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 1fk8_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MSIIVISGCA TGIGAATRKV LEAAGHQIVG IDIRDAEVIA DLSTAEGRKQ DATA SEQUENCE AIADVLAKCS KGMDGLVLCA GLGPQTKVLG NVVSVNYFGA TELMDAFLPA DATA SEQUENCE LKKGHQPAAV VISSVASAHL AFDKNPLALA LEAGEEAKAR AIVEHAGEQG DATA SEQUENCE GNLAYAGSKN ALTVAVRKRA AAWGEAGVRL NTIAPGAXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXFV PPMGRRAEPS EMASVIAFLM SPAASYVHGA QIVIDGGIDA DATA SEQUENCE VMRPTQF 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1001 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1001 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 1002 S N 1.892 117.608 115.700 0.026 0.000 2.488 1002 S HA 0.682 5.151 4.470 -0.001 0.000 0.310 1002 S C -0.720 173.953 174.600 0.120 0.000 1.093 1002 S CA -0.622 57.637 58.200 0.098 0.000 1.129 1002 S CB -0.444 62.871 63.200 0.192 0.000 0.989 1002 S HN 0.303 nan 8.310 nan 0.000 0.479 1003 I N 5.547 126.141 120.570 0.039 0.000 2.365 1003 I HA 0.426 4.595 4.170 -0.001 0.000 0.291 1003 I C -0.163 175.923 176.117 -0.053 0.000 1.004 1003 I CA -0.392 60.906 61.300 -0.004 0.000 1.311 1003 I CB 1.128 39.106 38.000 -0.036 0.000 1.401 1003 I HN 0.449 nan 8.210 nan 0.000 0.491 1004 I N 6.560 127.087 120.570 -0.071 0.000 2.447 1004 I HA 0.303 4.472 4.170 -0.001 0.000 0.287 1004 I C -0.502 175.565 176.117 -0.083 0.000 1.023 1004 I CA -0.814 60.418 61.300 -0.113 0.000 1.083 1004 I CB 2.193 40.078 38.000 -0.191 0.000 1.245 1004 I HN 0.188 nan 8.210 nan 0.000 0.434 1005 V N 7.487 127.343 119.914 -0.097 0.000 2.465 1005 V HA 0.408 4.528 4.120 -0.001 0.000 0.279 1005 V C 0.093 176.172 176.094 -0.026 0.000 1.045 1005 V CA -0.177 62.067 62.300 -0.093 0.000 0.938 1005 V CB 1.481 33.177 31.823 -0.213 0.000 0.986 1005 V HN 0.444 nan 8.190 nan 0.000 0.467 1006 I N 4.567 125.135 120.570 -0.002 0.000 2.468 1006 I HA 0.351 4.521 4.170 -0.001 0.000 0.285 1006 I C 0.231 176.372 176.117 0.041 0.000 1.039 1006 I CA -0.278 61.035 61.300 0.021 0.000 1.074 1006 I CB 2.075 40.082 38.000 0.012 0.000 1.228 1006 I HN 0.679 nan 8.210 nan 0.000 0.436 1007 S N 3.618 119.354 115.700 0.060 0.000 2.610 1007 S HA 0.634 5.103 4.470 -0.001 0.000 0.273 1007 S C 1.018 175.646 174.600 0.047 0.000 1.274 1007 S CA 0.231 58.470 58.200 0.065 0.000 1.023 1007 S CB 1.597 64.846 63.200 0.082 0.000 0.962 1007 S HN 1.190 nan 8.310 nan 0.000 0.523 1008 G N 0.270 109.097 108.800 0.045 0.000 2.198 1008 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.260 1008 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.260 1008 G C 0.851 175.771 174.900 0.034 0.000 1.025 1008 G CA 0.377 45.500 45.100 0.039 0.000 0.769 1008 G HN 1.911 nan 8.290 nan 0.000 0.507 1009 C N -1.980 117.339 119.300 0.032 0.000 2.456 1009 C HA 0.549 5.008 4.460 -0.001 0.000 0.279 1009 C C 3.006 178.011 174.990 0.025 0.000 1.427 1009 C CA 0.777 59.811 59.018 0.027 0.000 1.778 1009 C CB -0.963 26.791 27.740 0.024 0.000 1.842 1009 C HN 1.352 nan 8.230 nan 0.000 0.531 1010 A N 1.481 124.316 122.820 0.026 0.000 1.933 1010 A HA 0.224 4.543 4.320 -0.001 0.000 0.218 1010 A C 1.417 179.014 177.584 0.022 0.000 1.175 1010 A CA 2.127 54.178 52.037 0.023 0.000 0.628 1010 A CB -0.758 18.257 19.000 0.024 0.000 0.814 1010 A HN 0.868 nan 8.150 nan 0.000 0.444 1011 T N -6.642 107.926 114.554 0.024 0.000 2.696 1011 T HA 0.579 4.928 4.350 -0.001 0.000 0.291 1011 T C 0.901 175.615 174.700 0.023 0.000 1.095 1011 T CA 0.294 62.407 62.100 0.022 0.000 1.026 1011 T CB 0.861 69.742 68.868 0.021 0.000 1.390 1011 T HN 1.911 nan 8.240 nan 0.000 0.513 1012 G N 0.783 109.596 108.800 0.021 0.000 2.652 1012 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.318 1012 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.318 1012 G C 0.967 175.881 174.900 0.023 0.000 1.295 1012 G CA 0.683 45.796 45.100 0.022 0.000 0.999 1012 G HN 1.126 nan 8.290 nan 0.000 0.548 1013 I N 1.710 122.296 120.570 0.026 0.000 2.286 1013 I HA -0.075 4.094 4.170 -0.001 0.000 0.248 1013 I C 3.090 179.222 176.117 0.026 0.000 1.115 1013 I CA 1.727 63.042 61.300 0.026 0.000 1.392 1013 I CB -0.818 37.198 38.000 0.028 0.000 1.065 1013 I HN 0.603 nan 8.210 nan 0.000 0.418 1014 G N 0.633 109.449 108.800 0.027 0.000 2.418 1014 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.217 1014 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.217 1014 G C 1.868 176.783 174.900 0.025 0.000 1.158 1014 G CA 0.854 45.970 45.100 0.026 0.000 0.771 1014 G HN 0.494 nan 8.290 nan 0.000 0.545 1015 A N 1.062 123.897 122.820 0.024 0.000 1.898 1015 A HA 0.366 4.685 4.320 -0.001 0.000 0.216 1015 A C 2.789 180.387 177.584 0.023 0.000 1.181 1015 A CA 2.069 54.120 52.037 0.022 0.000 0.620 1015 A CB -0.711 18.301 19.000 0.020 0.000 0.819 1015 A HN 0.740 nan 8.150 nan 0.000 0.442 1016 A N -1.041 121.793 122.820 0.023 0.000 1.969 1016 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 1016 A C 2.255 179.856 177.584 0.029 0.000 1.169 1016 A CA 2.148 54.200 52.037 0.024 0.000 0.635 1016 A CB -1.064 17.950 19.000 0.023 0.000 0.810 1016 A HN 0.417 nan 8.150 nan 0.000 0.445 1017 T N -0.740 113.832 114.554 0.029 0.000 2.857 1017 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 1017 T C 2.046 176.766 174.700 0.033 0.000 1.048 1017 T CA 1.403 63.522 62.100 0.031 0.000 1.139 1017 T CB -0.204 68.680 68.868 0.026 0.000 0.874 1017 T HN 0.617 nan 8.240 nan 0.000 0.455 1018 R N 1.418 121.936 120.500 0.029 0.000 2.091 1018 R HA -0.088 4.252 4.340 -0.001 0.000 0.238 1018 R C 2.427 178.749 176.300 0.037 0.000 1.136 1018 R CA 1.633 57.752 56.100 0.030 0.000 0.959 1018 R CB -0.174 30.141 30.300 0.025 0.000 0.856 1018 R HN 0.270 nan 8.270 nan 0.000 0.437 1019 K N 0.104 120.524 120.400 0.032 0.000 2.009 1019 K HA -0.142 4.177 4.320 -0.001 0.000 0.210 1019 K C 1.937 178.560 176.600 0.038 0.000 1.049 1019 K CA 1.810 58.115 56.287 0.031 0.000 0.929 1019 K CB -0.304 32.212 32.500 0.026 0.000 0.714 1019 K HN 0.201 nan 8.250 nan 0.000 0.440 1020 V N 1.453 121.394 119.914 0.044 0.000 2.427 1020 V HA -0.163 3.956 4.120 -0.001 0.000 0.248 1020 V C 2.109 178.249 176.094 0.076 0.000 1.051 1020 V CA 1.376 63.708 62.300 0.053 0.000 1.048 1020 V CB -0.146 31.710 31.823 0.054 0.000 0.666 1020 V HN 0.345 nan 8.190 nan 0.000 0.456 1021 L N -0.518 120.761 121.223 0.092 0.000 2.156 1021 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 1021 L C 2.512 179.484 176.870 0.170 0.000 1.095 1021 L CA 1.567 56.508 54.840 0.169 0.000 0.770 1021 L CB -0.500 41.629 42.059 0.116 0.000 0.914 1021 L HN 0.394 nan 8.230 nan 0.000 0.439 1022 E N 0.267 120.523 120.200 0.094 0.000 2.152 1022 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 1022 E C 2.231 178.847 176.600 0.027 0.000 0.983 1022 E CA 0.913 57.350 56.400 0.061 0.000 0.818 1022 E CB -0.036 29.689 29.700 0.041 0.000 0.758 1022 E HN 0.453 nan 8.360 nan 0.000 0.467 1023 A N 0.940 123.778 122.820 0.030 0.000 2.121 1023 A HA 0.019 4.338 4.320 -0.001 0.000 0.218 1023 A C 2.108 179.688 177.584 -0.007 0.000 1.154 1023 A CA 1.262 53.306 52.037 0.012 0.000 0.679 1023 A CB -0.169 18.843 19.000 0.020 0.000 0.795 1023 A HN 0.241 nan 8.150 nan 0.000 0.458 1024 A N -1.915 120.900 122.820 -0.008 0.000 2.275 1024 A HA 0.451 4.770 4.320 -0.001 0.000 0.212 1024 A C 1.569 179.020 177.584 -0.222 0.000 1.201 1024 A CA 1.005 52.999 52.037 -0.072 0.000 0.843 1024 A CB -0.616 18.382 19.000 -0.004 0.000 0.873 1024 A HN 1.764 nan 8.150 nan 0.000 0.492 1025 G N -0.771 107.929 108.800 -0.166 0.000 2.131 1025 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.223 1025 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.223 1025 G C -0.102 174.659 174.900 -0.231 0.000 0.990 1025 G CA 0.084 45.070 45.100 -0.190 0.000 0.671 1025 G HN 0.621 nan 8.290 nan 0.000 0.521 1026 H N -0.051 119.015 119.070 -0.007 0.000 2.472 1026 H HA 0.494 5.053 4.556 0.006 0.000 0.335 1026 H C 0.302 175.623 175.328 -0.011 0.000 1.136 1026 H CA -0.093 55.949 56.048 -0.010 0.000 1.264 1026 H CB 1.444 31.203 29.762 -0.004 0.000 1.486 1026 H HN 0.416 nan 8.280 nan 0.000 0.517 1027 Q N 2.746 122.620 119.800 0.124 0.000 2.303 1027 Q HA 0.273 4.613 4.340 -0.001 0.000 0.257 1027 Q C -0.878 175.148 176.000 0.043 0.000 0.941 1027 Q CA -0.772 55.064 55.803 0.055 0.000 0.931 1027 Q CB 0.499 29.254 28.738 0.028 0.000 1.215 1027 Q HN 0.412 nan 8.270 nan 0.000 0.437 1028 I N 4.366 124.953 120.570 0.029 0.000 2.359 1028 I HA 0.267 4.436 4.170 -0.001 0.000 0.294 1028 I C -0.344 175.770 176.117 -0.006 0.000 0.987 1028 I CA -0.727 60.579 61.300 0.010 0.000 1.225 1028 I CB 1.525 39.535 38.000 0.017 0.000 1.366 1028 I HN 0.408 nan 8.210 nan 0.000 0.466 1029 V N 5.869 125.768 119.914 -0.024 0.000 2.293 1029 V HA 0.497 4.616 4.120 -0.001 0.000 0.275 1029 V C 0.714 176.796 176.094 -0.020 0.000 1.021 1029 V CA -0.526 61.755 62.300 -0.030 0.000 0.815 1029 V CB 1.196 32.981 31.823 -0.064 0.000 1.025 1029 V HN 0.936 nan 8.190 nan 0.000 0.448 1030 G N 4.860 113.659 108.800 -0.001 0.000 2.476 1030 G HA2 0.723 4.682 3.960 -0.001 0.000 0.286 1030 G HA3 0.723 4.682 3.960 -0.001 0.000 0.286 1030 G C -0.710 174.205 174.900 0.025 0.000 1.177 1030 G CA -0.460 44.648 45.100 0.013 0.000 0.870 1030 G HN 0.601 nan 8.290 nan 0.000 0.528 1031 I N 1.264 121.858 120.570 0.040 0.000 2.478 1031 I HA 0.438 4.608 4.170 -0.001 0.000 0.287 1031 I C -1.040 175.107 176.117 0.050 0.000 1.042 1031 I CA -0.567 60.767 61.300 0.056 0.000 1.067 1031 I CB 2.219 40.273 38.000 0.089 0.000 1.233 1031 I HN 0.378 nan 8.210 nan 0.000 0.431 1032 D N 3.371 123.797 120.400 0.044 0.000 2.738 1032 D HA 0.258 4.897 4.640 -0.001 0.000 0.308 1032 D C 0.109 176.431 176.300 0.036 0.000 1.311 1032 D CA -0.436 53.587 54.000 0.040 0.000 0.799 1032 D CB 1.675 42.495 40.800 0.034 0.000 1.332 1032 D HN 0.387 nan 8.370 nan 0.000 0.441 1033 I N -0.711 119.879 120.570 0.033 0.000 3.291 1033 I HA 0.235 4.405 4.170 -0.001 0.000 0.279 1033 I C 0.862 176.994 176.117 0.025 0.000 1.294 1033 I CA 0.676 61.994 61.300 0.029 0.000 1.428 1033 I CB -0.272 37.745 38.000 0.029 0.000 1.070 1033 I HN 0.384 nan 8.210 nan 0.000 0.478 1034 R N -1.000 119.514 120.500 0.024 0.000 2.728 1034 R HA 0.247 4.586 4.340 -0.001 0.000 0.274 1034 R C -0.925 175.387 176.300 0.020 0.000 1.032 1034 R CA -0.664 55.448 56.100 0.021 0.000 0.866 1034 R CB 0.059 30.370 30.300 0.019 0.000 1.263 1034 R HN -0.080 nan 8.270 nan 0.000 0.475 1035 D N -0.209 120.201 120.400 0.017 0.000 2.689 1035 D HA -0.189 4.450 4.640 -0.001 0.000 0.237 1035 D C -1.333 174.977 176.300 0.018 0.000 1.148 1035 D CA 1.729 55.739 54.000 0.016 0.000 0.656 1035 D CB -0.814 39.996 40.800 0.016 0.000 1.050 1035 D HN 0.835 nan 8.370 nan 0.000 0.426 1036 A N 0.049 122.880 122.820 0.018 0.000 2.572 1036 A HA 0.563 4.882 4.320 -0.001 0.000 0.295 1036 A C 0.771 178.365 177.584 0.017 0.000 1.072 1036 A CA -0.452 51.597 52.037 0.019 0.000 0.691 1036 A CB 1.257 20.272 19.000 0.024 0.000 1.291 1036 A HN -0.045 nan 8.150 nan 0.000 0.404 1037 E N -0.157 120.051 120.200 0.013 0.000 2.153 1037 E HA -0.001 4.349 4.350 -0.001 0.000 0.194 1037 E C 0.206 176.815 176.600 0.014 0.000 0.988 1037 E CA 1.506 57.912 56.400 0.010 0.000 0.811 1037 E CB 0.030 29.732 29.700 0.003 0.000 0.746 1037 E HN 0.363 nan 8.360 nan 0.000 0.466 1038 V N 2.234 122.160 119.914 0.020 0.000 2.326 1038 V HA 0.168 4.287 4.120 -0.001 0.000 0.281 1038 V C -0.487 175.627 176.094 0.034 0.000 1.015 1038 V CA -0.655 61.663 62.300 0.030 0.000 0.823 1038 V CB 1.255 33.102 31.823 0.041 0.000 1.009 1038 V HN 0.088 nan 8.190 nan 0.000 0.436 1039 I N 4.655 125.243 120.570 0.030 0.000 2.396 1039 I HA 0.689 4.858 4.170 -0.001 0.000 0.289 1039 I C 0.504 176.642 176.117 0.035 0.000 1.056 1039 I CA 0.392 61.710 61.300 0.030 0.000 1.365 1039 I CB 0.884 38.898 38.000 0.024 0.000 1.407 1039 I HN 0.737 nan 8.210 nan 0.000 0.509 1040 A N 5.695 128.538 122.820 0.038 0.000 2.604 1040 A HA 0.529 4.849 4.320 -0.001 0.000 0.295 1040 A C -1.331 176.277 177.584 0.040 0.000 1.067 1040 A CA -0.664 51.397 52.037 0.041 0.000 0.683 1040 A CB 1.845 20.876 19.000 0.052 0.000 1.281 1040 A HN 0.549 nan 8.150 nan 0.000 0.407 1041 D N 1.911 122.333 120.400 0.037 0.000 2.441 1041 D HA 0.431 5.070 4.640 -0.001 0.000 0.231 1041 D C 0.318 176.643 176.300 0.042 0.000 1.073 1041 D CA -0.282 53.741 54.000 0.038 0.000 0.850 1041 D CB 1.012 41.831 40.800 0.032 0.000 1.062 1041 D HN 0.410 nan 8.370 nan 0.000 0.524 1042 L N 2.645 123.897 121.223 0.050 0.000 2.627 1042 L HA -0.011 4.328 4.340 -0.001 0.000 0.233 1042 L C 2.058 178.969 176.870 0.069 0.000 1.144 1042 L CA 0.148 55.022 54.840 0.057 0.000 0.892 1042 L CB -0.263 41.833 42.059 0.061 0.000 1.039 1042 L HN 0.308 nan 8.230 nan 0.000 0.442 1043 S N -1.758 113.979 115.700 0.061 0.000 2.561 1043 S HA -0.021 4.448 4.470 -0.001 0.000 0.225 1043 S C 0.967 175.600 174.600 0.055 0.000 0.977 1043 S CA 0.265 58.507 58.200 0.070 0.000 0.926 1043 S CB -0.524 62.712 63.200 0.059 0.000 0.769 1043 S HN 0.477 nan 8.310 nan 0.000 0.533 1044 T N -3.249 111.326 114.554 0.034 0.000 2.907 1044 T HA 0.816 5.165 4.350 -0.001 0.000 0.292 1044 T C 1.036 175.729 174.700 -0.012 0.000 1.043 1044 T CA -0.376 61.727 62.100 0.006 0.000 1.003 1044 T CB 1.554 70.424 68.868 0.004 0.000 1.084 1044 T HN 0.089 nan 8.240 nan 0.000 0.483 1045 A N 0.854 123.644 122.820 -0.049 0.000 1.902 1045 A HA -0.031 4.288 4.320 -0.001 0.000 0.217 1045 A C 2.142 179.705 177.584 -0.034 0.000 1.181 1045 A CA 1.974 53.972 52.037 -0.066 0.000 0.623 1045 A CB -1.078 17.861 19.000 -0.102 0.000 0.818 1045 A HN 0.918 nan 8.150 nan 0.000 0.443 1046 E N 0.059 120.246 120.200 -0.022 0.000 2.150 1046 E HA -0.018 4.332 4.350 -0.001 0.000 0.193 1046 E C 1.956 178.557 176.600 0.002 0.000 0.985 1046 E CA 1.285 57.679 56.400 -0.010 0.000 0.814 1046 E CB -0.738 28.957 29.700 -0.007 0.000 0.752 1046 E HN 0.420 nan 8.360 nan 0.000 0.466 1047 G N 0.225 109.029 108.800 0.006 0.000 2.402 1047 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.216 1047 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.216 1047 G C 1.681 176.595 174.900 0.023 0.000 1.162 1047 G CA 0.720 45.831 45.100 0.018 0.000 0.777 1047 G HN 0.208 nan 8.290 nan 0.000 0.539 1048 R N -0.091 120.419 120.500 0.016 0.000 2.066 1048 R HA 0.023 4.362 4.340 -0.001 0.000 0.232 1048 R C 2.598 178.901 176.300 0.005 0.000 1.131 1048 R CA 1.179 57.287 56.100 0.013 0.000 0.955 1048 R CB -0.180 30.122 30.300 0.003 0.000 0.851 1048 R HN 0.057 nan 8.270 nan 0.000 0.432 1049 K N 0.698 121.097 120.400 -0.003 0.000 2.044 1049 K HA -0.203 4.117 4.320 -0.001 0.000 0.210 1049 K C 2.061 178.673 176.600 0.021 0.000 1.049 1049 K CA 1.524 57.811 56.287 -0.001 0.000 0.927 1049 K CB -0.319 32.177 32.500 -0.006 0.000 0.713 1049 K HN 0.013 nan 8.250 nan 0.000 0.443 1050 Q N 0.009 119.824 119.800 0.024 0.000 2.079 1050 Q HA 0.047 4.387 4.340 -0.001 0.000 0.200 1050 Q C 1.815 177.847 176.000 0.055 0.000 0.974 1050 Q CA 1.858 57.682 55.803 0.034 0.000 0.840 1050 Q CB -0.401 28.353 28.738 0.027 0.000 0.898 1050 Q HN 0.256 nan 8.270 nan 0.000 0.430 1051 A N 0.134 122.991 122.820 0.062 0.000 1.902 1051 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 1051 A C 2.145 179.825 177.584 0.160 0.000 1.181 1051 A CA 1.473 53.568 52.037 0.096 0.000 0.623 1051 A CB -0.731 18.324 19.000 0.092 0.000 0.818 1051 A HN 0.467 nan 8.150 nan 0.000 0.443 1052 I N -0.356 120.297 120.570 0.137 0.000 2.226 1052 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 1052 I C 2.970 179.226 176.117 0.231 0.000 1.100 1052 I CA 1.076 62.503 61.300 0.211 0.000 1.374 1052 I CB -0.289 37.719 38.000 0.013 0.000 1.057 1052 I HN 0.364 nan 8.210 nan 0.000 0.413 1053 A N 0.358 123.251 122.820 0.122 0.000 1.898 1053 A HA -0.226 4.093 4.320 -0.001 0.000 0.216 1053 A C 1.959 179.592 177.584 0.082 0.000 1.181 1053 A CA 1.946 54.037 52.037 0.091 0.000 0.620 1053 A CB -0.568 18.465 19.000 0.055 0.000 0.819 1053 A HN 0.337 nan 8.150 nan 0.000 0.442 1054 D N -0.293 120.154 120.400 0.078 0.000 2.144 1054 D HA -0.100 4.539 4.640 -0.001 0.000 0.199 1054 D C 2.069 178.395 176.300 0.044 0.000 0.984 1054 D CA 1.378 55.410 54.000 0.054 0.000 0.834 1054 D CB -0.339 40.492 40.800 0.051 0.000 0.955 1054 D HN 0.229 nan 8.370 nan 0.000 0.465 1055 V N 0.997 120.954 119.914 0.071 0.000 2.283 1055 V HA -0.172 3.947 4.120 -0.001 0.000 0.243 1055 V C 2.649 178.708 176.094 -0.057 0.000 1.039 1055 V CA 0.980 63.267 62.300 -0.022 0.000 1.016 1055 V CB -0.426 31.346 31.823 -0.084 0.000 0.650 1055 V HN 0.183 nan 8.190 nan 0.000 0.449 1056 L N 0.211 121.455 121.223 0.034 0.000 2.187 1056 L HA -0.185 4.154 4.340 -0.001 0.000 0.213 1056 L C 2.615 179.488 176.870 0.005 0.000 1.100 1056 L CA 1.377 56.233 54.840 0.026 0.000 0.765 1056 L CB -0.725 41.401 42.059 0.113 0.000 0.904 1056 L HN 0.391 nan 8.230 nan 0.000 0.437 1057 A N 0.024 122.852 122.820 0.014 0.000 1.969 1057 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 1057 A C 2.204 179.782 177.584 -0.010 0.000 1.169 1057 A CA 1.331 53.372 52.037 0.006 0.000 0.635 1057 A CB -0.185 18.823 19.000 0.013 0.000 0.810 1057 A HN 0.357 nan 8.150 nan 0.000 0.445 1058 K N -1.580 118.806 120.400 -0.024 0.000 2.393 1058 K HA 0.119 4.439 4.320 -0.001 0.000 0.193 1058 K C -0.105 176.467 176.600 -0.048 0.000 1.026 1058 K CA 0.311 56.578 56.287 -0.033 0.000 1.064 1058 K CB 0.168 32.646 32.500 -0.037 0.000 0.833 1058 K HN 0.441 nan 8.250 nan 0.000 0.521 1059 C N 1.442 120.706 119.300 -0.060 0.000 2.751 1059 C HA 0.134 4.593 4.460 -0.001 0.000 0.248 1059 C C 1.841 176.805 174.990 -0.045 0.000 1.710 1059 C CA -0.753 58.223 59.018 -0.069 0.000 1.676 1059 C CB -0.851 26.812 27.740 -0.128 0.000 3.106 1059 C HN 0.432 nan 8.230 nan 0.000 0.502 1060 S N 1.017 116.701 115.700 -0.027 0.000 2.419 1060 S HA -0.148 4.321 4.470 -0.001 0.000 0.235 1060 S C 1.544 176.134 174.600 -0.017 0.000 1.019 1060 S CA 1.234 59.424 58.200 -0.016 0.000 0.982 1060 S CB -0.150 63.044 63.200 -0.010 0.000 0.789 1060 S HN 0.640 nan 8.310 nan 0.000 0.490 1061 K N 1.635 122.023 120.400 -0.021 0.000 2.404 1061 K HA 0.358 4.677 4.320 -0.001 0.000 0.194 1061 K C 1.141 177.728 176.600 -0.021 0.000 1.023 1061 K CA 0.598 56.874 56.287 -0.018 0.000 1.094 1061 K CB 0.115 32.606 32.500 -0.015 0.000 0.841 1061 K HN 0.583 nan 8.250 nan 0.000 0.523 1062 G N 1.965 110.746 108.800 -0.031 0.000 2.434 1062 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.671 1062 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.671 1062 G C -0.817 174.052 174.900 -0.052 0.000 1.280 1062 G CA -0.485 44.591 45.100 -0.039 0.000 0.975 1062 G HN 0.161 nan 8.290 nan 0.000 0.510 1063 M N -1.627 117.939 119.600 -0.056 0.000 2.550 1063 M HA 0.791 5.271 4.480 -0.001 0.000 0.292 1063 M C -0.654 175.627 176.300 -0.031 0.000 1.221 1063 M CA -0.922 54.339 55.300 -0.064 0.000 0.873 1063 M CB 2.305 34.830 32.600 -0.125 0.000 1.727 1063 M HN 0.228 nan 8.290 nan 0.000 0.459 1064 D N 1.051 121.438 120.400 -0.021 0.000 2.327 1064 D HA 0.354 4.994 4.640 -0.001 0.000 0.205 1064 D C 0.567 176.853 176.300 -0.024 0.000 0.989 1064 D CA 0.926 54.930 54.000 0.007 0.000 0.873 1064 D CB 0.797 41.626 40.800 0.047 0.000 0.955 1064 D HN 0.853 nan 8.370 nan 0.000 0.515 1065 G N -0.270 108.496 108.800 -0.058 0.000 2.677 1065 G HA2 0.542 4.501 3.960 -0.001 0.000 0.291 1065 G HA3 0.542 4.501 3.960 -0.001 0.000 0.291 1065 G C -2.199 172.682 174.900 -0.031 0.000 1.435 1065 G CA -0.582 44.487 45.100 -0.052 0.000 0.826 1065 G HN 0.031 nan 8.290 nan 0.000 0.491 1066 L N 0.376 121.610 121.223 0.019 0.000 2.505 1066 L HA 0.780 5.119 4.340 -0.001 0.000 0.266 1066 L C -1.340 175.556 176.870 0.043 0.000 0.954 1066 L CA -0.686 54.188 54.840 0.057 0.000 0.852 1066 L CB 2.287 44.453 42.059 0.178 0.000 1.282 1066 L HN 0.479 nan 8.230 nan 0.000 0.403 1067 V N 6.195 126.127 119.914 0.031 0.000 2.482 1067 V HA 0.438 4.558 4.120 -0.001 0.000 0.295 1067 V C -0.354 175.759 176.094 0.033 0.000 1.026 1067 V CA -0.470 61.840 62.300 0.017 0.000 0.856 1067 V CB 1.594 33.418 31.823 0.002 0.000 1.001 1067 V HN 0.610 nan 8.190 nan 0.000 0.424 1068 L N 4.304 125.540 121.223 0.022 0.000 2.270 1068 L HA 0.336 4.675 4.340 -0.001 0.000 0.286 1068 L C 0.456 177.331 176.870 0.008 0.000 1.059 1068 L CA -0.187 54.667 54.840 0.023 0.000 0.839 1068 L CB 0.760 42.821 42.059 0.003 0.000 1.221 1068 L HN 0.759 nan 8.230 nan 0.000 0.431 1069 C N 1.249 120.562 119.300 0.022 0.000 3.070 1069 C HA 0.306 4.766 4.460 -0.001 0.000 0.280 1069 C C 1.602 176.610 174.990 0.030 0.000 1.264 1069 C CA -0.664 58.367 59.018 0.022 0.000 1.690 1069 C CB -0.362 27.393 27.740 0.026 0.000 2.049 1069 C HN 0.817 nan 8.230 nan 0.000 0.636 1070 A N 1.198 124.038 122.820 0.033 0.000 2.546 1070 A HA 0.512 4.832 4.320 -0.001 0.000 0.243 1070 A C 0.565 178.174 177.584 0.042 0.000 1.063 1070 A CA 1.210 53.271 52.037 0.041 0.000 0.757 1070 A CB -0.340 18.686 19.000 0.044 0.000 0.991 1070 A HN 0.770 nan 8.150 nan 0.000 0.503 1071 G N 0.458 109.294 108.800 0.060 0.000 2.579 1071 G HA2 0.530 4.489 3.960 -0.001 0.000 0.292 1071 G HA3 0.530 4.489 3.960 -0.001 0.000 0.292 1071 G C -1.544 173.422 174.900 0.109 0.000 1.484 1071 G CA -0.763 44.387 45.100 0.083 0.000 0.813 1071 G HN 0.751 nan 8.290 nan 0.000 0.515 1072 L N 0.699 122.011 121.223 0.148 0.000 2.386 1072 L HA 0.717 5.056 4.340 -0.001 0.000 0.271 1072 L C 0.933 177.940 176.870 0.228 0.000 0.993 1072 L CA -0.869 54.056 54.840 0.142 0.000 0.819 1072 L CB 2.292 44.418 42.059 0.111 0.000 1.294 1072 L HN 0.797 nan 8.230 nan 0.000 0.414 1073 G N 1.851 110.711 108.800 0.101 0.000 2.557 1073 G HA2 0.569 4.528 3.960 -0.001 0.000 0.292 1073 G HA3 0.569 4.528 3.960 -0.001 0.000 0.292 1073 G C -2.625 172.238 174.900 -0.061 0.000 1.237 1073 G CA -1.127 43.924 45.100 -0.082 0.000 0.978 1073 G HN 0.331 nan 8.290 nan 0.000 0.498 1074 P HA 0.093 nan 4.420 nan 0.000 0.270 1074 P C -0.344 176.929 177.300 -0.045 0.000 1.223 1074 P CA 0.251 63.315 63.100 -0.061 0.000 0.785 1074 P CB 0.964 32.602 31.700 -0.103 0.000 0.923 1075 Q N -0.707 119.089 119.800 -0.007 0.000 2.470 1075 Q HA -0.120 4.219 4.340 -0.001 0.000 0.290 1075 Q C -1.422 174.579 176.000 0.001 0.000 1.353 1075 Q CA 0.892 56.691 55.803 -0.007 0.000 0.787 1075 Q CB -2.615 26.111 28.738 -0.020 0.000 1.158 1075 Q HN 0.504 nan 8.270 nan 0.000 0.426 1076 T N 0.792 115.356 114.554 0.017 0.000 2.824 1076 T HA 0.381 4.730 4.350 -0.001 0.000 0.280 1076 T C 1.136 175.848 174.700 0.021 0.000 0.995 1076 T CA -0.239 61.876 62.100 0.024 0.000 1.009 1076 T CB 1.378 70.272 68.868 0.044 0.000 0.955 1076 T HN 0.308 nan 8.240 nan 0.000 0.452 1077 K N 1.198 121.608 120.400 0.017 0.000 1.998 1077 K HA -0.126 4.193 4.320 -0.001 0.000 0.228 1077 K C 1.042 177.651 176.600 0.014 0.000 1.053 1077 K CA 1.371 57.665 56.287 0.013 0.000 0.988 1077 K CB -0.260 32.248 32.500 0.012 0.000 0.735 1077 K HN 0.387 nan 8.250 nan 0.000 0.448 1078 V N 2.644 122.569 119.914 0.020 0.000 2.353 1078 V HA 0.071 4.191 4.120 -0.001 0.000 0.264 1078 V C 0.987 177.101 176.094 0.033 0.000 1.049 1078 V CA -0.026 62.287 62.300 0.021 0.000 0.896 1078 V CB 0.417 32.254 31.823 0.022 0.000 1.025 1078 V HN 0.307 nan 8.190 nan 0.000 0.475 1079 L N 5.405 126.647 121.223 0.031 0.000 2.187 1079 L HA -0.023 4.317 4.340 -0.001 0.000 0.213 1079 L C 2.477 179.382 176.870 0.059 0.000 1.100 1079 L CA 1.672 56.539 54.840 0.046 0.000 0.765 1079 L CB -0.634 41.448 42.059 0.038 0.000 0.904 1079 L HN 0.789 nan 8.230 nan 0.000 0.437 1080 G N -0.079 108.754 108.800 0.055 0.000 2.462 1080 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.220 1080 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.220 1080 G C 1.368 176.320 174.900 0.086 0.000 1.121 1080 G CA 0.615 45.757 45.100 0.070 0.000 0.758 1080 G HN 0.346 nan 8.290 nan 0.000 0.559 1081 N N 0.267 119.012 118.700 0.075 0.000 2.309 1081 N HA -0.068 4.672 4.740 -0.001 0.000 0.182 1081 N C 2.311 177.878 175.510 0.096 0.000 1.018 1081 N CA 0.767 53.866 53.050 0.082 0.000 0.876 1081 N CB -0.271 38.255 38.487 0.064 0.000 0.972 1081 N HN 0.210 nan 8.380 nan 0.000 0.434 1082 V N 0.579 120.550 119.914 0.094 0.000 2.295 1082 V HA -0.171 3.949 4.120 -0.001 0.000 0.246 1082 V C 2.357 178.510 176.094 0.099 0.000 1.049 1082 V CA 1.230 63.595 62.300 0.109 0.000 1.024 1082 V CB -0.506 31.392 31.823 0.125 0.000 0.648 1082 V HN 0.065 nan 8.190 nan 0.000 0.447 1083 V N -0.425 119.548 119.914 0.098 0.000 2.307 1083 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 1083 V C 2.547 178.747 176.094 0.177 0.000 1.045 1083 V CA 2.196 64.553 62.300 0.095 0.000 1.024 1083 V CB -0.659 31.220 31.823 0.093 0.000 0.651 1083 V HN 0.526 nan 8.190 nan 0.000 0.449 1084 S N -0.010 115.830 115.700 0.233 0.000 2.356 1084 S HA -0.159 4.310 4.470 -0.001 0.000 0.223 1084 S C 1.993 176.743 174.600 0.250 0.000 1.032 1084 S CA 1.632 60.035 58.200 0.338 0.000 1.005 1084 S CB -0.185 63.143 63.200 0.214 0.000 0.867 1084 S HN 0.376 nan 8.310 nan 0.000 0.449 1085 V N 2.582 122.586 119.914 0.151 0.000 2.283 1085 V HA -0.097 4.022 4.120 -0.001 0.000 0.243 1085 V C 2.032 178.168 176.094 0.070 0.000 1.039 1085 V CA 1.499 63.862 62.300 0.105 0.000 1.016 1085 V CB -0.848 31.026 31.823 0.085 0.000 0.650 1085 V HN 0.362 nan 8.190 nan 0.000 0.449 1086 N N -0.830 117.905 118.700 0.058 0.000 2.166 1086 N HA -0.168 4.572 4.740 -0.001 0.000 0.186 1086 N C 1.596 177.093 175.510 -0.021 0.000 1.019 1086 N CA 1.716 54.768 53.050 0.004 0.000 0.856 1086 N CB -0.316 38.151 38.487 -0.032 0.000 0.993 1086 N HN 0.654 nan 8.380 nan 0.000 0.426 1087 Y N -0.495 119.713 120.300 -0.153 0.000 2.259 1087 Y HA 0.145 4.698 4.550 0.005 0.000 0.285 1087 Y C 1.722 177.457 175.900 -0.276 0.000 1.130 1087 Y CA 0.758 58.681 58.100 -0.296 0.000 1.144 1087 Y CB -0.546 37.600 38.460 -0.523 0.000 1.093 1087 Y HN -0.165 nan 8.280 nan 0.000 0.507 1088 F N 0.420 120.417 119.950 0.079 0.000 2.171 1088 F HA -0.006 4.522 4.527 0.002 0.000 0.300 1088 F C 2.576 178.331 175.800 -0.076 0.000 1.090 1088 F CA 1.423 59.414 58.000 -0.015 0.000 1.293 1088 F CB -1.234 37.816 39.000 0.084 0.000 1.013 1088 F HN 0.190 nan 8.300 nan 0.000 0.486 1089 G N -0.755 108.117 108.800 0.120 0.000 2.498 1089 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.219 1089 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.219 1089 G C 1.695 176.583 174.900 -0.021 0.000 1.119 1089 G CA 0.939 46.070 45.100 0.052 0.000 0.766 1089 G HN 0.477 nan 8.290 nan 0.000 0.552 1090 A N -0.655 122.106 122.820 -0.097 0.000 1.938 1090 A HA 0.222 4.541 4.320 -0.001 0.000 0.207 1090 A C 2.330 179.798 177.584 -0.193 0.000 1.292 1090 A CA 1.778 53.730 52.037 -0.142 0.000 0.700 1090 A CB -0.757 18.133 19.000 -0.183 0.000 0.947 1090 A HN 0.228 nan 8.150 nan 0.000 0.476 1091 T N -0.001 114.363 114.554 -0.316 0.000 2.708 1091 T HA -0.171 4.179 4.350 -0.001 0.000 0.266 1091 T C 1.724 176.345 174.700 -0.131 0.000 1.037 1091 T CA 2.051 63.974 62.100 -0.296 0.000 1.146 1091 T CB -0.340 68.206 68.868 -0.536 0.000 0.865 1091 T HN 0.574 nan 8.240 nan 0.000 0.435 1092 E N 0.036 120.194 120.200 -0.071 0.000 2.153 1092 E HA -0.086 4.263 4.350 -0.001 0.000 0.194 1092 E C 2.174 178.654 176.600 -0.200 0.000 0.988 1092 E CA 0.918 57.280 56.400 -0.063 0.000 0.811 1092 E CB -0.123 29.575 29.700 -0.004 0.000 0.746 1092 E HN 0.342 nan 8.360 nan 0.000 0.466 1093 L N 0.496 121.561 121.223 -0.263 0.000 2.044 1093 L HA -0.141 4.198 4.340 -0.001 0.000 0.205 1093 L C 2.507 179.067 176.870 -0.517 0.000 1.075 1093 L CA 1.546 56.031 54.840 -0.591 0.000 0.747 1093 L CB -0.581 41.273 42.059 -0.343 0.000 0.903 1093 L HN 0.264 nan 8.230 nan 0.000 0.435 1094 M N -2.207 117.328 119.600 -0.109 0.000 2.159 1094 M HA -0.131 4.348 4.480 -0.001 0.000 0.263 1094 M C 1.405 177.885 176.300 0.300 0.000 1.063 1094 M CA 1.810 57.226 55.300 0.194 0.000 1.110 1094 M CB -0.640 32.029 32.600 0.116 0.000 1.374 1094 M HN 0.044 nan 8.290 nan 0.000 0.411 1095 D N 1.455 121.919 120.400 0.108 0.000 2.144 1095 D HA 0.009 4.649 4.640 -0.001 0.000 0.200 1095 D C 2.274 178.572 176.300 -0.004 0.000 0.978 1095 D CA 1.847 55.910 54.000 0.104 0.000 0.833 1095 D CB -0.150 40.682 40.800 0.053 0.000 0.961 1095 D HN 0.570 nan 8.370 nan 0.000 0.470 1096 A N -0.107 122.632 122.820 -0.134 0.000 2.067 1096 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 1096 A C 1.456 179.057 177.584 0.029 0.000 1.156 1096 A CA 0.604 52.559 52.037 -0.136 0.000 0.683 1096 A CB -0.460 18.378 19.000 -0.271 0.000 0.808 1096 A HN 0.097 nan 8.150 nan 0.000 0.455 1097 F N -0.714 119.255 119.950 0.032 0.000 2.754 1097 F HA 0.206 4.723 4.527 -0.017 0.000 0.297 1097 F C 1.753 177.505 175.800 -0.080 0.000 1.122 1097 F CA -0.898 57.105 58.000 0.006 0.000 1.400 1097 F CB -0.695 38.339 39.000 0.057 0.000 1.117 1097 F HN 0.146 nan 8.300 nan 0.000 0.587 1098 L N 1.142 122.352 121.223 -0.022 0.000 1.990 1098 L HA -0.195 4.145 4.340 -0.001 0.000 0.213 1098 L C -0.419 176.298 176.870 -0.255 0.000 1.072 1098 L CA 2.233 56.829 54.840 -0.407 0.000 0.755 1098 L CB -1.439 40.217 42.059 -0.672 0.000 0.889 1098 L HN 0.032 nan 8.230 nan 0.000 0.432 1099 P HA -0.184 nan 4.420 nan 0.000 0.216 1099 P C 1.355 178.614 177.300 -0.069 0.000 1.150 1099 P CA 1.973 65.015 63.100 -0.097 0.000 0.843 1099 P CB -0.060 31.611 31.700 -0.047 0.000 0.787 1100 A N -1.006 121.797 122.820 -0.028 0.000 1.897 1100 A HA -0.133 4.187 4.320 -0.001 0.000 0.215 1100 A C 2.050 179.603 177.584 -0.051 0.000 1.181 1100 A CA 1.199 53.218 52.037 -0.030 0.000 0.620 1100 A CB -1.537 17.451 19.000 -0.020 0.000 0.821 1100 A HN 0.052 nan 8.150 nan 0.000 0.443 1101 L N 0.219 121.405 121.223 -0.062 0.000 2.042 1101 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 1101 L C 2.228 179.045 176.870 -0.087 0.000 1.076 1101 L CA 1.961 56.762 54.840 -0.065 0.000 0.749 1101 L CB -1.081 40.930 42.059 -0.080 0.000 0.893 1101 L HN 0.408 nan 8.230 nan 0.000 0.432 1102 K N -0.434 119.887 120.400 -0.132 0.000 2.211 1102 K HA -0.199 4.120 4.320 -0.001 0.000 0.204 1102 K C 1.754 178.310 176.600 -0.072 0.000 1.047 1102 K CA 1.244 57.459 56.287 -0.120 0.000 0.935 1102 K CB -0.097 32.318 32.500 -0.141 0.000 0.728 1102 K HN 0.318 nan 8.250 nan 0.000 0.452 1103 K N 0.413 120.780 120.400 -0.055 0.000 2.444 1103 K HA 0.037 4.357 4.320 -0.001 0.000 0.193 1103 K C 0.993 177.586 176.600 -0.012 0.000 1.024 1103 K CA 0.019 56.287 56.287 -0.032 0.000 1.077 1103 K CB 0.519 33.003 32.500 -0.028 0.000 0.833 1103 K HN 0.122 nan 8.250 nan 0.000 0.517 1104 G N 0.204 108.996 108.800 -0.012 0.000 2.580 1104 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.278 1104 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.278 1104 G C -1.082 173.851 174.900 0.055 0.000 1.212 1104 G CA -0.410 44.704 45.100 0.023 0.000 0.939 1104 G HN 0.233 nan 8.290 nan 0.000 0.513 1105 H N 0.107 119.171 119.070 -0.010 0.000 2.594 1105 H HA 0.182 4.736 4.556 -0.003 0.000 0.304 1105 H C 0.185 175.514 175.328 0.001 0.000 1.068 1105 H CA -0.015 56.032 56.048 -0.002 0.000 1.308 1105 H CB 0.355 30.122 29.762 0.009 0.000 1.409 1105 H HN 0.662 nan 8.280 nan 0.000 0.460 1106 Q N 2.647 122.231 119.800 -0.360 0.000 2.435 1106 Q HA -0.154 4.186 4.340 -0.001 0.000 0.312 1106 Q C -2.136 173.822 176.000 -0.071 0.000 1.333 1106 Q CA 0.181 55.841 55.803 -0.239 0.000 0.883 1106 Q CB -0.842 27.726 28.738 -0.283 0.000 1.170 1106 Q HN 0.625 nan 8.270 nan 0.000 0.443 1107 P HA 0.225 nan 4.420 nan 0.000 0.265 1107 P C -0.691 176.616 177.300 0.013 0.000 1.193 1107 P CA 0.554 63.651 63.100 -0.004 0.000 0.765 1107 P CB 1.287 32.980 31.700 -0.011 0.000 0.823 1108 A N 1.904 124.746 122.820 0.037 0.000 2.606 1108 A HA 0.793 5.113 4.320 -0.001 0.000 0.293 1108 A C -1.519 176.115 177.584 0.084 0.000 1.082 1108 A CA -0.407 51.663 52.037 0.055 0.000 0.685 1108 A CB 1.672 20.666 19.000 -0.010 0.000 1.284 1108 A HN 0.644 nan 8.150 nan 0.000 0.408 1109 A N 0.038 122.912 122.820 0.091 0.000 2.515 1109 A HA 0.792 5.112 4.320 -0.001 0.000 0.298 1109 A C -1.452 176.115 177.584 -0.029 0.000 1.059 1109 A CA -0.526 51.547 52.037 0.059 0.000 0.698 1109 A CB 1.654 20.732 19.000 0.130 0.000 1.289 1109 A HN 1.631 nan 8.150 nan 0.000 0.404 1110 V N 1.548 121.440 119.914 -0.036 0.000 2.577 1110 V HA 0.526 4.645 4.120 -0.001 0.000 0.303 1110 V C -0.674 175.383 176.094 -0.061 0.000 1.042 1110 V CA -0.530 61.737 62.300 -0.055 0.000 0.872 1110 V CB 1.756 33.560 31.823 -0.030 0.000 0.998 1110 V HN 0.738 nan 8.190 nan 0.000 0.423 1111 V N 5.733 125.592 119.914 -0.092 0.000 2.459 1111 V HA 0.497 4.616 4.120 -0.001 0.000 0.295 1111 V C -0.055 175.997 176.094 -0.070 0.000 1.029 1111 V CA -0.536 61.708 62.300 -0.093 0.000 0.874 1111 V CB 2.004 33.737 31.823 -0.150 0.000 0.985 1111 V HN 0.678 nan 8.190 nan 0.000 0.438 1112 I N 3.872 124.413 120.570 -0.048 0.000 2.322 1112 I HA 0.234 4.403 4.170 -0.001 0.000 0.292 1112 I C 0.922 177.008 176.117 -0.051 0.000 1.060 1112 I CA 0.609 61.889 61.300 -0.033 0.000 1.309 1112 I CB 1.233 39.230 38.000 -0.005 0.000 1.415 1112 I HN 0.766 nan 8.210 nan 0.000 0.492 1113 S N 4.307 119.971 115.700 -0.060 0.000 3.757 1113 S HA 0.512 4.981 4.470 -0.001 0.000 0.190 1113 S C 0.092 174.650 174.600 -0.070 0.000 0.948 1113 S CA -0.090 58.057 58.200 -0.089 0.000 1.592 1113 S CB 1.022 64.165 63.200 -0.094 0.000 0.656 1113 S HN 0.658 nan 8.310 nan 0.000 0.640 1114 S N -1.193 114.464 115.700 -0.072 0.000 2.680 1114 S HA 0.202 4.671 4.470 -0.001 0.000 0.284 1114 S C 0.378 174.937 174.600 -0.068 0.000 1.055 1114 S CA -0.067 58.115 58.200 -0.030 0.000 0.849 1114 S CB 0.620 63.827 63.200 0.011 0.000 1.068 1114 S HN 1.210 nan 8.310 nan 0.000 0.453 1115 V N 2.154 122.037 119.914 -0.051 0.000 2.867 1115 V HA 0.126 4.246 4.120 -0.001 0.000 0.260 1115 V C 2.375 178.273 176.094 -0.326 0.000 1.099 1115 V CA 2.203 64.447 62.300 -0.094 0.000 1.122 1115 V CB -1.643 30.172 31.823 -0.013 0.000 0.708 1115 V HN 1.188 nan 8.190 nan 0.000 0.490 1116 A N 1.766 124.373 122.820 -0.356 0.000 2.070 1116 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 1116 A C 2.529 179.890 177.584 -0.373 0.000 1.159 1116 A CA 2.031 53.701 52.037 -0.611 0.000 0.656 1116 A CB -0.912 18.056 19.000 -0.053 0.000 0.800 1116 A HN 0.980 nan 8.150 nan 0.000 0.453 1117 S N -0.216 115.353 115.700 -0.218 0.000 2.419 1117 S HA 0.063 4.532 4.470 -0.001 0.000 0.233 1117 S C 1.716 176.283 174.600 -0.056 0.000 1.016 1117 S CA 1.095 59.226 58.200 -0.114 0.000 0.974 1117 S CB -0.422 62.723 63.200 -0.092 0.000 0.786 1117 S HN 0.901 nan 8.310 nan 0.000 0.492 1118 A N 0.565 123.344 122.820 -0.069 0.000 2.275 1118 A HA 0.227 4.546 4.320 -0.001 0.000 0.212 1118 A C 1.446 179.141 177.584 0.185 0.000 1.201 1118 A CA 0.092 52.159 52.037 0.050 0.000 0.843 1118 A CB -0.566 18.476 19.000 0.071 0.000 0.873 1118 A HN 0.553 nan 8.150 nan 0.000 0.492 1119 H N -0.627 118.467 119.070 0.041 0.000 2.555 1119 H HA 0.348 4.908 4.556 0.007 0.000 0.269 1119 H C 0.106 175.452 175.328 0.031 0.000 0.988 1119 H CA 0.321 56.394 56.048 0.041 0.000 1.178 1119 H CB -0.164 29.631 29.762 0.055 0.000 1.373 1119 H HN 0.333 nan 8.280 nan 0.000 0.588 1120 L N -0.632 120.677 121.223 0.142 0.000 2.393 1120 L HA 0.639 4.978 4.340 -0.001 0.000 0.260 1120 L C -0.360 176.552 176.870 0.070 0.000 1.002 1120 L CA -1.326 53.563 54.840 0.082 0.000 0.818 1120 L CB 2.234 44.327 42.059 0.057 0.000 1.369 1120 L HN -0.058 nan 8.230 nan 0.000 0.412 1121 A N 0.751 123.601 122.820 0.051 0.000 2.301 1121 A HA 0.332 4.652 4.320 -0.001 0.000 0.312 1121 A C 0.338 177.971 177.584 0.082 0.000 1.182 1121 A CA -0.309 51.767 52.037 0.066 0.000 0.826 1121 A CB 0.325 19.349 19.000 0.040 0.000 1.134 1121 A HN 0.776 nan 8.150 nan 0.000 0.501 1122 F N 2.129 122.064 119.950 -0.026 0.000 2.091 1122 F HA -0.272 4.253 4.527 -0.003 0.000 0.299 1122 F C 2.025 177.805 175.800 -0.033 0.000 1.103 1122 F CA 2.587 60.566 58.000 -0.035 0.000 1.228 1122 F CB 0.211 39.189 39.000 -0.036 0.000 0.984 1122 F HN 0.725 nan 8.300 nan 0.000 0.477 1123 D N -0.684 119.726 120.400 0.018 0.000 2.378 1123 D HA -0.117 4.522 4.640 -0.001 0.000 0.227 1123 D C 0.975 177.213 176.300 -0.104 0.000 1.012 1123 D CA 0.757 54.714 54.000 -0.071 0.000 0.905 1123 D CB -0.517 40.295 40.800 0.020 0.000 0.895 1123 D HN 0.298 nan 8.370 nan 0.000 0.532 1124 K N -0.279 120.062 120.400 -0.099 0.000 2.469 1124 K HA 0.083 4.402 4.320 -0.001 0.000 0.204 1124 K C 0.095 176.631 176.600 -0.106 0.000 1.047 1124 K CA -0.478 55.761 56.287 -0.080 0.000 1.072 1124 K CB 0.405 32.884 32.500 -0.036 0.000 0.863 1124 K HN -0.013 nan 8.250 nan 0.000 0.530 1125 N N 2.704 121.292 118.700 -0.186 0.000 2.406 1125 N HA 0.111 4.850 4.740 -0.001 0.000 0.251 1125 N C -2.077 173.307 175.510 -0.209 0.000 1.069 1125 N CA -1.803 51.129 53.050 -0.196 0.000 0.947 1125 N CB 1.578 39.898 38.487 -0.278 0.000 1.111 1125 N HN -0.159 nan 8.380 nan 0.000 0.497 1126 P HA -0.054 nan 4.420 nan 0.000 0.221 1126 P C 0.912 178.133 177.300 -0.132 0.000 1.145 1126 P CA 1.047 64.079 63.100 -0.113 0.000 0.795 1126 P CB 0.396 32.055 31.700 -0.067 0.000 0.775 1127 L N -2.525 118.600 121.223 -0.163 0.000 2.513 1127 L HA 0.199 4.538 4.340 -0.001 0.000 0.222 1127 L C 2.322 179.033 176.870 -0.264 0.000 1.096 1127 L CA 0.347 55.077 54.840 -0.182 0.000 0.857 1127 L CB -0.821 41.133 42.059 -0.176 0.000 1.026 1127 L HN -0.114 nan 8.230 nan 0.000 0.469 1128 A N 1.187 123.793 122.820 -0.357 0.000 1.863 1128 A HA -0.280 4.039 4.320 -0.001 0.000 0.218 1128 A C 2.080 179.465 177.584 -0.332 0.000 1.233 1128 A CA 2.120 53.832 52.037 -0.541 0.000 0.655 1128 A CB -0.874 17.459 19.000 -1.110 0.000 0.839 1128 A HN 0.258 nan 8.150 nan 0.000 0.454 1129 L N -0.578 120.485 121.223 -0.267 0.000 2.042 1129 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 1129 L C 3.034 179.860 176.870 -0.074 0.000 1.076 1129 L CA 2.067 56.831 54.840 -0.127 0.000 0.749 1129 L CB -1.186 40.810 42.059 -0.104 0.000 0.893 1129 L HN 0.462 nan 8.230 nan 0.000 0.432 1130 A N -0.751 122.012 122.820 -0.093 0.000 1.877 1130 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 1130 A C 2.319 179.893 177.584 -0.016 0.000 1.186 1130 A CA 1.611 53.624 52.037 -0.040 0.000 0.620 1130 A CB -0.762 18.213 19.000 -0.042 0.000 0.822 1130 A HN 0.371 nan 8.150 nan 0.000 0.443 1131 L N -1.071 120.047 121.223 -0.174 0.000 2.056 1131 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 1131 L C 2.621 179.423 176.870 -0.113 0.000 1.078 1131 L CA 1.648 56.254 54.840 -0.391 0.000 0.749 1131 L CB -0.540 40.814 42.059 -1.176 0.000 0.901 1131 L HN 0.496 nan 8.230 nan 0.000 0.433 1132 E N 0.095 120.281 120.200 -0.023 0.000 2.153 1132 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 1132 E C 2.025 178.716 176.600 0.151 0.000 0.988 1132 E CA 0.967 57.452 56.400 0.141 0.000 0.811 1132 E CB 0.052 29.857 29.700 0.175 0.000 0.746 1132 E HN 0.473 nan 8.360 nan 0.000 0.466 1133 A N -0.327 122.562 122.820 0.115 0.000 2.218 1133 A HA 0.225 4.544 4.320 -0.001 0.000 0.209 1133 A C 1.581 179.258 177.584 0.154 0.000 1.168 1133 A CA 0.836 52.939 52.037 0.110 0.000 0.804 1133 A CB -0.119 18.920 19.000 0.065 0.000 0.834 1133 A HN 0.348 nan 8.150 nan 0.000 0.482 1134 G N -0.282 108.681 108.800 0.271 0.000 2.147 1134 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.244 1134 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.244 1134 G C -0.162 174.838 174.900 0.167 0.000 1.005 1134 G CA 0.314 45.629 45.100 0.358 0.000 0.713 1134 G HN 0.628 nan 8.290 nan 0.000 0.515 1135 E N 0.125 120.437 120.200 0.186 0.000 2.028 1135 E HA 0.264 4.613 4.350 -0.001 0.000 0.275 1135 E C 1.282 177.948 176.600 0.109 0.000 1.171 1135 E CA -0.034 56.415 56.400 0.082 0.000 1.186 1135 E CB 0.446 30.180 29.700 0.055 0.000 1.256 1135 E HN 0.649 nan 8.360 nan 0.000 0.474 1136 E N 2.334 122.511 120.200 -0.039 0.000 2.058 1136 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 1136 E C 1.905 178.527 176.600 0.036 0.000 0.997 1136 E CA 1.376 57.751 56.400 -0.041 0.000 0.801 1136 E CB 0.078 29.477 29.700 -0.501 0.000 0.746 1136 E HN 0.496 nan 8.360 nan 0.000 0.450 1137 A N 1.465 124.275 122.820 -0.016 0.000 1.908 1137 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 1137 A C 2.137 179.740 177.584 0.032 0.000 1.181 1137 A CA 1.950 53.992 52.037 0.009 0.000 0.627 1137 A CB -0.581 18.414 19.000 -0.008 0.000 0.818 1137 A HN 0.252 nan 8.150 nan 0.000 0.445 1138 K N -0.418 119.998 120.400 0.026 0.000 2.057 1138 K HA -0.063 4.257 4.320 -0.001 0.000 0.207 1138 K C 2.159 178.779 176.600 0.035 0.000 1.049 1138 K CA 1.199 57.497 56.287 0.019 0.000 0.931 1138 K CB -0.338 32.165 32.500 0.006 0.000 0.714 1138 K HN 0.357 nan 8.250 nan 0.000 0.440 1139 A N 1.564 124.423 122.820 0.066 0.000 1.902 1139 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 1139 A C 2.094 179.723 177.584 0.075 0.000 1.181 1139 A CA 1.456 53.532 52.037 0.066 0.000 0.623 1139 A CB -0.458 18.616 19.000 0.124 0.000 0.818 1139 A HN 0.342 nan 8.150 nan 0.000 0.443 1140 R N -0.543 120.016 120.500 0.098 0.000 2.081 1140 R HA -0.050 4.289 4.340 -0.001 0.000 0.235 1140 R C 2.472 178.833 176.300 0.101 0.000 1.131 1140 R CA 1.148 57.304 56.100 0.093 0.000 0.960 1140 R CB -0.473 29.879 30.300 0.087 0.000 0.856 1140 R HN 0.510 nan 8.270 nan 0.000 0.436 1141 A N 1.339 124.225 122.820 0.110 0.000 1.902 1141 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 1141 A C 2.150 179.872 177.584 0.231 0.000 1.181 1141 A CA 1.212 53.363 52.037 0.191 0.000 0.623 1141 A CB -0.491 18.562 19.000 0.088 0.000 0.818 1141 A HN 0.180 nan 8.150 nan 0.000 0.443 1142 I N 0.269 120.898 120.570 0.097 0.000 2.163 1142 I HA -0.262 3.907 4.170 -0.001 0.000 0.243 1142 I C 2.516 178.689 176.117 0.093 0.000 1.085 1142 I CA 1.821 63.162 61.300 0.069 0.000 1.347 1142 I CB -0.321 37.688 38.000 0.014 0.000 1.044 1142 I HN 0.361 nan 8.210 nan 0.000 0.408 1143 V N -2.083 117.877 119.914 0.076 0.000 2.667 1143 V HA -0.155 3.964 4.120 -0.001 0.000 0.252 1143 V C 1.911 178.039 176.094 0.056 0.000 1.065 1143 V CA 1.453 63.789 62.300 0.060 0.000 1.083 1143 V CB -0.784 31.070 31.823 0.051 0.000 0.692 1143 V HN 0.380 nan 8.190 nan 0.000 0.468 1144 E N -0.358 119.884 120.200 0.069 0.000 2.427 1144 E HA -0.037 4.313 4.350 -0.001 0.000 0.196 1144 E C 1.274 177.786 176.600 -0.146 0.000 1.028 1144 E CA 0.727 57.112 56.400 -0.025 0.000 0.864 1144 E CB -0.032 29.645 29.700 -0.039 0.000 0.813 1144 E HN 0.838 nan 8.360 nan 0.000 0.514 1145 H N -1.907 117.167 119.070 0.007 0.000 2.592 1145 H HA 0.317 4.871 4.556 -0.002 0.000 0.279 1145 H C 1.167 176.497 175.328 0.002 0.000 1.089 1145 H CA 0.349 56.399 56.048 0.004 0.000 1.150 1145 H CB 0.913 30.675 29.762 0.001 0.000 1.575 1145 H HN 0.096 nan 8.280 nan 0.000 0.547 1146 A N 0.338 123.209 122.820 0.086 0.000 2.119 1146 A HA 0.327 4.647 4.320 -0.001 0.000 0.216 1146 A C 1.967 179.571 177.584 0.033 0.000 1.152 1146 A CA 0.953 53.023 52.037 0.054 0.000 0.708 1146 A CB -0.565 18.460 19.000 0.041 0.000 0.805 1146 A HN 0.548 nan 8.150 nan 0.000 0.460 1147 G N 0.254 109.066 108.800 0.019 0.000 2.561 1147 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.289 1147 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.289 1147 G C -0.177 174.728 174.900 0.008 0.000 1.169 1147 G CA 0.320 45.425 45.100 0.007 0.000 0.980 1147 G HN 0.846 nan 8.290 nan 0.000 0.550 1148 E N 2.432 122.637 120.200 0.008 0.000 2.558 1148 E HA 0.327 4.676 4.350 -0.001 0.000 0.255 1148 E C 1.116 177.723 176.600 0.013 0.000 0.968 1148 E CA 0.891 57.295 56.400 0.008 0.000 0.939 1148 E CB -0.163 29.541 29.700 0.007 0.000 0.921 1148 E HN 1.404 nan 8.360 nan 0.000 0.477 1149 Q N 0.465 120.273 119.800 0.013 0.000 2.435 1149 Q HA -0.284 4.056 4.340 -0.001 0.000 0.312 1149 Q C 0.497 176.514 176.000 0.029 0.000 1.333 1149 Q CA 0.966 56.781 55.803 0.020 0.000 0.883 1149 Q CB -2.118 26.633 28.738 0.022 0.000 1.170 1149 Q HN 0.785 nan 8.270 nan 0.000 0.443 1150 G N 0.031 108.847 108.800 0.026 0.000 2.484 1150 G HA2 0.028 3.988 3.960 -0.001 0.000 0.218 1150 G HA3 0.028 3.988 3.960 -0.001 0.000 0.218 1150 G C 1.122 176.050 174.900 0.047 0.000 1.130 1150 G CA 0.555 45.675 45.100 0.033 0.000 0.784 1150 G HN 0.631 nan 8.290 nan 0.000 0.543 1151 G N 1.174 110.001 108.800 0.045 0.000 2.418 1151 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.217 1151 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.217 1151 G C 1.712 176.669 174.900 0.095 0.000 1.158 1151 G CA 0.876 46.012 45.100 0.060 0.000 0.771 1151 G HN 0.384 nan 8.290 nan 0.000 0.545 1152 N N 0.238 118.987 118.700 0.082 0.000 2.244 1152 N HA -0.057 4.682 4.740 -0.001 0.000 0.183 1152 N C 2.041 177.630 175.510 0.132 0.000 1.016 1152 N CA 0.755 53.876 53.050 0.119 0.000 0.866 1152 N CB -0.296 38.244 38.487 0.090 0.000 0.980 1152 N HN 0.295 nan 8.380 nan 0.000 0.430 1153 L N 1.250 122.524 121.223 0.086 0.000 2.027 1153 L HA 0.040 4.379 4.340 -0.001 0.000 0.206 1153 L C 2.126 179.031 176.870 0.059 0.000 1.074 1153 L CA 1.497 56.373 54.840 0.061 0.000 0.745 1153 L CB -0.994 41.088 42.059 0.037 0.000 0.898 1153 L HN 0.093 nan 8.230 nan 0.000 0.433 1154 A N -1.324 121.540 122.820 0.075 0.000 1.883 1154 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 1154 A C 2.301 179.935 177.584 0.082 0.000 1.186 1154 A CA 2.040 54.119 52.037 0.070 0.000 0.624 1154 A CB -1.235 17.817 19.000 0.087 0.000 0.822 1154 A HN 0.619 nan 8.150 nan 0.000 0.444 1155 Y N 0.192 120.502 120.300 0.017 0.000 2.092 1155 Y HA -0.015 4.529 4.550 -0.009 0.000 0.282 1155 Y C 2.815 178.719 175.900 0.007 0.000 1.126 1155 Y CA 1.505 59.614 58.100 0.015 0.000 1.111 1155 Y CB -0.702 37.770 38.460 0.020 0.000 0.987 1155 Y HN 0.296 nan 8.280 nan 0.000 0.489 1156 A N -0.039 122.853 122.820 0.120 0.000 1.908 1156 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 1156 A C 2.445 180.000 177.584 -0.048 0.000 1.181 1156 A CA 1.903 53.955 52.037 0.025 0.000 0.627 1156 A CB -1.739 17.338 19.000 0.129 0.000 0.818 1156 A HN 0.622 nan 8.150 nan 0.000 0.445 1157 G N -0.190 108.594 108.800 -0.027 0.000 2.418 1157 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.217 1157 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.217 1157 G C 1.976 176.819 174.900 -0.094 0.000 1.158 1157 G CA 1.781 46.847 45.100 -0.056 0.000 0.771 1157 G HN 0.830 nan 8.290 nan 0.000 0.545 1158 S N 0.607 116.239 115.700 -0.112 0.000 2.371 1158 S HA 0.003 4.472 4.470 -0.001 0.000 0.224 1158 S C 2.165 176.716 174.600 -0.082 0.000 1.029 1158 S CA 1.158 59.294 58.200 -0.105 0.000 0.978 1158 S CB -0.119 63.029 63.200 -0.086 0.000 0.833 1158 S HN 0.157 nan 8.310 nan 0.000 0.466 1159 K N 1.911 122.188 120.400 -0.206 0.000 2.097 1159 K HA 0.025 4.344 4.320 -0.001 0.000 0.205 1159 K C 2.078 178.620 176.600 -0.095 0.000 1.050 1159 K CA 1.458 57.618 56.287 -0.211 0.000 0.938 1159 K CB -0.958 31.313 32.500 -0.381 0.000 0.718 1159 K HN 0.545 nan 8.250 nan 0.000 0.442 1160 N N 1.181 119.846 118.700 -0.058 0.000 2.084 1160 N HA -0.141 4.599 4.740 -0.001 0.000 0.190 1160 N C 1.610 177.183 175.510 0.104 0.000 1.030 1160 N CA 1.709 54.771 53.050 0.020 0.000 0.849 1160 N CB -0.155 38.363 38.487 0.052 0.000 1.012 1160 N HN 0.137 nan 8.380 nan 0.000 0.423 1161 A N 0.625 123.524 122.820 0.130 0.000 1.972 1161 A HA -0.063 4.256 4.320 -0.001 0.000 0.219 1161 A C 2.321 180.073 177.584 0.280 0.000 1.169 1161 A CA 0.890 53.078 52.037 0.250 0.000 0.635 1161 A CB -0.810 18.168 19.000 -0.037 0.000 0.810 1161 A HN 0.455 nan 8.150 nan 0.000 0.446 1162 L N -0.751 120.592 121.223 0.200 0.000 1.994 1162 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 1162 L C 2.716 179.546 176.870 -0.066 0.000 1.071 1162 L CA 2.173 57.040 54.840 0.045 0.000 0.745 1162 L CB -0.657 41.372 42.059 -0.049 0.000 0.892 1162 L HN 0.386 nan 8.230 nan 0.000 0.431 1163 T N -0.639 113.872 114.554 -0.073 0.000 2.720 1163 T HA -0.187 4.162 4.350 -0.001 0.000 0.268 1163 T C 1.895 176.503 174.700 -0.153 0.000 1.037 1163 T CA 1.539 63.571 62.100 -0.114 0.000 1.144 1163 T CB -0.243 68.571 68.868 -0.091 0.000 0.864 1163 T HN 0.144 nan 8.240 nan 0.000 0.444 1164 V N 1.588 121.398 119.914 -0.172 0.000 2.343 1164 V HA -0.168 3.952 4.120 -0.001 0.000 0.247 1164 V C 2.862 178.792 176.094 -0.273 0.000 1.051 1164 V CA 1.674 63.775 62.300 -0.332 0.000 1.036 1164 V CB -1.207 30.178 31.823 -0.730 0.000 0.654 1164 V HN 0.531 nan 8.190 nan 0.000 0.451 1165 A N -0.202 122.524 122.820 -0.155 0.000 1.908 1165 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 1165 A C 2.398 179.870 177.584 -0.187 0.000 1.181 1165 A CA 2.169 54.136 52.037 -0.117 0.000 0.627 1165 A CB -0.718 18.244 19.000 -0.064 0.000 0.818 1165 A HN 0.338 nan 8.150 nan 0.000 0.445 1166 V N -0.151 119.627 119.914 -0.226 0.000 2.343 1166 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 1166 V C 2.642 178.561 176.094 -0.290 0.000 1.051 1166 V CA 2.298 64.418 62.300 -0.299 0.000 1.036 1166 V CB -0.797 30.853 31.823 -0.288 0.000 0.654 1166 V HN 0.530 nan 8.190 nan 0.000 0.451 1167 R N -0.037 120.318 120.500 -0.243 0.000 2.092 1167 R HA -0.087 4.252 4.340 -0.001 0.000 0.231 1167 R C 2.280 178.464 176.300 -0.193 0.000 1.119 1167 R CA 1.056 57.019 56.100 -0.229 0.000 0.970 1167 R CB -0.249 29.930 30.300 -0.201 0.000 0.864 1167 R HN 0.463 nan 8.270 nan 0.000 0.440 1168 K N 0.193 120.487 120.400 -0.177 0.000 2.439 1168 K HA -0.066 4.253 4.320 -0.001 0.000 0.197 1168 K C 1.499 178.058 176.600 -0.068 0.000 1.041 1168 K CA 0.777 56.992 56.287 -0.121 0.000 0.970 1168 K CB 0.137 32.566 32.500 -0.119 0.000 0.773 1168 K HN 0.116 nan 8.250 nan 0.000 0.479 1169 R N -0.302 120.138 120.500 -0.101 0.000 2.334 1169 R HA 0.168 4.507 4.340 -0.001 0.000 0.216 1169 R C 1.828 178.148 176.300 0.033 0.000 0.905 1169 R CA 0.121 56.213 56.100 -0.013 0.000 1.064 1169 R CB 0.320 30.536 30.300 -0.140 0.000 1.046 1169 R HN 0.081 nan 8.270 nan 0.000 0.508 1170 A N 1.390 124.162 122.820 -0.081 0.000 1.902 1170 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 1170 A C 2.318 180.017 177.584 0.190 0.000 1.181 1170 A CA 1.852 53.841 52.037 -0.080 0.000 0.623 1170 A CB -0.510 18.312 19.000 -0.296 0.000 0.818 1170 A HN 0.364 nan 8.150 nan 0.000 0.443 1171 A N -0.136 122.747 122.820 0.105 0.000 1.858 1171 A HA 0.139 4.458 4.320 -0.001 0.000 0.216 1171 A C 2.552 180.226 177.584 0.151 0.000 1.190 1171 A CA 2.333 54.438 52.037 0.113 0.000 0.617 1171 A CB -1.153 17.883 19.000 0.059 0.000 0.827 1171 A HN 1.088 nan 8.150 nan 0.000 0.443 1172 A N -1.602 121.324 122.820 0.177 0.000 1.877 1172 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 1172 A C 1.943 179.637 177.584 0.183 0.000 1.186 1172 A CA 1.533 53.667 52.037 0.162 0.000 0.620 1172 A CB -0.904 18.202 19.000 0.177 0.000 0.822 1172 A HN 0.714 nan 8.150 nan 0.000 0.443 1173 W N -0.059 121.275 121.300 0.057 0.000 2.402 1173 W HA 0.077 4.746 4.660 0.014 0.000 0.286 1173 W C 2.502 179.005 176.519 -0.026 0.000 1.221 1173 W CA 0.970 58.342 57.345 0.045 0.000 1.257 1173 W CB -0.824 28.709 29.460 0.121 0.000 1.120 1173 W HN 0.361 nan 8.180 nan 0.000 0.551 1174 G N 0.090 109.044 108.800 0.256 0.000 2.402 1174 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.216 1174 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.216 1174 G C 1.306 176.204 174.900 -0.003 0.000 1.162 1174 G CA 1.016 46.132 45.100 0.026 0.000 0.777 1174 G HN 0.312 nan 8.290 nan 0.000 0.539 1175 E N 0.539 120.759 120.200 0.032 0.000 2.106 1175 E HA -0.001 4.349 4.350 -0.001 0.000 0.192 1175 E C 2.729 179.306 176.600 -0.038 0.000 0.984 1175 E CA 0.703 57.102 56.400 -0.002 0.000 0.806 1175 E CB -0.133 29.572 29.700 0.008 0.000 0.750 1175 E HN 0.418 nan 8.360 nan 0.000 0.458 1176 A N 0.476 123.258 122.820 -0.064 0.000 2.206 1176 A HA 0.164 4.483 4.320 -0.001 0.000 0.211 1176 A C 1.724 179.242 177.584 -0.110 0.000 1.158 1176 A CA 0.857 52.823 52.037 -0.118 0.000 0.761 1176 A CB -0.432 18.432 19.000 -0.227 0.000 0.801 1176 A HN 0.335 nan 8.150 nan 0.000 0.473 1177 G N -1.569 107.177 108.800 -0.091 0.000 2.160 1177 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.244 1177 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.244 1177 G C -0.060 174.780 174.900 -0.100 0.000 1.022 1177 G CA 0.231 45.274 45.100 -0.096 0.000 0.741 1177 G HN 0.965 nan 8.290 nan 0.000 0.508 1178 V N 0.481 120.346 119.914 -0.082 0.000 2.487 1178 V HA 0.531 4.650 4.120 -0.001 0.000 0.298 1178 V C 0.748 176.876 176.094 0.055 0.000 1.028 1178 V CA -1.113 61.194 62.300 0.012 0.000 0.860 1178 V CB 1.637 33.479 31.823 0.032 0.000 0.991 1178 V HN 0.395 nan 8.190 nan 0.000 0.427 1179 R N 3.216 123.718 120.500 0.004 0.000 2.441 1179 R HA 0.625 4.964 4.340 -0.001 0.000 0.284 1179 R C -1.024 175.406 176.300 0.216 0.000 1.070 1179 R CA -0.610 55.486 56.100 -0.007 0.000 1.047 1179 R CB 1.059 31.343 30.300 -0.027 0.000 1.016 1179 R HN 0.469 nan 8.270 nan 0.000 0.477 1180 L N 3.032 124.460 121.223 0.342 0.000 2.491 1180 L HA 0.417 4.757 4.340 -0.001 0.000 0.267 1180 L C -1.468 175.334 176.870 -0.113 0.000 0.971 1180 L CA -0.228 54.587 54.840 -0.041 0.000 0.857 1180 L CB 1.462 43.255 42.059 -0.443 0.000 1.226 1180 L HN 0.610 nan 8.230 nan 0.000 0.408 1181 N N 1.783 120.411 118.700 -0.120 0.000 2.509 1181 N HA 0.712 5.452 4.740 -0.001 0.000 0.280 1181 N C -1.075 174.363 175.510 -0.121 0.000 1.306 1181 N CA -0.368 52.610 53.050 -0.119 0.000 0.782 1181 N CB 2.375 40.826 38.487 -0.060 0.000 1.493 1181 N HN 0.630 nan 8.380 nan 0.000 0.498 1182 T N -2.365 112.129 114.554 -0.099 0.000 2.916 1182 T HA 0.786 5.135 4.350 -0.001 0.000 0.292 1182 T C -0.082 174.594 174.700 -0.040 0.000 1.064 1182 T CA -0.798 61.252 62.100 -0.083 0.000 1.011 1182 T CB 1.201 70.010 68.868 -0.099 0.000 1.152 1182 T HN 0.477 nan 8.240 nan 0.000 0.510 1183 I N -1.419 119.136 120.570 -0.026 0.000 2.740 1183 I HA 0.886 5.055 4.170 -0.001 0.000 0.303 1183 I C -0.583 175.527 176.117 -0.012 0.000 1.044 1183 I CA -1.746 59.553 61.300 -0.002 0.000 1.064 1183 I CB 2.079 40.089 38.000 0.017 0.000 1.249 1183 I HN 0.870 nan 8.210 nan 0.000 0.433 1184 A N 5.064 127.882 122.820 -0.004 0.000 2.709 1184 A HA 0.727 5.046 4.320 -0.001 0.000 0.332 1184 A C -2.714 174.875 177.584 0.007 0.000 1.241 1184 A CA -1.615 50.417 52.037 -0.008 0.000 0.782 1184 A CB -0.076 18.913 19.000 -0.018 0.000 1.109 1184 A HN 0.550 nan 8.150 nan 0.000 0.472 1185 P HA 0.111 nan 4.420 nan 0.000 0.268 1185 P C 1.446 178.764 177.300 0.031 0.000 1.208 1185 P CA 0.552 63.667 63.100 0.026 0.000 0.777 1185 P CB 0.934 32.656 31.700 0.036 0.000 0.875 1186 G N 2.325 111.139 108.800 0.024 0.000 2.469 1186 G HA2 0.006 3.966 3.960 -0.001 0.000 0.219 1186 G HA3 0.006 3.966 3.960 -0.001 0.000 0.219 1186 G C 0.485 175.412 174.900 0.045 0.000 1.150 1186 G CA 1.058 46.175 45.100 0.027 0.000 0.763 1186 G HN 0.956 nan 8.290 nan 0.000 0.561 1210 V N 4.218 124.001 119.914 -0.218 0.000 2.408 1210 V HA 0.419 4.538 4.120 -0.001 0.000 0.267 1210 V C -1.996 173.773 176.094 -0.542 0.000 1.047 1210 V CA -1.309 60.834 62.300 -0.262 0.000 0.937 1210 V CB 0.342 32.142 31.823 -0.037 0.000 0.999 1210 V HN 0.482 nan 8.190 nan 0.000 0.472 1211 P HA 0.223 nan 4.420 nan 0.000 0.272 1211 P C -2.312 174.870 177.300 -0.197 0.000 1.240 1211 P CA -1.594 61.322 63.100 -0.308 0.000 0.791 1211 P CB 0.556 32.147 31.700 -0.182 0.000 0.978 1212 P HA -0.103 nan 4.420 nan 0.000 0.216 1212 P C 1.597 178.862 177.300 -0.060 0.000 1.150 1212 P CA 1.810 64.861 63.100 -0.080 0.000 0.843 1212 P CB -0.243 31.424 31.700 -0.056 0.000 0.787 1213 M N -2.361 117.203 119.600 -0.061 0.000 2.686 1213 M HA 0.167 4.646 4.480 -0.001 0.000 0.246 1213 M C 1.208 177.482 176.300 -0.042 0.000 1.096 1213 M CA 0.966 56.239 55.300 -0.045 0.000 1.076 1213 M CB -1.790 30.785 32.600 -0.041 0.000 1.504 1213 M HN 0.101 nan 8.290 nan 0.000 0.524 1214 G N 2.809 111.576 108.800 -0.055 0.000 2.246 1214 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.273 1214 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.273 1214 G C 0.111 174.989 174.900 -0.036 0.000 1.055 1214 G CA 0.689 45.763 45.100 -0.044 0.000 0.851 1214 G HN 0.650 nan 8.290 nan 0.000 0.500 1215 R N -2.624 117.850 120.500 -0.043 0.000 2.765 1215 R HA 0.572 4.912 4.340 -0.001 0.000 0.277 1215 R C -0.478 175.802 176.300 -0.033 0.000 1.028 1215 R CA -1.249 54.833 56.100 -0.030 0.000 0.860 1215 R CB 0.778 31.066 30.300 -0.021 0.000 1.270 1215 R HN 0.127 nan 8.270 nan 0.000 0.484 1216 R N 0.366 120.853 120.500 -0.022 0.000 2.560 1216 R HA 0.527 4.866 4.340 -0.001 0.000 0.270 1216 R C -0.150 176.141 176.300 -0.015 0.000 1.074 1216 R CA -0.017 56.071 56.100 -0.019 0.000 1.140 1216 R CB 1.382 31.675 30.300 -0.011 0.000 1.073 1216 R HN 0.684 nan 8.270 nan 0.000 0.527 1217 A N 1.837 124.650 122.820 -0.012 0.000 2.316 1217 A HA 0.211 4.530 4.320 -0.001 0.000 0.284 1217 A C -0.189 177.394 177.584 -0.001 0.000 1.115 1217 A CA -0.532 51.501 52.037 -0.007 0.000 0.812 1217 A CB 0.623 19.621 19.000 -0.005 0.000 1.064 1217 A HN 0.559 nan 8.150 nan 0.000 0.489 1218 E N 1.538 121.738 120.200 0.001 0.000 2.266 1218 E HA 0.210 4.560 4.350 -0.001 0.000 0.277 1218 E C -1.759 174.846 176.600 0.009 0.000 1.018 1218 E CA -1.699 54.704 56.400 0.004 0.000 0.840 1218 E CB 1.006 30.709 29.700 0.004 0.000 1.082 1218 E HN 0.321 nan 8.360 nan 0.000 0.395 1219 P HA -0.193 nan 4.420 nan 0.000 0.217 1219 P C 1.397 178.707 177.300 0.018 0.000 1.148 1219 P CA 1.575 64.684 63.100 0.016 0.000 0.828 1219 P CB 0.207 31.917 31.700 0.017 0.000 0.783 1220 S N -0.417 115.293 115.700 0.016 0.000 2.419 1220 S HA -0.197 4.273 4.470 -0.001 0.000 0.235 1220 S C 1.714 176.326 174.600 0.020 0.000 1.019 1220 S CA 1.163 59.374 58.200 0.019 0.000 0.982 1220 S CB -1.100 62.110 63.200 0.016 0.000 0.789 1220 S HN 0.297 nan 8.310 nan 0.000 0.490 1221 E N 0.112 120.321 120.200 0.014 0.000 2.427 1221 E HA 0.088 4.437 4.350 -0.001 0.000 0.196 1221 E C 1.584 178.194 176.600 0.017 0.000 1.028 1221 E CA 0.508 56.915 56.400 0.012 0.000 0.864 1221 E CB -0.089 29.612 29.700 0.003 0.000 0.813 1221 E HN 0.493 nan 8.360 nan 0.000 0.514 1222 M N -0.197 119.416 119.600 0.022 0.000 2.429 1222 M HA 0.108 4.587 4.480 -0.001 0.000 0.265 1222 M C 2.367 178.690 176.300 0.038 0.000 1.120 1222 M CA 0.697 56.014 55.300 0.028 0.000 1.173 1222 M CB -0.762 31.853 32.600 0.025 0.000 1.343 1222 M HN 0.074 nan 8.290 nan 0.000 0.464 1223 A N 0.890 123.732 122.820 0.036 0.000 1.933 1223 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 1223 A C 2.383 180.002 177.584 0.058 0.000 1.175 1223 A CA 2.262 54.325 52.037 0.043 0.000 0.628 1223 A CB -0.892 18.130 19.000 0.037 0.000 0.814 1223 A HN 0.594 nan 8.150 nan 0.000 0.444 1224 S N -0.374 115.359 115.700 0.055 0.000 2.402 1224 S HA -0.096 4.373 4.470 -0.001 0.000 0.229 1224 S C 1.660 176.326 174.600 0.110 0.000 1.021 1224 S CA 1.358 59.599 58.200 0.070 0.000 0.974 1224 S CB -0.737 62.489 63.200 0.044 0.000 0.800 1224 S HN 0.252 nan 8.310 nan 0.000 0.484 1225 V N 1.892 121.867 119.914 0.102 0.000 2.488 1225 V HA 0.003 4.122 4.120 -0.001 0.000 0.246 1225 V C 2.377 178.598 176.094 0.213 0.000 1.046 1225 V CA 1.303 63.702 62.300 0.165 0.000 1.053 1225 V CB -0.710 31.175 31.823 0.104 0.000 0.679 1225 V HN 0.461 nan 8.190 nan 0.000 0.458 1226 I N 0.709 121.350 120.570 0.118 0.000 2.226 1226 I HA -0.221 3.949 4.170 -0.001 0.000 0.245 1226 I C 2.701 178.858 176.117 0.067 0.000 1.100 1226 I CA 1.430 62.775 61.300 0.075 0.000 1.374 1226 I CB -0.560 37.466 38.000 0.043 0.000 1.057 1226 I HN 0.285 nan 8.210 nan 0.000 0.413 1227 A N 0.995 123.871 122.820 0.093 0.000 1.908 1227 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 1227 A C 2.273 179.920 177.584 0.105 0.000 1.181 1227 A CA 1.765 53.857 52.037 0.092 0.000 0.627 1227 A CB -1.085 17.979 19.000 0.107 0.000 0.818 1227 A HN 0.529 nan 8.150 nan 0.000 0.445 1228 F N 0.526 120.494 119.950 0.030 0.000 2.102 1228 F HA -0.148 4.373 4.527 -0.009 0.000 0.298 1228 F C 1.778 177.597 175.800 0.031 0.000 1.105 1228 F CA 1.882 59.900 58.000 0.030 0.000 1.239 1228 F CB -0.275 38.739 39.000 0.023 0.000 0.991 1228 F HN 0.126 nan 8.300 nan 0.000 0.474 1229 L N 0.031 121.012 121.223 -0.404 0.000 2.265 1229 L HA -0.186 4.153 4.340 -0.001 0.000 0.215 1229 L C 2.012 178.717 176.870 -0.274 0.000 1.117 1229 L CA 0.628 55.190 54.840 -0.463 0.000 0.782 1229 L CB -0.468 41.508 42.059 -0.138 0.000 0.914 1229 L HN 0.302 nan 8.230 nan 0.000 0.441 1230 M N -0.986 118.520 119.600 -0.157 0.000 2.561 1230 M HA 0.090 4.569 4.480 -0.001 0.000 0.238 1230 M C 1.041 177.299 176.300 -0.070 0.000 1.131 1230 M CA 0.285 55.530 55.300 -0.092 0.000 1.046 1230 M CB -0.641 31.922 32.600 -0.062 0.000 1.532 1230 M HN 0.233 nan 8.290 nan 0.000 0.497 1231 S N -0.475 115.160 115.700 -0.109 0.000 2.718 1231 S HA 0.496 4.965 4.470 -0.001 0.000 0.300 1231 S C -2.157 172.395 174.600 -0.081 0.000 1.117 1231 S CA -1.171 57.002 58.200 -0.045 0.000 1.002 1231 S CB 1.742 64.948 63.200 0.009 0.000 1.092 1231 S HN -0.113 nan 8.310 nan 0.000 0.542 1232 P HA 0.072 nan 4.420 nan 0.000 0.222 1232 P C 1.328 178.626 177.300 -0.004 0.000 1.147 1232 P CA 1.339 64.433 63.100 -0.009 0.000 0.790 1232 P CB -0.217 31.497 31.700 0.023 0.000 0.780 1233 A N 0.131 122.958 122.820 0.011 0.000 2.019 1233 A HA -0.022 4.298 4.320 -0.001 0.000 0.219 1233 A C 1.946 179.560 177.584 0.049 0.000 1.164 1233 A CA 1.719 53.818 52.037 0.103 0.000 0.644 1233 A CB -1.164 18.000 19.000 0.273 0.000 0.805 1233 A HN 0.227 nan 8.150 nan 0.000 0.449 1234 A N 0.063 122.735 122.820 -0.246 0.000 2.610 1234 A HA 0.410 4.730 4.320 -0.001 0.000 0.286 1234 A C 1.739 179.263 177.584 -0.100 0.000 1.306 1234 A CA 0.777 52.622 52.037 -0.319 0.000 0.942 1234 A CB -0.720 17.785 19.000 -0.824 0.000 1.112 1234 A HN 0.765 nan 8.150 nan 0.000 0.527 1235 S N -1.121 114.571 115.700 -0.013 0.000 2.420 1235 S HA -0.238 4.231 4.470 -0.001 0.000 0.237 1235 S C 1.263 175.936 174.600 0.122 0.000 1.023 1235 S CA 1.651 59.871 58.200 0.035 0.000 0.991 1235 S CB -0.535 62.695 63.200 0.050 0.000 0.792 1235 S HN 0.629 nan 8.310 nan 0.000 0.488 1236 Y N 1.328 121.627 120.300 -0.002 0.000 2.584 1236 Y HA 0.491 5.042 4.550 0.001 0.000 0.254 1236 Y C -0.129 175.799 175.900 0.046 0.000 1.177 1236 Y CA -0.996 57.117 58.100 0.022 0.000 1.216 1236 Y CB 0.596 39.073 38.460 0.030 0.000 1.172 1236 Y HN 0.054 nan 8.280 nan 0.000 0.529 1237 V N 1.954 121.889 119.914 0.035 0.000 2.364 1237 V HA 0.274 4.394 4.120 -0.001 0.000 0.272 1237 V C -0.916 175.192 176.094 0.023 0.000 1.036 1237 V CA -0.366 61.942 62.300 0.014 0.000 0.880 1237 V CB 0.634 32.476 31.823 0.031 0.000 0.991 1237 V HN 0.258 nan 8.190 nan 0.000 0.460 1238 H N 2.835 121.825 119.070 -0.133 0.000 3.038 1238 H HA 0.564 5.118 4.556 -0.005 0.000 0.362 1238 H C 0.575 175.835 175.328 -0.113 0.000 1.167 1238 H CA -0.014 55.960 56.048 -0.123 0.000 1.197 1238 H CB 1.905 31.584 29.762 -0.138 0.000 1.840 1238 H HN 0.717 nan 8.280 nan 0.000 0.540 1239 G N 1.836 110.285 108.800 -0.585 0.000 2.175 1239 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.265 1239 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.265 1239 G C 0.339 175.090 174.900 -0.248 0.000 0.979 1239 G CA 0.607 45.407 45.100 -0.501 0.000 0.663 1239 G HN 1.014 nan 8.290 nan 0.000 0.533 1240 A N -0.745 121.980 122.820 -0.158 0.000 2.279 1240 A HA 0.820 5.139 4.320 -0.001 0.000 0.303 1240 A C 0.245 177.788 177.584 -0.068 0.000 1.108 1240 A CA 0.379 52.365 52.037 -0.083 0.000 0.830 1240 A CB 0.935 19.918 19.000 -0.029 0.000 1.106 1240 A HN 0.865 nan 8.150 nan 0.000 0.493 1241 Q N 1.426 121.201 119.800 -0.042 0.000 2.357 1241 Q HA 0.480 4.819 4.340 -0.001 0.000 0.266 1241 Q C -1.438 174.561 176.000 -0.000 0.000 1.021 1241 Q CA -0.532 55.251 55.803 -0.033 0.000 0.784 1241 Q CB 0.726 29.440 28.738 -0.039 0.000 1.243 1241 Q HN 0.570 nan 8.270 nan 0.000 0.465 1242 I N 4.955 125.533 120.570 0.013 0.000 2.312 1242 I HA 0.200 4.369 4.170 -0.001 0.000 0.291 1242 I C -0.157 175.971 176.117 0.020 0.000 1.031 1242 I CA -0.565 60.754 61.300 0.032 0.000 1.293 1242 I CB 0.964 39.006 38.000 0.070 0.000 1.403 1242 I HN 0.447 nan 8.210 nan 0.000 0.484 1243 V N 8.250 128.173 119.914 0.016 0.000 2.488 1243 V HA 0.267 4.386 4.120 -0.001 0.000 0.277 1243 V C 0.521 176.620 176.094 0.008 0.000 1.046 1243 V CA -0.188 62.120 62.300 0.012 0.000 0.986 1243 V CB 1.090 32.924 31.823 0.018 0.000 0.989 1243 V HN 0.428 nan 8.190 nan 0.000 0.475 1244 I N 5.399 125.974 120.570 0.008 0.000 2.595 1244 I HA 0.386 4.555 4.170 -0.001 0.000 0.275 1244 I C -0.336 175.782 176.117 0.001 0.000 1.092 1244 I CA -0.162 61.139 61.300 0.003 0.000 1.145 1244 I CB 1.142 39.148 38.000 0.009 0.000 1.276 1244 I HN 0.751 nan 8.210 nan 0.000 0.497 1245 D N 2.957 123.354 120.400 -0.006 0.000 2.602 1245 D HA 0.126 4.765 4.640 -0.001 0.000 0.265 1245 D C 1.069 177.351 176.300 -0.030 0.000 1.454 1245 D CA 0.129 54.123 54.000 -0.010 0.000 0.795 1245 D CB 0.552 41.354 40.800 0.003 0.000 1.140 1245 D HN 0.566 nan 8.370 nan 0.000 0.486 1246 G N 0.171 108.952 108.800 -0.032 0.000 2.166 1246 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.260 1246 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.260 1246 G C 1.244 176.113 174.900 -0.052 0.000 0.986 1246 G CA 0.809 45.882 45.100 -0.045 0.000 0.683 1246 G HN 1.519 nan 8.290 nan 0.000 0.527 1247 G N -1.211 107.566 108.800 -0.039 0.000 2.201 1247 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.212 1247 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.212 1247 G C 1.172 176.054 174.900 -0.030 0.000 0.994 1247 G CA 0.556 45.637 45.100 -0.033 0.000 0.644 1247 G HN 0.809 nan 8.290 nan 0.000 0.508 1248 I N 1.654 122.197 120.570 -0.045 0.000 2.118 1248 I HA -0.136 4.033 4.170 -0.001 0.000 0.241 1248 I C 2.368 178.505 176.117 0.034 0.000 1.070 1248 I CA 2.528 63.806 61.300 -0.035 0.000 1.327 1248 I CB -1.054 36.920 38.000 -0.043 0.000 1.034 1248 I HN 0.330 nan 8.210 nan 0.000 0.405 1249 D N 0.688 121.119 120.400 0.051 0.000 2.133 1249 D HA -0.169 4.470 4.640 -0.001 0.000 0.195 1249 D C 2.171 178.517 176.300 0.077 0.000 0.997 1249 D CA 1.697 55.745 54.000 0.081 0.000 0.840 1249 D CB 0.124 40.971 40.800 0.078 0.000 0.947 1249 D HN 0.315 nan 8.370 nan 0.000 0.452 1250 A N -0.277 122.575 122.820 0.054 0.000 1.902 1250 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 1250 A C 2.499 180.119 177.584 0.060 0.000 1.181 1250 A CA 1.708 53.777 52.037 0.054 0.000 0.623 1250 A CB -0.828 18.186 19.000 0.024 0.000 0.818 1250 A HN 0.223 nan 8.150 nan 0.000 0.443 1251 V N -0.142 119.803 119.914 0.052 0.000 2.427 1251 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 1251 V C 2.590 178.733 176.094 0.081 0.000 1.051 1251 V CA 1.875 64.214 62.300 0.065 0.000 1.048 1251 V CB -0.626 31.239 31.823 0.070 0.000 0.666 1251 V HN 0.500 nan 8.190 nan 0.000 0.456 1252 M N -0.453 119.200 119.600 0.088 0.000 2.287 1252 M HA 0.090 4.569 4.480 -0.001 0.000 0.266 1252 M C 1.110 177.453 176.300 0.072 0.000 1.079 1252 M CA 1.289 56.639 55.300 0.084 0.000 1.146 1252 M CB -0.523 32.131 32.600 0.090 0.000 1.374 1252 M HN 0.210 nan 8.290 nan 0.000 0.435 1253 R N 0.514 121.065 120.500 0.085 0.000 2.748 1253 R HA 0.218 4.557 4.340 -0.001 0.000 0.283 1253 R C -1.836 174.535 176.300 0.118 0.000 1.507 1253 R CA -1.095 55.057 56.100 0.088 0.000 1.666 1253 R CB 0.633 30.990 30.300 0.095 0.000 1.237 1253 R HN 0.060 nan 8.270 nan 0.000 0.633 1254 P HA -0.179 nan 4.420 nan 0.000 0.216 1254 P C 1.088 178.515 177.300 0.212 0.000 1.150 1254 P CA 1.577 64.755 63.100 0.131 0.000 0.837 1254 P CB 0.255 32.008 31.700 0.089 0.000 0.786 1255 T N -5.094 109.551 114.554 0.151 0.000 3.086 1255 T HA 0.140 4.490 4.350 -0.001 0.000 0.250 1255 T C 0.736 175.394 174.700 -0.070 0.000 1.074 1255 T CA -0.191 61.984 62.100 0.126 0.000 0.988 1255 T CB -0.244 68.650 68.868 0.042 0.000 0.988 1255 T HN 0.062 nan 8.240 nan 0.000 0.530 1256 Q N 0.762 120.561 119.800 -0.001 0.000 2.341 1256 Q HA 0.619 4.958 4.340 -0.001 0.000 0.268 1256 Q C -1.427 174.569 176.000 -0.007 0.000 1.013 1256 Q CA -1.069 54.639 55.803 -0.158 0.000 0.798 1256 Q CB 0.944 29.654 28.738 -0.047 0.000 1.253 1256 Q HN 0.554 nan 8.270 nan 0.000 0.457 1257 F N 0.000 119.958 119.950 0.013 0.000 2.286 1257 F HA 0.000 4.525 4.527 -0.004 0.000 0.279 1257 F CA 0.000 58.005 58.000 0.008 0.000 1.383 1257 F CB 0.000 39.005 39.000 0.008 0.000 1.145 1257 F HN 0.000 nan 8.300 nan 0.000 0.574