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 3ofl_1_G DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAG 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.631 177.584 0.079 0.000 1.274 20 A CA 0.000 52.060 52.037 0.038 0.000 0.836 20 A CB 0.000 19.027 19.000 0.045 0.000 0.831 21 V N 1.946 121.859 119.914 -0.001 0.000 2.775 21 V HA 0.519 4.639 4.120 0.000 0.000 0.299 21 V C 0.348 176.384 176.094 -0.096 0.000 1.062 21 V CA -0.149 62.149 62.300 -0.004 0.000 1.063 21 V CB 1.414 33.114 31.823 -0.205 0.000 0.994 21 V HN 0.817 nan 8.190 nan 0.000 0.483 22 V N 2.611 122.570 119.914 0.074 0.000 2.914 22 V HA 0.393 4.513 4.120 0.000 0.000 0.314 22 V C 0.061 176.195 176.094 0.067 0.000 1.084 22 V CA -1.110 61.174 62.300 -0.028 0.000 0.963 22 V CB 2.032 33.847 31.823 -0.013 0.000 1.025 22 V HN 0.846 nan 8.190 nan 0.000 0.432 23 N N 2.191 120.937 118.700 0.077 0.000 2.438 23 N HA -0.022 4.718 4.740 0.000 0.000 0.267 23 N C 1.581 177.118 175.510 0.044 0.000 1.222 23 N CA 0.850 54.005 53.050 0.175 0.000 0.930 23 N CB 1.621 40.217 38.487 0.182 0.000 1.083 23 N HN 1.042 nan 8.380 nan 0.000 0.476 24 T N 0.559 115.105 114.554 -0.013 0.000 2.755 24 T HA -0.233 4.117 4.350 0.000 0.000 0.266 24 T C 0.873 175.313 174.700 -0.433 0.000 1.041 24 T CA 1.431 63.270 62.100 -0.435 0.000 1.147 24 T CB -0.092 68.667 68.868 -0.182 0.000 0.847 24 T HN 0.450 nan 8.240 nan 0.000 0.478 25 D N 1.368 121.672 120.400 -0.161 0.000 2.403 25 D HA -0.029 4.611 4.640 0.000 0.000 0.227 25 D C 1.143 177.400 176.300 -0.072 0.000 0.995 25 D CA 0.764 54.704 54.000 -0.100 0.000 0.928 25 D CB -0.227 40.557 40.800 -0.027 0.000 0.887 25 D HN 0.527 nan 8.370 nan 0.000 0.529 26 D N -1.090 119.266 120.400 -0.073 0.000 2.366 26 D HA -0.020 4.620 4.640 0.000 0.000 0.205 26 D C 1.090 177.449 176.300 0.098 0.000 1.022 26 D CA 0.333 54.350 54.000 0.028 0.000 0.868 26 D CB 0.237 41.082 40.800 0.075 0.000 0.953 26 D HN 0.472 nan 8.370 nan 0.000 0.514 27 Y N -2.247 118.061 120.300 0.013 0.000 2.672 27 Y HA 0.499 5.050 4.550 0.000 0.000 0.252 27 Y C -0.383 175.561 175.900 0.072 0.000 1.132 27 Y CA -0.536 57.579 58.100 0.025 0.000 1.228 27 Y CB 0.313 38.768 38.460 -0.008 0.000 1.310 27 Y HN -0.324 nan 8.280 nan 0.000 0.549 28 V N 2.264 122.113 119.914 -0.109 0.000 2.327 28 V HA 0.263 4.383 4.120 0.000 0.000 0.272 28 V C -0.179 175.876 176.094 -0.065 0.000 1.019 28 V CA -0.604 61.651 62.300 -0.074 0.000 0.814 28 V CB 0.925 32.629 31.823 -0.198 0.000 1.040 28 V HN 0.368 nan 8.190 nan 0.000 0.440 29 T N 5.115 119.655 114.554 -0.022 0.000 2.834 29 T HA 0.366 4.716 4.350 0.000 0.000 0.298 29 T C 0.328 174.999 174.700 -0.047 0.000 0.966 29 T CA -0.187 61.898 62.100 -0.024 0.000 1.141 29 T CB 0.450 69.316 68.868 -0.005 0.000 0.905 29 T HN 0.495 nan 8.240 nan 0.000 0.535 30 R N 1.759 122.233 120.500 -0.042 0.000 2.457 30 R HA 0.508 4.848 4.340 0.000 0.000 0.284 30 R C 1.219 177.485 176.300 -0.056 0.000 1.024 30 R CA -0.674 55.392 56.100 -0.057 0.000 1.025 30 R CB 0.887 31.167 30.300 -0.034 0.000 1.063 30 R HN 0.801 nan 8.270 nan 0.000 0.493 31 T N -2.122 112.374 114.554 -0.098 0.000 2.920 31 T HA 0.179 4.529 4.350 0.000 0.000 0.292 31 T C 0.940 175.561 174.700 -0.131 0.000 1.093 31 T CA -0.388 61.659 62.100 -0.088 0.000 0.944 31 T CB 0.906 69.721 68.868 -0.089 0.000 1.605 31 T HN 0.531 nan 8.240 nan 0.000 0.590 32 S N -0.840 114.801 115.700 -0.098 0.000 2.730 32 S HA 0.330 4.800 4.470 0.000 0.000 0.244 32 S C 0.018 174.572 174.600 -0.077 0.000 1.022 32 S CA -0.688 57.489 58.200 -0.039 0.000 1.014 32 S CB -0.190 63.073 63.200 0.106 0.000 0.963 32 S HN 0.550 nan 8.310 nan 0.000 0.540 33 I N 2.962 123.424 120.570 -0.181 0.000 2.312 33 I HA 0.477 4.647 4.170 0.000 0.000 0.291 33 I C -0.729 175.341 176.117 -0.078 0.000 1.031 33 I CA -1.312 59.994 61.300 0.011 0.000 1.293 33 I CB -0.721 37.377 38.000 0.163 0.000 1.403 33 I HN 0.152 nan 8.210 nan 0.000 0.484 34 F N 6.190 126.299 119.950 0.265 0.000 2.508 34 F HA 0.565 5.092 4.527 0.000 0.000 0.325 34 F C -0.230 175.709 175.800 0.232 0.000 1.090 34 F CA -0.639 57.514 58.000 0.255 0.000 0.945 34 F CB 1.629 40.690 39.000 0.103 0.000 1.156 34 F HN 0.217 nan 8.300 nan 0.000 0.463 35 Y N 0.622 121.058 120.300 0.226 0.000 2.602 35 Y HA 0.420 4.970 4.550 0.000 0.000 0.342 35 Y C -0.423 175.409 175.900 -0.113 0.000 1.029 35 Y CA -1.072 57.084 58.100 0.093 0.000 1.080 35 Y CB 1.624 40.152 38.460 0.113 0.000 1.284 35 Y HN 0.494 nan 8.280 nan 0.000 0.485 36 H N 1.156 120.136 119.070 -0.150 0.000 2.538 36 H HA 0.858 5.414 4.556 0.000 0.000 0.353 36 H C -1.852 173.151 175.328 -0.540 0.000 1.109 36 H CA -0.749 55.078 56.048 -0.368 0.000 1.192 36 H CB 1.614 31.139 29.762 -0.395 0.000 1.555 36 H HN 0.820 nan 8.280 nan 0.000 0.518 37 A N 3.013 125.288 122.820 -0.908 0.000 2.486 37 A HA 0.696 5.016 4.320 0.000 0.000 0.300 37 A C -0.809 176.466 177.584 -0.514 0.000 1.048 37 A CA -0.130 51.541 52.037 -0.611 0.000 0.696 37 A CB 1.790 20.305 19.000 -0.808 0.000 1.278 37 A HN 0.865 nan 8.150 nan 0.000 0.405 38 G N 0.448 109.126 108.800 -0.203 0.000 2.719 38 G HA2 0.620 4.580 3.960 0.000 0.000 0.298 38 G HA3 0.620 4.580 3.960 0.000 0.000 0.298 38 G C -0.182 174.702 174.900 -0.028 0.000 1.411 38 G CA 0.227 45.257 45.100 -0.118 0.000 0.991 38 G HN 1.564 nan 8.290 nan 0.000 0.509 39 S N 0.495 116.163 115.700 -0.053 0.000 2.608 39 S HA 0.525 4.995 4.470 0.000 0.000 0.261 39 S C 1.579 176.163 174.600 -0.027 0.000 1.314 39 S CA 0.487 58.659 58.200 -0.047 0.000 0.992 39 S CB 1.239 64.358 63.200 -0.136 0.000 0.935 39 S HN 1.439 nan 8.310 nan 0.000 0.564 40 S N 1.227 116.927 115.700 0.000 0.000 2.213 40 S HA 0.097 4.568 4.470 0.000 0.000 0.164 40 S C 0.614 175.212 174.600 -0.004 0.000 1.370 40 S CA -0.054 58.159 58.200 0.021 0.000 2.315 40 S CB -0.467 62.759 63.200 0.044 0.000 0.448 40 S HN 0.953 nan 8.310 nan 0.000 0.350 41 R N 0.469 120.976 120.500 0.012 0.000 2.545 41 R HA 0.439 4.779 4.340 0.000 0.000 0.289 41 R C -1.539 174.789 176.300 0.047 0.000 1.327 41 R CA -0.427 55.676 56.100 0.006 0.000 1.040 41 R CB 0.287 30.597 30.300 0.016 0.000 1.176 41 R HN 0.540 nan 8.270 nan 0.000 0.518 42 L N 4.940 126.172 121.223 0.014 0.000 2.410 42 L HA 0.298 4.638 4.340 0.000 0.000 0.273 42 L C -0.305 176.708 176.870 0.238 0.000 1.152 42 L CA -0.164 54.744 54.840 0.114 0.000 0.855 42 L CB 0.603 42.524 42.059 -0.229 0.000 1.129 42 L HN 0.485 nan 8.230 nan 0.000 0.463 43 L N 3.064 124.515 121.223 0.380 0.000 2.469 43 L HA 0.801 5.141 4.340 0.000 0.000 0.256 43 L C -0.685 176.374 176.870 0.315 0.000 1.006 43 L CA 0.053 55.069 54.840 0.294 0.000 0.832 43 L CB 2.676 44.825 42.059 0.150 0.000 1.421 43 L HN 0.591 nan 8.230 nan 0.000 0.410 44 T N 2.059 116.736 114.554 0.206 0.000 3.289 44 T HA 0.617 4.967 4.350 0.000 0.000 0.370 44 T C -1.791 172.924 174.700 0.025 0.000 1.546 44 T CA 0.105 62.263 62.100 0.097 0.000 1.144 44 T CB 0.693 69.605 68.868 0.073 0.000 1.379 44 T HN 1.248 nan 8.240 nan 0.000 0.478 45 V N 1.490 121.397 119.914 -0.012 0.000 3.001 45 V HA 1.131 5.252 4.120 0.000 0.000 0.314 45 V C 0.275 176.349 176.094 -0.034 0.000 1.099 45 V CA 0.154 62.434 62.300 -0.034 0.000 0.989 45 V CB 1.339 33.146 31.823 -0.027 0.000 1.040 45 V HN 1.566 nan 8.190 nan 0.000 0.434 46 G N 0.711 109.491 108.800 -0.033 0.000 2.321 46 G HA2 0.298 4.259 3.960 0.000 0.000 0.296 46 G HA3 0.298 4.259 3.960 0.000 0.000 0.296 46 G C -1.962 172.904 174.900 -0.056 0.000 1.287 46 G CA -0.283 44.795 45.100 -0.036 0.000 0.846 46 G HN 0.959 nan 8.290 nan 0.000 0.508 47 D N 0.491 120.831 120.400 -0.100 0.000 2.350 47 D HA 0.326 4.966 4.640 0.000 0.000 0.249 47 D C -1.304 174.843 176.300 -0.254 0.000 1.119 47 D CA -1.533 52.330 54.000 -0.229 0.000 0.886 47 D CB 2.296 42.897 40.800 -0.332 0.000 1.195 47 D HN 0.063 nan 8.370 nan 0.000 0.437 48 P HA -0.009 nan 4.420 nan 0.000 0.249 48 P C 0.429 177.591 177.300 -0.232 0.000 1.229 48 P CA 0.605 63.496 63.100 -0.347 0.000 0.788 48 P CB 0.107 31.504 31.700 -0.505 0.000 1.072 49 Y N -0.359 119.798 120.300 -0.238 0.000 2.589 49 Y HA 0.267 4.818 4.550 0.000 0.000 0.271 49 Y C 0.842 176.710 175.900 -0.054 0.000 1.107 49 Y CA -0.748 57.246 58.100 -0.177 0.000 1.273 49 Y CB 0.485 38.808 38.460 -0.229 0.000 1.266 49 Y HN -0.185 nan 8.280 nan 0.000 0.504 50 F N -0.684 119.371 119.950 0.175 0.000 2.725 50 F HA 0.453 4.980 4.527 0.000 0.000 0.309 50 F C -1.032 174.812 175.800 0.074 0.000 1.132 50 F CA -2.231 55.835 58.000 0.109 0.000 0.957 50 F CB 0.606 39.663 39.000 0.095 0.000 1.286 50 F HN -0.166 nan 8.300 nan 0.000 0.440 51 R N 1.090 121.773 120.500 0.305 0.000 2.491 51 R HA 0.667 5.008 4.340 0.000 0.000 0.283 51 R C -1.435 175.042 176.300 0.295 0.000 1.072 51 R CA -0.667 55.553 56.100 0.199 0.000 1.048 51 R CB 1.049 31.420 30.300 0.119 0.000 0.983 51 R HN 0.539 nan 8.270 nan 0.000 0.450 52 V N 5.244 125.287 119.914 0.214 0.000 2.368 52 V HA 0.216 4.336 4.120 0.000 0.000 0.266 52 V C -1.913 174.258 176.094 0.127 0.000 1.045 52 V CA -2.151 60.282 62.300 0.220 0.000 0.899 52 V CB 0.911 32.853 31.823 0.197 0.000 1.006 52 V HN 0.807 nan 8.190 nan 0.000 0.470 53 P HA 0.044 nan 4.420 nan 0.000 0.258 53 P C 0.266 177.600 177.300 0.055 0.000 1.172 53 P CA 0.417 63.556 63.100 0.064 0.000 0.762 53 P CB 0.310 32.039 31.700 0.047 0.000 0.764 54 A N 4.470 127.314 122.820 0.041 0.000 2.615 54 A HA 0.313 4.633 4.320 0.000 0.000 0.230 54 A C 1.836 179.437 177.584 0.029 0.000 1.062 54 A CA 0.729 52.785 52.037 0.031 0.000 0.758 54 A CB -1.093 17.919 19.000 0.019 0.000 0.995 54 A HN 0.896 nan 8.150 nan 0.000 0.511 55 G N 0.849 109.664 108.800 0.026 0.000 2.216 55 G HA2 -0.227 3.733 3.960 0.000 0.000 0.269 55 G HA3 -0.227 3.733 3.960 0.000 0.000 0.269 55 G C 1.426 176.343 174.900 0.028 0.000 0.981 55 G CA 1.454 46.567 45.100 0.023 0.000 0.658 55 G HN 2.036 nan 8.290 nan 0.000 0.539 56 G N -0.393 108.430 108.800 0.038 0.000 2.448 56 G HA2 0.282 4.242 3.960 0.000 0.000 0.219 56 G HA3 0.282 4.242 3.960 0.000 0.000 0.219 56 G C 1.383 176.309 174.900 0.045 0.000 1.127 56 G CA 1.861 46.985 45.100 0.040 0.000 0.766 56 G HN 1.577 nan 8.290 nan 0.000 0.552 57 G N -0.615 108.216 108.800 0.051 0.000 2.408 57 G HA2 0.207 4.168 3.960 0.000 0.000 0.190 57 G HA3 0.207 4.168 3.960 0.000 0.000 0.190 57 G C 0.086 175.006 174.900 0.034 0.000 1.377 57 G CA 0.428 45.560 45.100 0.054 0.000 0.690 57 G HN 0.586 nan 8.290 nan 0.000 1.014 58 N N 0.233 118.951 118.700 0.029 0.000 2.367 58 N HA 0.173 4.913 4.740 0.000 0.000 0.278 58 N C -0.986 174.530 175.510 0.009 0.000 1.117 58 N CA -0.673 52.383 53.050 0.010 0.000 0.867 58 N CB 2.014 40.496 38.487 -0.008 0.000 1.649 58 N HN 0.069 nan 8.380 nan 0.000 0.479 59 K N 1.369 121.771 120.400 0.003 0.000 2.569 59 K HA -0.151 4.169 4.320 0.000 0.000 0.280 59 K C -0.391 176.209 176.600 0.001 0.000 0.984 59 K CA 0.559 56.848 56.287 0.002 0.000 1.064 59 K CB 0.179 32.678 32.500 -0.002 0.000 0.866 59 K HN 0.743 nan 8.250 nan 0.000 0.492 60 Q N 1.739 121.541 119.800 0.003 0.000 3.236 60 Q HA -0.160 4.180 4.340 0.000 0.000 0.024 60 Q C -1.599 174.406 176.000 0.007 0.000 1.713 60 Q CA 1.343 57.147 55.803 0.001 0.000 0.236 60 Q CB -0.185 28.549 28.738 -0.006 0.000 0.735 60 Q HN 0.827 nan 8.270 nan 0.000 0.322 61 D N 1.801 122.205 120.400 0.006 0.000 2.313 61 D HA 0.347 4.988 4.640 0.000 0.000 0.247 61 D C 0.126 176.432 176.300 0.009 0.000 1.094 61 D CA -0.105 53.904 54.000 0.015 0.000 0.925 61 D CB 0.468 41.276 40.800 0.012 0.000 1.188 61 D HN 0.331 nan 8.370 nan 0.000 0.430 62 I N 2.932 123.515 120.570 0.023 0.000 2.337 62 I HA 0.226 4.396 4.170 0.000 0.000 0.285 62 I C -2.228 173.895 176.117 0.009 0.000 1.041 62 I CA -3.149 58.158 61.300 0.011 0.000 1.199 62 I CB 0.278 38.291 38.000 0.022 0.000 1.370 62 I HN -0.092 nan 8.210 nan 0.000 0.470 63 P HA -0.011 nan 4.420 nan 0.000 0.266 63 P C -0.182 177.114 177.300 -0.007 0.000 1.193 63 P CA -0.276 62.815 63.100 -0.014 0.000 0.770 63 P CB 0.553 32.225 31.700 -0.048 0.000 0.836 64 K N 2.670 123.079 120.400 0.014 0.000 2.292 64 K HA 0.276 4.597 4.320 0.000 0.000 0.290 64 K C -1.276 175.346 176.600 0.036 0.000 1.083 64 K CA -0.321 55.981 56.287 0.024 0.000 0.918 64 K CB -0.056 32.486 32.500 0.070 0.000 1.089 64 K HN 0.163 nan 8.250 nan 0.000 0.473 65 V N 3.468 123.404 119.914 0.036 0.000 2.376 65 V HA 0.264 4.384 4.120 0.000 0.000 0.287 65 V C -0.366 175.841 176.094 0.190 0.000 1.015 65 V CA -0.706 61.644 62.300 0.083 0.000 0.834 65 V CB 1.190 33.033 31.823 0.034 0.000 1.001 65 V HN 0.781 nan 8.190 nan 0.000 0.428 66 S N 3.129 118.968 115.700 0.233 0.000 2.634 66 S HA 0.780 5.250 4.470 0.000 0.000 0.296 66 S C 1.019 175.789 174.600 0.284 0.000 1.104 66 S CA 0.238 58.614 58.200 0.294 0.000 0.920 66 S CB 2.178 65.538 63.200 0.267 0.000 1.111 66 S HN 0.885 nan 8.310 nan 0.000 0.493 67 A N 1.595 124.499 122.820 0.139 0.000 2.072 67 A HA 0.232 4.552 4.320 0.000 0.000 0.216 67 A C 0.209 177.632 177.584 -0.268 0.000 1.156 67 A CA 0.660 52.663 52.037 -0.057 0.000 0.701 67 A CB -0.452 18.337 19.000 -0.351 0.000 0.816 67 A HN 0.790 nan 8.150 nan 0.000 0.458 68 Y N 1.245 121.629 120.300 0.139 0.000 2.928 68 Y HA 0.358 4.908 4.550 0.000 0.000 0.390 68 Y C 0.319 176.243 175.900 0.040 0.000 1.101 68 Y CA -0.340 57.803 58.100 0.072 0.000 1.777 68 Y CB -0.225 38.270 38.460 0.058 0.000 1.720 68 Y HN 0.524 nan 8.280 nan 0.000 0.484 69 Q N -1.746 118.117 119.800 0.105 0.000 2.309 69 Q HA 0.388 4.728 4.340 0.000 0.000 0.273 69 Q C -1.510 174.529 176.000 0.066 0.000 1.040 69 Q CA -1.258 54.614 55.803 0.115 0.000 0.834 69 Q CB 1.289 30.125 28.738 0.164 0.000 1.345 69 Q HN 0.204 nan 8.270 nan 0.000 0.414 70 Y N 1.018 121.365 120.300 0.078 0.000 2.683 70 Y HA 0.086 4.637 4.550 0.000 0.000 0.340 70 Y C 0.506 176.394 175.900 -0.019 0.000 1.245 70 Y CA 0.188 58.312 58.100 0.039 0.000 1.485 70 Y CB 0.614 39.090 38.460 0.026 0.000 1.328 70 Y HN 0.321 nan 8.280 nan 0.000 0.603 71 R N 2.277 122.801 120.500 0.040 0.000 2.360 71 R HA 0.474 4.814 4.340 0.000 0.000 0.318 71 R C -1.701 174.375 176.300 -0.374 0.000 0.950 71 R CA -0.740 55.199 56.100 -0.270 0.000 0.837 71 R CB 1.400 31.386 30.300 -0.522 0.000 1.165 71 R HN 0.417 nan 8.270 nan 0.000 0.458 72 V N 5.389 125.115 119.914 -0.312 0.000 2.378 72 V HA 0.447 4.567 4.120 0.000 0.000 0.288 72 V C -0.468 175.458 176.094 -0.280 0.000 1.016 72 V CA -0.715 61.483 62.300 -0.170 0.000 0.840 72 V CB 1.078 32.987 31.823 0.143 0.000 0.994 72 V HN 0.475 nan 8.190 nan 0.000 0.431 73 F N 3.373 123.300 119.950 -0.039 0.000 2.421 73 F HA 0.589 5.116 4.527 0.000 0.000 0.337 73 F C 0.662 176.293 175.800 -0.281 0.000 1.105 73 F CA -0.634 57.292 58.000 -0.124 0.000 1.049 73 F CB 1.364 40.225 39.000 -0.232 0.000 1.139 73 F HN 0.318 nan 8.300 nan 0.000 0.479 74 R N 3.337 123.736 120.500 -0.169 0.000 2.278 74 R HA 0.479 4.819 4.340 0.000 0.000 0.322 74 R C -1.579 174.517 176.300 -0.339 0.000 1.058 74 R CA -0.375 55.360 56.100 -0.608 0.000 0.991 74 R CB 0.584 30.526 30.300 -0.598 0.000 1.140 74 R HN 0.587 nan 8.270 nan 0.000 0.518 75 V N 4.374 124.082 119.914 -0.344 0.000 2.470 75 V HA 0.041 4.161 4.120 0.000 0.000 0.276 75 V C 0.198 176.145 176.094 -0.244 0.000 1.040 75 V CA -0.110 62.048 62.300 -0.237 0.000 1.008 75 V CB 1.186 32.834 31.823 -0.291 0.000 0.990 75 V HN 0.643 nan 8.190 nan 0.000 0.477 76 Q N 5.087 124.791 119.800 -0.160 0.000 2.368 76 Q HA 0.515 4.855 4.340 0.000 0.000 0.256 76 Q C -0.848 175.058 176.000 -0.157 0.000 0.980 76 Q CA -0.026 55.698 55.803 -0.131 0.000 0.887 76 Q CB 0.989 29.686 28.738 -0.068 0.000 1.221 76 Q HN 0.703 nan 8.270 nan 0.000 0.458 77 L N 5.499 126.595 121.223 -0.212 0.000 2.416 77 L HA 0.653 4.993 4.340 0.000 0.000 0.262 77 L C -1.882 174.792 176.870 -0.326 0.000 1.093 77 L CA -2.228 52.399 54.840 -0.354 0.000 0.801 77 L CB 0.949 42.716 42.059 -0.487 0.000 1.191 77 L HN 0.576 nan 8.230 nan 0.000 0.459 78 P HA 0.028 nan 4.420 nan 0.000 0.282 78 P C -1.137 176.014 177.300 -0.249 0.000 1.249 78 P CA -0.419 62.415 63.100 -0.443 0.000 0.806 78 P CB 1.002 32.216 31.700 -0.810 0.000 0.984 79 D N 4.226 124.534 120.400 -0.154 0.000 2.363 79 D HA 0.004 4.644 4.640 0.000 0.000 0.263 79 D C -0.986 175.199 176.300 -0.192 0.000 1.258 79 D CA -1.798 52.135 54.000 -0.112 0.000 0.907 79 D CB 0.656 41.437 40.800 -0.030 0.000 1.107 79 D HN 0.228 nan 8.370 nan 0.000 0.495 80 P HA -0.153 nan 4.420 nan 0.000 0.221 80 P C 0.742 177.846 177.300 -0.327 0.000 1.145 80 P CA 0.796 63.519 63.100 -0.628 0.000 0.795 80 P CB 0.580 31.483 31.700 -1.327 0.000 0.775 81 N N 1.026 119.581 118.700 -0.242 0.000 2.148 81 N HA -0.050 4.690 4.740 0.000 0.000 0.186 81 N C 1.288 176.791 175.510 -0.013 0.000 1.031 81 N CA 1.060 54.023 53.050 -0.146 0.000 0.848 81 N CB -0.394 38.016 38.487 -0.129 0.000 1.005 81 N HN 0.300 nan 8.380 nan 0.000 0.427 82 K N 0.227 120.639 120.400 0.019 0.000 2.589 82 K HA 0.075 4.395 4.320 0.000 0.000 0.204 82 K C -0.389 176.288 176.600 0.129 0.000 1.029 82 K CA -0.135 56.187 56.287 0.059 0.000 1.177 82 K CB -0.214 32.317 32.500 0.051 0.000 0.902 82 K HN 0.037 nan 8.250 nan 0.000 0.501 83 F N 0.840 120.743 119.950 -0.079 0.000 2.443 83 F HA 0.438 4.965 4.527 0.000 0.000 0.335 83 F C 0.519 176.303 175.800 -0.027 0.000 1.104 83 F CA -1.417 56.546 58.000 -0.063 0.000 1.013 83 F CB 1.157 40.090 39.000 -0.111 0.000 1.136 83 F HN -0.014 nan 8.300 nan 0.000 0.470 84 G N 6.611 115.064 108.800 -0.578 0.000 2.361 84 G HA2 0.414 4.374 3.960 0.000 0.000 0.260 84 G HA3 0.414 4.374 3.960 0.000 0.000 0.260 84 G C -0.827 173.711 174.900 -0.602 0.000 1.261 84 G CA -0.453 44.367 45.100 -0.467 0.000 0.897 84 G HN 0.700 nan 8.290 nan 0.000 0.499 85 L N 3.895 124.981 121.223 -0.229 0.000 2.352 85 L HA 0.379 4.719 4.340 0.000 0.000 0.269 85 L C -0.810 176.061 176.870 0.002 0.000 1.034 85 L CA -2.059 52.742 54.840 -0.065 0.000 0.806 85 L CB 2.337 44.402 42.059 0.009 0.000 1.244 85 L HN 0.391 nan 8.230 nan 0.000 0.447 86 P HA -0.113 nan 4.420 nan 0.000 0.229 86 P C -0.547 176.780 177.300 0.046 0.000 1.150 86 P CA 1.130 64.272 63.100 0.071 0.000 0.765 86 P CB 0.074 31.834 31.700 0.100 0.000 0.783 87 D N -2.700 117.727 120.400 0.046 0.000 2.474 87 D HA 0.055 4.696 4.640 0.000 0.000 0.199 87 D C -0.737 175.596 176.300 0.054 0.000 1.151 87 D CA -0.354 53.670 54.000 0.040 0.000 0.785 87 D CB -0.129 40.697 40.800 0.044 0.000 2.567 87 D HN -0.375 nan 8.370 nan 0.000 0.491 88 T N 1.645 116.230 114.554 0.052 0.000 3.260 88 T HA 0.258 4.608 4.350 0.000 0.000 0.254 88 T C 0.826 175.583 174.700 0.094 0.000 0.951 88 T CA 0.366 62.526 62.100 0.100 0.000 0.918 88 T CB -0.163 68.749 68.868 0.073 0.000 1.098 88 T HN 0.396 nan 8.240 nan 0.000 0.563 89 S N 0.030 115.777 115.700 0.079 0.000 2.741 89 S HA 0.253 4.723 4.470 0.000 0.000 0.247 89 S C 1.266 175.916 174.600 0.082 0.000 1.050 89 S CA -0.502 57.726 58.200 0.046 0.000 1.025 89 S CB -0.276 62.934 63.200 0.016 0.000 0.897 89 S HN 0.266 nan 8.310 nan 0.000 0.508 90 I N 1.364 122.027 120.570 0.155 0.000 3.059 90 I HA 0.215 4.385 4.170 0.000 0.000 0.270 90 I C 0.862 177.100 176.117 0.202 0.000 1.238 90 I CA 0.518 61.894 61.300 0.127 0.000 1.478 90 I CB -1.342 36.695 38.000 0.062 0.000 1.097 90 I HN 0.708 nan 8.210 nan 0.000 0.455 91 Y N -0.596 119.667 120.300 -0.061 0.000 2.853 91 Y HA 0.527 5.077 4.550 0.000 0.000 0.326 91 Y C -0.808 175.051 175.900 -0.068 0.000 1.384 91 Y CA -1.663 56.394 58.100 -0.072 0.000 1.077 91 Y CB 0.989 39.386 38.460 -0.105 0.000 1.395 91 Y HN -0.091 nan 8.280 nan 0.000 0.451 92 N N 2.694 121.161 118.700 -0.388 0.000 2.564 92 N HA 0.387 5.127 4.740 0.000 0.000 0.248 92 N C -2.302 172.806 175.510 -0.670 0.000 0.986 92 N CA -2.863 49.888 53.050 -0.498 0.000 0.921 92 N CB 1.670 40.025 38.487 -0.220 0.000 1.136 92 N HN 0.409 nan 8.380 nan 0.000 0.509 93 P HA -0.129 nan 4.420 nan 0.000 0.231 93 P C 0.094 177.242 177.300 -0.252 0.000 1.154 93 P CA 0.996 63.746 63.100 -0.583 0.000 0.762 93 P CB 0.524 31.958 31.700 -0.444 0.000 0.790 94 E N -0.553 119.512 120.200 -0.225 0.000 2.201 94 E HA -0.009 4.342 4.350 0.000 0.000 0.193 94 E C 1.799 178.345 176.600 -0.091 0.000 0.957 94 E CA 1.571 57.895 56.400 -0.127 0.000 0.858 94 E CB -0.464 29.171 29.700 -0.109 0.000 0.816 94 E HN 0.389 nan 8.360 nan 0.000 0.475 95 T N -1.637 112.859 114.554 -0.097 0.000 3.044 95 T HA 0.138 4.489 4.350 0.000 0.000 0.260 95 T C 0.736 175.411 174.700 -0.040 0.000 1.019 95 T CA -0.341 61.727 62.100 -0.054 0.000 0.921 95 T CB 0.331 69.175 68.868 -0.041 0.000 1.053 95 T HN 0.072 nan 8.240 nan 0.000 0.533 96 Q N -0.184 119.586 119.800 -0.050 0.000 2.553 96 Q HA 0.711 5.052 4.340 0.000 0.000 0.293 96 Q C -1.454 174.533 176.000 -0.022 0.000 1.038 96 Q CA -1.404 54.391 55.803 -0.013 0.000 0.777 96 Q CB 1.722 30.496 28.738 0.060 0.000 1.487 96 Q HN -0.083 nan 8.270 nan 0.000 0.426 97 R N 0.455 120.816 120.500 -0.230 0.000 2.854 97 R HA 0.643 4.984 4.340 0.000 0.000 0.271 97 R C -0.849 175.134 176.300 -0.528 0.000 0.994 97 R CA -0.865 54.906 56.100 -0.547 0.000 0.945 97 R CB 1.602 31.055 30.300 -1.412 0.000 1.194 97 R HN 0.656 nan 8.270 nan 0.000 0.476 98 L N 0.990 121.834 121.223 -0.631 0.000 2.331 98 L HA 0.708 5.048 4.340 0.000 0.000 0.275 98 L C -0.352 176.236 176.870 -0.470 0.000 1.022 98 L CA -1.032 53.444 54.840 -0.606 0.000 0.812 98 L CB 1.859 43.441 42.059 -0.795 0.000 1.257 98 L HN 0.141 nan 8.230 nan 0.000 0.435 99 V N -0.287 119.367 119.914 -0.433 0.000 3.049 99 V HA 0.370 4.490 4.120 0.000 0.000 0.309 99 V C -1.306 174.568 176.094 -0.366 0.000 1.148 99 V CA -0.881 61.230 62.300 -0.315 0.000 0.990 99 V CB 2.151 33.866 31.823 -0.180 0.000 1.039 99 V HN 0.647 nan 8.190 nan 0.000 0.430 100 W N 1.598 122.776 121.300 -0.204 0.000 2.351 100 W HA 0.718 5.379 4.660 0.000 0.000 0.311 100 W C 0.166 176.608 176.519 -0.129 0.000 1.168 100 W CA -0.428 56.801 57.345 -0.192 0.000 1.200 100 W CB 1.604 30.866 29.460 -0.331 0.000 1.221 100 W HN 0.722 nan 8.180 nan 0.000 0.519 101 A N 3.661 126.641 122.820 0.268 0.000 2.304 101 A HA 0.466 4.786 4.320 0.000 0.000 0.314 101 A C -0.771 176.938 177.584 0.208 0.000 1.187 101 A CA -0.647 51.453 52.037 0.106 0.000 0.810 101 A CB 0.609 19.604 19.000 -0.008 0.000 1.183 101 A HN 0.750 nan 8.150 nan 0.000 0.487 102 C N 2.351 121.722 119.300 0.118 0.000 2.653 102 C HA 0.495 4.955 4.460 0.000 0.000 0.421 102 C C 1.417 176.381 174.990 -0.043 0.000 1.334 102 C CA 0.860 59.890 59.018 0.019 0.000 1.885 102 C CB -0.014 27.715 27.740 -0.018 0.000 2.645 102 C HN 1.060 nan 8.230 nan 0.000 0.601 103 A N 3.577 126.357 122.820 -0.066 0.000 2.263 103 A HA 0.626 4.947 4.320 0.000 0.000 0.200 103 A C 0.620 178.278 177.584 0.124 0.000 1.428 103 A CA 0.667 52.743 52.037 0.065 0.000 1.050 103 A CB -0.047 19.052 19.000 0.165 0.000 1.226 103 A HN 1.374 nan 8.150 nan 0.000 0.501 104 G N -0.754 108.020 108.800 -0.044 0.000 2.759 104 G HA2 0.551 4.511 3.960 0.000 0.000 0.297 104 G HA3 0.551 4.511 3.960 0.000 0.000 0.297 104 G C -1.619 173.121 174.900 -0.267 0.000 1.434 104 G CA -0.260 44.832 45.100 -0.014 0.000 0.980 104 G HN 0.556 nan 8.290 nan 0.000 0.531 105 V N 0.215 119.901 119.914 -0.380 0.000 3.049 105 V HA 0.799 4.920 4.120 0.000 0.000 0.309 105 V C -0.763 175.070 176.094 -0.435 0.000 1.148 105 V CA -0.849 61.186 62.300 -0.441 0.000 0.990 105 V CB 2.339 33.972 31.823 -0.317 0.000 1.039 105 V HN 0.932 nan 8.190 nan 0.000 0.430 106 E N 2.211 122.123 120.200 -0.479 0.000 2.404 106 E HA 0.464 4.814 4.350 0.000 0.000 0.298 106 E C -1.956 174.464 176.600 -0.300 0.000 0.908 106 E CA -0.558 55.650 56.400 -0.320 0.000 0.808 106 E CB 1.286 30.794 29.700 -0.321 0.000 1.380 106 E HN 0.591 nan 8.360 nan 0.000 0.392 107 I N 3.451 123.950 120.570 -0.119 0.000 2.337 107 I HA 0.352 4.523 4.170 0.000 0.000 0.291 107 I C 0.867 176.912 176.117 -0.121 0.000 1.046 107 I CA 0.107 61.321 61.300 -0.144 0.000 1.324 107 I CB 1.450 39.410 38.000 -0.067 0.000 1.409 107 I HN 0.476 nan 8.210 nan 0.000 0.494 108 G N 6.261 114.955 108.800 -0.178 0.000 2.400 108 G HA2 0.634 4.595 3.960 0.000 0.000 0.301 108 G HA3 0.634 4.595 3.960 0.000 0.000 0.301 108 G C -0.321 174.438 174.900 -0.234 0.000 1.154 108 G CA -0.666 44.343 45.100 -0.152 0.000 0.852 108 G HN 0.344 nan 8.290 nan 0.000 0.511 109 R N 0.769 121.139 120.500 -0.218 0.000 2.534 109 R HA 0.445 4.786 4.340 0.000 0.000 0.301 109 R C 0.889 177.068 176.300 -0.201 0.000 0.961 109 R CA -0.372 55.534 56.100 -0.325 0.000 0.871 109 R CB 1.770 31.892 30.300 -0.297 0.000 1.170 109 R HN 0.619 nan 8.270 nan 0.000 0.446 110 G N 1.793 110.463 108.800 -0.217 0.000 2.658 110 G HA2 -0.085 3.876 3.960 0.000 0.000 0.217 110 G HA3 -0.085 3.876 3.960 0.000 0.000 0.217 110 G C 0.067 174.914 174.900 -0.087 0.000 1.319 110 G CA 0.028 45.053 45.100 -0.125 0.000 0.885 110 G HN 0.386 nan 8.290 nan 0.000 0.553 111 Q N 1.309 121.060 119.800 -0.081 0.000 2.560 111 Q HA 0.044 4.384 4.340 0.000 0.000 0.303 111 Q C -2.011 173.973 176.000 -0.027 0.000 1.230 111 Q CA -0.249 55.529 55.803 -0.042 0.000 1.023 111 Q CB -0.409 28.312 28.738 -0.029 0.000 1.317 111 Q HN 0.315 nan 8.270 nan 0.000 0.482 112 P HA 0.218 nan 4.420 nan 0.000 0.282 112 P C -0.533 176.776 177.300 0.015 0.000 1.259 112 P CA -0.648 62.454 63.100 0.003 0.000 0.826 112 P CB 0.669 32.373 31.700 0.007 0.000 1.064 113 L N 0.941 122.175 121.223 0.019 0.000 2.483 113 L HA 0.499 4.839 4.340 0.000 0.000 0.275 113 L C 1.384 178.273 176.870 0.032 0.000 1.220 113 L CA 1.600 56.458 54.840 0.029 0.000 0.833 113 L CB -0.645 41.433 42.059 0.031 0.000 1.102 113 L HN 0.789 nan 8.230 nan 0.000 0.490 114 G N 0.546 109.370 108.800 0.039 0.000 2.466 114 G HA2 0.552 4.513 3.960 0.000 0.000 0.291 114 G HA3 0.552 4.513 3.960 0.000 0.000 0.291 114 G C -1.733 173.194 174.900 0.046 0.000 1.460 114 G CA -0.130 44.993 45.100 0.040 0.000 0.791 114 G HN 0.677 nan 8.290 nan 0.000 0.505 115 V N -1.706 118.237 119.914 0.048 0.000 2.628 115 V HA 1.034 5.154 4.120 0.000 0.000 0.306 115 V C 0.341 176.466 176.094 0.051 0.000 1.045 115 V CA -0.168 62.170 62.300 0.063 0.000 0.905 115 V CB 1.475 33.339 31.823 0.068 0.000 0.997 115 V HN 1.839 nan 8.190 nan 0.000 0.436 116 G N 2.995 111.838 108.800 0.072 0.000 2.620 116 G HA2 0.690 4.650 3.960 0.000 0.000 0.301 116 G HA3 0.690 4.650 3.960 0.000 0.000 0.301 116 G C -1.278 173.663 174.900 0.069 0.000 1.347 116 G CA -0.994 44.137 45.100 0.053 0.000 0.971 116 G HN 0.849 nan 8.290 nan 0.000 0.488 117 L N 0.535 121.779 121.223 0.036 0.000 2.387 117 L HA 0.727 5.067 4.340 0.000 0.000 0.266 117 L C 0.205 177.066 176.870 -0.016 0.000 1.059 117 L CA -0.749 54.070 54.840 -0.036 0.000 0.801 117 L CB 1.984 44.015 42.059 -0.046 0.000 1.223 117 L HN 0.457 nan 8.230 nan 0.000 0.456 118 S N -0.386 115.176 115.700 -0.230 0.000 2.541 118 S HA 0.851 5.321 4.470 0.000 0.000 0.280 118 S C -0.199 174.188 174.600 -0.355 0.000 1.112 118 S CA -0.597 57.426 58.200 -0.296 0.000 0.925 118 S CB 2.161 65.128 63.200 -0.387 0.000 1.067 118 S HN 0.905 nan 8.310 nan 0.000 0.479 119 G N 0.822 109.386 108.800 -0.393 0.000 2.782 119 G HA2 0.654 4.614 3.960 0.000 0.000 0.304 119 G HA3 0.654 4.614 3.960 0.000 0.000 0.304 119 G C -2.063 172.718 174.900 -0.199 0.000 1.315 119 G CA -0.394 44.548 45.100 -0.265 0.000 0.791 119 G HN 0.648 nan 8.290 nan 0.000 0.519 120 H N -0.542 118.407 119.070 -0.202 0.000 2.954 120 H HA 0.405 4.961 4.556 0.000 0.000 0.361 120 H C -2.265 172.951 175.328 -0.188 0.000 1.122 120 H CA -1.415 54.548 56.048 -0.142 0.000 1.217 120 H CB 2.936 32.701 29.762 0.005 0.000 1.776 120 H HN 0.117 nan 8.280 nan 0.000 0.533 121 P HA 0.047 nan 4.420 nan 0.000 0.226 121 P C -0.238 176.786 177.300 -0.459 0.000 1.153 121 P CA 1.143 64.001 63.100 -0.404 0.000 0.777 121 P CB 0.104 31.349 31.700 -0.759 0.000 0.794 122 F N -2.853 117.320 119.950 0.371 0.000 2.566 122 F HA 0.251 4.778 4.527 0.000 0.000 0.347 122 F C 0.181 175.850 175.800 -0.219 0.000 1.515 122 F CA -1.278 56.748 58.000 0.044 0.000 1.103 122 F CB 0.111 39.133 39.000 0.037 0.000 1.385 122 F HN -0.205 nan 8.300 nan 0.000 0.560 123 Y N 1.948 122.141 120.300 -0.179 0.000 2.480 123 Y HA 0.055 4.606 4.550 0.000 0.000 0.338 123 Y C 0.738 176.499 175.900 -0.232 0.000 1.220 123 Y CA -0.134 57.783 58.100 -0.304 0.000 1.430 123 Y CB 0.554 38.863 38.460 -0.251 0.000 1.311 123 Y HN 0.293 nan 8.280 nan 0.000 0.575 124 N N 5.415 123.787 118.700 -0.546 0.000 3.034 124 N HA 0.068 4.808 4.740 0.000 0.000 0.265 124 N C -1.359 173.965 175.510 -0.311 0.000 1.166 124 N CA -0.196 52.637 53.050 -0.361 0.000 1.081 124 N CB -0.199 38.080 38.487 -0.346 0.000 1.378 124 N HN 0.544 nan 8.380 nan 0.000 0.520 125 K N 3.716 124.031 120.400 -0.141 0.000 2.367 125 K HA 0.136 4.456 4.320 0.000 0.000 0.263 125 K C 0.409 176.936 176.600 -0.121 0.000 1.000 125 K CA -0.611 55.580 56.287 -0.160 0.000 0.891 125 K CB 0.920 33.159 32.500 -0.436 0.000 1.117 125 K HN 0.259 nan 8.250 nan 0.000 0.443 126 L N 3.892 125.091 121.223 -0.042 0.000 1.973 126 L HA -0.048 4.292 4.340 0.000 0.000 0.208 126 L C -0.379 176.506 176.870 0.026 0.000 1.073 126 L CA 2.150 56.986 54.840 -0.007 0.000 0.746 126 L CB -0.179 41.890 42.059 0.016 0.000 0.891 126 L HN 0.930 nan 8.230 nan 0.000 0.433 127 D N -3.654 116.810 120.400 0.107 0.000 2.755 127 D HA 0.160 4.800 4.640 0.000 0.000 0.277 127 D C -1.500 175.016 176.300 0.360 0.000 1.261 127 D CA -0.661 53.442 54.000 0.172 0.000 0.759 127 D CB -0.056 40.822 40.800 0.131 0.000 1.279 127 D HN -0.022 nan 8.370 nan 0.000 0.420 128 D N -0.749 119.871 120.400 0.366 0.000 2.358 128 D HA 0.314 4.954 4.640 0.000 0.000 0.258 128 D C 0.786 177.253 176.300 0.279 0.000 1.223 128 D CA 0.159 54.397 54.000 0.397 0.000 0.886 128 D CB 0.744 41.720 40.800 0.293 0.000 1.120 128 D HN 0.450 nan 8.370 nan 0.000 0.482 129 T N -0.063 114.671 114.554 0.301 0.000 3.092 129 T HA 0.081 4.432 4.350 0.000 0.000 0.258 129 T C 1.263 176.083 174.700 0.200 0.000 1.031 129 T CA -0.326 61.921 62.100 0.246 0.000 0.925 129 T CB 0.094 69.159 68.868 0.328 0.000 1.036 129 T HN 0.502 nan 8.240 nan 0.000 0.544 130 E N 2.124 122.434 120.200 0.184 0.000 2.152 130 E HA -0.061 4.289 4.350 0.000 0.000 0.192 130 E C 0.623 177.257 176.600 0.057 0.000 0.983 130 E CA 1.166 57.648 56.400 0.137 0.000 0.818 130 E CB 0.201 29.779 29.700 -0.203 0.000 0.758 130 E HN 0.644 nan 8.360 nan 0.000 0.467 131 S N -0.269 115.458 115.700 0.045 0.000 2.703 131 S HA -0.001 4.469 4.470 0.000 0.000 0.188 131 S C -0.351 174.261 174.600 0.020 0.000 0.797 131 S CA -0.112 58.095 58.200 0.012 0.000 0.888 131 S CB -0.989 62.188 63.200 -0.038 0.000 1.605 131 S HN 0.228 nan 8.310 nan 0.000 0.553 132 S N 1.528 117.272 115.700 0.074 0.000 2.810 132 S HA -0.048 4.422 4.470 0.000 0.000 0.329 132 S C 1.121 175.775 174.600 0.090 0.000 1.231 132 S CA 0.086 58.348 58.200 0.103 0.000 1.042 132 S CB -0.149 63.124 63.200 0.121 0.000 0.756 132 S HN 0.496 nan 8.310 nan 0.000 0.504 133 H N 2.945 122.044 119.070 0.049 0.000 2.437 133 H HA -0.150 4.407 4.556 0.000 0.000 0.296 133 H C 1.193 176.541 175.328 0.034 0.000 1.121 133 H CA 1.922 57.991 56.048 0.036 0.000 1.255 133 H CB -0.136 29.646 29.762 0.033 0.000 1.366 133 H HN 0.918 nan 8.280 nan 0.000 0.512 134 A N -1.232 121.688 122.820 0.167 0.000 6.075 134 A HA 0.570 4.890 4.320 0.000 0.000 0.142 134 A C -0.616 177.021 177.584 0.089 0.000 0.950 134 A CA 0.101 52.204 52.037 0.110 0.000 1.278 134 A CB -0.569 18.493 19.000 0.103 0.000 2.412 134 A HN 0.349 nan 8.150 nan 0.000 1.145 135 A N -0.461 122.401 122.820 0.070 0.000 2.310 135 A HA 0.661 4.981 4.320 0.000 0.000 0.260 135 A C 0.690 178.311 177.584 0.062 0.000 1.112 135 A CA 1.015 53.087 52.037 0.058 0.000 0.804 135 A CB -0.418 18.607 19.000 0.042 0.000 1.081 135 A HN 2.238 nan 8.150 nan 0.000 0.499 136 T N -2.321 112.265 114.554 0.053 0.000 2.742 136 T HA 0.632 4.982 4.350 0.000 0.000 0.282 136 T C 0.233 174.954 174.700 0.034 0.000 1.025 136 T CA 0.017 62.148 62.100 0.052 0.000 1.020 136 T CB 0.365 69.273 68.868 0.067 0.000 1.317 136 T HN 1.540 nan 8.240 nan 0.000 0.538 137 S N 1.090 116.807 115.700 0.029 0.000 2.566 137 S HA 0.128 4.598 4.470 0.000 0.000 0.280 137 S C 0.276 174.881 174.600 0.009 0.000 1.343 137 S CA -0.572 57.637 58.200 0.015 0.000 1.036 137 S CB -0.490 62.717 63.200 0.011 0.000 0.866 137 S HN 0.977 nan 8.310 nan 0.000 0.526 138 N N 0.471 119.173 118.700 0.003 0.000 2.492 138 N HA 0.031 4.771 4.740 0.000 0.000 0.260 138 N C -0.085 175.420 175.510 -0.008 0.000 1.215 138 N CA -0.338 52.711 53.050 -0.002 0.000 0.923 138 N CB 0.403 38.887 38.487 -0.004 0.000 1.092 138 N HN 0.479 nan 8.380 nan 0.000 0.448 139 V N 3.259 123.166 119.914 -0.012 0.000 2.670 139 V HA -0.024 4.096 4.120 0.000 0.000 0.344 139 V C 1.684 177.764 176.094 -0.023 0.000 1.648 139 V CA 0.450 62.739 62.300 -0.020 0.000 1.673 139 V CB -1.963 29.846 31.823 -0.023 0.000 1.382 139 V HN 0.801 nan 8.190 nan 0.000 0.503 140 S N 1.047 116.735 115.700 -0.021 0.000 2.459 140 S HA -0.149 4.322 4.470 0.000 0.000 0.204 140 S C 1.415 175.997 174.600 -0.031 0.000 1.102 140 S CA 1.583 59.769 58.200 -0.023 0.000 1.258 140 S CB 0.088 63.275 63.200 -0.021 0.000 1.033 140 S HN 0.676 nan 8.310 nan 0.000 0.398 141 E N -0.150 120.028 120.200 -0.036 0.000 3.844 141 E HA 0.156 4.506 4.350 0.000 0.000 0.201 141 E C -1.031 175.535 176.600 -0.058 0.000 1.278 141 E CA -0.001 56.371 56.400 -0.046 0.000 1.565 141 E CB 0.578 30.250 29.700 -0.046 0.000 1.543 141 E HN 0.416 nan 8.360 nan 0.000 0.584 142 D N 0.849 121.214 120.400 -0.059 0.000 2.464 142 D HA 0.247 4.888 4.640 0.000 0.000 0.243 142 D C -0.314 175.956 176.300 -0.050 0.000 1.104 142 D CA -0.165 53.792 54.000 -0.072 0.000 0.883 142 D CB 1.782 42.524 40.800 -0.097 0.000 1.050 142 D HN 0.021 nan 8.370 nan 0.000 0.524 143 V N 3.534 123.421 119.914 -0.044 0.000 3.380 143 V HA 0.228 4.348 4.120 0.000 0.000 0.307 143 V C 1.062 177.141 176.094 -0.024 0.000 1.434 143 V CA -0.342 61.941 62.300 -0.028 0.000 1.075 143 V CB -0.475 31.331 31.823 -0.028 0.000 0.954 143 V HN 0.315 nan 8.190 nan 0.000 0.444 144 R N 1.913 122.400 120.500 -0.021 0.000 2.585 144 R HA 0.187 4.527 4.340 0.000 0.000 0.275 144 R C -0.583 175.754 176.300 0.062 0.000 1.018 144 R CA 0.438 56.544 56.100 0.009 0.000 1.072 144 R CB 0.280 30.599 30.300 0.032 0.000 0.953 144 R HN 0.340 nan 8.270 nan 0.000 0.419 145 D N 0.618 121.033 120.400 0.024 0.000 2.467 145 D HA 0.112 4.753 4.640 0.000 0.000 0.245 145 D C -0.567 175.725 176.300 -0.012 0.000 1.038 145 D CA -0.633 53.368 54.000 0.002 0.000 1.038 145 D CB 1.051 41.809 40.800 -0.069 0.000 1.278 145 D HN 0.335 nan 8.370 nan 0.000 0.564 146 N N 1.022 119.690 118.700 -0.053 0.000 2.414 146 N HA 0.289 5.029 4.740 0.000 0.000 0.256 146 N C -0.900 174.524 175.510 -0.142 0.000 1.029 146 N CA -0.193 52.800 53.050 -0.096 0.000 0.948 146 N CB 0.642 39.063 38.487 -0.109 0.000 1.102 146 N HN 0.267 nan 8.380 nan 0.000 0.496 147 V N 0.767 120.563 119.914 -0.197 0.000 3.130 147 V HA 0.871 4.991 4.120 0.000 0.000 0.310 147 V C -0.232 175.704 176.094 -0.263 0.000 1.158 147 V CA -0.818 61.316 62.300 -0.277 0.000 1.029 147 V CB 1.453 32.969 31.823 -0.511 0.000 1.057 147 V HN 0.692 nan 8.190 nan 0.000 0.436 148 S N 0.883 116.454 115.700 -0.215 0.000 2.697 148 S HA 0.967 5.438 4.470 0.000 0.000 0.289 148 S C -0.933 173.570 174.600 -0.161 0.000 1.149 148 S CA -0.281 57.802 58.200 -0.196 0.000 0.850 148 S CB 1.709 64.820 63.200 -0.148 0.000 1.151 148 S HN 2.414 nan 8.310 nan 0.000 0.491 149 V N 1.183 120.979 119.914 -0.198 0.000 3.036 149 V HA 0.404 4.524 4.120 0.000 0.000 0.280 149 V C -2.209 173.704 176.094 -0.302 0.000 1.497 149 V CA -0.635 61.562 62.300 -0.171 0.000 0.982 149 V CB 2.086 33.863 31.823 -0.077 0.000 1.171 149 V HN 1.245 nan 8.190 nan 0.000 0.444 150 D N 5.029 125.310 120.400 -0.198 0.000 2.277 150 D HA 0.292 4.932 4.640 0.000 0.000 0.249 150 D C -0.138 176.075 176.300 -0.144 0.000 1.134 150 D CA -0.000 53.895 54.000 -0.174 0.000 0.863 150 D CB 0.772 41.553 40.800 -0.032 0.000 1.143 150 D HN 0.548 nan 8.370 nan 0.000 0.458 151 Y N 0.463 120.696 120.300 -0.113 0.000 2.188 151 Y HA 0.026 4.576 4.550 0.000 0.000 0.360 151 Y C 1.702 177.599 175.900 -0.004 0.000 1.324 151 Y CA -0.767 57.239 58.100 -0.157 0.000 1.726 151 Y CB 0.625 38.746 38.460 -0.565 0.000 1.536 151 Y HN 0.300 nan 8.280 nan 0.000 0.628 152 K N 1.357 121.895 120.400 0.229 0.000 2.276 152 K HA -0.021 4.299 4.320 0.000 0.000 0.259 152 K C -0.653 176.102 176.600 0.259 0.000 1.001 152 K CA -0.380 56.010 56.287 0.172 0.000 0.927 152 K CB 0.516 33.088 32.500 0.121 0.000 0.969 152 K HN 0.674 nan 8.250 nan 0.000 0.490 153 Q N 2.517 122.440 119.800 0.204 0.000 2.340 153 Q HA 0.223 4.563 4.340 0.000 0.000 0.259 153 Q C -1.437 174.665 176.000 0.170 0.000 0.964 153 Q CA -0.490 55.436 55.803 0.205 0.000 0.900 153 Q CB 1.449 30.284 28.738 0.162 0.000 1.228 153 Q HN 0.694 nan 8.270 nan 0.000 0.449 154 T N 3.331 117.990 114.554 0.174 0.000 2.916 154 T HA 0.518 4.868 4.350 0.000 0.000 0.292 154 T C -1.047 173.732 174.700 0.131 0.000 1.055 154 T CA -0.755 61.435 62.100 0.151 0.000 1.009 154 T CB 1.802 70.771 68.868 0.169 0.000 1.118 154 T HN 0.577 nan 8.240 nan 0.000 0.497 155 Q N 1.405 121.277 119.800 0.119 0.000 2.313 155 Q HA 0.570 4.910 4.340 0.000 0.000 0.255 155 Q C -1.704 174.361 176.000 0.108 0.000 0.944 155 Q CA -0.767 55.112 55.803 0.127 0.000 0.881 155 Q CB 2.317 31.062 28.738 0.012 0.000 1.375 155 Q HN 0.664 nan 8.270 nan 0.000 0.422 156 L N -0.802 120.541 121.223 0.200 0.000 2.465 156 L HA 0.980 5.320 4.340 0.000 0.000 0.257 156 L C -1.615 175.423 176.870 0.280 0.000 0.988 156 L CA -0.709 54.238 54.840 0.179 0.000 0.827 156 L CB 2.410 44.586 42.059 0.195 0.000 1.397 156 L HN 0.685 nan 8.230 nan 0.000 0.410 157 C N 4.029 123.459 119.300 0.217 0.000 2.607 157 C HA 0.825 5.285 4.460 0.000 0.000 0.350 157 C C -1.328 173.787 174.990 0.208 0.000 1.101 157 C CA -0.331 58.861 59.018 0.290 0.000 1.282 157 C CB 0.587 28.576 27.740 0.415 0.000 1.825 157 C HN 0.754 nan 8.230 nan 0.000 0.460 158 I N 6.724 127.418 120.570 0.207 0.000 2.436 158 I HA 0.492 4.662 4.170 0.000 0.000 0.289 158 I C -0.402 175.812 176.117 0.162 0.000 1.010 158 I CA -0.553 60.836 61.300 0.148 0.000 1.098 158 I CB 1.457 39.488 38.000 0.050 0.000 1.266 158 I HN 0.587 nan 8.210 nan 0.000 0.434 159 L N 4.899 126.224 121.223 0.170 0.000 2.334 159 L HA 0.947 5.288 4.340 0.000 0.000 0.276 159 L C 0.327 176.921 176.870 -0.459 0.000 1.014 159 L CA -0.329 54.549 54.840 0.064 0.000 0.815 159 L CB 2.279 44.524 42.059 0.310 0.000 1.268 159 L HN 0.838 nan 8.230 nan 0.000 0.428 160 G N -0.116 108.362 108.800 -0.537 0.000 2.451 160 G HA2 0.303 4.263 3.960 0.000 0.000 0.292 160 G HA3 0.303 4.263 3.960 0.000 0.000 0.292 160 G C -0.691 174.098 174.900 -0.186 0.000 1.427 160 G CA -0.260 44.301 45.100 -0.898 0.000 0.792 160 G HN 0.720 nan 8.290 nan 0.000 0.498 161 C N -0.835 118.469 119.300 0.008 0.000 2.470 161 C HA 0.825 5.285 4.460 0.000 0.000 0.311 161 C C 0.734 175.826 174.990 0.170 0.000 1.387 161 C CA -0.292 58.898 59.018 0.288 0.000 1.783 161 C CB -1.509 26.470 27.740 0.398 0.000 2.416 161 C HN 1.788 nan 8.230 nan 0.000 0.558 162 A N 1.221 123.913 122.820 -0.213 0.000 2.555 162 A HA 0.802 5.122 4.320 0.000 0.000 0.297 162 A C -2.958 173.970 177.584 -1.095 0.000 1.060 162 A CA -0.846 50.772 52.037 -0.699 0.000 0.710 162 A CB 0.868 19.721 19.000 -0.246 0.000 1.282 162 A HN 0.169 nan 8.150 nan 0.000 0.399 163 P HA 0.235 nan 4.420 nan 0.000 0.267 163 P C 0.213 177.215 177.300 -0.496 0.000 1.195 163 P CA 0.569 63.048 63.100 -1.035 0.000 0.773 163 P CB 0.564 31.799 31.700 -0.775 0.000 0.837 164 A N 2.707 125.341 122.820 -0.312 0.000 2.286 164 A HA 0.533 4.853 4.320 0.000 0.000 0.286 164 A C 0.285 177.732 177.584 -0.228 0.000 1.097 164 A CA -0.668 51.225 52.037 -0.240 0.000 0.821 164 A CB -0.104 18.774 19.000 -0.203 0.000 1.076 164 A HN 0.472 nan 8.150 nan 0.000 0.490 165 I N 0.755 121.196 120.570 -0.214 0.000 2.392 165 I HA 0.556 4.726 4.170 0.000 0.000 0.295 165 I C 0.835 176.817 176.117 -0.225 0.000 0.985 165 I CA -0.010 61.177 61.300 -0.188 0.000 1.221 165 I CB 2.000 39.916 38.000 -0.140 0.000 1.366 165 I HN 0.685 nan 8.210 nan 0.000 0.467 166 G N 3.858 112.540 108.800 -0.197 0.000 2.537 166 G HA2 0.734 4.695 3.960 0.000 0.000 0.308 166 G HA3 0.734 4.695 3.960 0.000 0.000 0.308 166 G C -1.382 173.468 174.900 -0.082 0.000 1.237 166 G CA -0.450 44.540 45.100 -0.184 0.000 0.968 166 G HN 0.677 nan 8.290 nan 0.000 0.481 167 E N -0.701 119.482 120.200 -0.028 0.000 2.359 167 E HA 0.712 5.062 4.350 0.000 0.000 0.266 167 E C -1.296 175.341 176.600 0.061 0.000 0.920 167 E CA -0.996 55.384 56.400 -0.033 0.000 0.788 167 E CB 2.492 32.126 29.700 -0.111 0.000 1.279 167 E HN 0.770 nan 8.360 nan 0.000 0.438 168 H N -0.571 118.338 119.070 -0.268 0.000 3.005 168 H HA 0.200 4.756 4.556 0.000 0.000 0.311 168 H C -2.048 173.031 175.328 -0.414 0.000 1.366 168 H CA -1.134 54.770 56.048 -0.240 0.000 1.210 168 H CB -0.120 29.600 29.762 -0.070 0.000 1.894 168 H HN 0.651 nan 8.280 nan 0.000 0.520 169 W N 1.308 122.548 121.300 -0.100 0.000 2.376 169 W HA 0.705 5.365 4.660 0.000 0.000 0.322 169 W C 0.044 176.458 176.519 -0.175 0.000 1.160 169 W CA 0.189 57.428 57.345 -0.177 0.000 1.218 169 W CB 1.702 31.106 29.460 -0.093 0.000 1.205 169 W HN 0.871 nan 8.180 nan 0.000 0.559 170 A N 2.372 125.211 122.820 0.033 0.000 2.593 170 A HA 0.555 4.875 4.320 0.000 0.000 0.290 170 A C -1.129 176.489 177.584 0.057 0.000 1.126 170 A CA -1.191 50.864 52.037 0.030 0.000 0.695 170 A CB 1.379 20.355 19.000 -0.040 0.000 1.290 170 A HN 0.559 nan 8.150 nan 0.000 0.414 171 K N 0.863 121.290 120.400 0.045 0.000 2.447 171 K HA 0.319 4.639 4.320 0.000 0.000 0.281 171 K C 0.603 177.221 176.600 0.030 0.000 1.031 171 K CA 0.531 56.840 56.287 0.037 0.000 1.019 171 K CB 0.180 32.697 32.500 0.029 0.000 0.918 171 K HN 0.892 nan 8.250 nan 0.000 0.476 172 G N 2.636 111.456 108.800 0.034 0.000 2.569 172 G HA2 0.041 4.001 3.960 0.000 0.000 0.249 172 G HA3 0.041 4.001 3.960 0.000 0.000 0.249 172 G C -0.572 174.337 174.900 0.016 0.000 1.216 172 G CA -0.597 44.519 45.100 0.027 0.000 0.845 172 G HN 0.659 nan 8.290 nan 0.000 0.568 173 T N 1.270 115.830 114.554 0.011 0.000 2.793 173 T HA 0.348 4.698 4.350 0.000 0.000 0.289 173 T C 0.901 175.605 174.700 0.007 0.000 0.956 173 T CA 0.379 62.483 62.100 0.007 0.000 1.177 173 T CB 0.610 69.480 68.868 0.004 0.000 0.897 173 T HN 0.818 nan 8.240 nan 0.000 0.533 174 A N 4.691 127.515 122.820 0.007 0.000 2.505 174 A HA 0.381 4.701 4.320 0.000 0.000 0.271 174 A C 1.043 178.630 177.584 0.004 0.000 1.112 174 A CA -0.635 51.405 52.037 0.005 0.000 0.781 174 A CB -0.317 18.686 19.000 0.004 0.000 1.059 174 A HN 0.920 nan 8.150 nan 0.000 0.508 175 S N 2.649 118.351 115.700 0.004 0.000 2.562 175 S HA 0.141 4.611 4.470 0.000 0.000 0.281 175 S C 1.041 175.642 174.600 0.002 0.000 1.333 175 S CA 0.076 58.278 58.200 0.003 0.000 1.052 175 S CB 0.873 64.075 63.200 0.003 0.000 0.884 175 S HN 0.785 nan 8.310 nan 0.000 0.506 176 K N 2.174 122.575 120.400 0.001 0.000 2.148 176 K HA -0.119 4.201 4.320 0.000 0.000 0.204 176 K C 2.116 178.716 176.600 0.000 0.000 1.050 176 K CA 1.456 57.743 56.287 0.000 0.000 0.942 176 K CB -0.712 31.788 32.500 0.000 0.000 0.724 176 K HN 0.716 nan 8.250 nan 0.000 0.446 177 S N 0.903 116.603 115.700 0.000 0.000 2.351 177 S HA -0.128 4.342 4.470 0.000 0.000 0.220 177 S C 1.372 175.972 174.600 0.000 0.000 1.035 177 S CA 0.505 58.705 58.200 0.000 0.000 1.031 177 S CB -0.249 62.951 63.200 0.001 0.000 0.928 177 S HN 0.187 nan 8.310 nan 0.000 0.433 178 R N 2.878 123.378 120.500 0.000 0.000 2.363 178 R HA 0.435 4.775 4.340 0.000 0.000 0.297 178 R C -2.869 173.431 176.300 -0.000 0.000 1.208 178 R CA -2.358 53.742 56.100 -0.000 0.000 1.121 178 R CB 0.820 31.120 30.300 0.000 0.000 1.124 178 R HN 0.403 nan 8.270 nan 0.000 0.561 179 P HA -0.026 nan 4.420 nan 0.000 0.270 179 P C -0.469 176.831 177.300 -0.001 0.000 1.227 179 P CA -0.511 62.589 63.100 -0.000 0.000 0.788 179 P CB 0.970 32.670 31.700 -0.001 0.000 0.926 180 L N 2.005 123.228 121.223 -0.001 0.000 2.272 180 L HA 0.173 4.513 4.340 0.000 0.000 0.284 180 L C 0.411 177.279 176.870 -0.002 0.000 1.045 180 L CA -0.113 54.727 54.840 -0.001 0.000 0.842 180 L CB -0.074 41.985 42.059 -0.000 0.000 1.224 180 L HN 0.405 nan 8.230 nan 0.000 0.430 181 S N 2.462 118.160 115.700 -0.003 0.000 2.558 181 S HA 0.093 4.563 4.470 0.000 0.000 0.293 181 S C 0.194 174.792 174.600 -0.005 0.000 1.292 181 S CA -0.522 57.676 58.200 -0.004 0.000 1.063 181 S CB 0.372 63.569 63.200 -0.004 0.000 0.831 181 S HN 0.601 nan 8.310 nan 0.000 0.499 182 Q N 1.713 121.510 119.800 -0.005 0.000 2.286 182 Q HA 0.400 4.741 4.340 0.000 0.000 0.290 182 Q C 1.332 177.327 176.000 -0.008 0.000 1.049 182 Q CA 1.736 57.536 55.803 -0.006 0.000 0.923 182 Q CB -0.096 28.638 28.738 -0.006 0.000 1.183 182 Q HN 1.267 nan 8.270 nan 0.000 0.383 183 G N 3.285 112.080 108.800 -0.008 0.000 2.397 183 G HA2 -0.245 3.715 3.960 0.000 0.000 0.211 183 G HA3 -0.245 3.715 3.960 0.000 0.000 0.211 183 G C -0.115 174.778 174.900 -0.011 0.000 1.077 183 G CA -0.089 45.004 45.100 -0.011 0.000 0.649 183 G HN 0.659 nan 8.290 nan 0.000 0.511 184 D N 0.430 120.824 120.400 -0.010 0.000 2.362 184 D HA 0.420 5.060 4.640 0.000 0.000 0.238 184 D C 0.921 177.214 176.300 -0.011 0.000 1.212 184 D CA 0.588 54.581 54.000 -0.010 0.000 0.902 184 D CB 0.867 41.662 40.800 -0.008 0.000 1.180 184 D HN 0.591 nan 8.370 nan 0.000 0.445 185 C N 3.191 122.483 119.300 -0.014 0.000 2.585 185 C HA 0.435 4.895 4.460 0.000 0.000 0.406 185 C C -1.909 173.073 174.990 -0.013 0.000 1.312 185 C CA -1.330 57.679 59.018 -0.016 0.000 1.924 185 C CB -0.511 27.215 27.740 -0.023 0.000 2.578 185 C HN 0.455 nan 8.230 nan 0.000 0.580 186 P HA 0.423 nan 4.420 nan 0.000 0.276 186 P C -2.818 174.478 177.300 -0.006 0.000 1.261 186 P CA -1.034 62.064 63.100 -0.003 0.000 0.800 186 P CB 0.229 31.931 31.700 0.003 0.000 1.066 187 P HA 0.272 nan 4.420 nan 0.000 0.292 187 P C -0.768 176.551 177.300 0.032 0.000 1.283 187 P CA -0.336 62.769 63.100 0.008 0.000 0.835 187 P CB 0.878 32.587 31.700 0.015 0.000 1.017 188 L N 2.173 123.418 121.223 0.037 0.000 2.312 188 L HA 0.444 4.784 4.340 0.000 0.000 0.281 188 L C 0.739 177.775 176.870 0.278 0.000 1.070 188 L CA -0.013 54.907 54.840 0.133 0.000 0.805 188 L CB 0.488 42.538 42.059 -0.014 0.000 1.174 188 L HN 0.583 nan 8.230 nan 0.000 0.434 189 E N 2.593 122.975 120.200 0.303 0.000 2.224 189 E HA 0.312 4.662 4.350 0.000 0.000 0.265 189 E C -1.321 175.249 176.600 -0.050 0.000 0.878 189 E CA -0.916 55.587 56.400 0.172 0.000 0.759 189 E CB 2.251 31.974 29.700 0.037 0.000 1.164 189 E HN 0.395 nan 8.360 nan 0.000 0.414 190 L N 4.248 125.267 121.223 -0.339 0.000 2.410 190 L HA 0.273 4.613 4.340 0.000 0.000 0.273 190 L C -0.764 175.803 176.870 -0.505 0.000 1.152 190 L CA 0.710 55.011 54.840 -0.898 0.000 0.855 190 L CB 0.358 41.862 42.059 -0.925 0.000 1.129 190 L HN 0.473 nan 8.230 nan 0.000 0.463 191 K N 4.034 124.089 120.400 -0.575 0.000 2.397 191 K HA 0.409 4.729 4.320 0.000 0.000 0.253 191 K C -0.977 175.483 176.600 -0.233 0.000 0.932 191 K CA -0.876 55.190 56.287 -0.368 0.000 0.795 191 K CB 1.348 33.611 32.500 -0.395 0.000 1.159 191 K HN 0.592 nan 8.250 nan 0.000 0.424 192 N N 1.053 119.673 118.700 -0.134 0.000 2.508 192 N HA 0.333 5.073 4.740 0.000 0.000 0.285 192 N C -0.452 175.039 175.510 -0.031 0.000 1.144 192 N CA 0.138 53.140 53.050 -0.079 0.000 0.978 192 N CB 1.894 40.334 38.487 -0.079 0.000 1.180 192 N HN 0.574 nan 8.380 nan 0.000 0.484 193 T N -0.993 113.541 114.554 -0.033 0.000 2.775 193 T HA 0.257 4.607 4.350 0.000 0.000 0.320 193 T C -1.302 173.352 174.700 -0.076 0.000 1.597 193 T CA -0.584 61.496 62.100 -0.033 0.000 1.022 193 T CB 0.519 69.387 68.868 0.000 0.000 1.485 193 T HN 0.018 nan 8.240 nan 0.000 0.494 194 V N 3.370 123.241 119.914 -0.071 0.000 2.686 194 V HA 0.397 4.517 4.120 0.000 0.000 0.295 194 V C 0.375 176.394 176.094 -0.125 0.000 1.055 194 V CA -0.468 61.779 62.300 -0.089 0.000 1.050 194 V CB 1.094 32.894 31.823 -0.037 0.000 0.984 194 V HN 0.697 nan 8.190 nan 0.000 0.482 195 L N 5.377 126.502 121.223 -0.163 0.000 2.312 195 L HA 0.339 4.679 4.340 0.000 0.000 0.287 195 L C 0.476 177.306 176.870 -0.067 0.000 1.091 195 L CA -0.026 54.668 54.840 -0.244 0.000 0.846 195 L CB 0.134 41.937 42.059 -0.427 0.000 1.219 195 L HN 0.725 nan 8.230 nan 0.000 0.439 196 E N 1.319 121.478 120.200 -0.068 0.000 2.280 196 E HA 0.166 4.517 4.350 0.000 0.000 0.264 196 E C -0.781 175.841 176.600 0.037 0.000 1.064 196 E CA -0.908 55.479 56.400 -0.023 0.000 0.900 196 E CB 1.097 30.692 29.700 -0.175 0.000 1.123 196 E HN 0.358 nan 8.360 nan 0.000 0.418 197 D N -0.581 119.872 120.400 0.087 0.000 2.425 197 D HA 0.220 4.861 4.640 0.000 0.000 0.247 197 D C 0.809 177.138 176.300 0.049 0.000 1.147 197 D CA 1.700 55.752 54.000 0.087 0.000 0.879 197 D CB 0.406 41.269 40.800 0.106 0.000 1.179 197 D HN 0.572 nan 8.370 nan 0.000 0.456 198 G N 3.429 112.282 108.800 0.088 0.000 2.284 198 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 198 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 198 G C 0.051 175.022 174.900 0.118 0.000 1.009 198 G CA -0.033 45.116 45.100 0.082 0.000 0.625 198 G HN 0.627 nan 8.290 nan 0.000 0.501 199 D N 2.009 122.487 120.400 0.130 0.000 2.423 199 D HA 0.389 5.029 4.640 0.000 0.000 0.238 199 D C 1.163 177.649 176.300 0.309 0.000 1.142 199 D CA 0.364 54.458 54.000 0.157 0.000 0.884 199 D CB 0.467 41.298 40.800 0.053 0.000 1.199 199 D HN 0.121 nan 8.370 nan 0.000 0.438 200 M N 1.301 121.052 119.600 0.252 0.000 2.274 200 M HA 0.200 4.681 4.480 0.000 0.000 0.344 200 M C 0.351 176.843 176.300 0.320 0.000 1.161 200 M CA -0.806 54.640 55.300 0.243 0.000 1.126 200 M CB 1.159 33.863 32.600 0.173 0.000 1.522 200 M HN 0.164 nan 8.290 nan 0.000 0.461 201 V N -0.807 119.212 119.914 0.176 0.000 3.262 201 V HA 0.469 4.590 4.120 0.000 0.000 0.313 201 V C -0.193 176.012 176.094 0.186 0.000 1.070 201 V CA -1.048 61.345 62.300 0.156 0.000 1.049 201 V CB 1.025 32.768 31.823 -0.134 0.000 1.157 201 V HN 0.851 nan 8.190 nan 0.000 0.454 202 D N 0.810 121.354 120.400 0.241 0.000 2.417 202 D HA 0.237 4.877 4.640 0.000 0.000 0.250 202 D C 1.107 177.456 176.300 0.082 0.000 1.166 202 D CA 0.703 54.815 54.000 0.187 0.000 0.881 202 D CB 1.277 42.172 40.800 0.158 0.000 1.164 202 D HN 0.949 nan 8.370 nan 0.000 0.467 203 T N 0.572 115.115 114.554 -0.019 0.000 3.054 203 T HA 0.380 4.730 4.350 0.000 0.000 0.255 203 T C 1.361 176.057 174.700 -0.007 0.000 1.035 203 T CA 0.137 62.104 62.100 -0.222 0.000 0.941 203 T CB 0.390 68.662 68.868 -0.994 0.000 1.026 203 T HN 0.685 nan 8.240 nan 0.000 0.533 204 G N 0.479 109.312 108.800 0.055 0.000 2.205 204 G HA2 -0.174 3.786 3.960 0.000 0.000 0.180 204 G HA3 -0.174 3.786 3.960 0.000 0.000 0.180 204 G C 0.141 174.980 174.900 -0.101 0.000 1.004 204 G CA -0.227 44.859 45.100 -0.022 0.000 0.670 204 G HN 0.497 nan 8.290 nan 0.000 0.496 205 Y N 1.275 121.652 120.300 0.128 0.000 2.636 205 Y HA 0.471 5.022 4.550 0.000 0.000 0.260 205 Y C 1.547 177.632 175.900 0.308 0.000 1.177 205 Y CA 0.638 58.868 58.100 0.216 0.000 1.209 205 Y CB 0.943 39.517 38.460 0.189 0.000 1.166 205 Y HN 1.038 nan 8.280 nan 0.000 0.531 206 G N 0.860 109.847 108.800 0.311 0.000 2.730 206 G HA2 0.061 4.021 3.960 0.000 0.000 0.686 206 G HA3 0.061 4.021 3.960 0.000 0.000 0.686 206 G C -0.605 174.483 174.900 0.313 0.000 1.343 206 G CA -0.653 44.599 45.100 0.254 0.000 0.826 206 G HN 0.555 nan 8.290 nan 0.000 0.582 207 A N 1.325 124.300 122.820 0.260 0.000 2.444 207 A HA 0.813 5.134 4.320 0.000 0.000 0.332 207 A C 0.502 178.227 177.584 0.235 0.000 1.430 207 A CA 0.866 53.064 52.037 0.270 0.000 0.975 207 A CB -0.482 18.684 19.000 0.276 0.000 1.147 207 A HN 2.006 nan 8.150 nan 0.000 0.524 208 M N -0.088 119.517 119.600 0.009 0.000 2.813 208 M HA 0.539 5.019 4.480 0.000 0.000 0.270 208 M C -1.449 174.686 176.300 -0.275 0.000 1.267 208 M CA -0.862 54.381 55.300 -0.096 0.000 0.822 208 M CB 1.451 33.905 32.600 -0.244 0.000 1.671 208 M HN 0.193 nan 8.290 nan 0.000 0.468 209 D N 0.892 121.246 120.400 -0.076 0.000 2.522 209 D HA 0.325 4.965 4.640 0.000 0.000 0.218 209 D C 0.050 176.298 176.300 -0.086 0.000 1.149 209 D CA -0.210 53.784 54.000 -0.011 0.000 0.981 209 D CB -0.310 40.567 40.800 0.129 0.000 1.041 209 D HN 0.549 nan 8.370 nan 0.000 0.518 210 F N 0.968 120.976 119.950 0.098 0.000 2.287 210 F HA -0.208 4.319 4.527 0.000 0.000 0.301 210 F C 2.680 178.511 175.800 0.051 0.000 1.069 210 F CA 1.028 59.068 58.000 0.066 0.000 1.372 210 F CB -0.360 38.668 39.000 0.046 0.000 1.056 210 F HN 0.341 nan 8.300 nan 0.000 0.523 211 S N -1.065 114.755 115.700 0.200 0.000 2.428 211 S HA -0.132 4.339 4.470 0.000 0.000 0.230 211 S C 1.797 176.450 174.600 0.087 0.000 1.014 211 S CA 1.255 59.533 58.200 0.130 0.000 0.957 211 S CB -0.926 62.337 63.200 0.106 0.000 0.784 211 S HN 0.456 nan 8.310 nan 0.000 0.499 212 T N -2.308 112.290 114.554 0.073 0.000 3.010 212 T HA 0.415 4.765 4.350 0.000 0.000 0.257 212 T C 1.072 175.794 174.700 0.038 0.000 1.020 212 T CA -0.242 61.888 62.100 0.051 0.000 0.938 212 T CB 0.068 68.965 68.868 0.049 0.000 1.049 212 T HN 0.219 nan 8.240 nan 0.000 0.522 213 L N 0.435 121.680 121.223 0.035 0.000 2.672 213 L HA 0.487 4.827 4.340 0.000 0.000 0.236 213 L C 0.379 177.269 176.870 0.034 0.000 1.092 213 L CA 0.570 55.422 54.840 0.019 0.000 0.887 213 L CB 0.241 42.291 42.059 -0.016 0.000 1.168 213 L HN 0.312 nan 8.230 nan 0.000 0.502 214 Q N -0.596 119.243 119.800 0.065 0.000 2.347 214 Q HA 0.197 4.537 4.340 0.000 0.000 0.265 214 Q C -0.325 175.703 176.000 0.047 0.000 1.024 214 Q CA -0.274 55.568 55.803 0.065 0.000 0.731 214 Q CB 1.578 30.388 28.738 0.119 0.000 1.245 214 Q HN -0.013 nan 8.270 nan 0.000 0.472 215 D N 0.401 120.813 120.400 0.020 0.000 2.277 215 D HA -0.090 4.551 4.640 0.000 0.000 0.208 215 D C 1.253 177.553 176.300 -0.000 0.000 0.962 215 D CA 1.081 55.087 54.000 0.011 0.000 0.865 215 D CB 0.440 41.240 40.800 -0.001 0.000 0.939 215 D HN 0.441 nan 8.370 nan 0.000 0.510 216 T N 0.438 114.983 114.554 -0.015 0.000 2.746 216 T HA -0.127 4.224 4.350 0.000 0.000 0.267 216 T C 0.849 175.533 174.700 -0.027 0.000 1.039 216 T CA 0.828 62.904 62.100 -0.042 0.000 1.142 216 T CB -0.125 68.695 68.868 -0.080 0.000 0.866 216 T HN 0.155 nan 8.240 nan 0.000 0.444 217 K N -0.856 119.544 120.400 -0.001 0.000 3.117 217 K HA -0.156 4.165 4.320 0.000 0.000 0.269 217 K C -0.247 176.360 176.600 0.011 0.000 1.098 217 K CA 0.396 56.709 56.287 0.043 0.000 0.785 217 K CB -2.204 30.339 32.500 0.072 0.000 1.242 217 K HN 0.459 nan 8.250 nan 0.000 0.491 218 C N -0.609 118.604 119.300 -0.145 0.000 3.774 218 C HA 0.119 4.579 4.460 0.000 0.000 0.290 218 C C 1.261 175.966 174.990 -0.475 0.000 2.291 218 C CA -0.712 58.058 59.018 -0.413 0.000 1.609 218 C CB 0.191 27.714 27.740 -0.361 0.000 3.321 218 C HN 0.359 nan 8.230 nan 0.000 0.449 219 E N 1.403 121.406 120.200 -0.328 0.000 2.415 219 E HA 0.144 4.494 4.350 0.000 0.000 0.197 219 E C 0.713 177.065 176.600 -0.414 0.000 1.007 219 E CA 0.831 57.004 56.400 -0.378 0.000 0.890 219 E CB 0.663 30.285 29.700 -0.130 0.000 0.891 219 E HN 0.641 nan 8.360 nan 0.000 0.496 220 V N -2.508 117.203 119.914 -0.339 0.000 3.159 220 V HA 0.558 4.679 4.120 0.000 0.000 0.308 220 V C -2.932 173.089 176.094 -0.121 0.000 1.190 220 V CA -3.064 58.974 62.300 -0.437 0.000 1.037 220 V CB 1.765 33.064 31.823 -0.874 0.000 1.060 220 V HN -0.289 nan 8.190 nan 0.000 0.437 221 P HA 0.070 nan 4.420 nan 0.000 0.269 221 P C 0.740 178.044 177.300 0.007 0.000 1.205 221 P CA 0.033 63.143 63.100 0.017 0.000 0.780 221 P CB 0.370 32.081 31.700 0.018 0.000 0.858 222 L N 2.496 123.672 121.223 -0.079 0.000 2.043 222 L HA -0.227 4.113 4.340 0.000 0.000 0.212 222 L C 1.612 178.500 176.870 0.029 0.000 1.075 222 L CA 2.268 57.040 54.840 -0.114 0.000 0.752 222 L CB -1.431 40.479 42.059 -0.250 0.000 0.891 222 L HN 0.476 nan 8.230 nan 0.000 0.432 223 D N -1.260 119.183 120.400 0.071 0.000 2.312 223 D HA -0.164 4.476 4.640 0.000 0.000 0.211 223 D C 1.620 177.988 176.300 0.113 0.000 0.964 223 D CA 1.383 55.491 54.000 0.180 0.000 0.877 223 D CB -0.375 40.607 40.800 0.304 0.000 0.924 223 D HN 0.589 nan 8.370 nan 0.000 0.515 224 I N -3.375 117.201 120.570 0.011 0.000 4.154 224 I HA 0.304 4.474 4.170 0.000 0.000 0.334 224 I C 1.724 177.770 176.117 -0.119 0.000 1.371 224 I CA -0.755 60.501 61.300 -0.073 0.000 1.110 224 I CB 0.049 37.896 38.000 -0.255 0.000 1.085 224 I HN 0.055 nan 8.210 nan 0.000 0.398 225 C N 1.753 121.018 119.300 -0.057 0.000 2.385 225 C HA -0.187 4.273 4.460 0.000 0.000 0.275 225 C C 2.423 177.451 174.990 0.063 0.000 1.207 225 C CA 1.895 60.904 59.018 -0.014 0.000 1.760 225 C CB -0.596 27.180 27.740 0.060 0.000 2.051 225 C HN 0.701 nan 8.230 nan 0.000 0.467 226 Q N 0.095 119.950 119.800 0.091 0.000 2.164 226 Q HA 0.253 4.593 4.340 0.000 0.000 0.226 226 Q C 0.942 177.028 176.000 0.143 0.000 0.813 226 Q CA 0.090 55.967 55.803 0.123 0.000 0.978 226 Q CB 0.682 29.473 28.738 0.089 0.000 1.149 226 Q HN 0.673 nan 8.270 nan 0.000 0.489 227 S N 0.568 116.358 115.700 0.150 0.000 2.607 227 S HA 0.510 4.980 4.470 0.000 0.000 0.272 227 S C 0.371 175.090 174.600 0.197 0.000 1.166 227 S CA -0.408 57.879 58.200 0.145 0.000 1.021 227 S CB 0.685 63.962 63.200 0.128 0.000 1.113 227 S HN 0.098 nan 8.310 nan 0.000 0.531 228 I N 0.368 121.016 120.570 0.130 0.000 2.436 228 I HA 0.305 4.475 4.170 0.000 0.000 0.289 228 I C -1.032 175.150 176.117 0.108 0.000 1.010 228 I CA -0.232 61.118 61.300 0.083 0.000 1.098 228 I CB 1.337 39.264 38.000 -0.122 0.000 1.266 228 I HN 0.491 nan 8.210 nan 0.000 0.434 229 C N 5.968 125.395 119.300 0.211 0.000 2.285 229 C HA 0.463 4.923 4.460 0.000 0.000 0.335 229 C C 0.353 175.462 174.990 0.198 0.000 1.267 229 C CA -0.843 58.327 59.018 0.253 0.000 1.762 229 C CB -0.362 27.608 27.740 0.384 0.000 2.365 229 C HN 0.671 nan 8.230 nan 0.000 0.527 230 K N 1.856 122.387 120.400 0.218 0.000 2.166 230 K HA 0.566 4.886 4.320 0.000 0.000 0.245 230 K C -1.312 175.511 176.600 0.371 0.000 0.967 230 K CA -0.598 55.798 56.287 0.182 0.000 0.863 230 K CB 1.857 34.338 32.500 -0.032 0.000 1.107 230 K HN 0.614 nan 8.250 nan 0.000 0.436 231 Y N 1.480 121.862 120.300 0.135 0.000 2.391 231 Y HA 0.302 4.852 4.550 0.000 0.000 0.341 231 Y C -2.659 173.251 175.900 0.016 0.000 0.965 231 Y CA -2.605 55.596 58.100 0.167 0.000 1.067 231 Y CB 1.607 40.169 38.460 0.170 0.000 1.199 231 Y HN 0.405 nan 8.280 nan 0.000 0.450 232 P HA -0.076 nan 4.420 nan 0.000 0.263 232 P C -0.605 176.293 177.300 -0.669 0.000 1.175 232 P CA 0.593 63.249 63.100 -0.741 0.000 0.761 232 P CB 0.520 31.481 31.700 -1.233 0.000 0.794 233 D N 2.621 122.775 120.400 -0.410 0.000 2.639 233 D HA 0.049 4.689 4.640 0.000 0.000 0.233 233 D C 0.614 176.821 176.300 -0.154 0.000 1.161 233 D CA -0.252 53.637 54.000 -0.186 0.000 1.003 233 D CB -0.395 40.337 40.800 -0.114 0.000 1.034 233 D HN 0.289 nan 8.370 nan 0.000 0.514 234 Y N 0.657 120.909 120.300 -0.079 0.000 2.193 234 Y HA -0.237 4.313 4.550 0.000 0.000 0.285 234 Y C 2.314 178.202 175.900 -0.020 0.000 1.166 234 Y CA 0.873 58.940 58.100 -0.055 0.000 1.181 234 Y CB -0.166 38.264 38.460 -0.049 0.000 0.976 234 Y HN 0.288 nan 8.280 nan 0.000 0.520 235 L N -0.237 121.085 121.223 0.165 0.000 1.989 235 L HA -0.304 4.036 4.340 0.000 0.000 0.211 235 L C 2.679 179.581 176.870 0.054 0.000 1.071 235 L CA 2.070 56.969 54.840 0.100 0.000 0.749 235 L CB -0.645 41.468 42.059 0.090 0.000 0.890 235 L HN 0.282 nan 8.230 nan 0.000 0.431 236 Q N -0.131 119.684 119.800 0.025 0.000 2.167 236 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 236 Q C 2.215 178.215 176.000 -0.000 0.000 0.970 236 Q CA 1.518 57.322 55.803 0.002 0.000 0.855 236 Q CB -0.043 28.681 28.738 -0.023 0.000 0.911 236 Q HN 0.453 nan 8.270 nan 0.000 0.438 237 M N -0.353 119.242 119.600 -0.008 0.000 2.319 237 M HA -0.060 4.421 4.480 0.000 0.000 0.265 237 M C 1.927 178.243 176.300 0.027 0.000 1.068 237 M CA 1.041 56.336 55.300 -0.008 0.000 1.118 237 M CB 0.224 32.797 32.600 -0.045 0.000 1.395 237 M HN 0.171 nan 8.290 nan 0.000 0.435 238 S N 0.480 116.205 115.700 0.042 0.000 2.446 238 S HA 0.085 4.555 4.470 0.000 0.000 0.225 238 S C 1.955 176.573 174.600 0.029 0.000 1.016 238 S CA 0.934 59.161 58.200 0.043 0.000 0.943 238 S CB -0.052 63.178 63.200 0.051 0.000 0.786 238 S HN 0.527 nan 8.310 nan 0.000 0.508 239 A N 1.197 124.034 122.820 0.027 0.000 2.123 239 A HA 0.107 4.427 4.320 0.000 0.000 0.214 239 A C 0.728 178.324 177.584 0.021 0.000 1.152 239 A CA 0.063 52.112 52.037 0.021 0.000 0.728 239 A CB -0.371 18.640 19.000 0.018 0.000 0.814 239 A HN 0.414 nan 8.150 nan 0.000 0.464 240 D N 0.665 121.083 120.400 0.029 0.000 2.533 240 D HA 0.047 4.687 4.640 0.000 0.000 0.236 240 D C -0.594 175.736 176.300 0.049 0.000 1.137 240 D CA -0.762 53.263 54.000 0.041 0.000 0.867 240 D CB 0.921 41.759 40.800 0.063 0.000 1.170 240 D HN 0.141 nan 8.370 nan 0.000 0.474 241 P HA -0.225 nan 4.420 nan 0.000 0.213 241 P C 0.982 178.275 177.300 -0.011 0.000 1.170 241 P CA 1.581 64.632 63.100 -0.082 0.000 0.898 241 P CB -0.083 31.443 31.700 -0.290 0.000 0.787 242 Y N -0.257 120.149 120.300 0.178 0.000 2.243 242 Y HA 0.187 4.737 4.550 0.000 0.000 0.293 242 Y C 1.862 177.928 175.900 0.277 0.000 1.124 242 Y CA 0.951 59.192 58.100 0.235 0.000 1.159 242 Y CB -0.778 37.780 38.460 0.165 0.000 1.008 242 Y HN 0.091 nan 8.280 nan 0.000 0.527 243 G N 0.748 109.755 108.800 0.346 0.000 2.291 243 G HA2 -0.225 3.735 3.960 0.000 0.000 0.271 243 G HA3 -0.225 3.735 3.960 0.000 0.000 0.271 243 G C -0.046 175.034 174.900 0.299 0.000 1.099 243 G CA 0.394 45.653 45.100 0.266 0.000 0.919 243 G HN 0.374 nan 8.290 nan 0.000 0.496 244 D N -0.160 120.399 120.400 0.265 0.000 2.367 244 D HA 0.091 4.732 4.640 0.000 0.000 0.207 244 D C 2.317 178.633 176.300 0.028 0.000 1.034 244 D CA 0.870 55.019 54.000 0.247 0.000 0.861 244 D CB 0.154 41.121 40.800 0.279 0.000 0.943 244 D HN 0.388 nan 8.370 nan 0.000 0.515 245 S N 0.589 116.287 115.700 -0.003 0.000 2.368 245 S HA -0.074 4.397 4.470 0.000 0.000 0.225 245 S C 1.121 175.617 174.600 -0.173 0.000 1.030 245 S CA 0.820 58.955 58.200 -0.109 0.000 0.999 245 S CB -0.088 63.070 63.200 -0.070 0.000 0.844 245 S HN 0.428 nan 8.310 nan 0.000 0.459 246 M N -0.457 119.066 119.600 -0.129 0.000 2.310 246 M HA 0.436 4.916 4.480 0.000 0.000 0.242 246 M C -1.253 175.045 176.300 -0.003 0.000 1.000 246 M CA -0.678 54.528 55.300 -0.157 0.000 0.970 246 M CB 0.802 33.368 32.600 -0.055 0.000 2.191 246 M HN 0.014 nan 8.290 nan 0.000 0.470 247 F N 1.206 121.258 119.950 0.171 0.000 2.708 247 F HA 0.759 5.286 4.527 0.000 0.000 0.300 247 F C -1.030 174.937 175.800 0.279 0.000 1.118 247 F CA -1.372 56.736 58.000 0.181 0.000 1.307 247 F CB -0.030 39.066 39.000 0.161 0.000 0.986 247 F HN 0.512 nan 8.300 nan 0.000 0.522 248 F N 1.303 121.408 119.950 0.259 0.000 2.652 248 F HA 0.506 5.033 4.527 0.000 0.000 0.320 248 F C -1.890 173.969 175.800 0.099 0.000 1.115 248 F CA -1.635 56.484 58.000 0.198 0.000 1.053 248 F CB 0.936 40.094 39.000 0.264 0.000 1.297 248 F HN 0.137 nan 8.300 nan 0.000 0.471 249 C N 7.880 126.866 119.300 -0.525 0.000 2.752 249 C HA 0.866 5.326 4.460 0.000 0.000 0.360 249 C C -2.308 172.397 174.990 -0.475 0.000 1.081 249 C CA -0.542 58.278 59.018 -0.331 0.000 1.272 249 C CB 0.318 28.025 27.740 -0.055 0.000 1.754 249 C HN 0.770 nan 8.230 nan 0.000 0.483 250 L N 6.469 127.473 121.223 -0.365 0.000 2.409 250 L HA 0.795 5.135 4.340 0.000 0.000 0.272 250 L C -0.036 176.747 176.870 -0.145 0.000 0.980 250 L CA -0.088 54.553 54.840 -0.333 0.000 0.826 250 L CB 1.810 43.596 42.059 -0.454 0.000 1.268 250 L HN 0.887 nan 8.230 nan 0.000 0.407 251 R N 2.244 122.666 120.500 -0.130 0.000 2.771 251 R HA 0.954 5.294 4.340 0.000 0.000 0.274 251 R C -1.028 175.236 176.300 -0.059 0.000 0.987 251 R CA -1.099 54.974 56.100 -0.046 0.000 0.908 251 R CB 2.290 32.567 30.300 -0.038 0.000 1.213 251 R HN 0.500 nan 8.270 nan 0.000 0.468 252 R N 1.461 121.957 120.500 -0.007 0.000 2.658 252 R HA 0.154 4.495 4.340 0.000 0.000 0.287 252 R C -1.628 174.700 176.300 0.047 0.000 1.209 252 R CA -0.324 55.774 56.100 -0.003 0.000 1.046 252 R CB 1.393 31.671 30.300 -0.037 0.000 1.247 252 R HN 0.986 nan 8.270 nan 0.000 0.405 253 E N 3.808 124.047 120.200 0.066 0.000 2.392 253 E HA 0.504 4.855 4.350 0.000 0.000 0.269 253 E C -1.423 175.225 176.600 0.081 0.000 0.924 253 E CA -1.084 55.374 56.400 0.096 0.000 0.784 253 E CB 2.664 32.445 29.700 0.135 0.000 1.292 253 E HN 0.595 nan 8.360 nan 0.000 0.447 254 Q N 0.642 120.499 119.800 0.096 0.000 2.666 254 Q HA 0.531 4.871 4.340 0.000 0.000 0.276 254 Q C -1.453 174.619 176.000 0.120 0.000 0.952 254 Q CA -1.126 54.734 55.803 0.095 0.000 0.850 254 Q CB 1.460 30.250 28.738 0.086 0.000 1.512 254 Q HN 0.621 nan 8.270 nan 0.000 0.395 255 L N -1.406 119.898 121.223 0.136 0.000 3.119 255 L HA 0.876 5.216 4.340 0.000 0.000 0.283 255 L C -1.769 175.252 176.870 0.251 0.000 1.028 255 L CA -0.786 54.149 54.840 0.159 0.000 0.975 255 L CB 0.572 42.674 42.059 0.073 0.000 1.543 255 L HN 1.143 nan 8.230 nan 0.000 0.390 256 F N -1.117 118.841 119.950 0.014 0.000 2.741 256 F HA 0.911 5.439 4.527 0.000 0.000 0.311 256 F C -0.964 174.839 175.800 0.004 0.000 1.149 256 F CA -0.592 57.411 58.000 0.005 0.000 0.930 256 F CB 1.079 40.078 39.000 -0.002 0.000 1.312 256 F HN 0.899 nan 8.300 nan 0.000 0.450 257 A N 2.551 125.453 122.820 0.137 0.000 2.310 257 A HA 0.581 4.901 4.320 0.000 0.000 0.300 257 A C 0.823 178.373 177.584 -0.056 0.000 1.269 257 A CA -0.361 51.697 52.037 0.035 0.000 0.909 257 A CB 0.674 19.843 19.000 0.282 0.000 1.144 257 A HN 0.932 nan 8.150 nan 0.000 0.540 258 R N 1.910 122.194 120.500 -0.360 0.000 2.048 258 R HA 0.086 4.426 4.340 0.000 0.000 0.224 258 R C -0.152 175.767 176.300 -0.634 0.000 1.163 258 R CA 1.568 57.433 56.100 -0.391 0.000 0.956 258 R CB -0.210 29.899 30.300 -0.318 0.000 0.849 258 R HN 0.829 nan 8.270 nan 0.000 0.435 259 H N -1.842 116.911 119.070 -0.528 0.000 2.747 259 H HA 0.390 4.946 4.556 0.000 0.000 0.371 259 H C -1.212 173.743 175.328 -0.621 0.000 1.161 259 H CA -0.607 54.957 56.048 -0.807 0.000 1.167 259 H CB 1.524 30.634 29.762 -1.087 0.000 1.732 259 H HN 0.031 nan 8.280 nan 0.000 0.544 260 F N 2.104 121.738 119.950 -0.526 0.000 2.411 260 F HA 0.293 4.820 4.527 0.000 0.000 0.352 260 F C -0.491 175.183 175.800 -0.209 0.000 1.123 260 F CA -0.776 57.040 58.000 -0.305 0.000 1.044 260 F CB 1.238 40.146 39.000 -0.153 0.000 1.135 260 F HN 0.214 nan 8.300 nan 0.000 0.461 261 W N 1.429 122.950 121.300 0.369 0.000 2.967 261 W HA 0.350 5.010 4.660 0.000 0.000 0.342 261 W C -0.712 175.973 176.519 0.278 0.000 1.162 261 W CA -1.081 56.439 57.345 0.293 0.000 1.085 261 W CB 1.341 30.962 29.460 0.268 0.000 1.460 261 W HN 0.407 nan 8.180 nan 0.000 0.584 262 N N 0.248 119.224 118.700 0.460 0.000 2.483 262 N HA 0.486 5.226 4.740 0.000 0.000 0.285 262 N C -0.838 174.734 175.510 0.104 0.000 1.210 262 N CA -0.640 52.527 53.050 0.194 0.000 0.931 262 N CB 1.291 39.856 38.487 0.130 0.000 1.220 262 N HN -0.034 nan 8.380 nan 0.000 0.542 263 R N 0.991 121.481 120.500 -0.016 0.000 2.480 263 R HA 0.422 4.763 4.340 0.000 0.000 0.306 263 R C -0.917 175.342 176.300 -0.068 0.000 0.958 263 R CA -0.613 55.459 56.100 -0.047 0.000 0.861 263 R CB 1.390 31.654 30.300 -0.059 0.000 1.171 263 R HN 0.599 nan 8.270 nan 0.000 0.445 264 A N 1.328 124.104 122.820 -0.073 0.000 2.407 264 A HA 0.667 4.987 4.320 0.000 0.000 0.248 264 A C 0.573 178.115 177.584 -0.070 0.000 1.082 264 A CA 0.773 52.770 52.037 -0.067 0.000 0.785 264 A CB 0.340 19.297 19.000 -0.070 0.000 1.020 264 A HN 0.872 nan 8.150 nan 0.000 0.489 265 G N -0.299 108.464 108.800 -0.061 0.000 2.381 265 G HA2 0.454 4.414 3.960 0.000 0.000 0.672 265 G HA3 0.454 4.414 3.960 0.000 0.000 0.672 265 G C -0.220 174.649 174.900 -0.053 0.000 1.324 265 G CA -0.061 45.005 45.100 -0.057 0.000 0.975 265 G HN 2.035 nan 8.290 nan 0.000 0.593 266 T N -0.858 113.669 114.554 -0.045 0.000 2.910 266 T HA 0.600 4.951 4.350 0.000 0.000 0.293 266 T C 0.859 175.532 174.700 -0.044 0.000 1.015 266 T CA -0.600 61.476 62.100 -0.041 0.000 1.094 266 T CB 0.988 69.837 68.868 -0.031 0.000 0.968 266 T HN 0.618 nan 8.240 nan 0.000 0.521 267 M N 3.370 122.943 119.600 -0.044 0.000 2.184 267 M HA 0.237 4.717 4.480 0.000 0.000 0.351 267 M C 1.652 177.933 176.300 -0.031 0.000 1.395 267 M CA -0.377 54.896 55.300 -0.045 0.000 1.117 267 M CB 0.280 32.852 32.600 -0.048 0.000 1.708 267 M HN 1.080 nan 8.290 nan 0.000 0.468 268 G N 3.415 112.197 108.800 -0.032 0.000 2.434 268 G HA2 -0.089 3.871 3.960 0.000 0.000 0.214 268 G HA3 -0.089 3.871 3.960 0.000 0.000 0.214 268 G C 0.278 175.167 174.900 -0.018 0.000 1.202 268 G CA 0.324 45.410 45.100 -0.024 0.000 0.788 268 G HN 0.619 nan 8.290 nan 0.000 0.539 269 D N 1.095 121.484 120.400 -0.019 0.000 2.264 269 D HA 0.342 4.982 4.640 0.000 0.000 0.250 269 D C -0.179 176.119 176.300 -0.004 0.000 1.113 269 D CA 0.211 54.205 54.000 -0.010 0.000 0.871 269 D CB 1.395 42.188 40.800 -0.012 0.000 1.167 269 D HN -0.015 nan 8.370 nan 0.000 0.447 270 T N 0.788 115.347 114.554 0.008 0.000 2.817 270 T HA 0.198 4.548 4.350 0.000 0.000 0.293 270 T C 0.675 175.403 174.700 0.047 0.000 0.964 270 T CA -0.742 61.372 62.100 0.023 0.000 1.085 270 T CB 1.113 69.998 68.868 0.029 0.000 0.921 270 T HN 0.031 nan 8.240 nan 0.000 0.502 271 V N 6.384 126.336 119.914 0.063 0.000 2.434 271 V HA 0.087 4.207 4.120 0.000 0.000 0.281 271 V C -1.797 174.420 176.094 0.205 0.000 1.005 271 V CA -1.377 60.992 62.300 0.115 0.000 1.089 271 V CB -0.683 31.190 31.823 0.084 0.000 0.978 271 V HN 0.749 nan 8.190 nan 0.000 0.474 272 P HA -0.013 nan 4.420 nan 0.000 0.260 272 P C 0.886 178.223 177.300 0.063 0.000 1.172 272 P CA 0.193 63.344 63.100 0.085 0.000 0.760 272 P CB 0.423 32.154 31.700 0.052 0.000 0.773 273 Q N 1.889 121.649 119.800 -0.067 0.000 2.181 273 Q HA -0.135 4.205 4.340 0.000 0.000 0.205 273 Q C 1.631 177.415 176.000 -0.360 0.000 0.980 273 Q CA 2.002 57.599 55.803 -0.345 0.000 0.862 273 Q CB -0.407 28.193 28.738 -0.230 0.000 0.905 273 Q HN 0.611 nan 8.270 nan 0.000 0.429 274 S N -0.573 115.034 115.700 -0.155 0.000 2.595 274 S HA 0.017 4.487 4.470 0.000 0.000 0.235 274 S C 1.536 176.099 174.600 -0.063 0.000 0.974 274 S CA 0.297 58.433 58.200 -0.105 0.000 0.942 274 S CB -0.161 63.008 63.200 -0.052 0.000 0.766 274 S HN 0.287 nan 8.310 nan 0.000 0.536 275 L N 0.160 121.364 121.223 -0.031 0.000 2.693 275 L HA 0.408 4.748 4.340 0.000 0.000 0.235 275 L C 0.052 177.048 176.870 0.211 0.000 1.127 275 L CA -0.383 54.517 54.840 0.101 0.000 0.914 275 L CB 0.029 42.191 42.059 0.171 0.000 1.193 275 L HN 0.608 nan 8.230 nan 0.000 0.502 276 Y N -3.181 117.125 120.300 0.011 0.000 2.750 276 Y HA 0.620 5.170 4.550 0.000 0.000 0.335 276 Y C -1.325 174.582 175.900 0.010 0.000 1.252 276 Y CA -1.736 56.372 58.100 0.013 0.000 1.064 276 Y CB 0.746 39.217 38.460 0.017 0.000 1.321 276 Y HN -0.290 nan 8.280 nan 0.000 0.451 277 I N 2.501 123.189 120.570 0.196 0.000 2.355 277 I HA 0.346 4.517 4.170 0.000 0.000 0.288 277 I C -0.144 176.094 176.117 0.201 0.000 0.999 277 I CA -1.530 59.820 61.300 0.084 0.000 1.163 277 I CB 1.275 39.314 38.000 0.064 0.000 1.316 277 I HN 0.536 nan 8.210 nan 0.000 0.454 278 K N 3.125 123.605 120.400 0.133 0.000 2.518 278 K HA 0.348 4.668 4.320 0.000 0.000 0.276 278 K C 0.630 177.301 176.600 0.119 0.000 0.974 278 K CA 0.215 56.614 56.287 0.187 0.000 0.986 278 K CB 0.538 33.100 32.500 0.105 0.000 0.901 278 K HN 0.885 nan 8.250 nan 0.000 0.497 279 G N 0.475 109.340 108.800 0.108 0.000 3.217 279 G HA2 0.509 4.469 3.960 0.000 0.000 0.213 279 G HA3 0.509 4.469 3.960 0.000 0.000 0.213 279 G C -0.766 174.165 174.900 0.052 0.000 1.294 279 G CA -0.436 44.704 45.100 0.067 0.000 0.987 279 G HN 0.608 nan 8.290 nan 0.000 0.584 280 T N -3.522 111.055 114.554 0.038 0.000 2.888 280 T HA 0.713 5.063 4.350 0.000 0.000 0.288 280 T C 0.890 175.605 174.700 0.025 0.000 1.063 280 T CA 0.508 62.626 62.100 0.030 0.000 1.010 280 T CB 1.238 70.121 68.868 0.024 0.000 1.214 280 T HN 2.323 nan 8.240 nan 0.000 0.533 281 G N 1.569 110.382 108.800 0.020 0.000 2.566 281 G HA2 -0.352 3.608 3.960 0.000 0.000 0.280 281 G HA3 -0.352 3.608 3.960 0.000 0.000 0.280 281 G C 0.989 175.899 174.900 0.016 0.000 1.225 281 G CA 1.090 46.200 45.100 0.017 0.000 0.966 281 G HN 1.557 nan 8.290 nan 0.000 0.560 282 M N -0.698 118.910 119.600 0.013 0.000 2.202 282 M HA 0.110 4.591 4.480 0.000 0.000 0.262 282 M C 2.193 178.498 176.300 0.009 0.000 1.063 282 M CA 2.442 57.748 55.300 0.010 0.000 1.097 282 M CB -0.245 32.361 32.600 0.010 0.000 1.382 282 M HN 0.390 nan 8.290 nan 0.000 0.413 283 R N 0.814 121.322 120.500 0.015 0.000 2.328 283 R HA 0.211 4.551 4.340 0.000 0.000 0.206 283 R C 2.007 178.325 176.300 0.029 0.000 0.990 283 R CA 0.364 56.474 56.100 0.016 0.000 1.085 283 R CB -0.204 30.110 30.300 0.023 0.000 0.998 283 R HN 0.603 nan 8.270 nan 0.000 0.484 284 A N 0.147 122.986 122.820 0.031 0.000 1.872 284 A HA -0.025 4.296 4.320 0.000 0.000 0.214 284 A C 1.165 178.788 177.584 0.065 0.000 1.187 284 A CA 0.931 52.997 52.037 0.049 0.000 0.614 284 A CB 0.108 19.130 19.000 0.037 0.000 0.826 284 A HN 0.214 nan 8.150 nan 0.000 0.442 285 S N 0.429 116.147 115.700 0.031 0.000 2.501 285 S HA 0.552 5.022 4.470 0.000 0.000 0.301 285 S C -2.786 171.778 174.600 -0.060 0.000 1.096 285 S CA -1.798 56.411 58.200 0.016 0.000 1.063 285 S CB 1.070 64.280 63.200 0.017 0.000 1.042 285 S HN 0.274 nan 8.310 nan 0.000 0.494 286 P HA 0.228 nan 4.420 nan 0.000 0.268 286 P C 0.488 177.714 177.300 -0.125 0.000 1.205 286 P CA -0.159 62.800 63.100 -0.235 0.000 0.771 286 P CB 0.338 31.782 31.700 -0.427 0.000 0.858 287 G N 1.367 110.107 108.800 -0.100 0.000 2.666 287 G HA2 0.188 4.149 3.960 0.000 0.000 0.207 287 G HA3 0.188 4.149 3.960 0.000 0.000 0.207 287 G C -0.281 174.563 174.900 -0.094 0.000 1.481 287 G CA -0.424 44.634 45.100 -0.070 0.000 1.071 287 G HN 0.593 nan 8.290 nan 0.000 0.572 288 S N -1.840 113.799 115.700 -0.102 0.000 2.531 288 S HA 0.219 4.689 4.470 0.000 0.000 0.279 288 S C 0.301 174.724 174.600 -0.296 0.000 1.305 288 S CA -0.638 57.464 58.200 -0.165 0.000 1.058 288 S CB 0.059 63.168 63.200 -0.152 0.000 0.899 288 S HN 0.506 nan 8.310 nan 0.000 0.493 289 C N 5.191 124.293 119.300 -0.329 0.000 2.741 289 C HA 0.373 4.833 4.460 0.000 0.000 0.267 289 C C -0.320 174.355 174.990 -0.525 0.000 1.549 289 C CA -0.699 58.044 59.018 -0.457 0.000 1.772 289 C CB -1.224 26.432 27.740 -0.139 0.000 2.962 289 C HN 0.640 nan 8.230 nan 0.000 0.514 290 V N 1.738 121.326 119.914 -0.544 0.000 2.293 290 V HA 0.369 4.489 4.120 0.000 0.000 0.275 290 V C -0.727 175.169 176.094 -0.329 0.000 1.021 290 V CA -0.354 61.766 62.300 -0.300 0.000 0.815 290 V CB -0.205 31.526 31.823 -0.152 0.000 1.025 290 V HN 0.445 nan 8.190 nan 0.000 0.448 291 Y N 2.184 122.504 120.300 0.034 0.000 2.387 291 Y HA 0.709 5.260 4.550 0.000 0.000 0.330 291 Y C 0.693 176.635 175.900 0.071 0.000 1.133 291 Y CA -0.622 57.513 58.100 0.059 0.000 1.152 291 Y CB 2.134 40.596 38.460 0.003 0.000 1.215 291 Y HN 0.635 nan 8.280 nan 0.000 0.466 292 S N 2.387 118.263 115.700 0.294 0.000 2.603 292 S HA 0.547 5.017 4.470 0.000 0.000 0.274 292 S C -3.377 171.382 174.600 0.264 0.000 1.168 292 S CA -1.435 56.908 58.200 0.239 0.000 0.963 292 S CB 2.255 65.624 63.200 0.283 0.000 1.078 292 S HN 0.390 nan 8.310 nan 0.000 0.477 293 P HA 0.414 nan 4.420 nan 0.000 0.287 293 P C -0.393 176.906 177.300 -0.002 0.000 1.270 293 P CA -0.497 62.644 63.100 0.069 0.000 0.844 293 P CB 1.484 33.197 31.700 0.022 0.000 1.068 294 S N 2.679 118.335 115.700 -0.074 0.000 2.499 294 S HA 0.394 4.865 4.470 0.000 0.000 0.275 294 S C -1.928 172.569 174.600 -0.172 0.000 1.257 294 S CA -1.191 56.982 58.200 -0.045 0.000 1.050 294 S CB 0.053 63.229 63.200 -0.041 0.000 0.937 294 S HN 0.355 nan 8.310 nan 0.000 0.490 295 P HA 0.337 nan 4.420 nan 0.000 0.275 295 P C -0.469 176.681 177.300 -0.249 0.000 1.270 295 P CA -0.464 62.512 63.100 -0.206 0.000 0.791 295 P CB 0.808 32.428 31.700 -0.133 0.000 1.089 296 S N -1.300 114.220 115.700 -0.300 0.000 2.581 296 S HA 0.462 4.933 4.470 0.000 0.000 0.306 296 S C -0.715 173.769 174.600 -0.193 0.000 1.080 296 S CA -0.609 57.379 58.200 -0.354 0.000 0.925 296 S CB -0.324 62.399 63.200 -0.794 0.000 1.128 296 S HN 0.683 nan 8.310 nan 0.000 0.451 297 G N 2.811 111.628 108.800 0.028 0.000 2.339 297 G HA2 0.498 4.458 3.960 0.000 0.000 0.287 297 G HA3 0.498 4.458 3.960 0.000 0.000 0.287 297 G C 0.632 175.667 174.900 0.225 0.000 1.163 297 G CA 0.075 45.264 45.100 0.149 0.000 0.872 297 G HN 0.799 nan 8.290 nan 0.000 0.464 298 S N 1.659 117.552 115.700 0.322 0.000 2.183 298 S HA 0.114 4.584 4.470 0.000 0.000 0.189 298 S C 1.068 175.762 174.600 0.157 0.000 1.420 298 S CA -0.201 58.172 58.200 0.289 0.000 1.591 298 S CB -0.267 63.026 63.200 0.154 0.000 0.525 298 S HN 0.395 nan 8.310 nan 0.000 0.388 299 I N 1.100 121.726 120.570 0.093 0.000 2.618 299 I HA 0.177 4.348 4.170 0.000 0.000 0.284 299 I C -0.152 176.004 176.117 0.065 0.000 1.146 299 I CA 0.119 61.458 61.300 0.065 0.000 1.425 299 I CB 1.086 39.106 38.000 0.033 0.000 1.383 299 I HN 0.202 nan 8.210 nan 0.000 0.562 300 V N 6.938 126.889 119.914 0.063 0.000 2.347 300 V HA 0.495 4.615 4.120 0.000 0.000 0.280 300 V C -0.123 175.996 176.094 0.043 0.000 1.021 300 V CA 0.117 62.452 62.300 0.059 0.000 0.847 300 V CB 1.459 33.322 31.823 0.067 0.000 0.990 300 V HN 0.848 nan 8.190 nan 0.000 0.444 301 T N 3.194 117.769 114.554 0.035 0.000 2.924 301 T HA 0.406 4.756 4.350 0.000 0.000 0.291 301 T C 1.191 175.905 174.700 0.022 0.000 1.045 301 T CA 0.142 62.257 62.100 0.025 0.000 1.015 301 T CB 1.929 70.808 68.868 0.018 0.000 1.103 301 T HN 0.985 nan 8.240 nan 0.000 0.496 302 S N 1.592 117.302 115.700 0.017 0.000 2.436 302 S HA -0.044 4.426 4.470 0.000 0.000 0.228 302 S C 1.282 175.886 174.600 0.008 0.000 1.014 302 S CA 0.718 58.927 58.200 0.015 0.000 0.950 302 S CB -0.304 62.903 63.200 0.011 0.000 0.784 302 S HN 0.772 nan 8.310 nan 0.000 0.504 303 D N 2.619 123.022 120.400 0.006 0.000 2.182 303 D HA -0.072 4.569 4.640 0.000 0.000 0.201 303 D C 1.500 177.800 176.300 0.000 0.000 0.986 303 D CA 1.632 55.633 54.000 0.002 0.000 0.847 303 D CB -0.308 40.493 40.800 0.002 0.000 0.942 303 D HN 0.688 nan 8.370 nan 0.000 0.467 304 S N -0.201 115.500 115.700 0.002 0.000 2.561 304 S HA 0.179 4.649 4.470 0.000 0.000 0.245 304 S C 0.452 175.042 174.600 -0.016 0.000 1.001 304 S CA -0.654 57.544 58.200 -0.005 0.000 1.002 304 S CB 0.597 63.798 63.200 0.001 0.000 0.805 304 S HN -0.084 nan 8.310 nan 0.000 0.458 305 Q N 0.922 120.714 119.800 -0.013 0.000 2.373 305 Q HA 0.482 4.822 4.340 0.000 0.000 0.255 305 Q C 0.356 176.309 176.000 -0.078 0.000 0.980 305 Q CA -0.228 55.559 55.803 -0.026 0.000 0.882 305 Q CB 1.078 29.821 28.738 0.010 0.000 1.249 305 Q HN 0.390 nan 8.270 nan 0.000 0.438 306 L N 2.261 123.352 121.223 -0.220 0.000 2.664 306 L HA 0.428 4.768 4.340 0.000 0.000 0.233 306 L C -0.731 175.903 176.870 -0.393 0.000 1.113 306 L CA 0.350 54.974 54.840 -0.360 0.000 0.896 306 L CB 0.310 41.984 42.059 -0.641 0.000 1.163 306 L HN 0.618 nan 8.230 nan 0.000 0.497 307 F N -1.067 118.947 119.950 0.107 0.000 2.629 307 F HA 0.318 4.846 4.527 0.000 0.000 0.386 307 F C 1.432 177.222 175.800 -0.015 0.000 1.135 307 F CA -0.741 57.304 58.000 0.075 0.000 1.116 307 F CB 0.306 39.328 39.000 0.037 0.000 1.426 307 F HN -0.158 nan 8.300 nan 0.000 0.501 308 N N -0.767 118.043 118.700 0.184 0.000 2.815 308 N HA -0.230 4.510 4.740 0.000 0.000 0.247 308 N C -1.007 174.461 175.510 -0.070 0.000 1.030 308 N CA 0.801 53.863 53.050 0.019 0.000 0.881 308 N CB -0.752 37.747 38.487 0.020 0.000 1.134 308 N HN 0.384 nan 8.380 nan 0.000 0.582 309 K N 0.479 120.800 120.400 -0.131 0.000 2.259 309 K HA 0.480 4.800 4.320 0.000 0.000 0.249 309 K C -2.562 173.690 176.600 -0.580 0.000 0.942 309 K CA -1.657 54.428 56.287 -0.336 0.000 0.816 309 K CB 2.111 34.369 32.500 -0.403 0.000 1.155 309 K HN -0.120 nan 8.250 nan 0.000 0.428 310 P HA 0.225 nan 4.420 nan 0.000 0.282 310 P C -1.414 175.157 177.300 -1.216 0.000 1.259 310 P CA -0.396 62.203 63.100 -0.834 0.000 0.826 310 P CB 0.738 31.979 31.700 -0.765 0.000 1.064 311 Y N -0.449 119.357 120.300 -0.823 0.000 2.492 311 Y HA 0.398 4.948 4.550 0.000 0.000 0.346 311 Y C -0.556 174.878 175.900 -0.776 0.000 0.997 311 Y CA -0.483 57.235 58.100 -0.637 0.000 1.025 311 Y CB 1.891 40.273 38.460 -0.131 0.000 1.263 311 Y HN 0.356 nan 8.280 nan 0.000 0.454 312 W N 4.377 125.793 121.300 0.193 0.000 2.475 312 W HA 0.634 5.294 4.660 0.000 0.000 0.317 312 W C -1.059 175.597 176.519 0.228 0.000 1.046 312 W CA -0.914 56.514 57.345 0.138 0.000 1.215 312 W CB 0.957 30.501 29.460 0.139 0.000 1.335 312 W HN 0.255 nan 8.180 nan 0.000 0.471 313 L N 5.581 126.997 121.223 0.320 0.000 2.387 313 L HA 0.135 4.475 4.340 0.000 0.000 0.267 313 L C 1.734 178.769 176.870 0.276 0.000 1.197 313 L CA -0.655 54.354 54.840 0.281 0.000 1.070 313 L CB -0.732 41.363 42.059 0.059 0.000 1.349 313 L HN 0.659 nan 8.230 nan 0.000 0.422 314 H N 1.539 120.741 119.070 0.220 0.000 2.267 314 H HA -0.017 4.539 4.556 0.000 0.000 0.297 314 H C -0.038 175.363 175.328 0.123 0.000 1.080 314 H CA 0.824 56.972 56.048 0.166 0.000 1.278 314 H CB -0.067 29.791 29.762 0.160 0.000 1.365 314 H HN 0.401 nan 8.280 nan 0.000 0.489 315 K N 0.343 120.331 120.400 -0.687 0.000 2.695 315 K HA 0.572 4.892 4.320 0.000 0.000 0.255 315 K C -0.807 175.589 176.600 -0.341 0.000 1.016 315 K CA 0.022 56.089 56.287 -0.367 0.000 0.928 315 K CB 2.824 35.202 32.500 -0.202 0.000 1.235 315 K HN 0.462 nan 8.250 nan 0.000 0.467 316 A N 1.768 124.519 122.820 -0.115 0.000 2.521 316 A HA -0.072 4.249 4.320 0.000 0.000 0.237 316 A C 1.251 178.858 177.584 0.038 0.000 1.087 316 A CA 0.472 52.528 52.037 0.031 0.000 0.777 316 A CB 0.243 19.309 19.000 0.110 0.000 1.035 316 A HN 0.875 nan 8.150 nan 0.000 0.510 317 Q N 0.832 120.690 119.800 0.096 0.000 2.163 317 Q HA 0.250 4.590 4.340 0.000 0.000 0.198 317 Q C 1.071 177.094 176.000 0.037 0.000 0.954 317 Q CA 1.280 57.120 55.803 0.062 0.000 0.851 317 Q CB -0.687 28.094 28.738 0.072 0.000 0.928 317 Q HN 0.815 nan 8.270 nan 0.000 0.459 318 G N -0.647 108.205 108.800 0.087 0.000 2.531 318 G HA2 0.157 4.118 3.960 0.000 0.000 0.253 318 G HA3 0.157 4.118 3.960 0.000 0.000 0.253 318 G C -0.190 174.741 174.900 0.053 0.000 1.439 318 G CA -0.059 45.072 45.100 0.050 0.000 1.056 318 G HN 0.423 nan 8.290 nan 0.000 0.555 319 H N -1.064 118.122 119.070 0.194 0.000 2.465 319 H HA 0.097 4.653 4.556 0.000 0.000 0.289 319 H C 0.818 176.285 175.328 0.233 0.000 1.022 319 H CA -0.057 56.115 56.048 0.207 0.000 1.340 319 H CB 0.391 30.301 29.762 0.247 0.000 1.437 319 H HN 0.240 nan 8.280 nan 0.000 0.539 320 N N 1.462 120.409 118.700 0.412 0.000 2.430 320 N HA -0.083 4.657 4.740 0.000 0.000 0.265 320 N C -0.707 174.918 175.510 0.192 0.000 1.100 320 N CA 0.137 53.403 53.050 0.360 0.000 0.961 320 N CB 0.439 39.225 38.487 0.499 0.000 1.075 320 N HN 0.245 nan 8.380 nan 0.000 0.478 321 N N 2.917 121.630 118.700 0.021 0.000 3.131 321 N HA 0.151 4.892 4.740 0.000 0.000 0.312 321 N C 0.546 175.844 175.510 -0.354 0.000 1.433 321 N CA 0.388 53.369 53.050 -0.116 0.000 1.141 321 N CB -0.501 37.944 38.487 -0.069 0.000 1.431 321 N HN 0.858 nan 8.380 nan 0.000 0.523 322 G N -0.070 108.231 108.800 -0.831 0.000 2.179 322 G HA2 -0.270 3.691 3.960 0.000 0.000 0.260 322 G HA3 -0.270 3.691 3.960 0.000 0.000 0.260 322 G C 0.109 174.651 174.900 -0.597 0.000 0.977 322 G CA 0.222 44.567 45.100 -1.257 0.000 0.641 322 G HN 0.317 nan 8.290 nan 0.000 0.533 323 V N 1.240 120.915 119.914 -0.400 0.000 2.446 323 V HA 0.226 4.346 4.120 0.000 0.000 0.276 323 V C 1.228 177.112 176.094 -0.349 0.000 1.030 323 V CA 0.137 62.183 62.300 -0.424 0.000 1.033 323 V CB 0.904 32.310 31.823 -0.696 0.000 0.993 323 V HN 0.442 nan 8.190 nan 0.000 0.477 324 C N 5.939 125.136 119.300 -0.172 0.000 2.183 324 C HA 0.275 4.736 4.460 0.000 0.000 0.409 324 C C 0.466 175.488 174.990 0.054 0.000 1.022 324 C CA -1.407 57.635 59.018 0.040 0.000 1.367 324 C CB -1.892 25.926 27.740 0.130 0.000 1.650 324 C HN 0.863 nan 8.230 nan 0.000 0.499 325 W N 1.670 123.120 121.300 0.249 0.000 2.209 325 W HA 0.216 4.877 4.660 0.000 0.000 0.344 325 W C 1.248 177.944 176.519 0.296 0.000 1.285 325 W CA 0.404 57.885 57.345 0.226 0.000 1.267 325 W CB -0.108 29.498 29.460 0.243 0.000 1.167 325 W HN 0.786 nan 8.180 nan 0.000 0.574 326 H N 0.216 119.476 119.070 0.317 0.000 3.211 326 H HA -0.262 4.295 4.556 0.000 0.000 0.240 326 H C 0.343 175.752 175.328 0.135 0.000 1.148 326 H CA 1.141 57.293 56.048 0.174 0.000 1.160 326 H CB -1.930 27.931 29.762 0.165 0.000 1.232 326 H HN 0.532 nan 8.280 nan 0.000 0.321 327 N N 0.048 118.876 118.700 0.214 0.000 2.725 327 N HA -0.211 4.529 4.740 0.000 0.000 0.251 327 N C -0.254 175.289 175.510 0.055 0.000 1.031 327 N CA 1.471 54.591 53.050 0.118 0.000 0.720 327 N CB -0.686 37.848 38.487 0.078 0.000 0.930 327 N HN 0.735 nan 8.380 nan 0.000 0.543 328 Q N -0.653 119.207 119.800 0.101 0.000 2.484 328 Q HA 0.786 5.127 4.340 0.000 0.000 0.285 328 Q C -1.151 174.865 176.000 0.027 0.000 1.097 328 Q CA -0.872 54.943 55.803 0.020 0.000 0.802 328 Q CB 2.394 31.208 28.738 0.127 0.000 1.444 328 Q HN 0.234 nan 8.270 nan 0.000 0.429 329 L N 1.092 122.235 121.223 -0.134 0.000 2.565 329 L HA 0.517 4.857 4.340 0.000 0.000 0.261 329 L C -2.098 174.632 176.870 -0.233 0.000 0.932 329 L CA -0.113 54.707 54.840 -0.032 0.000 0.878 329 L CB 1.652 43.669 42.059 -0.071 0.000 1.333 329 L HN 0.490 nan 8.230 nan 0.000 0.409 330 F N 4.525 124.409 119.950 -0.109 0.000 2.426 330 F HA 0.667 5.194 4.527 0.000 0.000 0.348 330 F C -0.122 175.649 175.800 -0.048 0.000 1.124 330 F CA -0.797 57.109 58.000 -0.157 0.000 1.008 330 F CB 2.010 40.839 39.000 -0.285 0.000 1.139 330 F HN 0.088 nan 8.300 nan 0.000 0.452 331 V N 2.916 122.929 119.914 0.165 0.000 2.334 331 V HA 0.388 4.509 4.120 0.000 0.000 0.281 331 V C -0.259 175.961 176.094 0.210 0.000 1.016 331 V CA -0.631 61.813 62.300 0.240 0.000 0.832 331 V CB 1.330 33.353 31.823 0.333 0.000 0.999 331 V HN 0.761 nan 8.190 nan 0.000 0.439 332 T N 4.864 119.520 114.554 0.171 0.000 2.749 332 T HA 0.663 5.014 4.350 0.000 0.000 0.287 332 T C -0.244 174.573 174.700 0.196 0.000 0.970 332 T CA -0.333 61.852 62.100 0.142 0.000 0.980 332 T CB 1.530 70.466 68.868 0.114 0.000 0.924 332 T HN 0.349 nan 8.240 nan 0.000 0.456 333 V N 3.564 123.575 119.914 0.162 0.000 2.876 333 V HA 0.709 4.829 4.120 0.000 0.000 0.312 333 V C -0.727 175.462 176.094 0.160 0.000 1.085 333 V CA -0.768 61.654 62.300 0.203 0.000 0.945 333 V CB 2.447 34.384 31.823 0.189 0.000 1.017 333 V HN 0.685 nan 8.190 nan 0.000 0.428 334 V N 2.561 122.598 119.914 0.205 0.000 2.612 334 V HA 0.564 4.684 4.120 0.000 0.000 0.301 334 V C -1.489 174.742 176.094 0.229 0.000 1.059 334 V CA -0.411 61.950 62.300 0.103 0.000 0.886 334 V CB 1.947 33.738 31.823 -0.053 0.000 1.007 334 V HN 1.009 nan 8.190 nan 0.000 0.426 335 D N 2.485 122.993 120.400 0.179 0.000 2.479 335 D HA 0.400 5.040 4.640 0.000 0.000 0.246 335 D C 0.561 176.899 176.300 0.064 0.000 1.336 335 D CA 0.133 54.268 54.000 0.224 0.000 0.967 335 D CB 2.078 43.038 40.800 0.266 0.000 1.275 335 D HN 0.608 nan 8.370 nan 0.000 0.577 336 T N -0.474 114.093 114.554 0.022 0.000 3.134 336 T HA 0.057 4.407 4.350 0.000 0.000 0.260 336 T C 1.323 176.011 174.700 -0.020 0.000 1.027 336 T CA 0.461 62.484 62.100 -0.128 0.000 0.913 336 T CB -0.143 68.630 68.868 -0.158 0.000 1.046 336 T HN 0.313 nan 8.240 nan 0.000 0.553 337 T N -0.159 114.425 114.554 0.051 0.000 3.148 337 T HA 0.246 4.596 4.350 0.000 0.000 0.253 337 T C 0.850 175.580 174.700 0.048 0.000 1.134 337 T CA -0.331 61.807 62.100 0.065 0.000 1.051 337 T CB -0.319 68.600 68.868 0.085 0.000 0.959 337 T HN 0.386 nan 8.240 nan 0.000 0.525 338 R N 1.293 121.813 120.500 0.032 0.000 2.644 338 R HA 0.285 4.625 4.340 0.000 0.000 0.271 338 R C 0.211 176.556 176.300 0.075 0.000 1.687 338 R CA -0.050 56.077 56.100 0.045 0.000 1.655 338 R CB 0.882 31.198 30.300 0.025 0.000 1.285 338 R HN 0.403 nan 8.270 nan 0.000 0.643 339 S N -1.646 114.062 115.700 0.013 0.000 2.602 339 S HA 0.003 4.474 4.470 0.000 0.000 0.240 339 S C 0.684 175.217 174.600 -0.113 0.000 0.992 339 S CA -0.563 57.571 58.200 -0.110 0.000 0.971 339 S CB 0.250 63.360 63.200 -0.150 0.000 0.855 339 S HN 0.315 nan 8.310 nan 0.000 0.481 340 T N 2.061 116.623 114.554 0.012 0.000 2.867 340 T HA 0.193 4.543 4.350 0.000 0.000 0.297 340 T C -0.283 174.438 174.700 0.034 0.000 0.989 340 T CA -0.279 61.834 62.100 0.022 0.000 1.159 340 T CB -0.217 68.679 68.868 0.047 0.000 0.928 340 T HN 0.435 nan 8.240 nan 0.000 0.538 341 N N 2.806 121.502 118.700 -0.007 0.000 2.469 341 N HA 0.349 5.090 4.740 0.000 0.000 0.253 341 N C -0.129 175.396 175.510 0.025 0.000 0.970 341 N CA -0.747 52.302 53.050 -0.002 0.000 0.940 341 N CB 0.987 39.425 38.487 -0.081 0.000 1.128 341 N HN 0.513 nan 8.380 nan 0.000 0.503 342 L N 1.527 122.779 121.223 0.048 0.000 2.499 342 L HA 0.085 4.425 4.340 0.000 0.000 0.281 342 L C 0.544 177.435 176.870 0.035 0.000 1.234 342 L CA 0.327 55.191 54.840 0.040 0.000 0.839 342 L CB 0.022 42.105 42.059 0.040 0.000 1.104 342 L HN 0.435 nan 8.230 nan 0.000 0.500 343 T N 3.275 117.855 114.554 0.044 0.000 2.786 343 T HA 0.637 4.987 4.350 0.000 0.000 0.283 343 T C -0.385 174.362 174.700 0.079 0.000 0.992 343 T CA -0.322 61.813 62.100 0.059 0.000 0.954 343 T CB 1.043 69.941 68.868 0.050 0.000 0.934 343 T HN 0.161 nan 8.240 nan 0.000 0.440 344 I N 3.093 123.733 120.570 0.118 0.000 2.693 344 I HA 0.711 4.881 4.170 0.000 0.000 0.303 344 I C -0.179 176.068 176.117 0.217 0.000 1.025 344 I CA -0.675 60.704 61.300 0.133 0.000 1.086 344 I CB 1.847 39.904 38.000 0.096 0.000 1.268 344 I HN 0.845 nan 8.210 nan 0.000 0.440 345 C N 2.838 122.264 119.300 0.210 0.000 2.931 345 C HA 0.962 5.422 4.460 0.000 0.000 0.370 345 C C -0.495 174.647 174.990 0.253 0.000 1.071 345 C CA -0.841 58.348 59.018 0.284 0.000 1.266 345 C CB 0.408 28.310 27.740 0.269 0.000 1.691 345 C HN 1.066 nan 8.230 nan 0.000 0.511 346 A N 2.638 125.603 122.820 0.241 0.000 2.384 346 A HA 0.991 5.311 4.320 0.000 0.000 0.312 346 A C 0.105 177.687 177.584 -0.003 0.000 1.113 346 A CA 0.056 52.161 52.037 0.114 0.000 0.779 346 A CB 1.346 20.385 19.000 0.065 0.000 1.307 346 A HN 2.108 nan 8.150 nan 0.000 0.436 347 S N -0.142 115.440 115.700 -0.197 0.000 2.672 347 S HA 0.450 4.920 4.470 0.000 0.000 0.276 347 S C 0.651 175.095 174.600 -0.261 0.000 1.207 347 S CA 0.249 58.146 58.200 -0.506 0.000 1.002 347 S CB 1.127 63.899 63.200 -0.713 0.000 0.998 347 S HN 0.605 nan 8.310 nan 0.000 0.542 348 T N 0.894 115.287 114.554 -0.269 0.000 2.942 348 T HA 0.052 4.402 4.350 0.000 0.000 0.265 348 T C 0.417 175.043 174.700 -0.122 0.000 1.062 348 T CA 0.865 62.882 62.100 -0.139 0.000 1.139 348 T CB -0.168 68.634 68.868 -0.110 0.000 0.883 348 T HN 0.545 nan 8.240 nan 0.000 0.468 349 Q N 1.179 120.882 119.800 -0.161 0.000 2.293 349 Q HA 0.352 4.692 4.340 0.000 0.000 0.251 349 Q C 1.242 177.185 176.000 -0.095 0.000 0.930 349 Q CA -0.089 55.649 55.803 -0.109 0.000 0.893 349 Q CB 1.438 30.113 28.738 -0.105 0.000 1.215 349 Q HN 0.123 nan 8.270 nan 0.000 0.425 350 S N 2.703 118.368 115.700 -0.059 0.000 2.345 350 S HA -0.053 4.417 4.470 0.000 0.000 0.220 350 S C -0.802 173.777 174.600 -0.036 0.000 1.031 350 S CA 0.879 59.053 58.200 -0.044 0.000 0.996 350 S CB -0.657 62.525 63.200 -0.029 0.000 0.882 350 S HN 0.497 nan 8.310 nan 0.000 0.445 351 P HA 0.124 nan 4.420 nan 0.000 0.225 351 P C -0.294 177.000 177.300 -0.009 0.000 1.148 351 P CA 0.529 63.621 63.100 -0.014 0.000 0.779 351 P CB -0.059 31.636 31.700 -0.009 0.000 0.780 352 V N -1.096 118.801 119.914 -0.028 0.000 4.700 352 V HA -0.108 4.013 4.120 0.000 0.000 0.388 352 V C -2.009 174.102 176.094 0.028 0.000 0.654 352 V CA -0.966 61.325 62.300 -0.013 0.000 1.587 352 V CB -2.225 29.611 31.823 0.023 0.000 1.932 352 V HN 0.282 nan 8.190 nan 0.000 0.480 353 P HA 0.105 nan 4.420 nan 0.000 0.264 353 P C 1.166 178.525 177.300 0.098 0.000 1.179 353 P CA 0.930 64.061 63.100 0.051 0.000 0.763 353 P CB 0.844 32.566 31.700 0.037 0.000 0.806 354 G N 1.254 110.101 108.800 0.078 0.000 2.920 354 G HA2 -0.028 3.932 3.960 0.000 0.000 0.208 354 G HA3 -0.028 3.932 3.960 0.000 0.000 0.208 354 G C 0.528 175.488 174.900 0.101 0.000 1.159 354 G CA 0.205 45.357 45.100 0.086 0.000 0.784 354 G HN 0.551 nan 8.290 nan 0.000 0.535 355 Q N -0.063 119.803 119.800 0.110 0.000 2.331 355 Q HA 0.464 4.804 4.340 0.000 0.000 0.267 355 Q C -1.400 174.702 176.000 0.170 0.000 1.006 355 Q CA -1.137 54.737 55.803 0.118 0.000 0.818 355 Q CB 1.188 29.971 28.738 0.076 0.000 1.276 355 Q HN 0.232 nan 8.270 nan 0.000 0.450 356 Y N 2.987 123.329 120.300 0.069 0.000 2.359 356 Y HA 0.418 4.968 4.550 0.000 0.000 0.330 356 Y C -0.865 175.082 175.900 0.078 0.000 1.143 356 Y CA 0.322 58.465 58.100 0.071 0.000 1.318 356 Y CB 0.913 39.369 38.460 -0.007 0.000 1.234 356 Y HN 0.681 nan 8.280 nan 0.000 0.522 357 D N 4.582 124.550 120.400 -0.720 0.000 2.365 357 D HA 0.300 4.940 4.640 0.000 0.000 0.235 357 D C 0.310 176.285 176.300 -0.542 0.000 1.368 357 D CA 0.172 53.863 54.000 -0.515 0.000 1.001 357 D CB 1.122 41.835 40.800 -0.146 0.000 1.364 357 D HN 0.717 nan 8.370 nan 0.000 0.577 358 A N 2.509 124.942 122.820 -0.644 0.000 1.971 358 A HA -0.240 4.080 4.320 0.000 0.000 0.222 358 A C 2.015 179.581 177.584 -0.030 0.000 1.182 358 A CA 2.731 54.606 52.037 -0.271 0.000 0.649 358 A CB -0.992 17.959 19.000 -0.082 0.000 0.818 358 A HN 0.693 nan 8.150 nan 0.000 0.458 359 T N -2.145 112.388 114.554 -0.034 0.000 2.962 359 T HA -0.070 4.281 4.350 0.000 0.000 0.270 359 T C 1.335 176.057 174.700 0.036 0.000 1.088 359 T CA 1.494 63.598 62.100 0.006 0.000 1.127 359 T CB -0.362 68.498 68.868 -0.014 0.000 0.883 359 T HN 0.587 nan 8.240 nan 0.000 0.493 360 K N 0.456 120.899 120.400 0.072 0.000 2.504 360 K HA 0.281 4.602 4.320 0.000 0.000 0.199 360 K C -0.899 175.610 176.600 -0.151 0.000 1.028 360 K CA -0.098 56.176 56.287 -0.021 0.000 1.164 360 K CB -0.004 32.450 32.500 -0.076 0.000 0.877 360 K HN 0.366 nan 8.250 nan 0.000 0.508 361 F N 0.818 120.743 119.950 -0.041 0.000 2.556 361 F HA 0.347 4.875 4.527 0.000 0.000 0.314 361 F C -0.098 175.705 175.800 0.006 0.000 1.106 361 F CA -1.079 56.924 58.000 0.005 0.000 0.911 361 F CB 1.655 40.670 39.000 0.025 0.000 1.190 361 F HN -0.363 nan 8.300 nan 0.000 0.448 362 K N 2.099 122.606 120.400 0.178 0.000 2.185 362 K HA 0.443 4.763 4.320 0.000 0.000 0.269 362 K C -0.818 175.822 176.600 0.066 0.000 0.987 362 K CA -0.970 55.354 56.287 0.062 0.000 0.865 362 K CB 1.648 34.197 32.500 0.081 0.000 1.090 362 K HN 0.490 nan 8.250 nan 0.000 0.450 363 Q N 2.215 121.955 119.800 -0.099 0.000 2.278 363 Q HA 0.314 4.655 4.340 0.000 0.000 0.257 363 Q C -1.589 174.268 176.000 -0.238 0.000 0.928 363 Q CA -0.129 55.648 55.803 -0.043 0.000 0.932 363 Q CB 0.763 29.494 28.738 -0.010 0.000 1.221 363 Q HN 0.363 nan 8.270 nan 0.000 0.434 364 Y N -0.043 120.286 120.300 0.049 0.000 2.562 364 Y HA 0.654 5.205 4.550 0.000 0.000 0.343 364 Y C -0.137 175.761 175.900 -0.003 0.000 1.025 364 Y CA -0.875 57.239 58.100 0.024 0.000 1.082 364 Y CB 2.509 40.980 38.460 0.018 0.000 1.264 364 Y HN 0.446 nan 8.280 nan 0.000 0.478 365 S N 2.535 118.301 115.700 0.111 0.000 2.605 365 S HA 0.697 5.167 4.470 0.000 0.000 0.308 365 S C -1.239 173.324 174.600 -0.063 0.000 1.113 365 S CA -0.737 57.454 58.200 -0.014 0.000 1.049 365 S CB 0.302 63.431 63.200 -0.119 0.000 1.001 365 S HN 0.533 nan 8.310 nan 0.000 0.480 366 R N 2.756 123.237 120.500 -0.032 0.000 2.744 366 R HA 0.434 4.774 4.340 0.000 0.000 0.279 366 R C -1.075 175.249 176.300 0.041 0.000 0.977 366 R CA -0.654 55.433 56.100 -0.021 0.000 0.906 366 R CB 1.474 31.773 30.300 -0.002 0.000 1.197 366 R HN 0.864 nan 8.270 nan 0.000 0.463 367 H N 0.866 119.887 119.070 -0.081 0.000 2.637 367 H HA 0.567 5.123 4.556 0.000 0.000 0.363 367 H C -1.049 174.271 175.328 -0.013 0.000 1.131 367 H CA -0.818 55.200 56.048 -0.049 0.000 1.183 367 H CB 1.999 31.726 29.762 -0.058 0.000 1.637 367 H HN 0.180 nan 8.280 nan 0.000 0.531 368 V N 3.227 122.922 119.914 -0.364 0.000 2.769 368 V HA 0.272 4.392 4.120 0.000 0.000 0.312 368 V C -0.493 175.317 176.094 -0.474 0.000 1.058 368 V CA -0.668 61.447 62.300 -0.309 0.000 0.952 368 V CB 1.812 33.566 31.823 -0.117 0.000 1.019 368 V HN 0.744 nan 8.190 nan 0.000 0.445 369 E N 1.728 121.817 120.200 -0.185 0.000 2.281 369 E HA 0.418 4.768 4.350 0.000 0.000 0.266 369 E C -1.181 175.472 176.600 0.088 0.000 0.893 369 E CA -0.319 56.051 56.400 -0.049 0.000 0.798 369 E CB 1.657 31.434 29.700 0.127 0.000 1.245 369 E HN 0.746 nan 8.360 nan 0.000 0.410 370 E N 3.873 124.047 120.200 -0.044 0.000 2.191 370 E HA 0.383 4.733 4.350 0.000 0.000 0.263 370 E C -1.251 175.232 176.600 -0.197 0.000 0.881 370 E CA -0.550 55.836 56.400 -0.024 0.000 0.757 370 E CB 0.797 30.459 29.700 -0.063 0.000 1.147 370 E HN 0.420 nan 8.360 nan 0.000 0.414 371 Y N 1.523 121.755 120.300 -0.114 0.000 2.659 371 Y HA 0.468 5.019 4.550 0.000 0.000 0.333 371 Y C -0.313 175.432 175.900 -0.260 0.000 1.064 371 Y CA -0.789 57.177 58.100 -0.224 0.000 1.141 371 Y CB 1.878 40.141 38.460 -0.328 0.000 1.316 371 Y HN 0.430 nan 8.280 nan 0.000 0.509 372 D N 1.235 121.552 120.400 -0.139 0.000 2.484 372 D HA 0.203 4.843 4.640 0.000 0.000 0.206 372 D C -2.064 174.062 176.300 -0.290 0.000 1.322 372 D CA -0.158 53.723 54.000 -0.198 0.000 0.913 372 D CB 0.775 41.491 40.800 -0.139 0.000 1.559 372 D HN 0.532 nan 8.370 nan 0.000 0.565 373 L N 2.503 123.498 121.223 -0.380 0.000 2.309 373 L HA 0.506 4.846 4.340 0.000 0.000 0.282 373 L C 0.200 176.732 176.870 -0.564 0.000 1.036 373 L CA -0.570 53.953 54.840 -0.528 0.000 0.806 373 L CB 1.713 43.480 42.059 -0.486 0.000 1.220 373 L HN 0.258 nan 8.230 nan 0.000 0.429 374 Q N 3.107 122.398 119.800 -0.848 0.000 2.323 374 Q HA 0.645 4.986 4.340 0.000 0.000 0.271 374 Q C -1.594 173.741 176.000 -1.109 0.000 1.048 374 Q CA -0.509 54.849 55.803 -0.742 0.000 0.792 374 Q CB 2.811 31.300 28.738 -0.416 0.000 1.280 374 Q HN 0.366 nan 8.270 nan 0.000 0.441 375 F N 1.106 120.650 119.950 -0.677 0.000 2.620 375 F HA 0.605 5.132 4.527 0.000 0.000 0.320 375 F C -0.435 174.824 175.800 -0.902 0.000 1.069 375 F CA -1.126 56.390 58.000 -0.807 0.000 0.953 375 F CB 1.481 39.830 39.000 -1.085 0.000 1.322 375 F HN 0.276 nan 8.300 nan 0.000 0.479 376 I N 2.430 122.616 120.570 -0.639 0.000 2.468 376 I HA 0.313 4.484 4.170 0.000 0.000 0.284 376 I C -1.118 174.673 176.117 -0.543 0.000 1.038 376 I CA -0.780 60.200 61.300 -0.532 0.000 1.083 376 I CB 0.970 38.653 38.000 -0.528 0.000 1.223 376 I HN 0.416 nan 8.210 nan 0.000 0.443 377 F N 4.011 123.841 119.950 -0.201 0.000 2.458 377 F HA 0.502 5.029 4.527 0.000 0.000 0.330 377 F C 0.636 176.504 175.800 0.113 0.000 1.082 377 F CA -0.586 57.347 58.000 -0.110 0.000 0.995 377 F CB 1.655 40.432 39.000 -0.371 0.000 1.170 377 F HN 0.385 nan 8.300 nan 0.000 0.478 378 Q N 2.710 122.734 119.800 0.374 0.000 2.333 378 Q HA 0.476 4.816 4.340 0.000 0.000 0.267 378 Q C -1.533 174.632 176.000 0.276 0.000 1.012 378 Q CA -1.179 54.721 55.803 0.161 0.000 0.824 378 Q CB 1.985 30.725 28.738 0.003 0.000 1.290 378 Q HN 0.698 nan 8.270 nan 0.000 0.449 379 L N 3.894 125.232 121.223 0.192 0.000 2.360 379 L HA 0.333 4.673 4.340 0.000 0.000 0.276 379 L C -1.340 175.442 176.870 -0.147 0.000 1.121 379 L CA 0.353 55.192 54.840 -0.003 0.000 0.845 379 L CB 0.546 42.582 42.059 -0.038 0.000 1.143 379 L HN 0.806 nan 8.230 nan 0.000 0.452 380 C N 2.270 121.431 119.300 -0.232 0.000 2.779 380 C HA 0.848 5.308 4.460 0.000 0.000 0.314 380 C C 0.091 174.936 174.990 -0.243 0.000 1.231 380 C CA -0.548 58.353 59.018 -0.195 0.000 1.652 380 C CB 1.952 29.601 27.740 -0.152 0.000 2.198 380 C HN 0.888 nan 8.230 nan 0.000 0.483 381 T N -0.648 113.809 114.554 -0.162 0.000 2.863 381 T HA 0.805 5.155 4.350 0.000 0.000 0.285 381 T C -1.058 173.611 174.700 -0.051 0.000 1.009 381 T CA -0.432 61.581 62.100 -0.145 0.000 0.989 381 T CB 1.024 69.841 68.868 -0.085 0.000 1.004 381 T HN 0.333 nan 8.240 nan 0.000 0.455 382 I N 2.397 122.941 120.570 -0.043 0.000 2.420 382 I HA 0.276 4.446 4.170 0.000 0.000 0.282 382 I C 0.339 176.479 176.117 0.038 0.000 1.019 382 I CA -0.278 61.066 61.300 0.073 0.000 1.130 382 I CB 1.877 39.997 38.000 0.199 0.000 1.262 382 I HN 0.744 nan 8.210 nan 0.000 0.454 383 T N 7.304 121.897 114.554 0.066 0.000 2.738 383 T HA 0.287 4.637 4.350 0.000 0.000 0.293 383 T C 0.498 175.233 174.700 0.058 0.000 0.913 383 T CA -0.207 61.919 62.100 0.045 0.000 1.103 383 T CB -0.133 68.760 68.868 0.042 0.000 0.880 383 T HN 0.270 nan 8.240 nan 0.000 0.526 384 L N 5.405 126.652 121.223 0.041 0.000 2.536 384 L HA 0.196 4.536 4.340 0.000 0.000 0.282 384 L C 1.413 178.309 176.870 0.043 0.000 1.147 384 L CA -0.377 54.500 54.840 0.061 0.000 0.936 384 L CB -0.554 41.542 42.059 0.061 0.000 1.279 384 L HN 0.732 nan 8.230 nan 0.000 0.461 385 T N -0.685 113.894 114.554 0.042 0.000 2.919 385 T HA 0.635 4.985 4.350 0.000 0.000 0.282 385 T C 1.170 175.886 174.700 0.026 0.000 1.020 385 T CA -0.120 61.996 62.100 0.027 0.000 0.994 385 T CB 1.854 70.735 68.868 0.022 0.000 1.180 385 T HN 0.381 nan 8.240 nan 0.000 0.566 386 A N 1.777 124.608 122.820 0.018 0.000 1.885 386 A HA -0.221 4.099 4.320 0.000 0.000 0.215 386 A C 1.887 179.480 177.584 0.016 0.000 1.255 386 A CA 2.737 54.783 52.037 0.016 0.000 0.692 386 A CB -1.881 17.126 19.000 0.011 0.000 0.842 386 A HN 1.058 nan 8.150 nan 0.000 0.465 387 D N -0.333 120.075 120.400 0.013 0.000 2.172 387 D HA -0.158 4.483 4.640 0.000 0.000 0.196 387 D C 1.522 177.830 176.300 0.015 0.000 0.999 387 D CA 1.585 55.594 54.000 0.015 0.000 0.856 387 D CB -1.017 39.786 40.800 0.006 0.000 0.934 387 D HN 0.196 nan 8.370 nan 0.000 0.453 388 V N 0.272 120.182 119.914 -0.008 0.000 2.252 388 V HA -0.328 3.792 4.120 0.000 0.000 0.249 388 V C 2.630 178.733 176.094 0.015 0.000 1.056 388 V CA 2.179 64.456 62.300 -0.038 0.000 1.022 388 V CB -0.559 31.266 31.823 0.003 0.000 0.641 388 V HN 0.248 nan 8.190 nan 0.000 0.445 389 M N 0.483 120.105 119.600 0.036 0.000 2.132 389 M HA -0.153 4.327 4.480 0.000 0.000 0.263 389 M C 2.435 178.735 176.300 -0.000 0.000 1.065 389 M CA 2.178 57.498 55.300 0.034 0.000 1.122 389 M CB -0.427 32.199 32.600 0.043 0.000 1.365 389 M HN 0.590 nan 8.290 nan 0.000 0.411 390 S N -0.563 115.142 115.700 0.009 0.000 2.399 390 S HA -0.201 4.269 4.470 0.000 0.000 0.231 390 S C 1.752 176.342 174.600 -0.016 0.000 1.022 390 S CA 1.010 59.205 58.200 -0.008 0.000 0.983 390 S CB -0.943 62.260 63.200 0.006 0.000 0.803 390 S HN 0.566 nan 8.310 nan 0.000 0.480 391 Y N 2.628 122.858 120.300 -0.117 0.000 2.109 391 Y HA 0.023 4.573 4.550 0.000 0.000 0.285 391 Y C 2.063 177.849 175.900 -0.190 0.000 1.131 391 Y CA 1.419 59.432 58.100 -0.145 0.000 1.121 391 Y CB -0.471 37.853 38.460 -0.226 0.000 0.987 391 Y HN 0.170 nan 8.280 nan 0.000 0.495 392 I N 0.395 120.900 120.570 -0.109 0.000 2.423 392 I HA -0.319 3.851 4.170 0.000 0.000 0.254 392 I C 2.334 178.256 176.117 -0.325 0.000 1.151 392 I CA 1.608 62.739 61.300 -0.283 0.000 1.421 392 I CB -0.539 37.342 38.000 -0.199 0.000 1.079 392 I HN 0.351 nan 8.210 nan 0.000 0.431 393 Q N 1.250 120.923 119.800 -0.212 0.000 2.020 393 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 393 Q C 2.307 178.181 176.000 -0.209 0.000 0.982 393 Q CA 2.467 58.161 55.803 -0.181 0.000 0.838 393 Q CB -0.165 28.507 28.738 -0.109 0.000 0.899 393 Q HN 0.396 nan 8.270 nan 0.000 0.423 394 S N -0.133 115.433 115.700 -0.224 0.000 2.368 394 S HA -0.136 4.334 4.470 0.000 0.000 0.224 394 S C 1.798 176.255 174.600 -0.238 0.000 1.029 394 S CA 1.314 59.398 58.200 -0.193 0.000 0.988 394 S CB -0.369 62.729 63.200 -0.170 0.000 0.838 394 S HN 0.530 nan 8.310 nan 0.000 0.462 395 M N 1.193 120.517 119.600 -0.460 0.000 2.059 395 M HA -0.053 4.427 4.480 0.000 0.000 0.259 395 M C 0.406 176.336 176.300 -0.617 0.000 1.072 395 M CA 1.570 56.384 55.300 -0.809 0.000 1.117 395 M CB 0.080 32.034 32.600 -1.076 0.000 1.320 395 M HN 0.265 nan 8.290 nan 0.000 0.408 396 N N -0.257 118.148 118.700 -0.492 0.000 3.151 396 N HA 0.041 4.781 4.740 0.000 0.000 0.219 396 N C 0.419 175.747 175.510 -0.302 0.000 1.434 396 N CA 0.341 53.178 53.050 -0.355 0.000 0.767 396 N CB 0.731 39.004 38.487 -0.357 0.000 1.564 396 N HN 0.332 nan 8.380 nan 0.000 0.612 397 S N 0.733 116.295 115.700 -0.230 0.000 2.399 397 S HA -0.306 4.164 4.470 0.000 0.000 0.235 397 S C 1.973 176.451 174.600 -0.202 0.000 1.063 397 S CA 2.078 60.160 58.200 -0.197 0.000 1.070 397 S CB -0.694 62.424 63.200 -0.138 0.000 0.904 397 S HN 0.646 nan 8.310 nan 0.000 0.456 398 S N 2.266 117.876 115.700 -0.150 0.000 2.440 398 S HA -0.052 4.418 4.470 0.000 0.000 0.240 398 S C 1.746 176.196 174.600 -0.250 0.000 1.014 398 S CA 1.287 59.428 58.200 -0.097 0.000 0.980 398 S CB -1.016 62.211 63.200 0.046 0.000 0.775 398 S HN 0.661 nan 8.310 nan 0.000 0.499 399 I N 1.112 121.427 120.570 -0.426 0.000 2.202 399 I HA -0.132 4.038 4.170 0.000 0.000 0.242 399 I C 2.442 177.947 176.117 -1.020 0.000 1.091 399 I CA 1.245 62.030 61.300 -0.858 0.000 1.368 399 I CB -0.440 37.023 38.000 -0.895 0.000 1.058 399 I HN 0.286 nan 8.210 nan 0.000 0.410 400 L N 0.352 121.186 121.223 -0.649 0.000 2.093 400 L HA -0.187 4.153 4.340 0.000 0.000 0.208 400 L C 2.510 179.258 176.870 -0.202 0.000 1.085 400 L CA 1.246 55.861 54.840 -0.375 0.000 0.755 400 L CB -0.498 41.460 42.059 -0.168 0.000 0.904 400 L HN 0.259 nan 8.230 nan 0.000 0.435 401 E N 0.239 120.316 120.200 -0.206 0.000 2.033 401 E HA -0.265 4.086 4.350 0.000 0.000 0.199 401 E C 1.763 178.316 176.600 -0.078 0.000 1.011 401 E CA 1.768 58.103 56.400 -0.107 0.000 0.815 401 E CB -0.042 29.601 29.700 -0.096 0.000 0.755 401 E HN 0.444 nan 8.360 nan 0.000 0.451 402 D N -0.274 120.030 120.400 -0.159 0.000 2.158 402 D HA -0.190 4.450 4.640 0.000 0.000 0.197 402 D C 1.449 177.802 176.300 0.089 0.000 0.995 402 D CA 0.826 54.778 54.000 -0.079 0.000 0.846 402 D CB -0.317 40.374 40.800 -0.180 0.000 0.941 402 D HN 0.374 nan 8.370 nan 0.000 0.456 403 W N 1.251 122.520 121.300 -0.052 0.000 2.699 403 W HA 0.074 4.734 4.660 0.000 0.000 0.249 403 W C 0.649 177.156 176.519 -0.019 0.000 1.280 403 W CA -0.032 57.294 57.345 -0.031 0.000 1.345 403 W CB -1.080 28.365 29.460 -0.024 0.000 1.128 403 W HN -0.054 nan 8.180 nan 0.000 0.642 439 K N 0.565 120.961 120.400 -0.008 0.000 2.207 439 K HA 0.453 4.773 4.320 0.000 0.000 0.255 439 K C -1.328 175.251 176.600 -0.035 0.000 0.941 439 K CA -0.558 55.719 56.287 -0.016 0.000 0.825 439 K CB 1.317 33.800 32.500 -0.027 0.000 1.119 439 K HN 0.564 nan 8.250 nan 0.000 0.430 440 D N 2.539 122.920 120.400 -0.032 0.000 2.217 440 D HA 0.295 4.935 4.640 0.000 0.000 0.243 440 D C -1.595 174.616 176.300 -0.148 0.000 1.054 440 D CA -2.135 51.821 54.000 -0.074 0.000 0.838 440 D CB 1.266 42.082 40.800 0.027 0.000 1.162 440 D HN 0.218 nan 8.370 nan 0.000 0.472 441 P HA -0.116 nan 4.420 nan 0.000 0.236 441 P C 0.023 177.114 177.300 -0.348 0.000 1.172 441 P CA 1.001 63.845 63.100 -0.427 0.000 0.759 441 P CB -0.087 31.235 31.700 -0.630 0.000 0.843 442 Y N -1.219 119.130 120.300 0.082 0.000 2.500 442 Y HA 0.172 4.722 4.550 0.000 0.000 0.246 442 Y C 1.693 177.671 175.900 0.131 0.000 1.146 442 Y CA -0.616 57.583 58.100 0.165 0.000 1.230 442 Y CB -0.058 38.626 38.460 0.373 0.000 1.214 442 Y HN -0.146 nan 8.280 nan 0.000 0.526 443 D N 0.849 121.357 120.400 0.180 0.000 2.351 443 D HA -0.120 4.520 4.640 0.000 0.000 0.216 443 D C 1.667 177.997 176.300 0.049 0.000 0.968 443 D CA 0.983 55.051 54.000 0.114 0.000 0.899 443 D CB 0.161 41.001 40.800 0.068 0.000 0.907 443 D HN 0.254 nan 8.370 nan 0.000 0.514 444 K N -0.129 120.292 120.400 0.035 0.000 2.243 444 K HA 0.093 4.413 4.320 0.000 0.000 0.201 444 K C 0.948 177.502 176.600 -0.076 0.000 1.051 444 K CA 0.124 56.403 56.287 -0.014 0.000 0.970 444 K CB 0.383 32.879 32.500 -0.007 0.000 0.755 444 K HN 0.216 nan 8.250 nan 0.000 0.465 445 L N 1.869 123.014 121.223 -0.131 0.000 2.379 445 L HA 0.203 4.543 4.340 0.000 0.000 0.269 445 L C 0.426 176.942 176.870 -0.590 0.000 1.084 445 L CA -0.765 53.849 54.840 -0.376 0.000 0.802 445 L CB 0.561 42.320 42.059 -0.500 0.000 1.175 445 L HN -0.260 nan 8.230 nan 0.000 0.448 446 K N 2.719 122.774 120.400 -0.574 0.000 2.258 446 K HA 0.523 4.843 4.320 0.000 0.000 0.284 446 K C -0.897 175.370 176.600 -0.555 0.000 1.051 446 K CA 0.215 56.250 56.287 -0.420 0.000 0.923 446 K CB 0.826 33.199 32.500 -0.212 0.000 1.046 446 K HN 0.341 nan 8.250 nan 0.000 0.474 447 F N 0.218 120.194 119.950 0.043 0.000 2.675 447 F HA 0.319 4.846 4.527 0.000 0.000 0.324 447 F C -0.282 175.586 175.800 0.113 0.000 1.106 447 F CA -1.226 56.815 58.000 0.068 0.000 0.970 447 F CB 1.591 40.639 39.000 0.081 0.000 1.385 447 F HN 0.380 nan 8.300 nan 0.000 0.489 448 W N 4.148 125.543 121.300 0.158 0.000 2.298 448 W HA 0.328 4.989 4.660 0.000 0.000 0.327 448 W C -0.964 175.642 176.519 0.147 0.000 0.988 448 W CA -1.196 56.207 57.345 0.096 0.000 1.448 448 W CB 0.249 29.708 29.460 -0.002 0.000 1.243 448 W HN 0.389 nan 8.180 nan 0.000 0.388 449 N N 4.044 123.020 118.700 0.460 0.000 2.468 449 N HA 0.075 4.815 4.740 0.000 0.000 0.265 449 N C -0.793 174.895 175.510 0.297 0.000 1.199 449 N CA 0.245 53.467 53.050 0.287 0.000 0.928 449 N CB 1.821 40.420 38.487 0.187 0.000 1.059 449 N HN 0.055 nan 8.380 nan 0.000 0.467 450 V N 2.443 122.446 119.914 0.148 0.000 2.349 450 V HA 0.085 4.205 4.120 0.000 0.000 0.284 450 V C 0.059 176.170 176.094 0.029 0.000 1.014 450 V CA -0.893 61.457 62.300 0.083 0.000 0.826 450 V CB 1.594 33.407 31.823 -0.017 0.000 1.009 450 V HN 0.542 nan 8.190 nan 0.000 0.431 451 D N 4.761 125.189 120.400 0.047 0.000 2.295 451 D HA 0.321 4.962 4.640 0.000 0.000 0.248 451 D C 0.347 176.662 176.300 0.024 0.000 1.154 451 D CA -0.126 53.888 54.000 0.022 0.000 0.857 451 D CB 1.732 42.554 40.800 0.036 0.000 1.117 451 D HN 0.478 nan 8.370 nan 0.000 0.468 452 L N 3.679 124.908 121.223 0.010 0.000 2.959 452 L HA 0.162 4.502 4.340 0.000 0.000 0.259 452 L C 1.988 178.902 176.870 0.073 0.000 1.185 452 L CA -0.262 54.616 54.840 0.065 0.000 0.998 452 L CB 0.303 42.418 42.059 0.094 0.000 1.337 452 L HN 0.199 nan 8.230 nan 0.000 0.555 453 K N 0.721 121.104 120.400 -0.028 0.000 2.218 453 K HA -0.131 4.189 4.320 0.000 0.000 0.205 453 K C 0.826 177.416 176.600 -0.017 0.000 1.046 453 K CA 1.027 57.248 56.287 -0.110 0.000 0.933 453 K CB 0.151 32.604 32.500 -0.078 0.000 0.728 453 K HN 0.228 nan 8.250 nan 0.000 0.454 454 E N 0.138 120.378 120.200 0.067 0.000 2.496 454 E HA 0.058 4.409 4.350 0.000 0.000 0.200 454 E C 0.362 177.058 176.600 0.161 0.000 1.016 454 E CA 0.163 56.633 56.400 0.117 0.000 0.962 454 E CB 0.738 30.496 29.700 0.098 0.000 1.071 454 E HN 0.177 nan 8.360 nan 0.000 0.457 455 K N -0.048 120.475 120.400 0.206 0.000 2.438 455 K HA 0.193 4.513 4.320 0.000 0.000 0.206 455 K C 0.253 176.987 176.600 0.223 0.000 1.081 455 K CA -0.291 56.110 56.287 0.190 0.000 1.053 455 K CB 0.625 33.192 32.500 0.112 0.000 0.908 455 K HN -0.044 nan 8.250 nan 0.000 0.556 456 F N 1.868 121.834 119.950 0.027 0.000 2.459 456 F HA 0.155 4.683 4.527 0.000 0.000 0.346 456 F C 0.987 176.945 175.800 0.264 0.000 1.128 456 F CA 0.026 58.090 58.000 0.107 0.000 1.268 456 F CB 0.943 39.940 39.000 -0.004 0.000 1.161 456 F HN -0.238 nan 8.300 nan 0.000 0.583 457 S N 2.836 118.753 115.700 0.361 0.000 2.541 457 S HA 0.488 4.958 4.470 0.000 0.000 0.271 457 S C 0.225 174.851 174.600 0.044 0.000 1.133 457 S CA -0.705 57.636 58.200 0.234 0.000 0.876 457 S CB 1.034 64.329 63.200 0.158 0.000 1.105 457 S HN 0.650 nan 8.310 nan 0.000 0.470 458 L N 1.656 122.829 121.223 -0.084 0.000 2.375 458 L HA 0.178 4.518 4.340 0.000 0.000 0.215 458 L C -0.082 176.744 176.870 -0.073 0.000 1.108 458 L CA 0.546 55.207 54.840 -0.299 0.000 0.830 458 L CB -0.041 41.848 42.059 -0.284 0.000 0.959 458 L HN 0.683 nan 8.230 nan 0.000 0.457 459 D N -0.001 120.423 120.400 0.040 0.000 2.441 459 D HA 0.124 4.764 4.640 0.000 0.000 0.221 459 D C 1.139 177.524 176.300 0.142 0.000 1.156 459 D CA -0.250 53.796 54.000 0.076 0.000 0.896 459 D CB 0.544 41.380 40.800 0.061 0.000 1.028 459 D HN 0.036 nan 8.370 nan 0.000 0.509 460 L N 0.634 121.933 121.223 0.127 0.000 2.046 460 L HA -0.161 4.179 4.340 0.000 0.000 0.208 460 L C 1.910 178.862 176.870 0.137 0.000 1.077 460 L CA 1.206 56.142 54.840 0.160 0.000 0.747 460 L CB -0.448 41.715 42.059 0.175 0.000 0.896 460 L HN 0.340 nan 8.230 nan 0.000 0.432 461 D N 0.101 120.548 120.400 0.078 0.000 2.220 461 D HA -0.227 4.413 4.640 0.000 0.000 0.198 461 D C 2.161 178.441 176.300 -0.034 0.000 1.001 461 D CA 1.256 55.270 54.000 0.024 0.000 0.875 461 D CB 0.045 40.848 40.800 0.004 0.000 0.921 461 D HN 0.276 nan 8.370 nan 0.000 0.454 462 Q N -1.095 118.659 119.800 -0.075 0.000 2.488 462 Q HA -0.044 4.296 4.340 0.000 0.000 0.211 462 Q C -0.183 175.441 176.000 -0.627 0.000 0.967 462 Q CA 0.532 56.135 55.803 -0.335 0.000 0.926 462 Q CB 0.139 28.610 28.738 -0.444 0.000 0.992 462 Q HN 0.462 nan 8.270 nan 0.000 0.506 463 Y N -0.356 119.822 120.300 -0.204 0.000 2.499 463 Y HA 0.223 4.774 4.550 0.000 0.000 0.347 463 Y C -1.509 174.321 175.900 -0.117 0.000 0.987 463 Y CA -2.612 55.327 58.100 -0.269 0.000 1.044 463 Y CB 1.158 39.157 38.460 -0.767 0.000 1.245 463 Y HN -0.185 nan 8.280 nan 0.000 0.461 464 P HA -0.257 nan 4.420 nan 0.000 0.213 464 P C 1.741 179.113 177.300 0.119 0.000 1.176 464 P CA 1.697 64.840 63.100 0.072 0.000 0.919 464 P CB 0.548 32.278 31.700 0.051 0.000 0.791 465 L N -0.626 120.691 121.223 0.157 0.000 2.079 465 L HA -0.133 4.207 4.340 0.000 0.000 0.210 465 L C 2.680 179.718 176.870 0.280 0.000 1.081 465 L CA 2.093 57.039 54.840 0.176 0.000 0.752 465 L CB -1.327 40.789 42.059 0.094 0.000 0.896 465 L HN 0.061 nan 8.230 nan 0.000 0.433 466 G N -0.253 108.715 108.800 0.281 0.000 2.491 466 G HA2 -0.313 3.647 3.960 0.000 0.000 0.218 466 G HA3 -0.313 3.647 3.960 0.000 0.000 0.218 466 G C 1.562 176.594 174.900 0.221 0.000 1.180 466 G CA 0.948 46.201 45.100 0.255 0.000 0.774 466 G HN 0.362 nan 8.290 nan 0.000 0.562 467 R N 0.442 121.028 120.500 0.143 0.000 2.070 467 R HA -0.001 4.339 4.340 0.000 0.000 0.233 467 R C 2.669 179.025 176.300 0.092 0.000 1.137 467 R CA 1.490 57.641 56.100 0.085 0.000 0.945 467 R CB -0.338 29.988 30.300 0.044 0.000 0.845 467 R HN 0.280 nan 8.270 nan 0.000 0.430 468 K N -0.054 120.439 120.400 0.155 0.000 2.113 468 K HA -0.216 4.105 4.320 0.000 0.000 0.208 468 K C 1.923 178.630 176.600 0.180 0.000 1.047 468 K CA 1.645 58.056 56.287 0.207 0.000 0.928 468 K CB -0.314 32.375 32.500 0.315 0.000 0.716 468 K HN 0.093 nan 8.250 nan 0.000 0.446 469 F N 1.764 121.755 119.950 0.068 0.000 2.075 469 F HA -0.160 4.367 4.527 0.000 0.000 0.297 469 F C 1.805 177.384 175.800 -0.369 0.000 1.113 469 F CA 1.316 59.136 58.000 -0.299 0.000 1.218 469 F CB -0.406 38.519 39.000 -0.125 0.000 0.984 469 F HN -0.123 nan 8.300 nan 0.000 0.472 470 L N -0.529 120.518 121.223 -0.292 0.000 2.043 470 L HA -0.267 4.073 4.340 0.000 0.000 0.212 470 L C 2.356 179.006 176.870 -0.366 0.000 1.075 470 L CA 1.222 55.846 54.840 -0.360 0.000 0.752 470 L CB -0.962 41.031 42.059 -0.111 0.000 0.891 470 L HN 0.067 nan 8.230 nan 0.000 0.432 471 V N -0.455 119.307 119.914 -0.253 0.000 2.223 471 V HA -0.330 3.790 4.120 0.000 0.000 0.244 471 V C 2.511 178.429 176.094 -0.294 0.000 1.045 471 V CA 2.118 64.295 62.300 -0.204 0.000 1.000 471 V CB -0.758 31.001 31.823 -0.108 0.000 0.635 471 V HN 0.567 nan 8.190 nan 0.000 0.445 472 Q N 0.484 120.048 119.800 -0.394 0.000 2.152 472 Q HA -0.262 4.078 4.340 0.000 0.000 0.206 472 Q C 2.122 177.790 176.000 -0.552 0.000 0.985 472 Q CA 2.499 58.006 55.803 -0.494 0.000 0.863 472 Q CB -0.325 27.924 28.738 -0.815 0.000 0.904 472 Q HN 0.623 nan 8.270 nan 0.000 0.422 473 A N -0.037 122.355 122.820 -0.712 0.000 1.968 473 A HA 0.283 4.603 4.320 0.000 0.000 0.217 473 A C 1.143 178.507 177.584 -0.367 0.000 1.169 473 A CA 1.582 53.248 52.037 -0.619 0.000 0.638 473 A CB -0.549 17.946 19.000 -0.841 0.000 0.812 473 A HN 0.703 nan 8.150 nan 0.000 0.446 474 G N 0.000 108.609 108.800 -0.318 0.000 5.446 474 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 474 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 474 G CA 0.000 44.979 45.100 -0.202 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925