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 2xm7_1_A DATA FIRST_RESID 8 DATA SEQUENCE QEFDCERFRA DIRATAAAIG APIAHRLTDT VLEAFRDNFA QGATLWKTTS DATA SEQUENCE QPGDQLSYSF FSRLKMDTVS RAIDAGLLDA AHPTLAVVDA WSSLYGGAPV DATA SEQUENCE QSGDFDAGRG MAKTWLYFGG LRPAEDILTV PALPASVQAR LKDFLALGLA DATA SEQUENCE HVRFAAVDWR HHSANVYFRG KGPLDTVQFA RIHALSGSTP PAAHVVEEVL DATA SEQUENCE AYMPEDYCVA ITLDLHSGDI ERVCFYALKV PKNALPRIPT RIARFLEVAP DATA SEQUENCE SHDVEECNVI GWSFGRSGDY VKAERSYTGN MAEILAGWNC FFHGEEGRDH DATA SEQUENCE DLRALHQ 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 8 Q HA 0.000 nan 4.340 nan 0.000 0.214 8 Q C 0.000 175.897 176.000 -0.171 0.000 1.003 8 Q CA 0.000 55.694 55.803 -0.182 0.000 1.022 8 Q CB 0.000 28.676 28.738 -0.103 0.000 1.108 9 E N -0.958 119.138 120.200 -0.172 0.000 2.267 9 E HA 0.670 5.020 4.350 -0.000 0.000 0.258 9 E C -1.032 175.484 176.600 -0.139 0.000 1.074 9 E CA -1.122 55.212 56.400 -0.109 0.000 0.915 9 E CB 1.043 30.705 29.700 -0.064 0.000 1.186 9 E HN 0.403 nan 8.360 nan 0.000 0.439 10 F N 2.146 121.985 119.950 -0.185 0.000 2.471 10 F HA 0.138 4.665 4.527 -0.000 0.000 0.365 10 F C -0.361 175.376 175.800 -0.104 0.000 1.095 10 F CA 0.047 57.937 58.000 -0.184 0.000 1.174 10 F CB 0.477 39.382 39.000 -0.158 0.000 1.105 10 F HN 0.231 nan 8.300 nan 0.000 0.535 11 D N 4.853 124.748 120.400 -0.842 0.000 2.505 11 D HA 0.176 4.815 4.640 -0.000 0.000 0.249 11 D C 0.187 176.024 176.300 -0.771 0.000 1.082 11 D CA -0.582 53.065 54.000 -0.588 0.000 0.839 11 D CB 1.655 42.273 40.800 -0.302 0.000 1.317 11 D HN 0.665 nan 8.370 nan 0.000 0.497 12 C N 3.203 122.238 119.300 -0.443 0.000 2.457 12 C HA 0.003 4.463 4.460 -0.000 0.000 0.278 12 C C 2.154 177.109 174.990 -0.059 0.000 1.309 12 C CA 0.740 59.654 59.018 -0.174 0.000 1.735 12 C CB -0.768 27.017 27.740 0.075 0.000 1.992 12 C HN 0.824 nan 8.230 nan 0.000 0.493 13 E N 0.644 120.802 120.200 -0.069 0.000 2.107 13 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 13 E C 2.392 178.976 176.600 -0.026 0.000 0.982 13 E CA 1.114 57.490 56.400 -0.039 0.000 0.809 13 E CB -0.384 29.294 29.700 -0.037 0.000 0.756 13 E HN 0.554 nan 8.360 nan 0.000 0.459 14 R N -0.945 119.532 120.500 -0.038 0.000 2.096 14 R HA -0.142 4.197 4.340 -0.000 0.000 0.235 14 R C 2.080 178.471 176.300 0.153 0.000 1.127 14 R CA 1.342 57.459 56.100 0.028 0.000 0.968 14 R CB -0.427 29.868 30.300 -0.008 0.000 0.861 14 R HN 0.246 nan 8.270 nan 0.000 0.440 15 F N 1.702 121.607 119.950 -0.075 0.000 2.134 15 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 15 F C 2.029 177.778 175.800 -0.086 0.000 1.097 15 F CA 1.517 59.491 58.000 -0.043 0.000 1.264 15 F CB -0.336 38.586 39.000 -0.131 0.000 1.001 15 F HN -0.060 nan 8.300 nan 0.000 0.479 16 R N 0.127 120.547 120.500 -0.134 0.000 2.094 16 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 16 R C 2.442 178.660 176.300 -0.137 0.000 1.137 16 R CA 1.685 57.656 56.100 -0.216 0.000 0.943 16 R CB -1.105 29.130 30.300 -0.108 0.000 0.850 16 R HN 0.353 nan 8.270 nan 0.000 0.433 17 A N 1.362 124.152 122.820 -0.050 0.000 1.933 17 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 17 A C 1.580 179.151 177.584 -0.022 0.000 1.175 17 A CA 1.760 53.782 52.037 -0.024 0.000 0.628 17 A CB -0.336 18.664 19.000 0.001 0.000 0.814 17 A HN 0.194 nan 8.150 nan 0.000 0.444 18 D N -0.091 120.330 120.400 0.035 0.000 2.178 18 D HA -0.063 4.576 4.640 -0.000 0.000 0.202 18 D C 1.857 178.100 176.300 -0.096 0.000 0.974 18 D CA 0.878 54.901 54.000 0.039 0.000 0.841 18 D CB -0.273 40.692 40.800 0.275 0.000 0.953 18 D HN 0.533 nan 8.370 nan 0.000 0.478 19 I N 0.766 121.285 120.570 -0.084 0.000 2.142 19 I HA -0.257 3.912 4.170 -0.000 0.000 0.240 19 I C 2.654 178.677 176.117 -0.157 0.000 1.078 19 I CA 1.055 62.255 61.300 -0.167 0.000 1.343 19 I CB -0.151 37.582 38.000 -0.445 0.000 1.046 19 I HN -0.104 nan 8.210 nan 0.000 0.405 20 R N 0.610 121.037 120.500 -0.121 0.000 2.083 20 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 20 R C 2.411 178.666 176.300 -0.074 0.000 1.137 20 R CA 1.796 57.859 56.100 -0.061 0.000 0.951 20 R CB -0.544 29.762 30.300 0.010 0.000 0.851 20 R HN 0.419 nan 8.270 nan 0.000 0.434 21 A N 0.118 122.882 122.820 -0.093 0.000 1.873 21 A HA -0.131 4.188 4.320 -0.000 0.000 0.215 21 A C 2.220 179.713 177.584 -0.153 0.000 1.186 21 A CA 1.942 53.918 52.037 -0.102 0.000 0.616 21 A CB -0.738 18.206 19.000 -0.093 0.000 0.823 21 A HN 0.309 nan 8.150 nan 0.000 0.442 22 T N 0.304 114.708 114.554 -0.250 0.000 2.777 22 T HA 0.038 4.388 4.350 -0.000 0.000 0.266 22 T C 2.222 176.812 174.700 -0.184 0.000 1.040 22 T CA 1.410 63.315 62.100 -0.326 0.000 1.141 22 T CB -0.435 68.020 68.868 -0.688 0.000 0.868 22 T HN 0.579 nan 8.240 nan 0.000 0.444 23 A N 1.609 124.349 122.820 -0.134 0.000 1.908 23 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 23 A C 2.651 180.202 177.584 -0.055 0.000 1.181 23 A CA 1.899 53.897 52.037 -0.065 0.000 0.627 23 A CB -1.142 17.827 19.000 -0.052 0.000 0.818 23 A HN 0.508 nan 8.150 nan 0.000 0.445 24 A N -0.235 122.549 122.820 -0.061 0.000 1.902 24 A HA 0.181 4.500 4.320 -0.000 0.000 0.217 24 A C 2.509 180.065 177.584 -0.046 0.000 1.181 24 A CA 2.043 54.054 52.037 -0.043 0.000 0.623 24 A CB -1.024 17.955 19.000 -0.035 0.000 0.818 24 A HN 1.086 nan 8.150 nan 0.000 0.443 25 A N 0.579 123.359 122.820 -0.066 0.000 1.908 25 A HA -0.099 4.220 4.320 -0.000 0.000 0.218 25 A C 2.008 179.567 177.584 -0.042 0.000 1.181 25 A CA 1.631 53.630 52.037 -0.063 0.000 0.627 25 A CB -0.752 18.190 19.000 -0.097 0.000 0.818 25 A HN 1.035 nan 8.150 nan 0.000 0.445 26 I N -4.628 115.922 120.570 -0.033 0.000 3.793 26 I HA 0.478 4.647 4.170 -0.000 0.000 0.315 26 I C 1.108 177.216 176.117 -0.016 0.000 1.275 26 I CA 0.525 61.820 61.300 -0.008 0.000 1.214 26 I CB -0.155 37.861 38.000 0.027 0.000 1.018 26 I HN 0.373 nan 8.210 nan 0.000 0.439 27 G N 1.736 110.523 108.800 -0.022 0.000 2.212 27 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.255 27 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.255 27 G C 0.106 174.994 174.900 -0.020 0.000 1.062 27 G CA 0.010 45.099 45.100 -0.020 0.000 0.815 27 G HN 0.926 nan 8.290 nan 0.000 0.497 28 A N -0.188 122.620 122.820 -0.021 0.000 2.306 28 A HA 0.967 5.287 4.320 -0.000 0.000 0.330 28 A C -1.704 175.868 177.584 -0.020 0.000 1.146 28 A CA -1.462 50.564 52.037 -0.018 0.000 0.827 28 A CB 1.207 20.201 19.000 -0.009 0.000 1.178 28 A HN 0.184 nan 8.150 nan 0.000 0.490 29 P HA 0.516 nan 4.420 nan 0.000 0.274 29 P C -0.952 176.321 177.300 -0.044 0.000 1.246 29 P CA -0.131 62.955 63.100 -0.024 0.000 0.795 29 P CB 0.597 32.290 31.700 -0.011 0.000 1.006 30 I N 0.117 120.632 120.570 -0.090 0.000 2.582 30 I HA 0.618 4.788 4.170 -0.000 0.000 0.292 30 I C -1.372 174.613 176.117 -0.219 0.000 1.066 30 I CA -0.889 60.300 61.300 -0.186 0.000 1.053 30 I CB 1.789 39.597 38.000 -0.318 0.000 1.241 30 I HN 0.362 nan 8.210 nan 0.000 0.421 31 A N 6.147 128.856 122.820 -0.185 0.000 2.431 31 A HA 0.423 4.743 4.320 -0.000 0.000 0.318 31 A C 0.284 177.794 177.584 -0.123 0.000 1.330 31 A CA -0.456 51.512 52.037 -0.114 0.000 0.804 31 A CB -0.112 18.886 19.000 -0.005 0.000 1.135 31 A HN 0.877 nan 8.150 nan 0.000 0.483 32 H N 2.218 121.295 119.070 0.011 0.000 2.299 32 H HA -0.110 4.446 4.556 -0.000 0.000 0.302 32 H C 1.715 177.044 175.328 0.001 0.000 1.078 32 H CA 2.139 58.183 56.048 -0.006 0.000 1.323 32 H CB 0.190 29.944 29.762 -0.014 0.000 1.381 32 H HN 0.755 nan 8.280 nan 0.000 0.498 33 R N 0.330 120.909 120.500 0.132 0.000 2.090 33 R HA -0.059 4.280 4.340 -0.000 0.000 0.228 33 R C 2.373 178.715 176.300 0.070 0.000 1.110 33 R CA 0.646 56.796 56.100 0.083 0.000 0.973 33 R CB -0.598 29.741 30.300 0.065 0.000 0.869 33 R HN 0.112 nan 8.270 nan 0.000 0.440 34 L N 1.675 122.941 121.223 0.072 0.000 2.046 34 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 34 L C 1.956 178.890 176.870 0.106 0.000 1.077 34 L CA 1.948 56.840 54.840 0.087 0.000 0.747 34 L CB -0.739 41.374 42.059 0.090 0.000 0.896 34 L HN 0.087 nan 8.230 nan 0.000 0.432 35 T N -0.523 114.082 114.554 0.085 0.000 2.746 35 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 35 T C 1.474 176.193 174.700 0.031 0.000 1.039 35 T CA 1.493 63.635 62.100 0.071 0.000 1.142 35 T CB -0.353 68.498 68.868 -0.029 0.000 0.866 35 T HN 0.384 nan 8.240 nan 0.000 0.444 36 D N 1.071 121.488 120.400 0.028 0.000 2.149 36 D HA -0.082 4.557 4.640 -0.000 0.000 0.198 36 D C 2.297 178.626 176.300 0.048 0.000 0.990 36 D CA 1.309 55.325 54.000 0.026 0.000 0.839 36 D CB -0.601 40.216 40.800 0.029 0.000 0.948 36 D HN 0.370 nan 8.370 nan 0.000 0.460 37 T N 0.736 115.326 114.554 0.061 0.000 2.708 37 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 37 T C 2.331 177.084 174.700 0.088 0.000 1.037 37 T CA 0.814 62.951 62.100 0.061 0.000 1.146 37 T CB -0.422 68.484 68.868 0.065 0.000 0.865 37 T HN -0.014 nan 8.240 nan 0.000 0.435 38 V N 1.360 121.358 119.914 0.139 0.000 2.287 38 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 38 V C 2.486 178.751 176.094 0.285 0.000 1.053 38 V CA 1.427 63.849 62.300 0.203 0.000 1.027 38 V CB -0.724 31.169 31.823 0.117 0.000 0.646 38 V HN 0.298 nan 8.190 nan 0.000 0.447 39 L N -0.118 121.233 121.223 0.214 0.000 2.083 39 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 39 L C 2.486 179.484 176.870 0.212 0.000 1.083 39 L CA 2.044 57.033 54.840 0.249 0.000 0.752 39 L CB -0.846 41.269 42.059 0.093 0.000 0.899 39 L HN 0.462 nan 8.230 nan 0.000 0.433 40 E N -0.669 119.597 120.200 0.110 0.000 2.072 40 E HA -0.192 4.157 4.350 -0.000 0.000 0.191 40 E C 2.175 178.768 176.600 -0.011 0.000 0.985 40 E CA 0.983 57.415 56.400 0.054 0.000 0.801 40 E CB 0.028 29.741 29.700 0.023 0.000 0.750 40 E HN 0.447 nan 8.360 nan 0.000 0.452 41 A N 0.008 122.777 122.820 -0.085 0.000 1.930 41 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 41 A C 1.153 178.430 177.584 -0.513 0.000 1.175 41 A CA 0.910 52.728 52.037 -0.365 0.000 0.627 41 A CB -0.205 18.455 19.000 -0.566 0.000 0.815 41 A HN 0.320 nan 8.150 nan 0.000 0.443 42 F N -1.351 118.643 119.950 0.075 0.000 2.805 42 F HA 0.356 4.883 4.527 -0.000 0.000 0.317 42 F C 1.545 177.353 175.800 0.014 0.000 1.146 42 F CA -0.805 57.163 58.000 -0.053 0.000 1.265 42 F CB 0.039 38.952 39.000 -0.145 0.000 0.992 42 F HN 0.090 nan 8.300 nan 0.000 0.511 43 R N 0.860 121.506 120.500 0.242 0.000 2.112 43 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 43 R C 1.304 177.656 176.300 0.087 0.000 1.137 43 R CA 2.444 58.698 56.100 0.257 0.000 0.944 43 R CB -0.222 30.189 30.300 0.185 0.000 0.857 43 R HN 0.198 nan 8.270 nan 0.000 0.435 44 D N -0.155 120.244 120.400 -0.003 0.000 2.144 44 D HA -0.119 4.520 4.640 -0.000 0.000 0.199 44 D C 1.600 177.778 176.300 -0.203 0.000 0.984 44 D CA 1.333 55.289 54.000 -0.074 0.000 0.834 44 D CB -0.477 40.288 40.800 -0.057 0.000 0.955 44 D HN 0.363 nan 8.370 nan 0.000 0.465 45 N N -0.105 118.385 118.700 -0.350 0.000 2.120 45 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 45 N C 1.602 176.694 175.510 -0.697 0.000 1.024 45 N CA 0.781 53.398 53.050 -0.722 0.000 0.852 45 N CB -0.408 37.182 38.487 -1.495 0.000 1.003 45 N HN 0.132 nan 8.380 nan 0.000 0.424 46 F N 0.894 120.526 119.950 -0.531 0.000 2.146 46 F HA 0.055 4.582 4.527 -0.000 0.000 0.298 46 F C 2.396 177.643 175.800 -0.922 0.000 1.096 46 F CA 0.876 58.498 58.000 -0.629 0.000 1.275 46 F CB -0.688 37.890 39.000 -0.703 0.000 1.008 46 F HN 0.039 nan 8.300 nan 0.000 0.480 47 A N -0.650 121.785 122.820 -0.641 0.000 1.930 47 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 47 A C 2.068 179.527 177.584 -0.208 0.000 1.175 47 A CA 1.518 53.284 52.037 -0.452 0.000 0.627 47 A CB -0.625 18.331 19.000 -0.074 0.000 0.815 47 A HN 0.451 nan 8.150 nan 0.000 0.443 48 Q N -0.802 118.892 119.800 -0.177 0.000 2.398 48 Q HA 0.161 4.501 4.340 -0.000 0.000 0.204 48 Q C 1.252 177.202 176.000 -0.084 0.000 0.932 48 Q CA 0.299 56.042 55.803 -0.100 0.000 0.916 48 Q CB 0.186 28.879 28.738 -0.076 0.000 1.024 48 Q HN 0.635 nan 8.270 nan 0.000 0.504 49 G N 0.182 108.916 108.800 -0.110 0.000 2.606 49 G HA2 0.587 4.546 3.960 -0.000 0.000 0.262 49 G HA3 0.587 4.546 3.960 -0.000 0.000 0.262 49 G C -1.139 173.727 174.900 -0.058 0.000 1.394 49 G CA -0.334 44.745 45.100 -0.036 0.000 1.044 49 G HN 0.203 nan 8.290 nan 0.000 0.553 50 A N -0.443 122.359 122.820 -0.031 0.000 2.274 50 A HA 0.662 4.982 4.320 -0.000 0.000 0.309 50 A C 0.111 177.620 177.584 -0.125 0.000 1.226 50 A CA -0.248 51.729 52.037 -0.099 0.000 0.853 50 A CB 0.504 19.425 19.000 -0.132 0.000 1.146 50 A HN 0.478 nan 8.150 nan 0.000 0.518 51 T N 3.113 117.595 114.554 -0.119 0.000 2.829 51 T HA 0.617 4.967 4.350 -0.000 0.000 0.282 51 T C -0.230 174.349 174.700 -0.202 0.000 0.990 51 T CA -0.086 61.965 62.100 -0.082 0.000 1.028 51 T CB 0.488 69.296 68.868 -0.099 0.000 0.951 51 T HN 0.805 nan 8.240 nan 0.000 0.460 52 L N -0.527 120.510 121.223 -0.309 0.000 2.491 52 L HA 0.876 5.216 4.340 -0.000 0.000 0.254 52 L C -1.838 174.837 176.870 -0.324 0.000 1.048 52 L CA -1.421 53.193 54.840 -0.377 0.000 0.855 52 L CB 1.492 43.330 42.059 -0.369 0.000 1.466 52 L HN 0.590 nan 8.230 nan 0.000 0.409 53 W N 0.108 121.485 121.300 0.128 0.000 2.516 53 W HA 0.812 5.472 4.660 -0.001 0.000 0.343 53 W C -0.545 176.152 176.519 0.295 0.000 1.094 53 W CA -0.478 57.014 57.345 0.245 0.000 1.250 53 W CB 1.741 31.362 29.460 0.268 0.000 1.308 53 W HN 0.280 nan 8.180 nan 0.000 0.588 54 K N 1.320 122.000 120.400 0.466 0.000 2.527 54 K HA 0.739 5.058 4.320 -0.000 0.000 0.260 54 K C -0.854 175.631 176.600 -0.191 0.000 0.937 54 K CA -0.938 55.418 56.287 0.115 0.000 0.826 54 K CB 2.578 35.114 32.500 0.061 0.000 1.359 54 K HN 0.387 nan 8.250 nan 0.000 0.434 55 T N -0.147 114.071 114.554 -0.561 0.000 2.665 55 T HA 0.486 4.836 4.350 -0.000 0.000 0.303 55 T C -1.408 173.059 174.700 -0.388 0.000 1.334 55 T CA -0.375 61.443 62.100 -0.469 0.000 1.011 55 T CB 1.712 70.228 68.868 -0.587 0.000 1.573 55 T HN 0.799 nan 8.240 nan 0.000 0.492 56 T N -1.332 113.034 114.554 -0.313 0.000 2.883 56 T HA 0.544 4.894 4.350 -0.000 0.000 0.284 56 T C 1.230 175.792 174.700 -0.229 0.000 1.041 56 T CA 0.243 62.181 62.100 -0.271 0.000 1.007 56 T CB 1.168 69.768 68.868 -0.447 0.000 1.220 56 T HN 0.727 nan 8.240 nan 0.000 0.552 57 S N -0.782 114.826 115.700 -0.152 0.000 2.603 57 S HA 0.066 4.536 4.470 -0.000 0.000 0.220 57 S C 0.573 175.115 174.600 -0.096 0.000 0.967 57 S CA -0.358 57.786 58.200 -0.094 0.000 0.920 57 S CB -0.713 62.467 63.200 -0.032 0.000 0.773 57 S HN 0.741 nan 8.310 nan 0.000 0.529 58 Q N 2.698 122.392 119.800 -0.177 0.000 2.274 58 Q HA 0.213 4.553 4.340 -0.000 0.000 0.280 58 Q C -2.538 173.401 176.000 -0.102 0.000 1.047 58 Q CA -1.596 54.120 55.803 -0.145 0.000 0.907 58 Q CB -0.202 28.397 28.738 -0.233 0.000 1.171 58 Q HN 0.244 nan 8.270 nan 0.000 0.381 59 P HA -0.074 nan 4.420 nan 0.000 0.265 59 P C 0.541 177.813 177.300 -0.046 0.000 1.193 59 P CA 0.936 64.011 63.100 -0.043 0.000 0.765 59 P CB 0.456 32.142 31.700 -0.024 0.000 0.823 60 G N 1.610 110.385 108.800 -0.041 0.000 2.155 60 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.257 60 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.257 60 G C 0.281 175.153 174.900 -0.046 0.000 0.983 60 G CA 0.041 45.120 45.100 -0.035 0.000 0.676 60 G HN 0.588 nan 8.290 nan 0.000 0.528 61 D N 0.479 120.835 120.400 -0.073 0.000 2.368 61 D HA 0.345 4.984 4.640 -0.000 0.000 0.240 61 D C 1.073 177.337 176.300 -0.060 0.000 1.169 61 D CA -0.174 53.774 54.000 -0.087 0.000 0.906 61 D CB 0.456 41.165 40.800 -0.153 0.000 1.187 61 D HN 0.228 nan 8.370 nan 0.000 0.435 62 Q N 0.713 120.489 119.800 -0.040 0.000 2.369 62 Q HA 0.045 4.385 4.340 -0.000 0.000 0.295 62 Q C -0.277 175.725 176.000 0.003 0.000 1.075 62 Q CA -0.014 55.787 55.803 -0.003 0.000 0.941 62 Q CB 0.525 29.273 28.738 0.018 0.000 1.260 62 Q HN 0.380 nan 8.270 nan 0.000 0.417 63 L N 1.611 122.869 121.223 0.058 0.000 2.281 63 L HA 0.209 4.549 4.340 -0.000 0.000 0.285 63 L C -0.582 176.420 176.870 0.219 0.000 1.074 63 L CA 0.399 55.316 54.840 0.128 0.000 0.817 63 L CB 1.026 43.170 42.059 0.142 0.000 1.168 63 L HN 0.427 nan 8.230 nan 0.000 0.434 64 S N 4.086 119.918 115.700 0.221 0.000 2.608 64 S HA 0.700 5.170 4.470 -0.000 0.000 0.291 64 S C -1.194 173.659 174.600 0.421 0.000 1.146 64 S CA -0.316 58.019 58.200 0.225 0.000 1.043 64 S CB 1.232 64.476 63.200 0.073 0.000 1.037 64 S HN 0.566 nan 8.310 nan 0.000 0.520 65 Y N -1.348 119.120 120.300 0.280 0.000 2.492 65 Y HA 0.852 5.402 4.550 -0.000 0.000 0.346 65 Y C -0.636 175.469 175.900 0.342 0.000 0.997 65 Y CA -1.005 57.245 58.100 0.249 0.000 1.025 65 Y CB 0.940 39.518 38.460 0.196 0.000 1.263 65 Y HN 0.495 nan 8.280 nan 0.000 0.454 66 S N 2.614 118.481 115.700 0.277 0.000 2.627 66 S HA 0.744 5.214 4.470 -0.000 0.000 0.283 66 S C -1.403 173.339 174.600 0.238 0.000 1.127 66 S CA -0.938 57.348 58.200 0.144 0.000 0.863 66 S CB 1.494 64.597 63.200 -0.161 0.000 1.121 66 S HN 0.706 nan 8.310 nan 0.000 0.479 67 F N -0.107 119.870 119.950 0.044 0.000 2.458 67 F HA 0.812 5.339 4.527 -0.000 0.000 0.336 67 F C -1.262 174.593 175.800 0.091 0.000 1.114 67 F CA -1.352 56.595 58.000 -0.089 0.000 0.987 67 F CB 0.390 39.160 39.000 -0.382 0.000 1.130 67 F HN 0.262 nan 8.300 nan 0.000 0.458 68 F N 1.884 121.875 119.950 0.068 0.000 2.391 68 F HA 0.389 4.916 4.527 -0.000 0.000 0.359 68 F C 0.485 176.412 175.800 0.212 0.000 1.122 68 F CA -1.348 56.718 58.000 0.110 0.000 1.120 68 F CB 1.157 40.140 39.000 -0.030 0.000 1.142 68 F HN 0.532 nan 8.300 nan 0.000 0.483 69 S N 4.416 120.424 115.700 0.513 0.000 2.549 69 S HA 0.289 4.758 4.470 -0.000 0.000 0.279 69 S C 1.350 176.101 174.600 0.253 0.000 1.321 69 S CA -0.480 57.945 58.200 0.374 0.000 1.054 69 S CB 1.190 64.615 63.200 0.376 0.000 0.899 69 S HN 0.581 nan 8.310 nan 0.000 0.497 70 R N 0.620 121.201 120.500 0.134 0.000 2.167 70 R HA 0.186 4.525 4.340 -0.000 0.000 0.201 70 R C 0.069 176.419 176.300 0.083 0.000 1.024 70 R CA -0.120 56.038 56.100 0.097 0.000 1.053 70 R CB -0.030 30.294 30.300 0.039 0.000 0.987 70 R HN 0.414 nan 8.270 nan 0.000 0.493 71 L N 2.729 123.981 121.223 0.048 0.000 2.361 71 L HA 0.147 4.487 4.340 -0.000 0.000 0.278 71 L C -0.173 176.741 176.870 0.074 0.000 1.113 71 L CA 0.236 55.096 54.840 0.034 0.000 0.849 71 L CB 0.610 42.655 42.059 -0.023 0.000 1.155 71 L HN -0.172 nan 8.230 nan 0.000 0.452 72 K N 7.705 128.153 120.400 0.081 0.000 2.262 72 K HA 0.602 4.922 4.320 -0.000 0.000 0.282 72 K C -0.732 175.918 176.600 0.082 0.000 1.066 72 K CA -0.403 55.942 56.287 0.097 0.000 0.901 72 K CB 0.447 33.003 32.500 0.092 0.000 1.089 72 K HN 0.877 nan 8.250 nan 0.000 0.476 73 M N 1.046 120.707 119.600 0.101 0.000 3.008 73 M HA 0.314 4.794 4.480 -0.000 0.000 0.271 73 M C -1.416 174.956 176.300 0.120 0.000 1.265 73 M CA -1.022 54.334 55.300 0.095 0.000 0.817 73 M CB 1.264 33.915 32.600 0.085 0.000 1.638 73 M HN 0.215 nan 8.290 nan 0.000 0.479 74 D N 1.890 122.357 120.400 0.111 0.000 2.483 74 D HA 0.184 4.824 4.640 -0.000 0.000 0.220 74 D C 1.058 177.464 176.300 0.176 0.000 1.173 74 D CA 0.380 54.453 54.000 0.122 0.000 0.964 74 D CB 0.912 41.764 40.800 0.086 0.000 1.046 74 D HN 0.758 nan 8.370 nan 0.000 0.517 75 T N -0.672 114.028 114.554 0.243 0.000 2.915 75 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 75 T C 1.953 176.859 174.700 0.343 0.000 1.071 75 T CA 0.772 63.109 62.100 0.395 0.000 1.132 75 T CB -0.165 68.944 68.868 0.401 0.000 0.878 75 T HN 0.127 nan 8.240 nan 0.000 0.479 76 V N 1.641 121.678 119.914 0.205 0.000 2.307 76 V HA -0.142 3.977 4.120 -0.000 0.000 0.245 76 V C 3.070 179.200 176.094 0.060 0.000 1.045 76 V CA 1.962 64.326 62.300 0.106 0.000 1.024 76 V CB -1.105 30.782 31.823 0.107 0.000 0.651 76 V HN 0.636 nan 8.190 nan 0.000 0.449 77 S N -0.040 115.703 115.700 0.073 0.000 2.370 77 S HA -0.278 4.192 4.470 -0.000 0.000 0.226 77 S C 2.197 176.819 174.600 0.036 0.000 1.033 77 S CA 2.025 60.249 58.200 0.040 0.000 1.011 77 S CB -0.307 62.917 63.200 0.041 0.000 0.852 77 S HN 0.505 nan 8.310 nan 0.000 0.457 78 R N 1.570 122.113 120.500 0.073 0.000 2.081 78 R HA 0.116 4.455 4.340 -0.000 0.000 0.235 78 R C 2.254 178.546 176.300 -0.013 0.000 1.131 78 R CA 2.000 58.099 56.100 -0.000 0.000 0.960 78 R CB -1.326 28.970 30.300 -0.007 0.000 0.856 78 R HN 0.407 nan 8.270 nan 0.000 0.436 79 A N 0.367 123.292 122.820 0.175 0.000 1.902 79 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 79 A C 2.331 179.933 177.584 0.030 0.000 1.181 79 A CA 1.633 53.790 52.037 0.199 0.000 0.623 79 A CB -0.574 18.582 19.000 0.260 0.000 0.818 79 A HN 0.379 nan 8.150 nan 0.000 0.443 80 I N -0.129 120.429 120.570 -0.020 0.000 2.142 80 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 80 I C 1.958 178.060 176.117 -0.026 0.000 1.078 80 I CA 1.508 62.781 61.300 -0.044 0.000 1.343 80 I CB -0.585 37.382 38.000 -0.054 0.000 1.046 80 I HN 0.217 nan 8.210 nan 0.000 0.405 81 D N 1.234 121.618 120.400 -0.026 0.000 2.149 81 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 81 D C 1.982 178.261 176.300 -0.035 0.000 1.001 81 D CA 1.848 55.829 54.000 -0.032 0.000 0.849 81 D CB -0.171 40.602 40.800 -0.046 0.000 0.939 81 D HN 0.412 nan 8.370 nan 0.000 0.449 82 A N -0.838 121.956 122.820 -0.044 0.000 2.251 82 A HA 0.437 4.757 4.320 -0.000 0.000 0.209 82 A C 1.680 179.262 177.584 -0.003 0.000 1.187 82 A CA 0.982 52.995 52.037 -0.040 0.000 0.823 82 A CB -0.140 18.813 19.000 -0.078 0.000 0.846 82 A HN 0.266 nan 8.150 nan 0.000 0.486 83 G N -0.976 107.824 108.800 -0.000 0.000 2.147 83 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.244 83 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.244 83 G C 0.630 175.547 174.900 0.028 0.000 1.005 83 G CA 0.548 45.654 45.100 0.010 0.000 0.713 83 G HN 0.480 nan 8.290 nan 0.000 0.515 84 L N -1.518 119.730 121.223 0.042 0.000 2.446 84 L HA 0.508 4.848 4.340 -0.000 0.000 0.219 84 L C 0.809 177.680 176.870 0.003 0.000 1.116 84 L CA 0.294 55.180 54.840 0.076 0.000 0.844 84 L CB 0.296 42.470 42.059 0.192 0.000 0.970 84 L HN 0.294 nan 8.230 nan 0.000 0.457 85 L N -0.599 120.584 121.223 -0.066 0.000 2.464 85 L HA 0.394 4.734 4.340 -0.000 0.000 0.266 85 L C -0.807 175.998 176.870 -0.109 0.000 0.965 85 L CA -0.443 54.288 54.840 -0.182 0.000 0.833 85 L CB 1.708 43.507 42.059 -0.433 0.000 1.296 85 L HN -0.162 nan 8.230 nan 0.000 0.405 86 D N 3.210 123.584 120.400 -0.042 0.000 2.458 86 D HA 0.124 4.764 4.640 -0.000 0.000 0.243 86 D C 0.815 177.107 176.300 -0.013 0.000 1.146 86 D CA 0.714 54.715 54.000 0.002 0.000 0.877 86 D CB 1.968 42.798 40.800 0.050 0.000 1.176 86 D HN 0.806 nan 8.370 nan 0.000 0.461 87 A N 3.462 126.274 122.820 -0.013 0.000 2.172 87 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 87 A C 1.534 179.124 177.584 0.010 0.000 1.154 87 A CA 1.377 53.407 52.037 -0.013 0.000 0.701 87 A CB 0.098 19.092 19.000 -0.010 0.000 0.789 87 A HN 0.552 nan 8.150 nan 0.000 0.465 88 A N -1.368 121.466 122.820 0.022 0.000 2.500 88 A HA 0.243 4.562 4.320 -0.000 0.000 0.267 88 A C 0.577 178.186 177.584 0.042 0.000 1.290 88 A CA -0.397 51.656 52.037 0.026 0.000 0.928 88 A CB -0.512 18.494 19.000 0.010 0.000 1.066 88 A HN 0.520 nan 8.150 nan 0.000 0.516 89 H N 2.020 121.081 119.070 -0.015 0.000 3.004 89 H HA 0.069 4.624 4.556 -0.000 0.000 0.316 89 H C -1.591 173.749 175.328 0.021 0.000 1.014 89 H CA -0.890 55.160 56.048 0.004 0.000 1.454 89 H CB 1.236 30.993 29.762 -0.008 0.000 1.472 89 H HN 0.163 nan 8.280 nan 0.000 0.571 90 P HA -0.047 nan 4.420 nan 0.000 0.230 90 P C 0.770 178.137 177.300 0.111 0.000 1.158 90 P CA 0.730 63.844 63.100 0.025 0.000 0.769 90 P CB 0.286 31.965 31.700 -0.036 0.000 0.807 91 T N -0.506 114.245 114.554 0.328 0.000 3.086 91 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 91 T C 1.622 176.420 174.700 0.163 0.000 1.074 91 T CA -0.057 62.129 62.100 0.143 0.000 0.988 91 T CB -0.406 68.451 68.868 -0.018 0.000 0.988 91 T HN 0.053 nan 8.240 nan 0.000 0.530 92 L N 0.884 122.278 121.223 0.286 0.000 2.083 92 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 92 L C 2.975 179.891 176.870 0.075 0.000 1.083 92 L CA 1.156 56.136 54.840 0.233 0.000 0.752 92 L CB -0.573 41.573 42.059 0.145 0.000 0.899 92 L HN 0.300 nan 8.230 nan 0.000 0.433 93 A N -0.352 122.476 122.820 0.014 0.000 1.908 93 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 93 A C 2.310 179.808 177.584 -0.144 0.000 1.181 93 A CA 1.863 53.871 52.037 -0.048 0.000 0.627 93 A CB -0.771 18.200 19.000 -0.047 0.000 0.818 93 A HN 0.210 nan 8.150 nan 0.000 0.445 94 V N -0.994 118.774 119.914 -0.244 0.000 2.358 94 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 94 V C 2.479 178.205 176.094 -0.615 0.000 1.047 94 V CA 1.834 63.810 62.300 -0.540 0.000 1.035 94 V CB -0.598 30.818 31.823 -0.677 0.000 0.658 94 V HN 0.364 nan 8.190 nan 0.000 0.452 95 V N 0.129 119.852 119.914 -0.319 0.000 2.427 95 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 95 V C 2.246 178.348 176.094 0.014 0.000 1.051 95 V CA 2.425 64.669 62.300 -0.095 0.000 1.048 95 V CB -0.270 31.597 31.823 0.074 0.000 0.666 95 V HN 0.659 nan 8.190 nan 0.000 0.456 96 D N -0.023 120.375 120.400 -0.003 0.000 2.092 96 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 96 D C 2.172 178.476 176.300 0.006 0.000 0.994 96 D CA 1.727 55.736 54.000 0.016 0.000 0.828 96 D CB -0.209 40.594 40.800 0.005 0.000 0.963 96 D HN 0.430 nan 8.370 nan 0.000 0.450 97 A N 0.043 122.826 122.820 -0.061 0.000 1.883 97 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 97 A C 2.099 179.739 177.584 0.092 0.000 1.186 97 A CA 1.552 53.562 52.037 -0.045 0.000 0.624 97 A CB -1.278 17.637 19.000 -0.142 0.000 0.822 97 A HN 0.438 nan 8.150 nan 0.000 0.444 98 W N 0.521 121.826 121.300 0.009 0.000 2.388 98 W HA -0.027 4.632 4.660 -0.000 0.000 0.294 98 W C 2.631 179.202 176.519 0.087 0.000 1.212 98 W CA 0.960 58.355 57.345 0.085 0.000 1.271 98 W CB -1.389 28.161 29.460 0.150 0.000 1.126 98 W HN 0.358 nan 8.180 nan 0.000 0.535 99 S N -0.203 115.640 115.700 0.238 0.000 2.423 99 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 99 S C 1.779 176.430 174.600 0.086 0.000 1.014 99 S CA 1.411 59.684 58.200 0.123 0.000 0.965 99 S CB -0.294 62.960 63.200 0.091 0.000 0.785 99 S HN 0.102 nan 8.310 nan 0.000 0.495 100 S N 0.939 116.679 115.700 0.067 0.000 2.558 100 S HA 0.279 4.749 4.470 -0.000 0.000 0.217 100 S C 0.625 175.206 174.600 -0.033 0.000 0.975 100 S CA -0.091 58.121 58.200 0.020 0.000 0.912 100 S CB -0.153 63.052 63.200 0.007 0.000 0.776 100 S HN 0.345 nan 8.310 nan 0.000 0.526 101 L N 1.506 122.678 121.223 -0.084 0.000 2.482 101 L HA 0.036 4.376 4.340 -0.000 0.000 0.273 101 L C 0.190 176.889 176.870 -0.285 0.000 1.228 101 L CA -0.246 54.376 54.840 -0.364 0.000 0.827 101 L CB -0.356 41.290 42.059 -0.687 0.000 1.099 101 L HN 0.329 nan 8.230 nan 0.000 0.494 102 Y N 0.542 120.839 120.300 -0.006 0.000 3.108 102 Y HA -0.193 4.357 4.550 -0.000 0.000 0.208 102 Y C 1.356 177.251 175.900 -0.008 0.000 1.245 102 Y CA 0.771 58.858 58.100 -0.021 0.000 1.171 102 Y CB -2.530 35.905 38.460 -0.041 0.000 1.331 102 Y HN 0.875 nan 8.280 nan 0.000 0.534 103 G N -1.287 107.549 108.800 0.061 0.000 2.225 103 G HA2 0.096 4.056 3.960 -0.000 0.000 0.267 103 G HA3 0.096 4.056 3.960 -0.000 0.000 0.267 103 G C 1.341 176.270 174.900 0.049 0.000 1.024 103 G CA 1.214 46.342 45.100 0.047 0.000 0.784 103 G HN 2.233 nan 8.290 nan 0.000 0.507 104 G N -2.018 106.813 108.800 0.051 0.000 2.141 104 G HA2 0.119 4.079 3.960 -0.000 0.000 0.242 104 G HA3 0.119 4.079 3.960 -0.000 0.000 0.242 104 G C 1.437 176.374 174.900 0.062 0.000 0.982 104 G CA 1.148 46.279 45.100 0.052 0.000 0.662 104 G HN 2.015 nan 8.290 nan 0.000 0.527 105 A N 0.271 123.142 122.820 0.086 0.000 1.969 105 A HA 0.349 4.669 4.320 -0.000 0.000 0.218 105 A C -0.252 177.344 177.584 0.020 0.000 1.169 105 A CA 1.511 53.583 52.037 0.059 0.000 0.635 105 A CB -0.870 18.165 19.000 0.057 0.000 0.810 105 A HN 0.491 nan 8.150 nan 0.000 0.445 106 P HA 0.249 nan 4.420 nan 0.000 0.266 106 P C -0.762 176.498 177.300 -0.066 0.000 1.193 106 P CA 0.296 63.333 63.100 -0.105 0.000 0.770 106 P CB 0.821 32.448 31.700 -0.122 0.000 0.836 107 V N 3.864 123.733 119.914 -0.075 0.000 2.459 107 V HA 0.221 4.341 4.120 -0.000 0.000 0.295 107 V C 0.254 176.366 176.094 0.031 0.000 1.029 107 V CA -0.564 61.765 62.300 0.049 0.000 0.874 107 V CB 1.356 33.284 31.823 0.175 0.000 0.985 107 V HN 0.462 nan 8.190 nan 0.000 0.438 108 Q N 2.238 122.089 119.800 0.084 0.000 2.286 108 Q HA 0.502 4.842 4.340 -0.000 0.000 0.257 108 Q C -0.268 175.855 176.000 0.205 0.000 0.941 108 Q CA -0.089 55.779 55.803 0.109 0.000 0.912 108 Q CB 1.431 30.247 28.738 0.129 0.000 1.192 108 Q HN 0.806 nan 8.270 nan 0.000 0.410 109 S N 0.145 115.951 115.700 0.175 0.000 2.759 109 S HA 0.864 5.334 4.470 -0.000 0.000 0.310 109 S C -0.414 173.969 174.600 -0.363 0.000 1.123 109 S CA -0.784 57.427 58.200 0.018 0.000 0.959 109 S CB 1.822 65.094 63.200 0.120 0.000 1.172 109 S HN 0.712 nan 8.310 nan 0.000 0.539 110 G N 0.565 108.745 108.800 -1.033 0.000 2.701 110 G HA2 0.586 4.546 3.960 -0.000 0.000 0.300 110 G HA3 0.586 4.546 3.960 -0.000 0.000 0.300 110 G C -2.096 172.215 174.900 -0.983 0.000 1.410 110 G CA -0.561 43.867 45.100 -1.120 0.000 1.014 110 G HN 0.469 nan 8.290 nan 0.000 0.509 111 D N 0.530 120.410 120.400 -0.867 0.000 2.256 111 D HA 0.673 5.312 4.640 -0.000 0.000 0.246 111 D C -0.771 174.927 176.300 -1.003 0.000 1.042 111 D CA 0.125 53.741 54.000 -0.641 0.000 0.841 111 D CB 2.062 42.668 40.800 -0.324 0.000 1.223 111 D HN 0.171 nan 8.370 nan 0.000 0.470 112 F N 0.228 119.958 119.950 -0.367 0.000 2.588 112 F HA 0.324 4.850 4.527 -0.000 0.000 0.314 112 F C 0.160 175.710 175.800 -0.415 0.000 1.069 112 F CA -0.990 56.749 58.000 -0.435 0.000 0.931 112 F CB 1.733 40.312 39.000 -0.701 0.000 1.260 112 F HN -0.072 nan 8.300 nan 0.000 0.465 113 D N 0.614 121.017 120.400 0.005 0.000 2.192 113 D HA 0.457 5.097 4.640 -0.000 0.000 0.246 113 D C 0.647 177.082 176.300 0.226 0.000 1.042 113 D CA -0.302 53.753 54.000 0.091 0.000 0.847 113 D CB 2.112 42.955 40.800 0.071 0.000 1.186 113 D HN 0.619 nan 8.370 nan 0.000 0.461 114 A N 1.950 124.949 122.820 0.297 0.000 2.019 114 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 114 A C 1.826 179.482 177.584 0.119 0.000 1.164 114 A CA 1.774 53.978 52.037 0.277 0.000 0.644 114 A CB -0.355 18.747 19.000 0.169 0.000 0.805 114 A HN 0.596 nan 8.150 nan 0.000 0.449 115 G N -1.702 107.149 108.800 0.086 0.000 2.838 115 G HA2 0.164 4.124 3.960 -0.000 0.000 0.210 115 G HA3 0.164 4.124 3.960 -0.000 0.000 0.210 115 G C 1.326 176.259 174.900 0.055 0.000 1.153 115 G CA 0.289 45.413 45.100 0.040 0.000 0.778 115 G HN 0.511 nan 8.290 nan 0.000 0.539 116 R N -1.045 119.505 120.500 0.084 0.000 2.526 116 R HA 0.319 4.659 4.340 -0.000 0.000 0.346 116 R C 1.145 177.512 176.300 0.112 0.000 0.926 116 R CA 0.216 56.364 56.100 0.080 0.000 1.147 116 R CB 1.117 31.453 30.300 0.060 0.000 1.629 116 R HN 0.352 nan 8.270 nan 0.000 0.516 117 G N 2.538 111.436 108.800 0.163 0.000 2.498 117 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.245 117 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.245 117 G C -0.166 174.892 174.900 0.263 0.000 1.204 117 G CA 0.034 45.277 45.100 0.237 0.000 0.933 117 G HN 0.201 nan 8.290 nan 0.000 0.574 118 M N 2.031 121.794 119.600 0.271 0.000 2.269 118 M HA 0.494 4.973 4.480 -0.000 0.000 0.350 118 M C 1.301 177.611 176.300 0.016 0.000 1.429 118 M CA 1.428 56.791 55.300 0.106 0.000 1.063 118 M CB 0.824 33.459 32.600 0.058 0.000 1.841 118 M HN 1.383 nan 8.290 nan 0.000 0.455 119 A N 5.766 128.523 122.820 -0.105 0.000 1.969 119 A HA 0.327 4.647 4.320 -0.000 0.000 0.205 119 A C 0.115 177.737 177.584 0.063 0.000 1.364 119 A CA 0.490 52.516 52.037 -0.017 0.000 0.756 119 A CB 0.468 19.427 19.000 -0.068 0.000 0.988 119 A HN 0.726 nan 8.150 nan 0.000 0.490 120 K N -0.503 119.863 120.400 -0.056 0.000 2.508 120 K HA 0.546 4.866 4.320 -0.000 0.000 0.260 120 K C -1.693 174.874 176.600 -0.054 0.000 0.949 120 K CA -0.473 55.774 56.287 -0.067 0.000 0.834 120 K CB 2.110 34.562 32.500 -0.079 0.000 1.365 120 K HN 0.082 nan 8.250 nan 0.000 0.437 121 T N 1.733 116.286 114.554 -0.001 0.000 2.779 121 T HA 0.336 4.685 4.350 -0.000 0.000 0.280 121 T C -1.392 173.336 174.700 0.047 0.000 0.987 121 T CA -0.706 61.438 62.100 0.073 0.000 0.966 121 T CB 0.636 69.681 68.868 0.294 0.000 0.933 121 T HN 0.457 nan 8.240 nan 0.000 0.442 122 W N 5.849 127.030 121.300 -0.199 0.000 2.656 122 W HA 0.635 5.295 4.660 -0.000 0.000 0.327 122 W C -2.517 173.832 176.519 -0.283 0.000 1.041 122 W CA -1.428 55.760 57.345 -0.262 0.000 1.229 122 W CB 0.583 29.837 29.460 -0.343 0.000 1.397 122 W HN 0.460 nan 8.180 nan 0.000 0.479 123 L N 7.276 128.105 121.223 -0.657 0.000 2.313 123 L HA 0.256 4.596 4.340 -0.000 0.000 0.283 123 L C -0.690 175.539 176.870 -1.067 0.000 1.013 123 L CA -1.031 53.351 54.840 -0.764 0.000 0.816 123 L CB 1.449 42.971 42.059 -0.894 0.000 1.236 123 L HN 0.363 nan 8.230 nan 0.000 0.419 124 Y N 2.843 122.622 120.300 -0.870 0.000 2.341 124 Y HA 0.308 4.858 4.550 -0.000 0.000 0.340 124 Y C 0.111 175.560 175.900 -0.751 0.000 0.997 124 Y CA -0.773 56.800 58.100 -0.877 0.000 1.149 124 Y CB 0.804 38.778 38.460 -0.810 0.000 1.171 124 Y HN 0.485 nan 8.280 nan 0.000 0.494 125 F N 3.375 122.708 119.950 -1.028 0.000 2.743 125 F HA 0.233 4.760 4.527 -0.000 0.000 0.297 125 F C 1.792 177.060 175.800 -0.887 0.000 1.131 125 F CA 0.639 58.194 58.000 -0.743 0.000 1.426 125 F CB 0.013 38.691 39.000 -0.537 0.000 1.116 125 F HN 0.866 nan 8.300 nan 0.000 0.583 126 G N 0.247 108.172 108.800 -1.457 0.000 2.203 126 G HA2 0.198 4.157 3.960 -0.000 0.000 0.231 126 G HA3 0.198 4.157 3.960 -0.000 0.000 0.231 126 G C 0.340 174.929 174.900 -0.519 0.000 1.058 126 G CA -0.064 44.442 45.100 -0.991 0.000 0.781 126 G HN 1.001 nan 8.290 nan 0.000 0.496 127 G N -1.650 106.844 108.800 -0.510 0.000 2.359 127 G HA2 0.449 4.409 3.960 -0.000 0.000 0.293 127 G HA3 0.449 4.409 3.960 -0.000 0.000 0.293 127 G C -0.745 173.957 174.900 -0.330 0.000 1.300 127 G CA -0.604 44.305 45.100 -0.318 0.000 0.888 127 G HN 0.939 nan 8.290 nan 0.000 0.541 128 L N 1.523 122.593 121.223 -0.255 0.000 2.325 128 L HA 0.443 4.783 4.340 -0.000 0.000 0.284 128 L C 0.380 177.137 176.870 -0.189 0.000 1.089 128 L CA -0.638 54.072 54.840 -0.216 0.000 0.836 128 L CB 0.479 42.413 42.059 -0.208 0.000 1.184 128 L HN 0.302 nan 8.230 nan 0.000 0.444 129 R N 4.019 124.385 120.500 -0.224 0.000 2.532 129 R HA 0.474 4.814 4.340 -0.000 0.000 0.295 129 R C -2.505 173.711 176.300 -0.140 0.000 0.968 129 R CA -2.711 53.241 56.100 -0.247 0.000 0.916 129 R CB 0.958 31.015 30.300 -0.406 0.000 1.124 129 R HN 0.201 nan 8.270 nan 0.000 0.463 130 P HA 0.040 nan 4.420 nan 0.000 0.267 130 P C 0.209 177.414 177.300 -0.158 0.000 1.205 130 P CA 0.183 63.214 63.100 -0.116 0.000 0.765 130 P CB 0.628 32.292 31.700 -0.059 0.000 0.828 131 A N 3.502 126.231 122.820 -0.153 0.000 1.972 131 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 131 A C 2.112 179.661 177.584 -0.059 0.000 1.169 131 A CA 1.572 53.548 52.037 -0.102 0.000 0.635 131 A CB -1.110 17.937 19.000 0.078 0.000 0.810 131 A HN 0.628 nan 8.150 nan 0.000 0.446 132 E N -0.023 120.151 120.200 -0.043 0.000 2.085 132 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 132 E C 1.252 177.830 176.600 -0.036 0.000 0.994 132 E CA 1.488 57.876 56.400 -0.020 0.000 0.801 132 E CB -0.128 29.559 29.700 -0.022 0.000 0.743 132 E HN 0.563 nan 8.360 nan 0.000 0.453 133 D N 0.397 120.757 120.400 -0.067 0.000 2.104 133 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 133 D C 1.887 178.117 176.300 -0.117 0.000 0.994 133 D CA 0.971 54.919 54.000 -0.086 0.000 0.830 133 D CB -0.146 40.616 40.800 -0.062 0.000 0.959 133 D HN 0.268 nan 8.370 nan 0.000 0.452 134 I N 0.133 120.580 120.570 -0.206 0.000 2.286 134 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 134 I C 2.226 178.397 176.117 0.090 0.000 1.104 134 I CA 0.794 61.943 61.300 -0.252 0.000 1.397 134 I CB -0.986 36.655 38.000 -0.597 0.000 1.072 134 I HN 0.042 nan 8.210 nan 0.000 0.417 135 L N 0.359 121.616 121.223 0.057 0.000 2.592 135 L HA 0.023 4.362 4.340 -0.000 0.000 0.227 135 L C 1.352 178.290 176.870 0.114 0.000 1.127 135 L CA 0.611 55.539 54.840 0.147 0.000 0.884 135 L CB -0.353 41.809 42.059 0.172 0.000 1.065 135 L HN 0.333 nan 8.230 nan 0.000 0.457 136 T N -3.570 111.028 114.554 0.073 0.000 3.252 136 T HA 0.207 4.556 4.350 -0.000 0.000 0.286 136 T C 0.350 175.065 174.700 0.026 0.000 1.013 136 T CA -0.283 61.841 62.100 0.040 0.000 0.914 136 T CB -0.400 68.478 68.868 0.018 0.000 1.131 136 T HN -0.037 nan 8.240 nan 0.000 0.529 137 V N 0.383 120.325 119.914 0.047 0.000 2.694 137 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 137 V C -1.131 174.953 176.094 -0.017 0.000 1.054 137 V CA -1.217 61.090 62.300 0.011 0.000 1.161 137 V CB 0.415 32.251 31.823 0.020 0.000 0.916 137 V HN 0.036 nan 8.190 nan 0.000 0.490 138 P HA -0.047 nan 4.420 nan 0.000 0.222 138 P C 1.501 178.776 177.300 -0.043 0.000 1.147 138 P CA 1.818 64.901 63.100 -0.029 0.000 0.790 138 P CB 0.041 31.725 31.700 -0.026 0.000 0.780 139 A N -0.359 122.418 122.820 -0.071 0.000 2.076 139 A HA -0.100 4.219 4.320 -0.000 0.000 0.220 139 A C 1.334 178.858 177.584 -0.100 0.000 1.160 139 A CA 0.840 52.819 52.037 -0.096 0.000 0.653 139 A CB -1.237 17.672 19.000 -0.151 0.000 0.801 139 A HN 0.180 nan 8.150 nan 0.000 0.455 140 L N 0.773 121.943 121.223 -0.088 0.000 2.371 140 L HA 0.284 4.624 4.340 -0.000 0.000 0.272 140 L C -2.159 174.696 176.870 -0.024 0.000 1.124 140 L CA -2.209 52.597 54.840 -0.057 0.000 0.816 140 L CB 0.804 42.855 42.059 -0.012 0.000 1.129 140 L HN 0.047 nan 8.230 nan 0.000 0.448 141 P HA 0.044 nan 4.420 nan 0.000 0.272 141 P C 0.133 177.423 177.300 -0.016 0.000 1.240 141 P CA -0.273 62.818 63.100 -0.015 0.000 0.791 141 P CB 0.743 32.431 31.700 -0.021 0.000 0.978 142 A N 1.858 124.664 122.820 -0.024 0.000 1.917 142 A HA -0.224 4.095 4.320 -0.000 0.000 0.219 142 A C 2.228 179.793 177.584 -0.031 0.000 1.182 142 A CA 2.638 54.660 52.037 -0.025 0.000 0.633 142 A CB -1.923 17.059 19.000 -0.029 0.000 0.819 142 A HN 0.653 nan 8.150 nan 0.000 0.448 143 S N -0.482 115.188 115.700 -0.049 0.000 2.383 143 S HA -0.128 4.341 4.470 -0.000 0.000 0.229 143 S C 1.712 176.292 174.600 -0.034 0.000 1.030 143 S CA 1.583 59.748 58.200 -0.059 0.000 1.002 143 S CB -0.876 62.262 63.200 -0.102 0.000 0.829 143 S HN 0.289 nan 8.310 nan 0.000 0.467 144 V N 2.205 122.115 119.914 -0.008 0.000 2.407 144 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 144 V C 2.858 178.982 176.094 0.052 0.000 1.041 144 V CA 1.741 64.063 62.300 0.037 0.000 1.040 144 V CB -0.983 30.881 31.823 0.068 0.000 0.671 144 V HN 0.519 nan 8.190 nan 0.000 0.455 145 Q N 0.501 120.322 119.800 0.036 0.000 2.135 145 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 145 Q C 2.388 178.395 176.000 0.010 0.000 0.981 145 Q CA 1.689 57.516 55.803 0.039 0.000 0.856 145 Q CB -0.495 28.256 28.738 0.022 0.000 0.902 145 Q HN 0.648 nan 8.270 nan 0.000 0.425 146 A N 1.398 124.206 122.820 -0.020 0.000 2.084 146 A HA -0.187 4.133 4.320 -0.000 0.000 0.221 146 A C 1.810 179.335 177.584 -0.099 0.000 1.161 146 A CA 1.109 53.116 52.037 -0.051 0.000 0.653 146 A CB -0.239 18.727 19.000 -0.056 0.000 0.802 146 A HN 0.138 nan 8.150 nan 0.000 0.457 147 R N -0.788 119.641 120.500 -0.118 0.000 2.307 147 R HA 0.039 4.378 4.340 -0.000 0.000 0.199 147 R C 1.689 177.738 176.300 -0.418 0.000 1.000 147 R CA 0.568 56.476 56.100 -0.320 0.000 1.023 147 R CB -1.328 28.766 30.300 -0.344 0.000 0.908 147 R HN 0.543 nan 8.270 nan 0.000 0.473 148 L N 2.388 123.563 121.223 -0.080 0.000 2.081 148 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 148 L C 2.002 178.856 176.870 -0.026 0.000 1.080 148 L CA 2.021 56.903 54.840 0.071 0.000 0.754 148 L CB -0.378 41.728 42.059 0.078 0.000 0.893 148 L HN 0.201 nan 8.230 nan 0.000 0.433 149 K N -2.049 118.290 120.400 -0.101 0.000 2.228 149 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 149 K C 1.570 178.086 176.600 -0.139 0.000 1.051 149 K CA 1.214 57.446 56.287 -0.091 0.000 0.960 149 K CB -0.531 31.924 32.500 -0.076 0.000 0.743 149 K HN 0.285 nan 8.250 nan 0.000 0.458 150 D N 0.976 121.217 120.400 -0.266 0.000 2.117 150 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 150 D C 1.803 177.963 176.300 -0.232 0.000 0.987 150 D CA 1.129 54.954 54.000 -0.292 0.000 0.829 150 D CB -0.216 40.331 40.800 -0.422 0.000 0.961 150 D HN 0.176 nan 8.370 nan 0.000 0.460 151 F N 1.228 121.115 119.950 -0.105 0.000 2.102 151 F HA -0.063 4.463 4.527 -0.000 0.000 0.298 151 F C 2.581 178.287 175.800 -0.156 0.000 1.105 151 F CA 0.425 58.308 58.000 -0.195 0.000 1.239 151 F CB -1.170 37.706 39.000 -0.206 0.000 0.991 151 F HN -0.091 nan 8.300 nan 0.000 0.474 152 L N -0.292 120.975 121.223 0.073 0.000 2.079 152 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 152 L C 2.687 179.549 176.870 -0.012 0.000 1.081 152 L CA 1.173 56.020 54.840 0.011 0.000 0.752 152 L CB -1.128 40.927 42.059 -0.006 0.000 0.896 152 L HN 0.161 nan 8.230 nan 0.000 0.433 153 A N 0.048 122.853 122.820 -0.026 0.000 1.933 153 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 153 A C 2.073 179.653 177.584 -0.007 0.000 1.175 153 A CA 1.298 53.319 52.037 -0.026 0.000 0.628 153 A CB -0.585 18.390 19.000 -0.043 0.000 0.814 153 A HN 0.422 nan 8.150 nan 0.000 0.444 154 L N -0.989 120.235 121.223 0.002 0.000 2.612 154 L HA 0.179 4.518 4.340 -0.000 0.000 0.230 154 L C 1.595 178.499 176.870 0.056 0.000 1.140 154 L CA 0.440 55.297 54.840 0.028 0.000 0.896 154 L CB -0.536 41.538 42.059 0.025 0.000 1.065 154 L HN 0.589 nan 8.230 nan 0.000 0.447 155 G N 0.855 109.681 108.800 0.043 0.000 2.153 155 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.252 155 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.252 155 G C 0.263 175.225 174.900 0.103 0.000 0.994 155 G CA -0.134 45.020 45.100 0.089 0.000 0.698 155 G HN 0.314 nan 8.290 nan 0.000 0.521 156 L N 0.294 121.508 121.223 -0.015 0.000 2.375 156 L HA 0.541 4.880 4.340 -0.000 0.000 0.276 156 L C 1.453 178.301 176.870 -0.037 0.000 1.162 156 L CA 0.257 55.002 54.840 -0.159 0.000 0.991 156 L CB 0.701 42.364 42.059 -0.660 0.000 1.315 156 L HN 0.289 nan 8.230 nan 0.000 0.431 157 A N 1.339 124.193 122.820 0.058 0.000 2.358 157 A HA 0.211 4.530 4.320 -0.000 0.000 0.223 157 A C 0.204 177.531 177.584 -0.429 0.000 1.218 157 A CA 0.080 52.026 52.037 -0.152 0.000 0.942 157 A CB 0.109 18.956 19.000 -0.255 0.000 1.005 157 A HN 0.620 nan 8.150 nan 0.000 0.514 158 H N -1.337 117.817 119.070 0.141 0.000 2.529 158 H HA 0.619 5.175 4.556 -0.000 0.000 0.348 158 H C -1.047 174.226 175.328 -0.092 0.000 1.079 158 H CA -0.602 55.444 56.048 -0.002 0.000 1.198 158 H CB 2.074 31.815 29.762 -0.035 0.000 1.521 158 H HN -0.013 nan 8.280 nan 0.000 0.514 159 V N 3.555 123.352 119.914 -0.194 0.000 2.513 159 V HA 0.342 4.462 4.120 -0.000 0.000 0.299 159 V C 0.705 176.566 176.094 -0.389 0.000 1.035 159 V CA -0.592 61.444 62.300 -0.439 0.000 0.889 159 V CB 1.917 33.352 31.823 -0.647 0.000 0.988 159 V HN 0.852 nan 8.190 nan 0.000 0.440 160 R N 2.072 122.327 120.500 -0.408 0.000 2.287 160 R HA 0.428 4.768 4.340 -0.000 0.000 0.197 160 R C -0.781 174.931 176.300 -0.979 0.000 0.900 160 R CA 0.566 56.281 56.100 -0.642 0.000 1.052 160 R CB 0.631 30.527 30.300 -0.672 0.000 1.117 160 R HN 0.594 nan 8.270 nan 0.000 0.568 161 F N -0.905 118.796 119.950 -0.416 0.000 2.668 161 F HA 0.647 5.173 4.527 -0.000 0.000 0.309 161 F C -0.879 174.551 175.800 -0.616 0.000 1.117 161 F CA -1.273 56.211 58.000 -0.860 0.000 0.951 161 F CB 1.884 39.823 39.000 -1.769 0.000 1.323 161 F HN -0.231 nan 8.300 nan 0.000 0.451 162 A N 0.991 123.470 122.820 -0.568 0.000 2.486 162 A HA 0.946 5.266 4.320 -0.000 0.000 0.300 162 A C -1.719 175.633 177.584 -0.387 0.000 1.048 162 A CA -0.533 51.230 52.037 -0.458 0.000 0.696 162 A CB 1.460 19.941 19.000 -0.866 0.000 1.278 162 A HN 1.298 nan 8.150 nan 0.000 0.405 163 A N 1.094 123.876 122.820 -0.063 0.000 2.365 163 A HA 0.720 5.040 4.320 -0.000 0.000 0.318 163 A C -0.804 176.838 177.584 0.096 0.000 1.091 163 A CA -0.501 51.567 52.037 0.053 0.000 0.763 163 A CB 1.303 20.436 19.000 0.223 0.000 1.248 163 A HN 1.271 nan 8.150 nan 0.000 0.442 164 V N 2.591 122.451 119.914 -0.090 0.000 2.407 164 V HA 0.226 4.346 4.120 -0.000 0.000 0.278 164 V C -0.331 175.422 176.094 -0.568 0.000 1.037 164 V CA -0.373 61.682 62.300 -0.408 0.000 0.900 164 V CB 1.443 32.742 31.823 -0.872 0.000 0.983 164 V HN 0.892 nan 8.190 nan 0.000 0.459 165 D N 4.075 124.275 120.400 -0.335 0.000 2.411 165 D HA 0.149 4.789 4.640 -0.000 0.000 0.225 165 D C 0.515 176.707 176.300 -0.179 0.000 1.156 165 D CA -0.318 53.566 54.000 -0.194 0.000 0.874 165 D CB 0.759 41.590 40.800 0.052 0.000 1.034 165 D HN 0.546 nan 8.370 nan 0.000 0.502 166 W N 3.087 124.349 121.300 -0.064 0.000 2.425 166 W HA -0.052 4.607 4.660 -0.000 0.000 0.277 166 W C 2.180 178.770 176.519 0.119 0.000 1.231 166 W CA 0.002 57.271 57.345 -0.126 0.000 1.248 166 W CB 0.096 29.407 29.460 -0.247 0.000 1.117 166 W HN 0.337 nan 8.180 nan 0.000 0.568 167 R N -0.921 119.681 120.500 0.169 0.000 2.090 167 R HA -0.039 4.300 4.340 -0.000 0.000 0.228 167 R C 1.095 177.343 176.300 -0.087 0.000 1.110 167 R CA 1.399 57.471 56.100 -0.048 0.000 0.973 167 R CB -0.601 29.458 30.300 -0.402 0.000 0.869 167 R HN 0.343 nan 8.270 nan 0.000 0.440 168 H N -1.224 117.998 119.070 0.253 0.000 2.652 168 H HA 0.244 4.800 4.556 -0.000 0.000 0.274 168 H C -0.647 174.839 175.328 0.264 0.000 1.021 168 H CA -0.245 55.914 56.048 0.186 0.000 1.187 168 H CB 0.307 30.138 29.762 0.115 0.000 1.505 168 H HN 0.264 nan 8.280 nan 0.000 0.530 169 H N 0.699 119.881 119.070 0.187 0.000 2.677 169 H HA -0.143 4.413 4.556 -0.000 0.000 0.321 169 H C -0.420 174.974 175.328 0.110 0.000 1.171 169 H CA 0.252 56.394 56.048 0.157 0.000 1.139 169 H CB -1.234 28.609 29.762 0.136 0.000 1.515 169 H HN 0.489 nan 8.280 nan 0.000 0.423 170 S N -0.862 114.944 115.700 0.176 0.000 2.671 170 S HA 0.915 5.384 4.470 -0.000 0.000 0.277 170 S C -0.593 174.051 174.600 0.073 0.000 1.165 170 S CA -0.531 57.746 58.200 0.128 0.000 0.822 170 S CB 3.032 66.320 63.200 0.147 0.000 1.150 170 S HN 0.661 nan 8.310 nan 0.000 0.479 171 A N 0.699 123.584 122.820 0.109 0.000 2.386 171 A HA 0.791 5.111 4.320 -0.000 0.000 0.311 171 A C -1.109 176.550 177.584 0.126 0.000 1.068 171 A CA -1.003 51.125 52.037 0.152 0.000 0.743 171 A CB 0.719 19.898 19.000 0.298 0.000 1.258 171 A HN 0.831 nan 8.150 nan 0.000 0.429 172 N N 0.503 119.271 118.700 0.115 0.000 2.444 172 N HA 0.505 5.245 4.740 -0.000 0.000 0.262 172 N C -1.117 174.378 175.510 -0.026 0.000 0.974 172 N CA -0.471 52.602 53.050 0.037 0.000 0.933 172 N CB 2.155 40.717 38.487 0.125 0.000 1.137 172 N HN 0.328 nan 8.380 nan 0.000 0.498 173 V N 2.742 122.547 119.914 -0.182 0.000 2.398 173 V HA 0.298 4.417 4.120 -0.000 0.000 0.286 173 V C -0.856 174.955 176.094 -0.472 0.000 1.026 173 V CA -0.689 61.404 62.300 -0.344 0.000 0.868 173 V CB 0.193 31.719 31.823 -0.495 0.000 0.982 173 V HN 0.562 nan 8.190 nan 0.000 0.443 174 Y N 4.588 124.623 120.300 -0.441 0.000 2.353 174 Y HA 0.627 5.177 4.550 -0.000 0.000 0.340 174 Y C -0.183 175.500 175.900 -0.362 0.000 0.972 174 Y CA -0.730 57.246 58.100 -0.207 0.000 1.157 174 Y CB 0.941 39.389 38.460 -0.020 0.000 1.157 174 Y HN 0.496 nan 8.280 nan 0.000 0.495 175 F N 2.201 122.132 119.950 -0.032 0.000 2.470 175 F HA 0.592 5.119 4.527 -0.000 0.000 0.329 175 F C 0.294 176.061 175.800 -0.055 0.000 1.072 175 F CA -1.118 56.830 58.000 -0.087 0.000 0.989 175 F CB 1.438 40.348 39.000 -0.150 0.000 1.193 175 F HN 0.239 nan 8.300 nan 0.000 0.481 176 R N 0.866 121.418 120.500 0.086 0.000 2.343 176 R HA 0.655 4.995 4.340 -0.000 0.000 0.320 176 R C -0.435 175.760 176.300 -0.176 0.000 0.956 176 R CA -0.469 55.592 56.100 -0.065 0.000 0.836 176 R CB 1.063 31.309 30.300 -0.090 0.000 1.151 176 R HN 0.879 nan 8.270 nan 0.000 0.450 177 G N 2.775 111.229 108.800 -0.577 0.000 2.410 177 G HA2 0.180 4.140 3.960 -0.000 0.000 0.330 177 G HA3 0.180 4.140 3.960 -0.000 0.000 0.330 177 G C -1.134 173.492 174.900 -0.458 0.000 1.142 177 G CA -0.700 44.026 45.100 -0.624 0.000 0.902 177 G HN 0.563 nan 8.290 nan 0.000 0.491 178 K N 1.177 121.460 120.400 -0.195 0.000 2.349 178 K HA 0.399 4.718 4.320 -0.000 0.000 0.289 178 K C 0.692 177.383 176.600 0.151 0.000 1.064 178 K CA -0.057 56.176 56.287 -0.090 0.000 0.947 178 K CB 0.204 32.590 32.500 -0.190 0.000 1.007 178 K HN 0.513 nan 8.250 nan 0.000 0.478 179 G N 4.104 113.037 108.800 0.222 0.000 3.039 179 G HA2 0.436 4.396 3.960 -0.000 0.000 0.159 179 G HA3 0.436 4.396 3.960 -0.000 0.000 0.159 179 G C -2.534 172.456 174.900 0.150 0.000 1.284 179 G CA -0.913 44.371 45.100 0.307 0.000 0.996 179 G HN 0.529 nan 8.290 nan 0.000 0.592 180 P HA 0.194 nan 4.420 nan 0.000 0.270 180 P C -0.530 176.824 177.300 0.089 0.000 1.223 180 P CA -0.435 62.737 63.100 0.120 0.000 0.785 180 P CB 0.891 32.622 31.700 0.052 0.000 0.923 181 L N 2.977 124.199 121.223 -0.002 0.000 2.410 181 L HA 0.221 4.560 4.340 -0.000 0.000 0.273 181 L C 0.028 176.822 176.870 -0.127 0.000 1.144 181 L CA 0.465 55.171 54.840 -0.224 0.000 0.863 181 L CB -0.529 41.245 42.059 -0.475 0.000 1.140 181 L HN 0.397 nan 8.230 nan 0.000 0.463 182 D N 0.898 121.239 120.400 -0.099 0.000 2.414 182 D HA 0.338 4.978 4.640 -0.000 0.000 0.241 182 D C 1.031 177.284 176.300 -0.077 0.000 1.008 182 D CA 0.006 53.960 54.000 -0.077 0.000 1.001 182 D CB 0.565 41.343 40.800 -0.038 0.000 1.277 182 D HN 0.561 nan 8.370 nan 0.000 0.538 183 T N -1.943 112.557 114.554 -0.090 0.000 2.699 183 T HA -0.211 4.138 4.350 -0.000 0.000 0.268 183 T C 1.847 176.540 174.700 -0.012 0.000 1.036 183 T CA 1.680 63.726 62.100 -0.090 0.000 1.147 183 T CB -0.846 67.957 68.868 -0.109 0.000 0.862 183 T HN 0.233 nan 8.240 nan 0.000 0.446 184 V N 1.809 121.717 119.914 -0.010 0.000 2.358 184 V HA -0.131 3.988 4.120 -0.000 0.000 0.246 184 V C 2.933 179.041 176.094 0.024 0.000 1.047 184 V CA 2.133 64.437 62.300 0.008 0.000 1.035 184 V CB -0.940 30.885 31.823 0.003 0.000 0.658 184 V HN 0.480 nan 8.190 nan 0.000 0.452 185 Q N -0.231 119.581 119.800 0.020 0.000 2.119 185 Q HA -0.193 4.146 4.340 -0.000 0.000 0.201 185 Q C 1.901 177.918 176.000 0.028 0.000 0.972 185 Q CA 1.912 57.731 55.803 0.026 0.000 0.847 185 Q CB -0.557 28.193 28.738 0.020 0.000 0.903 185 Q HN 0.591 nan 8.270 nan 0.000 0.433 186 F N 0.383 120.247 119.950 -0.143 0.000 2.043 186 F HA -0.230 4.296 4.527 -0.000 0.000 0.297 186 F C 1.991 177.744 175.800 -0.078 0.000 1.121 186 F CA 1.995 59.880 58.000 -0.191 0.000 1.199 186 F CB -0.806 37.962 39.000 -0.387 0.000 0.968 186 F HN 0.157 nan 8.300 nan 0.000 0.478 187 A N 0.569 123.456 122.820 0.110 0.000 1.917 187 A HA -0.256 4.063 4.320 -0.000 0.000 0.219 187 A C 2.294 179.871 177.584 -0.012 0.000 1.182 187 A CA 2.126 54.184 52.037 0.035 0.000 0.633 187 A CB -0.847 18.179 19.000 0.043 0.000 0.819 187 A HN 0.528 nan 8.150 nan 0.000 0.448 188 R N -0.759 119.737 120.500 -0.006 0.000 2.081 188 R HA -0.034 4.305 4.340 -0.000 0.000 0.235 188 R C 2.024 178.312 176.300 -0.020 0.000 1.131 188 R CA 1.613 57.710 56.100 -0.005 0.000 0.960 188 R CB -0.474 29.831 30.300 0.009 0.000 0.856 188 R HN 0.596 nan 8.270 nan 0.000 0.436 189 I N -0.335 120.219 120.570 -0.027 0.000 2.202 189 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 189 I C 2.706 178.770 176.117 -0.089 0.000 1.091 189 I CA 1.196 62.479 61.300 -0.028 0.000 1.368 189 I CB -0.496 37.537 38.000 0.055 0.000 1.058 189 I HN 0.287 nan 8.210 nan 0.000 0.410 190 H N 1.577 120.461 119.070 -0.310 0.000 2.352 190 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 190 H C 2.184 177.412 175.328 -0.166 0.000 1.097 190 H CA 1.768 57.605 56.048 -0.351 0.000 1.311 190 H CB 0.218 29.611 29.762 -0.615 0.000 1.377 190 H HN 0.339 nan 8.280 nan 0.000 0.504 191 A N 1.292 124.107 122.820 -0.009 0.000 2.019 191 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 191 A C 2.793 180.337 177.584 -0.066 0.000 1.164 191 A CA 0.972 53.002 52.037 -0.011 0.000 0.644 191 A CB -0.801 18.204 19.000 0.010 0.000 0.805 191 A HN 0.452 nan 8.150 nan 0.000 0.449 192 L N 0.419 121.596 121.223 -0.076 0.000 2.187 192 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 192 L C 2.824 179.647 176.870 -0.079 0.000 1.100 192 L CA 1.572 56.371 54.840 -0.067 0.000 0.765 192 L CB -0.469 41.569 42.059 -0.035 0.000 0.904 192 L HN 0.634 nan 8.230 nan 0.000 0.437 193 S N -1.044 114.574 115.700 -0.137 0.000 2.496 193 S HA 0.079 4.549 4.470 -0.000 0.000 0.224 193 S C 1.717 176.250 174.600 -0.112 0.000 0.996 193 S CA 0.527 58.643 58.200 -0.139 0.000 0.927 193 S CB 0.359 63.421 63.200 -0.230 0.000 0.774 193 S HN 0.542 nan 8.310 nan 0.000 0.524 194 G N 1.282 110.019 108.800 -0.105 0.000 2.205 194 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.261 194 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.261 194 G C 0.324 175.203 174.900 -0.036 0.000 0.980 194 G CA 0.432 45.501 45.100 -0.053 0.000 0.632 194 G HN 1.405 nan 8.290 nan 0.000 0.533 195 S N -0.029 115.625 115.700 -0.078 0.000 2.632 195 S HA 0.602 5.071 4.470 -0.000 0.000 0.267 195 S C 0.426 175.105 174.600 0.133 0.000 1.276 195 S CA 0.509 58.714 58.200 0.008 0.000 0.998 195 S CB 1.289 64.490 63.200 0.002 0.000 0.953 195 S HN 0.649 nan 8.310 nan 0.000 0.547 196 T N 3.872 118.523 114.554 0.162 0.000 2.871 196 T HA 0.218 4.567 4.350 -0.000 0.000 0.296 196 T C -2.349 172.490 174.700 0.232 0.000 0.998 196 T CA -0.244 61.953 62.100 0.161 0.000 1.162 196 T CB -0.313 68.626 68.868 0.117 0.000 0.947 196 T HN 0.506 nan 8.240 nan 0.000 0.536 197 P HA 0.126 nan 4.420 nan 0.000 0.261 197 P C -2.040 175.221 177.300 -0.065 0.000 1.183 197 P CA -0.955 62.126 63.100 -0.032 0.000 0.761 197 P CB -0.193 31.491 31.700 -0.027 0.000 0.785 198 P HA 0.213 nan 4.420 nan 0.000 0.276 198 P C -0.560 176.684 177.300 -0.094 0.000 1.261 198 P CA -0.441 62.608 63.100 -0.085 0.000 0.800 198 P CB 0.693 32.326 31.700 -0.112 0.000 1.066 199 A N 0.721 123.515 122.820 -0.043 0.000 2.386 199 A HA 0.411 4.731 4.320 -0.000 0.000 0.246 199 A C 1.668 179.231 177.584 -0.035 0.000 1.089 199 A CA 0.301 52.349 52.037 0.019 0.000 0.790 199 A CB -0.561 18.561 19.000 0.204 0.000 1.042 199 A HN 0.581 nan 8.150 nan 0.000 0.497 200 A N 0.056 122.901 122.820 0.042 0.000 1.969 200 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 200 A C 1.769 179.333 177.584 -0.033 0.000 1.169 200 A CA 1.840 53.853 52.037 -0.040 0.000 0.635 200 A CB -0.952 18.033 19.000 -0.025 0.000 0.810 200 A HN 1.062 nan 8.150 nan 0.000 0.445 201 H N -0.812 118.186 119.070 -0.121 0.000 2.462 201 H HA 0.010 4.565 4.556 -0.000 0.000 0.292 201 H C 1.843 177.085 175.328 -0.143 0.000 1.049 201 H CA 1.414 57.395 56.048 -0.111 0.000 1.334 201 H CB -1.407 28.320 29.762 -0.058 0.000 1.404 201 H HN 0.206 nan 8.280 nan 0.000 0.544 202 V N 1.426 121.002 119.914 -0.562 0.000 2.261 202 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 202 V C 3.030 178.829 176.094 -0.492 0.000 1.047 202 V CA 1.636 63.673 62.300 -0.439 0.000 1.015 202 V CB -0.703 30.941 31.823 -0.298 0.000 0.642 202 V HN 0.280 nan 8.190 nan 0.000 0.446 203 V N -0.109 119.446 119.914 -0.599 0.000 2.295 203 V HA -0.297 3.822 4.120 -0.000 0.000 0.246 203 V C 2.407 178.110 176.094 -0.651 0.000 1.049 203 V CA 2.271 64.005 62.300 -0.943 0.000 1.024 203 V CB -0.773 30.516 31.823 -0.889 0.000 0.648 203 V HN 0.597 nan 8.190 nan 0.000 0.447 204 E N -0.183 119.782 120.200 -0.391 0.000 2.077 204 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 204 E C 2.293 178.763 176.600 -0.216 0.000 0.989 204 E CA 1.509 57.759 56.400 -0.251 0.000 0.800 204 E CB -0.152 29.469 29.700 -0.132 0.000 0.746 204 E HN 0.706 nan 8.360 nan 0.000 0.452 205 E N 0.501 120.575 120.200 -0.210 0.000 2.051 205 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 205 E C 2.125 178.539 176.600 -0.309 0.000 0.991 205 E CA 1.275 57.589 56.400 -0.143 0.000 0.799 205 E CB 0.118 29.751 29.700 -0.112 0.000 0.748 205 E HN 0.040 nan 8.360 nan 0.000 0.449 206 V N 1.505 121.019 119.914 -0.667 0.000 2.282 206 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 206 V C 2.471 178.318 176.094 -0.412 0.000 1.057 206 V CA 1.688 63.458 62.300 -0.884 0.000 1.032 206 V CB -0.483 30.819 31.823 -0.867 0.000 0.645 206 V HN 0.387 nan 8.190 nan 0.000 0.447 207 L N -0.029 120.974 121.223 -0.367 0.000 2.131 207 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 207 L C 2.633 179.449 176.870 -0.090 0.000 1.092 207 L CA 1.511 56.218 54.840 -0.221 0.000 0.759 207 L CB -0.814 41.098 42.059 -0.245 0.000 0.903 207 L HN 0.397 nan 8.230 nan 0.000 0.435 208 A N -1.228 121.552 122.820 -0.066 0.000 2.121 208 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 208 A C 1.652 179.180 177.584 -0.093 0.000 1.154 208 A CA 1.125 53.124 52.037 -0.062 0.000 0.679 208 A CB -0.481 18.486 19.000 -0.055 0.000 0.795 208 A HN 0.434 nan 8.150 nan 0.000 0.458 209 Y N -1.253 119.084 120.300 0.063 0.000 2.458 209 Y HA 0.284 4.834 4.550 -0.000 0.000 0.256 209 Y C 0.736 176.815 175.900 0.299 0.000 1.159 209 Y CA -0.196 58.061 58.100 0.261 0.000 1.261 209 Y CB 0.264 38.944 38.460 0.366 0.000 1.119 209 Y HN 0.126 nan 8.280 nan 0.000 0.524 210 M N 2.358 122.128 119.600 0.284 0.000 2.249 210 M HA 0.278 4.758 4.480 -0.000 0.000 0.351 210 M C -2.268 174.185 176.300 0.256 0.000 1.180 210 M CA -2.100 53.391 55.300 0.317 0.000 1.127 210 M CB 0.251 33.002 32.600 0.251 0.000 1.546 210 M HN -0.053 nan 8.290 nan 0.000 0.461 211 P HA 0.156 nan 4.420 nan 0.000 0.274 211 P C 0.391 177.836 177.300 0.242 0.000 1.256 211 P CA -0.208 63.035 63.100 0.239 0.000 0.795 211 P CB 1.024 32.914 31.700 0.317 0.000 1.038 212 E N -0.218 120.065 120.200 0.139 0.000 2.038 212 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 212 E C -0.198 176.542 176.600 0.233 0.000 1.000 212 E CA 1.180 57.657 56.400 0.129 0.000 0.803 212 E CB -0.074 29.640 29.700 0.023 0.000 0.750 212 E HN 0.400 nan 8.360 nan 0.000 0.448 213 D N 0.299 120.826 120.400 0.212 0.000 2.396 213 D HA 0.111 4.751 4.640 -0.000 0.000 0.225 213 D C -0.869 175.599 176.300 0.279 0.000 1.121 213 D CA -0.126 53.997 54.000 0.206 0.000 0.853 213 D CB 0.413 41.313 40.800 0.168 0.000 1.043 213 D HN 0.198 nan 8.370 nan 0.000 0.500 214 Y N -0.781 119.664 120.300 0.240 0.000 2.403 214 Y HA 0.509 5.059 4.550 -0.000 0.000 0.323 214 Y C -0.026 176.048 175.900 0.290 0.000 1.226 214 Y CA -1.553 56.723 58.100 0.294 0.000 1.235 214 Y CB 0.760 39.408 38.460 0.312 0.000 1.248 214 Y HN 0.236 nan 8.280 nan 0.000 0.489 215 C N 4.344 123.919 119.300 0.459 0.000 2.281 215 C HA 0.781 5.241 4.460 -0.000 0.000 0.325 215 C C -0.654 174.634 174.990 0.497 0.000 1.282 215 C CA -0.569 58.689 59.018 0.399 0.000 1.640 215 C CB -0.340 27.639 27.740 0.399 0.000 2.288 215 C HN 0.846 nan 8.230 nan 0.000 0.507 216 V N 6.605 126.726 119.914 0.345 0.000 2.638 216 V HA 0.852 4.972 4.120 -0.000 0.000 0.306 216 V C -0.007 176.118 176.094 0.051 0.000 1.052 216 V CA -0.041 62.330 62.300 0.118 0.000 0.885 216 V CB 1.898 33.703 31.823 -0.030 0.000 0.999 216 V HN 1.202 nan 8.190 nan 0.000 0.424 217 A N 7.737 130.497 122.820 -0.100 0.000 2.288 217 A HA 0.831 5.151 4.320 -0.000 0.000 0.320 217 A C -0.808 176.643 177.584 -0.222 0.000 1.217 217 A CA -0.576 51.252 52.037 -0.349 0.000 0.840 217 A CB 0.602 19.255 19.000 -0.577 0.000 1.179 217 A HN 0.661 nan 8.150 nan 0.000 0.504 218 I N 2.232 122.713 120.570 -0.148 0.000 2.354 218 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 218 I C 0.120 176.225 176.117 -0.020 0.000 0.989 218 I CA -0.159 61.113 61.300 -0.047 0.000 1.188 218 I CB 1.136 39.158 38.000 0.037 0.000 1.342 218 I HN 0.501 nan 8.210 nan 0.000 0.457 219 T N 7.503 122.064 114.554 0.011 0.000 2.749 219 T HA 0.642 4.991 4.350 -0.000 0.000 0.287 219 T C 0.032 174.782 174.700 0.084 0.000 0.970 219 T CA -0.343 61.782 62.100 0.042 0.000 0.980 219 T CB 0.955 69.843 68.868 0.033 0.000 0.924 219 T HN 0.250 nan 8.240 nan 0.000 0.456 220 L N 3.021 124.312 121.223 0.114 0.000 2.329 220 L HA 0.445 4.785 4.340 -0.000 0.000 0.279 220 L C 0.253 177.191 176.870 0.114 0.000 1.014 220 L CA -1.020 53.898 54.840 0.130 0.000 0.814 220 L CB 1.511 43.678 42.059 0.180 0.000 1.257 220 L HN 0.512 nan 8.230 nan 0.000 0.424 221 D N 2.716 123.176 120.400 0.100 0.000 2.343 221 D HA 0.096 4.736 4.640 -0.000 0.000 0.255 221 D C 0.725 177.096 176.300 0.117 0.000 1.187 221 D CA 0.149 54.216 54.000 0.112 0.000 0.875 221 D CB 1.338 42.198 40.800 0.100 0.000 1.136 221 D HN 0.424 nan 8.370 nan 0.000 0.469 222 L N 3.270 124.575 121.223 0.136 0.000 2.552 222 L HA -0.077 4.262 4.340 -0.000 0.000 0.227 222 L C 1.647 178.600 176.870 0.138 0.000 1.146 222 L CA 0.281 55.188 54.840 0.112 0.000 0.858 222 L CB -0.322 41.785 42.059 0.080 0.000 0.969 222 L HN 0.541 nan 8.230 nan 0.000 0.451 223 H N -0.088 119.021 119.070 0.066 0.000 2.300 223 H HA -0.082 4.474 4.556 -0.000 0.000 0.312 223 H C 2.402 177.750 175.328 0.034 0.000 1.057 223 H CA 1.706 57.783 56.048 0.048 0.000 1.380 223 H CB 0.062 29.853 29.762 0.047 0.000 1.424 223 H HN 0.184 nan 8.280 nan 0.000 0.534 224 S N -1.053 114.639 115.700 -0.013 0.000 2.470 224 S HA 0.137 4.607 4.470 -0.000 0.000 0.225 224 S C 1.915 176.476 174.600 -0.065 0.000 1.006 224 S CA 0.629 58.764 58.200 -0.108 0.000 0.934 224 S CB -0.175 63.029 63.200 0.007 0.000 0.778 224 S HN 0.873 nan 8.310 nan 0.000 0.517 225 G N 1.207 110.002 108.800 -0.009 0.000 2.184 225 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 225 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 225 G C -0.421 174.485 174.900 0.010 0.000 0.975 225 G CA 0.187 45.290 45.100 0.006 0.000 0.642 225 G HN 0.561 nan 8.290 nan 0.000 0.536 226 D N 0.018 120.426 120.400 0.014 0.000 2.443 226 D HA 0.353 4.993 4.640 -0.000 0.000 0.239 226 D C 1.003 177.324 176.300 0.034 0.000 1.136 226 D CA 0.187 54.195 54.000 0.013 0.000 0.879 226 D CB 0.662 41.473 40.800 0.017 0.000 1.195 226 D HN 0.306 nan 8.370 nan 0.000 0.443 227 I N 2.288 122.871 120.570 0.023 0.000 2.297 227 I HA 0.044 4.214 4.170 -0.000 0.000 0.291 227 I C 1.363 177.488 176.117 0.014 0.000 1.033 227 I CA -0.051 61.273 61.300 0.041 0.000 1.253 227 I CB 0.804 38.830 38.000 0.043 0.000 1.396 227 I HN 0.315 nan 8.210 nan 0.000 0.476 228 E N 4.994 125.206 120.200 0.021 0.000 2.250 228 E HA 0.102 4.452 4.350 -0.000 0.000 0.192 228 E C 0.491 177.080 176.600 -0.018 0.000 0.986 228 E CA 0.418 56.820 56.400 0.003 0.000 0.849 228 E CB 0.547 30.255 29.700 0.012 0.000 0.797 228 E HN 0.433 nan 8.360 nan 0.000 0.482 229 R N -0.047 120.440 120.500 -0.022 0.000 2.604 229 R HA 0.242 4.581 4.340 -0.000 0.000 0.261 229 R C -1.885 174.382 176.300 -0.055 0.000 1.080 229 R CA -0.506 55.565 56.100 -0.047 0.000 0.917 229 R CB 1.692 31.967 30.300 -0.041 0.000 1.252 229 R HN -0.014 nan 8.270 nan 0.000 0.456 230 V N -0.303 119.571 119.914 -0.066 0.000 2.823 230 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 230 V C -1.126 174.911 176.094 -0.096 0.000 1.072 230 V CA -0.862 61.368 62.300 -0.116 0.000 0.937 230 V CB 1.767 33.491 31.823 -0.165 0.000 1.013 230 V HN 0.834 nan 8.190 nan 0.000 0.430 231 C N 5.119 124.286 119.300 -0.222 0.000 2.446 231 C HA 0.805 5.265 4.460 -0.000 0.000 0.329 231 C C -0.854 173.971 174.990 -0.275 0.000 1.166 231 C CA -0.513 58.384 59.018 -0.201 0.000 1.341 231 C CB 0.208 27.799 27.740 -0.248 0.000 1.970 231 C HN 0.823 nan 8.230 nan 0.000 0.452 232 F N 4.885 124.920 119.950 0.142 0.000 2.420 232 F HA 0.571 5.098 4.527 -0.000 0.000 0.342 232 F C -0.143 175.817 175.800 0.267 0.000 1.113 232 F CA -0.262 57.921 58.000 0.306 0.000 1.059 232 F CB 0.847 40.107 39.000 0.434 0.000 1.128 232 F HN 0.488 nan 8.300 nan 0.000 0.475 233 Y N 1.410 122.071 120.300 0.601 0.000 2.429 233 Y HA 0.685 5.234 4.550 -0.000 0.000 0.342 233 Y C -0.131 176.089 175.900 0.534 0.000 1.004 233 Y CA -1.249 57.141 58.100 0.484 0.000 1.075 233 Y CB 2.012 40.700 38.460 0.380 0.000 1.214 233 Y HN 0.635 nan 8.280 nan 0.000 0.455 234 A N 4.879 128.092 122.820 0.655 0.000 2.319 234 A HA 0.750 5.070 4.320 -0.000 0.000 0.310 234 A C -1.393 176.476 177.584 0.475 0.000 1.152 234 A CA -0.671 51.727 52.037 0.603 0.000 0.783 234 A CB 0.414 19.826 19.000 0.687 0.000 1.184 234 A HN 0.757 nan 8.150 nan 0.000 0.474 235 L N 1.991 123.506 121.223 0.487 0.000 2.295 235 L HA 0.497 4.837 4.340 -0.000 0.000 0.285 235 L C 0.665 177.817 176.870 0.469 0.000 1.035 235 L CA -0.862 54.253 54.840 0.460 0.000 0.806 235 L CB 1.424 43.785 42.059 0.504 0.000 1.214 235 L HN 1.000 nan 8.230 nan 0.000 0.426 236 K N 1.776 122.359 120.400 0.304 0.000 3.239 236 K HA -0.137 4.183 4.320 -0.000 0.000 0.270 236 K C -0.973 175.723 176.600 0.160 0.000 1.049 236 K CA -0.127 56.247 56.287 0.145 0.000 0.769 236 K CB -0.688 31.761 32.500 -0.085 0.000 1.305 236 K HN 0.382 nan 8.250 nan 0.000 0.469 237 V N 2.666 122.654 119.914 0.124 0.000 2.470 237 V HA 0.204 4.324 4.120 -0.000 0.000 0.276 237 V C -1.372 174.732 176.094 0.017 0.000 1.040 237 V CA -1.044 61.254 62.300 -0.004 0.000 1.008 237 V CB 0.671 32.469 31.823 -0.043 0.000 0.990 237 V HN 0.324 nan 8.190 nan 0.000 0.477 238 P HA 0.176 nan 4.420 nan 0.000 0.272 238 P C 0.579 177.902 177.300 0.038 0.000 1.223 238 P CA -0.347 62.782 63.100 0.047 0.000 0.784 238 P CB 1.023 32.770 31.700 0.078 0.000 0.923 239 K N 1.632 122.050 120.400 0.030 0.000 2.103 239 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 239 K C 1.347 177.972 176.600 0.042 0.000 1.048 239 K CA 1.973 58.276 56.287 0.027 0.000 0.930 239 K CB -0.396 32.112 32.500 0.014 0.000 0.716 239 K HN 0.572 nan 8.250 nan 0.000 0.444 240 N N 0.135 118.865 118.700 0.051 0.000 2.461 240 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 240 N C 0.858 176.421 175.510 0.090 0.000 1.134 240 N CA 0.749 53.836 53.050 0.062 0.000 0.878 240 N CB 0.192 38.711 38.487 0.054 0.000 0.972 240 N HN 0.032 nan 8.380 nan 0.000 0.456 241 A N -0.059 122.825 122.820 0.106 0.000 2.430 241 A HA 0.362 4.682 4.320 -0.000 0.000 0.243 241 A C 0.355 178.071 177.584 0.219 0.000 1.254 241 A CA -0.544 51.590 52.037 0.163 0.000 0.914 241 A CB -0.141 18.971 19.000 0.186 0.000 0.998 241 A HN 0.223 nan 8.150 nan 0.000 0.515 242 L N 2.085 123.390 121.223 0.136 0.000 2.456 242 L HA 0.184 4.523 4.340 -0.000 0.000 0.272 242 L C -1.555 175.388 176.870 0.122 0.000 1.189 242 L CA -1.425 53.469 54.840 0.090 0.000 0.846 242 L CB 0.442 42.518 42.059 0.029 0.000 1.111 242 L HN 0.233 nan 8.230 nan 0.000 0.475 243 P HA 0.063 nan 4.420 nan 0.000 0.275 243 P C -0.794 176.538 177.300 0.052 0.000 1.266 243 P CA -0.740 62.351 63.100 -0.015 0.000 0.793 243 P CB 0.445 32.019 31.700 -0.210 0.000 1.074 244 R N 0.674 121.234 120.500 0.100 0.000 2.538 244 R HA 0.193 4.533 4.340 -0.000 0.000 0.282 244 R C 0.030 176.368 176.300 0.064 0.000 1.009 244 R CA 0.571 56.723 56.100 0.087 0.000 1.063 244 R CB -1.216 29.147 30.300 0.105 0.000 0.945 244 R HN 0.520 nan 8.270 nan 0.000 0.414 245 I N 1.107 121.695 120.570 0.030 0.000 2.865 245 I HA 0.604 4.773 4.170 -0.000 0.000 0.302 245 I C -2.298 173.824 176.117 0.007 0.000 1.140 245 I CA -3.083 58.213 61.300 -0.006 0.000 1.021 245 I CB 2.177 40.154 38.000 -0.038 0.000 1.233 245 I HN 0.473 nan 8.210 nan 0.000 0.427 246 P HA 0.092 nan 4.420 nan 0.000 0.266 246 P C 1.043 178.347 177.300 0.006 0.000 1.195 246 P CA -0.094 63.008 63.100 0.004 0.000 0.768 246 P CB 0.711 32.406 31.700 -0.008 0.000 0.838 247 T N 0.409 114.969 114.554 0.011 0.000 2.803 247 T HA -0.247 4.102 4.350 -0.000 0.000 0.269 247 T C 1.724 176.432 174.700 0.013 0.000 1.052 247 T CA 1.128 63.236 62.100 0.012 0.000 1.136 247 T CB -0.350 68.525 68.868 0.011 0.000 0.864 247 T HN 0.347 nan 8.240 nan 0.000 0.467 248 R N 0.328 120.831 120.500 0.006 0.000 2.115 248 R HA 0.007 4.347 4.340 -0.000 0.000 0.230 248 R C 2.180 178.499 176.300 0.033 0.000 1.111 248 R CA 1.174 57.278 56.100 0.007 0.000 0.976 248 R CB -0.236 30.053 30.300 -0.018 0.000 0.870 248 R HN 0.369 nan 8.270 nan 0.000 0.445 249 I N 0.696 121.277 120.570 0.019 0.000 2.353 249 I HA -0.104 4.065 4.170 -0.000 0.000 0.248 249 I C 2.418 178.600 176.117 0.108 0.000 1.119 249 I CA 1.138 62.473 61.300 0.058 0.000 1.417 249 I CB -1.339 36.654 38.000 -0.011 0.000 1.078 249 I HN 0.225 nan 8.210 nan 0.000 0.421 250 A N 0.962 123.812 122.820 0.051 0.000 1.902 250 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 250 A C 2.538 180.140 177.584 0.031 0.000 1.181 250 A CA 1.684 53.742 52.037 0.035 0.000 0.623 250 A CB -0.623 18.388 19.000 0.018 0.000 0.818 250 A HN 0.350 nan 8.150 nan 0.000 0.443 251 R N -1.491 119.032 120.500 0.038 0.000 2.073 251 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 251 R C 1.975 178.288 176.300 0.021 0.000 1.134 251 R CA 1.853 57.963 56.100 0.018 0.000 0.952 251 R CB -0.520 29.790 30.300 0.017 0.000 0.850 251 R HN 0.490 nan 8.270 nan 0.000 0.433 252 F N 1.251 121.159 119.950 -0.071 0.000 2.126 252 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 252 F C 1.620 177.369 175.800 -0.086 0.000 1.096 252 F CA 1.584 59.530 58.000 -0.090 0.000 1.255 252 F CB -0.204 38.755 39.000 -0.069 0.000 0.997 252 F HN 0.010 nan 8.300 nan 0.000 0.479 253 L N -0.096 121.044 121.223 -0.138 0.000 2.201 253 L HA -0.122 4.217 4.340 -0.000 0.000 0.212 253 L C 2.339 179.083 176.870 -0.210 0.000 1.105 253 L CA 0.803 55.508 54.840 -0.225 0.000 0.775 253 L CB -0.655 41.384 42.059 -0.033 0.000 0.913 253 L HN 0.116 nan 8.230 nan 0.000 0.440 254 E N -0.133 119.977 120.200 -0.150 0.000 2.112 254 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 254 E C 2.203 178.701 176.600 -0.169 0.000 0.979 254 E CA 1.496 57.820 56.400 -0.126 0.000 0.814 254 E CB 0.032 29.688 29.700 -0.074 0.000 0.762 254 E HN 0.468 nan 8.360 nan 0.000 0.460 255 V N -1.729 118.051 119.914 -0.224 0.000 3.125 255 V HA 0.392 4.512 4.120 -0.000 0.000 0.249 255 V C 1.138 177.015 176.094 -0.361 0.000 1.113 255 V CA 0.360 62.519 62.300 -0.234 0.000 1.106 255 V CB -0.315 31.399 31.823 -0.181 0.000 0.768 255 V HN 0.021 nan 8.190 nan 0.000 0.468 256 A N 3.744 126.229 122.820 -0.559 0.000 2.409 256 A HA 0.623 4.943 4.320 -0.000 0.000 0.267 256 A C -2.200 175.129 177.584 -0.425 0.000 1.127 256 A CA -1.151 50.410 52.037 -0.794 0.000 0.795 256 A CB -0.428 17.842 19.000 -1.217 0.000 1.061 256 A HN 0.509 nan 8.150 nan 0.000 0.502 257 P HA 0.246 nan 4.420 nan 0.000 0.285 257 P C -0.523 176.894 177.300 0.196 0.000 1.259 257 P CA -0.149 62.947 63.100 -0.008 0.000 0.794 257 P CB 1.560 33.313 31.700 0.088 0.000 0.940 258 S N 1.695 117.348 115.700 -0.080 0.000 2.502 258 S HA 0.362 4.831 4.470 -0.000 0.000 0.304 258 S C 0.314 174.732 174.600 -0.304 0.000 1.097 258 S CA -0.485 57.681 58.200 -0.057 0.000 1.045 258 S CB 0.280 63.472 63.200 -0.013 0.000 1.019 258 S HN 0.393 nan 8.310 nan 0.000 0.481 259 H N 1.983 121.040 119.070 -0.022 0.000 2.827 259 H HA 0.274 4.829 4.556 -0.000 0.000 0.269 259 H C -0.378 174.903 175.328 -0.079 0.000 1.031 259 H CA -0.243 55.756 56.048 -0.083 0.000 1.202 259 H CB 0.233 29.885 29.762 -0.184 0.000 1.511 259 H HN 0.538 nan 8.280 nan 0.000 0.517 260 D N 0.479 120.881 120.400 0.004 0.000 2.382 260 D HA -0.036 4.604 4.640 -0.000 0.000 0.240 260 D C 1.675 177.967 176.300 -0.013 0.000 1.146 260 D CA -0.031 53.959 54.000 -0.016 0.000 0.897 260 D CB 2.095 42.874 40.800 -0.035 0.000 1.197 260 D HN -0.163 nan 8.370 nan 0.000 0.432 261 V N 1.366 121.269 119.914 -0.019 0.000 2.255 261 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 261 V C 1.028 177.107 176.094 -0.025 0.000 1.051 261 V CA 1.597 63.887 62.300 -0.017 0.000 1.018 261 V CB -0.326 31.486 31.823 -0.018 0.000 0.641 261 V HN 0.512 nan 8.190 nan 0.000 0.445 262 E N 0.561 120.738 120.200 -0.039 0.000 2.081 262 E HA 0.192 4.541 4.350 -0.000 0.000 0.281 262 E C 0.059 176.624 176.600 -0.058 0.000 0.986 262 E CA -0.212 56.155 56.400 -0.055 0.000 0.796 262 E CB 0.651 30.301 29.700 -0.083 0.000 1.085 262 E HN 0.456 nan 8.360 nan 0.000 0.398 263 E N 2.637 122.811 120.200 -0.044 0.000 2.502 263 E HA -0.083 4.267 4.350 -0.000 0.000 0.261 263 E C -1.267 175.307 176.600 -0.044 0.000 0.974 263 E CA 0.152 56.532 56.400 -0.035 0.000 0.936 263 E CB 0.556 30.241 29.700 -0.025 0.000 0.926 263 E HN 0.383 nan 8.360 nan 0.000 0.459 264 C N 6.841 126.127 119.300 -0.025 0.000 2.455 264 C HA 0.410 4.870 4.460 -0.000 0.000 0.321 264 C C -1.127 173.887 174.990 0.040 0.000 1.102 264 C CA -0.906 58.104 59.018 -0.013 0.000 1.413 264 C CB -0.644 27.081 27.740 -0.025 0.000 1.952 264 C HN 0.686 nan 8.230 nan 0.000 0.428 265 N N 3.827 122.561 118.700 0.055 0.000 2.430 265 N HA 0.603 5.342 4.740 -0.000 0.000 0.292 265 N C -0.863 174.721 175.510 0.124 0.000 1.051 265 N CA -0.245 52.858 53.050 0.088 0.000 0.917 265 N CB 2.167 40.691 38.487 0.060 0.000 1.164 265 N HN 0.439 nan 8.380 nan 0.000 0.484 266 V N 2.686 122.691 119.914 0.152 0.000 2.604 266 V HA 0.490 4.609 4.120 -0.000 0.000 0.305 266 V C -0.240 175.931 176.094 0.128 0.000 1.043 266 V CA -0.761 61.653 62.300 0.190 0.000 0.888 266 V CB 2.090 34.051 31.823 0.231 0.000 0.995 266 V HN 0.481 nan 8.190 nan 0.000 0.429 267 I N 3.388 123.998 120.570 0.065 0.000 2.465 267 I HA 0.676 4.846 4.170 -0.000 0.000 0.291 267 I C 0.450 176.402 176.117 -0.274 0.000 1.014 267 I CA -0.126 61.037 61.300 -0.229 0.000 1.093 267 I CB 1.757 39.446 38.000 -0.518 0.000 1.267 267 I HN 0.751 nan 8.210 nan 0.000 0.431 268 G N 5.895 114.447 108.800 -0.413 0.000 2.590 268 G HA2 0.508 4.468 3.960 -0.000 0.000 0.310 268 G HA3 0.508 4.468 3.960 -0.000 0.000 0.310 268 G C -1.587 173.017 174.900 -0.494 0.000 1.347 268 G CA -0.406 44.396 45.100 -0.497 0.000 0.963 268 G HN 0.479 nan 8.290 nan 0.000 0.494 269 W N 2.394 123.598 121.300 -0.159 0.000 2.291 269 W HA 0.464 5.124 4.660 -0.000 0.000 0.312 269 W C 0.079 176.370 176.519 -0.381 0.000 1.061 269 W CA -0.754 56.462 57.345 -0.216 0.000 1.296 269 W CB 1.956 31.428 29.460 0.020 0.000 1.223 269 W HN 0.437 nan 8.180 nan 0.000 0.421 270 S N 3.714 119.121 115.700 -0.489 0.000 2.442 270 S HA 0.671 5.141 4.470 -0.000 0.000 0.297 270 S C -1.020 173.127 174.600 -0.755 0.000 1.131 270 S CA -0.339 57.516 58.200 -0.575 0.000 1.092 270 S CB 0.257 62.921 63.200 -0.894 0.000 0.998 270 S HN 0.240 nan 8.310 nan 0.000 0.478 271 F N 2.635 122.505 119.950 -0.133 0.000 2.507 271 F HA 0.758 5.285 4.527 -0.000 0.000 0.325 271 F C 0.803 176.495 175.800 -0.181 0.000 1.116 271 F CA -0.461 57.486 58.000 -0.088 0.000 0.930 271 F CB 2.366 41.399 39.000 0.055 0.000 1.146 271 F HN 0.736 nan 8.300 nan 0.000 0.447 272 G N 1.866 110.663 108.800 -0.005 0.000 2.601 272 G HA2 0.297 4.256 3.960 -0.000 0.000 0.291 272 G HA3 0.297 4.256 3.960 -0.000 0.000 0.291 272 G C -0.231 174.667 174.900 -0.004 0.000 1.456 272 G CA -0.901 44.176 45.100 -0.039 0.000 0.804 272 G HN 0.553 nan 8.290 nan 0.000 0.499 273 R N -0.235 120.260 120.500 -0.008 0.000 2.127 273 R HA -0.119 4.220 4.340 -0.000 0.000 0.238 273 R C 2.658 178.973 176.300 0.025 0.000 1.134 273 R CA 1.946 58.052 56.100 0.011 0.000 0.975 273 R CB -0.072 30.230 30.300 0.003 0.000 0.865 273 R HN 0.551 nan 8.270 nan 0.000 0.447 274 S N -1.057 114.658 115.700 0.025 0.000 2.607 274 S HA 0.140 4.610 4.470 -0.000 0.000 0.224 274 S C 0.584 175.219 174.600 0.059 0.000 0.969 274 S CA 0.300 58.522 58.200 0.037 0.000 0.927 274 S CB 0.683 63.902 63.200 0.031 0.000 0.772 274 S HN 0.446 nan 8.310 nan 0.000 0.533 275 G N 0.442 109.279 108.800 0.061 0.000 2.435 275 G HA2 0.214 4.174 3.960 -0.000 0.000 0.603 275 G HA3 0.214 4.174 3.960 -0.000 0.000 0.603 275 G C -1.914 173.014 174.900 0.046 0.000 1.496 275 G CA -0.953 44.195 45.100 0.080 0.000 0.896 275 G HN 0.146 nan 8.290 nan 0.000 0.657 276 D N 0.087 120.504 120.400 0.028 0.000 2.312 276 D HA 0.713 5.353 4.640 -0.000 0.000 0.248 276 D C 0.276 176.532 176.300 -0.074 0.000 1.086 276 D CA 0.713 54.641 54.000 -0.119 0.000 0.948 276 D CB 1.236 42.012 40.800 -0.040 0.000 1.162 276 D HN 0.672 nan 8.370 nan 0.000 0.446 277 Y N -2.922 117.290 120.300 -0.146 0.000 2.750 277 Y HA 0.559 5.109 4.550 -0.000 0.000 0.335 277 Y C -1.454 174.328 175.900 -0.196 0.000 1.252 277 Y CA -1.343 56.676 58.100 -0.134 0.000 1.064 277 Y CB 0.466 38.865 38.460 -0.102 0.000 1.321 277 Y HN 0.062 nan 8.280 nan 0.000 0.451 278 V N 1.950 121.907 119.914 0.072 0.000 2.483 278 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 278 V C -0.396 175.684 176.094 -0.023 0.000 1.035 278 V CA -1.028 61.204 62.300 -0.113 0.000 0.896 278 V CB 1.374 33.062 31.823 -0.225 0.000 0.986 278 V HN 0.696 nan 8.190 nan 0.000 0.447 279 K N 2.593 122.941 120.400 -0.087 0.000 2.118 279 K HA 0.874 5.194 4.320 -0.000 0.000 0.254 279 K C -0.506 176.035 176.600 -0.098 0.000 0.961 279 K CA -0.405 55.857 56.287 -0.041 0.000 0.876 279 K CB 2.030 34.563 32.500 0.054 0.000 1.077 279 K HN 0.851 nan 8.250 nan 0.000 0.440 280 A N 2.168 124.937 122.820 -0.085 0.000 2.486 280 A HA 0.477 4.796 4.320 -0.000 0.000 0.300 280 A C -1.420 176.223 177.584 0.099 0.000 1.048 280 A CA -0.812 51.229 52.037 0.007 0.000 0.696 280 A CB 1.193 20.218 19.000 0.042 0.000 1.278 280 A HN 0.738 nan 8.150 nan 0.000 0.405 281 E N 0.367 120.705 120.200 0.230 0.000 2.312 281 E HA 0.708 5.058 4.350 -0.000 0.000 0.267 281 E C -0.806 175.984 176.600 0.318 0.000 0.894 281 E CA -0.916 55.651 56.400 0.278 0.000 0.773 281 E CB 2.847 32.645 29.700 0.164 0.000 1.241 281 E HN 0.575 nan 8.360 nan 0.000 0.432 282 R N 1.196 121.891 120.500 0.326 0.000 2.522 282 R HA 0.205 4.545 4.340 -0.000 0.000 0.283 282 R C -0.917 175.491 176.300 0.180 0.000 1.074 282 R CA -0.380 55.846 56.100 0.210 0.000 0.925 282 R CB 1.383 31.747 30.300 0.107 0.000 1.205 282 R HN 0.767 nan 8.270 nan 0.000 0.436 283 S N 3.096 118.844 115.700 0.079 0.000 2.554 283 S HA -0.070 4.399 4.470 -0.000 0.000 0.290 283 S C 0.064 174.742 174.600 0.129 0.000 1.309 283 S CA -0.061 58.155 58.200 0.026 0.000 1.047 283 S CB 0.710 63.906 63.200 -0.006 0.000 0.828 283 S HN 0.710 nan 8.310 nan 0.000 0.509 284 Y N 2.113 122.336 120.300 -0.128 0.000 3.183 284 Y HA 0.297 4.847 4.550 -0.001 0.000 0.200 284 Y C 0.805 176.699 175.900 -0.010 0.000 0.912 284 Y CA 1.048 59.100 58.100 -0.080 0.000 1.642 284 Y CB 0.098 38.328 38.460 -0.384 0.000 1.447 284 Y HN 1.046 nan 8.280 nan 0.000 0.421 285 T N -2.647 111.800 114.554 -0.178 0.000 2.865 285 T HA 0.512 4.862 4.350 -0.000 0.000 0.294 285 T C 0.618 175.252 174.700 -0.109 0.000 1.119 285 T CA -0.535 61.445 62.100 -0.199 0.000 1.007 285 T CB 1.246 69.960 68.868 -0.257 0.000 1.225 285 T HN 1.118 nan 8.240 nan 0.000 0.515 286 G N 1.253 110.003 108.800 -0.083 0.000 2.143 286 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 286 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 286 G C 0.187 175.044 174.900 -0.072 0.000 0.991 286 G CA 0.105 45.162 45.100 -0.071 0.000 0.689 286 G HN 1.522 nan 8.290 nan 0.000 0.522 287 N N -1.948 116.709 118.700 -0.072 0.000 2.729 287 N HA -0.161 4.578 4.740 -0.000 0.000 0.259 287 N C 1.092 176.554 175.510 -0.080 0.000 1.119 287 N CA 1.251 54.262 53.050 -0.066 0.000 0.679 287 N CB -1.468 36.986 38.487 -0.053 0.000 0.892 287 N HN 0.687 nan 8.380 nan 0.000 0.558 288 M N 0.345 119.893 119.600 -0.087 0.000 2.080 288 M HA -0.205 4.275 4.480 -0.000 0.000 0.260 288 M C 2.033 178.309 176.300 -0.039 0.000 1.068 288 M CA 2.533 57.781 55.300 -0.087 0.000 1.109 288 M CB -0.053 32.487 32.600 -0.099 0.000 1.342 288 M HN 0.503 nan 8.290 nan 0.000 0.405 289 A N 0.142 122.940 122.820 -0.037 0.000 1.917 289 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 289 A C 2.041 179.678 177.584 0.087 0.000 1.182 289 A CA 2.160 54.191 52.037 -0.010 0.000 0.633 289 A CB -1.110 17.777 19.000 -0.188 0.000 0.819 289 A HN 0.712 nan 8.150 nan 0.000 0.448 290 E N -0.269 119.930 120.200 -0.001 0.000 2.077 290 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 290 E C 1.953 178.498 176.600 -0.092 0.000 0.989 290 E CA 1.346 57.740 56.400 -0.010 0.000 0.800 290 E CB -0.200 29.481 29.700 -0.033 0.000 0.746 290 E HN 0.665 nan 8.360 nan 0.000 0.452 291 I N 0.752 121.200 120.570 -0.204 0.000 2.252 291 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 291 I C 2.448 178.123 176.117 -0.737 0.000 1.102 291 I CA 0.583 61.572 61.300 -0.518 0.000 1.385 291 I CB -0.026 37.639 38.000 -0.559 0.000 1.064 291 I HN 0.159 nan 8.210 nan 0.000 0.414 292 L N 0.138 121.157 121.223 -0.339 0.000 2.083 292 L HA -0.222 4.117 4.340 -0.000 0.000 0.209 292 L C 2.771 179.614 176.870 -0.044 0.000 1.083 292 L CA 1.385 56.164 54.840 -0.102 0.000 0.752 292 L CB -0.906 41.314 42.059 0.267 0.000 0.899 292 L HN 0.268 nan 8.230 nan 0.000 0.433 293 A N 0.524 123.389 122.820 0.074 0.000 1.873 293 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 293 A C 2.438 180.026 177.584 0.005 0.000 1.186 293 A CA 1.565 53.638 52.037 0.059 0.000 0.616 293 A CB -1.241 17.889 19.000 0.217 0.000 0.823 293 A HN 0.420 nan 8.150 nan 0.000 0.442 294 G N -1.322 107.447 108.800 -0.051 0.000 2.503 294 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.221 294 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.221 294 G C 1.125 176.065 174.900 0.067 0.000 1.131 294 G CA 1.004 46.083 45.100 -0.034 0.000 0.756 294 G HN 0.612 nan 8.290 nan 0.000 0.572 295 W N 0.210 121.405 121.300 -0.175 0.000 3.077 295 W HA 0.200 4.860 4.660 -0.000 0.000 0.245 295 W C 1.191 177.614 176.519 -0.159 0.000 1.316 295 W CA -0.412 56.750 57.345 -0.305 0.000 1.537 295 W CB -1.195 28.045 29.460 -0.367 0.000 1.131 295 W HN 0.348 nan 8.180 nan 0.000 0.695 296 N N -1.002 117.731 118.700 0.055 0.000 2.725 296 N HA -0.191 4.548 4.740 -0.000 0.000 0.249 296 N C -0.261 175.062 175.510 -0.311 0.000 1.103 296 N CA 0.608 53.618 53.050 -0.066 0.000 0.707 296 N CB -1.562 36.897 38.487 -0.047 0.000 1.043 296 N HN -0.118 nan 8.380 nan 0.000 0.553 297 C N 0.390 119.542 119.300 -0.246 0.000 2.657 297 C HA 0.384 4.844 4.460 -0.000 0.000 0.404 297 C C 0.527 175.220 174.990 -0.496 0.000 1.291 297 C CA -0.289 58.509 59.018 -0.366 0.000 2.218 297 C CB -0.603 27.048 27.740 -0.149 0.000 2.687 297 C HN 0.284 nan 8.230 nan 0.000 0.634 298 F N 1.847 121.670 119.950 -0.211 0.000 2.427 298 F HA 0.551 5.077 4.527 -0.000 0.000 0.346 298 F C 0.058 175.807 175.800 -0.086 0.000 1.120 298 F CA -1.111 56.774 58.000 -0.192 0.000 1.033 298 F CB 0.192 39.185 39.000 -0.012 0.000 1.126 298 F HN 0.330 nan 8.300 nan 0.000 0.462 299 F N 1.457 121.620 119.950 0.355 0.000 2.371 299 F HA 0.222 4.749 4.527 -0.000 0.000 0.329 299 F C 1.063 177.032 175.800 0.281 0.000 1.107 299 F CA -0.971 57.201 58.000 0.286 0.000 1.137 299 F CB 0.224 39.355 39.000 0.217 0.000 1.214 299 F HN 0.434 nan 8.300 nan 0.000 0.536 300 H N 1.171 120.500 119.070 0.431 0.000 3.064 300 H HA 0.093 4.649 4.556 -0.000 0.000 0.329 300 H C 1.174 176.630 175.328 0.214 0.000 1.020 300 H CA 1.356 57.584 56.048 0.300 0.000 1.402 300 H CB 0.366 30.306 29.762 0.297 0.000 1.379 300 H HN 0.883 nan 8.280 nan 0.000 0.594 301 G N 4.020 112.586 108.800 -0.389 0.000 2.153 301 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 301 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 301 G C -0.006 174.870 174.900 -0.040 0.000 0.994 301 G CA 0.653 45.609 45.100 -0.241 0.000 0.698 301 G HN 0.709 nan 8.290 nan 0.000 0.521 302 E N -1.299 118.915 120.200 0.024 0.000 2.299 302 E HA 0.637 4.986 4.350 -0.000 0.000 0.260 302 E C 1.469 178.046 176.600 -0.039 0.000 0.944 302 E CA -0.159 56.262 56.400 0.035 0.000 0.815 302 E CB 0.710 30.483 29.700 0.122 0.000 1.252 302 E HN 0.243 nan 8.360 nan 0.000 0.418 303 E N 0.612 120.764 120.200 -0.080 0.000 2.035 303 E HA -0.199 4.151 4.350 -0.000 0.000 0.204 303 E C 1.387 177.855 176.600 -0.220 0.000 1.025 303 E CA 1.832 58.152 56.400 -0.135 0.000 0.835 303 E CB -1.112 28.505 29.700 -0.138 0.000 0.764 303 E HN 0.909 nan 8.360 nan 0.000 0.457 304 G N -0.770 107.751 108.800 -0.465 0.000 2.131 304 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.201 304 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.201 304 G C 0.278 174.731 174.900 -0.744 0.000 1.000 304 G CA 0.512 45.227 45.100 -0.640 0.000 0.680 304 G HN 0.658 nan 8.290 nan 0.000 0.514 305 R N 0.522 120.530 120.500 -0.819 0.000 2.387 305 R HA 0.509 4.849 4.340 -0.000 0.000 0.314 305 R C -1.488 174.459 176.300 -0.588 0.000 0.958 305 R CA -0.762 55.008 56.100 -0.550 0.000 0.846 305 R CB 0.924 30.950 30.300 -0.455 0.000 1.147 305 R HN 0.058 nan 8.270 nan 0.000 0.447 306 D N 2.840 123.101 120.400 -0.233 0.000 2.454 306 D HA 0.112 4.752 4.640 -0.000 0.000 0.225 306 D C 0.492 176.679 176.300 -0.189 0.000 1.081 306 D CA -0.258 53.731 54.000 -0.018 0.000 0.864 306 D CB 0.693 41.593 40.800 0.167 0.000 1.040 306 D HN 0.651 nan 8.370 nan 0.000 0.517 307 H N 2.325 121.410 119.070 0.025 0.000 2.395 307 H HA -0.070 4.485 4.556 -0.000 0.000 0.299 307 H C 0.702 176.016 175.328 -0.023 0.000 1.070 307 H CA 0.871 56.915 56.048 -0.007 0.000 1.356 307 H CB 0.494 30.253 29.762 -0.005 0.000 1.401 307 H HN 0.505 nan 8.280 nan 0.000 0.524 308 D N 0.909 121.347 120.400 0.063 0.000 2.117 308 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 308 D C 2.397 178.641 176.300 -0.093 0.000 0.987 308 D CA 0.320 54.313 54.000 -0.013 0.000 0.829 308 D CB -0.502 40.278 40.800 -0.034 0.000 0.961 308 D HN 0.161 nan 8.370 nan 0.000 0.460 309 L N 1.230 122.365 121.223 -0.148 0.000 2.013 309 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 309 L C 2.270 179.025 176.870 -0.192 0.000 1.073 309 L CA 1.778 56.459 54.840 -0.265 0.000 0.753 309 L CB -0.270 41.634 42.059 -0.258 0.000 0.890 309 L HN -0.148 nan 8.230 nan 0.000 0.432 310 R N -1.032 119.403 120.500 -0.108 0.000 2.115 310 R HA -0.046 4.294 4.340 -0.000 0.000 0.230 310 R C 2.213 178.531 176.300 0.031 0.000 1.111 310 R CA 1.120 57.195 56.100 -0.042 0.000 0.976 310 R CB -0.478 29.815 30.300 -0.012 0.000 0.870 310 R HN 0.545 nan 8.270 nan 0.000 0.445 311 A N 0.486 123.322 122.820 0.026 0.000 2.014 311 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 311 A C 1.992 179.604 177.584 0.046 0.000 1.163 311 A CA 0.887 52.947 52.037 0.038 0.000 0.652 311 A CB -0.249 18.767 19.000 0.027 0.000 0.808 311 A HN 0.184 nan 8.150 nan 0.000 0.449 312 L N -1.547 119.695 121.223 0.032 0.000 2.217 312 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 312 L C 2.158 179.153 176.870 0.208 0.000 1.107 312 L CA 0.956 55.845 54.840 0.082 0.000 0.783 312 L CB -0.407 41.646 42.059 -0.010 0.000 0.919 312 L HN 0.511 nan 8.230 nan 0.000 0.442 313 H N -1.011 118.078 119.070 0.032 0.000 2.539 313 H HA 0.132 4.688 4.556 -0.000 0.000 0.267 313 H C 1.018 176.370 175.328 0.039 0.000 0.982 313 H CA 0.209 56.291 56.048 0.056 0.000 1.146 313 H CB 0.385 30.182 29.762 0.058 0.000 1.382 313 H HN 0.443 nan 8.280 nan 0.000 0.577 314 Q N 0.000 119.876 119.800 0.127 0.000 2.315 314 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 314 Q CA 0.000 55.848 55.803 0.075 0.000 1.022 314 Q CB 0.000 28.780 28.738 0.070 0.000 1.108 314 Q HN 0.000 nan 8.270 nan 0.000 0.481