1.694 178.121 176.300 0.212 0.000 0.995 451 D CA 1.562 55.561 54.000 -0.002 0.000 0.846 451 D CB -0.291 40.409 40.800 -0.166 0.000 0.941 451 D HN 0.448 nan 8.370 nan 0.000 0.456 452 A N 0.280 123.282 122.820 0.304 0.000 1.898 452 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 452 A C 2.323 179.993 177.584 0.143 0.000 1.181 452 A CA 0.821 53.010 52.037 0.253 0.000 0.620 452 A CB -0.682 18.414 19.000 0.159 0.000 0.819 452 A HN 0.179 nan 8.150 nan 0.000 0.442 453 I N 0.076 120.720 120.570 0.123 0.000 2.226 453 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 453 I C 1.664 177.818 176.117 0.061 0.000 1.100 453 I CA 1.567 62.928 61.300 0.101 0.000 1.374 453 I CB -0.301 37.761 38.000 0.104 0.000 1.057 453 I HN 0.219 nan 8.210 nan 0.000 0.413 454 D N 0.557 120.976 120.400 0.031 0.000 2.263 454 D HA -0.146 4.494 4.640 -0.000 0.000 0.208 454 D C 0.828 177.152 176.300 0.040 0.000 0.971 454 D CA 1.105 55.112 54.000 0.012 0.000 0.867 454 D CB -0.300 40.484 40.800 -0.027 0.000 0.929 454 D HN 0.338 nan 8.370 nan 0.000 0.492 455 D N -1.428 119.020 120.400 0.079 0.000 2.525 455 D HA 0.352 4.991 4.640 -0.000 0.000 0.229 455 D C 1.482 177.817 176.300 0.058 0.000 1.202 455 D CA 0.248 54.296 54.000 0.081 0.000 0.828 455 D CB 0.646 41.532 40.800 0.142 0.000 1.008 455 D HN 0.196 nan 8.370 nan 0.000 0.493 456 G N 0.110 108.942 108.800 0.053 0.000 2.493 456 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.206 456 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.206 456 G C 0.371 175.301 174.900 0.052 0.000 1.109 456 G CA -0.160 44.968 45.100 0.047 0.000 0.689 456 G HN 0.494 nan 8.290 nan 0.000 0.516 457 V N 2.250 122.193 119.914 0.047 0.000 2.557 457 V HA 0.487 4.606 4.120 -0.000 0.000 0.301 457 V C 0.648 176.786 176.094 0.073 0.000 1.026 457 V CA 0.924 63.254 62.300 0.050 0.000 1.137 457 V CB 0.963 32.803 31.823 0.028 0.000 0.917 457 V HN 0.548 nan 8.190 nan 0.000 0.484 458 N N 5.783 124.520 118.700 0.062 0.000 3.245 458 N HA 0.218 4.958 4.740 -0.000 0.000 0.296 458 N C -0.502 175.010 175.510 0.004 0.000 1.254 458 N CA -0.232 52.846 53.050 0.046 0.000 1.190 458 N CB -0.186 38.320 38.487 0.031 0.000 1.460 458 N HN 0.658 nan 8.380 nan 0.000 0.538 459 V N 1.625 121.588 119.914 0.081 0.000 2.715 459 V HA 0.174 4.294 4.120 -0.000 0.000 0.299 459 V C 1.191 177.258 176.094 -0.044 0.000 1.054 459 V CA -0.012 62.331 62.300 0.072 0.000 1.077 459 V CB 1.363 33.376 31.823 0.317 0.000 0.972 459 V HN 0.366 nan 8.190 nan 0.000 0.484 460 K N 1.973 122.046 120.400 -0.544 0.000 2.520 460 K HA 0.340 4.660 4.320 -0.000 0.000 0.206 460 K C 0.348 176.102 176.600 -1.411 0.000 1.122 460 K CA 0.381 56.150 56.287 -0.864 0.000 1.045 460 K CB 1.771 33.777 32.500 -0.824 0.000 0.932 460 K HN 0.922 nan 8.250 nan 0.000 0.571 461 G N 0.918 108.913 108.800 -1.342 0.000 2.715 461 G HA2 0.272 4.232 3.960 -0.000 0.000 0.297 461 G HA3 0.272 4.232 3.960 -0.000 0.000 0.297 461 G C -2.300 172.655 174.900 0.091 0.000 1.386 461 G CA -0.466 44.249 45.100 -0.641 0.000 1.157 461 G HN -0.009 nan 8.290 nan 0.000 0.585 462 Y N 2.015 122.346 120.300 0.053 0.000 2.330 462 Y HA 0.769 5.319 4.550 -0.000 0.000 0.336 462 Y C -1.242 174.701 175.900 0.070 0.000 1.036 462 Y CA -1.667 56.572 58.100 0.231 0.000 1.125 462 Y CB 1.362 39.974 38.460 0.253 0.000 1.194 462 Y HN 0.354 nan 8.280 nan 0.000 0.469 463 F N 5.153 124.929 119.950 -0.290 0.000 2.577 463 F HA 0.357 4.884 4.527 -0.000 0.000 0.344 463 F C -0.541 175.180 175.800 -0.132 0.000 1.145 463 F CA -1.033 56.920 58.000 -0.077 0.000 0.996 463 F CB 1.229 40.236 39.000 0.012 0.000 1.248 463 F HN 0.128 nan 8.300 nan 0.000 0.447 464 V N 4.320 124.292 119.914 0.097 0.000 2.557 464 V HA -0.161 3.959 4.120 -0.000 0.000 0.301 464 V C -0.135 176.207 176.094 0.413 0.000 1.026 464 V CA 0.059 62.463 62.300 0.173 0.000 1.137 464 V CB 0.261 32.099 31.823 0.025 0.000 0.917 464 V HN 0.701 nan 8.190 nan 0.000 0.484 465 W N 6.289 127.787 121.300 0.331 0.000 2.391 465 W HA 0.569 5.229 4.660 -0.000 0.000 0.311 465 W C -0.044 176.744 176.519 0.448 0.000 1.087 465 W CA -0.659 56.907 57.345 0.367 0.000 1.209 465 W CB 1.816 31.503 29.460 0.380 0.000 1.273 465 W HN 0.674 nan 8.180 nan 0.000 0.482 466 S N 4.499 120.062 115.700 -0.229 0.000 2.536 466 S HA 0.335 4.805 4.470 -0.000 0.000 0.298 466 S C 0.357 174.853 174.600 -0.173 0.000 1.083 466 S CA -0.741 57.012 58.200 -0.745 0.000 0.995 466 S CB 1.906 64.150 63.200 -1.593 0.000 1.058 466 S HN 0.513 nan 8.310 nan 0.000 0.488 467 F N 1.770 121.613 119.950 -0.177 0.000 2.043 467 F HA 0.082 4.609 4.527 -0.000 0.000 0.297 467 F C 0.019 175.667 175.800 -0.253 0.000 1.118 467 F CA 1.362 59.248 58.000 -0.191 0.000 1.202 467 F CB -0.171 38.638 39.000 -0.318 0.000 0.965 467 F HN 0.551 nan 8.300 nan 0.000 0.482 468 F N 0.701 120.687 119.950 0.059 0.000 2.470 468 F HA 0.290 4.816 4.527 -0.000 0.000 0.329 468 F C 0.151 175.928 175.800 -0.038 0.000 1.072 468 F CA -1.444 56.544 58.000 -0.020 0.000 0.989 468 F CB 0.216 39.288 39.000 0.120 0.000 1.193 468 F HN -0.275 nan 8.300 nan 0.000 0.481 469 D N 1.411 121.926 120.400 0.191 0.000 2.424 469 D HA 0.198 4.837 4.640 -0.000 0.000 0.244 469 D C -0.208 176.286 176.300 0.323 0.000 1.134 469 D CA 0.326 54.439 54.000 0.188 0.000 0.881 469 D CB 0.252 41.064 40.800 0.021 0.000 1.191 469 D HN 0.706 nan 8.370 nan 0.000 0.445 470 N N -0.407 118.495 118.700 0.336 0.000 3.418 470 N HA 0.321 5.060 4.740 -0.000 0.000 0.316 470 N C -1.071 174.506 175.510 0.112 0.000 1.601 470 N CA -0.968 52.256 53.050 0.289 0.000 0.805 470 N CB 0.638 39.192 38.487 0.112 0.000 1.873 470 N HN 0.240 nan 8.380 nan 0.000 0.615 471 F N 1.443 121.240 119.950 -0.255 0.000 2.466 471 F HA 0.199 4.726 4.527 -0.000 0.000 0.363 471 F C 0.503 175.883 175.800 -0.699 0.000 1.109 471 F CA -0.265 57.293 58.000 -0.738 0.000 1.161 471 F CB 0.588 39.120 39.000 -0.778 0.000 1.117 471 F HN 0.442 nan 8.300 nan 0.000 0.539 472 E N 7.680 127.345 120.200 -0.891 0.000 2.515 472 E HA 0.079 4.428 4.350 -0.000 0.000 0.315 472 E C -0.157 176.049 176.600 -0.657 0.000 1.523 472 E CA -0.092 55.958 56.400 -0.584 0.000 1.704 472 E CB -0.666 28.955 29.700 -0.131 0.000 1.395 472 E HN 0.794 nan 8.360 nan 0.000 0.490 473 W N 0.432 121.125 121.300 -1.012 0.000 1.933 473 W HA -0.480 4.179 4.660 -0.000 0.000 0.279 473 W C 1.786 178.046 176.519 -0.432 0.000 1.131 473 W CA 1.620 58.473 57.345 -0.819 0.000 1.071 473 W CB -1.624 27.460 29.460 -0.627 0.000 0.881 473 W HN 0.547 nan 8.180 nan 0.000 0.547 474 N N 0.026 118.988 118.700 0.437 0.000 2.519 474 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 474 N C 0.982 176.620 175.510 0.214 0.000 1.062 474 N CA 1.374 54.725 53.050 0.502 0.000 0.910 474 N CB -0.265 38.652 38.487 0.717 0.000 0.958 474 N HN 0.163 nan 8.380 nan 0.000 0.445 475 L N 0.319 121.579 121.223 0.062 0.000 2.592 475 L HA 0.312 4.652 4.340 -0.000 0.000 0.227 475 L C 1.821 178.589 176.870 -0.169 0.000 1.127 475 L CA 0.719 55.563 54.840 0.007 0.000 0.884 475 L CB -1.375 40.727 42.059 0.073 0.000 1.065 475 L HN 0.426 nan 8.230 nan 0.000 0.457 476 G N 0.929 109.449 108.800 -0.467 0.000 2.690 476 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.334 476 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.334 476 G C 0.602 174.971 174.900 -0.886 0.000 1.250 476 G CA 1.035 45.681 45.100 -0.756 0.000 0.994 476 G HN 0.379 nan 8.290 nan 0.000 0.549 477 Y N 0.866 121.036 120.300 -0.218 0.000 2.660 477 Y HA 0.406 4.956 4.550 -0.000 0.000 0.254 477 Y C 2.220 178.066 175.900 -0.089 0.000 1.176 477 Y CA 0.233 58.129 58.100 -0.340 0.000 1.195 477 Y CB 0.064 38.137 38.460 -0.645 0.000 1.190 477 Y HN 0.521 nan 8.280 nan 0.000 0.535 478 I N -1.578 119.037 120.570 0.076 0.000 3.334 478 I HA 0.056 4.225 4.170 -0.000 0.000 0.282 478 I C 0.854 176.998 176.117 0.045 0.000 1.313 478 I CA -0.885 60.474 61.300 0.098 0.000 1.396 478 I CB -1.243 36.835 38.000 0.130 0.000 1.054 478 I HN 0.175 nan 8.210 nan 0.000 0.495 479 C N -0.196 119.157 119.300 0.088 0.000 3.213 479 C HA 0.857 5.317 4.460 -0.000 0.000 0.319 479 C C -0.394 174.703 174.990 0.178 0.000 1.386 479 C CA -1.090 57.960 59.018 0.052 0.000 1.494 479 C CB 1.752 29.561 27.740 0.116 0.000 1.905 479 C HN 0.409 nan 8.230 nan 0.000 0.456 480 R N -0.474 120.095 120.500 0.114 0.000 2.725 480 R HA 0.479 4.818 4.340 -0.000 0.000 0.277 480 R C -1.499 174.854 176.300 0.088 0.000 0.987 480 R CA -0.451 55.758 56.100 0.181 0.000 0.901 480 R CB 1.731 32.091 30.300 0.100 0.000 1.207 480 R HN 0.879 nan 8.270 nan 0.000 0.463 481 Y N -0.662 119.699 120.300 0.102 0.000 2.499 481 Y HA 0.288 4.837 4.550 -0.000 0.000 0.253 481 Y C 0.970 176.909 175.900 0.064 0.000 1.105 481 Y CA -0.160 58.005 58.100 0.108 0.000 1.240 481 Y CB 1.837 40.404 38.460 0.177 0.000 1.289 481 Y HN 0.785 nan 8.280 nan 0.000 0.534 482 G N 0.393 109.286 108.800 0.154 0.000 2.488 482 G HA2 0.404 4.364 3.960 -0.000 0.000 0.318 482 G HA3 0.404 4.364 3.960 -0.000 0.000 0.318 482 G C 0.759 175.691 174.900 0.052 0.000 1.188 482 G CA -0.459 44.681 45.100 0.066 0.000 0.944 482 G HN 0.283 nan 8.290 nan 0.000 0.495 483 I N -2.058 118.488 120.570 -0.039 0.000 3.860 483 I HA 0.420 4.590 4.170 -0.000 0.000 0.319 483 I C -0.429 175.601 176.117 -0.145 0.000 1.279 483 I CA 0.036 61.312 61.300 -0.040 0.000 1.220 483 I CB 0.121 38.123 38.000 0.003 0.000 1.027 483 I HN -0.024 nan 8.210 nan 0.000 0.428 484 I N 2.855 123.293 120.570 -0.221 0.000 2.410 484 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 484 I C -0.019 176.148 176.117 0.083 0.000 1.009 484 I CA -0.415 60.824 61.300 -0.102 0.000 1.111 484 I CB 0.795 38.658 38.000 -0.228 0.000 1.262 484 I HN 0.154 nan 8.210 nan 0.000 0.443 485 H N 6.495 125.587 119.070 0.038 0.000 2.790 485 H HA 0.380 4.935 4.556 -0.000 0.000 0.358 485 H C -1.392 173.930 175.328 -0.009 0.000 1.103 485 H CA 0.254 56.304 56.048 0.003 0.000 1.426 485 H CB 1.410 31.167 29.762 -0.008 0.000 1.424 485 H HN 0.303 nan 8.280 nan 0.000 0.599 486 V N 5.612 125.106 119.914 -0.699 0.000 2.569 486 V HA 0.003 4.123 4.120 -0.000 0.000 0.301 486 V C 0.053 175.668 176.094 -0.797 0.000 1.044 486 V CA -1.081 60.934 62.300 -0.475 0.000 0.874 486 V CB 1.682 33.349 31.823 -0.260 0.000 1.002 486 V HN 0.786 nan 8.190 nan 0.000 0.424 487 D N 3.300 123.484 120.400 -0.360 0.000 2.349 487 D HA 0.053 4.693 4.640 -0.000 0.000 0.266 487 D C 0.844 176.943 176.300 -0.337 0.000 1.293 487 D CA 0.324 54.154 54.000 -0.282 0.000 0.926 487 D CB 0.531 41.268 40.800 -0.105 0.000 1.090 487 D HN 0.625 nan 8.370 nan 0.000 0.502 488 Y N 2.554 122.703 120.300 -0.252 0.000 2.384 488 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 488 Y C 2.411 178.001 175.900 -0.516 0.000 1.152 488 Y CA 0.453 58.328 58.100 -0.375 0.000 1.258 488 Y CB 0.362 38.564 38.460 -0.430 0.000 0.979 488 Y HN 0.297 nan 8.280 nan 0.000 0.549 489 K N -0.247 119.959 120.400 -0.324 0.000 2.056 489 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 489 K C 2.293 178.438 176.600 -0.759 0.000 1.035 489 K CA 1.308 57.318 56.287 -0.462 0.000 0.955 489 K CB -0.517 31.830 32.500 -0.256 0.000 0.769 489 K HN 0.243 nan 8.250 nan 0.000 0.447 490 S N 0.204 115.620 115.700 -0.473 0.000 2.481 490 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 490 S C 0.891 175.303 174.600 -0.314 0.000 0.996 490 S CA 0.546 58.528 58.200 -0.364 0.000 0.942 490 S CB -0.644 62.468 63.200 -0.146 0.000 0.768 490 S HN 0.400 nan 8.310 nan 0.000 0.520 491 F N -0.090 119.822 119.950 -0.063 0.000 2.748 491 F HA -0.194 4.332 4.527 -0.000 0.000 0.370 491 F C 0.586 176.337 175.800 -0.081 0.000 0.620 491 F CA 0.686 58.639 58.000 -0.079 0.000 1.233 491 F CB -2.235 36.724 39.000 -0.068 0.000 1.708 491 F HN 0.262 nan 8.300 nan 0.000 0.298 492 E N 1.135 121.366 120.200 0.052 0.000 2.422 492 E HA 0.337 4.686 4.350 -0.000 0.000 0.260 492 E C 0.277 176.916 176.600 0.065 0.000 1.108 492 E CA -0.009 56.425 56.400 0.057 0.000 0.943 492 E CB 0.537 30.266 29.700 0.047 0.000 0.961 492 E HN 0.170 nan 8.360 nan 0.000 0.443 493 R N 2.155 122.712 120.500 0.094 0.000 2.468 493 R HA 0.231 4.570 4.340 -0.000 0.000 0.302 493 R C -1.702 174.704 176.300 0.175 0.000 1.041 493 R CA -0.365 55.806 56.100 0.119 0.000 0.899 493 R CB 0.778 31.125 30.300 0.079 0.000 1.167 493 R HN 0.474 nan 8.270 nan 0.000 0.483 494 Y N 4.697 125.059 120.300 0.103 0.000 2.376 494 Y HA 0.481 5.031 4.550 -0.000 0.000 0.340 494 Y C -2.191 173.748 175.900 0.066 0.000 0.965 494 Y CA -2.419 55.720 58.100 0.065 0.000 1.078 494 Y CB 1.960 40.433 38.460 0.021 0.000 1.193 494 Y HN 0.420 nan 8.280 nan 0.000 0.452 495 P HA 0.060 nan 4.420 nan 0.000 0.271 495 P C -1.250 176.169 177.300 0.198 0.000 1.220 495 P CA 0.004 63.149 63.100 0.075 0.000 0.768 495 P CB 1.092 32.764 31.700 -0.047 0.000 0.848 496 K N 2.469 122.950 120.400 0.136 0.000 2.219 496 K HA 0.047 4.367 4.320 -0.000 0.000 0.258 496 K C 1.579 178.256 176.600 0.127 0.000 1.008 496 K CA -0.524 55.839 56.287 0.126 0.000 0.928 496 K CB 0.455 33.017 32.500 0.103 0.000 0.983 496 K HN 0.373 nan 8.250 nan 0.000 0.484 497 E N 1.216 121.486 120.200 0.117 0.000 2.065 497 E HA -0.241 4.109 4.350 -0.000 0.000 0.201 497 E C 2.034 178.751 176.600 0.194 0.000 1.016 497 E CA 2.210 58.689 56.400 0.132 0.000 0.818 497 E CB -0.544 29.213 29.700 0.096 0.000 0.749 497 E HN 0.745 nan 8.360 nan 0.000 0.453 498 S N 1.143 116.959 115.700 0.193 0.000 2.378 498 S HA -0.268 4.201 4.470 -0.000 0.000 0.229 498 S C 2.247 177.071 174.600 0.374 0.000 1.052 498 S CA 1.948 60.328 58.200 0.300 0.000 1.084 498 S CB -0.716 62.632 63.200 0.247 0.000 0.950 498 S HN 0.358 nan 8.310 nan 0.000 0.440 499 A N 2.184 125.135 122.820 0.218 0.000 1.908 499 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 499 A C 2.294 179.973 177.584 0.158 0.000 1.181 499 A CA 1.650 53.785 52.037 0.164 0.000 0.627 499 A CB -0.789 18.216 19.000 0.009 0.000 0.818 499 A HN 0.540 nan 8.150 nan 0.000 0.445 500 I N -1.901 118.760 120.570 0.151 0.000 2.179 500 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 500 I C 2.361 178.566 176.117 0.147 0.000 1.088 500 I CA 1.500 62.871 61.300 0.118 0.000 1.357 500 I CB -1.444 36.628 38.000 0.120 0.000 1.051 500 I HN 0.791 nan 8.210 nan 0.000 0.409 501 W N 1.884 123.234 121.300 0.084 0.000 2.315 501 W HA -0.331 4.329 4.660 -0.001 0.000 0.323 501 W C 2.732 179.347 176.519 0.160 0.000 1.233 501 W CA 1.791 59.190 57.345 0.090 0.000 1.267 501 W CB -1.240 28.259 29.460 0.065 0.000 1.160 501 W HN 0.147 nan 8.180 nan 0.000 0.474 502 Y N 1.967 122.020 120.300 -0.413 0.000 2.207 502 Y HA -0.238 4.312 4.550 -0.000 0.000 0.287 502 Y C 2.636 178.292 175.900 -0.408 0.000 1.156 502 Y CA 2.358 60.009 58.100 -0.749 0.000 1.182 502 Y CB -1.066 37.223 38.460 -0.284 0.000 0.979 502 Y HN 0.116 nan 8.280 nan 0.000 0.521 503 K N 0.182 120.484 120.400 -0.165 0.000 2.044 503 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 503 K C 1.759 178.236 176.600 -0.205 0.000 1.049 503 K CA 2.036 58.212 56.287 -0.185 0.000 0.927 503 K CB -0.246 32.202 32.500 -0.088 0.000 0.713 503 K HN 0.410 nan 8.250 nan 0.000 0.443 504 N N -0.352 118.241 118.700 -0.178 0.000 2.106 504 N HA -0.133 4.606 4.740 -0.000 0.000 0.188 504 N C 1.575 176.949 175.510 -0.228 0.000 1.029 504 N CA 1.350 54.306 53.050 -0.156 0.000 0.848 504 N CB -0.229 38.208 38.487 -0.082 0.000 1.007 504 N HN 0.151 nan 8.380 nan 0.000 0.423 505 F N 1.520 121.157 119.950 -0.520 0.000 2.102 505 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 505 F C 1.742 177.208 175.800 -0.557 0.000 1.105 505 F CA 1.164 58.819 58.000 -0.574 0.000 1.239 505 F CB -0.242 38.204 39.000 -0.923 0.000 0.991 505 F HN -0.017 nan 8.300 nan 0.000 0.474 506 I N 0.455 120.721 120.570 -0.507 0.000 2.623 506 I HA -0.257 3.913 4.170 -0.000 0.000 0.261 506 I C 1.549 177.382 176.117 -0.474 0.000 1.204 506 I CA 1.080 62.014 61.300 -0.609 0.000 1.444 506 I CB -0.679 37.027 38.000 -0.490 0.000 1.094 506 I HN 0.275 nan 8.210 nan 0.000 0.451 507 A N 0.855 123.447 122.820 -0.380 0.000 3.159 507 A HA 0.552 4.872 4.320 -0.000 0.000 0.301 507 A C 0.794 178.254 177.584 -0.206 0.000 1.271 507 A CA -0.180 51.710 52.037 -0.245 0.000 0.998 507 A CB -0.858 18.034 19.000 -0.181 0.000 1.101 507 A HN 0.288 nan 8.150 nan 0.000 0.610 508 G N 0.000 108.649 108.800 -0.251 0.000 5.446 508 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 508 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 508 G CA 0.000 44.998 45.100 -0.169 0.000 0.502 508 G HN 0.000 nan 8.290 nan 0.000 0.925