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 1lnq_1_A DATA FIRST_RESID 19 DATA SEQUENCE PATRILLLVL AVIIYGTAGF HFIEGESWTV SLYWTFVTIA TVGYGDYSPS DATA SEQUENCE TPLGMYFTVT LIVLGIGTFA VAVERLLEFL XXXXXXXXXX XXXXXXXRHV DATA SEQUENCE VICGWSESTL ECLRELRGSE VFVLAEDENV RKKVLRSGAN FVHGDPTRVS DATA SEQUENCE DLEKANVRGA RAVIVDLESD SETIHCILGI RKIDESVRII AEAERYENIE DATA SEQUENCE QLRMAGADQV ISPFVISGRL MSRSIDDGYE AMFVQDVLAE ESTRRMVEVP DATA SEQUENCE IPEGSKLEGV SVLDADIHDV TGVIIIGVGR GDELIIDPPR DYSFRAGDII DATA SEQUENCE LGIGKPEEIE RLKNYISA 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 19 P HA 0.000 nan 4.420 nan 0.000 0.216 19 P C 0.000 177.298 177.300 -0.003 0.000 1.155 19 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 19 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 20 A N -1.097 121.721 122.820 -0.003 0.000 2.072 20 A HA 0.433 4.753 4.320 0.000 0.000 0.216 20 A C 2.048 179.630 177.584 -0.003 0.000 1.156 20 A CA 2.798 54.833 52.037 -0.003 0.000 0.701 20 A CB -0.599 18.398 19.000 -0.004 0.000 0.816 20 A HN 1.006 nan 8.150 nan 0.000 0.458 21 T N -2.269 112.283 114.554 -0.003 0.000 3.069 21 T HA 0.406 4.756 4.350 0.000 0.000 0.252 21 T C 1.702 176.401 174.700 -0.003 0.000 1.053 21 T CA 1.009 63.107 62.100 -0.003 0.000 0.964 21 T CB -0.285 68.581 68.868 -0.003 0.000 1.005 21 T HN 0.474 nan 8.240 nan 0.000 0.532 22 R N 0.375 120.874 120.500 -0.002 0.000 2.280 22 R HA 0.695 5.035 4.340 0.000 0.000 0.195 22 R C 2.247 178.546 176.300 -0.002 0.000 0.935 22 R CA 0.997 57.095 56.100 -0.002 0.000 1.033 22 R CB -1.295 29.004 30.300 -0.002 0.000 0.964 22 R HN 0.803 nan 8.270 nan 0.000 0.489 23 I N -0.685 119.884 120.570 -0.002 0.000 3.226 23 I HA 0.507 4.677 4.170 0.000 0.000 0.277 23 I C 2.567 178.683 176.117 -0.002 0.000 1.243 23 I CA 1.210 62.509 61.300 -0.002 0.000 1.459 23 I CB -0.739 37.260 38.000 -0.002 0.000 1.093 23 I HN 0.468 nan 8.210 nan 0.000 0.453 24 L N -0.630 120.591 121.223 -0.002 0.000 2.599 24 L HA 0.611 4.951 4.340 0.000 0.000 0.230 24 L C 2.432 179.301 176.870 -0.002 0.000 1.141 24 L CA 1.612 56.450 54.840 -0.002 0.000 0.877 24 L CB -1.668 40.390 42.059 -0.002 0.000 1.009 24 L HN 0.953 nan 8.230 nan 0.000 0.447 25 L N -2.688 118.534 121.223 -0.002 0.000 2.515 25 L HA 0.582 4.922 4.340 0.000 0.000 0.223 25 L C 2.683 179.552 176.870 -0.001 0.000 1.079 25 L CA 1.667 56.506 54.840 -0.002 0.000 0.857 25 L CB -0.985 41.073 42.059 -0.001 0.000 1.050 25 L HN 0.695 nan 8.230 nan 0.000 0.476 26 L N -1.005 120.217 121.223 -0.001 0.000 2.162 26 L HA 0.508 4.848 4.340 0.000 0.000 0.205 26 L C 2.694 179.564 176.870 -0.001 0.000 1.086 26 L CA 1.927 56.767 54.840 -0.001 0.000 0.778 26 L CB -1.364 40.694 42.059 -0.001 0.000 0.928 26 L HN 0.691 nan 8.230 nan 0.000 0.446 27 V N -1.282 118.631 119.914 -0.001 0.000 3.573 27 V HA 0.395 4.515 4.120 0.000 0.000 0.270 27 V C 2.366 178.460 176.094 -0.001 0.000 1.221 27 V CA 2.016 64.315 62.300 -0.001 0.000 1.163 27 V CB -0.529 31.293 31.823 -0.001 0.000 0.847 27 V HN 0.826 nan 8.190 nan 0.000 0.468 28 L N -1.959 119.263 121.223 -0.001 0.000 2.515 28 L HA 0.749 5.089 4.340 0.000 0.000 0.223 28 L C 2.370 179.240 176.870 -0.001 0.000 1.079 28 L CA 1.702 56.542 54.840 -0.001 0.000 0.857 28 L CB -0.813 41.245 42.059 -0.001 0.000 1.050 28 L HN 0.563 nan 8.230 nan 0.000 0.476 29 A N -0.693 122.126 122.820 -0.001 0.000 2.081 29 A HA 0.419 4.739 4.320 0.000 0.000 0.214 29 A C 2.279 179.863 177.584 -0.001 0.000 1.158 29 A CA 1.379 53.416 52.037 -0.001 0.000 0.724 29 A CB -0.560 18.439 19.000 -0.001 0.000 0.826 29 A HN 1.210 nan 8.150 nan 0.000 0.463 30 V N -0.459 119.455 119.914 -0.001 0.000 2.970 30 V HA 0.092 4.212 4.120 0.000 0.000 0.260 30 V C 2.443 178.536 176.094 -0.001 0.000 1.100 30 V CA 2.202 64.502 62.300 -0.001 0.000 1.122 30 V CB -1.008 30.814 31.823 -0.001 0.000 0.721 30 V HN 0.572 nan 8.190 nan 0.000 0.483 31 I N -0.736 119.834 120.570 -0.001 0.000 3.030 31 I HA 0.336 4.506 4.170 0.000 0.000 0.270 31 I C 2.326 178.443 176.117 -0.001 0.000 1.211 31 I CA 1.785 63.084 61.300 -0.001 0.000 1.479 31 I CB -0.676 37.323 38.000 -0.001 0.000 1.105 31 I HN 0.558 nan 8.210 nan 0.000 0.447 32 I N -1.394 119.175 120.570 -0.001 0.000 3.728 32 I HA 0.414 4.584 4.170 0.000 0.000 0.307 32 I C 2.230 178.347 176.117 -0.001 0.000 1.276 32 I CA 1.360 62.659 61.300 -0.001 0.000 1.285 32 I CB -1.688 36.312 38.000 -0.001 0.000 1.038 32 I HN 0.807 nan 8.210 nan 0.000 0.445 33 Y N -0.678 119.621 120.300 -0.001 0.000 2.535 33 Y HA 0.499 5.049 4.550 0.000 0.000 0.264 33 Y C 2.348 178.248 175.900 -0.001 0.000 1.087 33 Y CA 0.960 59.060 58.100 -0.001 0.000 1.285 33 Y CB -0.205 38.255 38.460 -0.001 0.000 1.200 33 Y HN 0.388 nan 8.280 nan 0.000 0.514 34 G N -0.742 108.058 108.800 -0.001 0.000 2.492 34 G HA2 0.188 4.148 3.960 0.000 0.000 0.214 34 G HA3 0.188 4.148 3.960 0.000 0.000 0.214 34 G C 1.561 176.460 174.900 -0.001 0.000 1.147 34 G CA 1.584 46.684 45.100 -0.001 0.000 0.809 34 G HN 0.721 nan 8.290 nan 0.000 0.533 35 T N 0.443 114.996 114.554 -0.001 0.000 3.081 35 T HA 0.586 4.936 4.350 0.000 0.000 0.255 35 T C 2.249 176.949 174.700 -0.001 0.000 1.113 35 T CA 1.405 63.504 62.100 -0.001 0.000 1.082 35 T CB -0.070 68.798 68.868 -0.001 0.000 0.939 35 T HN 0.300 nan 8.240 nan 0.000 0.506 36 A N 1.232 124.052 122.820 -0.001 0.000 1.929 36 A HA 0.371 4.691 4.320 0.000 0.000 0.216 36 A C 2.627 180.211 177.584 -0.000 0.000 1.176 36 A CA 1.533 53.569 52.037 -0.001 0.000 0.628 36 A CB -0.866 18.134 19.000 -0.001 0.000 0.816 36 A HN 0.501 nan 8.150 nan 0.000 0.444 37 G N -2.289 106.511 108.800 -0.000 0.000 2.848 37 G HA2 0.185 4.145 3.960 0.000 0.000 0.208 37 G HA3 0.185 4.145 3.960 0.000 0.000 0.208 37 G C 1.186 176.086 174.900 -0.000 0.000 1.152 37 G CA 1.118 46.218 45.100 -0.000 0.000 0.789 37 G HN 0.619 nan 8.290 nan 0.000 0.531 38 F N -0.013 119.936 119.950 -0.000 0.000 2.149 38 F HA 0.165 4.692 4.527 0.000 0.000 0.294 38 F C 2.512 178.312 175.800 -0.000 0.000 1.095 38 F CA 1.801 59.800 58.000 -0.000 0.000 1.276 38 F CB -1.129 37.871 39.000 -0.000 0.000 1.023 38 F HN 0.542 nan 8.300 nan 0.000 0.480 39 H N -2.229 116.841 119.070 -0.000 0.000 2.547 39 H HA 0.396 4.952 4.556 0.000 0.000 0.266 39 H C 1.941 177.269 175.328 -0.000 0.000 0.988 39 H CA 1.398 57.445 56.048 -0.000 0.000 1.147 39 H CB -1.372 28.390 29.762 -0.000 0.000 1.365 39 H HN 1.012 nan 8.280 nan 0.000 0.589 40 F N -0.058 119.891 119.950 -0.000 0.000 2.514 40 F HA 0.505 5.032 4.527 0.000 0.000 0.281 40 F C 2.158 177.958 175.800 -0.000 0.000 1.060 40 F CA 0.596 58.596 58.000 -0.000 0.000 1.397 40 F CB -0.157 38.843 39.000 -0.000 0.000 1.129 40 F HN 0.579 nan 8.300 nan 0.000 0.620 41 I N 0.957 121.527 120.570 -0.000 0.000 3.731 41 I HA 0.707 4.877 4.170 0.000 0.000 0.341 41 I C -0.055 176.061 176.117 -0.000 0.000 1.532 41 I CA 0.762 62.061 61.300 -0.000 0.000 1.163 41 I CB -1.174 36.826 38.000 -0.000 0.000 1.339 41 I HN 1.000 nan 8.210 nan 0.000 0.449 42 E N -0.626 119.574 120.200 -0.000 0.000 2.094 42 E HA 0.663 5.013 4.350 0.000 0.000 0.237 42 E C 0.604 177.204 176.600 -0.000 0.000 1.460 42 E CA -0.257 56.142 56.400 -0.000 0.000 0.965 42 E CB -0.421 29.279 29.700 -0.000 0.000 1.641 42 E HN 1.695 nan 8.360 nan 0.000 0.532 43 G N 0.703 109.503 108.800 -0.000 0.000 2.367 43 G HA2 0.550 4.510 3.960 0.000 0.000 0.282 43 G HA3 0.550 4.510 3.960 0.000 0.000 0.282 43 G C 0.558 175.457 174.900 -0.000 0.000 1.140 43 G CA 0.992 46.092 45.100 -0.000 0.000 1.088 43 G HN 1.324 nan 8.290 nan 0.000 0.431 44 E N 0.628 120.828 120.200 -0.000 0.000 2.708 44 E HA 0.417 4.767 4.350 0.000 0.000 0.260 44 E C 0.659 177.259 176.600 -0.000 0.000 0.937 44 E CA 0.727 57.127 56.400 -0.000 0.000 0.953 44 E CB -0.174 29.525 29.700 -0.000 0.000 0.915 44 E HN 2.059 nan 8.360 nan 0.000 0.487 45 S N -0.788 114.912 115.700 -0.000 0.000 2.888 45 S HA 0.401 4.871 4.470 0.000 0.000 0.145 45 S C 0.679 175.279 174.600 -0.000 0.000 0.705 45 S CA 0.416 58.615 58.200 -0.000 0.000 0.891 45 S CB -1.211 61.989 63.200 -0.000 0.000 1.592 45 S HN 1.899 nan 8.310 nan 0.000 0.514 46 W N 0.929 122.229 121.300 -0.000 0.000 2.721 46 W HA 0.356 5.016 4.660 0.000 0.000 0.245 46 W C 1.609 178.128 176.519 -0.000 0.000 1.276 46 W CA 1.718 59.062 57.345 -0.000 0.000 1.342 46 W CB -1.172 28.288 29.460 -0.000 0.000 1.135 46 W HN 1.159 nan 8.180 nan 0.000 0.654 47 T N -0.345 114.209 114.554 -0.000 0.000 2.837 47 T HA 0.337 4.687 4.350 0.000 0.000 0.248 47 T C 1.774 176.474 174.700 -0.000 0.000 1.033 47 T CA 2.432 64.531 62.100 -0.000 0.000 1.150 47 T CB -0.682 68.186 68.868 -0.000 0.000 0.865 47 T HN 1.070 nan 8.240 nan 0.000 0.425 48 V N 1.223 121.137 119.914 -0.000 0.000 3.164 48 V HA 0.750 4.870 4.120 0.000 0.000 0.388 48 V C 2.106 178.200 176.094 -0.000 0.000 1.279 48 V CA 0.997 63.297 62.300 -0.000 0.000 1.426 48 V CB -1.275 30.548 31.823 -0.000 0.000 1.330 48 V HN 0.689 nan 8.190 nan 0.000 0.511 49 S N 0.258 115.958 115.700 -0.000 0.000 2.387 49 S HA 0.205 4.675 4.470 0.000 0.000 0.221 49 S C 2.026 176.625 174.600 -0.001 0.000 1.041 49 S CA 1.673 59.873 58.200 -0.000 0.000 0.959 49 S CB -0.294 62.906 63.200 -0.001 0.000 0.843 49 S HN 1.447 nan 8.310 nan 0.000 0.488 50 L N 0.356 121.578 121.223 -0.001 0.000 2.201 50 L HA 0.186 4.526 4.340 0.000 0.000 0.212 50 L C 2.897 179.767 176.870 -0.001 0.000 1.105 50 L CA 2.350 57.190 54.840 -0.001 0.000 0.775 50 L CB -2.628 39.430 42.059 -0.001 0.000 0.913 50 L HN 0.846 nan 8.230 nan 0.000 0.440 51 Y N -2.884 117.416 120.300 -0.001 0.000 2.333 51 Y HA -0.033 4.517 4.550 0.000 0.000 0.290 51 Y C 2.627 178.526 175.900 -0.001 0.000 1.144 51 Y CA 2.845 60.945 58.100 -0.001 0.000 1.228 51 Y CB -1.445 37.015 38.460 -0.000 0.000 0.985 51 Y HN 0.848 nan 8.280 nan 0.000 0.542 52 W N 0.042 121.341 121.300 -0.001 0.000 2.481 52 W HA 0.167 4.827 4.660 0.000 0.000 0.293 52 W C 2.694 179.213 176.519 -0.001 0.000 1.201 52 W CA 2.454 59.799 57.345 -0.001 0.000 1.328 52 W CB -1.135 28.324 29.460 -0.000 0.000 1.112 52 W HN 0.620 nan 8.180 nan 0.000 0.546 53 T N -0.095 114.458 114.554 -0.001 0.000 2.674 53 T HA 0.061 4.411 4.350 0.000 0.000 0.265 53 T C 2.248 176.947 174.700 -0.001 0.000 1.039 53 T CA 3.828 65.928 62.100 -0.001 0.000 1.150 53 T CB -1.179 67.689 68.868 -0.001 0.000 0.864 53 T HN 1.074 nan 8.240 nan 0.000 0.427 54 F N 1.480 121.429 119.950 -0.001 0.000 2.126 54 F HA 0.277 4.804 4.527 0.000 0.000 0.299 54 F C 3.170 178.970 175.800 -0.001 0.000 1.096 54 F CA 2.180 60.179 58.000 -0.001 0.000 1.255 54 F CB -1.335 37.664 39.000 -0.001 0.000 0.997 54 F HN 0.438 nan 8.300 nan 0.000 0.479 55 V N 0.343 120.257 119.914 -0.001 0.000 2.407 55 V HA -0.111 4.009 4.120 0.000 0.000 0.248 55 V C 2.534 178.628 176.094 -0.001 0.000 1.055 55 V CA 4.097 66.397 62.300 -0.001 0.000 1.049 55 V CB -1.805 30.018 31.823 -0.001 0.000 0.662 55 V HN 0.702 nan 8.190 nan 0.000 0.455 56 T N -0.434 114.119 114.554 -0.001 0.000 2.770 56 T HA 0.097 4.447 4.350 0.000 0.000 0.263 56 T C 2.293 176.993 174.700 -0.001 0.000 1.039 56 T CA 3.233 65.333 62.100 -0.001 0.000 1.142 56 T CB -0.599 68.269 68.868 -0.001 0.000 0.868 56 T HN 1.148 nan 8.240 nan 0.000 0.435 57 I N 1.407 121.976 120.570 -0.001 0.000 2.454 57 I HA 0.540 4.710 4.170 0.000 0.000 0.254 57 I C 2.675 178.791 176.117 -0.001 0.000 1.156 57 I CA 1.808 63.107 61.300 -0.001 0.000 1.433 57 I CB -1.665 36.334 38.000 -0.001 0.000 1.082 57 I HN 0.598 nan 8.210 nan 0.000 0.432 58 A N 0.338 123.158 122.820 -0.001 0.000 2.310 58 A HA 0.421 4.741 4.320 0.000 0.000 0.230 58 A C 1.698 179.281 177.584 -0.001 0.000 1.294 58 A CA 1.203 53.240 52.037 -0.001 0.000 0.898 58 A CB -1.896 17.103 19.000 -0.001 0.000 0.917 58 A HN 2.182 nan 8.150 nan 0.000 0.491 59 T N -2.659 111.895 114.554 -0.001 0.000 3.830 59 T HA -0.138 4.212 4.350 0.000 0.000 0.351 59 T C 1.540 176.240 174.700 -0.001 0.000 0.758 59 T CA 1.855 63.954 62.100 -0.001 0.000 1.857 59 T CB -2.322 66.546 68.868 -0.001 0.000 1.864 59 T HN 1.430 nan 8.240 nan 0.000 0.772 60 V N 0.001 119.914 119.914 -0.001 0.000 2.278 60 V HA 0.566 4.686 4.120 0.000 0.000 0.238 60 V C 2.953 179.047 176.094 -0.000 0.000 1.039 60 V CA 1.864 64.164 62.300 -0.001 0.000 1.017 60 V CB -0.865 30.958 31.823 -0.001 0.000 0.657 60 V HN 2.358 nan 8.190 nan 0.000 0.462 61 G N -2.382 106.418 108.800 -0.000 0.000 2.272 61 G HA2 -0.176 3.784 3.960 0.000 0.000 0.280 61 G HA3 -0.176 3.784 3.960 0.000 0.000 0.280 61 G C 0.627 175.526 174.900 -0.000 0.000 1.067 61 G CA 1.226 46.326 45.100 -0.000 0.000 0.902 61 G HN 2.089 nan 8.290 nan 0.000 0.500 62 Y N -1.195 119.105 120.300 -0.000 0.000 2.081 62 Y HA 0.258 4.808 4.550 0.000 0.000 0.280 62 Y C 3.060 178.960 175.900 -0.000 0.000 1.163 62 Y CA 2.366 60.466 58.100 -0.000 0.000 1.135 62 Y CB -0.195 38.265 38.460 -0.000 0.000 0.970 62 Y HN 2.245 nan 8.280 nan 0.000 0.498 63 G N -2.809 105.991 108.800 -0.000 0.000 2.161 63 G HA2 0.189 4.149 3.960 0.000 0.000 0.140 63 G HA3 0.189 4.149 3.960 0.000 0.000 0.140 63 G C 0.351 175.250 174.900 -0.000 0.000 1.040 63 G CA 0.860 45.959 45.100 -0.000 0.000 0.735 63 G HN 1.365 nan 8.290 nan 0.000 0.496 64 D N -1.030 119.369 120.400 -0.000 0.000 2.378 64 D HA 0.579 5.219 4.640 0.000 0.000 0.227 64 D C 0.848 177.148 176.300 -0.000 0.000 1.012 64 D CA 1.611 55.611 54.000 -0.000 0.000 0.905 64 D CB -0.539 40.260 40.800 -0.000 0.000 0.895 64 D HN 2.110 nan 8.370 nan 0.000 0.532 65 Y N -2.774 117.526 120.300 -0.000 0.000 2.105 65 Y HA 0.584 5.134 4.550 0.000 0.000 0.312 65 Y C 1.100 177.000 175.900 -0.000 0.000 1.205 65 Y CA -0.108 57.992 58.100 -0.000 0.000 1.583 65 Y CB 0.248 38.708 38.460 -0.000 0.000 1.301 65 Y HN 0.486 nan 8.280 nan 0.000 0.376 66 S N 2.062 117.761 115.700 -0.000 0.000 2.660 66 S HA 0.470 4.940 4.470 0.000 0.000 0.228 66 S C 0.312 174.912 174.600 -0.000 0.000 0.966 66 S CA 0.330 58.530 58.200 -0.000 0.000 0.940 66 S CB -1.408 61.791 63.200 -0.000 0.000 0.773 66 S HN 2.498 nan 8.310 nan 0.000 0.535 67 P HA 0.119 nan 4.420 nan 0.000 0.014 67 P C 0.091 177.391 177.300 -0.000 0.000 0.567 67 P CA 1.273 64.373 63.100 -0.000 0.000 1.035 67 P CB -2.329 29.371 31.700 -0.000 0.000 1.909 68 S N -0.256 115.444 115.700 -0.000 0.000 2.439 68 S HA 0.802 5.272 4.470 0.000 0.000 0.282 68 S C 1.219 175.818 174.600 -0.000 0.000 1.170 68 S CA 1.236 59.436 58.200 -0.000 0.000 1.054 68 S CB 0.389 63.589 63.200 -0.000 0.000 0.956 68 S HN 1.592 nan 8.310 nan 0.000 0.490 69 T N 0.744 115.298 114.554 -0.000 0.000 3.661 69 T HA 0.630 4.980 4.350 0.000 0.000 0.287 69 T C -0.167 174.533 174.700 -0.000 0.000 0.892 69 T CA 1.558 63.658 62.100 -0.000 0.000 0.775 69 T CB -1.331 67.537 68.868 -0.000 0.000 1.216 69 T HN 1.554 nan 8.240 nan 0.000 0.850 70 P HA -0.135 nan 4.420 nan 0.000 0.223 70 P C 1.733 179.033 177.300 -0.000 0.000 0.505 70 P CA 3.793 66.893 63.100 -0.000 0.000 1.089 70 P CB -1.735 29.965 31.700 -0.000 0.000 0.496 71 L N -1.557 119.665 121.223 -0.000 0.000 2.240 71 L HA 0.558 4.898 4.340 0.000 0.000 0.211 71 L C 2.855 179.725 176.870 -0.000 0.000 1.106 71 L CA 2.968 57.808 54.840 -0.000 0.000 0.793 71 L CB -1.721 40.338 42.059 -0.000 0.000 0.927 71 L HN 0.835 nan 8.230 nan 0.000 0.446 72 G N -2.067 106.733 108.800 -0.000 0.000 2.813 72 G HA2 0.237 4.197 3.960 0.000 0.000 0.209 72 G HA3 0.237 4.197 3.960 0.000 0.000 0.209 72 G C 1.522 176.422 174.900 -0.000 0.000 1.150 72 G CA 1.498 46.598 45.100 -0.000 0.000 0.785 72 G HN 0.842 nan 8.290 nan 0.000 0.535 73 M N -0.338 119.261 119.600 -0.000 0.000 2.506 73 M HA 0.395 4.875 4.480 0.000 0.000 0.260 73 M C 2.516 178.816 176.300 -0.000 0.000 1.104 73 M CA 1.520 56.820 55.300 -0.000 0.000 1.112 73 M CB -1.704 30.895 32.600 -0.000 0.000 1.401 73 M HN 0.583 nan 8.290 nan 0.000 0.473 74 Y N -2.025 118.275 120.300 -0.000 0.000 2.420 74 Y HA 0.301 4.851 4.550 0.000 0.000 0.292 74 Y C 2.421 178.321 175.900 -0.000 0.000 1.119 74 Y CA 1.721 59.821 58.100 -0.000 0.000 1.229 74 Y CB -1.293 37.166 38.460 -0.000 0.000 1.026 74 Y HN 0.846 nan 8.280 nan 0.000 0.554 75 F N 0.261 120.211 119.950 -0.000 0.000 2.473 75 F HA 0.250 4.777 4.527 0.000 0.000 0.294 75 F C 2.491 178.290 175.800 -0.000 0.000 1.103 75 F CA 1.872 59.872 58.000 -0.000 0.000 1.442 75 F CB -1.352 37.648 39.000 -0.000 0.000 1.097 75 F HN 0.451 nan 8.300 nan 0.000 0.547 76 T N -0.678 113.875 114.554 -0.000 0.000 3.023 76 T HA 0.267 4.617 4.350 0.000 0.000 0.266 76 T C 2.167 176.867 174.700 -0.000 0.000 1.093 76 T CA 1.872 63.972 62.100 -0.000 0.000 1.129 76 T CB -0.927 67.940 68.868 -0.000 0.000 0.899 76 T HN 0.954 nan 8.240 nan 0.000 0.491 77 V N 0.980 120.894 119.914 -0.000 0.000 2.719 77 V HA 0.305 4.425 4.120 0.000 0.000 0.252 77 V C 2.832 178.925 176.094 -0.000 0.000 1.065 77 V CA 2.437 64.736 62.300 -0.000 0.000 1.086 77 V CB -1.582 30.241 31.823 -0.000 0.000 0.700 77 V HN 0.549 nan 8.190 nan 0.000 0.467 78 T N -0.583 113.970 114.554 -0.000 0.000 2.867 78 T HA 0.160 4.510 4.350 0.000 0.000 0.268 78 T C 2.038 176.738 174.700 -0.001 0.000 1.057 78 T CA 2.792 64.891 62.100 -0.001 0.000 1.136 78 T CB -0.566 68.302 68.868 -0.001 0.000 0.874 78 T HN 1.123 nan 8.240 nan 0.000 0.466 79 L N 0.454 121.677 121.223 -0.001 0.000 2.478 79 L HA 0.594 4.934 4.340 0.000 0.000 0.223 79 L C 2.982 179.851 176.870 -0.001 0.000 1.140 79 L CA 1.684 56.523 54.840 -0.001 0.000 0.842 79 L CB -1.780 40.279 42.059 -0.001 0.000 0.953 79 L HN 0.724 nan 8.230 nan 0.000 0.452 80 I N -1.905 118.664 120.570 -0.001 0.000 2.731 80 I HA 0.403 4.573 4.170 0.000 0.000 0.260 80 I C 2.611 178.728 176.117 -0.001 0.000 1.138 80 I CA 1.751 63.051 61.300 -0.001 0.000 1.461 80 I CB -0.849 37.151 38.000 -0.001 0.000 1.128 80 I HN 0.433 nan 8.210 nan 0.000 0.438 81 V N 0.646 120.560 119.914 -0.001 0.000 2.283 81 V HA 0.132 4.252 4.120 0.000 0.000 0.243 81 V C 2.601 178.695 176.094 -0.001 0.000 1.039 81 V CA 2.896 65.195 62.300 -0.001 0.000 1.016 81 V CB -1.102 30.720 31.823 -0.001 0.000 0.650 81 V HN 1.144 nan 8.190 nan 0.000 0.449 82 L N 0.610 121.832 121.223 -0.001 0.000 2.660 82 L HA 0.610 4.950 4.340 0.000 0.000 0.238 82 L C 2.121 178.991 176.870 -0.001 0.000 1.161 82 L CA 1.319 56.158 54.840 -0.001 0.000 0.937 82 L CB -1.663 40.395 42.059 -0.001 0.000 1.122 82 L HN 0.563 nan 8.230 nan 0.000 0.435 83 G N -1.093 107.706 108.800 -0.001 0.000 2.511 83 G HA2 0.195 4.155 3.960 0.000 0.000 0.217 83 G HA3 0.195 4.155 3.960 0.000 0.000 0.217 83 G C 1.291 176.191 174.900 -0.001 0.000 1.133 83 G CA 1.523 46.622 45.100 -0.001 0.000 0.792 83 G HN 0.945 nan 8.290 nan 0.000 0.539 84 I N 0.377 120.946 120.570 -0.001 0.000 3.854 84 I HA 0.539 4.709 4.170 0.000 0.000 0.312 84 I C 2.381 178.497 176.117 -0.001 0.000 1.273 84 I CA 1.037 62.336 61.300 -0.001 0.000 1.298 84 I CB -0.619 37.381 38.000 -0.001 0.000 1.071 84 I HN 0.170 nan 8.210 nan 0.000 0.428 85 G N -0.039 108.760 108.800 -0.001 0.000 3.155 85 G HA2 0.369 4.329 3.960 0.000 0.000 0.213 85 G HA3 0.369 4.329 3.960 0.000 0.000 0.213 85 G C 0.908 175.807 174.900 -0.001 0.000 1.196 85 G CA 1.336 46.435 45.100 -0.001 0.000 0.846 85 G HN 0.929 nan 8.290 nan 0.000 0.516 86 T N -3.335 111.218 114.554 -0.001 0.000 3.123 86 T HA 0.389 4.739 4.350 0.000 0.000 0.259 86 T C 1.695 176.394 174.700 -0.001 0.000 0.871 86 T CA 0.960 63.059 62.100 -0.001 0.000 0.857 86 T CB -0.214 68.653 68.868 -0.001 0.000 1.267 86 T HN 0.323 nan 8.240 nan 0.000 0.556 87 F N 1.572 121.521 119.950 -0.001 0.000 2.262 87 F HA 0.689 5.216 4.527 0.000 0.000 0.292 87 F C 2.690 178.489 175.800 -0.002 0.000 1.081 87 F CA 1.037 59.036 58.000 -0.001 0.000 1.355 87 F CB -0.914 38.086 39.000 -0.001 0.000 1.069 87 F HN 0.450 nan 8.300 nan 0.000 0.506 88 A N -0.196 122.623 122.820 -0.002 0.000 2.238 88 A HA 0.433 4.753 4.320 0.000 0.000 0.208 88 A C 2.000 179.583 177.584 -0.002 0.000 1.177 88 A CA 1.414 53.450 52.037 -0.002 0.000 0.804 88 A CB -1.165 17.834 19.000 -0.002 0.000 0.823 88 A HN 1.202 nan 8.150 nan 0.000 0.482 89 V N -1.377 118.535 119.914 -0.002 0.000 2.484 89 V HA 0.377 4.497 4.120 0.000 0.000 0.236 89 V C 2.469 178.562 176.094 -0.002 0.000 1.062 89 V CA 1.411 63.710 62.300 -0.002 0.000 1.081 89 V CB -1.289 30.533 31.823 -0.002 0.000 0.751 89 V HN 0.426 nan 8.190 nan 0.000 0.484 90 A N -0.157 122.661 122.820 -0.002 0.000 2.259 90 A HA 0.309 4.629 4.320 0.000 0.000 0.212 90 A C 2.043 179.626 177.584 -0.002 0.000 1.178 90 A CA 1.998 54.034 52.037 -0.002 0.000 0.734 90 A CB -1.056 17.943 19.000 -0.002 0.000 0.774 90 A HN 1.320 nan 8.150 nan 0.000 0.481 91 V N -1.202 118.711 119.914 -0.002 0.000 2.331 91 V HA 0.101 4.221 4.120 0.000 0.000 0.242 91 V C 2.310 178.402 176.094 -0.003 0.000 1.034 91 V CA 2.309 64.608 62.300 -0.002 0.000 1.027 91 V CB -1.197 30.625 31.823 -0.002 0.000 0.667 91 V HN 0.536 nan 8.190 nan 0.000 0.457 92 E N 0.557 120.755 120.200 -0.003 0.000 2.482 92 E HA 0.110 4.460 4.350 0.000 0.000 0.196 92 E C 2.139 178.736 176.600 -0.004 0.000 1.047 92 E CA 1.390 57.788 56.400 -0.004 0.000 0.869 92 E CB -0.759 28.939 29.700 -0.004 0.000 0.836 92 E HN 0.890 nan 8.360 nan 0.000 0.520 93 R N -0.728 119.770 120.500 -0.004 0.000 2.237 93 R HA 0.606 4.946 4.340 0.000 0.000 0.195 93 R C 2.564 178.862 176.300 -0.003 0.000 0.956 93 R CA 1.144 57.242 56.100 -0.003 0.000 1.029 93 R CB -1.165 29.133 30.300 -0.003 0.000 0.972 93 R HN 0.916 nan 8.270 nan 0.000 0.493 94 L N -0.564 120.657 121.223 -0.003 0.000 2.375 94 L HA 0.607 4.947 4.340 0.000 0.000 0.215 94 L C 2.726 179.594 176.870 -0.002 0.000 1.108 94 L CA 1.598 56.437 54.840 -0.002 0.000 0.830 94 L CB -1.090 40.968 42.059 -0.002 0.000 0.959 94 L HN 0.629 nan 8.230 nan 0.000 0.457 95 L N -1.353 119.868 121.223 -0.003 0.000 2.607 95 L HA 0.682 5.022 4.340 0.000 0.000 0.228 95 L C 1.967 178.834 176.870 -0.004 0.000 1.123 95 L CA 1.403 56.242 54.840 -0.003 0.000 0.890 95 L CB -1.355 40.702 42.059 -0.003 0.000 1.103 95 L HN 0.729 nan 8.230 nan 0.000 0.468 96 E N -1.961 118.236 120.200 -0.005 0.000 2.465 96 E HA 0.519 4.869 4.350 0.000 0.000 0.195 96 E C 1.120 177.717 176.600 -0.005 0.000 1.028 96 E CA 1.057 57.453 56.400 -0.006 0.000 0.899 96 E CB -0.758 28.939 29.700 -0.006 0.000 1.032 96 E HN 1.576 nan 8.360 nan 0.000 0.468 97 F N -1.733 118.214 119.950 -0.004 0.000 2.665 97 F HA 0.676 5.203 4.527 0.000 0.000 0.328 97 F C 0.780 176.579 175.800 -0.003 0.000 0.848 97 F CA 0.573 58.571 58.000 -0.004 0.000 1.071 97 F CB 0.468 39.466 39.000 -0.003 0.000 0.906 97 F HN 0.895 nan 8.300 nan 0.000 0.654 117 H N -2.560 116.547 119.070 0.062 0.000 2.797 117 H HA 0.748 5.304 4.556 -0.000 0.000 0.372 117 H C -0.887 174.504 175.328 0.106 0.000 1.168 117 H CA -1.277 54.843 56.048 0.120 0.000 1.163 117 H CB 2.162 32.031 29.762 0.178 0.000 1.778 117 H HN -0.119 nan 8.280 nan 0.000 0.551 118 V N 3.047 122.969 119.914 0.013 0.000 2.459 118 V HA 0.251 4.371 4.120 0.000 0.000 0.295 118 V C -0.266 175.761 176.094 -0.112 0.000 1.029 118 V CA -0.872 61.382 62.300 -0.077 0.000 0.874 118 V CB 1.432 33.266 31.823 0.019 0.000 0.985 118 V HN 0.602 nan 8.190 nan 0.000 0.438 119 V N 6.210 126.023 119.914 -0.168 0.000 2.435 119 V HA 0.484 4.604 4.120 0.000 0.000 0.290 119 V C -0.149 175.945 176.094 0.000 0.000 1.030 119 V CA -0.359 61.890 62.300 -0.085 0.000 0.881 119 V CB 1.768 33.496 31.823 -0.158 0.000 0.983 119 V HN 0.686 nan 8.190 nan 0.000 0.445 120 I N 4.545 125.154 120.570 0.064 0.000 2.354 120 I HA 0.308 4.478 4.170 0.000 0.000 0.286 120 I C -0.271 175.904 176.117 0.096 0.000 1.007 120 I CA -0.183 61.169 61.300 0.086 0.000 1.167 120 I CB 1.188 39.275 38.000 0.144 0.000 1.320 120 I HN 0.520 nan 8.210 nan 0.000 0.458 121 C N 5.728 125.065 119.300 0.061 0.000 2.394 121 C HA 0.690 5.150 4.460 0.000 0.000 0.362 121 C C 0.868 175.905 174.990 0.078 0.000 1.268 121 C CA -0.102 58.948 59.018 0.055 0.000 1.828 121 C CB -0.633 27.122 27.740 0.024 0.000 2.442 121 C HN 1.048 nan 8.230 nan 0.000 0.549 122 G N 4.002 112.871 108.800 0.116 0.000 2.785 122 G HA2 -0.105 3.855 3.960 0.000 0.000 0.686 122 G HA3 -0.105 3.855 3.960 0.000 0.000 0.686 122 G C -0.866 174.180 174.900 0.243 0.000 1.155 122 G CA -0.488 44.697 45.100 0.141 0.000 0.760 122 G HN 1.004 nan 8.290 nan 0.000 0.624 123 W N 4.757 126.078 121.300 0.035 0.000 2.391 123 W HA 0.640 5.300 4.660 -0.000 0.000 0.312 123 W C 0.155 176.683 176.519 0.015 0.000 1.003 123 W CA -0.193 57.172 57.345 0.034 0.000 1.375 123 W CB 1.430 30.920 29.460 0.051 0.000 1.253 123 W HN 1.320 nan 8.180 nan 0.000 0.416 124 S N 2.990 118.405 115.700 -0.475 0.000 2.704 124 S HA 0.339 4.809 4.470 0.000 0.000 0.296 124 S C 0.716 174.991 174.600 -0.542 0.000 1.138 124 S CA -0.550 57.396 58.200 -0.424 0.000 0.875 124 S CB 2.242 65.328 63.200 -0.190 0.000 1.151 124 S HN 0.445 nan 8.310 nan 0.000 0.500 125 E N 1.537 121.530 120.200 -0.345 0.000 2.070 125 E HA -0.122 4.228 4.350 0.000 0.000 0.197 125 E C 2.186 178.638 176.600 -0.245 0.000 1.004 125 E CA 1.970 58.201 56.400 -0.281 0.000 0.805 125 E CB -0.855 28.760 29.700 -0.142 0.000 0.744 125 E HN 0.678 nan 8.360 nan 0.000 0.451 126 S N 0.652 116.243 115.700 -0.183 0.000 2.365 126 S HA -0.203 4.267 4.470 0.000 0.000 0.221 126 S C 2.185 176.685 174.600 -0.168 0.000 1.037 126 S CA 1.996 60.113 58.200 -0.139 0.000 1.060 126 S CB -0.896 62.232 63.200 -0.119 0.000 0.974 126 S HN 0.294 nan 8.310 nan 0.000 0.427 127 T N 2.911 117.338 114.554 -0.213 0.000 2.624 127 T HA -0.146 4.204 4.350 0.000 0.000 0.268 127 T C 1.717 176.256 174.700 -0.268 0.000 1.041 127 T CA 1.569 63.548 62.100 -0.201 0.000 1.159 127 T CB -0.687 68.052 68.868 -0.215 0.000 0.863 127 T HN 0.250 nan 8.240 nan 0.000 0.434 128 L N 0.934 121.826 121.223 -0.551 0.000 1.971 128 L HA -0.185 4.155 4.340 0.000 0.000 0.215 128 L C 2.776 179.550 176.870 -0.160 0.000 1.072 128 L CA 1.740 56.302 54.840 -0.463 0.000 0.758 128 L CB -0.373 41.358 42.059 -0.547 0.000 0.889 128 L HN 0.190 nan 8.230 nan 0.000 0.433 129 E N -0.571 119.539 120.200 -0.149 0.000 2.171 129 E HA -0.294 4.056 4.350 0.000 0.000 0.197 129 E C 2.146 178.717 176.600 -0.048 0.000 0.997 129 E CA 1.494 57.847 56.400 -0.077 0.000 0.810 129 E CB -0.922 28.734 29.700 -0.073 0.000 0.738 129 E HN 0.671 nan 8.360 nan 0.000 0.467 130 C N 0.288 119.556 119.300 -0.055 0.000 2.476 130 C HA -0.030 4.430 4.460 0.000 0.000 0.278 130 C C 2.629 177.625 174.990 0.010 0.000 1.274 130 C CA 0.525 59.530 59.018 -0.022 0.000 1.713 130 C CB -1.099 26.628 27.740 -0.023 0.000 2.039 130 C HN 0.399 nan 8.230 nan 0.000 0.484 131 L N 1.473 122.717 121.223 0.034 0.000 2.349 131 L HA -0.039 4.301 4.340 0.000 0.000 0.220 131 L C 2.555 179.462 176.870 0.062 0.000 1.130 131 L CA 1.660 56.550 54.840 0.083 0.000 0.791 131 L CB -0.895 41.276 42.059 0.187 0.000 0.918 131 L HN 0.332 nan 8.230 nan 0.000 0.444 132 R N -0.988 119.534 120.500 0.036 0.000 2.148 132 R HA -0.052 4.288 4.340 0.000 0.000 0.223 132 R C 1.824 178.135 176.300 0.018 0.000 1.088 132 R CA 0.962 57.079 56.100 0.027 0.000 0.985 132 R CB 0.031 30.338 30.300 0.011 0.000 0.880 132 R HN 0.439 nan 8.270 nan 0.000 0.451 133 E N 0.663 120.871 120.200 0.014 0.000 2.075 133 E HA -0.030 4.320 4.350 0.000 0.000 0.190 133 E C 1.778 178.389 176.600 0.018 0.000 0.969 133 E CA 0.664 57.070 56.400 0.011 0.000 0.815 133 E CB -0.005 29.698 29.700 0.004 0.000 0.776 133 E HN 0.283 nan 8.360 nan 0.000 0.457 134 L N 1.353 122.591 121.223 0.024 0.000 2.749 134 L HA 0.048 4.388 4.340 0.000 0.000 0.245 134 L C 2.336 179.224 176.870 0.030 0.000 1.156 134 L CA 0.128 54.986 54.840 0.030 0.000 0.890 134 L CB -0.474 41.608 42.059 0.038 0.000 1.036 134 L HN 0.029 nan 8.230 nan 0.000 0.441 135 R N 1.393 121.909 120.500 0.027 0.000 2.119 135 R HA -0.153 4.187 4.340 0.000 0.000 0.246 135 R C 1.720 178.031 176.300 0.018 0.000 1.146 135 R CA 1.460 57.574 56.100 0.023 0.000 0.962 135 R CB -0.318 29.994 30.300 0.020 0.000 0.863 135 R HN 0.430 nan 8.270 nan 0.000 0.442 136 G N -0.126 108.686 108.800 0.020 0.000 3.392 136 G HA2 0.127 4.087 3.960 0.000 0.000 0.247 136 G HA3 0.127 4.087 3.960 0.000 0.000 0.247 136 G C -0.839 174.077 174.900 0.026 0.000 1.161 136 G CA 0.436 45.548 45.100 0.020 0.000 1.739 136 G HN 0.418 nan 8.290 nan 0.000 0.619 137 S N -1.864 113.854 115.700 0.029 0.000 2.643 137 S HA 0.292 4.762 4.470 0.000 0.000 0.266 137 S C -1.106 173.522 174.600 0.048 0.000 1.130 137 S CA -1.043 57.184 58.200 0.044 0.000 0.817 137 S CB 1.340 64.572 63.200 0.054 0.000 1.107 137 S HN 0.068 nan 8.310 nan 0.000 0.471 138 E N 0.886 121.139 120.200 0.087 0.000 2.159 138 E HA 0.405 4.755 4.350 0.000 0.000 0.272 138 E C -0.937 175.757 176.600 0.156 0.000 1.138 138 E CA 0.071 56.545 56.400 0.124 0.000 0.915 138 E CB 0.939 30.792 29.700 0.255 0.000 1.028 138 E HN 0.434 nan 8.360 nan 0.000 0.423 139 V N 4.817 124.744 119.914 0.020 0.000 2.656 139 V HA 0.416 4.536 4.120 0.000 0.000 0.307 139 V C -0.700 175.345 176.094 -0.081 0.000 1.051 139 V CA -0.760 61.576 62.300 0.060 0.000 0.893 139 V CB 1.361 33.210 31.823 0.044 0.000 0.999 139 V HN 0.411 nan 8.190 nan 0.000 0.426 140 F N 2.846 122.794 119.950 -0.004 0.000 2.493 140 F HA 0.620 5.147 4.527 0.000 0.000 0.329 140 F C -0.037 175.771 175.800 0.015 0.000 1.126 140 F CA -0.828 57.176 58.000 0.007 0.000 0.937 140 F CB 2.060 41.050 39.000 -0.015 0.000 1.146 140 F HN 0.148 nan 8.300 nan 0.000 0.442 141 V N 5.241 125.266 119.914 0.185 0.000 2.370 141 V HA 0.338 4.458 4.120 0.000 0.000 0.279 141 V C -0.321 175.829 176.094 0.093 0.000 1.029 141 V CA -0.727 61.692 62.300 0.198 0.000 0.870 141 V CB 1.676 33.653 31.823 0.257 0.000 0.984 141 V HN 0.635 nan 8.190 nan 0.000 0.451 142 L N 5.699 126.951 121.223 0.048 0.000 2.280 142 L HA 0.870 5.210 4.340 0.000 0.000 0.287 142 L C -0.001 176.856 176.870 -0.021 0.000 1.023 142 L CA -0.027 54.758 54.840 -0.092 0.000 0.819 142 L CB 0.933 42.959 42.059 -0.055 0.000 1.212 142 L HN 0.779 nan 8.230 nan 0.000 0.420 143 A N 3.796 126.566 122.820 -0.083 0.000 2.556 143 A HA 0.438 4.758 4.320 0.000 0.000 0.294 143 A C 0.216 177.746 177.584 -0.091 0.000 1.091 143 A CA -0.575 51.501 52.037 0.064 0.000 0.704 143 A CB 1.608 20.794 19.000 0.309 0.000 1.300 143 A HN 0.799 nan 8.150 nan 0.000 0.406 144 E N 0.143 120.304 120.200 -0.065 0.000 2.051 144 E HA -0.105 4.245 4.350 0.000 0.000 0.189 144 E C -0.176 176.298 176.600 -0.211 0.000 0.979 144 E CA 0.573 56.880 56.400 -0.156 0.000 0.803 144 E CB 0.125 29.799 29.700 -0.043 0.000 0.761 144 E HN 0.708 nan 8.360 nan 0.000 0.451 145 D N 1.005 121.378 120.400 -0.045 0.000 2.358 145 D HA -0.066 4.574 4.640 0.000 0.000 0.258 145 D C 0.800 177.103 176.300 0.005 0.000 1.223 145 D CA 0.166 54.165 54.000 -0.002 0.000 0.886 145 D CB 1.453 42.271 40.800 0.030 0.000 1.120 145 D HN -0.023 nan 8.370 nan 0.000 0.482 146 E N 4.042 124.306 120.200 0.108 0.000 2.077 146 E HA -0.228 4.122 4.350 0.000 0.000 0.193 146 E C 1.187 177.760 176.600 -0.046 0.000 0.989 146 E CA 1.381 57.914 56.400 0.222 0.000 0.800 146 E CB -0.043 29.864 29.700 0.344 0.000 0.746 146 E HN 0.463 nan 8.360 nan 0.000 0.452 147 N N 0.182 118.859 118.700 -0.039 0.000 2.314 147 N HA -0.185 4.555 4.740 0.000 0.000 0.191 147 N C 1.733 177.119 175.510 -0.206 0.000 1.007 147 N CA 1.440 54.437 53.050 -0.088 0.000 0.883 147 N CB -0.271 38.195 38.487 -0.035 0.000 0.969 147 N HN 0.142 nan 8.380 nan 0.000 0.441 148 V N 1.397 121.116 119.914 -0.326 0.000 2.237 148 V HA -0.263 3.857 4.120 0.000 0.000 0.245 148 V C 2.460 178.043 176.094 -0.853 0.000 1.046 148 V CA 1.696 63.653 62.300 -0.571 0.000 1.007 148 V CB -0.577 30.832 31.823 -0.690 0.000 0.638 148 V HN 0.326 nan 8.190 nan 0.000 0.445 149 R N 0.757 120.477 120.500 -1.299 0.000 2.313 149 R HA -0.410 3.930 4.340 0.000 0.000 0.218 149 R C 2.236 178.180 176.300 -0.593 0.000 1.104 149 R CA 3.134 58.522 56.100 -1.186 0.000 0.793 149 R CB -0.722 29.221 30.300 -0.595 0.000 0.964 149 R HN 0.491 nan 8.270 nan 0.000 0.377 150 K N -0.135 120.051 120.400 -0.357 0.000 2.148 150 K HA -0.300 4.020 4.320 0.000 0.000 0.213 150 K C 2.341 178.809 176.600 -0.220 0.000 1.050 150 K CA 2.454 58.610 56.287 -0.219 0.000 0.932 150 K CB -0.288 32.124 32.500 -0.147 0.000 0.717 150 K HN 0.378 nan 8.250 nan 0.000 0.462 151 K N 0.791 121.024 120.400 -0.278 0.000 2.076 151 K HA -0.040 4.280 4.320 0.000 0.000 0.204 151 K C 1.889 178.314 176.600 -0.292 0.000 1.051 151 K CA 0.630 56.797 56.287 -0.201 0.000 0.949 151 K CB 0.218 32.662 32.500 -0.094 0.000 0.726 151 K HN -0.081 nan 8.250 nan 0.000 0.443 152 V N 1.838 121.373 119.914 -0.631 0.000 2.828 152 V HA -0.225 3.895 4.120 0.000 0.000 0.260 152 V C 1.991 177.916 176.094 -0.281 0.000 1.101 152 V CA 1.371 63.264 62.300 -0.679 0.000 1.123 152 V CB -0.345 30.971 31.823 -0.847 0.000 0.704 152 V HN 0.334 nan 8.190 nan 0.000 0.493 153 L N -1.149 119.937 121.223 -0.228 0.000 2.202 153 L HA 0.034 4.374 4.340 0.000 0.000 0.205 153 L C 2.642 179.464 176.870 -0.080 0.000 1.083 153 L CA 0.796 55.560 54.840 -0.126 0.000 0.790 153 L CB -0.418 41.575 42.059 -0.111 0.000 0.942 153 L HN 0.138 nan 8.230 nan 0.000 0.452 154 R N -0.320 120.134 120.500 -0.076 0.000 2.159 154 R HA -0.042 4.298 4.340 0.000 0.000 0.237 154 R C 0.482 176.779 176.300 -0.006 0.000 1.131 154 R CA 0.516 56.596 56.100 -0.033 0.000 0.982 154 R CB -0.140 30.147 30.300 -0.021 0.000 0.868 154 R HN 0.215 nan 8.270 nan 0.000 0.453 155 S N -0.617 115.085 115.700 0.003 0.000 2.541 155 S HA 0.262 4.732 4.470 0.000 0.000 0.283 155 S C 0.511 175.116 174.600 0.009 0.000 1.196 155 S CA -0.716 57.510 58.200 0.044 0.000 1.062 155 S CB 1.890 65.172 63.200 0.136 0.000 1.009 155 S HN 0.362 nan 8.310 nan 0.000 0.502 156 G N 1.458 110.265 108.800 0.011 0.000 3.022 156 G HA2 0.374 4.334 3.960 0.000 0.000 0.246 156 G HA3 0.374 4.334 3.960 0.000 0.000 0.246 156 G C 0.136 175.016 174.900 -0.034 0.000 0.859 156 G CA 0.229 45.321 45.100 -0.012 0.000 1.941 156 G HN 0.857 nan 8.290 nan 0.000 0.589 157 A N 0.603 123.390 122.820 -0.054 0.000 2.479 157 A HA 0.741 5.061 4.320 0.000 0.000 0.296 157 A C -0.316 177.175 177.584 -0.155 0.000 1.121 157 A CA -0.964 51.014 52.037 -0.098 0.000 0.743 157 A CB 1.384 20.372 19.000 -0.021 0.000 1.323 157 A HN 0.255 nan 8.150 nan 0.000 0.415 158 N N 0.293 118.816 118.700 -0.294 0.000 2.473 158 N HA 0.469 5.209 4.740 0.000 0.000 0.291 158 N C -1.620 173.857 175.510 -0.054 0.000 1.083 158 N CA 0.038 52.916 53.050 -0.287 0.000 0.951 158 N CB 1.552 39.604 38.487 -0.725 0.000 1.164 158 N HN 0.528 nan 8.380 nan 0.000 0.480 159 F N 1.857 121.736 119.950 -0.118 0.000 2.420 159 F HA 0.391 4.918 4.527 0.000 0.000 0.342 159 F C -0.499 175.328 175.800 0.045 0.000 1.113 159 F CA -0.817 57.146 58.000 -0.063 0.000 1.059 159 F CB 0.927 39.856 39.000 -0.119 0.000 1.128 159 F HN 0.073 nan 8.300 nan 0.000 0.475 160 V N 6.503 126.007 119.914 -0.683 0.000 2.325 160 V HA 0.130 4.250 4.120 0.000 0.000 0.280 160 V C -0.362 175.209 176.094 -0.872 0.000 1.016 160 V CA -0.769 61.232 62.300 -0.498 0.000 0.818 160 V CB 0.652 32.384 31.823 -0.153 0.000 1.019 160 V HN 0.665 nan 8.190 nan 0.000 0.434 161 H N 4.083 122.643 119.070 -0.850 0.000 3.017 161 H HA 0.581 5.137 4.556 -0.000 0.000 0.276 161 H C 0.218 175.404 175.328 -0.236 0.000 1.062 161 H CA 1.124 56.853 56.048 -0.531 0.000 1.486 161 H CB 0.812 30.507 29.762 -0.113 0.000 1.507 161 H HN 0.804 nan 8.280 nan 0.000 0.508 162 G N 3.515 112.229 108.800 -0.144 0.000 2.488 162 G HA2 0.150 4.110 3.960 0.000 0.000 0.301 162 G HA3 0.150 4.110 3.960 0.000 0.000 0.301 162 G C -1.650 173.203 174.900 -0.078 0.000 1.339 162 G CA -0.788 44.311 45.100 -0.002 0.000 0.803 162 G HN 0.548 nan 8.290 nan 0.000 0.482 163 D N 0.115 120.492 120.400 -0.038 0.000 2.414 163 D HA 0.496 5.136 4.640 0.000 0.000 0.232 163 D C -1.055 175.210 176.300 -0.057 0.000 1.070 163 D CA -2.235 51.736 54.000 -0.050 0.000 0.839 163 D CB 2.211 42.985 40.800 -0.043 0.000 1.079 163 D HN 0.078 nan 8.370 nan 0.000 0.521 164 P HA -0.103 nan 4.420 nan 0.000 0.234 164 P C 0.585 177.846 177.300 -0.066 0.000 1.162 164 P CA 0.729 63.803 63.100 -0.044 0.000 0.759 164 P CB 0.285 31.973 31.700 -0.020 0.000 0.813 165 T N -1.517 112.964 114.554 -0.121 0.000 3.051 165 T HA 0.057 4.407 4.350 0.000 0.000 0.255 165 T C 1.061 175.646 174.700 -0.192 0.000 1.085 165 T CA 0.070 62.020 62.100 -0.249 0.000 1.109 165 T CB 0.055 68.654 68.868 -0.448 0.000 0.921 165 T HN 0.105 nan 8.240 nan 0.000 0.488 166 R N 1.662 122.097 120.500 -0.107 0.000 2.234 166 R HA 0.309 4.649 4.340 0.000 0.000 0.324 166 R C 1.000 177.285 176.300 -0.025 0.000 1.054 166 R CA -0.212 55.855 56.100 -0.053 0.000 0.912 166 R CB 0.651 30.928 30.300 -0.038 0.000 1.030 166 R HN -0.014 nan 8.270 nan 0.000 0.455 167 V N 2.847 122.759 119.914 -0.003 0.000 2.392 167 V HA -0.319 3.801 4.120 0.000 0.000 0.249 167 V C 2.269 178.359 176.094 -0.007 0.000 1.059 167 V CA 2.348 64.650 62.300 0.003 0.000 1.051 167 V CB -0.521 31.310 31.823 0.014 0.000 0.658 167 V HN 0.959 nan 8.190 nan 0.000 0.455 168 S N 0.104 115.800 115.700 -0.007 0.000 2.387 168 S HA -0.281 4.189 4.470 0.000 0.000 0.230 168 S C 1.632 176.222 174.600 -0.016 0.000 1.035 168 S CA 1.872 60.066 58.200 -0.010 0.000 1.014 168 S CB -0.525 62.671 63.200 -0.007 0.000 0.836 168 S HN 0.641 nan 8.310 nan 0.000 0.466 169 D N 1.240 121.629 120.400 -0.019 0.000 2.249 169 D HA 0.159 4.799 4.640 0.000 0.000 0.205 169 D C 2.003 178.282 176.300 -0.035 0.000 0.962 169 D CA 0.445 54.430 54.000 -0.026 0.000 0.860 169 D CB -0.243 40.542 40.800 -0.025 0.000 0.955 169 D HN 0.361 nan 8.370 nan 0.000 0.505 170 L N 1.063 122.269 121.223 -0.029 0.000 2.046 170 L HA -0.162 4.178 4.340 0.000 0.000 0.208 170 L C 2.249 179.099 176.870 -0.033 0.000 1.077 170 L CA 1.220 56.043 54.840 -0.029 0.000 0.747 170 L CB -0.258 41.790 42.059 -0.017 0.000 0.896 170 L HN 0.015 nan 8.230 nan 0.000 0.432 171 E N -0.116 120.067 120.200 -0.028 0.000 2.204 171 E HA -0.225 4.125 4.350 0.000 0.000 0.195 171 E C 1.995 178.569 176.600 -0.043 0.000 0.990 171 E CA 0.741 57.123 56.400 -0.031 0.000 0.821 171 E CB 0.002 29.688 29.700 -0.023 0.000 0.750 171 E HN 0.425 nan 8.360 nan 0.000 0.477 172 K N 0.208 120.583 120.400 -0.042 0.000 2.360 172 K HA -0.071 4.249 4.320 0.000 0.000 0.201 172 K C 1.594 178.153 176.600 -0.068 0.000 1.046 172 K CA 0.901 57.160 56.287 -0.047 0.000 0.945 172 K CB 0.114 32.589 32.500 -0.041 0.000 0.750 172 K HN 0.019 nan 8.250 nan 0.000 0.464 173 A N 0.933 123.706 122.820 -0.078 0.000 2.390 173 A HA 0.023 4.343 4.320 0.000 0.000 0.232 173 A C 0.204 177.711 177.584 -0.129 0.000 1.233 173 A CA -0.329 51.634 52.037 -0.123 0.000 0.907 173 A CB 0.036 18.987 19.000 -0.082 0.000 0.967 173 A HN 0.387 nan 8.150 nan 0.000 0.512 174 N N 0.124 118.777 118.700 -0.079 0.000 2.614 174 N HA -0.143 4.597 4.740 0.000 0.000 0.276 174 N C 0.611 176.148 175.510 0.044 0.000 1.119 174 N CA 0.678 53.707 53.050 -0.035 0.000 0.742 174 N CB -1.029 37.402 38.487 -0.094 0.000 0.900 174 N HN 0.149 nan 8.380 nan 0.000 0.549 175 V N 2.620 122.535 119.914 0.001 0.000 2.515 175 V HA -0.188 3.932 4.120 0.000 0.000 0.250 175 V C 2.430 178.543 176.094 0.031 0.000 1.058 175 V CA 2.053 64.355 62.300 0.003 0.000 1.064 175 V CB -0.253 31.562 31.823 -0.012 0.000 0.675 175 V HN 0.529 nan 8.190 nan 0.000 0.461 176 R N 0.598 121.109 120.500 0.018 0.000 2.119 176 R HA -0.181 4.159 4.340 0.000 0.000 0.246 176 R C 2.184 178.500 176.300 0.026 0.000 1.146 176 R CA 1.764 57.871 56.100 0.012 0.000 0.962 176 R CB -0.683 29.614 30.300 -0.005 0.000 0.863 176 R HN 0.575 nan 8.270 nan 0.000 0.442 177 G N -0.175 108.653 108.800 0.047 0.000 3.088 177 G HA2 0.259 4.219 3.960 0.000 0.000 0.217 177 G HA3 0.259 4.219 3.960 0.000 0.000 0.217 177 G C 0.107 175.121 174.900 0.189 0.000 1.159 177 G CA 0.098 45.228 45.100 0.050 0.000 0.760 177 G HN 0.368 nan 8.290 nan 0.000 0.550 178 A N 0.718 123.672 122.820 0.223 0.000 2.524 178 A HA 0.325 4.645 4.320 0.000 0.000 0.250 178 A C 1.596 179.232 177.584 0.087 0.000 1.078 178 A CA -0.032 52.075 52.037 0.116 0.000 0.761 178 A CB 0.174 19.131 19.000 -0.070 0.000 1.012 178 A HN 0.393 nan 8.150 nan 0.000 0.500 179 R N 1.746 122.308 120.500 0.102 0.000 2.127 179 R HA 0.039 4.379 4.340 0.000 0.000 0.238 179 R C 0.459 176.779 176.300 0.033 0.000 1.134 179 R CA 1.655 57.797 56.100 0.069 0.000 0.975 179 R CB -0.109 30.236 30.300 0.075 0.000 0.865 179 R HN 1.148 nan 8.270 nan 0.000 0.447 180 A N -0.987 121.840 122.820 0.011 0.000 2.590 180 A HA 0.450 4.770 4.320 0.000 0.000 0.294 180 A C -1.585 175.989 177.584 -0.018 0.000 1.046 180 A CA -0.787 51.252 52.037 0.002 0.000 0.684 180 A CB 1.539 20.544 19.000 0.009 0.000 1.279 180 A HN -0.023 nan 8.150 nan 0.000 0.415 181 V N 1.951 121.857 119.914 -0.013 0.000 2.459 181 V HA 0.537 4.657 4.120 0.000 0.000 0.295 181 V C -0.234 175.858 176.094 -0.004 0.000 1.029 181 V CA -0.318 61.971 62.300 -0.017 0.000 0.874 181 V CB 1.481 33.294 31.823 -0.016 0.000 0.985 181 V HN 0.681 nan 8.190 nan 0.000 0.438 182 I N 4.498 125.070 120.570 0.002 0.000 2.354 182 I HA 0.498 4.668 4.170 0.000 0.000 0.292 182 I C -0.697 175.426 176.117 0.009 0.000 0.989 182 I CA -0.630 60.673 61.300 0.005 0.000 1.188 182 I CB 1.860 39.867 38.000 0.011 0.000 1.342 182 I HN 0.291 nan 8.210 nan 0.000 0.457 183 V N 5.087 125.001 119.914 0.001 0.000 2.444 183 V HA 0.416 4.536 4.120 0.000 0.000 0.294 183 V C -0.977 175.111 176.094 -0.010 0.000 1.022 183 V CA -0.369 61.933 62.300 0.003 0.000 0.850 183 V CB 1.941 33.766 31.823 0.004 0.000 0.992 183 V HN 0.694 nan 8.190 nan 0.000 0.426 184 D N 4.522 124.919 120.400 -0.005 0.000 2.319 184 D HA 0.435 5.075 4.640 0.000 0.000 0.237 184 D C -0.869 175.427 176.300 -0.006 0.000 1.353 184 D CA -0.187 53.799 54.000 -0.024 0.000 0.992 184 D CB 0.791 41.561 40.800 -0.051 0.000 1.368 184 D HN 0.346 nan 8.370 nan 0.000 0.564 185 L N 1.854 123.076 121.223 -0.002 0.000 2.376 185 L HA 0.490 4.830 4.340 0.000 0.000 0.267 185 L C 1.782 178.656 176.870 0.005 0.000 1.035 185 L CA -0.933 53.914 54.840 0.011 0.000 0.800 185 L CB 1.013 43.080 42.059 0.013 0.000 1.290 185 L HN 0.314 nan 8.230 nan 0.000 0.462 186 E N 0.292 120.502 120.200 0.016 0.000 2.209 186 E HA -0.116 4.234 4.350 0.000 0.000 0.196 186 E C 0.123 176.735 176.600 0.019 0.000 0.993 186 E CA 1.162 57.574 56.400 0.019 0.000 0.819 186 E CB 0.107 29.824 29.700 0.027 0.000 0.745 186 E HN 0.595 nan 8.360 nan 0.000 0.477 187 S N -0.107 115.604 115.700 0.018 0.000 2.547 187 S HA 0.196 4.666 4.470 0.000 0.000 0.281 187 S C 0.067 174.676 174.600 0.015 0.000 1.118 187 S CA -0.965 57.247 58.200 0.020 0.000 0.947 187 S CB 2.068 65.284 63.200 0.027 0.000 1.053 187 S HN -0.198 nan 8.310 nan 0.000 0.482 188 D N 2.507 122.911 120.400 0.007 0.000 2.191 188 D HA -0.129 4.511 4.640 0.000 0.000 0.195 188 D C 1.800 178.109 176.300 0.015 0.000 1.003 188 D CA 1.807 55.807 54.000 0.001 0.000 0.867 188 D CB -0.346 40.450 40.800 -0.007 0.000 0.926 188 D HN 0.588 nan 8.370 nan 0.000 0.450 189 S N 0.732 116.446 115.700 0.024 0.000 2.351 189 S HA -0.188 4.282 4.470 0.000 0.000 0.220 189 S C 1.839 176.483 174.600 0.072 0.000 1.035 189 S CA 1.108 59.331 58.200 0.039 0.000 1.031 189 S CB -0.279 62.945 63.200 0.040 0.000 0.928 189 S HN 0.419 nan 8.310 nan 0.000 0.433 190 E N 0.467 120.706 120.200 0.065 0.000 2.118 190 E HA -0.127 4.223 4.350 0.000 0.000 0.195 190 E C 2.184 178.829 176.600 0.075 0.000 0.992 190 E CA 1.477 57.920 56.400 0.073 0.000 0.804 190 E CB -0.406 29.310 29.700 0.027 0.000 0.741 190 E HN 0.440 nan 8.360 nan 0.000 0.458 191 T N 1.779 116.360 114.554 0.045 0.000 2.674 191 T HA -0.126 4.224 4.350 0.000 0.000 0.265 191 T C 1.900 176.630 174.700 0.051 0.000 1.039 191 T CA 0.818 62.939 62.100 0.034 0.000 1.150 191 T CB -0.107 68.766 68.868 0.008 0.000 0.864 191 T HN 0.062 nan 8.240 nan 0.000 0.427 192 I N 1.221 121.817 120.570 0.044 0.000 2.248 192 I HA -0.214 3.956 4.170 0.000 0.000 0.248 192 I C 2.297 178.450 176.117 0.060 0.000 1.107 192 I CA 1.551 62.868 61.300 0.030 0.000 1.373 192 I CB -1.374 36.630 38.000 0.007 0.000 1.055 192 I HN 0.358 nan 8.210 nan 0.000 0.418 193 H N 0.699 119.765 119.070 -0.007 0.000 2.253 193 H HA -0.209 4.347 4.556 0.000 0.000 0.299 193 H C 2.576 177.902 175.328 -0.004 0.000 1.064 193 H CA 2.250 58.295 56.048 -0.004 0.000 1.264 193 H CB -0.630 29.131 29.762 -0.001 0.000 1.371 193 H HN 0.392 nan 8.280 nan 0.000 0.493 194 C N 0.952 120.366 119.300 0.189 0.000 2.382 194 C HA -0.213 4.247 4.460 0.000 0.000 0.274 194 C C 3.090 178.124 174.990 0.072 0.000 1.180 194 C CA 1.409 60.478 59.018 0.084 0.000 1.799 194 C CB -1.537 26.222 27.740 0.032 0.000 2.094 194 C HN 0.555 nan 8.230 nan 0.000 0.468 195 I N 0.198 120.803 120.570 0.059 0.000 2.076 195 I HA -0.231 3.939 4.170 0.000 0.000 0.237 195 I C 2.591 178.729 176.117 0.034 0.000 1.059 195 I CA 1.954 63.274 61.300 0.033 0.000 1.317 195 I CB -0.641 37.371 38.000 0.019 0.000 1.037 195 I HN 0.373 nan 8.210 nan 0.000 0.398 196 L N 0.574 121.817 121.223 0.033 0.000 2.034 196 L HA -0.252 4.088 4.340 0.000 0.000 0.217 196 L C 2.683 179.575 176.870 0.037 0.000 1.077 196 L CA 1.853 56.703 54.840 0.017 0.000 0.769 196 L CB -1.467 40.581 42.059 -0.018 0.000 0.890 196 L HN 0.416 nan 8.230 nan 0.000 0.435 197 G N 0.348 109.197 108.800 0.081 0.000 2.514 197 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 197 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 197 G C 1.530 176.452 174.900 0.037 0.000 1.198 197 G CA 1.084 46.229 45.100 0.074 0.000 0.780 197 G HN 0.302 nan 8.290 nan 0.000 0.565 198 I N 0.066 120.653 120.570 0.029 0.000 2.091 198 I HA -0.236 3.934 4.170 0.000 0.000 0.239 198 I C 3.073 179.197 176.117 0.012 0.000 1.061 198 I CA 1.229 62.538 61.300 0.015 0.000 1.317 198 I CB -0.319 37.688 38.000 0.010 0.000 1.031 198 I HN 0.050 nan 8.210 nan 0.000 0.401 199 R N 1.065 121.572 120.500 0.012 0.000 2.133 199 R HA -0.261 4.079 4.340 0.000 0.000 0.245 199 R C 2.114 178.417 176.300 0.007 0.000 1.137 199 R CA 1.565 57.669 56.100 0.007 0.000 0.947 199 R CB -0.988 29.315 30.300 0.004 0.000 0.865 199 R HN 0.388 nan 8.270 nan 0.000 0.437 200 K N 0.374 120.780 120.400 0.010 0.000 2.520 200 K HA -0.139 4.181 4.320 0.000 0.000 0.198 200 K C 1.634 178.238 176.600 0.007 0.000 1.045 200 K CA 1.073 57.365 56.287 0.009 0.000 0.934 200 K CB 0.055 32.565 32.500 0.015 0.000 0.766 200 K HN 0.215 nan 8.250 nan 0.000 0.483 201 I N -1.416 119.158 120.570 0.006 0.000 4.049 201 I HA 0.010 4.180 4.170 0.000 0.000 0.237 201 I C 0.486 176.604 176.117 0.002 0.000 1.076 201 I CA -0.356 60.945 61.300 0.003 0.000 1.610 201 I CB 0.144 38.145 38.000 0.001 0.000 1.544 201 I HN -0.043 nan 8.210 nan 0.000 0.458 202 D N 2.316 122.718 120.400 0.003 0.000 2.454 202 D HA 0.075 4.715 4.640 0.000 0.000 0.225 202 D C 0.161 176.463 176.300 0.004 0.000 1.081 202 D CA -0.152 53.850 54.000 0.004 0.000 0.864 202 D CB 1.080 41.884 40.800 0.007 0.000 1.040 202 D HN 0.415 nan 8.370 nan 0.000 0.517 203 E N 1.265 121.467 120.200 0.003 0.000 2.382 203 E HA 0.063 4.413 4.350 0.000 0.000 0.190 203 E C 0.293 176.895 176.600 0.004 0.000 1.125 203 E CA -0.032 56.370 56.400 0.003 0.000 0.929 203 E CB 0.287 29.988 29.700 0.002 0.000 1.053 203 E HN 0.018 nan 8.360 nan 0.000 0.475 204 S N -0.093 115.610 115.700 0.005 0.000 2.817 204 S HA 0.132 4.602 4.470 0.000 0.000 0.262 204 S C 0.171 174.776 174.600 0.008 0.000 1.051 204 S CA -0.464 57.740 58.200 0.006 0.000 1.185 204 S CB 1.017 64.221 63.200 0.006 0.000 1.152 204 S HN 0.109 nan 8.310 nan 0.000 0.653 205 V N 3.129 123.048 119.914 0.008 0.000 2.740 205 V HA 0.166 4.286 4.120 0.000 0.000 0.303 205 V C 0.736 176.835 176.094 0.008 0.000 1.054 205 V CA -0.060 62.246 62.300 0.010 0.000 1.106 205 V CB 0.353 32.182 31.823 0.009 0.000 0.957 205 V HN 0.345 nan 8.190 nan 0.000 0.486 206 R N 4.747 125.253 120.500 0.009 0.000 2.351 206 R HA 0.331 4.671 4.340 0.000 0.000 0.318 206 R C -0.722 175.581 176.300 0.004 0.000 1.055 206 R CA -0.074 56.031 56.100 0.008 0.000 0.968 206 R CB 0.086 30.392 30.300 0.010 0.000 0.974 206 R HN 0.680 nan 8.270 nan 0.000 0.439 207 I N 6.722 127.294 120.570 0.003 0.000 2.377 207 I HA 0.297 4.467 4.170 0.000 0.000 0.293 207 I C -0.173 175.944 176.117 -0.001 0.000 0.987 207 I CA -0.778 60.522 61.300 0.001 0.000 1.185 207 I CB 1.624 39.625 38.000 0.001 0.000 1.341 207 I HN 0.574 nan 8.210 nan 0.000 0.455 208 I N 5.988 126.556 120.570 -0.003 0.000 2.418 208 I HA 0.614 4.784 4.170 0.000 0.000 0.287 208 I C -0.194 175.917 176.117 -0.010 0.000 1.008 208 I CA -0.438 60.859 61.300 -0.006 0.000 1.104 208 I CB 1.857 39.853 38.000 -0.005 0.000 1.264 208 I HN 0.559 nan 8.210 nan 0.000 0.438 209 A N 5.110 127.921 122.820 -0.015 0.000 2.413 209 A HA 0.667 4.987 4.320 0.000 0.000 0.307 209 A C -0.810 176.752 177.584 -0.037 0.000 1.087 209 A CA -0.588 51.435 52.037 -0.022 0.000 0.750 209 A CB 1.806 20.795 19.000 -0.017 0.000 1.296 209 A HN 0.764 nan 8.150 nan 0.000 0.423 210 E N 1.123 121.291 120.200 -0.054 0.000 2.231 210 E HA 0.633 4.983 4.350 0.000 0.000 0.277 210 E C -0.414 176.130 176.600 -0.094 0.000 0.999 210 E CA -0.660 55.688 56.400 -0.087 0.000 0.827 210 E CB 1.442 31.073 29.700 -0.115 0.000 1.101 210 E HN 0.834 nan 8.360 nan 0.000 0.393 211 A N 4.106 126.860 122.820 -0.110 0.000 2.288 211 A HA 0.253 4.573 4.320 0.000 0.000 0.320 211 A C 0.399 177.880 177.584 -0.171 0.000 1.217 211 A CA -0.631 51.349 52.037 -0.096 0.000 0.840 211 A CB 1.098 20.070 19.000 -0.047 0.000 1.179 211 A HN 0.825 nan 8.150 nan 0.000 0.504 212 E N 1.465 121.579 120.200 -0.145 0.000 2.158 212 E HA -0.019 4.331 4.350 0.000 0.000 0.191 212 E C 0.151 176.722 176.600 -0.049 0.000 0.982 212 E CA 0.902 57.185 56.400 -0.195 0.000 0.823 212 E CB 0.214 29.873 29.700 -0.068 0.000 0.766 212 E HN 0.639 nan 8.360 nan 0.000 0.468 213 R N -0.115 120.393 120.500 0.013 0.000 2.621 213 R HA 0.162 4.502 4.340 0.000 0.000 0.292 213 R C 0.379 176.741 176.300 0.102 0.000 0.969 213 R CA -0.502 55.652 56.100 0.090 0.000 0.887 213 R CB 1.144 31.491 30.300 0.077 0.000 1.180 213 R HN -0.060 nan 8.270 nan 0.000 0.450 214 Y N 2.771 123.087 120.300 0.027 0.000 2.151 214 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 214 Y C 1.057 176.962 175.900 0.008 0.000 1.166 214 Y CA 2.108 60.218 58.100 0.015 0.000 1.163 214 Y CB 0.177 38.653 38.460 0.027 0.000 0.974 214 Y HN 0.652 nan 8.280 nan 0.000 0.511 215 E N -0.536 119.576 120.200 -0.147 0.000 2.463 215 E HA -0.155 4.195 4.350 0.000 0.000 0.201 215 E C 0.812 177.305 176.600 -0.177 0.000 1.045 215 E CA 0.833 57.098 56.400 -0.225 0.000 0.872 215 E CB -0.166 29.487 29.700 -0.079 0.000 0.797 215 E HN 0.539 nan 8.360 nan 0.000 0.538 216 N N 0.093 118.716 118.700 -0.128 0.000 2.171 216 N HA 0.158 4.898 4.740 0.000 0.000 0.212 216 N C 1.323 176.781 175.510 -0.088 0.000 1.184 216 N CA 0.008 53.005 53.050 -0.089 0.000 0.888 216 N CB 0.509 38.969 38.487 -0.046 0.000 1.038 216 N HN 0.175 nan 8.380 nan 0.000 0.517 217 I N 1.086 121.587 120.570 -0.116 0.000 2.264 217 I HA -0.257 3.913 4.170 0.000 0.000 0.248 217 I C 2.340 178.418 176.117 -0.064 0.000 1.111 217 I CA 1.412 62.670 61.300 -0.069 0.000 1.382 217 I CB -0.008 37.966 38.000 -0.044 0.000 1.060 217 I HN 0.186 nan 8.210 nan 0.000 0.418 218 E N 0.656 120.800 120.200 -0.092 0.000 2.046 218 E HA -0.239 4.111 4.350 0.000 0.000 0.190 218 E C 2.229 178.798 176.600 -0.051 0.000 0.982 218 E CA 1.010 57.370 56.400 -0.067 0.000 0.800 218 E CB 0.115 29.768 29.700 -0.079 0.000 0.756 218 E HN 0.425 nan 8.360 nan 0.000 0.449 219 Q N 0.512 120.278 119.800 -0.056 0.000 2.135 219 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 219 Q C 2.160 178.140 176.000 -0.034 0.000 0.981 219 Q CA 1.034 56.812 55.803 -0.043 0.000 0.856 219 Q CB -0.133 28.580 28.738 -0.043 0.000 0.902 219 Q HN 0.296 nan 8.270 nan 0.000 0.425 220 L N -0.107 121.096 121.223 -0.034 0.000 2.131 220 L HA -0.200 4.140 4.340 0.000 0.000 0.210 220 L C 2.337 179.195 176.870 -0.020 0.000 1.092 220 L CA 1.189 56.014 54.840 -0.025 0.000 0.759 220 L CB -0.058 41.985 42.059 -0.026 0.000 0.903 220 L HN 0.203 nan 8.230 nan 0.000 0.435 221 R N -0.953 119.533 120.500 -0.022 0.000 2.066 221 R HA -0.037 4.303 4.340 0.000 0.000 0.224 221 R C 2.285 178.575 176.300 -0.016 0.000 1.122 221 R CA 1.115 57.205 56.100 -0.016 0.000 0.974 221 R CB -0.266 30.025 30.300 -0.015 0.000 0.871 221 R HN 0.316 nan 8.270 nan 0.000 0.435 222 M N 0.557 120.144 119.600 -0.020 0.000 2.089 222 M HA -0.207 4.273 4.480 0.000 0.000 0.257 222 M C 2.514 178.803 176.300 -0.018 0.000 1.071 222 M CA 2.071 57.359 55.300 -0.020 0.000 1.096 222 M CB -0.639 31.947 32.600 -0.024 0.000 1.330 222 M HN 0.191 nan 8.290 nan 0.000 0.403 223 A N -0.383 122.425 122.820 -0.019 0.000 2.076 223 A HA 0.045 4.365 4.320 0.000 0.000 0.220 223 A C 1.879 179.457 177.584 -0.010 0.000 1.160 223 A CA 1.843 53.870 52.037 -0.017 0.000 0.653 223 A CB -0.815 18.175 19.000 -0.016 0.000 0.801 223 A HN 0.791 nan 8.150 nan 0.000 0.455 224 G N -3.392 105.403 108.800 -0.009 0.000 2.234 224 G HA2 0.280 4.240 3.960 0.000 0.000 0.153 224 G HA3 0.280 4.240 3.960 0.000 0.000 0.153 224 G C 0.260 175.158 174.900 -0.003 0.000 1.013 224 G CA 0.067 45.164 45.100 -0.005 0.000 0.712 224 G HN 1.428 nan 8.290 nan 0.000 0.491 225 A N 0.392 123.210 122.820 -0.005 0.000 2.462 225 A HA 0.560 4.880 4.320 0.000 0.000 0.243 225 A C 1.080 178.662 177.584 -0.004 0.000 1.076 225 A CA 0.836 52.870 52.037 -0.004 0.000 0.773 225 A CB 0.364 19.360 19.000 -0.008 0.000 1.010 225 A HN 0.164 nan 8.150 nan 0.000 0.493 226 D N 0.025 120.424 120.400 -0.002 0.000 2.259 226 D HA 0.039 4.679 4.640 0.000 0.000 0.216 226 D C 0.460 176.760 176.300 0.000 0.000 0.961 226 D CA 1.121 55.121 54.000 0.000 0.000 0.878 226 D CB 0.325 41.126 40.800 0.002 0.000 1.009 226 D HN 0.634 nan 8.370 nan 0.000 0.490 227 Q N 0.706 120.505 119.800 -0.001 0.000 2.337 227 Q HA 0.434 4.774 4.340 0.000 0.000 0.270 227 Q C -1.562 174.435 176.000 -0.006 0.000 1.043 227 Q CA -0.494 55.308 55.803 -0.002 0.000 0.794 227 Q CB 2.467 31.205 28.738 -0.001 0.000 1.281 227 Q HN -0.247 nan 8.270 nan 0.000 0.446 228 V N 5.287 125.199 119.914 -0.004 0.000 2.540 228 V HA 0.592 4.712 4.120 0.000 0.000 0.302 228 V C -0.424 175.664 176.094 -0.010 0.000 1.035 228 V CA -0.622 61.672 62.300 -0.009 0.000 0.873 228 V CB 1.741 33.561 31.823 -0.005 0.000 0.992 228 V HN 0.776 nan 8.190 nan 0.000 0.428 229 I N 2.878 123.433 120.570 -0.026 0.000 2.436 229 I HA 0.430 4.600 4.170 0.000 0.000 0.289 229 I C -0.137 175.944 176.117 -0.059 0.000 1.010 229 I CA -0.201 61.080 61.300 -0.033 0.000 1.098 229 I CB 2.310 40.286 38.000 -0.040 0.000 1.266 229 I HN 0.543 nan 8.210 nan 0.000 0.434 230 S N 7.617 123.290 115.700 -0.045 0.000 2.252 230 S HA 0.220 4.690 4.470 0.000 0.000 0.180 230 S C -1.542 173.012 174.600 -0.077 0.000 1.534 230 S CA -1.122 57.033 58.200 -0.075 0.000 1.141 230 S CB 0.444 63.653 63.200 0.015 0.000 1.122 230 S HN 0.526 nan 8.310 nan 0.000 0.475 231 P HA -0.239 nan 4.420 nan 0.000 0.219 231 P C 1.042 178.453 177.300 0.184 0.000 1.153 231 P CA 1.667 64.749 63.100 -0.030 0.000 0.865 231 P CB -0.128 31.510 31.700 -0.103 0.000 0.788 232 F N -0.781 119.166 119.950 -0.005 0.000 2.259 232 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 232 F C 2.534 178.323 175.800 -0.019 0.000 1.088 232 F CA 0.103 58.098 58.000 -0.008 0.000 1.358 232 F CB -0.646 38.355 39.000 0.002 0.000 1.040 232 F HN -0.253 nan 8.300 nan 0.000 0.505 233 V N 0.829 120.836 119.914 0.156 0.000 2.358 233 V HA -0.284 3.836 4.120 0.000 0.000 0.246 233 V C 2.196 178.305 176.094 0.025 0.000 1.047 233 V CA 1.442 63.765 62.300 0.038 0.000 1.035 233 V CB -0.468 31.339 31.823 -0.026 0.000 0.658 233 V HN 0.284 nan 8.190 nan 0.000 0.452 234 I N 0.048 120.643 120.570 0.042 0.000 2.099 234 I HA -0.275 3.895 4.170 0.000 0.000 0.239 234 I C 2.787 178.926 176.117 0.037 0.000 1.066 234 I CA 1.981 63.299 61.300 0.030 0.000 1.324 234 I CB -0.658 37.360 38.000 0.030 0.000 1.037 234 I HN 0.362 nan 8.210 nan 0.000 0.401 235 S N 0.879 116.619 115.700 0.068 0.000 2.368 235 S HA -0.210 4.260 4.470 0.000 0.000 0.226 235 S C 2.101 176.711 174.600 0.016 0.000 1.044 235 S CA 2.023 60.252 58.200 0.048 0.000 1.062 235 S CB -0.901 62.346 63.200 0.078 0.000 0.931 235 S HN 0.581 nan 8.310 nan 0.000 0.440 236 G N 1.365 110.176 108.800 0.018 0.000 2.480 236 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 236 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 236 G C 1.554 176.445 174.900 -0.016 0.000 1.200 236 G CA 0.902 45.997 45.100 -0.010 0.000 0.782 236 G HN 0.587 nan 8.290 nan 0.000 0.554 237 R N -0.133 120.357 120.500 -0.017 0.000 2.096 237 R HA 0.010 4.350 4.340 0.000 0.000 0.240 237 R C 2.710 179.005 176.300 -0.009 0.000 1.139 237 R CA 1.216 57.304 56.100 -0.020 0.000 0.952 237 R CB -0.649 29.636 30.300 -0.026 0.000 0.854 237 R HN 0.312 nan 8.270 nan 0.000 0.436 238 L N 0.285 121.508 121.223 0.001 0.000 2.043 238 L HA -0.270 4.070 4.340 0.000 0.000 0.212 238 L C 2.595 179.461 176.870 -0.007 0.000 1.075 238 L CA 1.500 56.343 54.840 0.005 0.000 0.752 238 L CB -0.375 41.691 42.059 0.011 0.000 0.891 238 L HN 0.307 nan 8.230 nan 0.000 0.432 239 M N -0.455 119.137 119.600 -0.013 0.000 2.126 239 M HA -0.242 4.238 4.480 0.000 0.000 0.259 239 M C 2.650 178.937 176.300 -0.022 0.000 1.073 239 M CA 2.421 57.708 55.300 -0.022 0.000 1.103 239 M CB -0.597 31.986 32.600 -0.028 0.000 1.284 239 M HN 0.392 nan 8.290 nan 0.000 0.420 240 S N 0.274 115.961 115.700 -0.021 0.000 2.423 240 S HA -0.204 4.266 4.470 0.000 0.000 0.238 240 S C 1.806 176.397 174.600 -0.015 0.000 1.028 240 S CA 1.477 59.666 58.200 -0.019 0.000 1.000 240 S CB -0.653 62.535 63.200 -0.020 0.000 0.797 240 S HN 0.465 nan 8.310 nan 0.000 0.487 241 R N 1.069 121.562 120.500 -0.011 0.000 2.276 241 R HA 0.154 4.494 4.340 0.000 0.000 0.196 241 R C 1.523 177.818 176.300 -0.009 0.000 0.961 241 R CA 0.887 56.985 56.100 -0.004 0.000 1.024 241 R CB -0.025 30.278 30.300 0.005 0.000 0.940 241 R HN 0.686 nan 8.270 nan 0.000 0.480 242 S N -0.710 114.978 115.700 -0.021 0.000 2.575 242 S HA 0.199 4.669 4.470 0.000 0.000 0.237 242 S C 1.418 175.992 174.600 -0.044 0.000 0.975 242 S CA -0.352 57.823 58.200 -0.041 0.000 0.960 242 S CB -0.031 63.139 63.200 -0.050 0.000 0.822 242 S HN 0.132 nan 8.310 nan 0.000 0.472 243 I N 2.740 123.292 120.570 -0.030 0.000 2.286 243 I HA -0.166 4.004 4.170 0.000 0.000 0.245 243 I C 2.142 178.243 176.117 -0.026 0.000 1.104 243 I CA 1.577 62.861 61.300 -0.027 0.000 1.397 243 I CB -0.448 37.541 38.000 -0.019 0.000 1.072 243 I HN 0.472 nan 8.210 nan 0.000 0.417 244 D N 0.449 120.838 120.400 -0.018 0.000 1.865 244 D HA -0.073 4.567 4.640 0.000 0.000 0.279 244 D C 0.299 176.584 176.300 -0.024 0.000 1.015 244 D CA 0.622 54.618 54.000 -0.007 0.000 0.925 244 D CB -0.189 40.619 40.800 0.012 0.000 1.252 244 D HN 0.013 nan 8.370 nan 0.000 0.480 245 D N -1.187 119.200 120.400 -0.021 0.000 2.350 245 D HA 0.370 5.010 4.640 0.000 0.000 0.245 245 D C 0.244 176.414 176.300 -0.216 0.000 1.036 245 D CA -0.520 53.410 54.000 -0.116 0.000 0.848 245 D CB 1.866 42.728 40.800 0.103 0.000 1.307 245 D HN 0.462 nan 8.370 nan 0.000 0.469 246 G N 0.966 109.511 108.800 -0.425 0.000 3.440 246 G HA2 -0.011 3.949 3.960 0.000 0.000 0.263 246 G HA3 -0.011 3.949 3.960 0.000 0.000 0.263 246 G C 0.572 175.296 174.900 -0.294 0.000 1.236 246 G CA 0.012 44.931 45.100 -0.301 0.000 0.927 246 G HN 0.429 nan 8.290 nan 0.000 0.530 247 Y N 1.273 121.588 120.300 0.026 0.000 2.184 247 Y HA -0.138 4.412 4.550 -0.000 0.000 0.290 247 Y C 2.864 178.807 175.900 0.071 0.000 1.129 247 Y CA 1.199 59.325 58.100 0.043 0.000 1.144 247 Y CB 0.066 38.538 38.460 0.021 0.000 0.995 247 Y HN 0.335 nan 8.280 nan 0.000 0.513 248 E N 0.910 121.224 120.200 0.190 0.000 2.097 248 E HA -0.257 4.093 4.350 0.000 0.000 0.196 248 E C 2.139 178.830 176.600 0.152 0.000 1.000 248 E CA 1.597 58.083 56.400 0.143 0.000 0.804 248 E CB -0.746 29.003 29.700 0.082 0.000 0.740 248 E HN 0.468 nan 8.360 nan 0.000 0.454 249 A N 0.630 123.502 122.820 0.086 0.000 2.072 249 A HA 0.158 4.478 4.320 0.000 0.000 0.216 249 A C 2.259 179.880 177.584 0.062 0.000 1.156 249 A CA 0.680 52.752 52.037 0.059 0.000 0.701 249 A CB -0.345 18.661 19.000 0.011 0.000 0.816 249 A HN 0.177 nan 8.150 nan 0.000 0.458 250 M N -1.871 117.777 119.600 0.080 0.000 2.254 250 M HA -0.004 4.476 4.480 0.000 0.000 0.265 250 M C 1.876 178.252 176.300 0.126 0.000 1.066 250 M CA 1.224 56.572 55.300 0.081 0.000 1.123 250 M CB -0.210 32.448 32.600 0.096 0.000 1.388 250 M HN 0.577 nan 8.290 nan 0.000 0.425 251 F N 0.412 120.388 119.950 0.044 0.000 2.014 251 F HA -0.199 4.328 4.527 0.000 0.000 0.295 251 F C 2.030 177.842 175.800 0.019 0.000 1.145 251 F CA 1.717 59.739 58.000 0.036 0.000 1.178 251 F CB -0.839 38.184 39.000 0.037 0.000 0.972 251 F HN -0.204 nan 8.300 nan 0.000 0.476 252 V N 0.682 120.550 119.914 -0.077 0.000 2.250 252 V HA -0.419 3.701 4.120 0.000 0.000 0.253 252 V C 2.449 178.432 176.094 -0.185 0.000 1.065 252 V CA 2.585 64.775 62.300 -0.182 0.000 1.039 252 V CB -0.964 30.855 31.823 -0.006 0.000 0.647 252 V HN 0.483 nan 8.190 nan 0.000 0.446 253 Q N -1.005 118.737 119.800 -0.097 0.000 2.079 253 Q HA -0.215 4.125 4.340 0.000 0.000 0.200 253 Q C 2.079 178.021 176.000 -0.097 0.000 0.974 253 Q CA 1.814 57.569 55.803 -0.078 0.000 0.840 253 Q CB -0.173 28.542 28.738 -0.039 0.000 0.898 253 Q HN 0.656 nan 8.270 nan 0.000 0.430 254 D N -0.430 119.908 120.400 -0.103 0.000 2.117 254 D HA -0.120 4.520 4.640 0.000 0.000 0.198 254 D C 1.845 178.060 176.300 -0.142 0.000 0.982 254 D CA 0.817 54.763 54.000 -0.090 0.000 0.828 254 D CB 0.042 40.818 40.800 -0.040 0.000 0.967 254 D HN 0.005 nan 8.370 nan 0.000 0.464 255 V N 0.675 120.421 119.914 -0.281 0.000 2.392 255 V HA -0.195 3.925 4.120 0.000 0.000 0.249 255 V C 2.246 178.227 176.094 -0.188 0.000 1.059 255 V CA 1.178 63.292 62.300 -0.310 0.000 1.051 255 V CB -0.456 30.996 31.823 -0.619 0.000 0.658 255 V HN 0.279 nan 8.190 nan 0.000 0.455 256 L N -0.093 121.029 121.223 -0.169 0.000 2.554 256 L HA 0.239 4.579 4.340 0.000 0.000 0.226 256 L C 1.148 177.975 176.870 -0.071 0.000 1.137 256 L CA 0.130 54.907 54.840 -0.104 0.000 0.863 256 L CB -0.402 41.601 42.059 -0.092 0.000 0.985 256 L HN 0.304 nan 8.230 nan 0.000 0.451 257 A N 0.363 123.140 122.820 -0.070 0.000 2.301 257 A HA 0.268 4.588 4.320 0.000 0.000 0.298 257 A C 0.387 177.950 177.584 -0.035 0.000 1.185 257 A CA -0.498 51.512 52.037 -0.045 0.000 0.830 257 A CB 0.125 19.101 19.000 -0.040 0.000 1.112 257 A HN 0.326 nan 8.150 nan 0.000 0.508 258 E N 2.289 122.475 120.200 -0.024 0.000 3.057 258 E HA 0.070 4.420 4.350 0.000 0.000 0.314 258 E C -0.289 176.305 176.600 -0.011 0.000 1.433 258 E CA 0.457 56.848 56.400 -0.015 0.000 1.546 258 E CB -0.350 29.344 29.700 -0.009 0.000 1.224 258 E HN 0.687 nan 8.360 nan 0.000 0.483 259 E N -0.356 119.837 120.200 -0.013 0.000 2.456 259 E HA 0.214 4.564 4.350 0.000 0.000 0.276 259 E C 0.045 176.644 176.600 -0.002 0.000 0.981 259 E CA -0.437 55.959 56.400 -0.006 0.000 0.814 259 E CB 1.694 31.391 29.700 -0.006 0.000 1.382 259 E HN 0.167 nan 8.360 nan 0.000 0.459 260 S N -0.817 114.886 115.700 0.005 0.000 3.270 260 S HA -0.303 4.167 4.470 0.000 0.000 0.293 260 S C 0.844 175.453 174.600 0.015 0.000 1.278 260 S CA 1.960 60.167 58.200 0.012 0.000 1.038 260 S CB -2.112 61.098 63.200 0.017 0.000 1.218 260 S HN 0.860 nan 8.310 nan 0.000 0.659 261 T N 0.256 114.817 114.554 0.011 0.000 12.940 261 T HA -0.295 4.055 4.350 0.000 0.000 0.419 261 T C 0.325 175.034 174.700 0.016 0.000 1.444 261 T CA 1.772 63.880 62.100 0.013 0.000 2.373 261 T CB -1.355 67.523 68.868 0.016 0.000 2.821 261 T HN 0.985 nan 8.240 nan 0.000 0.696 262 R N 3.114 123.628 120.500 0.023 0.000 2.478 262 R HA 0.138 4.478 4.340 0.000 0.000 0.281 262 R C 0.392 176.702 176.300 0.018 0.000 0.939 262 R CA 1.109 57.227 56.100 0.031 0.000 1.120 262 R CB -0.358 29.969 30.300 0.046 0.000 0.885 262 R HN 0.620 nan 8.270 nan 0.000 0.415 263 R N 2.190 122.703 120.500 0.022 0.000 2.574 263 R HA 0.301 4.641 4.340 0.000 0.000 0.288 263 R C -0.132 176.179 176.300 0.018 0.000 1.004 263 R CA -0.740 55.367 56.100 0.010 0.000 0.895 263 R CB 2.267 32.573 30.300 0.010 0.000 1.191 263 R HN 0.473 nan 8.270 nan 0.000 0.444 264 M N 3.950 123.552 119.600 0.004 0.000 2.184 264 M HA 0.263 4.743 4.480 0.000 0.000 0.351 264 M C -1.269 175.042 176.300 0.019 0.000 1.395 264 M CA 0.001 55.311 55.300 0.017 0.000 1.117 264 M CB 0.607 33.204 32.600 -0.005 0.000 1.708 264 M HN 0.344 nan 8.290 nan 0.000 0.468 265 V N 5.142 125.075 119.914 0.033 0.000 2.876 265 V HA 0.408 4.528 4.120 0.000 0.000 0.312 265 V C -0.919 175.201 176.094 0.042 0.000 1.085 265 V CA -0.793 61.528 62.300 0.034 0.000 0.945 265 V CB 2.506 34.350 31.823 0.036 0.000 1.017 265 V HN 0.847 nan 8.190 nan 0.000 0.428 266 E N 2.824 123.048 120.200 0.041 0.000 2.102 266 E HA 0.642 4.992 4.350 0.000 0.000 0.263 266 E C -1.456 175.177 176.600 0.055 0.000 0.894 266 E CA -0.587 55.842 56.400 0.048 0.000 0.746 266 E CB 1.946 31.669 29.700 0.039 0.000 1.129 266 E HN 0.285 nan 8.360 nan 0.000 0.416 267 V N 4.992 124.948 119.914 0.070 0.000 2.435 267 V HA 0.397 4.517 4.120 0.000 0.000 0.290 267 V C -1.896 174.252 176.094 0.089 0.000 1.030 267 V CA -1.882 60.462 62.300 0.074 0.000 0.881 267 V CB 1.487 33.358 31.823 0.080 0.000 0.983 267 V HN 0.720 nan 8.190 nan 0.000 0.445 268 P HA 0.427 nan 4.420 nan 0.000 0.284 268 P C -0.787 176.565 177.300 0.086 0.000 1.258 268 P CA -0.476 62.673 63.100 0.081 0.000 0.824 268 P CB 1.610 33.346 31.700 0.060 0.000 1.038 269 I N 4.373 125.004 120.570 0.101 0.000 2.291 269 I HA 0.197 4.367 4.170 0.000 0.000 0.290 269 I C -1.580 174.572 176.117 0.058 0.000 1.050 269 I CA -2.508 58.847 61.300 0.091 0.000 1.245 269 I CB 0.932 39.019 38.000 0.144 0.000 1.405 269 I HN 0.189 nan 8.210 nan 0.000 0.478 270 P HA -0.109 nan 4.420 nan 0.000 0.269 270 P C 0.520 177.832 177.300 0.020 0.000 1.205 270 P CA 0.157 63.271 63.100 0.024 0.000 0.780 270 P CB 1.076 32.783 31.700 0.012 0.000 0.858 271 E N 2.109 122.318 120.200 0.016 0.000 2.070 271 E HA -0.130 4.220 4.350 0.000 0.000 0.197 271 E C 1.138 177.741 176.600 0.005 0.000 1.004 271 E CA 1.907 58.315 56.400 0.013 0.000 0.805 271 E CB -1.002 28.704 29.700 0.010 0.000 0.744 271 E HN 0.660 nan 8.360 nan 0.000 0.451 272 G N 0.385 109.184 108.800 -0.002 0.000 2.741 272 G HA2 0.383 4.343 3.960 0.000 0.000 0.336 272 G HA3 0.383 4.343 3.960 0.000 0.000 0.336 272 G C -0.977 173.910 174.900 -0.022 0.000 1.022 272 G CA -0.005 45.089 45.100 -0.011 0.000 1.193 272 G HN 0.163 nan 8.290 nan 0.000 0.455 273 S N 1.646 117.330 115.700 -0.027 0.000 2.472 273 S HA 0.328 4.798 4.470 0.000 0.000 0.303 273 S C 1.148 175.699 174.600 -0.082 0.000 1.099 273 S CA -0.893 57.275 58.200 -0.053 0.000 1.077 273 S CB 0.880 64.055 63.200 -0.042 0.000 1.031 273 S HN 0.609 nan 8.310 nan 0.000 0.487 274 K N 4.203 124.528 120.400 -0.126 0.000 2.668 274 K HA 0.157 4.477 4.320 0.000 0.000 0.204 274 K C 0.678 177.160 176.600 -0.197 0.000 1.016 274 K CA 0.548 56.744 56.287 -0.153 0.000 1.131 274 K CB -0.292 32.097 32.500 -0.185 0.000 0.891 274 K HN 0.558 nan 8.250 nan 0.000 0.499 275 L N 0.057 121.178 121.223 -0.170 0.000 2.758 275 L HA 0.092 4.432 4.340 0.000 0.000 0.234 275 L C 0.531 177.361 176.870 -0.067 0.000 1.049 275 L CA -0.321 54.410 54.840 -0.182 0.000 0.908 275 L CB 0.386 42.263 42.059 -0.303 0.000 1.362 275 L HN 0.272 nan 8.230 nan 0.000 0.499 276 E N 1.097 121.281 120.200 -0.026 0.000 3.102 276 E HA -0.025 4.325 4.350 0.000 0.000 0.235 276 E C 1.034 177.643 176.600 0.015 0.000 0.995 276 E CA 1.110 57.524 56.400 0.023 0.000 0.950 276 E CB -0.122 29.584 29.700 0.010 0.000 0.905 276 E HN 0.438 nan 8.360 nan 0.000 0.553 277 G N 2.536 111.358 108.800 0.038 0.000 2.238 277 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 277 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 277 G C 0.223 175.143 174.900 0.034 0.000 0.996 277 G CA -0.104 45.005 45.100 0.015 0.000 0.632 277 G HN 0.572 nan 8.290 nan 0.000 0.503 278 V N 1.599 121.545 119.914 0.054 0.000 2.924 278 V HA 0.569 4.689 4.120 0.000 0.000 0.305 278 V C 1.212 177.409 176.094 0.171 0.000 1.073 278 V CA 0.567 62.907 62.300 0.067 0.000 1.098 278 V CB 1.629 33.453 31.823 0.002 0.000 1.000 278 V HN 0.630 nan 8.190 nan 0.000 0.484 279 S N 2.289 118.080 115.700 0.150 0.000 2.562 279 S HA 0.241 4.711 4.470 0.000 0.000 0.275 279 S C 1.008 175.788 174.600 0.300 0.000 1.281 279 S CA -0.659 57.663 58.200 0.203 0.000 1.045 279 S CB 1.495 64.770 63.200 0.125 0.000 0.962 279 S HN 0.444 nan 8.310 nan 0.000 0.503 280 V N 5.980 126.151 119.914 0.427 0.000 2.282 280 V HA -0.199 3.921 4.120 0.000 0.000 0.249 280 V C 2.345 178.596 176.094 0.263 0.000 1.057 280 V CA 2.273 64.870 62.300 0.494 0.000 1.032 280 V CB -0.926 31.122 31.823 0.376 0.000 0.645 280 V HN 0.894 nan 8.190 nan 0.000 0.447 281 L N -0.258 121.077 121.223 0.187 0.000 2.079 281 L HA -0.219 4.121 4.340 0.000 0.000 0.210 281 L C 2.351 179.287 176.870 0.110 0.000 1.081 281 L CA 1.912 56.827 54.840 0.124 0.000 0.752 281 L CB -0.443 41.673 42.059 0.095 0.000 0.896 281 L HN 0.413 nan 8.230 nan 0.000 0.433 282 D N -0.139 120.330 120.400 0.116 0.000 2.183 282 D HA -0.096 4.544 4.640 0.000 0.000 0.203 282 D C 2.040 178.399 176.300 0.100 0.000 0.969 282 D CA 1.285 55.340 54.000 0.091 0.000 0.842 282 D CB 0.154 41.000 40.800 0.077 0.000 0.957 282 D HN 0.452 nan 8.370 nan 0.000 0.484 283 A N 0.654 123.547 122.820 0.121 0.000 2.167 283 A HA -0.087 4.233 4.320 0.000 0.000 0.214 283 A C 0.468 178.131 177.584 0.131 0.000 1.151 283 A CA 0.292 52.420 52.037 0.153 0.000 0.735 283 A CB -0.046 19.004 19.000 0.085 0.000 0.802 283 A HN -0.037 nan 8.150 nan 0.000 0.467 284 D N -0.601 119.855 120.400 0.093 0.000 2.733 284 D HA -0.209 4.431 4.640 0.000 0.000 0.228 284 D C 0.895 177.187 176.300 -0.013 0.000 1.182 284 D CA 0.772 54.802 54.000 0.051 0.000 0.620 284 D CB -1.359 39.455 40.800 0.024 0.000 1.027 284 D HN 0.636 nan 8.370 nan 0.000 0.415 285 I N -0.955 119.617 120.570 0.005 0.000 2.290 285 I HA -0.391 3.779 4.170 0.000 0.000 0.253 285 I C 2.251 178.344 176.117 -0.040 0.000 1.112 285 I CA 1.424 62.673 61.300 -0.084 0.000 1.377 285 I CB -0.340 37.681 38.000 0.035 0.000 1.060 285 I HN 0.312 nan 8.210 nan 0.000 0.428 286 H N 1.463 120.494 119.070 -0.065 0.000 2.261 286 H HA -0.160 4.396 4.556 -0.000 0.000 0.301 286 H C 1.901 177.182 175.328 -0.079 0.000 1.067 286 H CA 1.863 57.879 56.048 -0.054 0.000 1.297 286 H CB -0.343 29.405 29.762 -0.023 0.000 1.377 286 H HN 0.214 nan 8.280 nan 0.000 0.492 287 D N -0.248 120.069 120.400 -0.138 0.000 2.133 287 D HA -0.143 4.497 4.640 0.000 0.000 0.195 287 D C 2.403 178.583 176.300 -0.200 0.000 0.997 287 D CA 1.631 55.505 54.000 -0.210 0.000 0.840 287 D CB -0.131 40.603 40.800 -0.110 0.000 0.947 287 D HN 0.272 nan 8.370 nan 0.000 0.452 288 V N 0.524 120.303 119.914 -0.224 0.000 2.283 288 V HA -0.157 3.963 4.120 0.000 0.000 0.243 288 V C 2.482 178.399 176.094 -0.294 0.000 1.039 288 V CA 1.800 63.907 62.300 -0.323 0.000 1.016 288 V CB -0.615 30.802 31.823 -0.678 0.000 0.650 288 V HN 0.161 nan 8.190 nan 0.000 0.449 289 T N -1.391 112.998 114.554 -0.274 0.000 3.033 289 T HA 0.313 4.663 4.350 0.000 0.000 0.248 289 T C 1.482 176.141 174.700 -0.069 0.000 1.040 289 T CA 1.227 63.232 62.100 -0.159 0.000 1.133 289 T CB 0.501 69.291 68.868 -0.129 0.000 0.895 289 T HN 0.773 nan 8.240 nan 0.000 0.465 290 G N 0.926 109.707 108.800 -0.033 0.000 2.176 290 G HA2 -0.222 3.738 3.960 0.000 0.000 0.232 290 G HA3 -0.222 3.738 3.960 0.000 0.000 0.232 290 G C 0.230 175.237 174.900 0.178 0.000 0.986 290 G CA -0.021 45.094 45.100 0.025 0.000 0.643 290 G HN 0.507 nan 8.290 nan 0.000 0.522 291 V N 2.859 122.855 119.914 0.136 0.000 2.389 291 V HA 0.387 4.507 4.120 0.000 0.000 0.264 291 V C 1.139 177.292 176.094 0.099 0.000 1.049 291 V CA -0.436 61.926 62.300 0.105 0.000 0.932 291 V CB 0.963 32.826 31.823 0.066 0.000 1.011 291 V HN 0.333 nan 8.190 nan 0.000 0.475 292 I N 6.631 127.216 120.570 0.025 0.000 2.618 292 I HA 0.162 4.332 4.170 0.000 0.000 0.284 292 I C 0.439 176.537 176.117 -0.031 0.000 1.146 292 I CA 0.211 61.440 61.300 -0.118 0.000 1.425 292 I CB 0.517 38.429 38.000 -0.147 0.000 1.383 292 I HN 0.569 nan 8.210 nan 0.000 0.562 293 I N 5.814 126.366 120.570 -0.030 0.000 2.306 293 I HA 0.297 4.467 4.170 0.000 0.000 0.288 293 I C 0.986 177.094 176.117 -0.016 0.000 1.036 293 I CA -0.489 60.823 61.300 0.020 0.000 1.221 293 I CB 0.766 38.814 38.000 0.080 0.000 1.385 293 I HN 0.619 nan 8.210 nan 0.000 0.472 294 I N 2.640 123.208 120.570 -0.004 0.000 3.684 294 I HA 0.631 4.801 4.170 0.000 0.000 0.304 294 I C 0.672 176.769 176.117 -0.033 0.000 1.278 294 I CA -0.082 61.206 61.300 -0.019 0.000 1.272 294 I CB -0.269 37.743 38.000 0.021 0.000 1.029 294 I HN 0.782 nan 8.210 nan 0.000 0.458 295 G N 0.340 109.116 108.800 -0.040 0.000 2.358 295 G HA2 0.407 4.367 3.960 0.000 0.000 0.301 295 G HA3 0.407 4.367 3.960 0.000 0.000 0.301 295 G C -1.572 173.273 174.900 -0.092 0.000 1.539 295 G CA -0.563 44.485 45.100 -0.086 0.000 0.893 295 G HN -0.060 nan 8.290 nan 0.000 0.636 296 V N -0.126 119.676 119.914 -0.187 0.000 2.628 296 V HA 0.930 5.050 4.120 0.000 0.000 0.306 296 V C 0.764 176.787 176.094 -0.119 0.000 1.045 296 V CA 0.001 62.198 62.300 -0.171 0.000 0.905 296 V CB 1.944 33.543 31.823 -0.373 0.000 0.997 296 V HN 1.496 nan 8.190 nan 0.000 0.436 297 G N 2.511 111.292 108.800 -0.032 0.000 2.530 297 G HA2 0.629 4.589 3.960 0.000 0.000 0.316 297 G HA3 0.629 4.589 3.960 0.000 0.000 0.316 297 G C -0.695 174.221 174.900 0.027 0.000 1.298 297 G CA -0.716 44.380 45.100 -0.007 0.000 0.948 297 G HN 0.415 nan 8.290 nan 0.000 0.486 298 R N 1.957 122.474 120.500 0.028 0.000 2.423 298 R HA 0.342 4.682 4.340 0.000 0.000 0.293 298 R C 0.801 177.117 176.300 0.027 0.000 1.196 298 R CA -0.411 55.713 56.100 0.040 0.000 1.262 298 R CB 0.797 31.127 30.300 0.050 0.000 1.116 298 R HN 0.996 nan 8.270 nan 0.000 0.566 299 G N 2.991 111.807 108.800 0.027 0.000 2.780 299 G HA2 -0.273 3.687 3.960 0.000 0.000 0.343 299 G HA3 -0.273 3.687 3.960 0.000 0.000 0.343 299 G C 0.209 175.118 174.900 0.016 0.000 0.120 299 G CA 0.634 45.746 45.100 0.021 0.000 1.237 299 G HN 0.786 nan 8.290 nan 0.000 0.526 300 D N 0.227 120.635 120.400 0.013 0.000 2.946 300 D HA -0.165 4.475 4.640 0.000 0.000 0.202 300 D C 0.491 176.796 176.300 0.008 0.000 1.068 300 D CA 2.158 56.164 54.000 0.010 0.000 1.011 300 D CB -0.687 40.119 40.800 0.010 0.000 1.105 300 D HN 0.932 nan 8.370 nan 0.000 0.425 301 E N -0.431 119.773 120.200 0.008 0.000 2.366 301 E HA 0.664 5.014 4.350 0.000 0.000 0.278 301 E C -1.562 175.034 176.600 -0.006 0.000 0.923 301 E CA -0.728 55.674 56.400 0.002 0.000 0.761 301 E CB 2.484 32.187 29.700 0.005 0.000 1.231 301 E HN 0.104 nan 8.360 nan 0.000 0.443 302 L N 4.485 125.697 121.223 -0.018 0.000 2.482 302 L HA 0.601 4.941 4.340 0.000 0.000 0.263 302 L C -1.771 175.063 176.870 -0.061 0.000 0.957 302 L CA -0.577 54.239 54.840 -0.039 0.000 0.836 302 L CB 1.470 43.513 42.059 -0.026 0.000 1.324 302 L HN 0.565 nan 8.230 nan 0.000 0.406 303 I N 4.699 125.202 120.570 -0.112 0.000 2.404 303 I HA 0.269 4.439 4.170 0.000 0.000 0.293 303 I C 0.184 176.215 176.117 -0.143 0.000 0.992 303 I CA -0.611 60.607 61.300 -0.137 0.000 1.149 303 I CB 1.878 39.749 38.000 -0.214 0.000 1.315 303 I HN 0.640 nan 8.210 nan 0.000 0.446 304 I N 3.006 123.515 120.570 -0.102 0.000 2.330 304 I HA -0.105 4.065 4.170 0.000 0.000 0.229 304 I C 1.213 177.268 176.117 -0.103 0.000 1.063 304 I CA 1.209 62.458 61.300 -0.086 0.000 1.367 304 I CB -0.138 37.829 38.000 -0.055 0.000 1.158 304 I HN 0.571 nan 8.210 nan 0.000 0.411 305 D N 3.240 123.586 120.400 -0.089 0.000 2.470 305 D HA 0.105 4.745 4.640 0.000 0.000 0.226 305 D C -2.253 173.980 176.300 -0.111 0.000 1.196 305 D CA -2.271 51.678 54.000 -0.085 0.000 0.979 305 D CB -0.038 40.725 40.800 -0.062 0.000 1.059 305 D HN 0.053 nan 8.370 nan 0.000 0.515 306 P HA 0.113 nan 4.420 nan 0.000 0.264 306 P C -2.461 174.772 177.300 -0.111 0.000 1.193 306 P CA -0.962 61.983 63.100 -0.257 0.000 0.763 306 P CB 0.110 31.512 31.700 -0.497 0.000 0.810 307 P HA 0.072 nan 4.420 nan 0.000 0.267 307 P C 1.031 178.371 177.300 0.066 0.000 1.200 307 P CA -0.019 63.090 63.100 0.015 0.000 0.772 307 P CB 0.934 32.654 31.700 0.033 0.000 0.855 308 R N 1.685 122.222 120.500 0.062 0.000 2.112 308 R HA -0.168 4.172 4.340 0.000 0.000 0.242 308 R C 1.410 177.779 176.300 0.115 0.000 1.137 308 R CA 2.145 58.296 56.100 0.085 0.000 0.944 308 R CB -0.794 29.543 30.300 0.061 0.000 0.857 308 R HN 0.656 nan 8.270 nan 0.000 0.435 309 D N -0.039 120.418 120.400 0.095 0.000 2.396 309 D HA -0.130 4.510 4.640 0.000 0.000 0.255 309 D C -0.261 176.103 176.300 0.107 0.000 1.224 309 D CA 0.084 54.136 54.000 0.086 0.000 0.894 309 D CB -0.408 40.425 40.800 0.055 0.000 0.939 309 D HN 0.204 nan 8.370 nan 0.000 0.506 310 Y N 2.366 122.669 120.300 0.004 0.000 2.304 310 Y HA 0.235 4.785 4.550 0.000 0.000 0.327 310 Y C 0.084 175.984 175.900 -0.001 0.000 1.209 310 Y CA -0.932 57.145 58.100 -0.039 0.000 1.299 310 Y CB 1.220 39.613 38.460 -0.113 0.000 1.249 310 Y HN -0.042 nan 8.280 nan 0.000 0.519 311 S N 5.521 120.812 115.700 -0.682 0.000 2.596 311 S HA 0.485 4.955 4.470 0.000 0.000 0.318 311 S C -0.993 173.315 174.600 -0.486 0.000 1.097 311 S CA -0.797 57.193 58.200 -0.351 0.000 1.080 311 S CB 0.021 63.096 63.200 -0.208 0.000 0.991 311 S HN 0.447 nan 8.310 nan 0.000 0.471 312 F N 2.728 122.556 119.950 -0.204 0.000 2.595 312 F HA 0.341 4.868 4.527 -0.000 0.000 0.359 312 F C 1.637 177.384 175.800 -0.088 0.000 1.147 312 F CA 0.192 58.155 58.000 -0.062 0.000 1.341 312 F CB 0.554 39.585 39.000 0.052 0.000 1.104 312 F HN 0.581 nan 8.300 nan 0.000 0.603 313 R N 0.729 121.301 120.500 0.119 0.000 3.328 313 R HA 0.735 5.075 4.340 0.000 0.000 0.232 313 R C 0.849 177.203 176.300 0.091 0.000 1.606 313 R CA -0.422 55.713 56.100 0.059 0.000 1.025 313 R CB 0.226 30.529 30.300 0.005 0.000 1.701 313 R HN 0.615 nan 8.270 nan 0.000 0.526 314 A N 0.178 123.032 122.820 0.056 0.000 1.849 314 A HA 0.061 4.381 4.320 0.000 0.000 0.214 314 A C 1.964 179.586 177.584 0.064 0.000 1.269 314 A CA 1.369 53.438 52.037 0.053 0.000 0.605 314 A CB -1.528 17.491 19.000 0.032 0.000 0.937 314 A HN 0.756 nan 8.150 nan 0.000 0.461 315 G N -0.038 108.793 108.800 0.052 0.000 2.501 315 G HA2 -0.060 3.900 3.960 0.000 0.000 0.220 315 G HA3 -0.060 3.900 3.960 0.000 0.000 0.220 315 G C -0.025 174.917 174.900 0.070 0.000 1.114 315 G CA 0.750 45.881 45.100 0.053 0.000 0.757 315 G HN 0.488 nan 8.290 nan 0.000 0.559 316 D N -0.022 120.433 120.400 0.091 0.000 2.629 316 D HA 0.132 4.772 4.640 0.000 0.000 0.228 316 D C 0.358 176.734 176.300 0.126 0.000 1.127 316 D CA 0.791 54.861 54.000 0.117 0.000 0.855 316 D CB 0.826 41.726 40.800 0.166 0.000 1.180 316 D HN 0.112 nan 8.370 nan 0.000 0.484 317 I N 2.683 123.315 120.570 0.102 0.000 2.433 317 I HA 0.307 4.477 4.170 0.000 0.000 0.292 317 I C -0.103 176.075 176.117 0.102 0.000 1.001 317 I CA -0.809 60.548 61.300 0.096 0.000 1.119 317 I CB 1.560 39.598 38.000 0.062 0.000 1.289 317 I HN 0.135 nan 8.210 nan 0.000 0.438 318 I N 6.523 127.172 120.570 0.132 0.000 2.304 318 I HA 0.194 4.364 4.170 0.000 0.000 0.291 318 I C -0.598 175.573 176.117 0.089 0.000 1.018 318 I CA -0.642 60.743 61.300 0.141 0.000 1.260 318 I CB 1.531 39.659 38.000 0.214 0.000 1.390 318 I HN 0.309 nan 8.210 nan 0.000 0.475 319 L N 7.748 129.007 121.223 0.060 0.000 2.259 319 L HA 0.693 5.033 4.340 0.000 0.000 0.288 319 L C 0.058 176.959 176.870 0.052 0.000 1.051 319 L CA 0.284 55.152 54.840 0.046 0.000 0.824 319 L CB 0.588 42.664 42.059 0.027 0.000 1.206 319 L HN 0.591 nan 8.230 nan 0.000 0.429 320 G N 5.191 114.027 108.800 0.059 0.000 2.659 320 G HA2 0.623 4.583 3.960 0.000 0.000 0.296 320 G HA3 0.623 4.583 3.960 0.000 0.000 0.296 320 G C -1.345 173.591 174.900 0.061 0.000 1.369 320 G CA -0.650 44.485 45.100 0.058 0.000 0.937 320 G HN 0.480 nan 8.290 nan 0.000 0.485 321 I N 0.450 121.060 120.570 0.067 0.000 2.460 321 I HA 0.809 4.979 4.170 0.000 0.000 0.298 321 I C 0.625 176.781 176.117 0.066 0.000 0.989 321 I CA -0.536 60.809 61.300 0.075 0.000 1.173 321 I CB 2.124 40.198 38.000 0.123 0.000 1.338 321 I HN 0.815 nan 8.210 nan 0.000 0.456 322 G N 3.433 112.269 108.800 0.059 0.000 2.355 322 G HA2 0.317 4.277 3.960 0.000 0.000 0.296 322 G HA3 0.317 4.277 3.960 0.000 0.000 0.296 322 G C -1.711 173.216 174.900 0.044 0.000 1.507 322 G CA -1.039 44.095 45.100 0.058 0.000 0.823 322 G HN 0.370 nan 8.290 nan 0.000 0.569 323 K N 1.967 122.391 120.400 0.040 0.000 2.436 323 K HA 0.238 4.558 4.320 0.000 0.000 0.275 323 K C -1.020 175.596 176.600 0.026 0.000 0.999 323 K CA -1.007 55.297 56.287 0.029 0.000 0.980 323 K CB 1.022 33.537 32.500 0.024 0.000 0.919 323 K HN 0.226 nan 8.250 nan 0.000 0.484 324 P HA -0.281 nan 4.420 nan 0.000 0.216 324 P C 0.254 177.566 177.300 0.020 0.000 1.157 324 P CA 1.710 64.822 63.100 0.021 0.000 0.880 324 P CB 0.251 31.961 31.700 0.017 0.000 0.791 325 E N 0.457 120.666 120.200 0.016 0.000 2.033 325 E HA -0.229 4.121 4.350 0.000 0.000 0.199 325 E C 2.208 178.816 176.600 0.014 0.000 1.011 325 E CA 1.391 57.798 56.400 0.013 0.000 0.815 325 E CB -0.611 29.094 29.700 0.009 0.000 0.755 325 E HN 0.415 nan 8.360 nan 0.000 0.451 326 E N 0.652 120.860 120.200 0.014 0.000 2.086 326 E HA -0.246 4.104 4.350 0.000 0.000 0.200 326 E C 2.205 178.817 176.600 0.020 0.000 1.012 326 E CA 1.337 57.745 56.400 0.012 0.000 0.812 326 E CB -0.275 29.439 29.700 0.023 0.000 0.743 326 E HN 0.292 nan 8.360 nan 0.000 0.453 327 I N 0.863 121.450 120.570 0.028 0.000 2.076 327 I HA -0.330 3.840 4.170 0.000 0.000 0.237 327 I C 2.746 178.884 176.117 0.035 0.000 1.059 327 I CA 1.502 62.823 61.300 0.035 0.000 1.317 327 I CB -0.446 37.574 38.000 0.034 0.000 1.037 327 I HN 0.196 nan 8.210 nan 0.000 0.398 328 E N 1.207 121.424 120.200 0.030 0.000 2.086 328 E HA -0.331 4.019 4.350 0.000 0.000 0.200 328 E C 2.401 179.022 176.600 0.035 0.000 1.012 328 E CA 1.725 58.143 56.400 0.030 0.000 0.812 328 E CB -0.147 29.567 29.700 0.023 0.000 0.743 328 E HN 0.271 nan 8.360 nan 0.000 0.453 329 R N 0.376 120.893 120.500 0.028 0.000 2.105 329 R HA -0.135 4.205 4.340 0.000 0.000 0.239 329 R C 2.619 178.950 176.300 0.052 0.000 1.135 329 R CA 1.189 57.306 56.100 0.029 0.000 0.967 329 R CB -0.286 30.015 30.300 0.002 0.000 0.861 329 R HN 0.347 nan 8.270 nan 0.000 0.442 330 L N 0.771 122.022 121.223 0.047 0.000 2.093 330 L HA -0.168 4.172 4.340 0.000 0.000 0.208 330 L C 1.967 178.905 176.870 0.113 0.000 1.085 330 L CA 1.533 56.419 54.840 0.077 0.000 0.755 330 L CB -0.146 41.950 42.059 0.061 0.000 0.904 330 L HN 0.190 nan 8.230 nan 0.000 0.435 331 K N -0.277 120.170 120.400 0.078 0.000 2.057 331 K HA -0.153 4.167 4.320 0.000 0.000 0.207 331 K C 1.816 178.454 176.600 0.064 0.000 1.049 331 K CA 1.486 57.812 56.287 0.065 0.000 0.931 331 K CB -0.195 32.334 32.500 0.048 0.000 0.714 331 K HN 0.415 nan 8.250 nan 0.000 0.440 332 N N 0.612 119.355 118.700 0.071 0.000 2.142 332 N HA -0.180 4.560 4.740 0.000 0.000 0.186 332 N C 1.552 177.111 175.510 0.082 0.000 1.023 332 N CA 0.969 54.057 53.050 0.062 0.000 0.852 332 N CB -0.357 38.166 38.487 0.059 0.000 0.998 332 N HN 0.218 nan 8.380 nan 0.000 0.424 333 Y N 1.332 121.620 120.300 -0.019 0.000 2.751 333 Y HA -0.008 4.542 4.550 0.000 0.000 0.310 333 Y C 1.313 177.185 175.900 -0.047 0.000 1.176 333 Y CA 0.729 58.810 58.100 -0.032 0.000 1.360 333 Y CB -0.291 38.148 38.460 -0.035 0.000 0.999 333 Y HN 0.071 nan 8.280 nan 0.000 0.532 334 I N -2.303 118.234 120.570 -0.055 0.000 4.866 334 I HA 0.011 4.181 4.170 0.000 0.000 0.325 334 I C 0.742 176.814 176.117 -0.076 0.000 1.240 334 I CA 0.207 61.438 61.300 -0.115 0.000 1.355 334 I CB -0.255 37.724 38.000 -0.035 0.000 1.395 334 I HN -0.017 nan 8.210 nan 0.000 0.479 335 S N 3.093 118.774 115.700 -0.031 0.000 2.642 335 S HA 0.266 4.736 4.470 0.000 0.000 0.308 335 S C 0.765 175.344 174.600 -0.035 0.000 1.255 335 S CA -0.155 58.033 58.200 -0.020 0.000 1.057 335 S CB 0.145 63.343 63.200 -0.003 0.000 0.785 335 S HN 0.711 nan 8.310 nan 0.000 0.500 336 A N 0.000 122.804 122.820 -0.026 0.000 2.254 336 A HA 0.000 4.320 4.320 0.000 0.000 0.244 336 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 336 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 336 A HN 0.000 nan 8.150 nan 0.000 0.486