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 2og6_1_A DATA FIRST_RESID 10 DATA SEQUENCE SRYDVTLDQS DAELVEEIAW KLATQATGRP DDAEWVEAAR NAWHAWPATL DATA SEQUENCE RRDLAGFRRD SGPDGAIVLR GLPVDSMGLP PTPRVNGSVQ REASLGAAVL DATA SEQUENCE LMTACGLGDP GAFLPEKNGA LVQDVVPVPG MEEFQGNAGS TLLTFHNENA DATA SEQUENCE FHEHRPDFVM LLCLRADPTG RAGLRTACVR RVLPLLSDST VDALWAPEFR DATA SEQUENCE TAPPPSFQLS GPEEAPAPVL LGDRSDPDLR VDLAATEPVT ERAAEALREL DATA SEQUENCE QAHFDATAVT HRLLPGELAI VDNRVTVHGR TEFTPRYDGT DRWLQRTFVL DATA SEQUENCE TDLRRSRAMR PADGYVLGAA PQP 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.569 174.600 -0.052 0.000 1.055 10 S CA 0.000 58.214 58.200 0.023 0.000 1.107 10 S CB 0.000 63.256 63.200 0.093 0.000 0.593 11 R N 2.674 123.057 120.500 -0.196 0.000 2.328 11 R HA 0.116 4.456 4.340 0.001 0.000 0.200 11 R C -0.330 175.702 176.300 -0.446 0.000 0.983 11 R CA 0.627 56.532 56.100 -0.326 0.000 1.062 11 R CB -0.422 29.635 30.300 -0.404 0.000 0.956 11 R HN 0.635 nan 8.270 nan 0.000 0.479 12 Y N 0.065 120.396 120.300 0.051 0.000 2.507 12 Y HA 0.304 4.854 4.550 0.001 0.000 0.254 12 Y C -0.238 175.664 175.900 0.002 0.000 1.171 12 Y CA -0.999 57.125 58.100 0.040 0.000 1.238 12 Y CB 0.652 39.168 38.460 0.093 0.000 1.148 12 Y HN 0.071 nan 8.280 nan 0.000 0.525 13 D N 0.641 121.091 120.400 0.084 0.000 2.386 13 D HA 0.335 4.975 4.640 0.001 0.000 0.247 13 D C -1.577 174.729 176.300 0.010 0.000 1.336 13 D CA -0.145 53.885 54.000 0.051 0.000 0.976 13 D CB 1.402 42.244 40.800 0.070 0.000 1.257 13 D HN -0.185 nan 8.370 nan 0.000 0.570 14 V N 3.456 123.365 119.914 -0.007 0.000 2.378 14 V HA 0.414 4.535 4.120 0.001 0.000 0.288 14 V C 0.403 176.490 176.094 -0.012 0.000 1.016 14 V CA -0.530 61.761 62.300 -0.015 0.000 0.840 14 V CB 1.684 33.495 31.823 -0.020 0.000 0.994 14 V HN 0.487 nan 8.190 nan 0.000 0.431 15 T N 6.477 121.024 114.554 -0.012 0.000 2.744 15 T HA 0.515 4.866 4.350 0.001 0.000 0.291 15 T C -0.065 174.622 174.700 -0.022 0.000 0.957 15 T CA -0.375 61.715 62.100 -0.016 0.000 1.002 15 T CB 0.854 69.713 68.868 -0.014 0.000 0.919 15 T HN 0.249 nan 8.240 nan 0.000 0.468 16 L N 4.862 126.066 121.223 -0.030 0.000 2.490 16 L HA 0.186 4.526 4.340 0.001 0.000 0.274 16 L C 0.919 177.764 176.870 -0.043 0.000 1.201 16 L CA -0.129 54.685 54.840 -0.043 0.000 0.869 16 L CB -0.003 42.015 42.059 -0.069 0.000 1.123 16 L HN 0.682 nan 8.230 nan 0.000 0.484 17 D N 1.348 121.723 120.400 -0.042 0.000 2.358 17 D HA 0.042 4.682 4.640 0.001 0.000 0.244 17 D C 0.735 177.006 176.300 -0.049 0.000 1.163 17 D CA -0.523 53.454 54.000 -0.039 0.000 0.945 17 D CB 0.534 41.314 40.800 -0.033 0.000 1.152 17 D HN 0.463 nan 8.370 nan 0.000 0.451 18 Q N 0.733 120.508 119.800 -0.042 0.000 2.096 18 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 18 Q C 1.942 177.910 176.000 -0.054 0.000 0.982 18 Q CA 2.340 58.117 55.803 -0.044 0.000 0.850 18 Q CB -0.702 28.016 28.738 -0.034 0.000 0.901 18 Q HN 0.538 nan 8.270 nan 0.000 0.422 19 S N -0.539 115.130 115.700 -0.052 0.000 2.368 19 S HA -0.143 4.327 4.470 0.001 0.000 0.224 19 S C 1.316 175.868 174.600 -0.081 0.000 1.029 19 S CA 1.445 59.610 58.200 -0.058 0.000 0.988 19 S CB -0.418 62.753 63.200 -0.048 0.000 0.838 19 S HN 0.493 nan 8.310 nan 0.000 0.462 20 D N 1.481 121.828 120.400 -0.089 0.000 2.117 20 D HA 0.037 4.678 4.640 0.001 0.000 0.198 20 D C 2.263 178.457 176.300 -0.176 0.000 0.982 20 D CA 1.293 55.218 54.000 -0.126 0.000 0.828 20 D CB -0.738 40.000 40.800 -0.103 0.000 0.967 20 D HN 0.488 nan 8.370 nan 0.000 0.464 21 A N 1.086 123.821 122.820 -0.141 0.000 1.908 21 A HA -0.225 4.096 4.320 0.001 0.000 0.218 21 A C 2.071 179.568 177.584 -0.144 0.000 1.181 21 A CA 1.565 53.511 52.037 -0.152 0.000 0.627 21 A CB -0.538 18.401 19.000 -0.102 0.000 0.818 21 A HN 0.216 nan 8.150 nan 0.000 0.445 22 E N -0.884 119.254 120.200 -0.105 0.000 2.072 22 E HA -0.163 4.187 4.350 0.001 0.000 0.191 22 E C 1.952 178.493 176.600 -0.100 0.000 0.985 22 E CA 1.108 57.462 56.400 -0.077 0.000 0.801 22 E CB -0.240 29.428 29.700 -0.054 0.000 0.750 22 E HN 0.495 nan 8.360 nan 0.000 0.452 23 L N 0.815 121.956 121.223 -0.136 0.000 2.017 23 L HA -0.150 4.190 4.340 0.001 0.000 0.208 23 L C 2.202 178.921 176.870 -0.252 0.000 1.073 23 L CA 1.434 56.177 54.840 -0.161 0.000 0.745 23 L CB -0.421 41.542 42.059 -0.160 0.000 0.894 23 L HN -0.061 nan 8.230 nan 0.000 0.432 24 V N -0.066 119.615 119.914 -0.389 0.000 2.407 24 V HA -0.299 3.821 4.120 0.001 0.000 0.248 24 V C 2.595 178.470 176.094 -0.366 0.000 1.055 24 V CA 1.926 63.860 62.300 -0.609 0.000 1.049 24 V CB -0.721 30.583 31.823 -0.865 0.000 0.662 24 V HN 0.625 nan 8.190 nan 0.000 0.455 25 E N 0.316 120.384 120.200 -0.220 0.000 2.051 25 E HA -0.304 4.047 4.350 0.001 0.000 0.192 25 E C 2.273 178.901 176.600 0.046 0.000 0.991 25 E CA 1.748 58.091 56.400 -0.095 0.000 0.799 25 E CB -0.158 29.551 29.700 0.015 0.000 0.748 25 E HN 0.726 nan 8.360 nan 0.000 0.449 26 E N 0.292 120.516 120.200 0.041 0.000 2.058 26 E HA -0.221 4.129 4.350 0.001 0.000 0.194 26 E C 2.176 178.808 176.600 0.053 0.000 0.997 26 E CA 1.595 58.042 56.400 0.079 0.000 0.801 26 E CB -0.155 29.549 29.700 0.006 0.000 0.746 26 E HN 0.377 nan 8.360 nan 0.000 0.450 27 I N 0.844 121.387 120.570 -0.044 0.000 2.179 27 I HA -0.266 3.905 4.170 0.001 0.000 0.242 27 I C 2.589 178.699 176.117 -0.011 0.000 1.088 27 I CA 1.109 62.387 61.300 -0.038 0.000 1.357 27 I CB -0.326 37.616 38.000 -0.097 0.000 1.051 27 I HN 0.205 nan 8.210 nan 0.000 0.409 28 A N -0.043 122.737 122.820 -0.066 0.000 1.902 28 A HA -0.228 4.092 4.320 0.001 0.000 0.217 28 A C 2.067 179.611 177.584 -0.067 0.000 1.181 28 A CA 1.295 53.277 52.037 -0.091 0.000 0.623 28 A CB -1.138 17.735 19.000 -0.212 0.000 0.818 28 A HN 0.543 nan 8.150 nan 0.000 0.443 29 W N 0.041 121.330 121.300 -0.018 0.000 2.355 29 W HA -0.140 4.520 4.660 0.001 0.000 0.309 29 W C 2.470 178.988 176.519 -0.001 0.000 1.206 29 W CA 1.609 58.952 57.345 -0.004 0.000 1.284 29 W CB 0.044 29.492 29.460 -0.020 0.000 1.145 29 W HN 0.273 nan 8.180 nan 0.000 0.502 30 K N 0.267 120.800 120.400 0.221 0.000 2.026 30 K HA -0.242 4.078 4.320 0.001 0.000 0.208 30 K C 2.026 178.659 176.600 0.055 0.000 1.048 30 K CA 1.606 57.961 56.287 0.113 0.000 0.929 30 K CB -0.587 31.947 32.500 0.057 0.000 0.713 30 K HN 0.061 nan 8.250 nan 0.000 0.439 31 L N 1.134 122.357 121.223 -0.000 0.000 1.989 31 L HA -0.126 4.215 4.340 0.001 0.000 0.211 31 L C 2.232 179.071 176.870 -0.052 0.000 1.071 31 L CA 2.261 57.018 54.840 -0.140 0.000 0.749 31 L CB -0.895 41.033 42.059 -0.218 0.000 0.890 31 L HN 0.228 nan 8.230 nan 0.000 0.431 32 A N -1.553 121.345 122.820 0.130 0.000 1.972 32 A HA -0.187 4.133 4.320 0.001 0.000 0.219 32 A C 2.280 180.045 177.584 0.302 0.000 1.169 32 A CA 2.335 54.563 52.037 0.318 0.000 0.635 32 A CB -1.120 17.999 19.000 0.198 0.000 0.810 32 A HN 0.647 nan 8.150 nan 0.000 0.446 33 T N -3.773 110.929 114.554 0.246 0.000 3.039 33 T HA 0.064 4.414 4.350 0.001 0.000 0.250 33 T C 1.757 176.541 174.700 0.141 0.000 1.052 33 T CA 0.960 63.185 62.100 0.209 0.000 1.125 33 T CB -0.070 68.920 68.868 0.203 0.000 0.908 33 T HN 0.534 nan 8.240 nan 0.000 0.473 34 Q N 0.808 120.668 119.800 0.100 0.000 2.396 34 Q HA 0.486 4.827 4.340 0.001 0.000 0.220 34 Q C 1.060 177.080 176.000 0.033 0.000 0.900 34 Q CA 0.096 55.933 55.803 0.056 0.000 0.925 34 Q CB 0.326 29.083 28.738 0.031 0.000 1.065 34 Q HN 0.601 nan 8.270 nan 0.000 0.535 35 A N 2.287 125.098 122.820 -0.015 0.000 2.511 35 A HA 0.208 4.528 4.320 0.001 0.000 0.242 35 A C 0.549 178.174 177.584 0.068 0.000 1.069 35 A CA -0.042 51.937 52.037 -0.097 0.000 0.763 35 A CB 0.014 18.732 19.000 -0.470 0.000 1.001 35 A HN 0.279 nan 8.150 nan 0.000 0.498 36 T N 0.805 115.401 114.554 0.071 0.000 2.899 36 T HA 0.587 4.937 4.350 0.001 0.000 0.295 36 T C 0.839 175.694 174.700 0.257 0.000 1.033 36 T CA 0.413 62.596 62.100 0.139 0.000 1.084 36 T CB 0.842 69.762 68.868 0.087 0.000 0.979 36 T HN 2.618 nan 8.240 nan 0.000 0.532 37 G N 1.997 110.936 108.800 0.232 0.000 2.632 37 G HA2 -0.087 3.874 3.960 0.001 0.000 0.224 37 G HA3 -0.087 3.874 3.960 0.001 0.000 0.224 37 G C -0.703 174.341 174.900 0.241 0.000 1.341 37 G CA -0.464 44.774 45.100 0.230 0.000 0.880 37 G HN 0.987 nan 8.290 nan 0.000 0.566 38 R N -0.088 120.423 120.500 0.018 0.000 2.837 38 R HA 0.491 4.832 4.340 0.001 0.000 0.271 38 R C -1.906 173.976 176.300 -0.697 0.000 0.993 38 R CA -1.522 54.326 56.100 -0.419 0.000 0.931 38 R CB 2.034 32.191 30.300 -0.238 0.000 1.206 38 R HN 0.283 nan 8.270 nan 0.000 0.474 39 P HA -0.254 nan 4.420 nan 0.000 0.219 39 P C 0.168 177.289 177.300 -0.299 0.000 1.153 39 P CA 1.555 64.076 63.100 -0.964 0.000 0.865 39 P CB 0.194 31.386 31.700 -0.847 0.000 0.788 40 D N -1.479 118.791 120.400 -0.216 0.000 2.347 40 D HA -0.024 4.616 4.640 0.001 0.000 0.213 40 D C 0.055 176.360 176.300 0.008 0.000 0.985 40 D CA 0.709 54.659 54.000 -0.084 0.000 0.879 40 D CB -0.185 40.577 40.800 -0.064 0.000 0.919 40 D HN 0.260 nan 8.370 nan 0.000 0.526 41 D N 0.321 120.740 120.400 0.032 0.000 2.350 41 D HA 0.186 4.826 4.640 0.001 0.000 0.249 41 D C 1.215 177.619 176.300 0.173 0.000 1.119 41 D CA -0.162 53.903 54.000 0.108 0.000 0.886 41 D CB 1.611 42.481 40.800 0.118 0.000 1.195 41 D HN -0.107 nan 8.370 nan 0.000 0.437 42 A N 3.002 125.943 122.820 0.202 0.000 1.948 42 A HA -0.268 4.052 4.320 0.001 0.000 0.220 42 A C 1.827 179.535 177.584 0.205 0.000 1.177 42 A CA 1.933 54.132 52.037 0.269 0.000 0.636 42 A CB -0.645 18.491 19.000 0.227 0.000 0.815 42 A HN 0.780 nan 8.150 nan 0.000 0.449 43 E N -2.376 117.927 120.200 0.171 0.000 2.204 43 E HA -0.248 4.102 4.350 0.001 0.000 0.194 43 E C 1.877 178.566 176.600 0.148 0.000 0.989 43 E CA 1.141 57.623 56.400 0.138 0.000 0.824 43 E CB -0.418 29.352 29.700 0.116 0.000 0.756 43 E HN 0.804 nan 8.360 nan 0.000 0.477 44 W N 1.398 122.710 121.300 0.019 0.000 2.443 44 W HA -0.036 4.625 4.660 0.001 0.000 0.296 44 W C 2.190 178.693 176.519 -0.026 0.000 1.202 44 W CA 1.126 58.471 57.345 -0.000 0.000 1.312 44 W CB 0.052 29.506 29.460 -0.011 0.000 1.120 44 W HN -0.131 nan 8.180 nan 0.000 0.536 45 V N 0.291 120.345 119.914 0.234 0.000 2.407 45 V HA -0.326 3.795 4.120 0.001 0.000 0.248 45 V C 2.078 178.186 176.094 0.023 0.000 1.055 45 V CA 2.331 64.656 62.300 0.042 0.000 1.049 45 V CB -0.971 30.693 31.823 -0.264 0.000 0.662 45 V HN 0.255 nan 8.190 nan 0.000 0.455 46 E N 0.465 120.705 120.200 0.066 0.000 2.058 46 E HA -0.253 4.097 4.350 0.001 0.000 0.194 46 E C 2.250 178.847 176.600 -0.005 0.000 0.997 46 E CA 1.486 57.919 56.400 0.054 0.000 0.801 46 E CB -0.249 29.493 29.700 0.069 0.000 0.746 46 E HN 0.562 nan 8.360 nan 0.000 0.450 47 A N 1.145 123.917 122.820 -0.080 0.000 1.902 47 A HA -0.130 4.190 4.320 0.001 0.000 0.217 47 A C 2.394 179.872 177.584 -0.178 0.000 1.181 47 A CA 1.907 53.842 52.037 -0.171 0.000 0.623 47 A CB -0.796 17.998 19.000 -0.344 0.000 0.818 47 A HN 0.433 nan 8.150 nan 0.000 0.443 48 A N -0.374 122.322 122.820 -0.206 0.000 1.902 48 A HA -0.161 4.160 4.320 0.001 0.000 0.217 48 A C 2.243 179.831 177.584 0.008 0.000 1.181 48 A CA 1.739 53.706 52.037 -0.116 0.000 0.623 48 A CB -0.500 18.468 19.000 -0.055 0.000 0.818 48 A HN 0.566 nan 8.150 nan 0.000 0.443 49 R N -0.017 120.494 120.500 0.019 0.000 2.081 49 R HA -0.170 4.170 4.340 0.001 0.000 0.235 49 R C 1.911 178.331 176.300 0.200 0.000 1.131 49 R CA 2.005 58.156 56.100 0.085 0.000 0.960 49 R CB -0.432 29.920 30.300 0.086 0.000 0.856 49 R HN 0.724 nan 8.270 nan 0.000 0.436 50 N N -0.265 118.517 118.700 0.137 0.000 2.142 50 N HA -0.126 4.615 4.740 0.001 0.000 0.186 50 N C 1.748 177.350 175.510 0.154 0.000 1.023 50 N CA 1.065 54.207 53.050 0.152 0.000 0.852 50 N CB -0.124 38.403 38.487 0.066 0.000 0.998 50 N HN 0.279 nan 8.380 nan 0.000 0.424 51 A N 1.372 124.254 122.820 0.102 0.000 1.933 51 A HA -0.191 4.129 4.320 0.001 0.000 0.218 51 A C 1.860 179.575 177.584 0.218 0.000 1.175 51 A CA 0.947 53.059 52.037 0.125 0.000 0.628 51 A CB -1.063 17.981 19.000 0.073 0.000 0.814 51 A HN 0.657 nan 8.150 nan 0.000 0.444 52 W N 0.591 121.860 121.300 -0.051 0.000 2.321 52 W HA -0.230 4.431 4.660 0.001 0.000 0.306 52 W C 1.508 177.854 176.519 -0.288 0.000 1.217 52 W CA 2.028 59.157 57.345 -0.361 0.000 1.257 52 W CB -0.551 28.566 29.460 -0.571 0.000 1.145 52 W HN 0.549 nan 8.180 nan 0.000 0.509 53 H N 0.315 119.336 119.070 -0.081 0.000 2.563 53 H HA 0.053 4.610 4.556 0.001 0.000 0.272 53 H C 2.145 177.412 175.328 -0.102 0.000 1.005 53 H CA 1.218 57.176 56.048 -0.151 0.000 1.171 53 H CB -0.374 29.392 29.762 0.006 0.000 1.351 53 H HN 0.242 nan 8.280 nan 0.000 0.602 54 A N 0.077 122.928 122.820 0.051 0.000 2.178 54 A HA -0.003 4.317 4.320 0.001 0.000 0.211 54 A C 0.344 177.949 177.584 0.035 0.000 1.157 54 A CA -0.379 51.686 52.037 0.046 0.000 0.780 54 A CB -0.268 18.766 19.000 0.057 0.000 0.828 54 A HN 0.136 nan 8.150 nan 0.000 0.476 55 W N 0.775 121.862 121.300 -0.354 0.000 2.160 55 W HA 0.302 4.962 4.660 0.001 0.000 0.352 55 W C -2.276 174.056 176.519 -0.310 0.000 1.288 55 W CA -1.509 55.602 57.345 -0.390 0.000 1.279 55 W CB -0.394 28.650 29.460 -0.694 0.000 1.181 55 W HN 0.044 nan 8.180 nan 0.000 0.593 56 P HA 0.012 nan 4.420 nan 0.000 0.265 56 P C 0.295 177.569 177.300 -0.045 0.000 1.193 56 P CA 0.595 63.664 63.100 -0.052 0.000 0.765 56 P CB 0.521 32.181 31.700 -0.066 0.000 0.823 57 A N 3.117 125.911 122.820 -0.044 0.000 1.978 57 A HA -0.210 4.110 4.320 0.001 0.000 0.220 57 A C 2.296 179.867 177.584 -0.021 0.000 1.170 57 A CA 2.431 54.446 52.037 -0.038 0.000 0.636 57 A CB -1.758 17.230 19.000 -0.020 0.000 0.810 57 A HN 0.545 nan 8.150 nan 0.000 0.448 58 T N -0.426 114.120 114.554 -0.014 0.000 2.720 58 T HA -0.132 4.219 4.350 0.001 0.000 0.268 58 T C 1.775 176.484 174.700 0.017 0.000 1.037 58 T CA 1.775 63.874 62.100 -0.002 0.000 1.144 58 T CB -0.417 68.446 68.868 -0.009 0.000 0.864 58 T HN 0.396 nan 8.240 nan 0.000 0.444 59 L N -0.143 121.100 121.223 0.033 0.000 2.072 59 L HA 0.044 4.384 4.340 0.001 0.000 0.205 59 L C 3.105 180.024 176.870 0.081 0.000 1.079 59 L CA 1.225 56.124 54.840 0.099 0.000 0.752 59 L CB -0.453 41.745 42.059 0.231 0.000 0.906 59 L HN 0.178 nan 8.230 nan 0.000 0.436 60 R N -0.047 120.431 120.500 -0.036 0.000 2.096 60 R HA -0.143 4.197 4.340 0.001 0.000 0.235 60 R C 2.430 178.783 176.300 0.089 0.000 1.127 60 R CA 1.250 57.335 56.100 -0.025 0.000 0.968 60 R CB -0.258 29.927 30.300 -0.193 0.000 0.861 60 R HN 0.353 nan 8.270 nan 0.000 0.440 61 R N 0.359 120.888 120.500 0.049 0.000 2.075 61 R HA -0.097 4.244 4.340 0.001 0.000 0.232 61 R C 1.726 178.062 176.300 0.061 0.000 1.126 61 R CA 1.409 57.541 56.100 0.053 0.000 0.963 61 R CB -0.159 30.159 30.300 0.029 0.000 0.858 61 R HN 0.216 nan 8.270 nan 0.000 0.435 62 D N 0.586 121.020 120.400 0.056 0.000 2.097 62 D HA -0.149 4.492 4.640 0.001 0.000 0.195 62 D C 1.898 178.252 176.300 0.091 0.000 0.989 62 D CA 0.944 54.974 54.000 0.049 0.000 0.827 62 D CB -0.066 40.753 40.800 0.032 0.000 0.966 62 D HN 0.049 nan 8.370 nan 0.000 0.456 63 L N 0.814 122.107 121.223 0.116 0.000 2.056 63 L HA -0.050 4.290 4.340 0.001 0.000 0.207 63 L C 2.469 179.416 176.870 0.128 0.000 1.078 63 L CA 1.077 55.987 54.840 0.118 0.000 0.749 63 L CB -1.376 40.760 42.059 0.128 0.000 0.901 63 L HN -0.056 nan 8.230 nan 0.000 0.433 64 A N -0.130 122.764 122.820 0.123 0.000 1.933 64 A HA -0.115 4.205 4.320 0.001 0.000 0.218 64 A C 2.416 180.059 177.584 0.098 0.000 1.175 64 A CA 1.664 53.761 52.037 0.101 0.000 0.628 64 A CB -1.019 18.041 19.000 0.101 0.000 0.814 64 A HN 0.437 nan 8.150 nan 0.000 0.444 65 G N -1.335 107.529 108.800 0.107 0.000 2.402 65 G HA2 -0.194 3.766 3.960 0.001 0.000 0.216 65 G HA3 -0.194 3.766 3.960 0.001 0.000 0.216 65 G C 1.452 176.451 174.900 0.164 0.000 1.162 65 G CA 1.095 46.257 45.100 0.103 0.000 0.777 65 G HN 0.495 nan 8.290 nan 0.000 0.539 66 F N 1.445 121.431 119.950 0.059 0.000 2.134 66 F HA 0.027 4.555 4.527 0.001 0.000 0.299 66 F C 2.651 178.511 175.800 0.100 0.000 1.097 66 F CA 1.713 59.785 58.000 0.119 0.000 1.264 66 F CB -0.174 38.861 39.000 0.058 0.000 1.001 66 F HN 0.057 nan 8.300 nan 0.000 0.479 67 R N 0.013 120.528 120.500 0.025 0.000 2.091 67 R HA -0.230 4.110 4.340 0.001 0.000 0.238 67 R C 2.418 178.733 176.300 0.025 0.000 1.136 67 R CA 1.690 57.796 56.100 0.010 0.000 0.959 67 R CB -0.301 30.029 30.300 0.050 0.000 0.856 67 R HN 0.173 nan 8.270 nan 0.000 0.437 68 R N 0.596 121.114 120.500 0.029 0.000 2.090 68 R HA -0.056 4.284 4.340 0.001 0.000 0.228 68 R C -0.490 175.814 176.300 0.008 0.000 1.110 68 R CA 1.696 57.813 56.100 0.029 0.000 0.973 68 R CB 0.003 30.330 30.300 0.045 0.000 0.869 68 R HN 0.133 nan 8.270 nan 0.000 0.440 69 D N -1.357 119.045 120.400 0.004 0.000 2.470 69 D HA 0.082 4.722 4.640 0.001 0.000 0.233 69 D C -0.486 175.812 176.300 -0.003 0.000 1.372 69 D CA -0.006 54.001 54.000 0.012 0.000 0.994 69 D CB 1.488 42.337 40.800 0.082 0.000 1.377 69 D HN 0.103 nan 8.370 nan 0.000 0.586 70 S N 1.658 117.242 115.700 -0.194 0.000 2.603 70 S HA 0.457 4.928 4.470 0.001 0.000 0.220 70 S C 1.234 175.693 174.600 -0.235 0.000 0.967 70 S CA 0.370 58.341 58.200 -0.382 0.000 0.920 70 S CB -0.321 62.538 63.200 -0.568 0.000 0.773 70 S HN 1.022 nan 8.310 nan 0.000 0.529 71 G N 2.409 111.109 108.800 -0.167 0.000 2.828 71 G HA2 -0.158 3.802 3.960 0.001 0.000 0.463 71 G HA3 -0.158 3.802 3.960 0.001 0.000 0.463 71 G C -1.962 172.796 174.900 -0.236 0.000 1.394 71 G CA -0.366 44.546 45.100 -0.314 0.000 0.862 71 G HN 0.231 nan 8.290 nan 0.000 0.540 72 P HA 0.078 nan 4.420 nan 0.000 0.223 72 P C 0.676 177.924 177.300 -0.088 0.000 1.151 72 P CA 1.629 64.676 63.100 -0.088 0.000 0.787 72 P CB 0.150 31.829 31.700 -0.034 0.000 0.788 73 D N -1.216 119.104 120.400 -0.134 0.000 2.369 73 D HA 0.121 4.762 4.640 0.001 0.000 0.211 73 D C 1.202 177.484 176.300 -0.031 0.000 1.077 73 D CA 0.465 54.428 54.000 -0.061 0.000 0.842 73 D CB -0.000 40.785 40.800 -0.025 0.000 0.947 73 D HN 0.108 nan 8.370 nan 0.000 0.509 74 G N 1.345 110.106 108.800 -0.064 0.000 2.305 74 G HA2 -0.052 3.908 3.960 0.001 0.000 0.287 74 G HA3 -0.052 3.908 3.960 0.001 0.000 0.287 74 G C 0.204 175.233 174.900 0.214 0.000 1.036 74 G CA 0.491 45.605 45.100 0.024 0.000 0.887 74 G HN 0.645 nan 8.290 nan 0.000 0.505 75 A N -1.109 121.889 122.820 0.296 0.000 2.605 75 A HA 0.852 5.173 4.320 0.001 0.000 0.294 75 A C -0.899 176.762 177.584 0.128 0.000 1.062 75 A CA 0.006 52.206 52.037 0.271 0.000 0.682 75 A CB 1.555 20.627 19.000 0.120 0.000 1.278 75 A HN 1.619 nan 8.150 nan 0.000 0.410 76 I N 0.915 121.340 120.570 -0.241 0.000 2.769 76 I HA 0.732 4.902 4.170 0.001 0.000 0.298 76 I C -1.620 174.360 176.117 -0.230 0.000 1.128 76 I CA -0.961 60.178 61.300 -0.268 0.000 1.031 76 I CB 2.194 39.779 38.000 -0.693 0.000 1.235 76 I HN 0.477 nan 8.210 nan 0.000 0.423 77 V N 7.168 127.016 119.914 -0.110 0.000 2.540 77 V HA 0.494 4.614 4.120 0.001 0.000 0.302 77 V C -0.638 175.414 176.094 -0.070 0.000 1.035 77 V CA -0.528 61.712 62.300 -0.100 0.000 0.873 77 V CB 1.645 33.441 31.823 -0.046 0.000 0.992 77 V HN 0.452 nan 8.190 nan 0.000 0.428 78 L N 5.648 126.828 121.223 -0.071 0.000 2.329 78 L HA 0.704 5.045 4.340 0.001 0.000 0.279 78 L C 0.069 176.922 176.870 -0.028 0.000 1.014 78 L CA -0.325 54.494 54.840 -0.035 0.000 0.814 78 L CB 1.687 43.743 42.059 -0.006 0.000 1.257 78 L HN 0.536 nan 8.230 nan 0.000 0.424 79 R N 1.355 121.841 120.500 -0.023 0.000 2.686 79 R HA 0.713 5.054 4.340 0.001 0.000 0.286 79 R C 0.284 176.563 176.300 -0.035 0.000 0.969 79 R CA -0.502 55.582 56.100 -0.028 0.000 0.898 79 R CB 1.916 32.204 30.300 -0.020 0.000 1.183 79 R HN 0.825 nan 8.270 nan 0.000 0.456 80 G N 1.661 110.434 108.800 -0.044 0.000 2.138 80 G HA2 -0.203 3.757 3.960 0.001 0.000 0.193 80 G HA3 -0.203 3.757 3.960 0.001 0.000 0.193 80 G C -0.112 174.740 174.900 -0.080 0.000 0.998 80 G CA -0.572 44.494 45.100 -0.056 0.000 0.668 80 G HN 0.358 nan 8.290 nan 0.000 0.516 81 L N 1.693 122.868 121.223 -0.080 0.000 2.453 81 L HA 0.456 4.797 4.340 0.001 0.000 0.261 81 L C -1.290 175.507 176.870 -0.121 0.000 1.179 81 L CA -1.932 52.843 54.840 -0.108 0.000 0.813 81 L CB 0.581 42.601 42.059 -0.065 0.000 1.110 81 L HN -0.004 nan 8.230 nan 0.000 0.466 82 P HA 0.170 nan 4.420 nan 0.000 0.282 82 P C -1.151 176.030 177.300 -0.199 0.000 1.262 82 P CA -0.147 62.850 63.100 -0.172 0.000 0.773 82 P CB 1.165 32.724 31.700 -0.235 0.000 0.879 83 V N -0.352 119.465 119.914 -0.162 0.000 2.789 83 V HA 0.448 4.568 4.120 0.001 0.000 0.311 83 V C -0.281 175.740 176.094 -0.120 0.000 1.073 83 V CA -0.968 61.221 62.300 -0.184 0.000 0.921 83 V CB 2.158 33.875 31.823 -0.176 0.000 1.009 83 V HN 0.280 nan 8.190 nan 0.000 0.426 84 D N 2.747 123.073 120.400 -0.123 0.000 2.608 84 D HA 0.296 4.937 4.640 0.001 0.000 0.224 84 D C 1.278 177.581 176.300 0.006 0.000 1.123 84 D CA 0.607 54.615 54.000 0.015 0.000 1.030 84 D CB 0.502 41.353 40.800 0.084 0.000 1.093 84 D HN 0.649 nan 8.370 nan 0.000 0.497 85 S N 2.089 117.788 115.700 -0.001 0.000 2.368 85 S HA -0.213 4.257 4.470 0.001 0.000 0.225 85 S C 2.038 176.658 174.600 0.033 0.000 1.030 85 S CA 1.296 59.496 58.200 0.001 0.000 0.999 85 S CB -0.197 63.002 63.200 -0.001 0.000 0.844 85 S HN 0.725 nan 8.310 nan 0.000 0.459 86 M N 0.559 120.187 119.600 0.047 0.000 2.374 86 M HA 0.113 4.593 4.480 0.001 0.000 0.264 86 M C 1.897 178.236 176.300 0.064 0.000 1.067 86 M CA 1.691 57.022 55.300 0.052 0.000 1.103 86 M CB -0.740 31.890 32.600 0.049 0.000 1.402 86 M HN 0.255 nan 8.290 nan 0.000 0.444 87 G N 1.280 110.129 108.800 0.081 0.000 2.986 87 G HA2 0.295 4.255 3.960 0.001 0.000 0.213 87 G HA3 0.295 4.255 3.960 0.001 0.000 0.213 87 G C 0.657 175.610 174.900 0.089 0.000 1.156 87 G CA -0.457 44.699 45.100 0.093 0.000 0.763 87 G HN 0.277 nan 8.290 nan 0.000 0.547 88 L N 2.579 123.847 121.223 0.075 0.000 2.513 88 L HA 0.180 4.521 4.340 0.001 0.000 0.272 88 L C -1.265 175.713 176.870 0.180 0.000 1.187 88 L CA -1.244 53.658 54.840 0.104 0.000 0.895 88 L CB 0.816 42.917 42.059 0.070 0.000 1.147 88 L HN 0.114 nan 8.230 nan 0.000 0.483 89 P HA 0.316 nan 4.420 nan 0.000 0.279 89 P C -2.623 174.813 177.300 0.227 0.000 1.282 89 P CA -1.529 61.695 63.100 0.206 0.000 0.788 89 P CB -0.441 31.373 31.700 0.189 0.000 1.139 90 P HA 0.055 nan 4.420 nan 0.000 0.267 90 P C -0.238 177.002 177.300 -0.099 0.000 1.200 90 P CA 0.404 63.529 63.100 0.043 0.000 0.772 90 P CB -0.312 31.390 31.700 0.004 0.000 0.855 91 T N 4.846 119.312 114.554 -0.148 0.000 2.871 91 T HA 0.102 4.452 4.350 0.001 0.000 0.296 91 T C -2.008 172.365 174.700 -0.545 0.000 0.998 91 T CA -0.448 61.335 62.100 -0.528 0.000 1.162 91 T CB -0.688 68.045 68.868 -0.224 0.000 0.947 91 T HN 0.324 nan 8.240 nan 0.000 0.536 92 P HA 0.178 nan 4.420 nan 0.000 0.268 92 P C 0.346 177.483 177.300 -0.271 0.000 1.208 92 P CA -0.106 62.724 63.100 -0.450 0.000 0.777 92 P CB 0.516 31.938 31.700 -0.464 0.000 0.875 93 R N 0.786 121.194 120.500 -0.153 0.000 2.629 93 R HA 0.226 4.566 4.340 0.001 0.000 0.408 93 R C -0.458 175.795 176.300 -0.079 0.000 1.057 93 R CA -0.146 55.908 56.100 -0.076 0.000 1.119 93 R CB 0.507 30.783 30.300 -0.040 0.000 1.403 93 R HN 0.365 nan 8.270 nan 0.000 0.576 94 V N -2.310 117.550 119.914 -0.089 0.000 2.628 94 V HA 0.435 4.556 4.120 0.001 0.000 0.306 94 V C -0.026 176.026 176.094 -0.068 0.000 1.045 94 V CA -1.201 61.051 62.300 -0.079 0.000 0.905 94 V CB 1.860 33.640 31.823 -0.072 0.000 0.997 94 V HN 0.109 nan 8.190 nan 0.000 0.436 95 N N 1.958 120.613 118.700 -0.075 0.000 2.492 95 N HA 0.265 5.005 4.740 0.001 0.000 0.260 95 N C 1.240 176.723 175.510 -0.045 0.000 1.215 95 N CA 1.396 54.404 53.050 -0.069 0.000 0.923 95 N CB 1.168 39.581 38.487 -0.122 0.000 1.092 95 N HN 1.609 nan 8.380 nan 0.000 0.448 96 G N 1.296 110.087 108.800 -0.016 0.000 2.159 96 G HA2 -0.279 3.682 3.960 0.001 0.000 0.256 96 G HA3 -0.279 3.682 3.960 0.001 0.000 0.256 96 G C 0.208 175.106 174.900 -0.002 0.000 0.977 96 G CA 0.481 45.581 45.100 -0.001 0.000 0.652 96 G HN 0.703 nan 8.290 nan 0.000 0.531 97 S N 0.040 115.733 115.700 -0.011 0.000 2.544 97 S HA 0.491 4.961 4.470 0.001 0.000 0.290 97 S C 0.603 175.216 174.600 0.022 0.000 1.276 97 S CA 0.531 58.724 58.200 -0.011 0.000 1.075 97 S CB 0.491 63.662 63.200 -0.048 0.000 0.849 97 S HN 1.786 nan 8.310 nan 0.000 0.494 98 V N 2.994 122.921 119.914 0.022 0.000 3.130 98 V HA 0.661 4.781 4.120 0.001 0.000 0.310 98 V C -0.824 175.284 176.094 0.023 0.000 1.158 98 V CA -1.193 61.121 62.300 0.024 0.000 1.029 98 V CB 1.910 33.734 31.823 0.002 0.000 1.057 98 V HN 0.645 nan 8.190 nan 0.000 0.436 99 Q N 1.583 121.384 119.800 0.003 0.000 2.503 99 Q HA 0.458 4.798 4.340 0.001 0.000 0.227 99 Q C 0.637 176.580 176.000 -0.095 0.000 1.109 99 Q CA -0.056 55.732 55.803 -0.025 0.000 0.922 99 Q CB 0.858 29.574 28.738 -0.037 0.000 1.249 99 Q HN 0.665 nan 8.270 nan 0.000 0.530 100 R N 1.316 121.766 120.500 -0.082 0.000 2.173 100 R HA 0.136 4.476 4.340 0.001 0.000 0.208 100 R C -0.132 176.066 176.300 -0.171 0.000 1.035 100 R CA 0.429 56.458 56.100 -0.118 0.000 1.004 100 R CB 0.422 30.679 30.300 -0.072 0.000 0.917 100 R HN 0.496 nan 8.270 nan 0.000 0.462 101 E N 0.745 120.863 120.200 -0.138 0.000 2.283 101 E HA 0.359 4.709 4.350 0.001 0.000 0.271 101 E C -0.489 175.982 176.600 -0.215 0.000 1.031 101 E CA -0.533 55.783 56.400 -0.141 0.000 0.868 101 E CB 1.403 31.072 29.700 -0.052 0.000 1.094 101 E HN 0.046 nan 8.360 nan 0.000 0.401 102 A N 1.986 124.677 122.820 -0.215 0.000 2.565 102 A HA 0.291 4.612 4.320 0.001 0.000 0.237 102 A C 0.289 177.863 177.584 -0.017 0.000 1.053 102 A CA 0.484 52.431 52.037 -0.151 0.000 0.755 102 A CB -0.180 18.923 19.000 0.171 0.000 0.980 102 A HN 0.609 nan 8.150 nan 0.000 0.506 103 S N 1.458 117.155 115.700 -0.004 0.000 2.588 103 S HA 0.494 4.965 4.470 0.001 0.000 0.269 103 S C 0.260 174.817 174.600 -0.072 0.000 1.157 103 S CA -0.634 57.545 58.200 -0.034 0.000 0.824 103 S CB 0.457 63.608 63.200 -0.083 0.000 1.126 103 S HN 0.506 nan 8.310 nan 0.000 0.464 104 L N 2.005 123.073 121.223 -0.260 0.000 2.043 104 L HA 0.101 4.441 4.340 0.001 0.000 0.212 104 L C 2.646 179.388 176.870 -0.213 0.000 1.075 104 L CA 2.771 57.383 54.840 -0.381 0.000 0.752 104 L CB -1.475 40.194 42.059 -0.649 0.000 0.891 104 L HN 1.058 nan 8.230 nan 0.000 0.432 105 G N -1.657 107.022 108.800 -0.202 0.000 2.418 105 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 105 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 105 G C 1.659 176.509 174.900 -0.084 0.000 1.158 105 G CA 0.854 45.854 45.100 -0.166 0.000 0.771 105 G HN 0.544 nan 8.290 nan 0.000 0.545 106 A N 1.134 123.914 122.820 -0.065 0.000 1.933 106 A HA 0.292 4.612 4.320 0.001 0.000 0.218 106 A C 2.817 180.503 177.584 0.170 0.000 1.175 106 A CA 2.184 54.206 52.037 -0.025 0.000 0.628 106 A CB -0.777 18.119 19.000 -0.174 0.000 0.814 106 A HN 0.762 nan 8.150 nan 0.000 0.444 107 A N -0.419 122.562 122.820 0.269 0.000 1.865 107 A HA -0.052 4.269 4.320 0.001 0.000 0.217 107 A C 2.248 179.947 177.584 0.193 0.000 1.191 107 A CA 1.941 54.156 52.037 0.298 0.000 0.623 107 A CB -1.118 17.977 19.000 0.158 0.000 0.826 107 A HN 0.409 nan 8.150 nan 0.000 0.444 108 V N 0.007 119.994 119.914 0.122 0.000 2.255 108 V HA -0.289 3.832 4.120 0.001 0.000 0.247 108 V C 2.613 178.800 176.094 0.155 0.000 1.051 108 V CA 2.154 64.566 62.300 0.185 0.000 1.018 108 V CB -0.799 31.069 31.823 0.076 0.000 0.641 108 V HN 0.563 nan 8.190 nan 0.000 0.445 109 L N -0.934 120.324 121.223 0.059 0.000 2.017 109 L HA -0.168 4.173 4.340 0.001 0.000 0.208 109 L C 2.368 179.225 176.870 -0.021 0.000 1.073 109 L CA 1.533 56.372 54.840 -0.002 0.000 0.745 109 L CB -0.429 41.606 42.059 -0.039 0.000 0.894 109 L HN 0.293 nan 8.230 nan 0.000 0.432 110 L N -1.332 119.912 121.223 0.035 0.000 2.156 110 L HA -0.182 4.159 4.340 0.001 0.000 0.208 110 L C 2.601 179.445 176.870 -0.044 0.000 1.095 110 L CA 0.976 55.823 54.840 0.012 0.000 0.770 110 L CB -0.342 41.802 42.059 0.143 0.000 0.914 110 L HN 0.330 nan 8.230 nan 0.000 0.439 111 M N -0.649 118.966 119.600 0.025 0.000 2.067 111 M HA -0.182 4.299 4.480 0.001 0.000 0.260 111 M C 2.318 178.402 176.300 -0.361 0.000 1.069 111 M CA 2.045 57.343 55.300 -0.003 0.000 1.117 111 M CB -0.672 32.101 32.600 0.289 0.000 1.334 111 M HN 0.201 nan 8.290 nan 0.000 0.407 112 T N 0.856 115.195 114.554 -0.359 0.000 2.788 112 T HA -0.110 4.240 4.350 0.001 0.000 0.268 112 T C 1.879 176.159 174.700 -0.701 0.000 1.044 112 T CA 1.462 63.135 62.100 -0.712 0.000 1.139 112 T CB -0.411 68.266 68.868 -0.320 0.000 0.867 112 T HN 0.494 nan 8.240 nan 0.000 0.454 113 A N 0.799 123.381 122.820 -0.396 0.000 1.883 113 A HA -0.152 4.169 4.320 0.001 0.000 0.217 113 A C 2.679 180.049 177.584 -0.357 0.000 1.186 113 A CA 1.627 53.493 52.037 -0.285 0.000 0.624 113 A CB -1.343 17.565 19.000 -0.153 0.000 0.822 113 A HN 0.637 nan 8.150 nan 0.000 0.444 114 C N -0.948 118.106 119.300 -0.411 0.000 2.432 114 C HA 0.058 4.518 4.460 0.001 0.000 0.280 114 C C 2.880 177.467 174.990 -0.672 0.000 1.353 114 C CA 0.367 59.153 59.018 -0.387 0.000 1.766 114 C CB -1.608 25.978 27.740 -0.257 0.000 1.924 114 C HN 0.725 nan 8.230 nan 0.000 0.509 115 G N 0.074 108.051 108.800 -1.372 0.000 2.403 115 G HA2 -0.088 3.873 3.960 0.001 0.000 0.216 115 G HA3 -0.088 3.873 3.960 0.001 0.000 0.216 115 G C 1.519 175.973 174.900 -0.744 0.000 1.154 115 G CA 0.423 44.457 45.100 -1.777 0.000 0.784 115 G HN 0.519 nan 8.290 nan 0.000 0.538 116 L N -0.477 120.388 121.223 -0.598 0.000 2.375 116 L HA 0.333 4.673 4.340 0.001 0.000 0.215 116 L C 1.779 178.596 176.870 -0.090 0.000 1.108 116 L CA 0.679 55.344 54.840 -0.293 0.000 0.830 116 L CB 0.214 42.069 42.059 -0.340 0.000 0.959 116 L HN 0.453 nan 8.230 nan 0.000 0.457 117 G N -1.626 107.102 108.800 -0.119 0.000 2.528 117 G HA2 0.056 4.016 3.960 0.001 0.000 0.078 117 G HA3 0.056 4.016 3.960 0.001 0.000 0.078 117 G C -1.575 173.306 174.900 -0.031 0.000 1.008 117 G CA -0.447 44.642 45.100 -0.019 0.000 1.309 117 G HN -0.000 nan 8.290 nan 0.000 0.564 118 D N 1.150 121.562 120.400 0.019 0.000 2.661 118 D HA 0.486 5.127 4.640 0.001 0.000 0.228 118 D C -2.762 173.570 176.300 0.053 0.000 1.183 118 D CA -0.797 53.235 54.000 0.053 0.000 0.844 118 D CB 3.216 44.114 40.800 0.164 0.000 1.555 118 D HN 0.158 nan 8.370 nan 0.000 0.453 119 P HA 0.356 nan 4.420 nan 0.000 0.274 119 P C -0.377 176.975 177.300 0.087 0.000 1.237 119 P CA -0.113 62.982 63.100 -0.008 0.000 0.793 119 P CB 1.201 32.819 31.700 -0.136 0.000 0.977 120 G N -0.771 108.080 108.800 0.084 0.000 2.677 120 G HA2 0.669 4.630 3.960 0.001 0.000 0.291 120 G HA3 0.669 4.630 3.960 0.001 0.000 0.291 120 G C -1.996 172.928 174.900 0.040 0.000 1.435 120 G CA -0.360 44.768 45.100 0.046 0.000 0.826 120 G HN 0.644 nan 8.290 nan 0.000 0.491 121 A N -0.533 122.223 122.820 -0.107 0.000 2.602 121 A HA 0.869 5.189 4.320 0.001 0.000 0.290 121 A C -1.999 175.403 177.584 -0.304 0.000 1.114 121 A CA -0.762 51.261 52.037 -0.022 0.000 0.683 121 A CB 1.090 20.152 19.000 0.103 0.000 1.281 121 A HN 0.836 nan 8.150 nan 0.000 0.416 122 F N 0.708 120.814 119.950 0.260 0.000 2.467 122 F HA 0.431 4.959 4.527 0.001 0.000 0.336 122 F C 1.128 177.018 175.800 0.150 0.000 1.123 122 F CA -0.566 57.587 58.000 0.254 0.000 0.964 122 F CB 1.817 41.087 39.000 0.450 0.000 1.136 122 F HN 0.524 nan 8.300 nan 0.000 0.447 123 L N 5.783 127.131 121.223 0.209 0.000 2.043 123 L HA -0.080 4.260 4.340 0.001 0.000 0.212 123 L C -0.958 175.904 176.870 -0.013 0.000 1.075 123 L CA 2.217 57.105 54.840 0.080 0.000 0.752 123 L CB -1.220 40.873 42.059 0.056 0.000 0.891 123 L HN 0.382 nan 8.230 nan 0.000 0.432 124 P HA -0.047 nan 4.420 nan 0.000 0.242 124 P C -0.431 176.740 177.300 -0.215 0.000 1.197 124 P CA 0.581 63.442 63.100 -0.399 0.000 0.765 124 P CB -0.020 31.032 31.700 -1.079 0.000 0.936 125 E N 0.881 121.105 120.200 0.040 0.000 2.220 125 E HA 0.165 4.515 4.350 0.001 0.000 0.256 125 E C -0.209 176.515 176.600 0.206 0.000 0.881 125 E CA -0.719 55.817 56.400 0.227 0.000 0.766 125 E CB 0.316 30.309 29.700 0.488 0.000 1.187 125 E HN -0.266 nan 8.360 nan 0.000 0.419 126 K N 3.508 123.991 120.400 0.139 0.000 3.016 126 K HA -0.227 4.093 4.320 0.001 0.000 0.262 126 K C -0.361 176.281 176.600 0.069 0.000 1.043 126 K CA 0.928 57.272 56.287 0.095 0.000 0.761 126 K CB -1.748 30.813 32.500 0.102 0.000 1.230 126 K HN 0.865 nan 8.250 nan 0.000 0.485 127 N N -1.407 117.327 118.700 0.056 0.000 2.693 127 N HA -0.229 4.511 4.740 0.001 0.000 0.249 127 N C 0.730 176.269 175.510 0.049 0.000 1.119 127 N CA 2.274 55.346 53.050 0.036 0.000 0.717 127 N CB -1.555 36.942 38.487 0.017 0.000 1.071 127 N HN 0.820 nan 8.380 nan 0.000 0.555 128 G N -1.928 106.925 108.800 0.088 0.000 2.168 128 G HA2 -0.176 3.784 3.960 0.001 0.000 0.257 128 G HA3 -0.176 3.784 3.960 0.001 0.000 0.257 128 G C 0.360 175.291 174.900 0.053 0.000 0.997 128 G CA 0.983 46.137 45.100 0.090 0.000 0.708 128 G HN 1.260 nan 8.290 nan 0.000 0.520 129 A N -0.389 122.452 122.820 0.035 0.000 2.511 129 A HA 0.619 4.940 4.320 0.001 0.000 0.242 129 A C 1.566 179.132 177.584 -0.030 0.000 1.069 129 A CA 0.520 52.552 52.037 -0.007 0.000 0.763 129 A CB 0.229 19.220 19.000 -0.015 0.000 1.001 129 A HN 0.741 nan 8.150 nan 0.000 0.498 130 L N 2.317 123.503 121.223 -0.061 0.000 2.156 130 L HA -0.019 4.322 4.340 0.001 0.000 0.208 130 L C 0.016 176.812 176.870 -0.123 0.000 1.095 130 L CA 0.690 55.477 54.840 -0.089 0.000 0.770 130 L CB -0.315 41.676 42.059 -0.112 0.000 0.914 130 L HN 0.479 nan 8.230 nan 0.000 0.439 131 V N 0.603 120.448 119.914 -0.116 0.000 2.376 131 V HA 0.289 4.409 4.120 0.001 0.000 0.287 131 V C -0.488 175.561 176.094 -0.074 0.000 1.015 131 V CA -0.574 61.659 62.300 -0.111 0.000 0.834 131 V CB 1.405 33.162 31.823 -0.111 0.000 1.001 131 V HN 0.190 nan 8.190 nan 0.000 0.428 132 Q N 2.618 122.371 119.800 -0.079 0.000 2.312 132 Q HA 0.450 4.790 4.340 0.001 0.000 0.263 132 Q C -1.168 174.857 176.000 0.042 0.000 0.995 132 Q CA -0.860 54.928 55.803 -0.026 0.000 0.853 132 Q CB 2.405 31.105 28.738 -0.063 0.000 1.300 132 Q HN 0.609 nan 8.270 nan 0.000 0.448 133 D N 1.577 122.040 120.400 0.106 0.000 2.350 133 D HA 0.158 4.798 4.640 0.001 0.000 0.249 133 D C -0.687 175.704 176.300 0.151 0.000 1.119 133 D CA 0.008 54.130 54.000 0.204 0.000 0.886 133 D CB 1.594 42.519 40.800 0.209 0.000 1.195 133 D HN 0.125 nan 8.370 nan 0.000 0.437 134 V N 3.027 123.062 119.914 0.201 0.000 2.304 134 V HA 0.323 4.443 4.120 0.001 0.000 0.278 134 V C 0.164 176.365 176.094 0.178 0.000 1.018 134 V CA -0.630 61.773 62.300 0.171 0.000 0.814 134 V CB 1.133 33.052 31.823 0.159 0.000 1.021 134 V HN 0.415 nan 8.190 nan 0.000 0.440 135 V N 3.407 123.393 119.914 0.119 0.000 2.971 135 V HA 0.785 4.905 4.120 0.001 0.000 0.309 135 V C -2.896 173.273 176.094 0.124 0.000 1.130 135 V CA -2.478 59.867 62.300 0.075 0.000 0.964 135 V CB 2.706 34.458 31.823 -0.118 0.000 1.029 135 V HN 0.531 nan 8.190 nan 0.000 0.427 136 P HA 0.371 nan 4.420 nan 0.000 0.281 136 P C -0.705 176.762 177.300 0.279 0.000 1.252 136 P CA -0.060 63.164 63.100 0.207 0.000 0.778 136 P CB 1.579 33.349 31.700 0.117 0.000 0.895 137 V N 6.432 126.466 119.914 0.200 0.000 2.417 137 V HA 0.296 4.416 4.120 0.001 0.000 0.291 137 V C -2.124 173.887 176.094 -0.138 0.000 1.024 137 V CA -2.366 59.961 62.300 0.044 0.000 0.861 137 V CB 1.453 33.251 31.823 -0.042 0.000 0.985 137 V HN 0.465 nan 8.190 nan 0.000 0.436 138 P HA 0.180 nan 4.420 nan 0.000 0.264 138 P C 1.026 178.110 177.300 -0.359 0.000 1.183 138 P CA 1.429 64.053 63.100 -0.795 0.000 0.763 138 P CB 0.573 31.845 31.700 -0.714 0.000 0.807 139 G N 2.777 111.412 108.800 -0.275 0.000 2.225 139 G HA2 -0.279 3.682 3.960 0.001 0.000 0.254 139 G HA3 -0.279 3.682 3.960 0.001 0.000 0.254 139 G C 0.683 175.524 174.900 -0.098 0.000 0.988 139 G CA 0.037 45.046 45.100 -0.152 0.000 0.625 139 G HN 0.468 nan 8.290 nan 0.000 0.527 140 M N 0.354 119.901 119.600 -0.089 0.000 2.419 140 M HA 0.299 4.779 4.480 0.001 0.000 0.252 140 M C 1.657 177.999 176.300 0.070 0.000 1.143 140 M CA 0.367 55.649 55.300 -0.031 0.000 0.985 140 M CB 0.196 32.743 32.600 -0.087 0.000 1.489 140 M HN 0.241 nan 8.290 nan 0.000 0.484 141 E N 1.542 121.769 120.200 0.044 0.000 2.114 141 E HA -0.190 4.160 4.350 0.001 0.000 0.199 141 E C 1.496 178.128 176.600 0.053 0.000 1.008 141 E CA 1.376 57.804 56.400 0.046 0.000 0.810 141 E CB 0.013 29.731 29.700 0.029 0.000 0.739 141 E HN 0.396 nan 8.360 nan 0.000 0.456 142 E N -0.487 119.757 120.200 0.073 0.000 2.502 142 E HA -0.006 4.344 4.350 0.001 0.000 0.194 142 E C -0.224 176.439 176.600 0.106 0.000 1.062 142 E CA -0.113 56.327 56.400 0.067 0.000 0.867 142 E CB -0.088 29.642 29.700 0.050 0.000 0.888 142 E HN 0.165 nan 8.360 nan 0.000 0.510 143 F N 2.316 122.261 119.950 -0.009 0.000 2.456 143 F HA 0.047 4.574 4.527 0.001 0.000 0.358 143 F C 0.850 176.651 175.800 0.001 0.000 1.095 143 F CA -0.409 57.589 58.000 -0.004 0.000 1.216 143 F CB 0.781 39.782 39.000 0.003 0.000 1.125 143 F HN -0.261 nan 8.300 nan 0.000 0.549 144 Q N 5.334 124.761 119.800 -0.623 0.000 3.026 144 Q HA 0.356 4.697 4.340 0.001 0.000 0.258 144 Q C 0.141 175.869 176.000 -0.453 0.000 1.388 144 Q CA -0.049 55.490 55.803 -0.439 0.000 1.000 144 Q CB 0.228 28.726 28.738 -0.400 0.000 1.634 144 Q HN 0.910 nan 8.270 nan 0.000 0.571 145 G N 0.559 109.312 108.800 -0.078 0.000 2.488 145 G HA2 0.093 4.053 3.960 0.001 0.000 0.301 145 G HA3 0.093 4.053 3.960 0.001 0.000 0.301 145 G C 0.366 175.428 174.900 0.270 0.000 1.339 145 G CA -0.737 44.457 45.100 0.156 0.000 0.803 145 G HN 0.188 nan 8.290 nan 0.000 0.482 146 N N 0.004 118.869 118.700 0.274 0.000 2.069 146 N HA -0.208 4.532 4.740 0.001 0.000 0.196 146 N C 2.378 178.023 175.510 0.225 0.000 1.024 146 N CA 2.116 55.308 53.050 0.237 0.000 0.869 146 N CB -0.368 38.241 38.487 0.204 0.000 1.035 146 N HN 0.713 nan 8.380 nan 0.000 0.434 147 A N 0.412 123.369 122.820 0.228 0.000 2.119 147 A HA 0.248 4.568 4.320 0.001 0.000 0.216 147 A C 1.398 179.086 177.584 0.173 0.000 1.152 147 A CA 0.797 52.928 52.037 0.156 0.000 0.708 147 A CB -0.729 18.298 19.000 0.044 0.000 0.805 147 A HN 0.316 nan 8.150 nan 0.000 0.460 148 G N -0.912 108.028 108.800 0.234 0.000 2.634 148 G HA2 0.374 4.334 3.960 0.001 0.000 0.255 148 G HA3 0.374 4.334 3.960 0.001 0.000 0.255 148 G C 0.580 175.523 174.900 0.071 0.000 1.205 148 G CA 0.479 45.682 45.100 0.171 0.000 0.884 148 G HN 0.771 nan 8.290 nan 0.000 0.549 149 S N -1.553 114.106 115.700 -0.068 0.000 3.031 149 S HA 0.258 4.728 4.470 0.001 0.000 0.253 149 S C 0.490 174.971 174.600 -0.198 0.000 0.996 149 S CA 0.123 58.102 58.200 -0.367 0.000 1.098 149 S CB 0.334 62.999 63.200 -0.892 0.000 1.042 149 S HN 0.696 nan 8.310 nan 0.000 0.593 150 T N 1.626 116.155 114.554 -0.042 0.000 2.862 150 T HA 0.562 4.913 4.350 0.001 0.000 0.276 150 T C -0.127 174.589 174.700 0.027 0.000 0.974 150 T CA -0.841 61.254 62.100 -0.009 0.000 0.966 150 T CB 0.630 69.496 68.868 -0.003 0.000 1.072 150 T HN 0.486 nan 8.240 nan 0.000 0.538 151 L N 3.075 124.306 121.223 0.013 0.000 2.584 151 L HA 0.291 4.631 4.340 0.001 0.000 0.272 151 L C -0.598 176.259 176.870 -0.022 0.000 1.195 151 L CA -0.399 54.440 54.840 -0.001 0.000 0.920 151 L CB 0.201 42.249 42.059 -0.019 0.000 1.173 151 L HN 0.497 nan 8.230 nan 0.000 0.489 152 L N 6.252 127.461 121.223 -0.024 0.000 2.255 152 L HA 0.332 4.672 4.340 0.001 0.000 0.289 152 L C 0.481 177.285 176.870 -0.111 0.000 1.046 152 L CA 0.040 54.862 54.840 -0.030 0.000 0.816 152 L CB 1.064 43.155 42.059 0.053 0.000 1.197 152 L HN 0.759 nan 8.230 nan 0.000 0.427 153 T N 1.465 115.964 114.554 -0.091 0.000 2.860 153 T HA 0.296 4.646 4.350 0.001 0.000 0.299 153 T C 0.373 175.050 174.700 -0.038 0.000 1.045 153 T CA -0.416 61.619 62.100 -0.108 0.000 1.071 153 T CB 0.117 68.977 68.868 -0.014 0.000 0.985 153 T HN 0.237 nan 8.240 nan 0.000 0.537 154 F N 3.417 123.394 119.950 0.045 0.000 2.572 154 F HA 0.279 4.806 4.527 0.001 0.000 0.370 154 F C 1.457 177.231 175.800 -0.044 0.000 1.103 154 F CA 0.477 58.423 58.000 -0.089 0.000 1.286 154 F CB 0.138 39.044 39.000 -0.157 0.000 1.105 154 F HN 0.783 nan 8.300 nan 0.000 0.583 155 H N 0.232 119.233 119.070 -0.115 0.000 3.064 155 H HA 0.344 4.901 4.556 0.001 0.000 0.352 155 H C -1.623 173.567 175.328 -0.229 0.000 1.260 155 H CA -1.311 54.639 56.048 -0.164 0.000 1.160 155 H CB 0.427 30.088 29.762 -0.168 0.000 1.879 155 H HN 0.487 nan 8.280 nan 0.000 0.544 156 N N 0.841 119.489 118.700 -0.086 0.000 2.530 156 N HA 0.077 4.817 4.740 0.001 0.000 0.273 156 N C -0.238 175.308 175.510 0.060 0.000 1.173 156 N CA -0.333 52.679 53.050 -0.063 0.000 0.967 156 N CB 1.018 39.461 38.487 -0.073 0.000 1.109 156 N HN 0.505 nan 8.380 nan 0.000 0.453 157 E N 1.492 121.765 120.200 0.121 0.000 2.366 157 E HA -0.017 4.334 4.350 0.001 0.000 0.266 157 E C -0.658 175.853 176.600 -0.149 0.000 1.015 157 E CA 0.223 56.706 56.400 0.138 0.000 0.906 157 E CB -0.227 29.528 29.700 0.091 0.000 0.979 157 E HN 0.562 nan 8.360 nan 0.000 0.443 158 N N 2.869 121.473 118.700 -0.160 0.000 2.714 158 N HA -0.320 4.420 4.740 0.001 0.000 0.252 158 N C 0.474 175.675 175.510 -0.514 0.000 1.014 158 N CA 0.107 52.898 53.050 -0.432 0.000 0.735 158 N CB -0.602 37.329 38.487 -0.926 0.000 0.924 158 N HN 0.575 nan 8.380 nan 0.000 0.540 159 A N 0.540 123.252 122.820 -0.181 0.000 1.948 159 A HA -0.211 4.110 4.320 0.001 0.000 0.220 159 A C 1.722 179.203 177.584 -0.172 0.000 1.177 159 A CA 1.904 53.856 52.037 -0.142 0.000 0.636 159 A CB -0.761 18.222 19.000 -0.029 0.000 0.815 159 A HN 0.682 nan 8.150 nan 0.000 0.449 160 F N -1.345 118.509 119.950 -0.160 0.000 2.333 160 F HA 0.010 4.538 4.527 0.001 0.000 0.300 160 F C 1.157 176.858 175.800 -0.165 0.000 1.083 160 F CA 0.782 58.686 58.000 -0.161 0.000 1.395 160 F CB -0.617 38.263 39.000 -0.201 0.000 1.056 160 F HN 0.283 nan 8.300 nan 0.000 0.529 161 H N 2.065 120.418 119.070 -1.195 0.000 2.527 161 H HA 0.140 4.696 4.556 0.001 0.000 0.321 161 H C 1.091 176.136 175.328 -0.471 0.000 1.087 161 H CA 0.013 55.479 56.048 -0.970 0.000 1.337 161 H CB 1.197 30.131 29.762 -1.379 0.000 1.440 161 H HN 0.392 nan 8.280 nan 0.000 0.490 162 E N 3.073 123.127 120.200 -0.243 0.000 2.118 162 E HA -0.185 4.166 4.350 0.001 0.000 0.195 162 E C -0.045 176.381 176.600 -0.290 0.000 0.992 162 E CA 1.001 57.229 56.400 -0.286 0.000 0.804 162 E CB 0.215 29.655 29.700 -0.434 0.000 0.741 162 E HN 0.613 nan 8.360 nan 0.000 0.458 163 H N 0.660 119.944 119.070 0.356 0.000 2.507 163 H HA 0.136 4.693 4.556 0.001 0.000 0.281 163 H C -0.176 175.188 175.328 0.061 0.000 1.160 163 H CA -0.245 55.909 56.048 0.176 0.000 0.981 163 H CB -0.251 29.627 29.762 0.193 0.000 1.665 163 H HN 0.197 nan 8.280 nan 0.000 0.554 164 R N 0.617 121.100 120.500 -0.028 0.000 2.758 164 R HA 0.109 4.449 4.340 0.001 0.000 0.263 164 R C -2.672 173.570 176.300 -0.096 0.000 1.010 164 R CA -1.395 54.573 56.100 -0.220 0.000 1.114 164 R CB -0.630 29.470 30.300 -0.334 0.000 0.985 164 R HN -0.106 nan 8.270 nan 0.000 0.439 165 P HA -0.071 nan 4.420 nan 0.000 0.264 165 P C -0.380 176.842 177.300 -0.131 0.000 1.183 165 P CA 0.240 63.265 63.100 -0.124 0.000 0.763 165 P CB 0.497 32.013 31.700 -0.306 0.000 0.807 166 D N 1.590 121.911 120.400 -0.132 0.000 2.162 166 D HA 0.019 4.659 4.640 0.001 0.000 0.205 166 D C 0.331 176.280 176.300 -0.584 0.000 0.964 166 D CA 1.491 55.277 54.000 -0.358 0.000 0.847 166 D CB 0.045 40.621 40.800 -0.373 0.000 0.988 166 D HN 0.317 nan 8.370 nan 0.000 0.480 167 F N 0.138 120.119 119.950 0.052 0.000 2.563 167 F HA 0.383 4.910 4.527 0.001 0.000 0.316 167 F C -0.065 175.812 175.800 0.127 0.000 1.076 167 F CA -1.109 56.942 58.000 0.085 0.000 0.921 167 F CB 2.039 41.104 39.000 0.108 0.000 1.209 167 F HN -0.430 nan 8.300 nan 0.000 0.462 168 V N 3.947 124.043 119.914 0.304 0.000 2.417 168 V HA 0.479 4.599 4.120 0.001 0.000 0.291 168 V C -0.225 175.949 176.094 0.133 0.000 1.024 168 V CA -0.679 61.779 62.300 0.263 0.000 0.861 168 V CB 1.523 33.432 31.823 0.143 0.000 0.985 168 V HN 0.686 nan 8.190 nan 0.000 0.436 169 M N 6.144 125.796 119.600 0.086 0.000 2.294 169 M HA 0.616 5.097 4.480 0.001 0.000 0.335 169 M C -1.234 175.039 176.300 -0.045 0.000 1.079 169 M CA -0.402 54.893 55.300 -0.008 0.000 0.982 169 M CB 2.028 34.610 32.600 -0.029 0.000 1.651 169 M HN 0.393 nan 8.290 nan 0.000 0.437 170 L N 4.504 125.687 121.223 -0.067 0.000 2.372 170 L HA 0.512 4.852 4.340 0.001 0.000 0.273 170 L C -1.176 175.649 176.870 -0.075 0.000 0.989 170 L CA -0.724 54.076 54.840 -0.067 0.000 0.841 170 L CB 1.836 43.856 42.059 -0.066 0.000 1.225 170 L HN 0.537 nan 8.230 nan 0.000 0.414 171 L N 3.937 125.114 121.223 -0.076 0.000 2.264 171 L HA 0.441 4.782 4.340 0.001 0.000 0.289 171 L C -0.248 176.559 176.870 -0.105 0.000 1.044 171 L CA -0.028 54.757 54.840 -0.091 0.000 0.807 171 L CB 1.341 43.339 42.059 -0.101 0.000 1.192 171 L HN 0.729 nan 8.230 nan 0.000 0.425 172 C N 6.287 125.529 119.300 -0.097 0.000 2.394 172 C HA 0.317 4.778 4.460 0.001 0.000 0.362 172 C C 1.473 176.375 174.990 -0.148 0.000 1.268 172 C CA -0.558 58.404 59.018 -0.094 0.000 1.828 172 C CB -1.028 26.675 27.740 -0.061 0.000 2.442 172 C HN 0.997 nan 8.230 nan 0.000 0.549 173 L N 3.715 124.805 121.223 -0.222 0.000 2.221 173 L HA 0.288 4.629 4.340 0.001 0.000 0.202 173 L C 1.340 178.124 176.870 -0.144 0.000 1.074 173 L CA 0.607 55.258 54.840 -0.315 0.000 0.795 173 L CB -0.277 41.323 42.059 -0.765 0.000 0.960 173 L HN 0.645 nan 8.230 nan 0.000 0.458 174 R N 0.315 120.804 120.500 -0.018 0.000 2.574 174 R HA 0.575 4.916 4.340 0.001 0.000 0.288 174 R C -0.897 175.436 176.300 0.054 0.000 1.004 174 R CA -0.387 55.752 56.100 0.065 0.000 0.895 174 R CB 1.896 32.311 30.300 0.192 0.000 1.191 174 R HN 0.026 nan 8.270 nan 0.000 0.444 175 A N 2.559 125.390 122.820 0.018 0.000 2.366 175 A HA 0.105 4.426 4.320 0.001 0.000 0.249 175 A C -0.434 177.140 177.584 -0.017 0.000 1.084 175 A CA -0.225 51.807 52.037 -0.009 0.000 0.794 175 A CB 0.390 19.380 19.000 -0.017 0.000 1.034 175 A HN 0.812 nan 8.150 nan 0.000 0.491 176 D N 1.661 122.015 120.400 -0.077 0.000 2.389 176 D HA 0.128 4.769 4.640 0.001 0.000 0.263 176 D C -1.185 175.083 176.300 -0.054 0.000 1.255 176 D CA -1.157 52.773 54.000 -0.117 0.000 0.914 176 D CB 0.739 41.364 40.800 -0.293 0.000 1.116 176 D HN 0.196 nan 8.370 nan 0.000 0.502 177 P HA -0.112 nan 4.420 nan 0.000 0.229 177 P C 1.061 178.364 177.300 0.004 0.000 1.160 177 P CA 0.881 63.982 63.100 0.002 0.000 0.777 177 P CB -0.054 31.656 31.700 0.016 0.000 0.814 178 T N -4.626 109.934 114.554 0.011 0.000 3.055 178 T HA 0.206 4.557 4.350 0.001 0.000 0.265 178 T C 1.687 176.398 174.700 0.018 0.000 1.111 178 T CA 1.049 63.167 62.100 0.030 0.000 1.118 178 T CB -1.056 67.860 68.868 0.080 0.000 0.909 178 T HN 0.224 nan 8.240 nan 0.000 0.501 179 G N 1.448 110.242 108.800 -0.009 0.000 2.179 179 G HA2 -0.289 3.672 3.960 0.001 0.000 0.260 179 G HA3 -0.289 3.672 3.960 0.001 0.000 0.260 179 G C 1.057 175.952 174.900 -0.008 0.000 0.977 179 G CA 0.374 45.466 45.100 -0.012 0.000 0.641 179 G HN 0.560 nan 8.290 nan 0.000 0.533 180 R N 0.125 120.628 120.500 0.005 0.000 2.237 180 R HA 0.503 4.843 4.340 0.001 0.000 0.195 180 R C 1.486 177.788 176.300 0.005 0.000 0.956 180 R CA 0.668 56.791 56.100 0.039 0.000 1.029 180 R CB 0.370 30.736 30.300 0.111 0.000 0.972 180 R HN 0.533 nan 8.270 nan 0.000 0.493 181 A N 1.119 123.850 122.820 -0.148 0.000 2.363 181 A HA 0.603 4.924 4.320 0.001 0.000 0.270 181 A C -0.010 177.474 177.584 -0.167 0.000 1.121 181 A CA -0.026 51.824 52.037 -0.313 0.000 0.800 181 A CB 0.883 19.289 19.000 -0.991 0.000 1.052 181 A HN 0.286 nan 8.150 nan 0.000 0.493 182 G N 0.920 109.670 108.800 -0.083 0.000 2.753 182 G HA2 0.525 4.485 3.960 0.001 0.000 0.297 182 G HA3 0.525 4.485 3.960 0.001 0.000 0.297 182 G C -1.237 173.684 174.900 0.035 0.000 1.430 182 G CA -0.666 44.424 45.100 -0.017 0.000 1.040 182 G HN 0.995 nan 8.290 nan 0.000 0.530 183 L N 1.566 122.842 121.223 0.088 0.000 2.410 183 L HA 0.549 4.889 4.340 0.001 0.000 0.273 183 L C 0.423 177.439 176.870 0.245 0.000 1.152 183 L CA -0.060 54.872 54.840 0.153 0.000 0.855 183 L CB 0.187 42.328 42.059 0.137 0.000 1.129 183 L HN 0.501 nan 8.230 nan 0.000 0.463 184 R N 3.219 123.841 120.500 0.202 0.000 2.445 184 R HA 0.606 4.947 4.340 0.001 0.000 0.308 184 R C -0.728 175.789 176.300 0.361 0.000 0.961 184 R CA -0.520 55.732 56.100 0.252 0.000 0.862 184 R CB 1.507 31.925 30.300 0.197 0.000 1.144 184 R HN 0.766 nan 8.270 nan 0.000 0.447 185 T N -1.127 113.629 114.554 0.337 0.000 2.861 185 T HA 0.756 5.106 4.350 0.001 0.000 0.287 185 T C -0.623 174.120 174.700 0.072 0.000 1.003 185 T CA -0.919 61.327 62.100 0.242 0.000 0.977 185 T CB 2.040 71.068 68.868 0.266 0.000 0.996 185 T HN 0.615 nan 8.240 nan 0.000 0.448 186 A N 1.667 124.394 122.820 -0.156 0.000 2.359 186 A HA 0.702 5.023 4.320 0.001 0.000 0.303 186 A C -0.221 177.214 177.584 -0.249 0.000 1.066 186 A CA -0.881 50.981 52.037 -0.290 0.000 0.730 186 A CB 1.071 19.662 19.000 -0.682 0.000 1.211 186 A HN 1.163 nan 8.150 nan 0.000 0.439 187 C N 2.497 121.748 119.300 -0.082 0.000 2.341 187 C HA 0.471 4.931 4.460 0.001 0.000 0.338 187 C C 1.887 176.896 174.990 0.032 0.000 1.257 187 C CA 0.002 58.995 59.018 -0.041 0.000 1.883 187 C CB 0.798 28.520 27.740 -0.030 0.000 2.334 187 C HN 1.009 nan 8.230 nan 0.000 0.524 188 V N 6.116 126.053 119.914 0.039 0.000 2.568 188 V HA -0.138 3.983 4.120 0.001 0.000 0.253 188 V C 2.432 178.529 176.094 0.004 0.000 1.072 188 V CA 2.099 64.430 62.300 0.052 0.000 1.084 188 V CB -0.638 31.186 31.823 0.003 0.000 0.676 188 V HN 0.987 nan 8.190 nan 0.000 0.469 189 R N -0.608 119.888 120.500 -0.007 0.000 2.127 189 R HA -0.108 4.232 4.340 0.001 0.000 0.238 189 R C 2.419 178.715 176.300 -0.007 0.000 1.134 189 R CA 1.409 57.503 56.100 -0.011 0.000 0.975 189 R CB -0.303 29.985 30.300 -0.020 0.000 0.865 189 R HN 0.397 nan 8.270 nan 0.000 0.447 190 R N 0.130 120.631 120.500 0.000 0.000 2.119 190 R HA -0.041 4.299 4.340 0.001 0.000 0.222 190 R C 2.299 178.597 176.300 -0.003 0.000 1.088 190 R CA 1.319 57.422 56.100 0.006 0.000 0.984 190 R CB -0.418 29.892 30.300 0.017 0.000 0.884 190 R HN 0.305 nan 8.270 nan 0.000 0.447 191 V N -1.768 118.138 119.914 -0.013 0.000 2.825 191 V HA 0.013 4.134 4.120 0.001 0.000 0.246 191 V C 2.178 178.178 176.094 -0.155 0.000 1.068 191 V CA 0.481 62.733 62.300 -0.080 0.000 1.088 191 V CB -0.713 31.049 31.823 -0.101 0.000 0.733 191 V HN -0.007 nan 8.190 nan 0.000 0.468 192 L N 1.845 123.006 121.223 -0.103 0.000 2.013 192 L HA -0.006 4.334 4.340 0.001 0.000 0.212 192 L C -0.094 176.721 176.870 -0.091 0.000 1.073 192 L CA 2.745 57.526 54.840 -0.098 0.000 0.753 192 L CB -1.658 40.377 42.059 -0.039 0.000 0.890 192 L HN 0.340 nan 8.230 nan 0.000 0.432 193 P HA -0.065 nan 4.420 nan 0.000 0.233 193 P C 1.634 178.884 177.300 -0.082 0.000 1.167 193 P CA 1.145 64.213 63.100 -0.053 0.000 0.770 193 P CB -0.001 31.683 31.700 -0.027 0.000 0.837 194 L N -2.067 119.067 121.223 -0.149 0.000 2.529 194 L HA 0.137 4.477 4.340 0.001 0.000 0.223 194 L C 1.049 177.709 176.870 -0.350 0.000 1.113 194 L CA -0.073 54.644 54.840 -0.205 0.000 0.861 194 L CB -0.323 41.613 42.059 -0.204 0.000 1.012 194 L HN -0.072 nan 8.230 nan 0.000 0.461 195 L N 0.757 121.768 121.223 -0.354 0.000 2.397 195 L HA 0.143 4.484 4.340 0.001 0.000 0.271 195 L C 0.947 177.733 176.870 -0.141 0.000 1.148 195 L CA -0.283 54.362 54.840 -0.324 0.000 0.825 195 L CB 1.085 42.987 42.059 -0.263 0.000 1.117 195 L HN 0.176 nan 8.230 nan 0.000 0.456 196 S N 0.397 116.046 115.700 -0.085 0.000 2.579 196 S HA 0.013 4.483 4.470 0.001 0.000 0.275 196 S C 0.617 175.209 174.600 -0.013 0.000 1.345 196 S CA -0.726 57.458 58.200 -0.028 0.000 1.031 196 S CB 1.010 64.210 63.200 -0.000 0.000 0.892 196 S HN 0.588 nan 8.310 nan 0.000 0.529 197 D N 1.773 122.175 120.400 0.002 0.000 2.123 197 D HA -0.124 4.516 4.640 0.001 0.000 0.196 197 D C 2.330 178.650 176.300 0.033 0.000 0.992 197 D CA 1.998 56.009 54.000 0.018 0.000 0.833 197 D CB -0.759 40.050 40.800 0.015 0.000 0.954 197 D HN 0.762 nan 8.370 nan 0.000 0.455 198 S N -0.455 115.261 115.700 0.026 0.000 2.382 198 S HA -0.131 4.340 4.470 0.001 0.000 0.228 198 S C 2.085 176.713 174.600 0.045 0.000 1.027 198 S CA 1.458 59.678 58.200 0.034 0.000 0.991 198 S CB -0.741 62.474 63.200 0.025 0.000 0.823 198 S HN 0.111 nan 8.310 nan 0.000 0.469 199 T N 2.258 116.830 114.554 0.030 0.000 2.777 199 T HA 0.001 4.351 4.350 0.001 0.000 0.266 199 T C 1.911 176.629 174.700 0.031 0.000 1.040 199 T CA 1.367 63.482 62.100 0.025 0.000 1.141 199 T CB -0.549 68.312 68.868 -0.012 0.000 0.868 199 T HN 0.282 nan 8.240 nan 0.000 0.444 200 V N 1.997 121.934 119.914 0.038 0.000 2.295 200 V HA -0.190 3.931 4.120 0.001 0.000 0.246 200 V C 2.385 178.616 176.094 0.229 0.000 1.049 200 V CA 1.823 64.181 62.300 0.097 0.000 1.024 200 V CB -0.614 31.287 31.823 0.130 0.000 0.648 200 V HN 0.405 nan 8.190 nan 0.000 0.447 201 D N 0.452 120.966 120.400 0.190 0.000 2.116 201 D HA -0.179 4.461 4.640 0.001 0.000 0.193 201 D C 2.224 178.649 176.300 0.208 0.000 0.998 201 D CA 1.833 55.953 54.000 0.200 0.000 0.836 201 D CB -0.469 40.396 40.800 0.108 0.000 0.951 201 D HN 0.441 nan 8.370 nan 0.000 0.449 202 A N 0.551 123.465 122.820 0.157 0.000 1.908 202 A HA -0.141 4.180 4.320 0.001 0.000 0.218 202 A C 2.408 180.181 177.584 0.316 0.000 1.181 202 A CA 1.053 53.199 52.037 0.182 0.000 0.627 202 A CB -0.823 18.267 19.000 0.151 0.000 0.818 202 A HN 0.245 nan 8.150 nan 0.000 0.445 203 L N -2.828 118.506 121.223 0.184 0.000 2.201 203 L HA -0.168 4.172 4.340 0.001 0.000 0.212 203 L C 2.319 179.130 176.870 -0.098 0.000 1.105 203 L CA 0.807 55.627 54.840 -0.033 0.000 0.775 203 L CB -0.383 41.497 42.059 -0.298 0.000 0.913 203 L HN 0.616 nan 8.230 nan 0.000 0.440 204 W N 0.109 121.456 121.300 0.078 0.000 2.800 204 W HA 0.161 4.822 4.660 0.001 0.000 0.249 204 W C 1.336 177.913 176.519 0.096 0.000 1.294 204 W CA -0.175 57.205 57.345 0.059 0.000 1.402 204 W CB 0.005 29.480 29.460 0.025 0.000 1.126 204 W HN -0.042 nan 8.180 nan 0.000 0.652 205 A N 2.033 125.051 122.820 0.331 0.000 2.340 205 A HA 0.319 4.640 4.320 0.001 0.000 0.268 205 A C -2.099 175.617 177.584 0.219 0.000 1.100 205 A CA -1.357 50.812 52.037 0.221 0.000 0.803 205 A CB -0.063 19.015 19.000 0.130 0.000 1.043 205 A HN -0.112 nan 8.150 nan 0.000 0.488 206 P HA 0.205 nan 4.420 nan 0.000 0.237 206 P C -0.629 176.679 177.300 0.014 0.000 1.788 206 P CA 0.419 63.585 63.100 0.111 0.000 1.061 206 P CB -0.136 31.608 31.700 0.073 0.000 1.967 207 E N 0.879 121.022 120.200 -0.095 0.000 2.968 207 E HA 0.233 4.583 4.350 0.001 0.000 0.202 207 E C -0.809 175.336 176.600 -0.759 0.000 0.979 207 E CA -0.166 55.981 56.400 -0.422 0.000 1.192 207 E CB 0.265 29.657 29.700 -0.512 0.000 1.059 207 E HN 0.306 nan 8.360 nan 0.000 0.470 208 F N 0.427 120.371 119.950 -0.009 0.000 2.561 208 F HA 0.463 4.991 4.527 0.001 0.000 0.313 208 F C -0.027 175.766 175.800 -0.011 0.000 1.126 208 F CA -0.987 57.005 58.000 -0.013 0.000 0.918 208 F CB 1.687 40.675 39.000 -0.020 0.000 1.199 208 F HN -0.229 nan 8.300 nan 0.000 0.444 209 R N 1.203 121.786 120.500 0.138 0.000 2.343 209 R HA 0.625 4.966 4.340 0.001 0.000 0.320 209 R C -1.349 174.996 176.300 0.074 0.000 0.956 209 R CA -0.335 55.811 56.100 0.078 0.000 0.836 209 R CB 1.446 31.765 30.300 0.032 0.000 1.151 209 R HN 0.741 nan 8.270 nan 0.000 0.450 210 T N 3.322 117.914 114.554 0.063 0.000 3.060 210 T HA 0.367 4.718 4.350 0.001 0.000 0.367 210 T C -0.280 174.443 174.700 0.039 0.000 1.229 210 T CA -0.490 61.641 62.100 0.052 0.000 1.104 210 T CB 1.249 70.154 68.868 0.062 0.000 1.083 210 T HN 0.673 nan 8.240 nan 0.000 0.524 211 A N 4.700 127.514 122.820 -0.009 0.000 2.351 211 A HA 0.699 5.020 4.320 0.001 0.000 0.257 211 A C -2.289 175.187 177.584 -0.179 0.000 1.087 211 A CA -1.451 50.552 52.037 -0.056 0.000 0.798 211 A CB -0.141 18.823 19.000 -0.060 0.000 1.033 211 A HN 0.426 nan 8.150 nan 0.000 0.488 212 P HA 0.269 nan 4.420 nan 0.000 0.272 212 P C -2.473 174.506 177.300 -0.535 0.000 1.223 212 P CA -0.944 61.653 63.100 -0.839 0.000 0.784 212 P CB -0.158 31.183 31.700 -0.599 0.000 0.923 213 P HA 0.162 nan 4.420 nan 0.000 0.274 213 P C -2.052 175.205 177.300 -0.073 0.000 1.237 213 P CA -1.619 61.348 63.100 -0.221 0.000 0.793 213 P CB -0.366 31.255 31.700 -0.132 0.000 0.977 214 P HA -0.161 nan 4.420 nan 0.000 0.217 214 P C 1.615 178.937 177.300 0.037 0.000 1.148 214 P CA 1.647 64.751 63.100 0.007 0.000 0.834 214 P CB -0.261 31.446 31.700 0.012 0.000 0.783 215 S N -1.788 113.954 115.700 0.070 0.000 2.400 215 S HA -0.107 4.364 4.470 0.001 0.000 0.232 215 S C 1.321 175.902 174.600 -0.031 0.000 1.025 215 S CA 1.086 59.306 58.200 0.034 0.000 0.993 215 S CB -0.951 62.282 63.200 0.056 0.000 0.808 215 S HN 0.186 nan 8.310 nan 0.000 0.478 216 F N 1.578 121.503 119.950 -0.041 0.000 2.797 216 F HA 0.188 4.715 4.527 0.001 0.000 0.302 216 F C 0.901 176.701 175.800 0.000 0.000 1.130 216 F CA -0.103 57.898 58.000 0.000 0.000 1.387 216 F CB 0.210 39.176 39.000 -0.057 0.000 1.107 216 F HN 0.225 nan 8.300 nan 0.000 0.577 217 Q N -2.000 117.860 119.800 0.101 0.000 2.574 217 Q HA 0.226 4.567 4.340 0.001 0.000 0.265 217 Q C -0.351 175.666 176.000 0.029 0.000 0.975 217 Q CA -0.590 55.250 55.803 0.061 0.000 0.923 217 Q CB 0.664 29.440 28.738 0.064 0.000 1.518 217 Q HN 0.044 nan 8.270 nan 0.000 0.401 218 L N 0.643 121.878 121.223 0.021 0.000 2.079 218 L HA -0.019 4.321 4.340 0.001 0.000 0.210 218 L C 0.725 177.601 176.870 0.010 0.000 1.081 218 L CA 1.855 56.702 54.840 0.013 0.000 0.752 218 L CB -0.069 41.997 42.059 0.011 0.000 0.896 218 L HN 0.936 nan 8.230 nan 0.000 0.433 219 S N -3.495 112.214 115.700 0.014 0.000 2.395 219 S HA 0.316 4.786 4.470 0.001 0.000 0.292 219 S C -0.378 174.229 174.600 0.011 0.000 0.717 219 S CA -0.259 57.947 58.200 0.010 0.000 1.431 219 S CB -0.759 62.441 63.200 0.000 0.000 1.757 219 S HN 0.445 nan 8.310 nan 0.000 0.421 220 G N 0.805 109.610 108.800 0.008 0.000 3.019 220 G HA2 0.462 4.423 3.960 0.001 0.000 0.125 220 G HA3 0.462 4.423 3.960 0.001 0.000 0.125 220 G C -2.842 172.062 174.900 0.006 0.000 1.193 220 G CA 0.196 45.301 45.100 0.009 0.000 1.432 220 G HN 0.796 nan 8.290 nan 0.000 0.687 221 P HA 0.177 nan 4.420 nan 0.000 0.238 221 P C -0.276 177.026 177.300 0.003 0.000 1.090 221 P CA 0.569 63.673 63.100 0.007 0.000 0.944 221 P CB 0.031 31.736 31.700 0.010 0.000 0.881 222 E N 2.973 123.173 120.200 0.000 0.000 2.491 222 E HA -0.095 4.256 4.350 0.001 0.000 0.250 222 E C -0.064 176.537 176.600 0.000 0.000 1.061 222 E CA -0.342 56.057 56.400 -0.002 0.000 0.942 222 E CB 0.177 29.875 29.700 -0.003 0.000 0.957 222 E HN 0.263 nan 8.360 nan 0.000 0.480 223 E N 3.076 123.277 120.200 0.001 0.000 2.765 223 E HA -0.017 4.334 4.350 0.001 0.000 0.256 223 E C -0.750 175.856 176.600 0.009 0.000 0.935 223 E CA 0.549 56.954 56.400 0.008 0.000 0.954 223 E CB 0.481 30.189 29.700 0.012 0.000 0.908 223 E HN 0.560 nan 8.360 nan 0.000 0.500 224 A N 5.942 128.769 122.820 0.010 0.000 2.477 224 A HA 0.318 4.638 4.320 0.001 0.000 0.246 224 A C -2.092 175.504 177.584 0.021 0.000 1.078 224 A CA -1.274 50.770 52.037 0.011 0.000 0.770 224 A CB -0.057 18.950 19.000 0.011 0.000 1.011 224 A HN 0.509 nan 8.150 nan 0.000 0.494 225 P HA 0.364 nan 4.420 nan 0.000 0.266 225 P C -0.282 177.052 177.300 0.056 0.000 1.195 225 P CA 0.530 63.648 63.100 0.030 0.000 0.768 225 P CB 0.886 32.583 31.700 -0.006 0.000 0.838 226 A N 4.186 127.069 122.820 0.106 0.000 2.569 226 A HA 0.803 5.124 4.320 0.001 0.000 0.290 226 A C -2.902 174.814 177.584 0.221 0.000 1.136 226 A CA -1.827 50.281 52.037 0.118 0.000 0.710 226 A CB 0.925 19.967 19.000 0.069 0.000 1.303 226 A HN 0.263 nan 8.150 nan 0.000 0.413 227 P HA 0.381 nan 4.420 nan 0.000 0.276 227 P C 0.587 177.838 177.300 -0.083 0.000 1.252 227 P CA -0.292 62.903 63.100 0.159 0.000 0.802 227 P CB 0.839 32.610 31.700 0.118 0.000 1.035 228 V N 0.663 120.347 119.914 -0.384 0.000 2.446 228 V HA -0.024 4.096 4.120 0.001 0.000 0.244 228 V C 1.170 176.997 176.094 -0.445 0.000 1.039 228 V CA 1.177 63.163 62.300 -0.523 0.000 1.045 228 V CB -0.540 30.785 31.823 -0.831 0.000 0.681 228 V HN 0.361 nan 8.190 nan 0.000 0.459 229 L N 0.961 121.810 121.223 -0.623 0.000 2.350 229 L HA 0.463 4.803 4.340 0.001 0.000 0.275 229 L C -0.741 175.706 176.870 -0.705 0.000 1.099 229 L CA 0.094 54.395 54.840 -0.898 0.000 0.808 229 L CB 0.973 41.964 42.059 -1.781 0.000 1.149 229 L HN 0.141 nan 8.230 nan 0.000 0.442 230 L N 1.706 122.684 121.223 -0.408 0.000 2.409 230 L HA 0.753 5.093 4.340 0.001 0.000 0.262 230 L C 0.527 177.512 176.870 0.191 0.000 0.992 230 L CA -0.444 54.397 54.840 0.001 0.000 0.817 230 L CB 1.882 43.916 42.059 -0.042 0.000 1.350 230 L HN 0.845 nan 8.230 nan 0.000 0.411 231 G N 2.093 111.066 108.800 0.289 0.000 2.509 231 G HA2 -0.287 3.673 3.960 0.001 0.000 0.256 231 G HA3 -0.287 3.673 3.960 0.001 0.000 0.256 231 G C -0.489 174.557 174.900 0.243 0.000 1.152 231 G CA 0.274 45.492 45.100 0.198 0.000 0.951 231 G HN 0.775 nan 8.290 nan 0.000 0.559 232 D N 0.431 120.936 120.400 0.175 0.000 2.382 232 D HA 0.491 5.131 4.640 0.001 0.000 0.245 232 D C 1.864 178.285 176.300 0.202 0.000 1.120 232 D CA -0.250 53.818 54.000 0.114 0.000 0.890 232 D CB 0.592 41.433 40.800 0.069 0.000 1.201 232 D HN 0.377 nan 8.370 nan 0.000 0.433 233 R N 1.524 122.036 120.500 0.020 0.000 2.115 233 R HA -0.081 4.259 4.340 0.001 0.000 0.230 233 R C 1.912 178.305 176.300 0.156 0.000 1.111 233 R CA 1.200 57.307 56.100 0.012 0.000 0.976 233 R CB -0.560 29.607 30.300 -0.222 0.000 0.870 233 R HN 0.619 nan 8.270 nan 0.000 0.445 234 S N -0.667 115.086 115.700 0.088 0.000 2.456 234 S HA -0.026 4.445 4.470 0.001 0.000 0.224 234 S C 0.658 175.302 174.600 0.074 0.000 1.035 234 S CA 0.291 58.534 58.200 0.071 0.000 0.940 234 S CB 0.393 63.612 63.200 0.032 0.000 0.799 234 S HN 0.060 nan 8.310 nan 0.000 0.508 235 D N 2.773 123.221 120.400 0.079 0.000 2.739 235 D HA 0.426 5.066 4.640 0.001 0.000 0.335 235 D C -2.786 173.555 176.300 0.068 0.000 1.216 235 D CA -2.139 51.893 54.000 0.053 0.000 0.808 235 D CB 1.205 42.022 40.800 0.029 0.000 1.121 235 D HN 0.226 nan 8.370 nan 0.000 0.499 236 P HA 0.242 nan 4.420 nan 0.000 0.274 236 P C -0.229 177.060 177.300 -0.020 0.000 1.237 236 P CA -0.314 62.837 63.100 0.085 0.000 0.793 236 P CB 1.397 33.119 31.700 0.037 0.000 0.977 237 D N -0.027 120.347 120.400 -0.043 0.000 2.423 237 D HA 0.502 5.142 4.640 0.001 0.000 0.255 237 D C 0.194 176.406 176.300 -0.147 0.000 1.174 237 D CA -0.101 53.847 54.000 -0.087 0.000 1.008 237 D CB 0.540 41.293 40.800 -0.079 0.000 1.101 237 D HN 0.349 nan 8.370 nan 0.000 0.516 238 L N -2.275 118.863 121.223 -0.142 0.000 2.409 238 L HA 0.733 5.074 4.340 0.001 0.000 0.255 238 L C -0.987 175.796 176.870 -0.144 0.000 1.027 238 L CA -1.008 53.729 54.840 -0.172 0.000 0.834 238 L CB 2.604 44.574 42.059 -0.148 0.000 1.426 238 L HN 0.218 nan 8.230 nan 0.000 0.411 239 R N 2.164 122.569 120.500 -0.158 0.000 2.575 239 R HA 0.747 5.088 4.340 0.001 0.000 0.292 239 R C -2.301 173.924 176.300 -0.124 0.000 1.246 239 R CA -0.364 55.658 56.100 -0.129 0.000 0.973 239 R CB 1.945 32.172 30.300 -0.122 0.000 1.187 239 R HN 0.688 nan 8.270 nan 0.000 0.478 240 V N 2.972 122.838 119.914 -0.080 0.000 3.048 240 V HA 0.470 4.591 4.120 0.001 0.000 0.303 240 V C -1.942 174.163 176.094 0.018 0.000 1.214 240 V CA -0.608 61.664 62.300 -0.046 0.000 0.984 240 V CB 2.372 34.171 31.823 -0.041 0.000 1.054 240 V HN 0.768 nan 8.190 nan 0.000 0.430 241 D N 4.400 124.825 120.400 0.042 0.000 2.575 241 D HA 0.329 4.969 4.640 0.001 0.000 0.250 241 D C 0.607 176.950 176.300 0.072 0.000 1.279 241 D CA -0.348 53.697 54.000 0.075 0.000 0.925 241 D CB 1.975 42.797 40.800 0.037 0.000 1.261 241 D HN 0.493 nan 8.370 nan 0.000 0.567 242 L N 2.471 123.763 121.223 0.116 0.000 2.362 242 L HA -0.024 4.317 4.340 0.001 0.000 0.219 242 L C 2.244 179.148 176.870 0.057 0.000 1.134 242 L CA 0.913 55.821 54.840 0.113 0.000 0.807 242 L CB -0.064 42.107 42.059 0.187 0.000 0.927 242 L HN 0.425 nan 8.230 nan 0.000 0.447 243 A N -0.399 122.430 122.820 0.014 0.000 1.935 243 A HA 0.132 4.452 4.320 0.001 0.000 0.214 243 A C 2.352 179.917 177.584 -0.031 0.000 1.178 243 A CA 1.284 53.303 52.037 -0.031 0.000 0.640 243 A CB -0.227 18.716 19.000 -0.095 0.000 0.825 243 A HN 0.336 nan 8.150 nan 0.000 0.447 244 A N -1.409 121.395 122.820 -0.026 0.000 2.035 244 A HA 0.294 4.615 4.320 0.001 0.000 0.208 244 A C 1.138 178.726 177.584 0.007 0.000 1.206 244 A CA 0.777 52.797 52.037 -0.028 0.000 0.773 244 A CB -0.503 18.469 19.000 -0.046 0.000 0.878 244 A HN 0.262 nan 8.150 nan 0.000 0.469 245 T N 2.728 117.302 114.554 0.034 0.000 2.817 245 T HA 0.333 4.683 4.350 0.001 0.000 0.295 245 T C -0.128 174.626 174.700 0.091 0.000 0.958 245 T CA 0.156 62.299 62.100 0.071 0.000 1.157 245 T CB 0.140 69.055 68.868 0.078 0.000 0.898 245 T HN 0.609 nan 8.240 nan 0.000 0.536 246 E N 4.603 124.855 120.200 0.087 0.000 2.175 246 E HA 0.450 4.800 4.350 0.001 0.000 0.278 246 E C -2.770 173.875 176.600 0.076 0.000 0.969 246 E CA -2.592 53.848 56.400 0.066 0.000 0.796 246 E CB 1.090 30.805 29.700 0.025 0.000 1.104 246 E HN 0.229 nan 8.360 nan 0.000 0.395 247 P HA -0.011 nan 4.420 nan 0.000 0.276 247 P C 0.319 177.545 177.300 -0.123 0.000 1.230 247 P CA -0.452 62.601 63.100 -0.078 0.000 0.776 247 P CB 1.616 33.293 31.700 -0.038 0.000 0.888 248 V N 1.556 121.342 119.914 -0.213 0.000 3.174 248 V HA 0.019 4.139 4.120 0.001 0.000 0.254 248 V C 1.414 177.428 176.094 -0.135 0.000 1.120 248 V CA 1.674 63.887 62.300 -0.145 0.000 1.114 248 V CB -0.408 31.330 31.823 -0.142 0.000 0.756 248 V HN 0.725 nan 8.190 nan 0.000 0.467 249 T N -3.604 110.844 114.554 -0.177 0.000 2.926 249 T HA 0.461 4.811 4.350 0.001 0.000 0.289 249 T C 0.613 175.253 174.700 -0.100 0.000 1.054 249 T CA -0.305 61.719 62.100 -0.126 0.000 1.015 249 T CB 2.476 71.263 68.868 -0.136 0.000 1.167 249 T HN -0.039 nan 8.240 nan 0.000 0.526 250 E N 0.606 120.768 120.200 -0.063 0.000 2.106 250 E HA -0.124 4.227 4.350 0.001 0.000 0.192 250 E C 2.254 178.835 176.600 -0.033 0.000 0.984 250 E CA 1.603 57.979 56.400 -0.040 0.000 0.806 250 E CB -0.214 29.471 29.700 -0.026 0.000 0.750 250 E HN 0.735 nan 8.360 nan 0.000 0.458 251 R N -0.051 120.425 120.500 -0.040 0.000 2.115 251 R HA 0.076 4.417 4.340 0.001 0.000 0.230 251 R C 2.251 178.545 176.300 -0.011 0.000 1.111 251 R CA 1.330 57.419 56.100 -0.018 0.000 0.976 251 R CB -0.587 29.705 30.300 -0.014 0.000 0.870 251 R HN 0.115 nan 8.270 nan 0.000 0.445 252 A N 1.626 124.391 122.820 -0.093 0.000 1.898 252 A HA 0.021 4.342 4.320 0.001 0.000 0.216 252 A C 2.554 180.173 177.584 0.058 0.000 1.181 252 A CA 1.478 53.432 52.037 -0.138 0.000 0.620 252 A CB -0.795 17.802 19.000 -0.672 0.000 0.819 252 A HN 0.538 nan 8.150 nan 0.000 0.442 253 A N -0.276 122.544 122.820 0.001 0.000 1.877 253 A HA -0.217 4.104 4.320 0.001 0.000 0.216 253 A C 2.046 179.661 177.584 0.052 0.000 1.186 253 A CA 1.893 53.953 52.037 0.038 0.000 0.620 253 A CB -0.603 18.401 19.000 0.006 0.000 0.822 253 A HN 0.669 nan 8.150 nan 0.000 0.443 254 E N -0.257 119.965 120.200 0.036 0.000 2.110 254 E HA -0.122 4.228 4.350 0.001 0.000 0.193 254 E C 2.118 178.745 176.600 0.046 0.000 0.988 254 E CA 1.017 57.438 56.400 0.034 0.000 0.804 254 E CB -0.252 29.462 29.700 0.023 0.000 0.745 254 E HN 0.545 nan 8.360 nan 0.000 0.458 255 A N 0.983 123.848 122.820 0.075 0.000 1.902 255 A HA -0.144 4.176 4.320 0.001 0.000 0.217 255 A C 2.189 179.799 177.584 0.042 0.000 1.181 255 A CA 1.081 53.163 52.037 0.076 0.000 0.623 255 A CB -0.633 18.462 19.000 0.158 0.000 0.818 255 A HN 0.307 nan 8.150 nan 0.000 0.443 256 L N -1.102 120.181 121.223 0.099 0.000 2.083 256 L HA -0.192 4.148 4.340 0.001 0.000 0.209 256 L C 2.889 179.768 176.870 0.015 0.000 1.083 256 L CA 1.353 56.223 54.840 0.050 0.000 0.752 256 L CB -0.481 41.651 42.059 0.122 0.000 0.899 256 L HN 0.374 nan 8.230 nan 0.000 0.433 257 R N -0.136 120.382 120.500 0.030 0.000 2.081 257 R HA -0.208 4.132 4.340 0.001 0.000 0.235 257 R C 2.216 178.515 176.300 -0.001 0.000 1.131 257 R CA 1.626 57.738 56.100 0.020 0.000 0.960 257 R CB -0.265 30.049 30.300 0.022 0.000 0.856 257 R HN 0.409 nan 8.270 nan 0.000 0.436 258 E N 0.734 120.936 120.200 0.004 0.000 2.106 258 E HA -0.186 4.164 4.350 0.001 0.000 0.192 258 E C 1.956 178.570 176.600 0.023 0.000 0.984 258 E CA 0.642 57.064 56.400 0.037 0.000 0.806 258 E CB 0.055 29.793 29.700 0.063 0.000 0.750 258 E HN 0.083 nan 8.360 nan 0.000 0.458 259 L N 1.410 122.554 121.223 -0.131 0.000 1.989 259 L HA -0.245 4.096 4.340 0.001 0.000 0.211 259 L C 2.516 179.066 176.870 -0.535 0.000 1.071 259 L CA 2.183 56.774 54.840 -0.416 0.000 0.749 259 L CB -0.771 41.009 42.059 -0.465 0.000 0.890 259 L HN 0.177 nan 8.230 nan 0.000 0.431 260 Q N -0.126 119.549 119.800 -0.209 0.000 2.096 260 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 260 Q C 2.122 178.139 176.000 0.027 0.000 0.982 260 Q CA 2.386 58.205 55.803 0.026 0.000 0.850 260 Q CB -0.665 28.147 28.738 0.122 0.000 0.901 260 Q HN 0.575 nan 8.270 nan 0.000 0.422 261 A N -0.429 122.362 122.820 -0.048 0.000 1.883 261 A HA -0.246 4.075 4.320 0.001 0.000 0.217 261 A C 1.867 179.338 177.584 -0.189 0.000 1.186 261 A CA 1.972 53.940 52.037 -0.115 0.000 0.624 261 A CB -1.028 17.852 19.000 -0.200 0.000 0.822 261 A HN 0.687 nan 8.150 nan 0.000 0.444 262 H N -2.241 116.754 119.070 -0.126 0.000 2.428 262 H HA 0.037 4.593 4.556 0.001 0.000 0.296 262 H C 1.728 177.012 175.328 -0.074 0.000 1.062 262 H CA 1.452 57.425 56.048 -0.124 0.000 1.350 262 H CB -0.178 29.473 29.762 -0.185 0.000 1.403 262 H HN 0.474 nan 8.280 nan 0.000 0.533 263 F N 0.806 120.694 119.950 -0.103 0.000 2.069 263 F HA -0.202 4.325 4.527 0.001 0.000 0.298 263 F C 2.326 177.948 175.800 -0.297 0.000 1.113 263 F CA 1.669 59.439 58.000 -0.382 0.000 1.214 263 F CB -0.921 37.643 39.000 -0.727 0.000 0.978 263 F HN 0.211 nan 8.300 nan 0.000 0.474 264 D N -0.369 120.127 120.400 0.161 0.000 2.123 264 D HA -0.152 4.488 4.640 0.001 0.000 0.196 264 D C 2.162 178.540 176.300 0.129 0.000 0.992 264 D CA 1.370 55.527 54.000 0.261 0.000 0.833 264 D CB -0.144 40.797 40.800 0.235 0.000 0.954 264 D HN 0.154 nan 8.370 nan 0.000 0.455 265 A N -0.699 122.153 122.820 0.053 0.000 1.968 265 A HA -0.062 4.259 4.320 0.001 0.000 0.217 265 A C 2.217 179.826 177.584 0.042 0.000 1.169 265 A CA 2.066 54.118 52.037 0.025 0.000 0.638 265 A CB -0.659 18.323 19.000 -0.031 0.000 0.812 265 A HN 0.428 nan 8.150 nan 0.000 0.446 266 T N -3.456 111.128 114.554 0.050 0.000 3.054 266 T HA 0.592 4.943 4.350 0.001 0.000 0.255 266 T C 0.675 175.390 174.700 0.025 0.000 1.035 266 T CA 0.414 62.539 62.100 0.041 0.000 0.941 266 T CB -0.239 68.661 68.868 0.053 0.000 1.026 266 T HN 0.559 nan 8.240 nan 0.000 0.533 267 A N 1.507 124.346 122.820 0.032 0.000 2.462 267 A HA 0.572 4.893 4.320 0.001 0.000 0.243 267 A C 0.225 177.826 177.584 0.027 0.000 1.076 267 A CA -0.388 51.673 52.037 0.040 0.000 0.773 267 A CB 0.187 19.299 19.000 0.187 0.000 1.010 267 A HN 0.375 nan 8.150 nan 0.000 0.493 268 V N 2.620 122.526 119.914 -0.013 0.000 2.432 268 V HA 0.368 4.489 4.120 0.001 0.000 0.275 268 V C 0.465 176.394 176.094 -0.275 0.000 1.043 268 V CA -0.178 62.028 62.300 -0.156 0.000 0.925 268 V CB 1.267 32.967 31.823 -0.205 0.000 0.985 268 V HN 0.915 nan 8.190 nan 0.000 0.466 269 T N 5.034 119.427 114.554 -0.269 0.000 2.771 269 T HA 0.486 4.836 4.350 0.001 0.000 0.281 269 T C -0.486 174.043 174.700 -0.286 0.000 0.982 269 T CA -0.365 61.621 62.100 -0.190 0.000 0.978 269 T CB 0.215 69.057 68.868 -0.043 0.000 0.930 269 T HN 0.702 nan 8.240 nan 0.000 0.447 270 H N 2.393 121.477 119.070 0.023 0.000 2.539 270 H HA 0.378 4.935 4.556 0.001 0.000 0.332 270 H C -0.124 175.198 175.328 -0.011 0.000 1.031 270 H CA -0.756 55.296 56.048 0.007 0.000 1.206 270 H CB 1.728 31.494 29.762 0.006 0.000 1.446 270 H HN 0.372 nan 8.280 nan 0.000 0.496 271 R N 4.433 124.981 120.500 0.079 0.000 2.204 271 R HA 0.271 4.611 4.340 0.001 0.000 0.341 271 R C -0.540 175.775 176.300 0.024 0.000 1.035 271 R CA -0.524 55.591 56.100 0.024 0.000 0.887 271 R CB 0.226 30.522 30.300 -0.007 0.000 1.114 271 R HN 0.524 nan 8.270 nan 0.000 0.473 272 L N 5.344 126.572 121.223 0.009 0.000 2.436 272 L HA 0.302 4.642 4.340 0.001 0.000 0.265 272 L C 0.019 176.878 176.870 -0.019 0.000 1.168 272 L CA -0.310 54.526 54.840 -0.007 0.000 0.815 272 L CB 0.777 42.819 42.059 -0.027 0.000 1.109 272 L HN 0.494 nan 8.230 nan 0.000 0.462 273 L N 2.341 123.551 121.223 -0.021 0.000 2.319 273 L HA 0.520 4.860 4.340 0.001 0.000 0.267 273 L C -2.320 174.528 176.870 -0.037 0.000 1.011 273 L CA -2.235 52.591 54.840 -0.024 0.000 0.818 273 L CB 1.762 43.811 42.059 -0.017 0.000 1.316 273 L HN 0.300 nan 8.230 nan 0.000 0.432 274 P HA 0.029 nan 4.420 nan 0.000 0.262 274 P C 0.629 177.891 177.300 -0.062 0.000 1.182 274 P CA 0.903 63.968 63.100 -0.059 0.000 0.761 274 P CB 0.508 32.179 31.700 -0.049 0.000 0.795 275 G N 1.584 110.335 108.800 -0.082 0.000 2.179 275 G HA2 -0.233 3.728 3.960 0.001 0.000 0.260 275 G HA3 -0.233 3.728 3.960 0.001 0.000 0.260 275 G C -0.094 174.768 174.900 -0.063 0.000 0.977 275 G CA -0.279 44.774 45.100 -0.078 0.000 0.641 275 G HN 0.567 nan 8.290 nan 0.000 0.533 276 E N -0.466 119.698 120.200 -0.059 0.000 2.216 276 E HA 0.601 4.951 4.350 0.001 0.000 0.279 276 E C -0.724 175.838 176.600 -0.064 0.000 0.997 276 E CA -0.851 55.518 56.400 -0.053 0.000 0.817 276 E CB 2.107 31.782 29.700 -0.042 0.000 1.096 276 E HN 0.188 nan 8.360 nan 0.000 0.393 277 L N 2.415 123.600 121.223 -0.064 0.000 2.342 277 L HA 0.479 4.820 4.340 0.001 0.000 0.276 277 L C -1.093 175.709 176.870 -0.113 0.000 0.997 277 L CA -0.417 54.378 54.840 -0.076 0.000 0.838 277 L CB 1.242 43.274 42.059 -0.044 0.000 1.224 277 L HN 0.581 nan 8.230 nan 0.000 0.416 278 A N 6.554 129.291 122.820 -0.137 0.000 2.301 278 A HA 0.757 5.078 4.320 0.001 0.000 0.298 278 A C -0.525 176.959 177.584 -0.167 0.000 1.185 278 A CA -0.358 51.564 52.037 -0.192 0.000 0.830 278 A CB 0.142 18.990 19.000 -0.254 0.000 1.112 278 A HN 0.689 nan 8.150 nan 0.000 0.508 279 I N 3.257 123.705 120.570 -0.203 0.000 2.418 279 I HA 0.335 4.505 4.170 0.001 0.000 0.287 279 I C -0.812 175.312 176.117 0.012 0.000 1.008 279 I CA -0.777 60.440 61.300 -0.138 0.000 1.104 279 I CB 1.886 39.703 38.000 -0.304 0.000 1.264 279 I HN 0.269 nan 8.210 nan 0.000 0.438 280 V N 4.457 124.458 119.914 0.146 0.000 2.398 280 V HA 0.205 4.325 4.120 0.001 0.000 0.286 280 V C -0.062 176.263 176.094 0.386 0.000 1.026 280 V CA -0.573 61.852 62.300 0.209 0.000 0.868 280 V CB 1.885 33.733 31.823 0.043 0.000 0.982 280 V HN 0.636 nan 8.190 nan 0.000 0.443 281 D N 3.783 124.424 120.400 0.402 0.000 2.359 281 D HA 0.034 4.675 4.640 0.001 0.000 0.250 281 D C 0.940 177.232 176.300 -0.014 0.000 1.264 281 D CA 0.142 54.257 54.000 0.192 0.000 0.911 281 D CB 0.494 41.350 40.800 0.095 0.000 1.056 281 D HN 0.542 nan 8.370 nan 0.000 0.499 282 N N 2.884 121.529 118.700 -0.092 0.000 2.550 282 N HA -0.063 4.677 4.740 0.001 0.000 0.186 282 N C 1.234 176.661 175.510 -0.137 0.000 1.110 282 N CA 0.540 53.537 53.050 -0.089 0.000 0.912 282 N CB 0.220 38.654 38.487 -0.088 0.000 0.968 282 N HN 0.224 nan 8.380 nan 0.000 0.448 283 R N -0.969 119.420 120.500 -0.185 0.000 2.119 283 R HA 0.068 4.409 4.340 0.001 0.000 0.222 283 R C 1.630 177.856 176.300 -0.122 0.000 1.088 283 R CA 1.150 57.152 56.100 -0.162 0.000 0.984 283 R CB 0.061 30.250 30.300 -0.186 0.000 0.884 283 R HN 0.276 nan 8.270 nan 0.000 0.447 284 V N -5.173 114.677 119.914 -0.106 0.000 3.502 284 V HA 0.379 4.499 4.120 0.001 0.000 0.288 284 V C 0.049 176.097 176.094 -0.076 0.000 1.461 284 V CA -0.181 62.070 62.300 -0.082 0.000 1.029 284 V CB 0.985 32.764 31.823 -0.072 0.000 0.843 284 V HN -0.071 nan 8.190 nan 0.000 0.438 285 T N 2.504 117.010 114.554 -0.080 0.000 2.881 285 T HA 0.677 5.028 4.350 0.001 0.000 0.290 285 T C -0.473 174.151 174.700 -0.128 0.000 1.000 285 T CA -0.184 61.857 62.100 -0.097 0.000 0.978 285 T CB 2.209 71.066 68.868 -0.019 0.000 0.997 285 T HN 0.568 nan 8.240 nan 0.000 0.443 286 V N 1.513 121.251 119.914 -0.293 0.000 2.716 286 V HA 0.779 4.899 4.120 0.001 0.000 0.304 286 V C -0.226 175.803 176.094 -0.109 0.000 1.053 286 V CA -0.755 61.355 62.300 -0.318 0.000 0.984 286 V CB 1.303 32.734 31.823 -0.653 0.000 1.021 286 V HN 1.036 nan 8.190 nan 0.000 0.467 287 H N 1.261 120.222 119.070 -0.181 0.000 2.894 287 H HA 0.941 5.497 4.556 0.001 0.000 0.368 287 H C -0.279 174.966 175.328 -0.139 0.000 1.181 287 H CA -0.407 55.608 56.048 -0.055 0.000 1.146 287 H CB 1.963 31.668 29.762 -0.095 0.000 1.839 287 H HN 1.110 nan 8.280 nan 0.000 0.557 288 G N -0.126 108.647 108.800 -0.046 0.000 2.706 288 G HA2 0.504 4.464 3.960 0.001 0.000 0.307 288 G HA3 0.504 4.464 3.960 0.001 0.000 0.307 288 G C -1.557 173.313 174.900 -0.049 0.000 1.307 288 G CA -1.134 43.836 45.100 -0.217 0.000 0.790 288 G HN 0.763 nan 8.290 nan 0.000 0.503 289 R N -0.485 119.969 120.500 -0.077 0.000 2.594 289 R HA 0.549 4.890 4.340 0.001 0.000 0.265 289 R C -0.068 176.239 176.300 0.012 0.000 1.070 289 R CA -0.267 55.846 56.100 0.022 0.000 0.909 289 R CB 1.733 32.101 30.300 0.113 0.000 1.243 289 R HN 0.933 nan 8.270 nan 0.000 0.455 290 T N -0.566 114.014 114.554 0.042 0.000 2.860 290 T HA 0.125 4.476 4.350 0.001 0.000 0.299 290 T C 0.291 175.092 174.700 0.168 0.000 1.045 290 T CA -0.645 61.494 62.100 0.065 0.000 1.071 290 T CB 1.140 70.042 68.868 0.057 0.000 0.985 290 T HN 0.614 nan 8.240 nan 0.000 0.537 291 E N 0.982 121.263 120.200 0.135 0.000 2.373 291 E HA 0.434 4.784 4.350 0.001 0.000 0.267 291 E C -0.787 175.975 176.600 0.270 0.000 1.032 291 E CA -0.759 55.732 56.400 0.152 0.000 0.889 291 E CB 0.291 30.028 29.700 0.061 0.000 0.984 291 E HN 0.627 nan 8.360 nan 0.000 0.425 292 F N -0.325 119.626 119.950 0.001 0.000 2.685 292 F HA 0.478 5.005 4.527 0.001 0.000 0.315 292 F C -1.139 174.646 175.800 -0.024 0.000 1.126 292 F CA -1.079 56.913 58.000 -0.012 0.000 0.950 292 F CB 1.560 40.550 39.000 -0.017 0.000 1.360 292 F HN 0.068 nan 8.300 nan 0.000 0.469 293 T N 2.751 117.289 114.554 -0.026 0.000 2.929 293 T HA 0.415 4.765 4.350 0.001 0.000 0.331 293 T C -2.684 171.913 174.700 -0.171 0.000 1.120 293 T CA -1.187 60.824 62.100 -0.148 0.000 0.973 293 T CB 0.628 69.471 68.868 -0.042 0.000 1.036 293 T HN 0.290 nan 8.240 nan 0.000 0.502 294 P HA 0.250 nan 4.420 nan 0.000 0.269 294 P C 0.718 177.718 177.300 -0.500 0.000 1.209 294 P CA -0.409 62.363 63.100 -0.547 0.000 0.776 294 P CB 0.937 31.886 31.700 -1.252 0.000 0.876 295 R N 1.282 121.609 120.500 -0.288 0.000 2.153 295 R HA -0.020 4.320 4.340 0.001 0.000 0.218 295 R C 0.117 176.383 176.300 -0.057 0.000 1.072 295 R CA 0.437 56.461 56.100 -0.126 0.000 0.990 295 R CB -0.502 29.776 30.300 -0.037 0.000 0.889 295 R HN 0.486 nan 8.270 nan 0.000 0.452 296 Y N 0.985 121.291 120.300 0.009 0.000 3.491 296 Y HA -0.223 4.327 4.550 0.000 0.000 0.215 296 Y C 0.087 175.979 175.900 -0.013 0.000 1.219 296 Y CA 0.781 58.873 58.100 -0.012 0.000 1.485 296 Y CB -2.280 36.164 38.460 -0.027 0.000 1.450 296 Y HN 0.384 nan 8.280 nan 0.000 0.603 297 D N -1.817 118.635 120.400 0.087 0.000 2.535 297 D HA 0.414 5.054 4.640 0.001 0.000 0.229 297 D C 1.591 177.913 176.300 0.036 0.000 1.238 297 D CA 0.337 54.372 54.000 0.057 0.000 0.824 297 D CB 0.191 41.016 40.800 0.042 0.000 1.045 297 D HN 0.508 nan 8.370 nan 0.000 0.500 298 G N 0.635 109.453 108.800 0.029 0.000 2.179 298 G HA2 -0.328 3.632 3.960 0.001 0.000 0.260 298 G HA3 -0.328 3.632 3.960 0.001 0.000 0.260 298 G C 0.978 175.895 174.900 0.028 0.000 0.977 298 G CA 0.819 45.924 45.100 0.008 0.000 0.641 298 G HN 0.713 nan 8.290 nan 0.000 0.533 299 T N -2.237 112.339 114.554 0.035 0.000 3.092 299 T HA 0.364 4.715 4.350 0.001 0.000 0.258 299 T C 0.417 175.151 174.700 0.056 0.000 1.031 299 T CA 0.446 62.577 62.100 0.052 0.000 0.925 299 T CB 0.713 69.605 68.868 0.040 0.000 1.036 299 T HN 0.244 nan 8.240 nan 0.000 0.544 300 D N 2.184 122.611 120.400 0.045 0.000 2.360 300 D HA 0.120 4.760 4.640 0.001 0.000 0.242 300 D C 0.467 176.825 176.300 0.096 0.000 1.184 300 D CA -0.385 53.650 54.000 0.058 0.000 0.930 300 D CB 0.723 41.549 40.800 0.043 0.000 1.161 300 D HN 0.271 nan 8.370 nan 0.000 0.447 301 R N 0.612 121.158 120.500 0.077 0.000 2.500 301 R HA -0.121 4.219 4.340 0.001 0.000 0.281 301 R C -0.991 175.428 176.300 0.200 0.000 0.953 301 R CA 0.425 56.568 56.100 0.072 0.000 1.108 301 R CB 0.261 30.515 30.300 -0.078 0.000 0.901 301 R HN 0.379 nan 8.270 nan 0.000 0.410 302 W N 7.818 129.113 121.300 -0.008 0.000 2.631 302 W HA 0.337 4.998 4.660 0.001 0.000 0.321 302 W C -1.914 174.598 176.519 -0.012 0.000 1.004 302 W CA -1.064 56.284 57.345 0.004 0.000 1.291 302 W CB 0.456 29.919 29.460 0.005 0.000 1.300 302 W HN 0.454 nan 8.180 nan 0.000 0.422 303 L N 4.791 126.213 121.223 0.333 0.000 2.330 303 L HA 0.566 4.906 4.340 0.001 0.000 0.271 303 L C 0.245 177.200 176.870 0.143 0.000 1.013 303 L CA -1.108 53.802 54.840 0.116 0.000 0.816 303 L CB 1.986 44.089 42.059 0.074 0.000 1.287 303 L HN 0.212 nan 8.230 nan 0.000 0.435 304 Q N 1.730 121.522 119.800 -0.013 0.000 2.342 304 Q HA 0.544 4.884 4.340 0.001 0.000 0.267 304 Q C -1.076 174.895 176.000 -0.048 0.000 1.038 304 Q CA -0.761 55.035 55.803 -0.010 0.000 0.832 304 Q CB 3.314 32.004 28.738 -0.080 0.000 1.323 304 Q HN 0.412 nan 8.270 nan 0.000 0.448 305 R N 1.060 121.519 120.500 -0.069 0.000 2.599 305 R HA 0.576 4.916 4.340 0.001 0.000 0.295 305 R C -1.352 174.807 176.300 -0.235 0.000 0.963 305 R CA -0.132 55.885 56.100 -0.138 0.000 0.883 305 R CB 1.694 31.905 30.300 -0.148 0.000 1.171 305 R HN 0.556 nan 8.270 nan 0.000 0.450 306 T N 4.260 118.683 114.554 -0.218 0.000 2.916 306 T HA 0.446 4.797 4.350 0.001 0.000 0.298 306 T C -1.193 173.446 174.700 -0.102 0.000 1.031 306 T CA -0.420 61.545 62.100 -0.225 0.000 0.993 306 T CB 0.638 69.437 68.868 -0.114 0.000 1.045 306 T HN 0.251 nan 8.240 nan 0.000 0.454 307 F N 1.768 121.753 119.950 0.058 0.000 2.379 307 F HA 0.619 5.147 4.527 0.001 0.000 0.332 307 F C 0.294 176.131 175.800 0.061 0.000 1.096 307 F CA -1.263 56.789 58.000 0.086 0.000 1.105 307 F CB 0.875 39.960 39.000 0.141 0.000 1.189 307 F HN 0.134 nan 8.300 nan 0.000 0.515 308 V N 4.279 124.380 119.914 0.311 0.000 2.540 308 V HA 0.425 4.545 4.120 0.001 0.000 0.302 308 V C -0.308 175.889 176.094 0.173 0.000 1.035 308 V CA -0.858 61.572 62.300 0.217 0.000 0.873 308 V CB 1.869 33.855 31.823 0.272 0.000 0.992 308 V HN 0.497 nan 8.190 nan 0.000 0.428 309 L N 4.097 125.387 121.223 0.112 0.000 2.272 309 L HA 0.359 4.699 4.340 0.001 0.000 0.289 309 L C 1.561 178.472 176.870 0.067 0.000 1.032 309 L CA -0.343 54.534 54.840 0.061 0.000 0.810 309 L CB 1.899 43.975 42.059 0.028 0.000 1.205 309 L HN 0.895 nan 8.230 nan 0.000 0.422 310 T N -2.341 112.243 114.554 0.051 0.000 2.951 310 T HA -0.083 4.268 4.350 0.001 0.000 0.268 310 T C 0.512 175.237 174.700 0.041 0.000 1.073 310 T CA 0.614 62.756 62.100 0.070 0.000 1.134 310 T CB -0.002 68.893 68.868 0.045 0.000 0.884 310 T HN 0.447 nan 8.240 nan 0.000 0.479 311 D N 0.088 120.502 120.400 0.023 0.000 2.363 311 D HA 0.267 4.908 4.640 0.001 0.000 0.258 311 D C 0.616 176.913 176.300 -0.006 0.000 1.259 311 D CA -0.652 53.355 54.000 0.013 0.000 0.921 311 D CB 0.882 41.691 40.800 0.014 0.000 1.201 311 D HN 0.027 nan 8.370 nan 0.000 0.524 312 L N 3.398 124.616 121.223 -0.009 0.000 2.127 312 L HA -0.069 4.271 4.340 0.001 0.000 0.211 312 L C 2.150 178.973 176.870 -0.079 0.000 1.089 312 L CA 1.676 56.491 54.840 -0.041 0.000 0.757 312 L CB -0.245 41.801 42.059 -0.023 0.000 0.899 312 L HN 0.243 nan 8.230 nan 0.000 0.434 313 R N 0.090 120.557 120.500 -0.055 0.000 2.117 313 R HA -0.168 4.172 4.340 0.001 0.000 0.243 313 R C 2.301 178.557 176.300 -0.074 0.000 1.143 313 R CA 1.637 57.702 56.100 -0.059 0.000 0.968 313 R CB -0.390 29.892 30.300 -0.031 0.000 0.863 313 R HN 0.398 nan 8.270 nan 0.000 0.444 314 R N -0.471 119.988 120.500 -0.068 0.000 2.152 314 R HA -0.049 4.292 4.340 0.001 0.000 0.232 314 R C 1.546 177.703 176.300 -0.237 0.000 1.117 314 R CA 1.544 57.611 56.100 -0.055 0.000 0.981 314 R CB -0.165 30.162 30.300 0.045 0.000 0.870 314 R HN 0.364 nan 8.270 nan 0.000 0.451 315 S N -0.026 115.428 115.700 -0.410 0.000 2.597 315 S HA 0.116 4.586 4.470 0.001 0.000 0.224 315 S C 1.423 175.868 174.600 -0.258 0.000 0.955 315 S CA -0.413 57.412 58.200 -0.624 0.000 0.933 315 S CB 0.511 63.337 63.200 -0.623 0.000 0.788 315 S HN 0.064 nan 8.310 nan 0.000 0.488 316 R N 2.706 123.110 120.500 -0.159 0.000 2.117 316 R HA 0.039 4.380 4.340 0.001 0.000 0.243 316 R C 2.091 178.355 176.300 -0.060 0.000 1.143 316 R CA 1.828 57.868 56.100 -0.099 0.000 0.968 316 R CB -1.281 28.976 30.300 -0.072 0.000 0.863 316 R HN 0.500 nan 8.270 nan 0.000 0.444 317 A N -0.237 122.563 122.820 -0.034 0.000 2.070 317 A HA -0.102 4.219 4.320 0.001 0.000 0.220 317 A C 1.875 179.475 177.584 0.026 0.000 1.159 317 A CA 1.661 53.703 52.037 0.008 0.000 0.656 317 A CB -0.374 18.649 19.000 0.038 0.000 0.800 317 A HN 0.434 nan 8.150 nan 0.000 0.453 318 M N -1.296 118.316 119.600 0.021 0.000 2.371 318 M HA 0.159 4.640 4.480 0.001 0.000 0.246 318 M C -0.031 176.283 176.300 0.022 0.000 1.103 318 M CA 0.216 55.554 55.300 0.063 0.000 1.010 318 M CB 0.472 33.158 32.600 0.143 0.000 1.457 318 M HN 0.113 nan 8.290 nan 0.000 0.486 319 R N 1.249 121.734 120.500 -0.026 0.000 2.477 319 R HA 0.341 4.682 4.340 0.001 0.000 0.285 319 R C -2.645 173.626 176.300 -0.047 0.000 1.415 319 R CA -1.681 54.387 56.100 -0.053 0.000 1.446 319 R CB 0.462 30.696 30.300 -0.110 0.000 1.110 319 R HN -0.080 nan 8.270 nan 0.000 0.590 320 P HA -0.111 nan 4.420 nan 0.000 0.265 320 P C 0.233 177.514 177.300 -0.032 0.000 1.187 320 P CA 0.630 63.720 63.100 -0.017 0.000 0.766 320 P CB 0.789 32.489 31.700 0.000 0.000 0.820 321 A N 3.472 126.274 122.820 -0.030 0.000 2.847 321 A HA -0.254 4.066 4.320 0.001 0.000 0.263 321 A C 1.001 178.545 177.584 -0.068 0.000 1.391 321 A CA 1.209 53.225 52.037 -0.035 0.000 0.866 321 A CB -2.664 16.324 19.000 -0.020 0.000 1.057 321 A HN 0.656 nan 8.150 nan 0.000 0.673 322 D N -3.049 117.297 120.400 -0.090 0.000 2.772 322 D HA -0.067 4.573 4.640 0.001 0.000 0.233 322 D C 0.673 176.825 176.300 -0.246 0.000 1.143 322 D CA 2.357 56.270 54.000 -0.145 0.000 0.700 322 D CB -1.257 39.472 40.800 -0.120 0.000 1.076 322 D HN 1.688 nan 8.370 nan 0.000 0.430 323 G N -1.150 107.523 108.800 -0.212 0.000 2.510 323 G HA2 0.376 4.336 3.960 0.001 0.000 0.280 323 G HA3 0.376 4.336 3.960 0.001 0.000 0.280 323 G C 0.318 174.980 174.900 -0.396 0.000 1.386 323 G CA -0.437 44.505 45.100 -0.264 0.000 1.047 323 G HN 0.252 nan 8.290 nan 0.000 0.527 324 Y N -1.438 118.843 120.300 -0.031 0.000 2.467 324 Y HA 0.337 4.887 4.550 0.001 0.000 0.250 324 Y C 0.611 176.462 175.900 -0.082 0.000 1.155 324 Y CA -0.268 57.801 58.100 -0.051 0.000 1.249 324 Y CB 0.717 39.159 38.460 -0.030 0.000 1.146 324 Y HN 0.004 nan 8.280 nan 0.000 0.524 325 V N 2.247 122.182 119.914 0.034 0.000 2.347 325 V HA 0.251 4.372 4.120 0.001 0.000 0.280 325 V C -0.488 175.587 176.094 -0.032 0.000 1.021 325 V CA -0.908 61.390 62.300 -0.004 0.000 0.847 325 V CB 1.152 32.995 31.823 0.033 0.000 0.990 325 V HN -0.019 nan 8.190 nan 0.000 0.444 326 L N 5.015 126.183 121.223 -0.092 0.000 2.290 326 L HA 0.659 5.000 4.340 0.001 0.000 0.284 326 L C 0.984 177.953 176.870 0.165 0.000 1.078 326 L CA 0.952 55.786 54.840 -0.010 0.000 0.815 326 L CB 1.050 43.032 42.059 -0.128 0.000 1.162 326 L HN 0.721 nan 8.230 nan 0.000 0.435 327 G N 1.436 110.344 108.800 0.180 0.000 3.374 327 G HA2 0.798 4.759 3.960 0.001 0.000 0.200 327 G HA3 0.798 4.759 3.960 0.001 0.000 0.200 327 G C -0.556 174.509 174.900 0.276 0.000 1.801 327 G CA 0.434 45.659 45.100 0.207 0.000 0.842 327 G HN 0.786 nan 8.290 nan 0.000 0.688 328 A N -2.285 120.648 122.820 0.190 0.000 2.548 328 A HA 0.937 5.257 4.320 0.001 0.000 0.282 328 A C 0.245 177.904 177.584 0.124 0.000 1.288 328 A CA 0.474 52.618 52.037 0.178 0.000 0.748 328 A CB 0.422 19.512 19.000 0.151 0.000 1.339 328 A HN 2.594 nan 8.150 nan 0.000 0.475 329 A N -1.420 121.460 122.820 0.100 0.000 2.447 329 A HA 0.116 4.436 4.320 0.001 0.000 0.686 329 A C -0.801 176.824 177.584 0.069 0.000 0.169 329 A CA 0.446 52.526 52.037 0.072 0.000 0.110 329 A CB -2.522 16.514 19.000 0.060 0.000 3.968 329 A HN 1.180 nan 8.150 nan 0.000 0.548 330 P HA -0.324 nan 4.420 nan 0.000 0.257 330 P C 0.983 178.306 177.300 0.038 0.000 0.804 330 P CA 2.260 65.386 63.100 0.043 0.000 1.101 330 P CB -0.216 31.509 31.700 0.042 0.000 0.807 331 Q N -4.306 115.516 119.800 0.036 0.000 0.762 331 Q HA -0.116 4.224 4.340 0.001 0.000 0.268 331 Q C -2.160 173.854 176.000 0.024 0.000 1.075 331 Q CA 0.856 56.676 55.803 0.029 0.000 0.565 331 Q CB -2.940 25.815 28.738 0.028 0.000 4.889 331 Q HN 0.391 nan 8.270 nan 0.000 0.348 332 P HA 0.000 nan 4.420 nan 0.000 0.216 332 P CA 0.000 63.111 63.100 0.017 0.000 0.800 332 P CB 0.000 31.709 31.700 0.015 0.000 0.726