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 1z7q_1_m DATA FIRST_RESID 1002 DATA SEQUENCE PPKRAALIQN LRDSYTETSS FAVIEEWAAG TLQEIEGIAK AAAEAHGVIR DATA SEQUENCE NSTYGRAQAE KSPEQLLGVL QRYQDLCHNV YCQAETIRTV IAIRIPEHKE DATA SEQUENCE EDNLGVAVQH AVLKIIDELE IKTLGSGEKS GSGGAPTPIG MYALREYLSA DATA SEQUENCE RSTVEDKLLG VDAESGKTKG GGSQSPSLLL ELRQIDADFM LKVELATTHL DATA SEQUENCE STMVRAVINA YLLNWKKLIQ PRTGSDHMVS 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 1002 P HA 0.000 nan 4.420 nan 0.000 0.216 1002 P C 0.000 177.303 177.300 0.005 0.000 1.155 1002 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1002 P CB 0.000 31.703 31.700 0.005 0.000 0.726 1003 P HA 0.054 nan 4.420 nan 0.000 0.230 1003 P C 1.333 178.637 177.300 0.007 0.000 1.168 1003 P CA 0.657 63.760 63.100 0.006 0.000 0.793 1003 P CB 0.971 32.673 31.700 0.005 0.000 0.851 1004 K N 0.560 120.964 120.400 0.007 0.000 2.137 1004 K HA 0.025 4.345 4.320 -0.000 0.000 0.202 1004 K C 2.292 178.897 176.600 0.008 0.000 1.052 1004 K CA 0.442 56.733 56.287 0.008 0.000 0.961 1004 K CB 0.053 32.557 32.500 0.007 0.000 0.741 1004 K HN -0.118 nan 8.250 nan 0.000 0.452 1005 R N 0.056 120.561 120.500 0.008 0.000 2.115 1005 R HA -0.036 4.304 4.340 -0.000 0.000 0.230 1005 R C 2.223 178.528 176.300 0.009 0.000 1.111 1005 R CA 1.136 57.241 56.100 0.008 0.000 0.976 1005 R CB -0.181 30.123 30.300 0.007 0.000 0.870 1005 R HN 0.195 nan 8.270 nan 0.000 0.445 1006 A N 1.078 123.903 122.820 0.008 0.000 1.929 1006 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 1006 A C 2.314 179.905 177.584 0.011 0.000 1.176 1006 A CA 1.347 53.390 52.037 0.009 0.000 0.628 1006 A CB -0.489 18.515 19.000 0.008 0.000 0.816 1006 A HN 0.360 nan 8.150 nan 0.000 0.444 1007 A N 0.208 123.034 122.820 0.011 0.000 1.845 1007 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 1007 A C 2.150 179.744 177.584 0.015 0.000 1.195 1007 A CA 1.531 53.576 52.037 0.013 0.000 0.616 1007 A CB -0.820 18.187 19.000 0.012 0.000 0.832 1007 A HN 0.457 nan 8.150 nan 0.000 0.443 1008 L N -0.476 120.755 121.223 0.014 0.000 1.997 1008 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 1008 L C 2.555 179.436 176.870 0.018 0.000 1.074 1008 L CA 1.800 56.650 54.840 0.016 0.000 0.763 1008 L CB -0.630 41.437 42.059 0.013 0.000 0.890 1008 L HN 0.414 nan 8.230 nan 0.000 0.434 1009 I N -0.879 119.700 120.570 0.015 0.000 2.361 1009 I HA -0.285 3.884 4.170 -0.000 0.000 0.251 1009 I C 2.633 178.762 176.117 0.021 0.000 1.133 1009 I CA 0.910 62.219 61.300 0.015 0.000 1.413 1009 I CB -0.196 37.812 38.000 0.012 0.000 1.073 1009 I HN 0.357 nan 8.210 nan 0.000 0.424 1010 Q N 1.565 121.378 119.800 0.021 0.000 2.016 1010 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 1010 Q C 1.921 177.941 176.000 0.032 0.000 0.978 1010 Q CA 1.803 57.620 55.803 0.024 0.000 0.833 1010 Q CB -0.210 28.540 28.738 0.020 0.000 0.895 1010 Q HN 0.396 nan 8.270 nan 0.000 0.427 1011 N N 0.154 118.874 118.700 0.032 0.000 2.137 1011 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 1011 N C 1.793 177.339 175.510 0.059 0.000 1.017 1011 N CA 1.142 54.215 53.050 0.040 0.000 0.859 1011 N CB -0.383 38.125 38.487 0.035 0.000 1.002 1011 N HN 0.279 nan 8.380 nan 0.000 0.428 1012 L N 0.997 122.252 121.223 0.054 0.000 1.989 1012 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 1012 L C 2.264 179.193 176.870 0.099 0.000 1.071 1012 L CA 1.391 56.271 54.840 0.067 0.000 0.749 1012 L CB -0.169 41.908 42.059 0.029 0.000 0.890 1012 L HN 0.147 nan 8.230 nan 0.000 0.431 1013 R N -0.553 119.990 120.500 0.072 0.000 2.280 1013 R HA -0.091 4.249 4.340 -0.000 0.000 0.207 1013 R C 1.296 177.651 176.300 0.091 0.000 1.043 1013 R CA 0.626 56.775 56.100 0.083 0.000 1.006 1013 R CB -0.109 30.223 30.300 0.054 0.000 0.885 1013 R HN 0.430 nan 8.270 nan 0.000 0.467 1014 D N -0.447 120.000 120.400 0.078 0.000 2.305 1014 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 1014 D C 1.418 177.751 176.300 0.054 0.000 0.974 1014 D CA 0.771 54.805 54.000 0.056 0.000 0.871 1014 D CB 0.328 41.151 40.800 0.038 0.000 0.947 1014 D HN 0.013 nan 8.370 nan 0.000 0.516 1015 S N -0.169 115.592 115.700 0.102 0.000 2.414 1015 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 1015 S C 0.250 174.828 174.600 -0.037 0.000 1.022 1015 S CA 0.573 58.818 58.200 0.074 0.000 0.958 1015 S CB 0.088 63.421 63.200 0.222 0.000 0.797 1015 S HN 0.239 nan 8.310 nan 0.000 0.493 1016 Y N 2.273 122.577 120.300 0.007 0.000 2.787 1016 Y HA 0.322 4.871 4.550 -0.000 0.000 0.352 1016 Y C 0.753 176.663 175.900 0.016 0.000 1.027 1016 Y CA -1.312 56.792 58.100 0.006 0.000 1.219 1016 Y CB -0.029 38.434 38.460 0.005 0.000 1.110 1016 Y HN 0.069 nan 8.280 nan 0.000 0.614 1017 T N -3.255 111.354 114.554 0.092 0.000 2.771 1017 T HA 0.093 4.443 4.350 -0.000 0.000 0.290 1017 T C 1.269 176.024 174.700 0.093 0.000 1.005 1017 T CA -0.499 61.650 62.100 0.081 0.000 0.944 1017 T CB 1.132 70.026 68.868 0.043 0.000 1.147 1017 T HN 0.477 nan 8.240 nan 0.000 0.534 1018 E N 0.019 120.277 120.200 0.097 0.000 2.204 1018 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 1018 E C 1.971 178.629 176.600 0.097 0.000 0.989 1018 E CA 1.221 57.695 56.400 0.124 0.000 0.824 1018 E CB -0.699 29.078 29.700 0.127 0.000 0.756 1018 E HN 0.783 nan 8.360 nan 0.000 0.477 1019 T N 0.365 114.954 114.554 0.058 0.000 2.788 1019 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 1019 T C 2.020 176.735 174.700 0.024 0.000 1.044 1019 T CA 1.383 63.520 62.100 0.062 0.000 1.139 1019 T CB -0.133 68.751 68.868 0.027 0.000 0.867 1019 T HN 0.109 nan 8.240 nan 0.000 0.454 1020 S N 1.872 117.566 115.700 -0.009 0.000 2.356 1020 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 1020 S C 2.533 177.077 174.600 -0.093 0.000 1.032 1020 S CA 1.532 59.693 58.200 -0.066 0.000 1.005 1020 S CB -0.451 62.704 63.200 -0.075 0.000 0.867 1020 S HN 0.764 nan 8.310 nan 0.000 0.449 1021 S N 1.138 116.807 115.700 -0.052 0.000 2.414 1021 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 1021 S C 1.631 176.050 174.600 -0.303 0.000 1.022 1021 S CA 0.461 58.559 58.200 -0.170 0.000 0.958 1021 S CB -0.638 62.525 63.200 -0.061 0.000 0.797 1021 S HN 0.419 nan 8.310 nan 0.000 0.493 1022 F N 3.250 123.026 119.950 -0.290 0.000 2.234 1022 F HA 0.247 4.774 4.527 -0.000 0.000 0.299 1022 F C 2.408 178.019 175.800 -0.315 0.000 1.087 1022 F CA 0.219 58.027 58.000 -0.321 0.000 1.340 1022 F CB -0.997 37.882 39.000 -0.202 0.000 1.031 1022 F HN 0.284 nan 8.300 nan 0.000 0.500 1023 A N -0.048 122.535 122.820 -0.396 0.000 1.902 1023 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 1023 A C 2.325 179.619 177.584 -0.483 0.000 1.181 1023 A CA 1.996 53.762 52.037 -0.452 0.000 0.623 1023 A CB -1.381 17.464 19.000 -0.258 0.000 0.818 1023 A HN 0.235 nan 8.150 nan 0.000 0.443 1024 V N 0.614 120.230 119.914 -0.497 0.000 2.407 1024 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 1024 V C 2.378 177.895 176.094 -0.961 0.000 1.055 1024 V CA 1.677 63.577 62.300 -0.667 0.000 1.049 1024 V CB -0.715 30.672 31.823 -0.726 0.000 0.662 1024 V HN 0.517 nan 8.190 nan 0.000 0.455 1025 I N 0.037 120.104 120.570 -0.838 0.000 2.315 1025 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 1025 I C 2.502 178.373 176.117 -0.410 0.000 1.117 1025 I CA 1.412 62.318 61.300 -0.657 0.000 1.404 1025 I CB -1.147 36.553 38.000 -0.500 0.000 1.071 1025 I HN 0.454 nan 8.210 nan 0.000 0.419 1026 E N 0.509 120.387 120.200 -0.537 0.000 2.077 1026 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 1026 E C 2.021 178.499 176.600 -0.202 0.000 0.989 1026 E CA 1.191 57.354 56.400 -0.395 0.000 0.800 1026 E CB -0.016 29.358 29.700 -0.544 0.000 0.746 1026 E HN 0.332 nan 8.360 nan 0.000 0.452 1027 E N 0.467 120.547 120.200 -0.201 0.000 2.051 1027 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 1027 E C 1.520 178.204 176.600 0.140 0.000 0.991 1027 E CA 1.336 57.713 56.400 -0.039 0.000 0.799 1027 E CB -0.274 29.410 29.700 -0.026 0.000 0.748 1027 E HN 0.285 nan 8.360 nan 0.000 0.449 1028 W N 0.589 121.813 121.300 -0.125 0.000 2.402 1028 W HA 0.133 4.793 4.660 -0.000 0.000 0.286 1028 W C 2.378 178.852 176.519 -0.076 0.000 1.221 1028 W CA 0.941 58.230 57.345 -0.093 0.000 1.257 1028 W CB -1.256 28.148 29.460 -0.093 0.000 1.120 1028 W HN 0.253 nan 8.180 nan 0.000 0.551 1029 A N 0.012 122.911 122.820 0.131 0.000 1.902 1029 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 1029 A C 2.107 179.713 177.584 0.036 0.000 1.181 1029 A CA 2.785 54.859 52.037 0.062 0.000 0.623 1029 A CB -0.831 18.174 19.000 0.008 0.000 0.818 1029 A HN 0.126 nan 8.150 nan 0.000 0.443 1030 A N -1.527 121.305 122.820 0.019 0.000 2.283 1030 A HA 0.485 4.805 4.320 -0.000 0.000 0.225 1030 A C 2.333 179.923 177.584 0.010 0.000 2.109 1030 A CA 1.095 53.136 52.037 0.006 0.000 0.889 1030 A CB -1.356 17.637 19.000 -0.013 0.000 1.437 1030 A HN 0.743 nan 8.150 nan 0.000 0.595 1031 G N -0.293 108.510 108.800 0.006 0.000 2.672 1031 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 1031 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 1031 G C 1.497 176.400 174.900 0.004 0.000 1.238 1031 G CA 2.184 47.286 45.100 0.004 0.000 0.791 1031 G HN 0.458 nan 8.290 nan 0.000 0.606 1032 T N 1.062 115.631 114.554 0.024 0.000 2.803 1032 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 1032 T C 2.367 177.030 174.700 -0.061 0.000 1.052 1032 T CA 0.959 63.044 62.100 -0.026 0.000 1.136 1032 T CB -0.135 68.705 68.868 -0.047 0.000 0.864 1032 T HN 0.131 nan 8.240 nan 0.000 0.467 1033 L N 0.345 121.551 121.223 -0.029 0.000 2.072 1033 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 1033 L C 2.834 179.689 176.870 -0.027 0.000 1.079 1033 L CA 1.249 56.067 54.840 -0.037 0.000 0.752 1033 L CB -0.388 41.665 42.059 -0.010 0.000 0.906 1033 L HN 0.306 nan 8.230 nan 0.000 0.436 1034 Q N -0.572 119.219 119.800 -0.015 0.000 2.170 1034 Q HA -0.263 4.077 4.340 -0.000 0.000 0.203 1034 Q C 1.956 177.948 176.000 -0.013 0.000 0.976 1034 Q CA 1.467 57.263 55.803 -0.011 0.000 0.858 1034 Q CB -0.022 28.711 28.738 -0.007 0.000 0.907 1034 Q HN 0.289 nan 8.270 nan 0.000 0.433 1035 E N 1.293 121.482 120.200 -0.019 0.000 2.077 1035 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1035 E C 1.635 178.226 176.600 -0.014 0.000 0.989 1035 E CA 1.196 57.585 56.400 -0.018 0.000 0.800 1035 E CB -0.190 29.494 29.700 -0.028 0.000 0.746 1035 E HN 0.366 nan 8.360 nan 0.000 0.452 1036 I N 0.546 121.100 120.570 -0.027 0.000 2.226 1036 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 1036 I C 2.526 178.641 176.117 -0.003 0.000 1.100 1036 I CA 1.602 62.893 61.300 -0.015 0.000 1.374 1036 I CB -0.387 37.587 38.000 -0.043 0.000 1.057 1036 I HN 0.265 nan 8.210 nan 0.000 0.413 1037 E N 1.290 121.483 120.200 -0.011 0.000 2.265 1037 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 1037 E C 2.177 178.776 176.600 -0.003 0.000 0.996 1037 E CA 1.209 57.605 56.400 -0.007 0.000 0.832 1037 E CB -0.088 29.607 29.700 -0.009 0.000 0.756 1037 E HN 0.484 nan 8.360 nan 0.000 0.491 1038 G N 1.076 109.875 108.800 -0.001 0.000 2.395 1038 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.214 1038 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.214 1038 G C 1.552 176.456 174.900 0.008 0.000 1.177 1038 G CA 0.534 45.636 45.100 0.003 0.000 0.794 1038 G HN 0.261 nan 8.290 nan 0.000 0.532 1039 I N 1.574 122.154 120.570 0.017 0.000 2.567 1039 I HA -0.131 4.039 4.170 -0.000 0.000 0.257 1039 I C 3.144 179.267 176.117 0.010 0.000 1.184 1039 I CA 0.556 61.873 61.300 0.030 0.000 1.451 1039 I CB -0.084 37.962 38.000 0.077 0.000 1.089 1039 I HN 0.248 nan 8.210 nan 0.000 0.441 1040 A N 2.245 125.066 122.820 0.003 0.000 1.845 1040 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 1040 A C 2.328 179.901 177.584 -0.018 0.000 1.195 1040 A CA 1.994 54.023 52.037 -0.013 0.000 0.616 1040 A CB -0.478 18.515 19.000 -0.011 0.000 0.832 1040 A HN 0.517 nan 8.150 nan 0.000 0.443 1041 K N -0.601 119.794 120.400 -0.009 0.000 2.365 1041 K HA 0.332 4.652 4.320 -0.000 0.000 0.197 1041 K C 1.861 178.461 176.600 0.001 0.000 1.042 1041 K CA 0.937 57.220 56.287 -0.006 0.000 0.987 1041 K CB -0.259 32.240 32.500 -0.003 0.000 0.779 1041 K HN 0.260 nan 8.250 nan 0.000 0.484 1042 A N 1.911 124.732 122.820 0.001 0.000 1.933 1042 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 1042 A C 2.340 179.927 177.584 0.006 0.000 1.175 1042 A CA 1.654 53.695 52.037 0.006 0.000 0.628 1042 A CB -0.504 18.501 19.000 0.009 0.000 0.814 1042 A HN 0.467 nan 8.150 nan 0.000 0.444 1043 A N -1.186 121.632 122.820 -0.004 0.000 2.238 1043 A HA 0.562 4.882 4.320 -0.000 0.000 0.210 1043 A C 2.134 179.729 177.584 0.019 0.000 1.179 1043 A CA 1.107 53.142 52.037 -0.003 0.000 0.827 1043 A CB -0.449 18.525 19.000 -0.043 0.000 0.856 1043 A HN 0.779 nan 8.150 nan 0.000 0.488 1044 A N 1.234 124.058 122.820 0.006 0.000 1.898 1044 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 1044 A C 1.921 179.536 177.584 0.052 0.000 1.183 1044 A CA 1.408 53.449 52.037 0.007 0.000 0.622 1044 A CB -0.437 18.555 19.000 -0.014 0.000 0.824 1044 A HN 0.682 nan 8.150 nan 0.000 0.444 1045 E N -0.217 120.007 120.200 0.041 0.000 2.216 1045 E HA 0.140 4.490 4.350 -0.000 0.000 0.192 1045 E C 1.817 178.451 176.600 0.056 0.000 0.988 1045 E CA 0.751 57.178 56.400 0.046 0.000 0.834 1045 E CB -0.300 29.417 29.700 0.028 0.000 0.772 1045 E HN 0.432 nan 8.360 nan 0.000 0.479 1046 A N 1.712 124.566 122.820 0.057 0.000 2.014 1046 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 1046 A C 2.090 179.717 177.584 0.073 0.000 1.163 1046 A CA 1.359 53.427 52.037 0.051 0.000 0.652 1046 A CB -0.793 18.228 19.000 0.036 0.000 0.808 1046 A HN 0.422 nan 8.150 nan 0.000 0.449 1047 H N -0.396 118.675 119.070 0.002 0.000 2.482 1047 H HA 0.017 4.572 4.556 -0.000 0.000 0.286 1047 H C 2.094 177.430 175.328 0.013 0.000 1.017 1047 H CA 1.369 57.420 56.048 0.005 0.000 1.322 1047 H CB -0.185 29.571 29.762 -0.010 0.000 1.426 1047 H HN 0.398 nan 8.280 nan 0.000 0.546 1048 G N 0.442 109.328 108.800 0.142 0.000 2.421 1048 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 1048 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 1048 G C 1.833 176.749 174.900 0.027 0.000 1.143 1048 G CA 0.760 45.916 45.100 0.093 0.000 0.784 1048 G HN 0.305 nan 8.290 nan 0.000 0.541 1049 V N 1.530 121.458 119.914 0.024 0.000 2.261 1049 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 1049 V C 2.754 178.859 176.094 0.018 0.000 1.047 1049 V CA 1.562 63.874 62.300 0.020 0.000 1.015 1049 V CB -0.452 31.385 31.823 0.024 0.000 0.642 1049 V HN 0.388 nan 8.190 nan 0.000 0.446 1050 I N -0.054 120.516 120.570 0.000 0.000 2.567 1050 I HA -0.242 3.928 4.170 -0.000 0.000 0.257 1050 I C 2.650 178.756 176.117 -0.019 0.000 1.184 1050 I CA 1.510 62.826 61.300 0.028 0.000 1.451 1050 I CB -0.468 37.516 38.000 -0.026 0.000 1.089 1050 I HN 0.271 nan 8.210 nan 0.000 0.441 1051 R N 1.428 121.879 120.500 -0.082 0.000 2.148 1051 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 1051 R C 0.746 177.044 176.300 -0.004 0.000 1.088 1051 R CA 1.026 57.086 56.100 -0.066 0.000 0.985 1051 R CB 0.091 30.356 30.300 -0.057 0.000 0.880 1051 R HN 0.347 nan 8.270 nan 0.000 0.451 1052 N N 0.547 119.256 118.700 0.014 0.000 2.380 1052 N HA 0.116 4.856 4.740 -0.000 0.000 0.255 1052 N C -1.122 174.411 175.510 0.038 0.000 1.158 1052 N CA 0.055 53.120 53.050 0.025 0.000 0.878 1052 N CB 1.451 39.950 38.487 0.020 0.000 1.138 1052 N HN -0.007 nan 8.380 nan 0.000 0.509 1053 S N -0.537 115.205 115.700 0.070 0.000 2.599 1053 S HA 0.530 5.000 4.470 -0.000 0.000 0.294 1053 S C -0.131 174.557 174.600 0.146 0.000 1.094 1053 S CA -0.531 57.725 58.200 0.092 0.000 0.931 1053 S CB 2.392 65.661 63.200 0.116 0.000 1.093 1053 S HN -0.008 nan 8.310 nan 0.000 0.488 1054 T N 2.541 117.159 114.554 0.108 0.000 2.770 1054 T HA 0.450 4.800 4.350 -0.000 0.000 0.283 1054 T C -1.287 173.501 174.700 0.146 0.000 0.988 1054 T CA -0.228 61.950 62.100 0.132 0.000 0.957 1054 T CB 0.175 69.079 68.868 0.060 0.000 0.930 1054 T HN 0.387 nan 8.240 nan 0.000 0.443 1055 Y N 1.757 122.052 120.300 -0.008 0.000 2.316 1055 Y HA 0.597 5.147 4.550 -0.000 0.000 0.331 1055 Y C 0.944 176.840 175.900 -0.007 0.000 1.083 1055 Y CA -0.143 57.952 58.100 -0.008 0.000 1.206 1055 Y CB 1.229 39.685 38.460 -0.008 0.000 1.195 1055 Y HN 0.840 nan 8.280 nan 0.000 0.497 1056 G N 2.046 110.873 108.800 0.046 0.000 3.015 1056 G HA2 0.279 4.238 3.960 -0.000 0.000 0.281 1056 G HA3 0.279 4.238 3.960 -0.000 0.000 0.281 1056 G C 0.292 175.204 174.900 0.020 0.000 1.386 1056 G CA -0.918 44.200 45.100 0.030 0.000 0.959 1056 G HN 0.600 nan 8.290 nan 0.000 0.522 1057 R N -0.699 119.809 120.500 0.012 0.000 2.159 1057 R HA -0.099 4.241 4.340 -0.000 0.000 0.237 1057 R C 2.502 178.796 176.300 -0.010 0.000 1.131 1057 R CA 1.882 57.986 56.100 0.007 0.000 0.982 1057 R CB -0.398 29.904 30.300 0.003 0.000 0.868 1057 R HN 0.503 nan 8.270 nan 0.000 0.453 1058 A N 0.607 123.410 122.820 -0.029 0.000 1.940 1058 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 1058 A C 1.879 179.425 177.584 -0.064 0.000 1.176 1058 A CA 1.422 53.432 52.037 -0.046 0.000 0.631 1058 A CB -0.274 18.691 19.000 -0.058 0.000 0.814 1058 A HN 0.404 nan 8.150 nan 0.000 0.446 1059 Q N -0.763 118.979 119.800 -0.096 0.000 2.472 1059 Q HA 0.321 4.661 4.340 -0.000 0.000 0.208 1059 Q C 1.687 177.672 176.000 -0.026 0.000 0.958 1059 Q CA 0.848 56.575 55.803 -0.128 0.000 0.932 1059 Q CB -0.223 28.297 28.738 -0.364 0.000 1.007 1059 Q HN 0.648 nan 8.270 nan 0.000 0.508 1060 A N 0.220 123.040 122.820 0.000 0.000 2.238 1060 A HA 0.037 4.357 4.320 -0.000 0.000 0.210 1060 A C 0.961 178.539 177.584 -0.009 0.000 1.179 1060 A CA 0.141 52.186 52.037 0.013 0.000 0.827 1060 A CB 0.247 19.260 19.000 0.022 0.000 0.856 1060 A HN 0.218 nan 8.150 nan 0.000 0.488 1061 E N -0.134 120.056 120.200 -0.018 0.000 2.437 1061 E HA 0.189 4.539 4.350 -0.000 0.000 0.195 1061 E C -0.224 176.362 176.600 -0.023 0.000 1.029 1061 E CA -0.028 56.359 56.400 -0.020 0.000 0.948 1061 E CB 0.220 29.908 29.700 -0.020 0.000 1.082 1061 E HN 0.406 nan 8.360 nan 0.000 0.456 1062 K N 0.274 120.660 120.400 -0.024 0.000 2.622 1062 K HA 0.207 4.527 4.320 -0.000 0.000 0.273 1062 K C -1.597 174.993 176.600 -0.016 0.000 0.957 1062 K CA -0.403 55.872 56.287 -0.021 0.000 0.861 1062 K CB 1.807 34.292 32.500 -0.024 0.000 1.405 1062 K HN -0.138 nan 8.250 nan 0.000 0.406 1063 S N 3.941 119.636 115.700 -0.009 0.000 2.438 1063 S HA 0.332 4.802 4.470 -0.000 0.000 0.293 1063 S C -2.454 172.168 174.600 0.036 0.000 1.141 1063 S CA -1.130 57.074 58.200 0.007 0.000 1.080 1063 S CB 1.081 64.277 63.200 -0.007 0.000 0.978 1063 S HN 0.400 nan 8.310 nan 0.000 0.479 1064 P HA 0.015 nan 4.420 nan 0.000 0.254 1064 P C 0.139 177.480 177.300 0.068 0.000 1.186 1064 P CA 0.257 63.393 63.100 0.061 0.000 0.868 1064 P CB 0.318 32.072 31.700 0.091 0.000 0.856 1065 E N 2.140 122.366 120.200 0.042 0.000 2.204 1065 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 1065 E C 1.902 178.526 176.600 0.040 0.000 0.990 1065 E CA 0.889 57.314 56.400 0.042 0.000 0.821 1065 E CB 0.025 29.739 29.700 0.025 0.000 0.750 1065 E HN 0.610 nan 8.360 nan 0.000 0.477 1066 Q N 0.821 120.642 119.800 0.034 0.000 2.167 1066 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 1066 Q C 2.108 178.124 176.000 0.026 0.000 0.970 1066 Q CA 0.871 56.690 55.803 0.026 0.000 0.855 1066 Q CB 0.077 28.828 28.738 0.021 0.000 0.911 1066 Q HN 0.318 nan 8.270 nan 0.000 0.438 1067 L N 0.347 121.591 121.223 0.035 0.000 2.093 1067 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 1067 L C 2.364 179.232 176.870 -0.004 0.000 1.085 1067 L CA 0.740 55.578 54.840 -0.003 0.000 0.755 1067 L CB -0.449 41.604 42.059 -0.010 0.000 0.904 1067 L HN 0.309 nan 8.230 nan 0.000 0.435 1068 L N -0.160 121.097 121.223 0.057 0.000 2.265 1068 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 1068 L C 2.569 179.469 176.870 0.049 0.000 1.117 1068 L CA 0.970 55.855 54.840 0.075 0.000 0.782 1068 L CB -0.975 41.141 42.059 0.095 0.000 0.914 1068 L HN 0.295 nan 8.230 nan 0.000 0.441 1069 G N -0.566 108.255 108.800 0.036 0.000 2.421 1069 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.217 1069 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.217 1069 G C 1.546 176.466 174.900 0.032 0.000 1.143 1069 G CA 0.552 45.672 45.100 0.032 0.000 0.784 1069 G HN 0.158 nan 8.290 nan 0.000 0.541 1070 V N 0.904 120.831 119.914 0.021 0.000 2.273 1070 V HA 0.010 4.130 4.120 -0.000 0.000 0.242 1070 V C 2.805 178.929 176.094 0.049 0.000 1.035 1070 V CA 1.007 63.320 62.300 0.022 0.000 1.013 1070 V CB -0.519 31.297 31.823 -0.010 0.000 0.652 1070 V HN 0.290 nan 8.190 nan 0.000 0.452 1071 L N 0.119 121.354 121.223 0.020 0.000 2.263 1071 L HA -0.259 4.081 4.340 -0.000 0.000 0.216 1071 L C 2.546 179.496 176.870 0.133 0.000 1.111 1071 L CA 1.585 56.466 54.840 0.068 0.000 0.773 1071 L CB -0.469 41.602 42.059 0.020 0.000 0.906 1071 L HN 0.428 nan 8.230 nan 0.000 0.439 1072 Q N 0.511 120.366 119.800 0.092 0.000 2.089 1072 Q HA -0.155 4.185 4.340 -0.000 0.000 0.195 1072 Q C 2.255 178.299 176.000 0.073 0.000 0.963 1072 Q CA 1.291 57.141 55.803 0.078 0.000 0.834 1072 Q CB -0.131 28.642 28.738 0.058 0.000 0.906 1072 Q HN 0.227 nan 8.270 nan 0.000 0.452 1073 R N -1.097 119.447 120.500 0.075 0.000 2.159 1073 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 1073 R C 1.890 178.243 176.300 0.088 0.000 1.131 1073 R CA 1.409 57.547 56.100 0.063 0.000 0.982 1073 R CB -0.296 30.037 30.300 0.055 0.000 0.868 1073 R HN 0.425 nan 8.270 nan 0.000 0.453 1074 Y N 0.815 121.106 120.300 -0.016 0.000 2.176 1074 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 1074 Y C 2.378 178.261 175.900 -0.029 0.000 1.122 1074 Y CA 1.768 59.853 58.100 -0.024 0.000 1.128 1074 Y CB -0.450 37.997 38.460 -0.022 0.000 1.005 1074 Y HN 0.063 nan 8.280 nan 0.000 0.509 1075 Q N 0.207 119.994 119.800 -0.021 0.000 2.197 1075 Q HA -0.248 4.092 4.340 -0.000 0.000 0.207 1075 Q C 1.485 177.401 176.000 -0.140 0.000 0.984 1075 Q CA 2.111 57.824 55.803 -0.150 0.000 0.869 1075 Q CB -0.203 28.508 28.738 -0.045 0.000 0.906 1075 Q HN 0.579 nan 8.270 nan 0.000 0.426 1076 D N 0.424 120.787 120.400 -0.062 0.000 2.097 1076 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 1076 D C 2.000 178.257 176.300 -0.072 0.000 0.984 1076 D CA 0.984 54.970 54.000 -0.024 0.000 0.826 1076 D CB -0.163 40.630 40.800 -0.011 0.000 0.973 1076 D HN 0.315 nan 8.370 nan 0.000 0.460 1077 L N 0.628 121.775 121.223 -0.127 0.000 2.046 1077 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 1077 L C 2.436 179.192 176.870 -0.190 0.000 1.077 1077 L CA 1.391 56.140 54.840 -0.153 0.000 0.747 1077 L CB -0.196 41.774 42.059 -0.150 0.000 0.896 1077 L HN 0.025 nan 8.230 nan 0.000 0.432 1078 C N -0.440 118.679 119.300 -0.301 0.000 2.413 1078 C HA -0.240 4.220 4.460 -0.000 0.000 0.276 1078 C C 2.615 177.570 174.990 -0.059 0.000 1.236 1078 C CA 1.268 60.131 59.018 -0.260 0.000 1.735 1078 C CB -1.475 26.020 27.740 -0.408 0.000 2.031 1078 C HN 0.723 nan 8.230 nan 0.000 0.474 1079 H N 1.330 120.297 119.070 -0.172 0.000 2.265 1079 H HA -0.188 4.368 4.556 -0.000 0.000 0.293 1079 H C 2.069 177.400 175.328 0.004 0.000 1.089 1079 H CA 2.047 58.039 56.048 -0.092 0.000 1.244 1079 H CB -0.166 29.537 29.762 -0.098 0.000 1.355 1079 H HN 0.468 nan 8.280 nan 0.000 0.485 1080 N N 0.539 119.207 118.700 -0.053 0.000 2.018 1080 N HA -0.164 4.576 4.740 -0.000 0.000 0.196 1080 N C 2.223 177.767 175.510 0.056 0.000 1.043 1080 N CA 1.403 54.398 53.050 -0.092 0.000 0.856 1080 N CB -0.797 37.619 38.487 -0.117 0.000 1.042 1080 N HN 0.214 nan 8.380 nan 0.000 0.423 1081 V N 1.261 121.182 119.914 0.011 0.000 2.250 1081 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 1081 V C 2.148 178.326 176.094 0.140 0.000 1.060 1081 V CA 1.830 64.129 62.300 -0.001 0.000 1.030 1081 V CB -0.827 30.864 31.823 -0.220 0.000 0.643 1081 V HN 0.310 nan 8.190 nan 0.000 0.445 1082 Y N -0.182 120.137 120.300 0.032 0.000 2.241 1082 Y HA -0.325 4.225 4.550 -0.000 0.000 0.286 1082 Y C 2.429 178.400 175.900 0.118 0.000 1.166 1082 Y CA 2.059 60.202 58.100 0.072 0.000 1.203 1082 Y CB -0.324 38.166 38.460 0.050 0.000 0.977 1082 Y HN 0.314 nan 8.280 nan 0.000 0.529 1083 C N -0.140 119.330 119.300 0.283 0.000 2.492 1083 C HA -0.093 4.367 4.460 -0.000 0.000 0.279 1083 C C 2.449 177.509 174.990 0.118 0.000 1.335 1083 C CA 0.885 60.025 59.018 0.205 0.000 1.734 1083 C CB -0.870 27.006 27.740 0.226 0.000 2.027 1083 C HN 0.592 nan 8.230 nan 0.000 0.496 1084 Q N 1.043 120.942 119.800 0.166 0.000 2.230 1084 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 1084 Q C 2.369 178.457 176.000 0.146 0.000 0.963 1084 Q CA 1.448 57.354 55.803 0.171 0.000 0.866 1084 Q CB -0.210 28.742 28.738 0.356 0.000 0.931 1084 Q HN 0.738 nan 8.270 nan 0.000 0.452 1085 A N 1.415 124.357 122.820 0.203 0.000 1.854 1085 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 1085 A C 1.913 179.486 177.584 -0.018 0.000 1.192 1085 A CA 0.916 53.036 52.037 0.138 0.000 0.611 1085 A CB -0.245 18.814 19.000 0.099 0.000 0.832 1085 A HN 0.114 nan 8.150 nan 0.000 0.442 1086 E N 0.004 120.137 120.200 -0.111 0.000 2.273 1086 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 1086 E C 1.956 178.549 176.600 -0.011 0.000 1.002 1086 E CA 1.561 57.897 56.400 -0.106 0.000 0.828 1086 E CB -0.633 28.993 29.700 -0.124 0.000 0.747 1086 E HN 0.623 nan 8.360 nan 0.000 0.491 1087 T N 0.982 115.556 114.554 0.032 0.000 2.732 1087 T HA -0.010 4.340 4.350 -0.000 0.000 0.261 1087 T C 2.097 176.837 174.700 0.066 0.000 1.040 1087 T CA 0.642 62.806 62.100 0.106 0.000 1.145 1087 T CB -0.115 68.787 68.868 0.057 0.000 0.866 1087 T HN 0.132 nan 8.240 nan 0.000 0.427 1088 I N 0.742 121.298 120.570 -0.023 0.000 2.264 1088 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 1088 I C 2.858 178.986 176.117 0.018 0.000 1.111 1088 I CA 1.254 62.535 61.300 -0.031 0.000 1.382 1088 I CB -0.327 37.604 38.000 -0.116 0.000 1.060 1088 I HN 0.136 nan 8.210 nan 0.000 0.418 1089 R N 0.130 120.628 120.500 -0.003 0.000 2.075 1089 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 1089 R C 2.276 178.550 176.300 -0.043 0.000 1.126 1089 R CA 1.806 57.898 56.100 -0.014 0.000 0.963 1089 R CB -0.660 29.621 30.300 -0.033 0.000 0.858 1089 R HN 0.351 nan 8.270 nan 0.000 0.435 1090 T N 0.941 115.447 114.554 -0.080 0.000 2.833 1090 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 1090 T C 1.974 176.585 174.700 -0.149 0.000 1.054 1090 T CA 1.014 62.988 62.100 -0.209 0.000 1.135 1090 T CB -0.088 68.495 68.868 -0.476 0.000 0.869 1090 T HN -0.000 nan 8.240 nan 0.000 0.466 1091 V N 1.023 120.937 119.914 0.000 0.000 2.427 1091 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 1091 V C 2.220 178.342 176.094 0.046 0.000 1.051 1091 V CA 1.373 63.721 62.300 0.079 0.000 1.048 1091 V CB -0.491 31.415 31.823 0.138 0.000 0.666 1091 V HN 0.500 nan 8.190 nan 0.000 0.456 1092 I N 0.036 120.621 120.570 0.025 0.000 2.364 1092 I HA -0.029 4.141 4.170 -0.000 0.000 0.241 1092 I C 2.713 178.809 176.117 -0.034 0.000 1.082 1092 I CA 1.029 62.332 61.300 0.005 0.000 1.401 1092 I CB -0.734 37.270 38.000 0.007 0.000 1.126 1092 I HN 0.215 nan 8.210 nan 0.000 0.429 1093 A N 1.935 124.726 122.820 -0.049 0.000 1.971 1093 A HA -0.247 4.073 4.320 -0.000 0.000 0.222 1093 A C 2.205 179.758 177.584 -0.051 0.000 1.182 1093 A CA 2.341 54.344 52.037 -0.058 0.000 0.649 1093 A CB -1.235 17.730 19.000 -0.059 0.000 0.818 1093 A HN 0.671 nan 8.150 nan 0.000 0.458 1094 I N -4.790 115.748 120.570 -0.054 0.000 3.564 1094 I HA 0.100 4.270 4.170 -0.000 0.000 0.294 1094 I C 1.329 177.435 176.117 -0.018 0.000 1.289 1094 I CA 0.636 61.912 61.300 -0.040 0.000 1.325 1094 I CB -0.052 37.917 38.000 -0.051 0.000 1.039 1094 I HN 0.087 nan 8.210 nan 0.000 0.474 1095 R N 1.188 121.676 120.500 -0.019 0.000 2.652 1095 R HA 0.483 4.823 4.340 -0.000 0.000 0.372 1095 R C -0.209 176.075 176.300 -0.026 0.000 1.104 1095 R CA -0.272 55.821 56.100 -0.012 0.000 1.072 1095 R CB 0.604 30.905 30.300 0.001 0.000 1.367 1095 R HN 0.320 nan 8.270 nan 0.000 0.577 1096 I N 4.063 124.613 120.570 -0.033 0.000 2.337 1096 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 1096 I C -1.418 174.699 176.117 -0.000 0.000 1.046 1096 I CA -1.863 59.414 61.300 -0.037 0.000 1.324 1096 I CB 0.865 38.835 38.000 -0.050 0.000 1.409 1096 I HN -0.083 nan 8.210 nan 0.000 0.494 1097 P HA 0.001 nan 4.420 nan 0.000 0.274 1097 P C -0.242 177.083 177.300 0.041 0.000 1.264 1097 P CA -0.433 62.676 63.100 0.015 0.000 0.795 1097 P CB 0.550 32.252 31.700 0.003 0.000 1.064 1098 E N -0.071 120.148 120.200 0.033 0.000 2.529 1098 E HA -0.144 4.205 4.350 -0.000 0.000 0.259 1098 E C -0.130 176.514 176.600 0.073 0.000 0.966 1098 E CA -0.021 56.409 56.400 0.050 0.000 0.937 1098 E CB -0.022 29.693 29.700 0.024 0.000 0.923 1098 E HN 0.377 nan 8.360 nan 0.000 0.468 1099 H N 4.567 123.646 119.070 0.015 0.000 3.082 1099 H HA 0.123 4.678 4.556 -0.000 0.000 0.275 1099 H C -0.710 174.625 175.328 0.012 0.000 1.032 1099 H CA 0.656 56.715 56.048 0.020 0.000 1.477 1099 H CB 0.202 29.975 29.762 0.020 0.000 1.520 1099 H HN 0.350 nan 8.280 nan 0.000 0.521 1100 K N 3.134 123.298 120.400 -0.393 0.000 2.349 1100 K HA 0.237 4.557 4.320 -0.000 0.000 0.243 1100 K C 0.178 176.555 176.600 -0.371 0.000 1.058 1100 K CA -0.957 55.148 56.287 -0.304 0.000 0.871 1100 K CB 1.433 33.850 32.500 -0.139 0.000 1.337 1100 K HN 0.537 nan 8.250 nan 0.000 0.469 1101 E N 1.398 121.474 120.200 -0.207 0.000 2.548 1101 E HA 0.050 4.400 4.350 -0.000 0.000 0.206 1101 E C -0.716 175.831 176.600 -0.089 0.000 1.005 1101 E CA 0.249 56.562 56.400 -0.145 0.000 0.951 1101 E CB 0.746 30.390 29.700 -0.093 0.000 1.035 1101 E HN 0.578 nan 8.360 nan 0.000 0.470 1102 E N -0.564 119.584 120.200 -0.086 0.000 2.433 1102 E HA 0.319 4.668 4.350 -0.000 0.000 0.278 1102 E C -0.692 175.877 176.600 -0.052 0.000 0.976 1102 E CA -0.814 55.552 56.400 -0.057 0.000 0.793 1102 E CB 1.040 30.712 29.700 -0.048 0.000 1.311 1102 E HN -0.254 nan 8.360 nan 0.000 0.460 1103 D N 0.453 120.830 120.400 -0.039 0.000 2.723 1103 D HA -0.144 4.496 4.640 -0.000 0.000 0.236 1103 D C -0.700 175.582 176.300 -0.030 0.000 1.138 1103 D CA 0.566 54.546 54.000 -0.035 0.000 0.676 1103 D CB -1.318 39.459 40.800 -0.038 0.000 1.069 1103 D HN 0.570 nan 8.370 nan 0.000 0.430 1104 N N 0.255 118.941 118.700 -0.024 0.000 2.321 1104 N HA 0.141 4.881 4.740 -0.000 0.000 0.242 1104 N C 1.798 177.309 175.510 0.001 0.000 1.141 1104 N CA -0.279 52.767 53.050 -0.006 0.000 0.864 1104 N CB 0.218 38.705 38.487 -0.000 0.000 1.100 1104 N HN 0.412 nan 8.380 nan 0.000 0.510 1105 L N -0.280 120.936 121.223 -0.012 0.000 2.093 1105 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 1105 L C 2.352 179.212 176.870 -0.015 0.000 1.085 1105 L CA 1.387 56.219 54.840 -0.013 0.000 0.755 1105 L CB -0.375 41.671 42.059 -0.023 0.000 0.904 1105 L HN 0.221 nan 8.230 nan 0.000 0.435 1106 G N -0.694 108.092 108.800 -0.024 0.000 2.396 1106 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.214 1106 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.214 1106 G C 1.579 176.468 174.900 -0.018 0.000 1.166 1106 G CA 0.570 45.649 45.100 -0.035 0.000 0.793 1106 G HN 0.149 nan 8.290 nan 0.000 0.533 1107 V N 1.922 121.838 119.914 0.003 0.000 2.380 1107 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 1107 V C 3.327 179.478 176.094 0.095 0.000 1.063 1107 V CA 2.062 64.383 62.300 0.035 0.000 1.055 1107 V CB -0.998 30.877 31.823 0.085 0.000 0.657 1107 V HN 0.463 nan 8.190 nan 0.000 0.455 1108 A N -0.176 122.697 122.820 0.088 0.000 1.908 1108 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 1108 A C 2.412 180.043 177.584 0.079 0.000 1.181 1108 A CA 2.167 54.265 52.037 0.102 0.000 0.627 1108 A CB -0.720 18.311 19.000 0.052 0.000 0.818 1108 A HN 0.352 nan 8.150 nan 0.000 0.445 1109 V N 0.158 120.089 119.914 0.028 0.000 2.343 1109 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 1109 V C 2.673 178.770 176.094 0.005 0.000 1.051 1109 V CA 2.278 64.582 62.300 0.007 0.000 1.036 1109 V CB -0.986 30.819 31.823 -0.030 0.000 0.654 1109 V HN 0.650 nan 8.190 nan 0.000 0.451 1110 Q N -0.902 118.881 119.800 -0.028 0.000 2.002 1110 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 1110 Q C 2.334 178.289 176.000 -0.075 0.000 0.988 1110 Q CA 1.878 57.633 55.803 -0.081 0.000 0.843 1110 Q CB -0.405 28.232 28.738 -0.169 0.000 0.908 1110 Q HN 0.688 nan 8.270 nan 0.000 0.420 1111 H N 0.128 119.211 119.070 0.022 0.000 2.387 1111 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 1111 H C 2.100 177.446 175.328 0.030 0.000 1.099 1111 H CA 1.443 57.507 56.048 0.026 0.000 1.315 1111 H CB -0.201 29.576 29.762 0.025 0.000 1.380 1111 H HN 0.350 nan 8.280 nan 0.000 0.513 1112 A N 0.596 123.498 122.820 0.137 0.000 1.865 1112 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 1112 A C 2.895 180.527 177.584 0.081 0.000 1.191 1112 A CA 1.893 53.986 52.037 0.093 0.000 0.623 1112 A CB -0.961 18.079 19.000 0.067 0.000 0.826 1112 A HN 0.218 nan 8.150 nan 0.000 0.444 1113 V N 0.179 120.134 119.914 0.069 0.000 2.343 1113 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 1113 V C 2.566 178.711 176.094 0.085 0.000 1.051 1113 V CA 1.879 64.227 62.300 0.081 0.000 1.036 1113 V CB -0.780 31.091 31.823 0.081 0.000 0.654 1113 V HN 0.559 nan 8.190 nan 0.000 0.451 1114 L N -0.165 121.099 121.223 0.068 0.000 2.081 1114 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 1114 L C 2.602 179.519 176.870 0.078 0.000 1.080 1114 L CA 2.061 56.939 54.840 0.064 0.000 0.754 1114 L CB -0.556 41.531 42.059 0.047 0.000 0.893 1114 L HN 0.362 nan 8.230 nan 0.000 0.433 1115 K N 0.636 121.090 120.400 0.089 0.000 2.057 1115 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 1115 K C 2.155 178.802 176.600 0.078 0.000 1.050 1115 K CA 1.270 57.606 56.287 0.083 0.000 0.935 1115 K CB -0.060 32.489 32.500 0.081 0.000 0.715 1115 K HN 0.257 nan 8.250 nan 0.000 0.439 1116 I N 0.814 121.434 120.570 0.082 0.000 2.394 1116 I HA -0.233 3.936 4.170 -0.000 0.000 0.251 1116 I C 1.856 178.028 176.117 0.091 0.000 1.136 1116 I CA 1.093 62.444 61.300 0.085 0.000 1.425 1116 I CB 0.061 38.115 38.000 0.091 0.000 1.079 1116 I HN 0.257 nan 8.210 nan 0.000 0.425 1117 I N 0.849 121.477 120.570 0.096 0.000 2.252 1117 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 1117 I C 1.925 178.087 176.117 0.074 0.000 1.102 1117 I CA 1.310 62.670 61.300 0.100 0.000 1.385 1117 I CB -0.493 37.563 38.000 0.094 0.000 1.064 1117 I HN 0.256 nan 8.210 nan 0.000 0.414 1118 D N 0.418 120.858 120.400 0.066 0.000 2.178 1118 D HA -0.216 4.424 4.640 -0.000 0.000 0.202 1118 D C 1.947 178.291 176.300 0.074 0.000 0.974 1118 D CA 1.013 55.050 54.000 0.062 0.000 0.841 1118 D CB -0.166 40.671 40.800 0.062 0.000 0.953 1118 D HN 0.434 nan 8.370 nan 0.000 0.478 1119 E N 0.177 120.422 120.200 0.075 0.000 2.150 1119 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 1119 E C 2.088 178.737 176.600 0.082 0.000 0.985 1119 E CA 0.278 56.726 56.400 0.080 0.000 0.814 1119 E CB 0.083 29.831 29.700 0.079 0.000 0.752 1119 E HN 0.101 nan 8.360 nan 0.000 0.466 1120 L N 1.232 122.496 121.223 0.069 0.000 2.044 1120 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 1120 L C 1.856 178.761 176.870 0.059 0.000 1.075 1120 L CA 1.812 56.678 54.840 0.044 0.000 0.747 1120 L CB -0.329 41.749 42.059 0.032 0.000 0.903 1120 L HN 0.025 nan 8.230 nan 0.000 0.435 1121 E N -0.282 119.963 120.200 0.075 0.000 2.160 1121 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 1121 E C 2.270 178.982 176.600 0.186 0.000 0.991 1121 E CA 1.523 58.001 56.400 0.131 0.000 0.810 1121 E CB -0.197 29.539 29.700 0.060 0.000 0.742 1121 E HN 0.595 nan 8.360 nan 0.000 0.466 1122 I N 0.886 121.537 120.570 0.135 0.000 2.315 1122 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 1122 I C 2.206 178.392 176.117 0.116 0.000 1.117 1122 I CA 0.811 62.187 61.300 0.126 0.000 1.404 1122 I CB -0.052 38.008 38.000 0.100 0.000 1.071 1122 I HN 0.022 nan 8.210 nan 0.000 0.419 1123 K N 0.450 120.917 120.400 0.112 0.000 2.002 1123 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 1123 K C 2.158 178.817 176.600 0.099 0.000 1.048 1123 K CA 2.194 58.552 56.287 0.119 0.000 0.930 1123 K CB -1.163 31.422 32.500 0.141 0.000 0.714 1123 K HN 0.442 nan 8.250 nan 0.000 0.438 1124 T N 0.780 115.378 114.554 0.072 0.000 2.708 1124 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 1124 T C 2.043 176.757 174.700 0.023 0.000 1.037 1124 T CA 1.195 63.308 62.100 0.023 0.000 1.146 1124 T CB -0.561 68.323 68.868 0.027 0.000 0.865 1124 T HN 0.045 nan 8.240 nan 0.000 0.435 1125 L N 1.917 123.191 121.223 0.085 0.000 2.187 1125 L HA 0.233 4.573 4.340 -0.000 0.000 0.213 1125 L C 1.406 178.335 176.870 0.098 0.000 1.100 1125 L CA 1.556 56.427 54.840 0.052 0.000 0.765 1125 L CB -1.323 40.798 42.059 0.104 0.000 0.904 1125 L HN 0.922 nan 8.230 nan 0.000 0.437 1126 G N -2.138 106.725 108.800 0.104 0.000 2.741 1126 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.222 1126 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.222 1126 G C 0.614 175.580 174.900 0.110 0.000 1.364 1126 G CA 0.344 45.515 45.100 0.118 0.000 0.866 1126 G HN 0.565 nan 8.290 nan 0.000 0.555 1127 S N -0.432 115.326 115.700 0.097 0.000 2.325 1127 S HA 0.420 4.890 4.470 -0.000 0.000 0.213 1127 S C 2.332 176.971 174.600 0.066 0.000 1.031 1127 S CA 1.766 60.007 58.200 0.069 0.000 0.984 1127 S CB -0.695 62.533 63.200 0.047 0.000 0.939 1127 S HN 2.929 nan 8.310 nan 0.000 0.438 1128 G N 1.110 109.957 108.800 0.077 0.000 2.715 1128 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.221 1128 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.221 1128 G C -0.077 174.831 174.900 0.013 0.000 1.204 1128 G CA 0.123 45.239 45.100 0.027 0.000 1.063 1128 G HN 0.437 nan 8.290 nan 0.000 0.586 1129 E N -0.601 119.592 120.200 -0.012 0.000 2.534 1129 E HA 0.204 4.554 4.350 -0.000 0.000 0.179 1129 E C -0.117 176.477 176.600 -0.009 0.000 0.916 1129 E CA 0.201 56.598 56.400 -0.005 0.000 1.354 1129 E CB 1.010 30.702 29.700 -0.012 0.000 1.321 1129 E HN 0.420 nan 8.360 nan 0.000 0.663 1130 K N 1.528 121.920 120.400 -0.013 0.000 2.443 1130 K HA 0.497 4.817 4.320 -0.000 0.000 0.252 1130 K C -1.251 175.348 176.600 -0.002 0.000 0.933 1130 K CA -0.528 55.754 56.287 -0.010 0.000 0.792 1130 K CB 1.742 34.231 32.500 -0.018 0.000 1.185 1130 K HN -0.004 nan 8.250 nan 0.000 0.425 1131 S N 1.948 117.649 115.700 0.003 0.000 2.538 1131 S HA 0.666 5.136 4.470 -0.000 0.000 0.288 1131 S C -0.053 174.553 174.600 0.010 0.000 1.108 1131 S CA -0.765 57.440 58.200 0.008 0.000 0.971 1131 S CB 1.474 64.679 63.200 0.008 0.000 1.041 1131 S HN 0.782 nan 8.310 nan 0.000 0.483 1132 G N 1.696 110.505 108.800 0.015 0.000 2.365 1132 G HA2 0.345 4.305 3.960 -0.000 0.000 0.249 1132 G HA3 0.345 4.305 3.960 -0.000 0.000 0.249 1132 G C 1.106 176.015 174.900 0.014 0.000 1.288 1132 G CA -0.099 45.011 45.100 0.017 0.000 0.887 1132 G HN 1.600 nan 8.290 nan 0.000 0.524 1133 S N 1.545 117.253 115.700 0.013 0.000 2.462 1133 S HA -0.233 4.237 4.470 -0.000 0.000 0.255 1133 S C 2.190 176.796 174.600 0.010 0.000 1.058 1133 S CA 1.716 59.922 58.200 0.010 0.000 1.019 1133 S CB -0.442 62.763 63.200 0.010 0.000 0.801 1133 S HN 1.017 nan 8.310 nan 0.000 0.491 1134 G N 0.419 109.226 108.800 0.012 0.000 2.813 1134 G HA2 0.459 4.419 3.960 -0.000 0.000 0.209 1134 G HA3 0.459 4.419 3.960 -0.000 0.000 0.209 1134 G C 0.950 175.854 174.900 0.007 0.000 1.150 1134 G CA 0.142 45.248 45.100 0.010 0.000 0.785 1134 G HN 1.336 nan 8.290 nan 0.000 0.535 1135 G N -0.472 108.333 108.800 0.008 0.000 2.488 1135 G HA2 0.238 4.198 3.960 -0.000 0.000 0.237 1135 G HA3 0.238 4.198 3.960 -0.000 0.000 0.237 1135 G C 0.486 175.390 174.900 0.007 0.000 1.209 1135 G CA 0.347 45.450 45.100 0.005 0.000 0.929 1135 G HN 1.381 nan 8.290 nan 0.000 0.578 1136 A N 0.531 123.352 122.820 0.001 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.518 177.059 177.584 -0.012 0.000 0.964 1136 A CA 0.830 52.868 52.037 0.002 0.000 1.045 1136 A CB 0.550 19.552 19.000 0.003 0.000 1.174 1136 A HN 0.672 nan 8.150 nan 0.000 0.493 1137 P HA -0.060 nan 4.420 nan 0.000 0.234 1137 P C 0.654 177.923 177.300 -0.052 0.000 1.167 1137 P CA 0.999 64.077 63.100 -0.036 0.000 0.763 1137 P CB -0.256 31.423 31.700 -0.035 0.000 0.835 1138 T N 0.854 115.392 114.554 -0.028 0.000 2.779 1138 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 1138 T C -1.659 173.028 174.700 -0.021 0.000 0.938 1138 T CA -1.709 60.380 62.100 -0.018 0.000 1.119 1138 T CB 0.372 69.257 68.868 0.029 0.000 0.891 1138 T HN -0.119 nan 8.240 nan 0.000 0.526 1139 P HA -0.079 nan 4.420 nan 0.000 0.224 1139 P C 0.106 177.376 177.300 -0.050 0.000 0.880 1139 P CA 0.848 63.916 63.100 -0.055 0.000 1.070 1139 P CB 0.180 31.857 31.700 -0.038 0.000 0.652 1140 I N -2.266 118.292 120.570 -0.020 0.000 2.545 1140 I HA 0.519 4.689 4.170 -0.000 0.000 0.292 1140 I C 0.641 176.839 176.117 0.133 0.000 1.040 1140 I CA -1.013 60.287 61.300 0.001 0.000 1.068 1140 I CB 1.792 39.730 38.000 -0.104 0.000 1.251 1140 I HN 0.120 nan 8.210 nan 0.000 0.424 1141 G N 5.341 114.231 108.800 0.150 0.000 2.527 1141 G HA2 0.069 4.029 3.960 -0.000 0.000 0.279 1141 G HA3 0.069 4.029 3.960 -0.000 0.000 0.279 1141 G C 0.475 175.490 174.900 0.191 0.000 1.374 1141 G CA -0.139 45.073 45.100 0.186 0.000 1.053 1141 G HN 0.800 nan 8.290 nan 0.000 0.539 1142 M N -1.801 117.809 119.600 0.016 0.000 2.453 1142 M HA 0.439 4.919 4.480 -0.000 0.000 0.239 1142 M C -0.183 175.911 176.300 -0.344 0.000 1.151 1142 M CA 0.286 55.464 55.300 -0.203 0.000 0.989 1142 M CB 0.381 32.735 32.600 -0.411 0.000 1.548 1142 M HN 0.334 nan 8.290 nan 0.000 0.479 1143 Y N 0.356 120.711 120.300 0.092 0.000 2.751 1143 Y HA 0.604 5.154 4.550 -0.000 0.000 0.289 1143 Y C 1.871 177.865 175.900 0.157 0.000 1.110 1143 Y CA -0.333 57.822 58.100 0.091 0.000 1.251 1143 Y CB -0.052 38.442 38.460 0.056 0.000 1.178 1143 Y HN 0.425 nan 8.280 nan 0.000 0.540 1144 A N 0.033 123.020 122.820 0.279 0.000 1.883 1144 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 1144 A C 2.075 179.866 177.584 0.345 0.000 1.186 1144 A CA 1.590 53.828 52.037 0.335 0.000 0.624 1144 A CB -0.583 18.585 19.000 0.280 0.000 0.822 1144 A HN 0.476 nan 8.150 nan 0.000 0.444 1145 L N -0.349 121.025 121.223 0.252 0.000 1.990 1145 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 1145 L C 2.569 179.570 176.870 0.218 0.000 1.072 1145 L CA 2.554 57.529 54.840 0.226 0.000 0.755 1145 L CB -0.762 41.392 42.059 0.159 0.000 0.889 1145 L HN 0.509 nan 8.230 nan 0.000 0.432 1146 R N 0.068 120.693 120.500 0.209 0.000 2.080 1146 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 1146 R C 2.159 178.547 176.300 0.147 0.000 1.137 1146 R CA 2.015 58.213 56.100 0.163 0.000 0.943 1146 R CB -0.501 29.909 30.300 0.184 0.000 0.846 1146 R HN 0.528 nan 8.270 nan 0.000 0.431 1147 E N -1.216 119.120 120.200 0.227 0.000 2.106 1147 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 1147 E C 1.693 178.396 176.600 0.172 0.000 0.984 1147 E CA 1.250 57.798 56.400 0.247 0.000 0.806 1147 E CB -0.326 29.601 29.700 0.379 0.000 0.750 1147 E HN 0.377 nan 8.360 nan 0.000 0.458 1148 Y N 1.592 121.844 120.300 -0.080 0.000 2.089 1148 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 1148 Y C 1.905 177.589 175.900 -0.361 0.000 1.139 1148 Y CA 1.396 59.112 58.100 -0.641 0.000 1.123 1148 Y CB -0.432 37.714 38.460 -0.524 0.000 0.980 1148 Y HN -0.074 nan 8.280 nan 0.000 0.493 1149 L N -0.744 120.293 121.223 -0.309 0.000 2.127 1149 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 1149 L C 2.765 179.489 176.870 -0.244 0.000 1.089 1149 L CA 1.683 56.313 54.840 -0.350 0.000 0.757 1149 L CB -0.836 41.140 42.059 -0.139 0.000 0.899 1149 L HN 0.254 nan 8.230 nan 0.000 0.434 1150 S N -0.461 115.157 115.700 -0.136 0.000 2.406 1150 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 1150 S C 2.056 176.599 174.600 -0.096 0.000 1.020 1150 S CA 1.060 59.212 58.200 -0.081 0.000 0.965 1150 S CB 0.055 63.246 63.200 -0.015 0.000 0.798 1150 S HN 0.436 nan 8.310 nan 0.000 0.488 1151 A N 1.477 124.216 122.820 -0.135 0.000 1.874 1151 A HA 0.096 4.416 4.320 -0.000 0.000 0.214 1151 A C 2.201 179.690 177.584 -0.160 0.000 1.189 1151 A CA 1.182 53.157 52.037 -0.105 0.000 0.615 1151 A CB -0.646 18.311 19.000 -0.071 0.000 0.830 1151 A HN 0.546 nan 8.150 nan 0.000 0.443 1152 R N -0.408 119.908 120.500 -0.308 0.000 2.075 1152 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 1152 R C 2.546 178.734 176.300 -0.187 0.000 1.126 1152 R CA 1.553 57.480 56.100 -0.288 0.000 0.963 1152 R CB -0.301 29.692 30.300 -0.512 0.000 0.858 1152 R HN 0.529 nan 8.270 nan 0.000 0.435 1153 S N -0.541 115.046 115.700 -0.187 0.000 2.365 1153 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 1153 S C 1.711 176.264 174.600 -0.079 0.000 1.039 1153 S CA 2.124 60.252 58.200 -0.120 0.000 1.033 1153 S CB -0.360 62.777 63.200 -0.105 0.000 0.887 1153 S HN 0.474 nan 8.310 nan 0.000 0.447 1154 T N 1.270 115.781 114.554 -0.070 0.000 2.833 1154 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 1154 T C 1.724 176.401 174.700 -0.038 0.000 1.054 1154 T CA 1.459 63.532 62.100 -0.044 0.000 1.135 1154 T CB -0.270 68.579 68.868 -0.033 0.000 0.869 1154 T HN 0.318 nan 8.240 nan 0.000 0.466 1155 V N 1.062 120.948 119.914 -0.047 0.000 2.788 1155 V HA 0.012 4.132 4.120 -0.000 0.000 0.251 1155 V C 2.190 178.266 176.094 -0.030 0.000 1.068 1155 V CA 1.046 63.325 62.300 -0.034 0.000 1.090 1155 V CB -0.405 31.397 31.823 -0.036 0.000 0.710 1155 V HN 0.506 nan 8.190 nan 0.000 0.467 1156 E N -0.119 120.056 120.200 -0.042 0.000 2.418 1156 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 1156 E C 1.462 178.047 176.600 -0.026 0.000 1.026 1156 E CA 0.670 57.050 56.400 -0.033 0.000 0.862 1156 E CB 0.024 29.696 29.700 -0.047 0.000 0.799 1156 E HN 0.564 nan 8.360 nan 0.000 0.518 1157 D N 0.402 120.786 120.400 -0.027 0.000 2.271 1157 D HA -0.016 4.624 4.640 -0.000 0.000 0.206 1157 D C 1.442 177.733 176.300 -0.015 0.000 0.967 1157 D CA 0.666 54.653 54.000 -0.021 0.000 0.867 1157 D CB 0.325 41.111 40.800 -0.022 0.000 0.960 1157 D HN 0.108 nan 8.370 nan 0.000 0.509 1158 K N 0.140 120.532 120.400 -0.014 0.000 2.186 1158 K HA 0.111 4.431 4.320 -0.000 0.000 0.202 1158 K C 2.185 178.782 176.600 -0.006 0.000 1.052 1158 K CA 0.291 56.572 56.287 -0.009 0.000 0.965 1158 K CB 0.434 32.929 32.500 -0.009 0.000 0.746 1158 K HN 0.075 nan 8.250 nan 0.000 0.457 1159 L N 0.698 121.918 121.223 -0.004 0.000 2.095 1159 L HA -0.060 4.280 4.340 -0.000 0.000 0.204 1159 L C 2.224 179.094 176.870 0.000 0.000 1.080 1159 L CA 0.867 55.708 54.840 0.002 0.000 0.759 1159 L CB -0.258 41.806 42.059 0.009 0.000 0.914 1159 L HN 0.138 nan 8.230 nan 0.000 0.439 1160 L N -1.195 120.026 121.223 -0.004 0.000 2.049 1160 L HA 0.053 4.393 4.340 -0.000 0.000 0.203 1160 L C 1.714 178.580 176.870 -0.006 0.000 1.074 1160 L CA 1.193 56.030 54.840 -0.005 0.000 0.749 1160 L CB -0.555 41.499 42.059 -0.009 0.000 0.907 1160 L HN 0.490 nan 8.230 nan 0.000 0.439 1161 G N -0.974 107.822 108.800 -0.007 0.000 3.146 1161 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 1161 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 1161 G C -0.001 174.894 174.900 -0.008 0.000 1.853 1161 G CA -0.300 44.796 45.100 -0.007 0.000 1.465 1161 G HN 0.246 nan 8.290 nan 0.000 0.537 1162 V N 1.599 121.509 119.914 -0.008 0.000 2.947 1162 V HA 0.336 4.456 4.120 -0.000 0.000 0.432 1162 V C -0.542 175.548 176.094 -0.007 0.000 0.788 1162 V CA 0.694 62.989 62.300 -0.008 0.000 1.882 1162 V CB 0.424 32.241 31.823 -0.009 0.000 2.351 1162 V HN 1.926 nan 8.190 nan 0.000 0.471 1163 D N 1.535 121.931 120.400 -0.007 0.000 2.831 1163 D HA 1.011 5.651 4.640 -0.000 0.000 0.240 1163 D C 0.048 176.344 176.300 -0.006 0.000 1.183 1163 D CA -0.008 53.988 54.000 -0.006 0.000 1.079 1163 D CB 2.106 42.902 40.800 -0.006 0.000 1.262 1163 D HN 2.246 nan 8.370 nan 0.000 0.634 1164 A N -1.496 121.321 122.820 -0.005 0.000 2.332 1164 A HA 0.466 4.786 4.320 -0.000 0.000 0.293 1164 A C -1.782 175.799 177.584 -0.004 0.000 1.014 1164 A CA -0.672 51.362 52.037 -0.005 0.000 0.566 1164 A CB 0.299 19.296 19.000 -0.004 0.000 1.483 1164 A HN 0.460 nan 8.150 nan 0.000 0.603 1165 E N 0.249 120.447 120.200 -0.004 0.000 2.314 1165 E HA 0.671 5.021 4.350 -0.000 0.000 0.272 1165 E C -1.540 175.058 176.600 -0.003 0.000 0.884 1165 E CA 0.448 56.846 56.400 -0.003 0.000 0.753 1165 E CB 1.955 31.653 29.700 -0.003 0.000 1.213 1165 E HN 1.819 nan 8.360 nan 0.000 0.432 1166 S N 0.298 115.996 115.700 -0.003 0.000 2.742 1166 S HA 0.049 4.519 4.470 -0.000 0.000 0.854 1166 S C 0.430 175.028 174.600 -0.003 0.000 0.769 1166 S CA 0.077 58.275 58.200 -0.003 0.000 1.572 1166 S CB -1.431 61.767 63.200 -0.002 0.000 1.127 1166 S HN 1.183 nan 8.310 nan 0.000 0.384 1167 G N 3.042 111.841 108.800 -0.003 0.000 2.882 1167 G HA2 0.164 4.124 3.960 -0.000 0.000 0.198 1167 G HA3 0.164 4.124 3.960 -0.000 0.000 0.198 1167 G C -0.485 174.413 174.900 -0.003 0.000 1.977 1167 G CA 0.425 45.523 45.100 -0.002 0.000 1.541 1167 G HN 2.119 nan 8.290 nan 0.000 0.567 1168 K N -0.895 119.503 120.400 -0.003 0.000 2.560 1168 K HA 0.550 4.870 4.320 -0.000 0.000 0.276 1168 K C 0.281 176.879 176.600 -0.003 0.000 1.025 1168 K CA 0.278 56.563 56.287 -0.003 0.000 0.974 1168 K CB 0.709 33.207 32.500 -0.003 0.000 1.347 1168 K HN 0.163 nan 8.250 nan 0.000 0.447 1169 T N 1.258 115.810 114.554 -0.004 0.000 2.802 1169 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 1169 T C 0.833 175.530 174.700 -0.004 0.000 1.062 1169 T CA 1.216 63.314 62.100 -0.004 0.000 1.133 1169 T CB -0.170 68.695 68.868 -0.005 0.000 0.852 1169 T HN 0.422 nan 8.240 nan 0.000 0.485 1170 K N -0.004 120.394 120.400 -0.004 0.000 2.633 1170 K HA 0.344 4.664 4.320 -0.000 0.000 0.283 1170 K C 1.604 178.201 176.600 -0.004 0.000 1.081 1170 K CA 0.692 56.977 56.287 -0.004 0.000 0.923 1170 K CB -0.212 32.286 32.500 -0.003 0.000 1.110 1170 K HN 0.365 nan 8.250 nan 0.000 0.480 1171 G N -1.330 107.467 108.800 -0.004 0.000 4.460 1171 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.182 1171 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.182 1171 G C -0.120 174.778 174.900 -0.005 0.000 1.512 1171 G CA -0.018 45.080 45.100 -0.005 0.000 0.856 1171 G HN 0.662 nan 8.290 nan 0.000 0.289 1172 G N 0.359 109.156 108.800 -0.005 0.000 2.788 1172 G HA2 0.629 4.589 3.960 -0.000 0.000 0.327 1172 G HA3 0.629 4.589 3.960 -0.000 0.000 0.327 1172 G C 0.331 175.228 174.900 -0.005 0.000 1.249 1172 G CA 0.136 45.232 45.100 -0.005 0.000 1.063 1172 G HN 1.645 nan 8.290 nan 0.000 0.497 1173 G N -0.282 108.516 108.800 -0.004 0.000 4.154 1173 G HA2 0.402 4.362 3.960 -0.000 0.000 0.228 1173 G HA3 0.402 4.362 3.960 -0.000 0.000 0.228 1173 G C -0.197 174.702 174.900 -0.002 0.000 2.157 1173 G CA 0.407 45.505 45.100 -0.003 0.000 1.088 1173 G HN 1.387 nan 8.290 nan 0.000 0.506 1174 S N -0.829 114.871 115.700 -0.001 0.000 2.923 1174 S HA -0.041 4.429 4.470 -0.000 0.000 0.324 1174 S C 0.880 175.482 174.600 0.002 0.000 0.592 1174 S CA 0.104 58.304 58.200 0.000 0.000 1.354 1174 S CB -0.699 62.501 63.200 -0.000 0.000 0.992 1174 S HN 0.589 nan 8.310 nan 0.000 0.677 1175 Q N 1.753 121.554 119.800 0.001 0.000 1.224 1175 Q HA 0.203 4.543 4.340 -0.000 0.000 0.719 1175 Q C 0.686 176.688 176.000 0.003 0.000 0.890 1175 Q CA 0.619 56.424 55.803 0.002 0.000 0.894 1175 Q CB -0.247 28.492 28.738 0.002 0.000 1.169 1175 Q HN 0.999 nan 8.270 nan 0.000 0.295 1176 S N 2.043 117.744 115.700 0.002 0.000 4.488 1176 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 1176 S C -1.724 172.878 174.600 0.002 0.000 0.639 1176 S CA -0.100 58.101 58.200 0.001 0.000 1.265 1176 S CB 0.199 63.399 63.200 -0.001 0.000 2.200 1176 S HN 0.299 nan 8.310 nan 0.000 0.336 1177 P HA -0.055 nan 4.420 nan 0.000 0.219 1177 P C 1.285 178.584 177.300 -0.000 0.000 1.146 1177 P CA 1.136 64.238 63.100 0.004 0.000 0.808 1177 P CB -0.095 31.608 31.700 0.004 0.000 0.779 1178 S N -0.098 115.600 115.700 -0.003 0.000 2.406 1178 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 1178 S C 1.817 176.410 174.600 -0.012 0.000 1.020 1178 S CA 0.478 58.673 58.200 -0.008 0.000 0.965 1178 S CB -0.997 62.199 63.200 -0.006 0.000 0.798 1178 S HN 0.081 nan 8.310 nan 0.000 0.488 1179 L N 1.476 122.695 121.223 -0.007 0.000 2.191 1179 L HA 0.041 4.381 4.340 -0.000 0.000 0.212 1179 L C 1.880 178.744 176.870 -0.010 0.000 1.103 1179 L CA 1.189 56.024 54.840 -0.008 0.000 0.769 1179 L CB -0.437 41.619 42.059 -0.004 0.000 0.908 1179 L HN 0.268 nan 8.230 nan 0.000 0.438 1180 L N -1.294 119.927 121.223 -0.003 0.000 2.131 1180 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 1180 L C 2.129 178.981 176.870 -0.029 0.000 1.087 1180 L CA 1.588 56.433 54.840 0.008 0.000 0.767 1180 L CB -0.418 41.658 42.059 0.028 0.000 0.917 1180 L HN 0.230 nan 8.230 nan 0.000 0.441 1181 L N -0.575 120.622 121.223 -0.043 0.000 2.201 1181 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 1181 L C 2.466 179.265 176.870 -0.118 0.000 1.105 1181 L CA 1.208 55.995 54.840 -0.088 0.000 0.775 1181 L CB -0.434 41.593 42.059 -0.054 0.000 0.913 1181 L HN 0.429 nan 8.230 nan 0.000 0.440 1182 E N 0.464 120.620 120.200 -0.074 0.000 2.152 1182 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 1182 E C 2.159 178.711 176.600 -0.081 0.000 0.983 1182 E CA 0.656 57.020 56.400 -0.059 0.000 0.818 1182 E CB 0.108 29.792 29.700 -0.027 0.000 0.758 1182 E HN 0.313 nan 8.360 nan 0.000 0.467 1183 L N 1.101 122.266 121.223 -0.096 0.000 2.201 1183 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 1183 L C 2.335 179.057 176.870 -0.247 0.000 1.105 1183 L CA 1.559 56.346 54.840 -0.089 0.000 0.775 1183 L CB -0.259 41.799 42.059 -0.002 0.000 0.913 1183 L HN -0.018 nan 8.230 nan 0.000 0.440 1184 R N -1.365 118.836 120.500 -0.498 0.000 2.119 1184 R HA -0.148 4.192 4.340 -0.000 0.000 0.222 1184 R C 2.243 178.305 176.300 -0.398 0.000 1.088 1184 R CA 1.130 56.683 56.100 -0.912 0.000 0.984 1184 R CB -0.090 29.652 30.300 -0.930 0.000 0.884 1184 R HN 0.358 nan 8.270 nan 0.000 0.447 1185 Q N 0.716 120.390 119.800 -0.209 0.000 2.137 1185 Q HA 0.037 4.377 4.340 -0.000 0.000 0.198 1185 Q C 1.846 177.856 176.000 0.016 0.000 0.960 1185 Q CA 1.351 57.104 55.803 -0.083 0.000 0.847 1185 Q CB -0.011 28.701 28.738 -0.043 0.000 0.915 1185 Q HN 0.416 nan 8.270 nan 0.000 0.448 1186 I N 0.759 121.352 120.570 0.038 0.000 2.423 1186 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 1186 I C 1.073 177.334 176.117 0.239 0.000 1.151 1186 I CA 1.181 62.578 61.300 0.162 0.000 1.421 1186 I CB -0.213 37.833 38.000 0.075 0.000 1.079 1186 I HN 0.206 nan 8.210 nan 0.000 0.431 1187 D N 0.763 121.246 120.400 0.138 0.000 2.213 1187 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 1187 D C 2.241 178.590 176.300 0.083 0.000 0.961 1187 D CA 1.179 55.276 54.000 0.161 0.000 0.853 1187 D CB 0.113 41.012 40.800 0.165 0.000 0.967 1187 D HN 0.302 nan 8.370 nan 0.000 0.496 1188 A N 1.213 124.043 122.820 0.017 0.000 1.897 1188 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 1188 A C 1.838 179.508 177.584 0.143 0.000 1.181 1188 A CA 1.269 53.275 52.037 -0.051 0.000 0.620 1188 A CB -0.219 18.666 19.000 -0.192 0.000 0.821 1188 A HN -0.031 nan 8.150 nan 0.000 0.443 1189 D N -0.387 120.105 120.400 0.153 0.000 2.078 1189 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 1189 D C 1.431 177.794 176.300 0.105 0.000 0.990 1189 D CA 1.182 55.267 54.000 0.141 0.000 0.827 1189 D CB -0.599 40.280 40.800 0.132 0.000 0.975 1189 D HN 0.387 nan 8.370 nan 0.000 0.451 1190 F N 0.218 120.155 119.950 -0.021 0.000 2.529 1190 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 1190 F C 2.214 177.921 175.800 -0.155 0.000 1.114 1190 F CA 0.625 58.558 58.000 -0.111 0.000 1.467 1190 F CB -0.079 38.789 39.000 -0.220 0.000 1.096 1190 F HN -0.030 nan 8.300 nan 0.000 0.586 1191 M N -1.777 117.868 119.600 0.074 0.000 2.534 1191 M HA 0.058 4.538 4.480 -0.000 0.000 0.263 1191 M C 2.069 178.371 176.300 0.004 0.000 1.152 1191 M CA 0.695 56.015 55.300 0.034 0.000 1.145 1191 M CB -0.775 31.888 32.600 0.106 0.000 1.333 1191 M HN 0.223 nan 8.290 nan 0.000 0.477 1192 L N 0.888 122.130 121.223 0.031 0.000 2.131 1192 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 1192 L C 1.978 178.762 176.870 -0.142 0.000 1.087 1192 L CA 1.855 56.633 54.840 -0.103 0.000 0.767 1192 L CB -0.525 41.479 42.059 -0.091 0.000 0.917 1192 L HN 0.130 nan 8.230 nan 0.000 0.441 1193 K N -1.074 119.226 120.400 -0.166 0.000 2.280 1193 K HA -0.080 4.239 4.320 -0.000 0.000 0.202 1193 K C 1.760 178.201 176.600 -0.265 0.000 1.047 1193 K CA 1.252 57.402 56.287 -0.228 0.000 0.942 1193 K CB -0.096 32.197 32.500 -0.345 0.000 0.739 1193 K HN 0.285 nan 8.250 nan 0.000 0.457 1194 V N 0.884 120.630 119.914 -0.280 0.000 2.878 1194 V HA -0.093 4.027 4.120 -0.000 0.000 0.250 1194 V C 1.956 177.904 176.094 -0.243 0.000 1.075 1194 V CA 1.124 63.184 62.300 -0.401 0.000 1.096 1194 V CB -0.150 31.439 31.823 -0.389 0.000 0.724 1194 V HN 0.257 nan 8.190 nan 0.000 0.467 1195 E N 0.565 120.666 120.200 -0.164 0.000 2.015 1195 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 1195 E C 2.252 178.800 176.600 -0.087 0.000 0.991 1195 E CA 1.395 57.727 56.400 -0.113 0.000 0.802 1195 E CB -0.151 29.476 29.700 -0.122 0.000 0.759 1195 E HN 0.478 nan 8.360 nan 0.000 0.447 1196 L N 0.635 121.800 121.223 -0.095 0.000 1.970 1196 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 1196 L C 2.729 179.591 176.870 -0.013 0.000 1.071 1196 L CA 1.239 56.044 54.840 -0.057 0.000 0.751 1196 L CB -0.803 41.209 42.059 -0.078 0.000 0.889 1196 L HN 0.137 nan 8.230 nan 0.000 0.432 1197 A N 0.452 123.247 122.820 -0.042 0.000 1.958 1197 A HA -0.273 4.047 4.320 -0.000 0.000 0.221 1197 A C 2.409 180.059 177.584 0.110 0.000 1.178 1197 A CA 2.740 54.801 52.037 0.040 0.000 0.642 1197 A CB -1.078 17.912 19.000 -0.017 0.000 0.816 1197 A HN 0.625 nan 8.150 nan 0.000 0.453 1198 T N -4.354 110.232 114.554 0.055 0.000 2.978 1198 T HA -0.046 4.304 4.350 -0.000 0.000 0.262 1198 T C 1.785 176.505 174.700 0.032 0.000 1.063 1198 T CA 1.641 63.785 62.100 0.074 0.000 1.140 1198 T CB -0.712 68.189 68.868 0.054 0.000 0.886 1198 T HN 0.312 nan 8.240 nan 0.000 0.470 1199 T N 1.166 115.737 114.554 0.027 0.000 2.708 1199 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 1199 T C 1.763 176.490 174.700 0.045 0.000 1.037 1199 T CA 1.841 63.956 62.100 0.023 0.000 1.146 1199 T CB -0.568 68.311 68.868 0.018 0.000 0.865 1199 T HN 0.682 nan 8.240 nan 0.000 0.435 1200 H N 0.691 119.753 119.070 -0.014 0.000 2.389 1200 H HA 0.090 4.646 4.556 -0.000 0.000 0.299 1200 H C 1.944 177.266 175.328 -0.010 0.000 1.081 1200 H CA 0.909 56.951 56.048 -0.009 0.000 1.345 1200 H CB -0.530 29.229 29.762 -0.006 0.000 1.393 1200 H HN 0.152 nan 8.280 nan 0.000 0.520 1201 L N 0.006 121.172 121.223 -0.094 0.000 2.265 1201 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 1201 L C 2.081 178.843 176.870 -0.179 0.000 1.117 1201 L CA 1.344 56.088 54.840 -0.161 0.000 0.782 1201 L CB -0.606 41.426 42.059 -0.046 0.000 0.914 1201 L HN 0.238 nan 8.230 nan 0.000 0.441 1202 S N -1.370 114.257 115.700 -0.121 0.000 2.335 1202 S HA -0.150 4.320 4.470 -0.000 0.000 0.217 1202 S C 1.785 176.319 174.600 -0.109 0.000 1.032 1202 S CA 1.610 59.751 58.200 -0.099 0.000 0.985 1202 S CB -0.522 62.647 63.200 -0.052 0.000 0.896 1202 S HN 0.528 nan 8.310 nan 0.000 0.445 1203 T N 2.594 117.079 114.554 -0.115 0.000 2.624 1203 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 1203 T C 1.874 176.496 174.700 -0.129 0.000 1.041 1203 T CA 1.882 63.923 62.100 -0.099 0.000 1.159 1203 T CB -0.438 68.381 68.868 -0.081 0.000 0.863 1203 T HN 0.196 nan 8.240 nan 0.000 0.434 1204 M N 1.029 120.476 119.600 -0.256 0.000 2.082 1204 M HA -0.096 4.384 4.480 -0.000 0.000 0.258 1204 M C 2.173 178.412 176.300 -0.102 0.000 1.069 1204 M CA 1.450 56.628 55.300 -0.204 0.000 1.102 1204 M CB -0.751 31.665 32.600 -0.307 0.000 1.336 1204 M HN 0.100 nan 8.290 nan 0.000 0.404 1205 V N 0.222 120.050 119.914 -0.143 0.000 2.343 1205 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 1205 V C 2.395 178.514 176.094 0.041 0.000 1.051 1205 V CA 2.033 64.269 62.300 -0.107 0.000 1.036 1205 V CB -0.800 30.873 31.823 -0.250 0.000 0.654 1205 V HN 0.465 nan 8.190 nan 0.000 0.451 1206 R N 0.084 120.591 120.500 0.011 0.000 2.120 1206 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 1206 R C 2.398 178.743 176.300 0.075 0.000 1.123 1206 R CA 1.431 57.561 56.100 0.051 0.000 0.975 1206 R CB -0.569 29.745 30.300 0.023 0.000 0.866 1206 R HN 0.558 nan 8.270 nan 0.000 0.446 1207 A N 0.853 123.706 122.820 0.056 0.000 1.855 1207 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 1207 A C 2.363 180.017 177.584 0.116 0.000 1.191 1207 A CA 1.353 53.433 52.037 0.071 0.000 0.613 1207 A CB -0.574 18.454 19.000 0.047 0.000 0.829 1207 A HN 0.105 nan 8.150 nan 0.000 0.442 1208 V N 0.533 120.533 119.914 0.144 0.000 2.469 1208 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 1208 V C 2.371 178.608 176.094 0.238 0.000 1.064 1208 V CA 1.911 64.336 62.300 0.208 0.000 1.066 1208 V CB -0.868 31.129 31.823 0.290 0.000 0.667 1208 V HN 0.546 nan 8.190 nan 0.000 0.461 1209 I N 0.744 121.452 120.570 0.229 0.000 2.142 1209 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 1209 I C 2.497 178.742 176.117 0.213 0.000 1.078 1209 I CA 2.196 63.621 61.300 0.207 0.000 1.343 1209 I CB -0.595 37.513 38.000 0.181 0.000 1.046 1209 I HN 0.421 nan 8.210 nan 0.000 0.405 1210 N N 1.493 120.292 118.700 0.166 0.000 2.043 1210 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 1210 N C 1.850 177.454 175.510 0.157 0.000 1.037 1210 N CA 1.988 55.125 53.050 0.145 0.000 0.851 1210 N CB -0.194 38.356 38.487 0.105 0.000 1.027 1210 N HN 0.306 nan 8.380 nan 0.000 0.422 1211 A N -0.976 121.936 122.820 0.154 0.000 1.940 1211 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 1211 A C 2.220 179.906 177.584 0.171 0.000 1.176 1211 A CA 1.553 53.675 52.037 0.140 0.000 0.631 1211 A CB -1.190 17.891 19.000 0.135 0.000 0.814 1211 A HN 0.658 nan 8.150 nan 0.000 0.446 1212 Y N 0.144 120.510 120.300 0.110 0.000 2.176 1212 Y HA -0.003 4.547 4.550 -0.000 0.000 0.291 1212 Y C 1.912 177.930 175.900 0.196 0.000 1.122 1212 Y CA 1.573 59.750 58.100 0.129 0.000 1.128 1212 Y CB -0.265 38.248 38.460 0.087 0.000 1.005 1212 Y HN 0.163 nan 8.280 nan 0.000 0.509 1213 L N 0.100 121.541 121.223 0.364 0.000 2.263 1213 L HA -0.250 4.089 4.340 -0.000 0.000 0.216 1213 L C 2.022 179.069 176.870 0.294 0.000 1.111 1213 L CA 1.022 56.041 54.840 0.299 0.000 0.773 1213 L CB -0.480 41.732 42.059 0.255 0.000 0.906 1213 L HN 0.396 nan 8.230 nan 0.000 0.439 1214 L N -1.043 120.279 121.223 0.165 0.000 2.189 1214 L HA -0.010 4.329 4.340 -0.000 0.000 0.199 1214 L C 1.738 178.588 176.870 -0.033 0.000 1.074 1214 L CA 0.693 55.583 54.840 0.083 0.000 0.783 1214 L CB -0.309 41.782 42.059 0.052 0.000 0.955 1214 L HN 0.284 nan 8.230 nan 0.000 0.460 1215 N N 0.154 118.816 118.700 -0.063 0.000 2.336 1215 N HA -0.086 4.653 4.740 -0.000 0.000 0.189 1215 N C 1.636 176.991 175.510 -0.258 0.000 1.113 1215 N CA 0.304 53.261 53.050 -0.155 0.000 0.858 1215 N CB 0.111 38.546 38.487 -0.086 0.000 0.970 1215 N HN 0.556 nan 8.380 nan 0.000 0.471 1216 W N 2.461 123.527 121.300 -0.391 0.000 2.325 1216 W HA -0.155 4.505 4.660 -0.000 0.000 0.299 1216 W C 1.067 177.424 176.519 -0.271 0.000 1.215 1216 W CA 0.546 57.583 57.345 -0.513 0.000 1.244 1216 W CB -0.796 28.217 29.460 -0.745 0.000 1.140 1216 W HN -0.032 nan 8.180 nan 0.000 0.523 1217 K N 0.660 120.307 120.400 -1.255 0.000 2.032 1217 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 1217 K C 2.149 178.473 176.600 -0.459 0.000 1.048 1217 K CA 1.777 57.424 56.287 -1.066 0.000 0.927 1217 K CB -0.275 31.586 32.500 -1.065 0.000 0.712 1217 K HN -0.074 nan 8.250 nan 0.000 0.441 1218 K N 1.026 121.213 120.400 -0.355 0.000 2.211 1218 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 1218 K C 2.080 178.597 176.600 -0.138 0.000 1.050 1218 K CA 0.806 56.971 56.287 -0.203 0.000 0.945 1218 K CB -0.167 32.236 32.500 -0.163 0.000 0.732 1218 K HN 0.208 nan 8.250 nan 0.000 0.451 1219 L N 0.425 121.568 121.223 -0.133 0.000 2.093 1219 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 1219 L C 2.109 178.964 176.870 -0.025 0.000 1.085 1219 L CA 0.777 55.580 54.840 -0.062 0.000 0.755 1219 L CB -0.307 41.727 42.059 -0.041 0.000 0.904 1219 L HN 0.066 nan 8.230 nan 0.000 0.435 1220 I N -1.218 119.342 120.570 -0.016 0.000 2.494 1220 I HA -0.057 4.113 4.170 -0.000 0.000 0.250 1220 I C 0.985 177.091 176.117 -0.018 0.000 1.112 1220 I CA 0.903 62.215 61.300 0.020 0.000 1.438 1220 I CB -0.438 37.611 38.000 0.082 0.000 1.111 1220 I HN 0.257 nan 8.210 nan 0.000 0.431 1221 Q N 2.052 121.815 119.800 -0.062 0.000 2.706 1221 Q HA 0.239 4.579 4.340 -0.000 0.000 0.250 1221 Q C -1.626 174.329 176.000 -0.075 0.000 1.120 1221 Q CA -1.654 54.110 55.803 -0.065 0.000 0.972 1221 Q CB 1.251 29.939 28.738 -0.083 0.000 1.173 1221 Q HN 0.263 nan 8.270 nan 0.000 0.522 1222 P HA -0.118 nan 4.420 nan 0.000 0.218 1222 P C -0.048 177.223 177.300 -0.048 0.000 1.149 1222 P CA 0.881 63.949 63.100 -0.054 0.000 0.817 1222 P CB 0.736 32.411 31.700 -0.042 0.000 0.785 1223 R N -0.425 120.049 120.500 -0.043 0.000 2.628 1223 R HA 0.427 4.767 4.340 -0.000 0.000 0.288 1223 R C -0.383 175.891 176.300 -0.043 0.000 0.980 1223 R CA -0.402 55.673 56.100 -0.041 0.000 0.891 1223 R CB 1.841 32.120 30.300 -0.034 0.000 1.188 1223 R HN -0.073 nan 8.270 nan 0.000 0.450 1224 T N -0.677 113.851 114.554 -0.044 0.000 3.053 1224 T HA 0.373 4.723 4.350 -0.000 0.000 0.363 1224 T C 0.581 175.255 174.700 -0.044 0.000 1.239 1224 T CA -0.834 61.242 62.100 -0.040 0.000 1.071 1224 T CB 1.173 70.018 68.868 -0.038 0.000 1.089 1224 T HN 0.659 nan 8.240 nan 0.000 0.527 1225 G N 1.990 110.761 108.800 -0.047 0.000 2.414 1225 G HA2 0.423 4.382 3.960 -0.000 0.000 0.236 1225 G HA3 0.423 4.382 3.960 -0.000 0.000 0.236 1225 G C 0.116 174.958 174.900 -0.097 0.000 1.293 1225 G CA -0.245 44.815 45.100 -0.067 0.000 0.869 1225 G HN 1.657 nan 8.290 nan 0.000 0.556 1226 S N 0.394 115.986 115.700 -0.180 0.000 2.465 1226 S HA 0.147 4.617 4.470 -0.000 0.000 0.186 1226 S C -1.424 172.800 174.600 -0.626 0.000 0.839 1226 S CA -0.956 57.002 58.200 -0.403 0.000 1.037 1226 S CB 0.807 63.858 63.200 -0.249 0.000 1.407 1226 S HN 0.401 nan 8.310 nan 0.000 0.396 1227 D N 2.798 122.914 120.400 -0.474 0.000 2.500 1227 D HA 0.338 4.978 4.640 -0.000 0.000 0.219 1227 D C 0.849 176.983 176.300 -0.277 0.000 1.137 1227 D CA -0.408 53.407 54.000 -0.308 0.000 0.946 1227 D CB 0.305 41.018 40.800 -0.146 0.000 1.022 1227 D HN 0.560 nan 8.370 nan 0.000 0.518 1228 H N 1.083 120.146 119.070 -0.012 0.000 2.582 1228 H HA 0.150 4.706 4.556 -0.000 0.000 0.269 1228 H C 1.516 176.838 175.328 -0.010 0.000 0.962 1228 H CA 0.472 56.513 56.048 -0.011 0.000 1.230 1228 H CB 0.347 30.102 29.762 -0.012 0.000 1.445 1228 H HN 0.351 nan 8.280 nan 0.000 0.528 1229 M N 0.602 120.244 119.600 0.070 0.000 2.191 1229 M HA 0.015 4.495 4.480 -0.000 0.000 0.262 1229 M C 0.765 177.075 176.300 0.017 0.000 1.083 1229 M CA 0.597 55.921 55.300 0.039 0.000 1.154 1229 M CB 0.225 32.837 32.600 0.021 0.000 1.344 1229 M HN -0.179 nan 8.290 nan 0.000 0.431 1230 V N 1.516 121.428 119.914 -0.003 0.000 2.775 1230 V HA 0.328 4.448 4.120 -0.000 0.000 0.299 1230 V C 0.255 176.347 176.094 -0.003 0.000 1.062 1230 V CA -0.292 62.004 62.300 -0.008 0.000 1.063 1230 V CB 0.759 32.570 31.823 -0.020 0.000 0.994 1230 V HN 0.607 nan 8.190 nan 0.000 0.483 1231 S N 0.000 115.700 115.700 -0.001 0.000 2.498 1231 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1231 S CA 0.000 58.201 58.200 0.002 0.000 1.107 1231 S CB 0.000 63.206 63.200 0.010 0.000 0.593 1231 S HN 0.000 nan 8.310 nan 0.000 0.517