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 3psg_1_A DATA FIRST_RESID 1 DATA SEQUENCE IGDEPLENYL DTEYFGTIGI GTPAQDFTVI FDTGSSNLWV PSVYcSSLAc DATA SEQUENCE SDHNQFNPDD SSTFEATSQE LSITYGTGSM TGILGYDTVQ VGGISDTNQI DATA SEQUENCE FGLSETEPGS FLYYAPFDGI LGLAYPSISA SGATPVFDNL WDQGLVSQDL DATA SEQUENCE FSVYLSXXXX XGSVVLLGGI DSSYYTGSLN WVPVSVEGYW QITLDSITMD DATA SEQUENCE GETIAcSGGc QAIVDTGTSL LTGPTSAIAN IQSDIGASEN SDGEMVIScS DATA SEQUENCE SIDSLPDIVF TIDGVQYPLS PSAYILQDDD ScTSGFEGMD VPTSSGELWI DATA SEQUENCE LGDVFIRQYY TVFDRANNKV GLAPVA 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 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.106 176.117 -0.018 0.000 1.063 1 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 1 I CB 0.000 38.047 38.000 0.078 0.000 1.214 2 G N 3.044 111.831 108.800 -0.022 0.000 2.955 2 G HA2 0.549 4.509 3.960 -0.000 0.000 0.336 2 G HA3 0.549 4.509 3.960 -0.000 0.000 0.336 2 G C 0.098 174.973 174.900 -0.042 0.000 1.264 2 G CA 0.539 45.621 45.100 -0.029 0.000 1.096 2 G HN 1.057 nan 8.290 nan 0.000 0.486 3 D N 0.938 121.301 120.400 -0.062 0.000 2.349 3 D HA 0.015 4.654 4.640 -0.000 0.000 0.214 3 D C 0.039 176.265 176.300 -0.123 0.000 1.063 3 D CA 0.090 54.046 54.000 -0.073 0.000 0.847 3 D CB 0.829 41.592 40.800 -0.061 0.000 0.933 3 D HN 0.249 nan 8.370 nan 0.000 0.513 4 E N 1.412 121.513 120.200 -0.164 0.000 2.795 4 E HA 0.180 4.529 4.350 -0.000 0.000 0.226 4 E C -1.937 174.602 176.600 -0.101 0.000 1.088 4 E CA -1.738 54.497 56.400 -0.274 0.000 0.812 4 E CB 2.033 31.299 29.700 -0.723 0.000 1.328 4 E HN 0.045 nan 8.360 nan 0.000 0.410 5 P HA -0.122 nan 4.420 nan 0.000 0.220 5 P C 0.920 178.376 177.300 0.261 0.000 1.144 5 P CA 0.983 64.147 63.100 0.106 0.000 0.800 5 P CB 0.300 32.038 31.700 0.063 0.000 0.772 6 L N -1.097 120.286 121.223 0.267 0.000 2.818 6 L HA 0.235 4.574 4.340 -0.000 0.000 0.243 6 L C 2.226 179.400 176.870 0.507 0.000 1.185 6 L CA -0.092 55.031 54.840 0.470 0.000 0.988 6 L CB -0.574 41.826 42.059 0.569 0.000 1.292 6 L HN -0.061 nan 8.230 nan 0.000 0.519 7 E N 1.680 122.077 120.200 0.327 0.000 2.114 7 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 7 E C 1.252 178.013 176.600 0.268 0.000 1.008 7 E CA 1.813 58.426 56.400 0.356 0.000 0.810 7 E CB 0.016 29.810 29.700 0.157 0.000 0.739 7 E HN 0.631 nan 8.360 nan 0.000 0.456 8 N N -1.125 117.650 118.700 0.125 0.000 2.609 8 N HA -0.134 4.605 4.740 -0.000 0.000 0.190 8 N C 0.018 175.297 175.510 -0.386 0.000 1.157 8 N CA 0.281 53.252 53.050 -0.133 0.000 0.918 8 N CB 0.095 38.451 38.487 -0.219 0.000 0.978 8 N HN 0.242 nan 8.380 nan 0.000 0.448 9 Y N -0.266 120.119 120.300 0.142 0.000 2.681 9 Y HA 0.286 4.835 4.550 -0.000 0.000 0.267 9 Y C 1.206 177.230 175.900 0.207 0.000 1.166 9 Y CA -0.357 57.813 58.100 0.117 0.000 1.209 9 Y CB 0.054 38.518 38.460 0.008 0.000 1.161 9 Y HN 0.016 nan 8.280 nan 0.000 0.534 10 L N 0.054 121.418 121.223 0.234 0.000 2.079 10 L HA -0.230 4.109 4.340 -0.000 0.000 0.210 10 L C 1.037 177.989 176.870 0.137 0.000 1.081 10 L CA 1.631 56.570 54.840 0.164 0.000 0.752 10 L CB -0.001 42.117 42.059 0.099 0.000 0.896 10 L HN 0.320 nan 8.230 nan 0.000 0.433 11 D N -1.395 119.069 120.400 0.107 0.000 2.368 11 D HA 0.062 4.702 4.640 -0.000 0.000 0.218 11 D C 0.317 176.673 176.300 0.093 0.000 1.112 11 D CA 0.137 54.186 54.000 0.082 0.000 0.834 11 D CB 0.257 41.081 40.800 0.041 0.000 0.953 11 D HN 0.222 nan 8.370 nan 0.000 0.505 12 T N 0.718 115.369 114.554 0.161 0.000 2.901 12 T HA 0.121 4.471 4.350 -0.000 0.000 0.301 12 T C 1.201 175.956 174.700 0.092 0.000 1.012 12 T CA 0.100 62.272 62.100 0.121 0.000 1.135 12 T CB 2.015 71.001 68.868 0.197 0.000 0.936 12 T HN 0.061 nan 8.240 nan 0.000 0.539 13 E N 0.564 120.658 120.200 -0.178 0.000 2.485 13 E HA 0.105 4.455 4.350 -0.000 0.000 0.213 13 E C -0.630 175.459 176.600 -0.852 0.000 0.923 13 E CA 0.093 56.293 56.400 -0.333 0.000 1.054 13 E CB 0.567 30.039 29.700 -0.380 0.000 1.077 13 E HN 0.593 nan 8.360 nan 0.000 0.509 14 Y N -0.206 119.585 120.300 -0.847 0.000 2.360 14 Y HA 0.424 4.974 4.550 -0.001 0.000 0.337 14 Y C -0.441 174.691 175.900 -1.279 0.000 1.039 14 Y CA -0.788 56.856 58.100 -0.761 0.000 1.109 14 Y CB 0.868 39.100 38.460 -0.379 0.000 1.201 14 Y HN -0.193 nan 8.280 nan 0.000 0.458 15 F N 0.388 120.466 119.950 0.212 0.000 2.599 15 F HA 0.808 5.335 4.527 -0.000 0.000 0.311 15 F C 0.396 176.308 175.800 0.187 0.000 1.076 15 F CA -1.289 56.826 58.000 0.192 0.000 0.937 15 F CB 2.081 41.173 39.000 0.153 0.000 1.282 15 F HN 0.515 nan 8.300 nan 0.000 0.460 16 G N -0.507 108.556 108.800 0.439 0.000 2.730 16 G HA2 0.584 4.544 3.960 -0.000 0.000 0.289 16 G HA3 0.584 4.544 3.960 -0.000 0.000 0.289 16 G C -1.674 173.454 174.900 0.380 0.000 1.341 16 G CA -0.852 44.460 45.100 0.354 0.000 0.932 16 G HN 0.624 nan 8.290 nan 0.000 0.481 17 T N -0.607 114.119 114.554 0.286 0.000 2.863 17 T HA 0.675 5.025 4.350 -0.000 0.000 0.285 17 T C -0.381 174.447 174.700 0.213 0.000 1.009 17 T CA -0.543 61.686 62.100 0.216 0.000 0.989 17 T CB 0.766 69.717 68.868 0.137 0.000 1.004 17 T HN 0.793 nan 8.240 nan 0.000 0.455 18 I N 0.696 121.371 120.570 0.174 0.000 3.042 18 I HA 0.965 5.135 4.170 -0.000 0.000 0.310 18 I C -0.038 176.166 176.117 0.144 0.000 1.117 18 I CA -1.389 59.991 61.300 0.134 0.000 1.003 18 I CB 2.246 40.277 38.000 0.051 0.000 1.228 18 I HN 0.732 nan 8.210 nan 0.000 0.443 19 G N 3.256 112.119 108.800 0.104 0.000 2.482 19 G HA2 0.797 4.757 3.960 -0.000 0.000 0.317 19 G HA3 0.797 4.757 3.960 -0.000 0.000 0.317 19 G C -1.158 173.796 174.900 0.092 0.000 1.241 19 G CA -0.790 44.384 45.100 0.124 0.000 0.967 19 G HN 0.615 nan 8.290 nan 0.000 0.482 20 I N 0.966 121.636 120.570 0.166 0.000 2.569 20 I HA 0.681 4.850 4.170 -0.000 0.000 0.290 20 I C 0.557 176.833 176.117 0.265 0.000 1.088 20 I CA -0.340 60.989 61.300 0.048 0.000 1.047 20 I CB 2.019 39.846 38.000 -0.289 0.000 1.237 20 I HN 1.087 nan 8.210 nan 0.000 0.421 21 G N 3.943 112.879 108.800 0.227 0.000 2.685 21 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.387 21 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.387 21 G C -0.704 174.311 174.900 0.193 0.000 1.324 21 G CA -0.818 44.472 45.100 0.318 0.000 0.878 21 G HN 0.605 nan 8.290 nan 0.000 0.527 22 T N 3.316 117.975 114.554 0.175 0.000 2.906 22 T HA 0.660 5.010 4.350 -0.000 0.000 0.302 22 T C -2.314 172.436 174.700 0.084 0.000 1.002 22 T CA -0.493 61.674 62.100 0.112 0.000 0.988 22 T CB 2.490 71.419 68.868 0.102 0.000 0.972 22 T HN 0.661 nan 8.240 nan 0.000 0.447 23 P HA 0.406 nan 4.420 nan 0.000 0.274 23 P C -0.457 176.886 177.300 0.072 0.000 1.246 23 P CA -0.596 62.536 63.100 0.054 0.000 0.795 23 P CB 0.557 32.274 31.700 0.030 0.000 1.006 24 A N 1.707 124.568 122.820 0.070 0.000 2.511 24 A HA 0.083 4.403 4.320 -0.000 0.000 0.242 24 A C 0.255 177.882 177.584 0.072 0.000 1.069 24 A CA 0.134 52.225 52.037 0.091 0.000 0.763 24 A CB -0.580 18.463 19.000 0.071 0.000 1.001 24 A HN 0.510 nan 8.150 nan 0.000 0.498 25 Q N 1.549 121.430 119.800 0.135 0.000 2.293 25 Q HA 0.315 4.655 4.340 -0.000 0.000 0.261 25 Q C -1.085 174.873 176.000 -0.069 0.000 0.960 25 Q CA -0.732 55.090 55.803 0.031 0.000 0.882 25 Q CB 1.660 30.496 28.738 0.163 0.000 1.275 25 Q HN 0.716 nan 8.270 nan 0.000 0.445 26 D N 1.761 121.985 120.400 -0.293 0.000 2.294 26 D HA 0.494 5.134 4.640 -0.000 0.000 0.250 26 D C -0.721 175.160 176.300 -0.699 0.000 1.058 26 D CA 0.152 53.997 54.000 -0.258 0.000 0.950 26 D CB 0.969 41.682 40.800 -0.144 0.000 1.158 26 D HN 0.259 nan 8.370 nan 0.000 0.453 27 F N -0.674 119.282 119.950 0.010 0.000 2.619 27 F HA 0.209 4.736 4.527 -0.001 0.000 0.308 27 F C 0.248 176.056 175.800 0.014 0.000 1.097 27 F CA -0.849 57.153 58.000 0.002 0.000 0.953 27 F CB 1.894 40.872 39.000 -0.037 0.000 1.287 27 F HN -0.098 nan 8.300 nan 0.000 0.446 28 T N 3.267 117.941 114.554 0.200 0.000 2.771 28 T HA 0.621 4.971 4.350 -0.000 0.000 0.291 28 T C -0.440 174.364 174.700 0.173 0.000 0.954 28 T CA -0.504 61.701 62.100 0.174 0.000 1.045 28 T CB 0.888 69.823 68.868 0.112 0.000 0.917 28 T HN 0.553 nan 8.240 nan 0.000 0.484 29 V N 1.298 121.315 119.914 0.171 0.000 3.102 29 V HA 0.699 4.819 4.120 -0.000 0.000 0.312 29 V C -0.622 175.541 176.094 0.116 0.000 1.135 29 V CA -1.395 60.916 62.300 0.017 0.000 1.022 29 V CB 1.720 33.388 31.823 -0.259 0.000 1.056 29 V HN 0.792 nan 8.190 nan 0.000 0.436 30 I N 1.988 122.498 120.570 -0.101 0.000 2.342 30 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 30 I C -0.823 175.174 176.117 -0.200 0.000 1.010 30 I CA -0.045 61.204 61.300 -0.085 0.000 1.308 30 I CB 1.025 38.815 38.000 -0.351 0.000 1.400 30 I HN 0.519 nan 8.210 nan 0.000 0.488 31 F N 4.472 124.347 119.950 -0.124 0.000 2.423 31 F HA 0.148 4.674 4.527 -0.000 0.000 0.356 31 F C 0.478 176.199 175.800 -0.132 0.000 1.170 31 F CA -0.432 57.481 58.000 -0.145 0.000 1.163 31 F CB -0.024 38.882 39.000 -0.156 0.000 1.318 31 F HN 0.362 nan 8.300 nan 0.000 0.569 32 D N 1.971 122.350 120.400 -0.036 0.000 2.428 32 D HA 0.088 4.728 4.640 -0.000 0.000 0.221 32 D C 1.196 177.538 176.300 0.070 0.000 1.123 32 D CA -0.198 53.825 54.000 0.038 0.000 0.869 32 D CB 0.962 41.798 40.800 0.061 0.000 1.032 32 D HN 0.515 nan 8.370 nan 0.000 0.506 33 T N 0.046 114.640 114.554 0.067 0.000 3.163 33 T HA 0.059 4.408 4.350 -0.000 0.000 0.260 33 T C 1.491 176.388 174.700 0.329 0.000 1.156 33 T CA 0.251 62.439 62.100 0.147 0.000 1.072 33 T CB 0.092 68.950 68.868 -0.017 0.000 0.937 33 T HN 0.318 nan 8.240 nan 0.000 0.528 34 G N 0.872 109.848 108.800 0.293 0.000 3.434 34 G HA2 0.464 4.423 3.960 -0.000 0.000 0.258 34 G HA3 0.464 4.423 3.960 -0.000 0.000 0.258 34 G C 0.157 175.323 174.900 0.444 0.000 1.128 34 G CA 0.015 45.362 45.100 0.412 0.000 0.792 34 G HN 0.761 nan 8.290 nan 0.000 0.539 35 S N -2.294 113.601 115.700 0.325 0.000 2.625 35 S HA 0.641 5.111 4.470 -0.000 0.000 0.271 35 S C 0.051 174.763 174.600 0.185 0.000 1.161 35 S CA -0.244 58.141 58.200 0.308 0.000 0.820 35 S CB 1.772 65.276 63.200 0.506 0.000 1.137 35 S HN -0.087 nan 8.310 nan 0.000 0.470 36 S N 0.102 115.893 115.700 0.152 0.000 2.649 36 S HA 0.344 4.813 4.470 -0.000 0.000 0.246 36 S C -0.020 174.630 174.600 0.084 0.000 1.057 36 S CA -0.320 57.934 58.200 0.091 0.000 1.051 36 S CB -0.232 62.999 63.200 0.052 0.000 1.018 36 S HN 0.722 nan 8.310 nan 0.000 0.569 37 N N 1.459 120.236 118.700 0.128 0.000 2.515 37 N HA 0.512 5.252 4.740 -0.000 0.000 0.279 37 N C -1.034 174.542 175.510 0.109 0.000 1.164 37 N CA -0.468 52.663 53.050 0.135 0.000 0.982 37 N CB 0.814 39.419 38.487 0.196 0.000 1.170 37 N HN 0.067 nan 8.380 nan 0.000 0.474 38 L N 3.400 124.669 121.223 0.078 0.000 2.307 38 L HA 0.661 5.001 4.340 -0.000 0.000 0.284 38 L C -1.431 175.507 176.870 0.114 0.000 1.023 38 L CA -0.541 54.287 54.840 -0.020 0.000 0.810 38 L CB 0.240 42.272 42.059 -0.046 0.000 1.231 38 L HN 0.622 nan 8.230 nan 0.000 0.423 39 W N 5.577 126.864 121.300 -0.023 0.000 3.248 39 W HA 0.712 5.372 4.660 -0.001 0.000 0.311 39 W C -1.935 174.545 176.519 -0.065 0.000 1.258 39 W CA -0.869 56.476 57.345 -0.000 0.000 1.191 39 W CB 0.666 30.132 29.460 0.009 0.000 1.389 39 W HN 0.623 nan 8.180 nan 0.000 0.561 40 V N -1.861 118.158 119.914 0.176 0.000 3.181 40 V HA 0.754 4.873 4.120 -0.000 0.000 0.308 40 V C -2.947 173.326 176.094 0.299 0.000 1.214 40 V CA -2.936 59.328 62.300 -0.060 0.000 1.053 40 V CB 1.740 33.157 31.823 -0.678 0.000 1.069 40 V HN 0.335 nan 8.190 nan 0.000 0.441 41 P HA 0.350 nan 4.420 nan 0.000 0.279 41 P C -0.349 177.097 177.300 0.242 0.000 1.239 41 P CA 0.156 63.424 63.100 0.280 0.000 0.789 41 P CB 1.203 33.049 31.700 0.243 0.000 0.933 42 S N 1.451 117.268 115.700 0.195 0.000 2.601 42 S HA 0.126 4.596 4.470 -0.000 0.000 0.271 42 S C 1.489 176.117 174.600 0.046 0.000 1.305 42 S CA -0.684 57.607 58.200 0.151 0.000 1.022 42 S CB 0.157 63.448 63.200 0.153 0.000 0.940 42 S HN 0.255 nan 8.310 nan 0.000 0.525 43 V N 2.751 122.579 119.914 -0.145 0.000 2.720 43 V HA -0.064 4.056 4.120 -0.000 0.000 0.256 43 V C 1.503 177.471 176.094 -0.209 0.000 1.082 43 V CA 1.254 63.414 62.300 -0.232 0.000 1.101 43 V CB -1.628 29.937 31.823 -0.430 0.000 0.693 43 V HN 0.903 nan 8.190 nan 0.000 0.479 44 Y N 0.114 120.446 120.300 0.052 0.000 2.571 44 Y HA 0.180 4.730 4.550 -0.000 0.000 0.294 44 Y C 1.966 177.891 175.900 0.042 0.000 1.141 44 Y CA -0.643 57.480 58.100 0.039 0.000 1.308 44 Y CB -1.078 37.401 38.460 0.032 0.000 1.002 44 Y HN 0.362 nan 8.280 nan 0.000 0.551 45 c N 2.371 121.068 118.600 0.161 0.000 2.693 45 c HA 0.084 4.653 4.570 -0.000 0.000 0.393 45 c C 1.855 176.008 174.090 0.105 0.000 1.348 45 c CA 0.374 56.775 56.329 0.120 0.000 1.508 45 c CB -1.678 40.896 42.510 0.108 0.000 2.295 45 c HN 0.580 nan 8.230 nan 0.000 0.605 46 S N 3.499 119.257 115.700 0.097 0.000 2.470 46 S HA -0.017 4.452 4.470 -0.000 0.000 0.225 46 S C 1.040 175.679 174.600 0.065 0.000 1.006 46 S CA 0.638 58.886 58.200 0.079 0.000 0.934 46 S CB -0.378 62.863 63.200 0.069 0.000 0.778 46 S HN 0.969 nan 8.310 nan 0.000 0.517 47 S N 1.044 116.782 115.700 0.063 0.000 2.554 47 S HA 0.091 4.561 4.470 -0.000 0.000 0.290 47 S C 1.184 175.827 174.600 0.072 0.000 1.309 47 S CA -0.399 57.836 58.200 0.058 0.000 1.047 47 S CB 0.002 63.235 63.200 0.056 0.000 0.828 47 S HN 0.422 nan 8.310 nan 0.000 0.509 48 L N 3.973 125.231 121.223 0.057 0.000 2.079 48 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 48 L C 2.861 179.822 176.870 0.151 0.000 1.081 48 L CA 1.724 56.602 54.840 0.065 0.000 0.752 48 L CB -0.851 41.202 42.059 -0.010 0.000 0.896 48 L HN 0.894 nan 8.230 nan 0.000 0.433 49 A N -1.524 121.386 122.820 0.149 0.000 2.067 49 A HA -0.187 4.132 4.320 -0.000 0.000 0.219 49 A C 2.250 179.984 177.584 0.250 0.000 1.158 49 A CA 1.490 53.667 52.037 0.234 0.000 0.661 49 A CB -0.937 18.163 19.000 0.167 0.000 0.801 49 A HN 0.559 nan 8.150 nan 0.000 0.452 50 c N -0.643 118.068 118.600 0.184 0.000 2.539 50 c HA 0.046 4.616 4.570 -0.000 0.000 0.268 50 c C 3.199 177.403 174.090 0.191 0.000 1.395 50 c CA 0.674 57.111 56.329 0.180 0.000 1.757 50 c CB -1.141 41.445 42.510 0.126 0.000 1.851 50 c HN 0.791 nan 8.230 nan 0.000 0.545 51 S N 1.151 116.948 115.700 0.163 0.000 2.370 51 S HA -0.209 4.261 4.470 -0.000 0.000 0.226 51 S C 0.669 175.259 174.600 -0.016 0.000 1.033 51 S CA 2.047 60.304 58.200 0.094 0.000 1.011 51 S CB -0.316 62.954 63.200 0.116 0.000 0.852 51 S HN 0.642 nan 8.310 nan 0.000 0.457 52 D N 0.772 121.071 120.400 -0.169 0.000 2.892 52 D HA 0.338 4.978 4.640 -0.000 0.000 0.291 52 D C -0.386 175.666 176.300 -0.414 0.000 1.341 52 D CA -0.274 53.551 54.000 -0.292 0.000 0.844 52 D CB 0.259 40.831 40.800 -0.380 0.000 1.093 52 D HN 0.428 nan 8.370 nan 0.000 0.480 53 H N -0.393 118.618 119.070 -0.099 0.000 2.710 53 H HA 0.377 4.933 4.556 -0.001 0.000 0.361 53 H C -0.006 175.305 175.328 -0.029 0.000 1.175 53 H CA -0.752 55.255 56.048 -0.069 0.000 1.206 53 H CB 1.238 30.986 29.762 -0.023 0.000 1.750 53 H HN 0.054 nan 8.280 nan 0.000 0.553 54 N N 0.984 119.753 118.700 0.114 0.000 2.518 54 N HA 0.123 4.863 4.740 -0.000 0.000 0.266 54 N C -0.484 175.179 175.510 0.255 0.000 1.196 54 N CA 0.068 53.119 53.050 0.002 0.000 0.947 54 N CB 0.976 39.289 38.487 -0.290 0.000 1.098 54 N HN 0.317 nan 8.380 nan 0.000 0.450 55 Q N 0.973 120.914 119.800 0.235 0.000 2.394 55 Q HA 0.362 4.702 4.340 -0.000 0.000 0.273 55 Q C -1.380 174.899 176.000 0.464 0.000 1.089 55 Q CA -0.814 55.220 55.803 0.385 0.000 0.812 55 Q CB 2.203 31.043 28.738 0.169 0.000 1.353 55 Q HN 0.498 nan 8.270 nan 0.000 0.438 56 F N 2.426 122.591 119.950 0.358 0.000 2.410 56 F HA 0.284 4.810 4.527 -0.000 0.000 0.348 56 F C -0.226 175.579 175.800 0.008 0.000 1.106 56 F CA -0.376 57.800 58.000 0.294 0.000 1.163 56 F CB 0.678 39.796 39.000 0.196 0.000 1.129 56 F HN 0.414 nan 8.300 nan 0.000 0.516 57 N N 8.120 126.399 118.700 -0.702 0.000 2.501 57 N HA 0.341 5.081 4.740 -0.000 0.000 0.245 57 N C -2.205 172.659 175.510 -1.076 0.000 0.974 57 N CA -2.476 50.155 53.050 -0.698 0.000 0.941 57 N CB 1.665 39.901 38.487 -0.417 0.000 1.122 57 N HN 0.253 nan 8.380 nan 0.000 0.507 58 P HA -0.029 nan 4.420 nan 0.000 0.220 58 P C 0.382 177.445 177.300 -0.395 0.000 1.148 58 P CA 0.915 63.469 63.100 -0.910 0.000 0.803 58 P CB 0.521 31.658 31.700 -0.938 0.000 0.782 59 D N -0.602 119.640 120.400 -0.264 0.000 2.219 59 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 59 D C 1.071 177.309 176.300 -0.103 0.000 0.970 59 D CA 1.012 54.951 54.000 -0.102 0.000 0.851 59 D CB -0.568 40.196 40.800 -0.061 0.000 0.943 59 D HN 0.153 nan 8.370 nan 0.000 0.488 60 D N -0.449 119.835 120.400 -0.194 0.000 2.355 60 D HA -0.009 4.631 4.640 -0.000 0.000 0.218 60 D C 0.191 176.445 176.300 -0.077 0.000 1.004 60 D CA 0.371 54.289 54.000 -0.136 0.000 0.880 60 D CB 0.154 40.850 40.800 -0.173 0.000 0.911 60 D HN -0.086 nan 8.370 nan 0.000 0.528 61 S N -0.307 115.360 115.700 -0.054 0.000 2.474 61 S HA 0.223 4.692 4.470 -0.000 0.000 0.321 61 S C 1.214 175.909 174.600 0.160 0.000 1.080 61 S CA -0.613 57.642 58.200 0.091 0.000 1.106 61 S CB 0.955 64.295 63.200 0.233 0.000 0.984 61 S HN 0.076 nan 8.310 nan 0.000 0.464 62 S N 2.888 118.666 115.700 0.132 0.000 2.515 62 S HA -0.071 4.398 4.470 -0.000 0.000 0.231 62 S C 1.359 176.053 174.600 0.157 0.000 0.987 62 S CA 1.006 59.282 58.200 0.126 0.000 0.936 62 S CB -0.581 62.669 63.200 0.084 0.000 0.766 62 S HN 0.819 nan 8.310 nan 0.000 0.528 63 T N -1.755 112.920 114.554 0.203 0.000 3.069 63 T HA 0.332 4.682 4.350 -0.000 0.000 0.252 63 T C 0.090 174.956 174.700 0.277 0.000 1.053 63 T CA -0.631 61.587 62.100 0.197 0.000 0.964 63 T CB -0.568 68.400 68.868 0.166 0.000 1.005 63 T HN 0.305 nan 8.240 nan 0.000 0.532 64 F N 2.919 122.996 119.950 0.212 0.000 2.471 64 F HA 0.440 4.967 4.527 -0.001 0.000 0.353 64 F C 0.349 176.276 175.800 0.211 0.000 1.113 64 F CA -0.953 57.214 58.000 0.277 0.000 1.262 64 F CB 0.581 39.791 39.000 0.349 0.000 1.146 64 F HN 0.127 nan 8.300 nan 0.000 0.578 65 E N 5.027 124.797 120.200 -0.717 0.000 2.244 65 E HA 0.571 4.920 4.350 -0.000 0.000 0.260 65 E C -1.343 174.784 176.600 -0.787 0.000 0.884 65 E CA -0.994 55.102 56.400 -0.507 0.000 0.777 65 E CB 1.316 30.917 29.700 -0.165 0.000 1.197 65 E HN 0.867 nan 8.360 nan 0.000 0.416 66 A N 2.983 125.502 122.820 -0.502 0.000 2.366 66 A HA 0.532 4.851 4.320 -0.000 0.000 0.249 66 A C 0.271 177.807 177.584 -0.080 0.000 1.084 66 A CA 0.206 52.119 52.037 -0.207 0.000 0.794 66 A CB 0.844 19.908 19.000 0.106 0.000 1.034 66 A HN 0.671 nan 8.150 nan 0.000 0.491 67 T N -3.180 111.350 114.554 -0.041 0.000 2.865 67 T HA 0.662 5.011 4.350 -0.000 0.000 0.294 67 T C 0.486 175.185 174.700 -0.002 0.000 1.119 67 T CA 0.207 62.300 62.100 -0.012 0.000 1.007 67 T CB 1.281 70.136 68.868 -0.020 0.000 1.225 67 T HN 1.235 nan 8.240 nan 0.000 0.515 68 S N -0.214 115.485 115.700 -0.001 0.000 2.540 68 S HA 0.302 4.771 4.470 -0.000 0.000 0.218 68 S C 0.727 175.319 174.600 -0.013 0.000 0.977 68 S CA -0.352 57.848 58.200 -0.001 0.000 0.918 68 S CB -0.372 62.830 63.200 0.002 0.000 0.806 68 S HN 0.735 nan 8.310 nan 0.000 0.496 69 Q N 1.791 121.575 119.800 -0.026 0.000 2.313 69 Q HA 0.492 4.832 4.340 -0.000 0.000 0.266 69 Q C 0.281 176.252 176.000 -0.048 0.000 0.989 69 Q CA 0.007 55.788 55.803 -0.037 0.000 0.890 69 Q CB 0.473 29.183 28.738 -0.046 0.000 1.200 69 Q HN 0.554 nan 8.270 nan 0.000 0.396 70 E N 2.115 122.289 120.200 -0.043 0.000 2.319 70 E HA 0.437 4.787 4.350 -0.000 0.000 0.268 70 E C -1.243 175.319 176.600 -0.063 0.000 1.050 70 E CA -0.637 55.733 56.400 -0.049 0.000 0.878 70 E CB 0.947 30.623 29.700 -0.041 0.000 1.066 70 E HN 0.482 nan 8.360 nan 0.000 0.406 71 L N 1.169 122.349 121.223 -0.072 0.000 2.322 71 L HA 0.632 4.972 4.340 -0.000 0.000 0.281 71 L C -0.203 176.608 176.870 -0.098 0.000 1.014 71 L CA -0.321 54.468 54.840 -0.085 0.000 0.815 71 L CB 2.408 44.413 42.059 -0.090 0.000 1.247 71 L HN 0.392 nan 8.230 nan 0.000 0.421 72 S N 5.520 121.158 115.700 -0.104 0.000 2.669 72 S HA 0.686 5.156 4.470 -0.000 0.000 0.315 72 S C -0.719 173.785 174.600 -0.160 0.000 1.106 72 S CA -0.563 57.565 58.200 -0.120 0.000 1.107 72 S CB -0.098 63.046 63.200 -0.093 0.000 0.990 72 S HN 0.464 nan 8.310 nan 0.000 0.471 73 I N 2.930 123.367 120.570 -0.222 0.000 2.412 73 I HA 0.666 4.836 4.170 -0.000 0.000 0.296 73 I C 0.236 176.152 176.117 -0.335 0.000 0.987 73 I CA -0.512 60.601 61.300 -0.311 0.000 1.180 73 I CB 1.980 39.734 38.000 -0.409 0.000 1.340 73 I HN 0.381 nan 8.210 nan 0.000 0.455 74 T N 4.008 118.318 114.554 -0.407 0.000 2.971 74 T HA 0.516 4.865 4.350 -0.000 0.000 0.304 74 T C -0.899 173.535 174.700 -0.443 0.000 1.038 74 T CA -0.264 61.651 62.100 -0.309 0.000 1.007 74 T CB 0.583 69.367 68.868 -0.141 0.000 1.055 74 T HN 0.463 nan 8.240 nan 0.000 0.451 75 Y N 2.729 123.092 120.300 0.104 0.000 2.720 75 Y HA 0.441 4.991 4.550 -0.000 0.000 0.277 75 Y C 1.719 177.671 175.900 0.087 0.000 1.144 75 Y CA -0.123 58.065 58.100 0.146 0.000 1.221 75 Y CB 0.530 39.144 38.460 0.257 0.000 1.163 75 Y HN 1.019 nan 8.280 nan 0.000 0.537 76 G N 0.412 109.288 108.800 0.127 0.000 2.176 76 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.253 76 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.253 76 G C 0.619 175.559 174.900 0.066 0.000 0.979 76 G CA 0.622 45.770 45.100 0.080 0.000 0.641 76 G HN 0.530 nan 8.290 nan 0.000 0.530 77 T N -2.667 111.939 114.554 0.086 0.000 3.571 77 T HA 0.683 5.033 4.350 -0.000 0.000 0.292 77 T C 0.825 175.542 174.700 0.028 0.000 0.994 77 T CA 0.985 63.118 62.100 0.054 0.000 0.996 77 T CB 0.741 69.648 68.868 0.065 0.000 1.185 77 T HN 2.334 nan 8.240 nan 0.000 0.482 78 G N 0.513 109.322 108.800 0.014 0.000 2.459 78 G HA2 0.286 4.245 3.960 -0.000 0.000 0.685 78 G HA3 0.286 4.245 3.960 -0.000 0.000 0.685 78 G C -0.933 173.954 174.900 -0.022 0.000 1.303 78 G CA -0.628 44.465 45.100 -0.011 0.000 0.907 78 G HN 0.542 nan 8.290 nan 0.000 0.632 79 S N -0.101 115.571 115.700 -0.048 0.000 2.607 79 S HA 0.841 5.311 4.470 -0.000 0.000 0.303 79 S C 0.155 174.693 174.600 -0.102 0.000 1.086 79 S CA -0.590 57.560 58.200 -0.083 0.000 0.995 79 S CB 1.641 64.789 63.200 -0.087 0.000 1.084 79 S HN 0.650 nan 8.310 nan 0.000 0.507 80 M N 1.717 121.221 119.600 -0.161 0.000 2.364 80 M HA 0.403 4.883 4.480 -0.000 0.000 0.334 80 M C -0.780 175.412 176.300 -0.181 0.000 1.107 80 M CA -0.291 54.891 55.300 -0.197 0.000 0.988 80 M CB 2.082 34.478 32.600 -0.340 0.000 1.673 80 M HN 0.512 nan 8.290 nan 0.000 0.441 81 T N 1.883 116.356 114.554 -0.134 0.000 2.855 81 T HA 0.835 5.185 4.350 -0.000 0.000 0.281 81 T C -0.121 174.527 174.700 -0.087 0.000 1.007 81 T CA -0.488 61.550 62.100 -0.103 0.000 1.009 81 T CB 1.706 70.531 68.868 -0.071 0.000 0.983 81 T HN 0.904 nan 8.240 nan 0.000 0.455 82 G N 1.379 110.133 108.800 -0.076 0.000 2.650 82 G HA2 0.651 4.610 3.960 -0.000 0.000 0.310 82 G HA3 0.651 4.610 3.960 -0.000 0.000 0.310 82 G C -2.083 172.794 174.900 -0.038 0.000 1.270 82 G CA -0.462 44.611 45.100 -0.044 0.000 0.810 82 G HN 0.646 nan 8.290 nan 0.000 0.493 83 I N -0.281 120.273 120.570 -0.027 0.000 2.689 83 I HA 0.628 4.797 4.170 -0.000 0.000 0.299 83 I C -0.620 175.435 176.117 -0.103 0.000 1.059 83 I CA -1.026 60.252 61.300 -0.037 0.000 1.055 83 I CB 2.061 40.074 38.000 0.022 0.000 1.243 83 I HN 0.412 nan 8.210 nan 0.000 0.425 84 L N 5.470 126.610 121.223 -0.139 0.000 2.312 84 L HA 0.798 5.138 4.340 -0.000 0.000 0.281 84 L C 0.371 177.053 176.870 -0.313 0.000 1.070 84 L CA -0.213 54.471 54.840 -0.259 0.000 0.805 84 L CB 1.161 43.072 42.059 -0.246 0.000 1.174 84 L HN 0.740 nan 8.230 nan 0.000 0.434 85 G N 1.168 109.648 108.800 -0.534 0.000 2.725 85 G HA2 0.599 4.559 3.960 -0.000 0.000 0.288 85 G HA3 0.599 4.559 3.960 -0.000 0.000 0.288 85 G C -2.117 172.429 174.900 -0.590 0.000 1.399 85 G CA -0.374 44.425 45.100 -0.502 0.000 0.859 85 G HN 0.273 nan 8.290 nan 0.000 0.479 86 Y N -0.160 119.965 120.300 -0.292 0.000 2.429 86 Y HA 0.683 5.233 4.550 -0.000 0.000 0.342 86 Y C 0.087 176.099 175.900 0.187 0.000 1.004 86 Y CA -0.340 57.762 58.100 0.003 0.000 1.075 86 Y CB 2.775 41.199 38.460 -0.059 0.000 1.214 86 Y HN 0.534 nan 8.280 nan 0.000 0.455 87 D N -0.820 119.876 120.400 0.493 0.000 2.779 87 D HA 0.237 4.876 4.640 -0.000 0.000 0.331 87 D C -1.429 174.988 176.300 0.194 0.000 1.331 87 D CA -0.489 53.735 54.000 0.373 0.000 0.866 87 D CB 2.213 43.308 40.800 0.491 0.000 1.409 87 D HN 0.392 nan 8.370 nan 0.000 0.486 88 T N 0.592 115.228 114.554 0.136 0.000 2.767 88 T HA 0.498 4.847 4.350 -0.000 0.000 0.288 88 T C -0.184 174.518 174.700 0.003 0.000 0.963 88 T CA -0.395 61.748 62.100 0.070 0.000 1.019 88 T CB 1.025 69.940 68.868 0.078 0.000 0.923 88 T HN 0.095 nan 8.240 nan 0.000 0.468 89 V N 4.093 123.985 119.914 -0.036 0.000 2.398 89 V HA 0.359 4.479 4.120 -0.000 0.000 0.286 89 V C 0.038 176.125 176.094 -0.012 0.000 1.026 89 V CA -0.821 61.431 62.300 -0.080 0.000 0.868 89 V CB 1.544 33.281 31.823 -0.144 0.000 0.982 89 V HN 0.704 nan 8.190 nan 0.000 0.443 90 Q N 3.387 123.192 119.800 0.010 0.000 2.322 90 Q HA 0.561 4.900 4.340 -0.000 0.000 0.256 90 Q C -0.934 175.099 176.000 0.056 0.000 0.960 90 Q CA 0.135 55.961 55.803 0.039 0.000 0.934 90 Q CB 1.555 30.322 28.738 0.049 0.000 1.200 90 Q HN 0.644 nan 8.270 nan 0.000 0.435 91 V N 3.925 123.880 119.914 0.070 0.000 2.532 91 V HA 0.641 4.760 4.120 -0.000 0.000 0.294 91 V C 0.273 176.427 176.094 0.101 0.000 1.036 91 V CA 0.458 62.823 62.300 0.109 0.000 0.876 91 V CB 1.126 33.028 31.823 0.132 0.000 1.012 91 V HN 0.915 nan 8.190 nan 0.000 0.432 92 G N 4.578 113.433 108.800 0.091 0.000 2.221 92 G HA2 0.044 4.004 3.960 -0.000 0.000 0.265 92 G HA3 0.044 4.004 3.960 -0.000 0.000 0.265 92 G C 1.471 176.409 174.900 0.064 0.000 1.041 92 G CA 1.014 46.155 45.100 0.068 0.000 0.807 92 G HN 2.575 nan 8.290 nan 0.000 0.502 93 G N -1.632 107.203 108.800 0.060 0.000 2.225 93 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 93 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 93 G C 0.519 175.449 174.900 0.050 0.000 0.988 93 G CA 0.585 45.716 45.100 0.051 0.000 0.625 93 G HN 1.387 nan 8.290 nan 0.000 0.527 94 I N 1.526 122.130 120.570 0.057 0.000 2.532 94 I HA 0.446 4.616 4.170 -0.000 0.000 0.292 94 I C 0.376 176.519 176.117 0.043 0.000 1.014 94 I CA -0.468 60.862 61.300 0.050 0.000 1.340 94 I CB 1.739 39.773 38.000 0.057 0.000 1.422 94 I HN 0.020 nan 8.210 nan 0.000 0.528 95 S N 3.173 118.894 115.700 0.035 0.000 2.415 95 S HA 0.097 4.567 4.470 -0.000 0.000 0.313 95 S C -0.325 174.292 174.600 0.027 0.000 1.067 95 S CA -0.444 57.775 58.200 0.032 0.000 1.099 95 S CB 0.117 63.336 63.200 0.032 0.000 0.991 95 S HN 0.532 nan 8.310 nan 0.000 0.491 96 D N 3.800 124.215 120.400 0.026 0.000 2.453 96 D HA 0.131 4.771 4.640 -0.000 0.000 0.223 96 D C 0.715 177.033 176.300 0.030 0.000 1.183 96 D CA -0.284 53.729 54.000 0.022 0.000 0.933 96 D CB 0.131 40.942 40.800 0.018 0.000 1.038 96 D HN 0.458 nan 8.370 nan 0.000 0.513 97 T N 1.085 115.657 114.554 0.030 0.000 2.828 97 T HA 0.197 4.547 4.350 -0.000 0.000 0.290 97 T C 0.601 175.338 174.700 0.062 0.000 1.019 97 T CA -0.656 61.470 62.100 0.043 0.000 1.031 97 T CB 0.213 69.096 68.868 0.026 0.000 1.001 97 T HN 0.535 nan 8.240 nan 0.000 0.531 98 N N -0.534 118.217 118.700 0.085 0.000 2.727 98 N HA -0.196 4.544 4.740 -0.000 0.000 0.249 98 N C -0.641 175.039 175.510 0.283 0.000 1.048 98 N CA 0.477 53.600 53.050 0.121 0.000 0.714 98 N CB -0.968 37.507 38.487 -0.020 0.000 0.959 98 N HN 0.795 nan 8.380 nan 0.000 0.544 99 Q N 1.269 121.226 119.800 0.262 0.000 2.294 99 Q HA 0.475 4.814 4.340 -0.000 0.000 0.257 99 Q C -0.391 175.769 176.000 0.265 0.000 0.955 99 Q CA -0.393 55.542 55.803 0.220 0.000 0.936 99 Q CB 0.778 29.572 28.738 0.093 0.000 1.188 99 Q HN 0.444 nan 8.270 nan 0.000 0.420 100 I N 5.865 126.484 120.570 0.081 0.000 2.529 100 I HA 0.401 4.571 4.170 -0.000 0.000 0.284 100 I C -0.974 175.145 176.117 0.004 0.000 1.082 100 I CA -0.370 60.748 61.300 -0.304 0.000 1.406 100 I CB 0.156 37.807 38.000 -0.582 0.000 1.405 100 I HN 0.747 nan 8.210 nan 0.000 0.548 101 F N 5.431 125.241 119.950 -0.233 0.000 2.711 101 F HA 0.842 5.368 4.527 -0.000 0.000 0.313 101 F C -0.485 175.256 175.800 -0.098 0.000 1.141 101 F CA -1.103 56.810 58.000 -0.145 0.000 0.941 101 F CB 0.676 39.573 39.000 -0.171 0.000 1.349 101 F HN 0.415 nan 8.300 nan 0.000 0.464 102 G N 1.082 109.868 108.800 -0.023 0.000 2.400 102 G HA2 0.630 4.590 3.960 -0.000 0.000 0.333 102 G HA3 0.630 4.590 3.960 -0.000 0.000 0.333 102 G C -2.077 172.820 174.900 -0.004 0.000 1.143 102 G CA -0.930 44.118 45.100 -0.086 0.000 0.914 102 G HN 0.580 nan 8.290 nan 0.000 0.480 103 L N 1.824 123.006 121.223 -0.069 0.000 2.294 103 L HA 0.408 4.748 4.340 -0.000 0.000 0.283 103 L C 0.790 177.705 176.870 0.075 0.000 1.015 103 L CA -0.600 54.272 54.840 0.054 0.000 0.831 103 L CB 1.560 43.655 42.059 0.059 0.000 1.217 103 L HN 0.548 nan 8.230 nan 0.000 0.420 104 S N 2.054 117.825 115.700 0.119 0.000 2.523 104 S HA 0.372 4.841 4.470 -0.000 0.000 0.275 104 S C 0.534 175.165 174.600 0.051 0.000 1.281 104 S CA -0.264 57.945 58.200 0.015 0.000 1.050 104 S CB 0.929 64.049 63.200 -0.132 0.000 0.937 104 S HN 0.733 nan 8.310 nan 0.000 0.492 105 E N 1.903 122.118 120.200 0.024 0.000 2.453 105 E HA 0.104 4.453 4.350 -0.000 0.000 0.211 105 E C 0.572 177.191 176.600 0.031 0.000 0.897 105 E CA 0.275 56.711 56.400 0.060 0.000 1.063 105 E CB 0.656 30.403 29.700 0.079 0.000 1.080 105 E HN 0.866 nan 8.360 nan 0.000 0.512 106 T N -0.465 114.083 114.554 -0.010 0.000 2.849 106 T HA 0.205 4.555 4.350 -0.000 0.000 0.276 106 T C 0.386 175.076 174.700 -0.017 0.000 0.971 106 T CA -0.894 61.198 62.100 -0.013 0.000 0.949 106 T CB 0.962 69.811 68.868 -0.032 0.000 1.093 106 T HN -0.221 nan 8.240 nan 0.000 0.545 107 E N 2.750 122.944 120.200 -0.010 0.000 2.752 107 E HA 0.022 4.372 4.350 -0.000 0.000 0.241 107 E C -1.480 175.109 176.600 -0.018 0.000 1.016 107 E CA -0.803 55.594 56.400 -0.004 0.000 0.952 107 E CB 0.370 30.068 29.700 -0.003 0.000 0.921 107 E HN 0.490 nan 8.360 nan 0.000 0.515 108 P HA 0.105 nan 4.420 nan 0.000 0.262 108 P C 0.360 177.677 177.300 0.027 0.000 1.304 108 P CA 0.230 63.324 63.100 -0.010 0.000 0.859 108 P CB 0.611 32.316 31.700 0.009 0.000 1.310 109 G N 0.131 108.944 108.800 0.022 0.000 2.690 109 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.686 109 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.686 109 G C 0.692 175.659 174.900 0.111 0.000 1.277 109 G CA -0.223 44.886 45.100 0.015 0.000 0.799 109 G HN -0.039 nan 8.290 nan 0.000 0.613 110 S N 0.128 115.914 115.700 0.144 0.000 2.447 110 S HA 0.000 4.470 4.470 -0.000 0.000 0.233 110 S C 2.036 176.951 174.600 0.526 0.000 1.006 110 S CA 1.767 60.136 58.200 0.280 0.000 0.957 110 S CB -0.248 63.135 63.200 0.306 0.000 0.773 110 S HN 0.508 nan 8.310 nan 0.000 0.507 111 F N 1.394 121.490 119.950 0.243 0.000 2.202 111 F HA -0.024 4.503 4.527 -0.000 0.000 0.301 111 F C 1.950 177.900 175.800 0.250 0.000 1.082 111 F CA -0.101 58.077 58.000 0.295 0.000 1.313 111 F CB -1.103 38.034 39.000 0.227 0.000 1.024 111 F HN 0.213 nan 8.300 nan 0.000 0.495 112 L N -0.807 120.618 121.223 0.336 0.000 2.131 112 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 112 L C 2.230 179.228 176.870 0.214 0.000 1.092 112 L CA 1.566 56.474 54.840 0.113 0.000 0.759 112 L CB -1.294 40.776 42.059 0.019 0.000 0.903 112 L HN 0.220 nan 8.230 nan 0.000 0.435 113 Y N -1.036 119.303 120.300 0.065 0.000 2.333 113 Y HA -0.281 4.269 4.550 -0.001 0.000 0.290 113 Y C 1.363 177.083 175.900 -0.301 0.000 1.144 113 Y CA 1.861 59.876 58.100 -0.142 0.000 1.228 113 Y CB -0.182 38.054 38.460 -0.373 0.000 0.985 113 Y HN 0.346 nan 8.280 nan 0.000 0.542 114 Y N -0.630 119.782 120.300 0.186 0.000 2.458 114 Y HA 0.464 5.014 4.550 -0.000 0.000 0.256 114 Y C 1.102 176.969 175.900 -0.054 0.000 1.159 114 Y CA -0.192 57.932 58.100 0.040 0.000 1.261 114 Y CB -0.308 38.187 38.460 0.059 0.000 1.119 114 Y HN 0.044 nan 8.280 nan 0.000 0.524 115 A N 2.096 124.934 122.820 0.031 0.000 2.401 115 A HA 0.289 4.609 4.320 -0.000 0.000 0.259 115 A C -1.610 175.831 177.584 -0.238 0.000 1.103 115 A CA -1.234 50.691 52.037 -0.186 0.000 0.789 115 A CB 0.135 18.727 19.000 -0.680 0.000 1.035 115 A HN 0.072 nan 8.150 nan 0.000 0.491 116 P HA 0.123 nan 4.420 nan 0.000 0.253 116 P C -0.451 176.591 177.300 -0.431 0.000 1.260 116 P CA 0.404 63.291 63.100 -0.355 0.000 0.800 116 P CB -0.436 30.983 31.700 -0.467 0.000 1.162 117 F N -2.226 117.545 119.950 -0.298 0.000 2.561 117 F HA 0.617 5.143 4.527 -0.000 0.000 0.321 117 F C 0.651 176.433 175.800 -0.030 0.000 1.065 117 F CA -1.183 56.697 58.000 -0.201 0.000 0.934 117 F CB 0.679 39.585 39.000 -0.157 0.000 1.215 117 F HN -0.430 nan 8.300 nan 0.000 0.471 118 D N 0.703 121.162 120.400 0.098 0.000 2.323 118 D HA 0.297 4.936 4.640 -0.000 0.000 0.218 118 D C 0.780 177.005 176.300 -0.126 0.000 0.973 118 D CA 1.030 55.041 54.000 0.019 0.000 0.890 118 D CB 0.854 41.812 40.800 0.265 0.000 1.011 118 D HN 0.810 nan 8.370 nan 0.000 0.499 119 G N -0.280 108.398 108.800 -0.203 0.000 2.682 119 G HA2 0.621 4.580 3.960 -0.000 0.000 0.303 119 G HA3 0.621 4.580 3.960 -0.000 0.000 0.303 119 G C -1.618 172.801 174.900 -0.802 0.000 1.341 119 G CA -0.649 43.871 45.100 -0.965 0.000 0.784 119 G HN -0.013 nan 8.290 nan 0.000 0.497 120 I N 0.089 119.917 120.570 -1.237 0.000 2.647 120 I HA 0.472 4.642 4.170 -0.000 0.000 0.295 120 I C -1.109 174.646 176.117 -0.604 0.000 1.078 120 I CA -0.705 60.124 61.300 -0.784 0.000 1.048 120 I CB 2.563 40.185 38.000 -0.630 0.000 1.239 120 I HN 0.299 nan 8.210 nan 0.000 0.421 121 L N 4.920 125.835 121.223 -0.513 0.000 2.337 121 L HA 0.594 4.934 4.340 -0.000 0.000 0.269 121 L C 0.365 177.050 176.870 -0.307 0.000 1.018 121 L CA -0.307 54.254 54.840 -0.465 0.000 0.876 121 L CB 0.966 42.546 42.059 -0.799 0.000 1.236 121 L HN 0.776 nan 8.230 nan 0.000 0.436 122 G N 4.063 112.784 108.800 -0.131 0.000 2.398 122 G HA2 0.325 4.285 3.960 -0.000 0.000 0.246 122 G HA3 0.325 4.285 3.960 -0.000 0.000 0.246 122 G C 0.258 175.139 174.900 -0.032 0.000 1.289 122 G CA -0.346 44.744 45.100 -0.017 0.000 0.869 122 G HN 0.733 nan 8.290 nan 0.000 0.543 123 L N 1.548 122.774 121.223 0.006 0.000 2.906 123 L HA 0.318 4.658 4.340 -0.000 0.000 0.255 123 L C 1.612 178.637 176.870 0.258 0.000 1.166 123 L CA -0.198 54.631 54.840 -0.018 0.000 0.977 123 L CB 0.087 41.972 42.059 -0.291 0.000 1.313 123 L HN 0.616 nan 8.230 nan 0.000 0.549 124 A N -0.889 122.071 122.820 0.233 0.000 2.388 124 A HA 0.458 4.778 4.320 -0.000 0.000 0.280 124 A C -0.689 176.926 177.584 0.052 0.000 1.377 124 A CA -0.166 52.005 52.037 0.222 0.000 0.863 124 A CB -0.007 19.054 19.000 0.101 0.000 1.416 124 A HN 0.081 nan 8.150 nan 0.000 0.517 125 Y N 0.011 120.187 120.300 -0.206 0.000 2.379 125 Y HA 0.229 4.778 4.550 -0.001 0.000 0.337 125 Y C -1.150 174.688 175.900 -0.104 0.000 1.238 125 Y CA -1.233 56.760 58.100 -0.179 0.000 1.405 125 Y CB 0.024 38.320 38.460 -0.274 0.000 1.310 125 Y HN 0.429 nan 8.280 nan 0.000 0.569 126 P HA -0.164 nan 4.420 nan 0.000 0.219 126 P C 1.360 178.680 177.300 0.034 0.000 1.150 126 P CA 1.955 65.096 63.100 0.067 0.000 0.814 126 P CB -0.038 31.707 31.700 0.075 0.000 0.787 127 S N 0.892 116.610 115.700 0.030 0.000 2.420 127 S HA -0.174 4.296 4.470 -0.000 0.000 0.237 127 S C 1.758 176.326 174.600 -0.054 0.000 1.023 127 S CA 1.433 59.619 58.200 -0.023 0.000 0.991 127 S CB -1.641 61.521 63.200 -0.063 0.000 0.792 127 S HN 0.415 nan 8.310 nan 0.000 0.488 128 I N -0.929 119.592 120.570 -0.081 0.000 3.891 128 I HA 0.411 4.581 4.170 -0.000 0.000 0.331 128 I C 0.347 176.435 176.117 -0.049 0.000 1.406 128 I CA -0.554 60.683 61.300 -0.104 0.000 1.139 128 I CB 0.180 38.030 38.000 -0.250 0.000 1.056 128 I HN 0.112 nan 8.210 nan 0.000 0.399 129 S N 2.279 117.967 115.700 -0.020 0.000 2.523 129 S HA 0.652 5.121 4.470 -0.000 0.000 0.275 129 S C 0.617 175.208 174.600 -0.015 0.000 1.281 129 S CA -0.348 57.852 58.200 -0.002 0.000 1.050 129 S CB 0.607 63.816 63.200 0.014 0.000 0.937 129 S HN 0.532 nan 8.310 nan 0.000 0.492 130 A N 4.145 126.950 122.820 -0.025 0.000 2.462 130 A HA 0.472 4.792 4.320 -0.000 0.000 0.243 130 A C 1.180 178.742 177.584 -0.037 0.000 1.076 130 A CA 0.321 52.331 52.037 -0.045 0.000 0.773 130 A CB -0.455 18.498 19.000 -0.079 0.000 1.010 130 A HN 1.733 nan 8.150 nan 0.000 0.493 131 S N 0.637 116.313 115.700 -0.039 0.000 3.358 131 S HA -0.202 4.268 4.470 -0.000 0.000 0.309 131 S C 1.414 176.000 174.600 -0.023 0.000 1.247 131 S CA 1.769 59.948 58.200 -0.035 0.000 0.961 131 S CB -2.006 61.166 63.200 -0.046 0.000 1.074 131 S HN 2.758 nan 8.310 nan 0.000 0.625 132 G N 0.334 109.125 108.800 -0.016 0.000 2.296 132 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.282 132 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.282 132 G C 0.222 175.122 174.900 -0.000 0.000 1.014 132 G CA 0.514 45.612 45.100 -0.003 0.000 0.812 132 G HN 1.926 nan 8.290 nan 0.000 0.508 133 A N -0.181 122.633 122.820 -0.010 0.000 2.445 133 A HA 0.628 4.948 4.320 -0.000 0.000 0.242 133 A C 0.991 178.582 177.584 0.011 0.000 1.075 133 A CA 0.902 52.929 52.037 -0.017 0.000 0.777 133 A CB 0.334 19.310 19.000 -0.039 0.000 1.013 133 A HN 0.830 nan 8.150 nan 0.000 0.493 134 T N 4.632 119.200 114.554 0.023 0.000 2.870 134 T HA 0.397 4.747 4.350 -0.000 0.000 0.300 134 T C -2.295 172.435 174.700 0.050 0.000 0.989 134 T CA -0.293 61.836 62.100 0.048 0.000 1.139 134 T CB 0.419 69.328 68.868 0.069 0.000 0.920 134 T HN 0.489 nan 8.240 nan 0.000 0.537 135 P HA 0.234 nan 4.420 nan 0.000 0.276 135 P C 1.073 178.414 177.300 0.068 0.000 1.244 135 P CA -0.566 62.571 63.100 0.062 0.000 0.801 135 P CB 0.551 32.300 31.700 0.080 0.000 1.006 136 V N 0.794 120.737 119.914 0.049 0.000 2.252 136 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 136 V C 1.990 178.134 176.094 0.083 0.000 1.056 136 V CA 2.007 64.333 62.300 0.044 0.000 1.022 136 V CB -1.198 30.626 31.823 0.001 0.000 0.641 136 V HN 0.529 nan 8.190 nan 0.000 0.445 137 F N 1.237 121.186 119.950 -0.002 0.000 2.134 137 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 137 F C 2.032 177.908 175.800 0.127 0.000 1.097 137 F CA 2.122 60.146 58.000 0.039 0.000 1.264 137 F CB -0.389 38.600 39.000 -0.018 0.000 1.001 137 F HN 0.272 nan 8.300 nan 0.000 0.479 138 D N -0.428 120.040 120.400 0.114 0.000 2.117 138 D HA -0.210 4.429 4.640 -0.000 0.000 0.197 138 D C 1.914 178.249 176.300 0.058 0.000 0.987 138 D CA 1.375 55.434 54.000 0.099 0.000 0.829 138 D CB -0.300 40.575 40.800 0.125 0.000 0.961 138 D HN 0.177 nan 8.370 nan 0.000 0.460 139 N N -0.253 118.466 118.700 0.031 0.000 2.244 139 N HA -0.029 4.711 4.740 -0.000 0.000 0.183 139 N C 1.562 177.055 175.510 -0.028 0.000 1.016 139 N CA 0.525 53.586 53.050 0.018 0.000 0.866 139 N CB -0.027 38.486 38.487 0.042 0.000 0.980 139 N HN 0.157 nan 8.380 nan 0.000 0.430 140 L N -0.892 120.289 121.223 -0.070 0.000 2.027 140 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 140 L C 2.324 179.133 176.870 -0.102 0.000 1.074 140 L CA 0.997 55.777 54.840 -0.100 0.000 0.745 140 L CB -0.484 41.477 42.059 -0.163 0.000 0.898 140 L HN 0.423 nan 8.230 nan 0.000 0.433 141 W N 1.696 122.781 121.300 -0.358 0.000 2.355 141 W HA -0.218 4.442 4.660 -0.000 0.000 0.309 141 W C 1.937 178.382 176.519 -0.124 0.000 1.206 141 W CA 1.520 58.703 57.345 -0.269 0.000 1.284 141 W CB -0.071 29.215 29.460 -0.290 0.000 1.145 141 W HN 0.270 nan 8.180 nan 0.000 0.502 142 D N 0.199 120.510 120.400 -0.149 0.000 2.149 142 D HA -0.221 4.418 4.640 -0.000 0.000 0.198 142 D C 1.843 178.001 176.300 -0.237 0.000 0.990 142 D CA 1.543 55.420 54.000 -0.205 0.000 0.839 142 D CB -0.671 40.099 40.800 -0.050 0.000 0.948 142 D HN 0.433 nan 8.370 nan 0.000 0.460 143 Q N -0.443 119.250 119.800 -0.177 0.000 2.365 143 Q HA 0.244 4.584 4.340 -0.000 0.000 0.203 143 Q C 0.825 176.717 176.000 -0.180 0.000 0.929 143 Q CA 0.251 55.967 55.803 -0.146 0.000 0.948 143 Q CB 0.638 29.328 28.738 -0.081 0.000 1.043 143 Q HN 0.255 nan 8.270 nan 0.000 0.505 144 G N 1.336 109.961 108.800 -0.293 0.000 2.249 144 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.273 144 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.273 144 G C 0.445 175.270 174.900 -0.125 0.000 1.036 144 G CA 0.240 45.177 45.100 -0.272 0.000 0.824 144 G HN 0.410 nan 8.290 nan 0.000 0.504 145 L N -0.932 120.243 121.223 -0.079 0.000 2.567 145 L HA 0.292 4.631 4.340 -0.000 0.000 0.225 145 L C 1.243 178.138 176.870 0.043 0.000 1.119 145 L CA 0.524 55.356 54.840 -0.014 0.000 0.871 145 L CB 0.127 42.180 42.059 -0.010 0.000 1.036 145 L HN 0.392 nan 8.230 nan 0.000 0.459 146 V N -5.959 114.005 119.914 0.083 0.000 2.864 146 V HA 0.436 4.555 4.120 -0.000 0.000 0.314 146 V C 0.982 177.217 176.094 0.235 0.000 1.073 146 V CA -0.639 61.767 62.300 0.178 0.000 0.956 146 V CB 1.646 33.609 31.823 0.233 0.000 1.023 146 V HN 0.014 nan 8.190 nan 0.000 0.435 147 S N 1.867 117.701 115.700 0.222 0.000 2.370 147 S HA -0.063 4.407 4.470 -0.000 0.000 0.226 147 S C 0.564 175.349 174.600 0.309 0.000 1.033 147 S CA 1.379 59.710 58.200 0.219 0.000 1.011 147 S CB -0.393 62.906 63.200 0.165 0.000 0.852 147 S HN 0.890 nan 8.310 nan 0.000 0.457 148 Q N -0.370 119.633 119.800 0.340 0.000 2.501 148 Q HA 0.310 4.650 4.340 -0.000 0.000 0.288 148 Q C -1.529 174.572 176.000 0.169 0.000 1.051 148 Q CA -0.729 55.239 55.803 0.274 0.000 0.788 148 Q CB 1.203 30.032 28.738 0.152 0.000 1.469 148 Q HN -0.100 nan 8.270 nan 0.000 0.416 149 D N 1.680 121.882 120.400 -0.330 0.000 2.977 149 D HA 0.225 4.865 4.640 -0.000 0.000 0.241 149 D C -1.103 175.223 176.300 0.044 0.000 1.206 149 D CA 0.221 53.897 54.000 -0.540 0.000 0.902 149 D CB -0.601 39.444 40.800 -1.258 0.000 1.131 149 D HN 0.317 nan 8.370 nan 0.000 0.447 150 L N -1.825 119.560 121.223 0.269 0.000 2.630 150 L HA 0.801 5.140 4.340 -0.000 0.000 0.258 150 L C -1.121 175.787 176.870 0.063 0.000 1.072 150 L CA -1.416 53.462 54.840 0.063 0.000 0.885 150 L CB 1.103 43.164 42.059 0.003 0.000 1.502 150 L HN -0.140 nan 8.230 nan 0.000 0.406 151 F N -1.733 118.106 119.950 -0.184 0.000 2.668 151 F HA 0.943 5.470 4.527 -0.000 0.000 0.309 151 F C -0.720 175.038 175.800 -0.071 0.000 1.117 151 F CA -0.371 57.527 58.000 -0.170 0.000 0.951 151 F CB 1.381 40.148 39.000 -0.388 0.000 1.323 151 F HN 0.863 nan 8.300 nan 0.000 0.451 152 S N 0.704 116.470 115.700 0.110 0.000 2.569 152 S HA 0.897 5.366 4.470 -0.000 0.000 0.280 152 S C -1.871 172.768 174.600 0.065 0.000 1.111 152 S CA -0.762 57.415 58.200 -0.038 0.000 0.887 152 S CB 1.751 64.853 63.200 -0.163 0.000 1.095 152 S HN 0.905 nan 8.310 nan 0.000 0.476 153 V N 2.805 122.690 119.914 -0.047 0.000 2.531 153 V HA 0.554 4.674 4.120 -0.000 0.000 0.301 153 V C -1.641 174.455 176.094 0.003 0.000 1.034 153 V CA -0.624 61.671 62.300 -0.007 0.000 0.865 153 V CB 1.419 33.260 31.823 0.029 0.000 0.995 153 V HN 0.934 nan 8.190 nan 0.000 0.424 154 Y N 5.944 126.143 120.300 -0.168 0.000 2.326 154 Y HA 0.741 5.290 4.550 -0.001 0.000 0.329 154 Y C -1.111 174.594 175.900 -0.325 0.000 0.973 154 Y CA -1.098 56.859 58.100 -0.239 0.000 1.162 154 Y CB 1.469 39.488 38.460 -0.735 0.000 1.147 154 Y HN 0.543 nan 8.280 nan 0.000 0.456 155 L N 5.571 126.277 121.223 -0.862 0.000 2.333 155 L HA 0.520 4.860 4.340 -0.000 0.000 0.280 155 L C 0.369 176.711 176.870 -0.880 0.000 1.004 155 L CA -0.744 53.594 54.840 -0.836 0.000 0.820 155 L CB 1.762 43.400 42.059 -0.702 0.000 1.247 155 L HN 0.554 nan 8.230 nan 0.000 0.416 163 S N -2.582 113.064 115.700 -0.090 0.000 2.959 163 S HA 0.548 5.017 4.470 -0.000 0.000 0.379 163 S C -0.375 174.157 174.600 -0.113 0.000 1.064 163 S CA 0.725 58.819 58.200 -0.178 0.000 1.446 163 S CB -1.087 nan 63.200 nan 0.000 1.290 163 S HN 2.273 nan 8.310 nan 0.000 0.407 164 V N -1.872 117.956 119.914 -0.144 0.000 3.120 164 V HA 0.913 5.033 4.120 -0.000 0.000 0.303 164 V C -0.519 175.486 176.094 -0.150 0.000 1.238 164 V CA -0.838 61.393 62.300 -0.115 0.000 1.008 164 V CB 1.239 33.062 31.823 0.000 0.000 1.064 164 V HN 1.626 nan 8.190 nan 0.000 0.434 165 V N 3.932 123.726 119.914 -0.201 0.000 2.370 165 V HA 0.434 4.554 4.120 -0.000 0.000 0.279 165 V C -0.005 176.067 176.094 -0.036 0.000 1.029 165 V CA -0.376 61.821 62.300 -0.173 0.000 0.870 165 V CB 1.313 32.892 31.823 -0.407 0.000 0.984 165 V HN 0.764 nan 8.190 nan 0.000 0.451 166 L N 6.453 127.733 121.223 0.094 0.000 2.255 166 L HA 0.459 4.799 4.340 -0.000 0.000 0.289 166 L C -0.369 176.623 176.870 0.202 0.000 1.046 166 L CA -0.316 54.625 54.840 0.167 0.000 0.816 166 L CB 1.083 43.295 42.059 0.255 0.000 1.197 166 L HN 0.462 nan 8.230 nan 0.000 0.427 167 L N 3.837 125.178 121.223 0.196 0.000 2.290 167 L HA 0.329 4.669 4.340 -0.000 0.000 0.284 167 L C 1.233 178.301 176.870 0.331 0.000 1.078 167 L CA 0.013 55.031 54.840 0.297 0.000 0.815 167 L CB 1.097 43.318 42.059 0.270 0.000 1.162 167 L HN 0.911 nan 8.230 nan 0.000 0.435 168 G N 2.527 111.580 108.800 0.422 0.000 2.153 168 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.252 168 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.252 168 G C 0.266 175.319 174.900 0.255 0.000 0.994 168 G CA 0.078 45.396 45.100 0.363 0.000 0.698 168 G HN 1.068 nan 8.290 nan 0.000 0.521 169 G N -1.291 107.650 108.800 0.235 0.000 2.695 169 G HA2 0.722 4.682 3.960 -0.000 0.000 0.290 169 G HA3 0.722 4.682 3.960 -0.000 0.000 0.290 169 G C -1.190 173.848 174.900 0.230 0.000 1.410 169 G CA -0.908 44.315 45.100 0.206 0.000 0.844 169 G HN 0.673 nan 8.290 nan 0.000 0.478 170 I N 0.742 121.456 120.570 0.240 0.000 2.466 170 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 170 I C -1.489 174.797 176.117 0.281 0.000 1.026 170 I CA -0.634 60.864 61.300 0.331 0.000 1.078 170 I CB 2.473 40.672 38.000 0.331 0.000 1.249 170 I HN 0.316 nan 8.210 nan 0.000 0.429 171 D N 3.729 124.310 120.400 0.302 0.000 2.453 171 D HA 0.162 4.802 4.640 -0.000 0.000 0.238 171 D C 1.116 177.299 176.300 -0.196 0.000 1.088 171 D CA -0.356 53.639 54.000 -0.009 0.000 0.854 171 D CB 1.563 42.235 40.800 -0.214 0.000 1.076 171 D HN 0.533 nan 8.370 nan 0.000 0.533 172 S N 1.792 117.357 115.700 -0.226 0.000 2.462 172 S HA -0.178 4.292 4.470 -0.000 0.000 0.243 172 S C 1.654 175.823 174.600 -0.719 0.000 1.003 172 S CA 0.950 58.783 58.200 -0.611 0.000 0.970 172 S CB -0.086 62.866 63.200 -0.413 0.000 0.762 172 S HN 0.273 nan 8.310 nan 0.000 0.510 173 S N 0.368 115.696 115.700 -0.619 0.000 2.481 173 S HA 0.101 4.571 4.470 -0.000 0.000 0.231 173 S C 0.776 174.997 174.600 -0.632 0.000 0.996 173 S CA 0.541 58.370 58.200 -0.620 0.000 0.942 173 S CB -0.381 62.370 63.200 -0.749 0.000 0.768 173 S HN 0.730 nan 8.310 nan 0.000 0.520 174 Y N 0.393 120.303 120.300 -0.650 0.000 2.482 174 Y HA 0.252 4.802 4.550 -0.001 0.000 0.270 174 Y C 0.436 176.052 175.900 -0.473 0.000 1.152 174 Y CA -1.025 56.597 58.100 -0.797 0.000 1.292 174 Y CB -0.384 37.384 38.460 -1.154 0.000 1.070 174 Y HN 0.404 nan 8.280 nan 0.000 0.528 175 Y N -2.790 117.320 120.300 -0.316 0.000 2.677 175 Y HA 0.743 5.293 4.550 -0.001 0.000 0.334 175 Y C -0.462 175.384 175.900 -0.090 0.000 1.154 175 Y CA -1.898 56.117 58.100 -0.142 0.000 1.070 175 Y CB 1.010 39.431 38.460 -0.066 0.000 1.294 175 Y HN -0.198 nan 8.280 nan 0.000 0.475 176 T N -1.016 113.634 114.554 0.160 0.000 2.907 176 T HA 0.786 5.136 4.350 -0.000 0.000 0.292 176 T C 0.241 175.053 174.700 0.187 0.000 1.043 176 T CA -0.226 61.912 62.100 0.063 0.000 1.003 176 T CB 1.071 69.950 68.868 0.019 0.000 1.084 176 T HN 2.317 nan 8.240 nan 0.000 0.483 177 G N 1.711 110.581 108.800 0.117 0.000 2.632 177 G HA2 0.043 4.003 3.960 -0.000 0.000 0.224 177 G HA3 0.043 4.003 3.960 -0.000 0.000 0.224 177 G C -0.347 174.697 174.900 0.239 0.000 1.341 177 G CA -0.365 44.819 45.100 0.142 0.000 0.880 177 G HN 1.364 nan 8.290 nan 0.000 0.566 178 S N -0.734 115.065 115.700 0.165 0.000 2.638 178 S HA 0.733 5.203 4.470 -0.000 0.000 0.298 178 S C 0.303 174.917 174.600 0.022 0.000 1.111 178 S CA -0.661 57.632 58.200 0.156 0.000 1.027 178 S CB 1.703 64.966 63.200 0.106 0.000 1.064 178 S HN 0.696 nan 8.310 nan 0.000 0.525 179 L N 2.423 123.597 121.223 -0.082 0.000 2.371 179 L HA 0.324 4.664 4.340 -0.000 0.000 0.272 179 L C 0.325 177.012 176.870 -0.304 0.000 1.124 179 L CA -0.319 54.309 54.840 -0.354 0.000 0.816 179 L CB 0.411 42.151 42.059 -0.532 0.000 1.129 179 L HN 0.535 nan 8.230 nan 0.000 0.448 180 N N 2.051 120.536 118.700 -0.359 0.000 2.424 180 N HA 0.227 4.966 4.740 -0.000 0.000 0.271 180 N C -1.366 173.890 175.510 -0.424 0.000 0.985 180 N CA -0.422 52.491 53.050 -0.228 0.000 0.921 180 N CB 1.312 39.782 38.487 -0.028 0.000 1.149 180 N HN 0.356 nan 8.380 nan 0.000 0.492 181 W N 1.792 123.076 121.300 -0.028 0.000 2.351 181 W HA 0.424 5.084 4.660 -0.000 0.000 0.311 181 W C -0.005 176.497 176.519 -0.029 0.000 1.168 181 W CA -0.577 56.740 57.345 -0.045 0.000 1.200 181 W CB 0.855 30.294 29.460 -0.036 0.000 1.221 181 W HN 0.018 nan 8.180 nan 0.000 0.519 182 V N 4.930 124.925 119.914 0.135 0.000 2.540 182 V HA 0.428 4.547 4.120 -0.000 0.000 0.302 182 V C -2.072 174.101 176.094 0.131 0.000 1.035 182 V CA -2.709 59.645 62.300 0.088 0.000 0.873 182 V CB 1.722 33.543 31.823 -0.003 0.000 0.992 182 V HN 0.286 nan 8.190 nan 0.000 0.428 183 P HA 0.180 nan 4.420 nan 0.000 0.271 183 P C -0.329 177.033 177.300 0.103 0.000 1.218 183 P CA -0.092 63.074 63.100 0.109 0.000 0.780 183 P CB 0.864 32.607 31.700 0.072 0.000 0.901 184 V N 2.752 122.740 119.914 0.123 0.000 2.508 184 V HA 0.004 4.124 4.120 -0.000 0.000 0.281 184 V C 1.816 177.929 176.094 0.032 0.000 1.041 184 V CA 0.834 63.198 62.300 0.106 0.000 1.016 184 V CB 0.565 32.458 31.823 0.117 0.000 0.984 184 V HN 0.746 nan 8.190 nan 0.000 0.478 185 S N 4.283 119.996 115.700 0.022 0.000 2.439 185 S HA 0.123 4.592 4.470 -0.000 0.000 0.224 185 S C 0.354 174.936 174.600 -0.031 0.000 1.029 185 S CA 0.021 58.222 58.200 0.002 0.000 0.946 185 S CB 0.350 63.559 63.200 0.016 0.000 0.797 185 S HN 0.425 nan 8.310 nan 0.000 0.504 186 V N 2.063 121.941 119.914 -0.059 0.000 2.567 186 V HA 0.363 4.482 4.120 -0.000 0.000 0.298 186 V C -1.044 174.912 176.094 -0.229 0.000 1.047 186 V CA -0.781 61.459 62.300 -0.101 0.000 0.880 186 V CB 1.800 33.595 31.823 -0.046 0.000 1.009 186 V HN 0.325 nan 8.190 nan 0.000 0.429 187 E N 2.853 122.836 120.200 -0.362 0.000 2.257 187 E HA 0.559 4.909 4.350 -0.000 0.000 0.278 187 E C 0.857 177.032 176.600 -0.708 0.000 1.049 187 E CA 0.797 56.724 56.400 -0.789 0.000 0.876 187 E CB 1.371 30.592 29.700 -0.799 0.000 1.035 187 E HN 0.949 nan 8.360 nan 0.000 0.419 188 G N 3.013 111.301 108.800 -0.855 0.000 4.444 188 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.158 188 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.158 188 G C -0.776 173.843 174.900 -0.469 0.000 1.789 188 G CA -0.605 44.202 45.100 -0.489 0.000 0.886 188 G HN 0.420 nan 8.290 nan 0.000 0.284 189 Y N -0.363 119.865 120.300 -0.120 0.000 2.480 189 Y HA 0.610 5.159 4.550 -0.000 0.000 0.323 189 Y C -0.246 175.630 175.900 -0.041 0.000 1.267 189 Y CA -0.651 57.454 58.100 0.009 0.000 1.336 189 Y CB 0.822 39.327 38.460 0.075 0.000 1.361 189 Y HN 0.229 nan 8.280 nan 0.000 0.518 190 W N 2.167 123.690 121.300 0.372 0.000 1.864 190 W HA 0.326 4.986 4.660 -0.001 0.000 0.425 190 W C -0.224 176.418 176.519 0.205 0.000 0.791 190 W CA -0.220 57.322 57.345 0.329 0.000 1.650 190 W CB -0.001 29.708 29.460 0.415 0.000 1.791 190 W HN 0.244 nan 8.180 nan 0.000 0.266 191 Q N 4.065 124.024 119.800 0.264 0.000 2.290 191 Q HA 0.557 4.897 4.340 -0.000 0.000 0.259 191 Q C -0.119 175.947 176.000 0.111 0.000 0.941 191 Q CA -0.498 55.399 55.803 0.158 0.000 0.912 191 Q CB 1.026 29.830 28.738 0.109 0.000 1.244 191 Q HN 0.585 nan 8.270 nan 0.000 0.441 192 I N -0.648 119.966 120.570 0.074 0.000 3.206 192 I HA 0.626 4.795 4.170 -0.000 0.000 0.313 192 I C -0.715 175.416 176.117 0.023 0.000 1.103 192 I CA -0.994 60.329 61.300 0.039 0.000 0.985 192 I CB 2.488 40.491 38.000 0.004 0.000 1.240 192 I HN 0.306 nan 8.210 nan 0.000 0.464 193 T N 3.877 118.442 114.554 0.017 0.000 2.767 193 T HA 0.489 4.839 4.350 -0.000 0.000 0.288 193 T C -0.247 174.458 174.700 0.009 0.000 0.963 193 T CA -0.318 61.794 62.100 0.019 0.000 1.019 193 T CB 0.877 69.758 68.868 0.022 0.000 0.923 193 T HN 0.335 nan 8.240 nan 0.000 0.468 194 L N 2.870 124.101 121.223 0.014 0.000 2.322 194 L HA 0.371 4.711 4.340 -0.000 0.000 0.279 194 L C 0.515 177.388 176.870 0.005 0.000 1.036 194 L CA -0.586 54.258 54.840 0.007 0.000 0.807 194 L CB 1.529 43.593 42.059 0.009 0.000 1.226 194 L HN 0.646 nan 8.230 nan 0.000 0.433 195 D N 0.234 120.637 120.400 0.005 0.000 2.262 195 D HA 0.063 4.703 4.640 -0.000 0.000 0.212 195 D C 0.197 176.477 176.300 -0.034 0.000 0.964 195 D CA 0.734 54.731 54.000 -0.005 0.000 0.875 195 D CB 0.618 41.421 40.800 0.006 0.000 0.996 195 D HN 0.538 nan 8.370 nan 0.000 0.497 196 S N -0.991 114.670 115.700 -0.065 0.000 2.611 196 S HA 0.519 4.989 4.470 -0.000 0.000 0.270 196 S C -1.491 172.970 174.600 -0.232 0.000 1.131 196 S CA -0.992 57.134 58.200 -0.124 0.000 0.826 196 S CB 0.873 64.017 63.200 -0.092 0.000 1.095 196 S HN -0.012 nan 8.310 nan 0.000 0.461 197 I N 1.933 122.308 120.570 -0.325 0.000 2.466 197 I HA 0.581 4.750 4.170 -0.000 0.000 0.289 197 I C -0.204 175.707 176.117 -0.345 0.000 1.026 197 I CA -0.518 60.469 61.300 -0.522 0.000 1.078 197 I CB 2.386 39.873 38.000 -0.855 0.000 1.249 197 I HN 0.958 nan 8.210 nan 0.000 0.429 198 T N 1.936 116.310 114.554 -0.300 0.000 2.908 198 T HA 0.615 4.964 4.350 -0.000 0.000 0.290 198 T C 0.017 174.617 174.700 -0.165 0.000 1.034 198 T CA -0.659 61.330 62.100 -0.185 0.000 1.010 198 T CB 2.721 71.520 68.868 -0.114 0.000 1.068 198 T HN 0.724 nan 8.240 nan 0.000 0.481 199 M N 0.414 119.945 119.600 -0.114 0.000 2.627 199 M HA 0.426 4.906 4.480 -0.000 0.000 0.236 199 M C -0.512 175.767 176.300 -0.033 0.000 1.483 199 M CA 0.602 55.853 55.300 -0.081 0.000 1.139 199 M CB 0.961 33.498 32.600 -0.106 0.000 1.399 199 M HN 0.660 nan 8.290 nan 0.000 0.549 200 D N 0.109 120.488 120.400 -0.034 0.000 2.952 200 D HA 0.479 5.119 4.640 -0.000 0.000 0.373 200 D C 0.322 176.612 176.300 -0.016 0.000 1.360 200 D CA 0.778 54.770 54.000 -0.013 0.000 0.788 200 D CB 0.803 41.598 40.800 -0.008 0.000 1.192 200 D HN 0.583 nan 8.370 nan 0.000 0.462 201 G N 1.187 109.973 108.800 -0.024 0.000 2.241 201 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.244 201 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.244 201 G C 0.245 175.125 174.900 -0.034 0.000 0.998 201 G CA 0.112 45.197 45.100 -0.024 0.000 0.621 201 G HN 0.448 nan 8.290 nan 0.000 0.519 202 E N 1.450 121.625 120.200 -0.040 0.000 2.249 202 E HA 0.514 4.864 4.350 -0.000 0.000 0.280 202 E C -0.648 175.913 176.600 -0.066 0.000 1.016 202 E CA -0.278 56.095 56.400 -0.046 0.000 0.830 202 E CB 1.014 30.689 29.700 -0.041 0.000 1.081 202 E HN 0.049 nan 8.360 nan 0.000 0.395 203 T N 4.085 118.601 114.554 -0.063 0.000 2.769 203 T HA 0.164 4.513 4.350 -0.000 0.000 0.293 203 T C 1.050 175.703 174.700 -0.078 0.000 0.931 203 T CA -0.164 61.888 62.100 -0.079 0.000 1.139 203 T CB -0.138 68.694 68.868 -0.061 0.000 0.881 203 T HN 0.598 nan 8.240 nan 0.000 0.532 204 I N 0.417 120.921 120.570 -0.109 0.000 4.187 204 I HA 0.710 4.880 4.170 -0.000 0.000 0.326 204 I C 0.602 176.688 176.117 -0.050 0.000 1.302 204 I CA -0.414 60.834 61.300 -0.087 0.000 1.196 204 I CB 0.302 38.236 38.000 -0.111 0.000 1.095 204 I HN 0.578 nan 8.210 nan 0.000 0.411 205 A N -0.404 122.368 122.820 -0.079 0.000 2.511 205 A HA 0.460 4.780 4.320 -0.000 0.000 0.293 205 A C 0.159 177.706 177.584 -0.062 0.000 1.098 205 A CA 0.066 52.105 52.037 0.004 0.000 0.643 205 A CB 0.400 19.478 19.000 0.131 0.000 1.302 205 A HN 0.488 nan 8.150 nan 0.000 0.446 206 c N 0.473 119.093 118.600 0.033 0.000 4.235 206 c HA -0.096 4.474 4.570 -0.000 0.000 0.301 206 c C 0.820 174.895 174.090 -0.025 0.000 1.409 206 c CA 0.824 57.151 56.329 -0.004 0.000 2.024 206 c CB -2.934 39.486 42.510 -0.151 0.000 1.286 206 c HN 2.026 nan 8.230 nan 0.000 0.746 207 S N -0.029 115.669 115.700 -0.004 0.000 2.498 207 S HA 0.432 4.902 4.470 -0.000 0.000 0.281 207 S C 1.343 175.940 174.600 -0.004 0.000 1.265 207 S CA 1.286 59.478 58.200 -0.013 0.000 1.071 207 S CB 0.632 63.828 63.200 -0.008 0.000 0.894 207 S HN 2.408 nan 8.310 nan 0.000 0.491 208 G N 3.139 111.932 108.800 -0.010 0.000 2.160 208 G HA2 0.106 4.066 3.960 -0.000 0.000 0.251 208 G HA3 0.106 4.066 3.960 -0.000 0.000 0.251 208 G C 0.987 175.889 174.900 0.003 0.000 1.008 208 G CA 0.212 45.310 45.100 -0.003 0.000 0.724 208 G HN 2.063 nan 8.290 nan 0.000 0.514 209 G N -2.444 106.355 108.800 -0.001 0.000 2.690 209 G HA2 0.453 4.413 3.960 -0.000 0.000 0.686 209 G HA3 0.453 4.413 3.960 -0.000 0.000 0.686 209 G C 0.530 175.447 174.900 0.027 0.000 1.277 209 G CA 0.565 45.670 45.100 0.008 0.000 0.799 209 G HN 2.695 nan 8.290 nan 0.000 0.613 210 c N -0.761 117.862 118.600 0.039 0.000 3.253 210 c HA 0.872 5.442 4.570 -0.000 0.000 0.362 210 c C -0.717 173.420 174.090 0.079 0.000 1.487 210 c CA -1.041 55.333 56.329 0.076 0.000 1.179 210 c CB 1.459 44.051 42.510 0.136 0.000 1.660 210 c HN 1.156 nan 8.230 nan 0.000 0.438 211 Q N 0.923 120.785 119.800 0.104 0.000 2.235 211 Q HA 0.757 5.096 4.340 -0.000 0.000 0.256 211 Q C -0.195 175.877 176.000 0.119 0.000 0.951 211 Q CA 0.104 55.959 55.803 0.085 0.000 0.890 211 Q CB 1.937 30.711 28.738 0.060 0.000 1.279 211 Q HN 1.258 nan 8.270 nan 0.000 0.444 212 A N 2.449 125.314 122.820 0.075 0.000 2.449 212 A HA 0.746 5.065 4.320 -0.000 0.000 0.302 212 A C -0.923 176.681 177.584 0.034 0.000 1.048 212 A CA -0.624 51.451 52.037 0.064 0.000 0.708 212 A CB 1.110 20.098 19.000 -0.021 0.000 1.274 212 A HN 0.670 nan 8.150 nan 0.000 0.410 213 I N 2.026 122.614 120.570 0.031 0.000 2.404 213 I HA 0.334 4.504 4.170 -0.000 0.000 0.293 213 I C -0.608 175.555 176.117 0.076 0.000 0.992 213 I CA -0.945 60.400 61.300 0.075 0.000 1.149 213 I CB 2.060 40.077 38.000 0.028 0.000 1.315 213 I HN 0.341 nan 8.210 nan 0.000 0.446 214 V N 5.016 125.034 119.914 0.174 0.000 2.408 214 V HA 0.201 4.321 4.120 -0.000 0.000 0.267 214 V C -0.370 175.868 176.094 0.240 0.000 1.047 214 V CA -0.067 62.331 62.300 0.163 0.000 0.937 214 V CB 1.006 32.942 31.823 0.188 0.000 0.999 214 V HN 0.606 nan 8.190 nan 0.000 0.472 215 D N 3.312 123.798 120.400 0.145 0.000 2.421 215 D HA 0.218 4.858 4.640 -0.000 0.000 0.254 215 D C 1.178 177.532 176.300 0.091 0.000 1.238 215 D CA -0.152 53.927 54.000 0.132 0.000 0.919 215 D CB 1.952 42.809 40.800 0.095 0.000 1.152 215 D HN 0.599 nan 8.370 nan 0.000 0.552 216 T N -0.163 114.441 114.554 0.084 0.000 3.007 216 T HA 0.021 4.371 4.350 -0.000 0.000 0.270 216 T C 1.708 176.439 174.700 0.052 0.000 1.107 216 T CA 0.663 62.790 62.100 0.046 0.000 1.118 216 T CB 0.005 68.873 68.868 0.000 0.000 0.889 216 T HN 0.320 nan 8.240 nan 0.000 0.506 217 G N 0.289 109.135 108.800 0.076 0.000 3.026 217 G HA2 0.282 4.241 3.960 -0.000 0.000 0.208 217 G HA3 0.282 4.241 3.960 -0.000 0.000 0.208 217 G C 0.307 175.231 174.900 0.040 0.000 1.169 217 G CA 0.271 45.434 45.100 0.105 0.000 0.788 217 G HN 0.608 nan 8.290 nan 0.000 0.533 218 T N -1.326 113.239 114.554 0.019 0.000 2.909 218 T HA 0.416 4.765 4.350 -0.000 0.000 0.299 218 T C 1.305 176.021 174.700 0.027 0.000 1.073 218 T CA 0.208 62.309 62.100 0.002 0.000 0.999 218 T CB 1.677 70.523 68.868 -0.036 0.000 1.098 218 T HN 0.069 nan 8.240 nan 0.000 0.477 219 S N 3.540 119.256 115.700 0.026 0.000 2.528 219 S HA 0.314 4.784 4.470 -0.000 0.000 0.219 219 S C 0.661 175.273 174.600 0.021 0.000 0.985 219 S CA -0.205 58.017 58.200 0.036 0.000 0.914 219 S CB -0.427 62.788 63.200 0.025 0.000 0.776 219 S HN 0.584 nan 8.310 nan 0.000 0.526 220 L N 1.134 122.361 121.223 0.007 0.000 2.400 220 L HA 0.522 4.862 4.340 -0.000 0.000 0.264 220 L C -0.159 176.700 176.870 -0.017 0.000 1.061 220 L CA -1.101 53.731 54.840 -0.012 0.000 0.799 220 L CB 0.840 42.901 42.059 0.003 0.000 1.240 220 L HN 0.097 nan 8.230 nan 0.000 0.461 221 L N 1.031 122.218 121.223 -0.061 0.000 2.281 221 L HA 0.358 4.697 4.340 -0.000 0.000 0.285 221 L C -0.362 176.582 176.870 0.123 0.000 1.074 221 L CA -0.008 54.853 54.840 0.035 0.000 0.817 221 L CB 0.946 43.000 42.059 -0.010 0.000 1.168 221 L HN 0.616 nan 8.230 nan 0.000 0.434 222 T N 1.980 116.589 114.554 0.091 0.000 2.841 222 T HA 0.762 5.112 4.350 -0.000 0.000 0.283 222 T C 0.146 174.670 174.700 -0.293 0.000 1.000 222 T CA -0.607 61.466 62.100 -0.045 0.000 0.977 222 T CB 2.087 70.910 68.868 -0.074 0.000 0.979 222 T HN 0.803 nan 8.240 nan 0.000 0.446 223 G N 2.060 110.507 108.800 -0.588 0.000 2.721 223 G HA2 0.718 4.678 3.960 -0.000 0.000 0.296 223 G HA3 0.718 4.678 3.960 -0.000 0.000 0.296 223 G C -3.263 171.195 174.900 -0.736 0.000 1.383 223 G CA -1.471 42.846 45.100 -1.305 0.000 0.788 223 G HN 0.450 nan 8.290 nan 0.000 0.500 224 P HA 0.151 nan 4.420 nan 0.000 0.265 224 P C 1.155 178.330 177.300 -0.208 0.000 1.193 224 P CA 0.145 63.057 63.100 -0.313 0.000 0.765 224 P CB 0.685 32.273 31.700 -0.188 0.000 0.823 225 T N 1.544 116.015 114.554 -0.138 0.000 2.653 225 T HA -0.205 4.144 4.350 -0.000 0.000 0.267 225 T C 1.788 176.451 174.700 -0.060 0.000 1.037 225 T CA 2.430 64.478 62.100 -0.087 0.000 1.159 225 T CB -0.636 68.195 68.868 -0.061 0.000 0.859 225 T HN 0.447 nan 8.240 nan 0.000 0.449 226 S N 0.927 116.598 115.700 -0.048 0.000 2.355 226 S HA 0.024 4.494 4.470 -0.000 0.000 0.222 226 S C 2.588 177.181 174.600 -0.012 0.000 1.031 226 S CA 0.930 59.115 58.200 -0.025 0.000 0.993 226 S CB -0.588 62.603 63.200 -0.015 0.000 0.859 226 S HN 0.624 nan 8.310 nan 0.000 0.453 227 A N 1.461 124.287 122.820 0.010 0.000 1.902 227 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 227 A C 2.091 179.694 177.584 0.032 0.000 1.181 227 A CA 1.217 53.297 52.037 0.072 0.000 0.623 227 A CB -0.739 18.405 19.000 0.239 0.000 0.818 227 A HN 0.468 nan 8.150 nan 0.000 0.443 228 I N -0.370 120.194 120.570 -0.011 0.000 2.179 228 I HA -0.288 3.881 4.170 -0.000 0.000 0.242 228 I C 3.006 179.088 176.117 -0.059 0.000 1.088 228 I CA 1.056 62.334 61.300 -0.037 0.000 1.357 228 I CB -0.353 37.625 38.000 -0.036 0.000 1.051 228 I HN 0.372 nan 8.210 nan 0.000 0.409 229 A N 1.074 123.869 122.820 -0.041 0.000 1.908 229 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 229 A C 1.967 179.522 177.584 -0.047 0.000 1.181 229 A CA 2.475 54.491 52.037 -0.035 0.000 0.627 229 A CB -1.153 17.832 19.000 -0.025 0.000 0.818 229 A HN 0.543 nan 8.150 nan 0.000 0.445 230 N N -0.124 118.546 118.700 -0.049 0.000 2.084 230 N HA -0.100 4.640 4.740 -0.000 0.000 0.190 230 N C 1.585 177.037 175.510 -0.097 0.000 1.030 230 N CA 1.604 54.620 53.050 -0.057 0.000 0.849 230 N CB -0.375 38.086 38.487 -0.043 0.000 1.012 230 N HN 0.524 nan 8.380 nan 0.000 0.423 231 I N 1.146 121.622 120.570 -0.157 0.000 2.226 231 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 231 I C 2.295 178.264 176.117 -0.246 0.000 1.100 231 I CA 1.028 62.157 61.300 -0.287 0.000 1.374 231 I CB -0.296 37.367 38.000 -0.562 0.000 1.057 231 I HN 0.213 nan 8.210 nan 0.000 0.413 232 Q N 0.128 119.824 119.800 -0.173 0.000 2.084 232 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 232 Q C 2.422 178.398 176.000 -0.040 0.000 0.978 232 Q CA 2.026 57.782 55.803 -0.080 0.000 0.844 232 Q CB -0.633 28.091 28.738 -0.024 0.000 0.898 232 Q HN 0.538 nan 8.270 nan 0.000 0.426 233 S N 1.311 116.985 115.700 -0.044 0.000 2.356 233 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 233 S C 1.374 175.960 174.600 -0.024 0.000 1.032 233 S CA 1.414 59.599 58.200 -0.025 0.000 1.005 233 S CB -0.095 63.091 63.200 -0.024 0.000 0.867 233 S HN 0.211 nan 8.310 nan 0.000 0.449 234 D N 1.546 121.919 120.400 -0.044 0.000 2.310 234 D HA -0.008 4.632 4.640 -0.000 0.000 0.212 234 D C 1.706 178.002 176.300 -0.007 0.000 0.965 234 D CA 1.199 55.181 54.000 -0.031 0.000 0.879 234 D CB -0.331 40.438 40.800 -0.051 0.000 0.921 234 D HN 0.807 nan 8.370 nan 0.000 0.510 235 I N -4.102 116.467 120.570 -0.002 0.000 3.883 235 I HA 0.329 4.499 4.170 -0.000 0.000 0.326 235 I C 1.007 177.165 176.117 0.070 0.000 1.283 235 I CA 0.325 61.661 61.300 0.060 0.000 1.161 235 I CB 0.151 38.222 38.000 0.118 0.000 1.012 235 I HN -0.051 nan 8.210 nan 0.000 0.421 236 G N 1.991 110.815 108.800 0.041 0.000 2.171 236 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.238 236 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.238 236 G C 0.158 175.086 174.900 0.047 0.000 1.039 236 G CA 0.017 45.141 45.100 0.040 0.000 0.759 236 G HN 0.917 nan 8.290 nan 0.000 0.501 237 A N -0.279 122.569 122.820 0.047 0.000 2.303 237 A HA 0.936 5.255 4.320 -0.000 0.000 0.317 237 A C 0.519 178.127 177.584 0.040 0.000 1.149 237 A CA 0.527 52.598 52.037 0.056 0.000 0.822 237 A CB 1.191 20.236 19.000 0.076 0.000 1.131 237 A HN 1.690 nan 8.150 nan 0.000 0.493 238 S N -0.158 115.566 115.700 0.040 0.000 2.570 238 S HA 0.758 5.228 4.470 -0.000 0.000 0.286 238 S C -0.229 174.390 174.600 0.032 0.000 1.099 238 S CA -0.161 58.057 58.200 0.030 0.000 0.913 238 S CB 1.441 64.656 63.200 0.025 0.000 1.085 238 S HN 1.255 nan 8.310 nan 0.000 0.480 239 E N 1.853 122.068 120.200 0.026 0.000 2.229 239 E HA 0.439 4.789 4.350 -0.000 0.000 0.283 239 E C 0.119 176.732 176.600 0.021 0.000 1.030 239 E CA -1.024 55.392 56.400 0.026 0.000 0.836 239 E CB 0.137 29.851 29.700 0.023 0.000 1.068 239 E HN 0.703 nan 8.360 nan 0.000 0.401 240 N N 0.755 119.467 118.700 0.020 0.000 2.448 240 N HA 0.363 5.103 4.740 -0.000 0.000 0.274 240 N C 1.506 177.024 175.510 0.013 0.000 1.239 240 N CA 0.237 53.297 53.050 0.016 0.000 0.982 240 N CB 0.750 39.246 38.487 0.015 0.000 1.199 240 N HN 0.532 nan 8.380 nan 0.000 0.576 241 S N -0.442 115.264 115.700 0.010 0.000 2.359 241 S HA -0.185 4.284 4.470 -0.000 0.000 0.223 241 S C 1.775 176.378 174.600 0.006 0.000 1.039 241 S CA 2.582 60.786 58.200 0.007 0.000 1.042 241 S CB -1.774 61.429 63.200 0.005 0.000 0.915 241 S HN 0.852 nan 8.310 nan 0.000 0.439 242 D N 0.442 120.843 120.400 0.002 0.000 2.390 242 D HA 0.384 5.024 4.640 -0.000 0.000 0.235 242 D C 1.394 177.695 176.300 0.002 0.000 1.040 242 D CA 0.965 54.963 54.000 -0.004 0.000 0.923 242 D CB -1.497 39.295 40.800 -0.014 0.000 0.886 242 D HN 1.591 nan 8.370 nan 0.000 0.532 243 G N 0.498 109.304 108.800 0.010 0.000 2.370 243 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.295 243 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.295 243 G C -0.234 174.679 174.900 0.021 0.000 1.045 243 G CA 0.456 45.566 45.100 0.017 0.000 1.199 243 G HN 0.749 nan 8.290 nan 0.000 0.513 244 E N 0.287 120.501 120.200 0.023 0.000 2.336 244 E HA 0.624 4.973 4.350 -0.000 0.000 0.267 244 E C -0.045 176.579 176.600 0.039 0.000 0.906 244 E CA -1.362 55.056 56.400 0.031 0.000 0.781 244 E CB 1.138 30.855 29.700 0.028 0.000 1.261 244 E HN 0.112 nan 8.360 nan 0.000 0.436 245 M N 2.514 122.146 119.600 0.054 0.000 2.495 245 M HA 0.178 4.658 4.480 -0.000 0.000 0.346 245 M C -0.182 176.159 176.300 0.069 0.000 1.251 245 M CA -0.732 54.606 55.300 0.063 0.000 1.249 245 M CB -0.094 32.556 32.600 0.084 0.000 1.229 245 M HN 0.414 nan 8.290 nan 0.000 0.450 246 V N 2.650 122.597 119.914 0.054 0.000 2.881 246 V HA 0.751 4.871 4.120 -0.000 0.000 0.303 246 V C -0.063 176.068 176.094 0.061 0.000 1.070 246 V CA -0.712 61.620 62.300 0.053 0.000 1.074 246 V CB 0.893 32.739 31.823 0.038 0.000 1.012 246 V HN 0.736 nan 8.190 nan 0.000 0.482 247 I N 0.246 120.855 120.570 0.064 0.000 2.865 247 I HA 0.724 4.894 4.170 -0.000 0.000 0.302 247 I C -0.092 176.055 176.117 0.051 0.000 1.140 247 I CA -0.696 60.644 61.300 0.067 0.000 1.021 247 I CB 2.185 40.242 38.000 0.095 0.000 1.233 247 I HN 0.520 nan 8.210 nan 0.000 0.427 248 S N 2.220 117.946 115.700 0.044 0.000 2.505 248 S HA 0.127 4.597 4.470 -0.000 0.000 0.276 248 S C 0.963 175.582 174.600 0.031 0.000 1.274 248 S CA -0.722 57.498 58.200 0.033 0.000 1.053 248 S CB 0.864 64.080 63.200 0.028 0.000 0.919 248 S HN 0.802 nan 8.310 nan 0.000 0.490 249 c N 2.542 121.157 118.600 0.024 0.000 2.419 249 c HA -0.069 4.501 4.570 -0.000 0.000 0.281 249 c C 2.693 176.791 174.090 0.014 0.000 1.336 249 c CA 0.601 56.941 56.329 0.018 0.000 1.770 249 c CB -1.381 41.136 42.510 0.012 0.000 1.929 249 c HN 0.903 nan 8.230 nan 0.000 0.509 250 S N 1.109 116.817 115.700 0.015 0.000 2.481 250 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 250 S C 1.929 176.537 174.600 0.014 0.000 0.996 250 S CA 1.309 59.516 58.200 0.012 0.000 0.942 250 S CB -0.304 62.903 63.200 0.011 0.000 0.768 250 S HN 0.864 nan 8.310 nan 0.000 0.520 251 S N 0.848 116.560 115.700 0.021 0.000 2.593 251 S HA 0.207 4.677 4.470 -0.000 0.000 0.217 251 S C 1.473 176.089 174.600 0.026 0.000 0.966 251 S CA -0.127 58.088 58.200 0.026 0.000 0.914 251 S CB -0.597 62.624 63.200 0.035 0.000 0.776 251 S HN 0.427 nan 8.310 nan 0.000 0.523 252 I N 2.185 122.764 120.570 0.015 0.000 2.208 252 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 252 I C 2.228 178.342 176.117 -0.005 0.000 1.097 252 I CA 1.767 63.067 61.300 -0.000 0.000 1.363 252 I CB -0.688 37.298 38.000 -0.023 0.000 1.051 252 I HN 0.321 nan 8.210 nan 0.000 0.413 253 D N -0.499 119.900 120.400 -0.001 0.000 2.350 253 D HA -0.083 4.556 4.640 -0.000 0.000 0.216 253 D C 1.997 178.304 176.300 0.012 0.000 0.968 253 D CA 1.049 55.050 54.000 0.001 0.000 0.894 253 D CB -0.123 40.677 40.800 0.000 0.000 0.909 253 D HN 0.592 nan 8.370 nan 0.000 0.520 254 S N -0.751 114.962 115.700 0.022 0.000 2.557 254 S HA 0.232 4.701 4.470 -0.000 0.000 0.223 254 S C 0.394 175.022 174.600 0.047 0.000 0.969 254 S CA -0.507 57.711 58.200 0.030 0.000 0.927 254 S CB -0.331 62.885 63.200 0.027 0.000 0.806 254 S HN 0.292 nan 8.310 nan 0.000 0.489 255 L N 2.198 123.457 121.223 0.060 0.000 2.399 255 L HA 0.615 4.955 4.340 -0.000 0.000 0.265 255 L C -2.242 174.699 176.870 0.117 0.000 1.089 255 L CA -2.365 52.540 54.840 0.108 0.000 0.802 255 L CB 0.645 42.805 42.059 0.168 0.000 1.180 255 L HN 0.079 nan 8.230 nan 0.000 0.454 256 P HA 0.316 nan 4.420 nan 0.000 0.283 256 P C -1.481 175.963 177.300 0.239 0.000 1.271 256 P CA -0.675 62.509 63.100 0.141 0.000 0.841 256 P CB 1.114 32.873 31.700 0.099 0.000 1.122 257 D N 0.185 120.703 120.400 0.196 0.000 2.329 257 D HA 0.345 4.984 4.640 -0.000 0.000 0.246 257 D C -0.045 176.390 176.300 0.225 0.000 1.111 257 D CA -0.041 54.123 54.000 0.274 0.000 0.941 257 D CB 0.752 41.657 40.800 0.175 0.000 1.169 257 D HN 0.297 nan 8.370 nan 0.000 0.441 258 I N 0.115 120.846 120.570 0.269 0.000 2.474 258 I HA 0.413 4.583 4.170 -0.000 0.000 0.294 258 I C -1.450 174.734 176.117 0.112 0.000 1.005 258 I CA -0.670 60.687 61.300 0.094 0.000 1.113 258 I CB 1.333 39.338 38.000 0.009 0.000 1.289 258 I HN -0.041 nan 8.210 nan 0.000 0.436 259 V N 7.397 127.277 119.914 -0.055 0.000 2.540 259 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 259 V C -0.778 175.215 176.094 -0.169 0.000 1.035 259 V CA -0.453 61.859 62.300 0.020 0.000 0.873 259 V CB 1.555 33.385 31.823 0.013 0.000 0.992 259 V HN 0.506 nan 8.190 nan 0.000 0.428 260 F N 1.620 121.620 119.950 0.083 0.000 2.436 260 F HA 0.584 5.111 4.527 0.000 0.000 0.340 260 F C 0.759 176.611 175.800 0.087 0.000 1.113 260 F CA -0.367 57.647 58.000 0.023 0.000 1.022 260 F CB 1.977 40.989 39.000 0.020 0.000 1.128 260 F HN 0.344 nan 8.300 nan 0.000 0.466 261 T N 5.390 120.038 114.554 0.156 0.000 2.771 261 T HA 0.658 5.007 4.350 -0.000 0.000 0.281 261 T C -0.296 174.493 174.700 0.149 0.000 0.982 261 T CA -0.421 61.762 62.100 0.140 0.000 0.978 261 T CB 0.494 69.384 68.868 0.036 0.000 0.930 261 T HN 0.298 nan 8.240 nan 0.000 0.447 262 I N 2.425 123.129 120.570 0.223 0.000 2.447 262 I HA 0.299 4.469 4.170 -0.000 0.000 0.287 262 I C 0.002 176.201 176.117 0.136 0.000 1.023 262 I CA -0.763 60.624 61.300 0.146 0.000 1.083 262 I CB 1.728 39.767 38.000 0.066 0.000 1.245 262 I HN 0.531 nan 8.210 nan 0.000 0.434 263 D N 5.121 125.564 120.400 0.071 0.000 2.708 263 D HA -0.195 4.445 4.640 -0.000 0.000 0.236 263 D C 1.175 177.507 176.300 0.054 0.000 1.146 263 D CA 1.785 55.820 54.000 0.059 0.000 0.662 263 D CB -0.685 40.154 40.800 0.064 0.000 1.059 263 D HN 1.168 nan 8.370 nan 0.000 0.428 264 G N -2.202 106.624 108.800 0.044 0.000 2.148 264 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.254 264 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.254 264 G C 0.357 175.255 174.900 -0.004 0.000 0.981 264 G CA 0.393 45.504 45.100 0.019 0.000 0.670 264 G HN 0.805 nan 8.290 nan 0.000 0.528 265 V N 0.447 120.364 119.914 0.005 0.000 2.581 265 V HA 0.512 4.632 4.120 -0.000 0.000 0.303 265 V C 0.325 176.296 176.094 -0.206 0.000 1.041 265 V CA -0.738 61.487 62.300 -0.125 0.000 0.907 265 V CB 1.876 33.590 31.823 -0.183 0.000 0.994 265 V HN 0.376 nan 8.190 nan 0.000 0.442 266 Q N 3.042 122.648 119.800 -0.324 0.000 2.296 266 Q HA 0.432 4.771 4.340 -0.000 0.000 0.257 266 Q C -1.689 174.041 176.000 -0.449 0.000 0.942 266 Q CA -0.203 55.457 55.803 -0.238 0.000 0.939 266 Q CB 1.230 29.906 28.738 -0.103 0.000 1.198 266 Q HN 0.687 nan 8.270 nan 0.000 0.429 267 Y N 3.507 123.808 120.300 0.002 0.000 2.854 267 Y HA 0.280 4.831 4.550 0.000 0.000 0.330 267 Y C -2.101 173.932 175.900 0.221 0.000 1.037 267 Y CA -2.650 55.400 58.100 -0.084 0.000 1.263 267 Y CB 0.689 38.917 38.460 -0.388 0.000 1.120 267 Y HN 0.476 nan 8.280 nan 0.000 0.532 268 P HA 0.238 nan 4.420 nan 0.000 0.278 268 P C -0.682 176.866 177.300 0.413 0.000 1.238 268 P CA -0.178 63.122 63.100 0.333 0.000 0.794 268 P CB 1.784 33.606 31.700 0.205 0.000 0.955 269 L N 1.856 123.330 121.223 0.419 0.000 2.319 269 L HA 0.329 4.669 4.340 -0.000 0.000 0.281 269 L C 0.990 178.072 176.870 0.353 0.000 1.005 269 L CA -0.665 54.414 54.840 0.398 0.000 0.828 269 L CB 1.724 44.108 42.059 0.542 0.000 1.227 269 L HN 0.414 nan 8.230 nan 0.000 0.415 270 S N 2.680 118.475 115.700 0.158 0.000 2.632 270 S HA 0.401 4.871 4.470 -0.000 0.000 0.267 270 S C -1.881 172.552 174.600 -0.278 0.000 1.276 270 S CA -1.120 57.099 58.200 0.031 0.000 0.998 270 S CB 1.262 64.454 63.200 -0.013 0.000 0.953 270 S HN 0.381 nan 8.310 nan 0.000 0.547 271 P HA -0.033 nan 4.420 nan 0.000 0.218 271 P C 1.530 178.481 177.300 -0.580 0.000 1.148 271 P CA 1.077 63.604 63.100 -0.954 0.000 0.822 271 P CB -0.170 31.298 31.700 -0.386 0.000 0.784 272 S N -1.232 114.293 115.700 -0.291 0.000 2.419 272 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 272 S C 1.877 176.385 174.600 -0.154 0.000 1.016 272 S CA 1.191 59.287 58.200 -0.173 0.000 0.974 272 S CB -0.687 62.448 63.200 -0.108 0.000 0.786 272 S HN 0.123 nan 8.310 nan 0.000 0.492 273 A N 0.651 123.369 122.820 -0.169 0.000 1.874 273 A HA 0.022 4.342 4.320 -0.000 0.000 0.214 273 A C 1.853 179.433 177.584 -0.006 0.000 1.189 273 A CA 1.252 53.248 52.037 -0.068 0.000 0.615 273 A CB -0.832 18.164 19.000 -0.007 0.000 0.830 273 A HN 0.762 nan 8.150 nan 0.000 0.443 274 Y N -1.719 118.608 120.300 0.045 0.000 2.529 274 Y HA 0.602 5.152 4.550 -0.001 0.000 0.290 274 Y C 0.183 176.101 175.900 0.030 0.000 1.177 274 Y CA -0.984 57.117 58.100 0.001 0.000 1.305 274 Y CB -0.594 37.868 38.460 0.003 0.000 1.047 274 Y HN 0.082 nan 8.280 nan 0.000 0.522 275 I N 1.833 122.439 120.570 0.061 0.000 2.436 275 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 275 I C -1.319 174.818 176.117 0.032 0.000 1.010 275 I CA -1.076 60.279 61.300 0.091 0.000 1.098 275 I CB 1.724 39.762 38.000 0.063 0.000 1.266 275 I HN -0.108 nan 8.210 nan 0.000 0.434 276 L N 7.046 128.298 121.223 0.049 0.000 2.290 276 L HA 0.302 4.642 4.340 -0.000 0.000 0.284 276 L C 0.045 176.926 176.870 0.019 0.000 1.078 276 L CA -0.123 54.732 54.840 0.025 0.000 0.815 276 L CB 0.782 42.857 42.059 0.027 0.000 1.162 276 L HN 0.493 nan 8.230 nan 0.000 0.435 277 Q N 1.378 121.181 119.800 0.005 0.000 2.357 277 Q HA 0.631 4.971 4.340 -0.000 0.000 0.266 277 Q C -0.474 175.526 176.000 -0.001 0.000 1.021 277 Q CA -0.321 55.484 55.803 0.003 0.000 0.784 277 Q CB 1.484 30.221 28.738 -0.000 0.000 1.243 277 Q HN 0.633 nan 8.270 nan 0.000 0.465 278 D N 2.034 122.436 120.400 0.003 0.000 2.443 278 D HA 0.518 5.157 4.640 -0.000 0.000 0.249 278 D C -0.470 175.831 176.300 0.002 0.000 1.218 278 D CA 0.231 54.231 54.000 0.001 0.000 1.108 278 D CB -0.038 nan 40.800 nan 0.000 1.197 278 D HN 0.734 nan 8.370 nan 0.000 0.600 279 D N -2.170 118.232 120.400 0.003 0.000 2.280 279 D HA 0.552 5.192 4.640 -0.000 0.000 0.236 279 D C 0.660 176.963 176.300 0.005 0.000 1.082 279 D CA 1.081 55.082 54.000 0.003 0.000 0.834 279 D CB -0.280 40.521 40.800 0.002 0.000 1.100 279 D HN 1.458 nan 8.370 nan 0.000 0.486 280 D N -0.923 119.480 120.400 0.005 0.000 3.077 280 D HA 0.364 5.004 4.640 -0.000 0.000 0.212 280 D C 0.667 176.972 176.300 0.009 0.000 1.125 280 D CA 2.030 56.034 54.000 0.007 0.000 0.970 280 D CB -2.130 nan 40.800 nan 0.000 1.110 280 D HN 2.131 nan 8.370 nan 0.000 0.419 281 S N -2.511 113.195 115.700 0.011 0.000 2.622 281 S HA 0.623 5.093 4.470 -0.000 0.000 0.275 281 S C -0.665 173.946 174.600 0.019 0.000 1.112 281 S CA 0.189 58.398 58.200 0.015 0.000 0.837 281 S CB 1.042 nan 63.200 nan 0.000 1.082 281 S HN 1.384 nan 8.310 nan 0.000 0.456 282 c N 2.812 121.428 118.600 0.026 0.000 2.351 282 c HA 0.974 5.543 4.570 -0.000 0.000 0.326 282 c C 0.631 174.750 174.090 0.049 0.000 1.272 282 c CA -0.037 56.313 56.329 0.034 0.000 1.650 282 c CB 0.514 43.046 42.510 0.036 0.000 2.257 282 c HN 1.021 nan 8.230 nan 0.000 0.505 283 T N -0.161 114.428 114.554 0.059 0.000 2.907 283 T HA 0.527 4.877 4.350 -0.000 0.000 0.292 283 T C -0.285 174.484 174.700 0.116 0.000 1.043 283 T CA -0.404 61.742 62.100 0.077 0.000 1.003 283 T CB 1.609 70.513 68.868 0.059 0.000 1.084 283 T HN 0.599 nan 8.240 nan 0.000 0.483 284 S N 0.588 116.380 115.700 0.152 0.000 2.525 284 S HA 0.366 4.835 4.470 -0.000 0.000 0.285 284 S C 1.461 176.184 174.600 0.205 0.000 1.283 284 S CA -0.037 58.307 58.200 0.242 0.000 1.072 284 S CB -0.346 63.005 63.200 0.251 0.000 0.867 284 S HN 1.091 nan 8.310 nan 0.000 0.492 285 G N 4.274 113.187 108.800 0.188 0.000 3.262 285 G HA2 0.263 4.222 3.960 -0.000 0.000 0.228 285 G HA3 0.263 4.222 3.960 -0.000 0.000 0.228 285 G C -0.224 174.574 174.900 -0.170 0.000 1.197 285 G CA -0.214 44.881 45.100 -0.009 0.000 0.819 285 G HN 0.571 nan 8.290 nan 0.000 0.531 286 F N -0.579 119.440 119.950 0.116 0.000 2.507 286 F HA 0.666 5.192 4.527 -0.001 0.000 0.327 286 F C 0.250 176.082 175.800 0.053 0.000 1.068 286 F CA -1.215 56.843 58.000 0.096 0.000 0.965 286 F CB 2.336 41.388 39.000 0.086 0.000 1.192 286 F HN 0.083 nan 8.300 nan 0.000 0.476 287 E N 0.338 120.670 120.200 0.219 0.000 2.392 287 E HA 0.653 5.003 4.350 -0.000 0.000 0.279 287 E C -1.142 175.472 176.600 0.023 0.000 0.964 287 E CA -0.757 55.700 56.400 0.096 0.000 0.777 287 E CB 1.931 31.662 29.700 0.052 0.000 1.249 287 E HN 0.755 nan 8.360 nan 0.000 0.449 288 G N 2.120 110.911 108.800 -0.014 0.000 2.471 288 G HA2 0.727 4.686 3.960 -0.000 0.000 0.332 288 G HA3 0.727 4.686 3.960 -0.000 0.000 0.332 288 G C -0.530 174.317 174.900 -0.088 0.000 1.176 288 G CA -0.757 44.296 45.100 -0.079 0.000 0.949 288 G HN 0.664 nan 8.290 nan 0.000 0.488 289 M N -0.482 119.041 119.600 -0.128 0.000 2.622 289 M HA 0.557 5.037 4.480 -0.000 0.000 0.276 289 M C -2.132 174.103 176.300 -0.108 0.000 1.265 289 M CA -1.000 54.235 55.300 -0.108 0.000 0.850 289 M CB 2.790 35.318 32.600 -0.121 0.000 1.720 289 M HN 0.169 nan 8.290 nan 0.000 0.465 290 D N 2.149 122.502 120.400 -0.079 0.000 2.460 290 D HA 0.466 5.106 4.640 -0.000 0.000 0.232 290 D C -0.959 175.302 176.300 -0.065 0.000 1.079 290 D CA -0.200 53.760 54.000 -0.068 0.000 0.864 290 D CB 2.306 43.079 40.800 -0.046 0.000 1.048 290 D HN 0.401 nan 8.370 nan 0.000 0.523 291 V N 3.963 123.832 119.914 -0.075 0.000 2.649 291 V HA 0.201 4.321 4.120 -0.000 0.000 0.292 291 V C -1.776 174.292 176.094 -0.043 0.000 1.055 291 V CA -1.338 60.923 62.300 -0.065 0.000 1.023 291 V CB 1.270 33.048 31.823 -0.074 0.000 0.992 291 V HN 0.407 nan 8.190 nan 0.000 0.480 292 P HA 0.159 nan 4.420 nan 0.000 0.266 292 P C 0.966 178.255 177.300 -0.019 0.000 1.193 292 P CA 0.795 63.882 63.100 -0.023 0.000 0.770 292 P CB 0.120 31.809 31.700 -0.017 0.000 0.836 293 T N 1.948 116.493 114.554 -0.015 0.000 2.212 293 T HA -0.344 4.006 4.350 -0.000 0.000 0.200 293 T C 1.661 176.356 174.700 -0.008 0.000 1.643 293 T CA 3.849 65.942 62.100 -0.011 0.000 1.063 293 T CB -1.764 67.100 68.868 -0.008 0.000 0.833 293 T HN 0.507 nan 8.240 nan 0.000 0.418 294 S N 0.432 116.128 115.700 -0.006 0.000 2.603 294 S HA 0.298 4.768 4.470 -0.000 0.000 0.229 294 S C 1.187 175.786 174.600 -0.003 0.000 0.972 294 S CA 0.778 58.976 58.200 -0.003 0.000 0.935 294 S CB -0.400 62.799 63.200 -0.002 0.000 0.769 294 S HN 0.886 nan 8.310 nan 0.000 0.536 295 S N 0.789 116.485 115.700 -0.007 0.000 2.584 295 S HA 0.602 5.072 4.470 -0.000 0.000 0.273 295 S C 0.738 175.337 174.600 -0.002 0.000 1.311 295 S CA -0.318 57.878 58.200 -0.007 0.000 1.034 295 S CB 0.597 63.787 63.200 -0.016 0.000 0.939 295 S HN 0.547 nan 8.310 nan 0.000 0.513 296 G N 1.714 110.518 108.800 0.006 0.000 2.535 296 G HA2 0.275 4.235 3.960 -0.000 0.000 0.282 296 G HA3 0.275 4.235 3.960 -0.000 0.000 0.282 296 G C -0.468 174.445 174.900 0.022 0.000 1.350 296 G CA -0.662 44.448 45.100 0.017 0.000 1.039 296 G HN 0.854 nan 8.290 nan 0.000 0.509 297 E N -1.104 119.124 120.200 0.048 0.000 2.415 297 E HA 0.242 4.592 4.350 -0.000 0.000 0.263 297 E C -1.112 175.553 176.600 0.108 0.000 0.995 297 E CA -0.271 56.176 56.400 0.078 0.000 0.915 297 E CB 0.521 30.309 29.700 0.147 0.000 0.951 297 E HN 0.229 nan 8.360 nan 0.000 0.449 298 L N 6.086 127.335 121.223 0.043 0.000 2.436 298 L HA 0.505 4.845 4.340 -0.000 0.000 0.268 298 L C -2.040 174.789 176.870 -0.069 0.000 0.974 298 L CA -0.362 54.506 54.840 0.047 0.000 0.826 298 L CB 1.072 43.112 42.059 -0.031 0.000 1.291 298 L HN 0.552 nan 8.230 nan 0.000 0.406 299 W N 5.401 126.699 121.300 -0.002 0.000 2.689 299 W HA 0.657 5.318 4.660 0.001 0.000 0.340 299 W C -0.493 176.002 176.519 -0.041 0.000 1.060 299 W CA -0.520 56.832 57.345 0.012 0.000 1.218 299 W CB 1.850 31.355 29.460 0.075 0.000 1.410 299 W HN 0.490 nan 8.180 nan 0.000 0.528 300 I N 2.467 123.105 120.570 0.113 0.000 2.362 300 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 300 I C -1.302 174.823 176.117 0.013 0.000 0.994 300 I CA -0.595 60.724 61.300 0.032 0.000 1.158 300 I CB 0.620 38.602 38.000 -0.030 0.000 1.315 300 I HN 0.251 nan 8.210 nan 0.000 0.451 301 L N 8.210 129.374 121.223 -0.097 0.000 2.312 301 L HA 0.601 4.941 4.340 -0.000 0.000 0.287 301 L C 0.903 177.735 176.870 -0.063 0.000 1.091 301 L CA -0.260 54.441 54.840 -0.231 0.000 0.846 301 L CB 0.124 41.805 42.059 -0.631 0.000 1.219 301 L HN 0.905 nan 8.230 nan 0.000 0.439 302 G N 1.057 109.855 108.800 -0.003 0.000 2.671 302 G HA2 0.161 4.121 3.960 -0.000 0.000 0.275 302 G HA3 0.161 4.121 3.960 -0.000 0.000 0.275 302 G C 0.327 175.273 174.900 0.076 0.000 1.368 302 G CA -0.312 44.811 45.100 0.039 0.000 1.044 302 G HN 0.520 nan 8.290 nan 0.000 0.543 303 D N -0.838 119.605 120.400 0.072 0.000 2.170 303 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 303 D C 2.637 178.980 176.300 0.070 0.000 1.004 303 D CA 1.030 55.078 54.000 0.080 0.000 0.860 303 D CB -0.498 40.395 40.800 0.155 0.000 0.931 303 D HN 0.048 nan 8.370 nan 0.000 0.448 304 V N 0.398 120.352 119.914 0.067 0.000 2.317 304 V HA -0.286 3.833 4.120 -0.000 0.000 0.251 304 V C 2.104 178.255 176.094 0.094 0.000 1.065 304 V CA 1.745 64.080 62.300 0.059 0.000 1.049 304 V CB -0.484 31.355 31.823 0.028 0.000 0.651 304 V HN 0.147 nan 8.190 nan 0.000 0.450 305 F N -0.070 119.856 119.950 -0.042 0.000 2.149 305 F HA -0.051 4.475 4.527 -0.001 0.000 0.294 305 F C 2.087 177.891 175.800 0.006 0.000 1.095 305 F CA 1.583 59.572 58.000 -0.019 0.000 1.276 305 F CB -0.115 38.801 39.000 -0.141 0.000 1.023 305 F HN 0.057 nan 8.300 nan 0.000 0.480 306 I N 0.040 120.673 120.570 0.106 0.000 2.286 306 I HA -0.262 3.907 4.170 -0.000 0.000 0.248 306 I C 2.426 178.451 176.117 -0.153 0.000 1.115 306 I CA 1.143 62.428 61.300 -0.026 0.000 1.392 306 I CB -0.542 37.462 38.000 0.006 0.000 1.065 306 I HN 0.048 nan 8.210 nan 0.000 0.418 307 R N 0.512 120.924 120.500 -0.147 0.000 2.200 307 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 307 R C 2.004 178.155 176.300 -0.249 0.000 1.127 307 R CA 1.152 57.136 56.100 -0.194 0.000 0.989 307 R CB 0.140 30.377 30.300 -0.107 0.000 0.869 307 R HN 0.412 nan 8.270 nan 0.000 0.459 308 Q N -1.650 117.934 119.800 -0.360 0.000 2.378 308 Q HA 0.055 4.395 4.340 -0.000 0.000 0.229 308 Q C -0.440 174.977 176.000 -0.972 0.000 0.882 308 Q CA 0.602 56.028 55.803 -0.628 0.000 0.936 308 Q CB 0.783 29.060 28.738 -0.768 0.000 1.092 308 Q HN 0.249 nan 8.270 nan 0.000 0.535 309 Y N 0.301 120.408 120.300 -0.321 0.000 2.447 309 Y HA 0.220 4.770 4.550 -0.001 0.000 0.325 309 Y C -0.527 175.284 175.900 -0.148 0.000 0.976 309 Y CA -2.022 55.911 58.100 -0.279 0.000 1.280 309 Y CB 0.410 38.514 38.460 -0.593 0.000 1.104 309 Y HN -0.017 nan 8.280 nan 0.000 0.486 310 Y N 3.055 123.335 120.300 -0.034 0.000 2.881 310 Y HA 0.080 4.630 4.550 -0.001 0.000 0.335 310 Y C 0.018 175.827 175.900 -0.152 0.000 1.263 310 Y CA 0.414 58.502 58.100 -0.021 0.000 1.572 310 Y CB 0.291 38.799 38.460 0.080 0.000 1.237 310 Y HN 0.566 nan 8.280 nan 0.000 0.568 311 T N 6.516 120.705 114.554 -0.609 0.000 2.829 311 T HA 0.557 4.906 4.350 -0.000 0.000 0.280 311 T C -0.990 173.104 174.700 -1.010 0.000 0.999 311 T CA -0.705 60.932 62.100 -0.771 0.000 0.983 311 T CB 1.312 69.811 68.868 -0.615 0.000 0.968 311 T HN 0.410 nan 8.240 nan 0.000 0.446 312 V N 3.786 123.080 119.914 -1.034 0.000 2.417 312 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 312 V C -1.028 174.495 176.094 -0.953 0.000 1.024 312 V CA -0.831 60.989 62.300 -0.799 0.000 0.861 312 V CB 0.818 32.319 31.823 -0.537 0.000 0.985 312 V HN 0.796 nan 8.190 nan 0.000 0.436 313 F N 2.842 122.225 119.950 -0.945 0.000 2.332 313 F HA 0.414 4.941 4.527 -0.000 0.000 0.368 313 F C 0.308 175.611 175.800 -0.828 0.000 1.110 313 F CA -0.791 56.410 58.000 -1.332 0.000 1.087 313 F CB 1.011 38.480 39.000 -2.552 0.000 1.235 313 F HN 0.397 nan 8.300 nan 0.000 0.470 314 D N 3.230 123.554 120.400 -0.128 0.000 2.396 314 D HA 0.205 4.844 4.640 -0.000 0.000 0.225 314 D C 1.071 177.509 176.300 0.230 0.000 1.121 314 D CA -0.193 53.845 54.000 0.064 0.000 0.853 314 D CB 0.815 41.667 40.800 0.086 0.000 1.043 314 D HN 0.319 nan 8.370 nan 0.000 0.500 315 R N 2.704 123.305 120.500 0.169 0.000 2.200 315 R HA 0.097 4.437 4.340 -0.000 0.000 0.208 315 R C 1.543 177.848 176.300 0.008 0.000 1.033 315 R CA 0.612 56.787 56.100 0.126 0.000 1.000 315 R CB -0.281 30.074 30.300 0.092 0.000 0.906 315 R HN 0.492 nan 8.270 nan 0.000 0.462 316 A N 1.250 124.031 122.820 -0.065 0.000 1.898 316 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 316 A C 1.364 178.930 177.584 -0.031 0.000 1.181 316 A CA 1.453 53.434 52.037 -0.094 0.000 0.620 316 A CB -0.313 18.604 19.000 -0.138 0.000 0.819 316 A HN 0.401 nan 8.150 nan 0.000 0.442 317 N N -0.792 117.891 118.700 -0.027 0.000 2.205 317 N HA 0.125 4.865 4.740 -0.000 0.000 0.201 317 N C -0.695 174.849 175.510 0.056 0.000 1.128 317 N CA 0.141 53.181 53.050 -0.017 0.000 0.867 317 N CB 0.075 38.498 38.487 -0.106 0.000 0.996 317 N HN 0.547 nan 8.380 nan 0.000 0.503 318 N N 0.944 119.728 118.700 0.138 0.000 2.727 318 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 318 N C -1.351 174.301 175.510 0.237 0.000 1.040 318 N CA 0.719 53.905 53.050 0.226 0.000 0.712 318 N CB -0.348 38.233 38.487 0.156 0.000 0.912 318 N HN 0.203 nan 8.380 nan 0.000 0.545 319 K N -0.271 120.307 120.400 0.296 0.000 2.480 319 K HA 0.686 5.006 4.320 -0.000 0.000 0.258 319 K C -0.601 176.200 176.600 0.334 0.000 0.990 319 K CA -0.730 55.740 56.287 0.305 0.000 0.857 319 K CB 2.288 35.008 32.500 0.367 0.000 1.384 319 K HN -0.077 nan 8.250 nan 0.000 0.446 320 V N 0.273 120.298 119.914 0.185 0.000 2.628 320 V HA 0.674 4.794 4.120 -0.000 0.000 0.306 320 V C 0.156 176.044 176.094 -0.344 0.000 1.045 320 V CA -0.717 61.489 62.300 -0.156 0.000 0.905 320 V CB 1.984 33.669 31.823 -0.230 0.000 0.997 320 V HN 0.911 nan 8.190 nan 0.000 0.436 321 G N 3.456 111.769 108.800 -0.813 0.000 2.481 321 G HA2 0.817 4.776 3.960 -0.000 0.000 0.315 321 G HA3 0.817 4.776 3.960 -0.000 0.000 0.315 321 G C -1.573 172.797 174.900 -0.883 0.000 1.231 321 G CA -0.578 43.733 45.100 -1.316 0.000 0.968 321 G HN 0.578 nan 8.290 nan 0.000 0.482 322 L N 0.309 121.126 121.223 -0.677 0.000 2.445 322 L HA 0.848 5.188 4.340 -0.000 0.000 0.262 322 L C -0.133 176.607 176.870 -0.217 0.000 0.974 322 L CA -0.896 53.697 54.840 -0.410 0.000 0.822 322 L CB 2.479 44.314 42.059 -0.374 0.000 1.339 322 L HN 0.824 nan 8.230 nan 0.000 0.409 323 A N 2.262 125.052 122.820 -0.051 0.000 2.589 323 A HA 0.871 5.191 4.320 -0.000 0.000 0.296 323 A C -2.986 174.772 177.584 0.290 0.000 1.062 323 A CA -1.426 50.668 52.037 0.096 0.000 0.686 323 A CB 1.783 20.721 19.000 -0.102 0.000 1.282 323 A HN 0.335 nan 8.150 nan 0.000 0.404 324 P HA 0.246 nan 4.420 nan 0.000 0.262 324 P C 0.506 177.871 177.300 0.108 0.000 1.182 324 P CA 0.145 63.352 63.100 0.177 0.000 0.761 324 P CB 0.224 32.017 31.700 0.155 0.000 0.795 325 V N 0.880 120.787 119.914 -0.012 0.000 3.287 325 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 325 V C 0.481 176.610 176.094 0.058 0.000 1.103 325 V CA -0.430 61.919 62.300 0.083 0.000 1.159 325 V CB -0.412 31.462 31.823 0.086 0.000 1.036 325 V HN 0.676 nan 8.190 nan 0.000 0.487 326 A N 0.000 122.862 122.820 0.071 0.000 2.254 326 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 326 A CA 0.000 52.043 52.037 0.010 0.000 0.836 326 A CB 0.000 18.954 19.000 -0.077 0.000 0.831 326 A HN 0.000 nan 8.150 nan 0.000 0.486