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_c 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 0.059 nan 4.420 nan 0.000 0.230 1003 P C 1.323 178.627 177.300 0.007 0.000 1.168 1003 P CA 0.648 63.752 63.100 0.006 0.000 0.793 1003 P CB 0.976 32.679 31.700 0.005 0.000 0.851 1004 K N 0.562 120.966 120.400 0.007 0.000 2.137 1004 K HA 0.032 4.352 4.320 -0.000 0.000 0.202 1004 K C 2.278 178.883 176.600 0.008 0.000 1.052 1004 K CA 0.411 56.703 56.287 0.008 0.000 0.961 1004 K CB 0.061 32.565 32.500 0.007 0.000 0.741 1004 K HN -0.120 nan 8.250 nan 0.000 0.452 1005 R N 0.053 120.557 120.500 0.008 0.000 2.148 1005 R HA -0.031 4.309 4.340 -0.000 0.000 0.227 1005 R C 2.207 178.512 176.300 0.009 0.000 1.103 1005 R CA 1.117 57.221 56.100 0.008 0.000 0.983 1005 R CB -0.166 30.139 30.300 0.007 0.000 0.874 1005 R HN 0.192 nan 8.270 nan 0.000 0.451 1006 A N 1.066 123.891 122.820 0.008 0.000 1.929 1006 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 1006 A C 2.310 179.900 177.584 0.011 0.000 1.176 1006 A CA 1.309 53.351 52.037 0.009 0.000 0.628 1006 A CB -0.469 18.536 19.000 0.008 0.000 0.816 1006 A HN 0.355 nan 8.150 nan 0.000 0.444 1007 A N 0.232 123.058 122.820 0.011 0.000 1.845 1007 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 1007 A C 2.146 179.739 177.584 0.015 0.000 1.195 1007 A CA 1.527 53.572 52.037 0.013 0.000 0.616 1007 A CB -0.826 18.181 19.000 0.012 0.000 0.832 1007 A HN 0.455 nan 8.150 nan 0.000 0.443 1008 L N -0.485 120.747 121.223 0.014 0.000 1.997 1008 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 1008 L C 2.542 179.422 176.870 0.018 0.000 1.074 1008 L CA 1.800 56.650 54.840 0.016 0.000 0.763 1008 L CB -0.627 41.440 42.059 0.013 0.000 0.890 1008 L HN 0.414 nan 8.230 nan 0.000 0.434 1009 I N -0.900 119.679 120.570 0.015 0.000 2.454 1009 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 1009 I C 2.609 178.739 176.117 0.021 0.000 1.156 1009 I CA 0.830 62.140 61.300 0.015 0.000 1.433 1009 I CB -0.177 37.830 38.000 0.012 0.000 1.082 1009 I HN 0.354 nan 8.210 nan 0.000 0.432 1010 Q N 1.552 121.364 119.800 0.021 0.000 2.020 1010 Q HA -0.157 4.183 4.340 -0.000 0.000 0.198 1010 Q C 1.920 177.940 176.000 0.033 0.000 0.974 1010 Q CA 1.753 57.570 55.803 0.024 0.000 0.829 1010 Q CB -0.185 28.564 28.738 0.020 0.000 0.894 1010 Q HN 0.389 nan 8.270 nan 0.000 0.433 1011 N N 0.179 118.898 118.700 0.032 0.000 2.149 1011 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 1011 N C 1.785 177.331 175.510 0.059 0.000 1.019 1011 N CA 1.112 54.186 53.050 0.040 0.000 0.857 1011 N CB -0.356 38.152 38.487 0.035 0.000 0.997 1011 N HN 0.280 nan 8.380 nan 0.000 0.426 1012 L N 0.994 122.250 121.223 0.055 0.000 1.989 1012 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 1012 L C 2.265 179.195 176.870 0.099 0.000 1.071 1012 L CA 1.388 56.269 54.840 0.068 0.000 0.749 1012 L CB -0.169 41.908 42.059 0.030 0.000 0.890 1012 L HN 0.143 nan 8.230 nan 0.000 0.431 1013 R N -0.547 119.997 120.500 0.073 0.000 2.280 1013 R HA -0.090 4.249 4.340 -0.000 0.000 0.207 1013 R C 1.325 177.680 176.300 0.092 0.000 1.043 1013 R CA 0.620 56.771 56.100 0.084 0.000 1.006 1013 R CB -0.111 30.221 30.300 0.055 0.000 0.885 1013 R HN 0.427 nan 8.270 nan 0.000 0.467 1014 D N -0.399 120.048 120.400 0.078 0.000 2.305 1014 D HA 0.019 4.659 4.640 -0.000 0.000 0.206 1014 D C 1.426 177.758 176.300 0.054 0.000 0.974 1014 D CA 0.801 54.834 54.000 0.056 0.000 0.871 1014 D CB 0.312 41.135 40.800 0.038 0.000 0.947 1014 D HN 0.017 nan 8.370 nan 0.000 0.516 1015 S N -0.189 115.572 115.700 0.101 0.000 2.414 1015 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 1015 S C 0.240 174.819 174.600 -0.034 0.000 1.022 1015 S CA 0.575 58.818 58.200 0.072 0.000 0.958 1015 S CB 0.093 63.425 63.200 0.220 0.000 0.797 1015 S HN 0.238 nan 8.310 nan 0.000 0.493 1016 Y N 2.228 122.532 120.300 0.007 0.000 2.787 1016 Y HA 0.323 4.873 4.550 -0.000 0.000 0.352 1016 Y C 0.739 176.649 175.900 0.016 0.000 1.027 1016 Y CA -1.310 56.794 58.100 0.007 0.000 1.219 1016 Y CB 0.015 38.479 38.460 0.006 0.000 1.110 1016 Y HN 0.068 nan 8.280 nan 0.000 0.614 1017 T N -3.229 111.381 114.554 0.093 0.000 2.771 1017 T HA 0.102 4.452 4.350 -0.000 0.000 0.290 1017 T C 1.255 176.012 174.700 0.094 0.000 1.005 1017 T CA -0.498 61.652 62.100 0.083 0.000 0.944 1017 T CB 1.138 70.033 68.868 0.045 0.000 1.147 1017 T HN 0.474 nan 8.240 nan 0.000 0.534 1018 E N 0.002 120.260 120.200 0.098 0.000 2.204 1018 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 1018 E C 1.970 178.630 176.600 0.100 0.000 0.989 1018 E CA 1.185 57.661 56.400 0.127 0.000 0.824 1018 E CB -0.692 29.087 29.700 0.132 0.000 0.756 1018 E HN 0.779 nan 8.360 nan 0.000 0.477 1019 T N 0.379 114.969 114.554 0.061 0.000 2.788 1019 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 1019 T C 2.022 176.738 174.700 0.027 0.000 1.044 1019 T CA 1.403 63.541 62.100 0.064 0.000 1.139 1019 T CB -0.138 68.746 68.868 0.027 0.000 0.867 1019 T HN 0.111 nan 8.240 nan 0.000 0.454 1020 S N 1.893 117.589 115.700 -0.007 0.000 2.359 1020 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 1020 S C 2.532 177.078 174.600 -0.091 0.000 1.035 1020 S CA 1.556 59.718 58.200 -0.064 0.000 1.018 1020 S CB -0.465 62.691 63.200 -0.073 0.000 0.876 1020 S HN 0.764 nan 8.310 nan 0.000 0.448 1021 S N 1.124 116.794 115.700 -0.050 0.000 2.414 1021 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 1021 S C 1.623 176.043 174.600 -0.300 0.000 1.022 1021 S CA 0.475 58.575 58.200 -0.168 0.000 0.958 1021 S CB -0.629 62.534 63.200 -0.061 0.000 0.797 1021 S HN 0.425 nan 8.310 nan 0.000 0.493 1022 F N 3.217 122.993 119.950 -0.290 0.000 2.234 1022 F HA 0.266 4.793 4.527 -0.000 0.000 0.299 1022 F C 2.398 178.009 175.800 -0.315 0.000 1.087 1022 F CA 0.187 57.993 58.000 -0.323 0.000 1.340 1022 F CB -0.969 37.910 39.000 -0.201 0.000 1.031 1022 F HN 0.280 nan 8.300 nan 0.000 0.500 1023 A N -0.078 122.511 122.820 -0.385 0.000 1.933 1023 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 1023 A C 2.312 179.608 177.584 -0.479 0.000 1.175 1023 A CA 1.957 53.728 52.037 -0.443 0.000 0.628 1023 A CB -1.366 17.482 19.000 -0.255 0.000 0.814 1023 A HN 0.236 nan 8.150 nan 0.000 0.444 1024 V N 0.543 120.157 119.914 -0.500 0.000 2.407 1024 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 1024 V C 2.368 177.880 176.094 -0.971 0.000 1.055 1024 V CA 1.615 63.507 62.300 -0.679 0.000 1.049 1024 V CB -0.694 30.686 31.823 -0.738 0.000 0.662 1024 V HN 0.512 nan 8.190 nan 0.000 0.455 1025 I N 0.059 120.127 120.570 -0.836 0.000 2.353 1025 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 1025 I C 2.507 178.373 176.117 -0.418 0.000 1.119 1025 I CA 1.383 62.288 61.300 -0.658 0.000 1.417 1025 I CB -1.143 36.556 38.000 -0.501 0.000 1.078 1025 I HN 0.449 nan 8.210 nan 0.000 0.421 1026 E N 0.524 120.398 120.200 -0.543 0.000 2.077 1026 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 1026 E C 2.019 178.497 176.600 -0.204 0.000 0.989 1026 E CA 1.279 57.439 56.400 -0.401 0.000 0.800 1026 E CB -0.032 29.340 29.700 -0.547 0.000 0.746 1026 E HN 0.333 nan 8.360 nan 0.000 0.452 1027 E N 0.461 120.539 120.200 -0.202 0.000 2.058 1027 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 1027 E C 1.528 178.212 176.600 0.140 0.000 0.997 1027 E CA 1.336 57.711 56.400 -0.041 0.000 0.801 1027 E CB -0.277 29.403 29.700 -0.033 0.000 0.746 1027 E HN 0.289 nan 8.360 nan 0.000 0.450 1028 W N 0.577 121.802 121.300 -0.125 0.000 2.402 1028 W HA 0.133 4.793 4.660 -0.000 0.000 0.286 1028 W C 2.390 178.864 176.519 -0.076 0.000 1.221 1028 W CA 0.965 58.255 57.345 -0.093 0.000 1.257 1028 W CB -1.248 28.156 29.460 -0.093 0.000 1.120 1028 W HN 0.253 nan 8.180 nan 0.000 0.551 1029 A N -0.019 122.880 122.820 0.132 0.000 1.902 1029 A HA 0.094 4.413 4.320 -0.000 0.000 0.217 1029 A C 2.098 179.703 177.584 0.035 0.000 1.181 1029 A CA 2.782 54.855 52.037 0.061 0.000 0.623 1029 A CB -0.831 18.173 19.000 0.007 0.000 0.818 1029 A HN 0.126 nan 8.150 nan 0.000 0.443 1030 A N -1.547 121.284 122.820 0.019 0.000 2.417 1030 A HA 0.487 4.807 4.320 -0.000 0.000 0.224 1030 A C 2.330 179.920 177.584 0.010 0.000 2.273 1030 A CA 1.091 53.131 52.037 0.006 0.000 1.018 1030 A CB -1.349 17.643 19.000 -0.013 0.000 1.400 1030 A HN 0.746 nan 8.150 nan 0.000 0.580 1031 G N -0.291 108.513 108.800 0.006 0.000 2.672 1031 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 1031 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 1031 G C 1.497 176.401 174.900 0.006 0.000 1.238 1031 G CA 2.189 47.292 45.100 0.005 0.000 0.791 1031 G HN 0.460 nan 8.290 nan 0.000 0.606 1032 T N 1.070 115.641 114.554 0.028 0.000 2.803 1032 T HA -0.026 4.324 4.350 -0.000 0.000 0.269 1032 T C 2.367 177.032 174.700 -0.059 0.000 1.052 1032 T CA 0.939 63.026 62.100 -0.021 0.000 1.136 1032 T CB -0.137 68.708 68.868 -0.038 0.000 0.864 1032 T HN 0.130 nan 8.240 nan 0.000 0.467 1033 L N 0.376 121.583 121.223 -0.027 0.000 2.072 1033 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 1033 L C 2.831 179.685 176.870 -0.026 0.000 1.079 1033 L CA 1.286 56.105 54.840 -0.036 0.000 0.752 1033 L CB -0.391 41.662 42.059 -0.010 0.000 0.906 1033 L HN 0.316 nan 8.230 nan 0.000 0.436 1034 Q N -0.601 119.190 119.800 -0.015 0.000 2.119 1034 Q HA -0.260 4.080 4.340 -0.000 0.000 0.201 1034 Q C 1.960 177.952 176.000 -0.013 0.000 0.972 1034 Q CA 1.440 57.236 55.803 -0.011 0.000 0.847 1034 Q CB -0.020 28.714 28.738 -0.007 0.000 0.903 1034 Q HN 0.288 nan 8.270 nan 0.000 0.433 1035 E N 1.323 121.512 120.200 -0.019 0.000 2.077 1035 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 1035 E C 1.641 178.233 176.600 -0.014 0.000 0.989 1035 E CA 1.228 57.617 56.400 -0.017 0.000 0.800 1035 E CB -0.207 29.477 29.700 -0.026 0.000 0.746 1035 E HN 0.363 nan 8.360 nan 0.000 0.452 1036 I N 0.568 121.122 120.570 -0.027 0.000 2.226 1036 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 1036 I C 2.547 178.662 176.117 -0.004 0.000 1.100 1036 I CA 1.655 62.946 61.300 -0.015 0.000 1.374 1036 I CB -0.410 37.564 38.000 -0.043 0.000 1.057 1036 I HN 0.273 nan 8.210 nan 0.000 0.413 1037 E N 1.267 121.461 120.200 -0.011 0.000 2.265 1037 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 1037 E C 2.171 178.769 176.600 -0.003 0.000 0.996 1037 E CA 1.227 57.622 56.400 -0.008 0.000 0.832 1037 E CB -0.096 29.599 29.700 -0.009 0.000 0.756 1037 E HN 0.493 nan 8.360 nan 0.000 0.491 1038 G N 1.047 109.846 108.800 -0.001 0.000 2.395 1038 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 1038 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 1038 G C 1.551 176.456 174.900 0.008 0.000 1.177 1038 G CA 0.519 45.621 45.100 0.002 0.000 0.794 1038 G HN 0.260 nan 8.290 nan 0.000 0.532 1039 I N 1.564 122.144 120.570 0.017 0.000 2.567 1039 I HA -0.126 4.044 4.170 -0.000 0.000 0.257 1039 I C 3.143 179.266 176.117 0.009 0.000 1.184 1039 I CA 0.544 61.862 61.300 0.030 0.000 1.451 1039 I CB -0.072 37.974 38.000 0.076 0.000 1.089 1039 I HN 0.248 nan 8.210 nan 0.000 0.441 1040 A N 2.234 125.055 122.820 0.002 0.000 1.845 1040 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 1040 A C 2.328 179.900 177.584 -0.019 0.000 1.195 1040 A CA 2.019 54.047 52.037 -0.015 0.000 0.616 1040 A CB -0.485 18.508 19.000 -0.013 0.000 0.832 1040 A HN 0.517 nan 8.150 nan 0.000 0.443 1041 K N -0.606 119.788 120.400 -0.010 0.000 2.365 1041 K HA 0.326 4.646 4.320 -0.000 0.000 0.197 1041 K C 1.870 178.470 176.600 -0.000 0.000 1.042 1041 K CA 0.947 57.230 56.287 -0.007 0.000 0.987 1041 K CB -0.268 32.230 32.500 -0.003 0.000 0.779 1041 K HN 0.261 nan 8.250 nan 0.000 0.484 1042 A N 1.913 124.733 122.820 0.001 0.000 1.933 1042 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 1042 A C 2.342 179.929 177.584 0.005 0.000 1.175 1042 A CA 1.685 53.725 52.037 0.005 0.000 0.628 1042 A CB -0.512 18.494 19.000 0.008 0.000 0.814 1042 A HN 0.471 nan 8.150 nan 0.000 0.444 1043 A N -1.206 121.611 122.820 -0.005 0.000 2.238 1043 A HA 0.564 4.884 4.320 -0.000 0.000 0.210 1043 A C 2.138 179.732 177.584 0.017 0.000 1.179 1043 A CA 1.104 53.138 52.037 -0.005 0.000 0.827 1043 A CB -0.450 18.523 19.000 -0.044 0.000 0.856 1043 A HN 0.786 nan 8.150 nan 0.000 0.488 1044 A N 1.240 124.062 122.820 0.003 0.000 1.897 1044 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 1044 A C 1.921 179.535 177.584 0.048 0.000 1.181 1044 A CA 1.429 53.467 52.037 0.002 0.000 0.620 1044 A CB -0.430 18.559 19.000 -0.018 0.000 0.821 1044 A HN 0.687 nan 8.150 nan 0.000 0.443 1045 E N -0.267 119.957 120.200 0.039 0.000 2.216 1045 E HA 0.154 4.504 4.350 -0.000 0.000 0.192 1045 E C 1.809 178.443 176.600 0.056 0.000 0.988 1045 E CA 0.734 57.160 56.400 0.045 0.000 0.834 1045 E CB -0.296 29.421 29.700 0.027 0.000 0.772 1045 E HN 0.430 nan 8.360 nan 0.000 0.479 1046 A N 1.678 124.532 122.820 0.056 0.000 2.066 1046 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 1046 A C 2.073 179.702 177.584 0.075 0.000 1.157 1046 A CA 1.327 53.395 52.037 0.052 0.000 0.670 1046 A CB -0.787 18.235 19.000 0.035 0.000 0.804 1046 A HN 0.419 nan 8.150 nan 0.000 0.453 1047 H N -0.421 118.651 119.070 0.002 0.000 2.482 1047 H HA 0.023 4.579 4.556 -0.000 0.000 0.286 1047 H C 2.083 177.419 175.328 0.013 0.000 1.017 1047 H CA 1.352 57.403 56.048 0.005 0.000 1.322 1047 H CB -0.175 29.581 29.762 -0.010 0.000 1.426 1047 H HN 0.396 nan 8.280 nan 0.000 0.546 1048 G N 0.455 109.344 108.800 0.149 0.000 2.421 1048 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 1048 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 1048 G C 1.825 176.744 174.900 0.032 0.000 1.143 1048 G CA 0.760 45.919 45.100 0.098 0.000 0.784 1048 G HN 0.304 nan 8.290 nan 0.000 0.541 1049 V N 1.493 121.423 119.914 0.027 0.000 2.261 1049 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 1049 V C 2.756 178.862 176.094 0.021 0.000 1.047 1049 V CA 1.544 63.857 62.300 0.022 0.000 1.015 1049 V CB -0.442 31.396 31.823 0.026 0.000 0.642 1049 V HN 0.386 nan 8.190 nan 0.000 0.446 1050 I N -0.066 120.507 120.570 0.005 0.000 2.454 1050 I HA -0.239 3.931 4.170 -0.000 0.000 0.254 1050 I C 2.662 178.771 176.117 -0.014 0.000 1.156 1050 I CA 1.508 62.829 61.300 0.034 0.000 1.433 1050 I CB -0.464 37.525 38.000 -0.019 0.000 1.082 1050 I HN 0.267 nan 8.210 nan 0.000 0.432 1051 R N 1.442 121.896 120.500 -0.078 0.000 2.148 1051 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 1051 R C 0.758 177.057 176.300 -0.002 0.000 1.088 1051 R CA 1.081 57.144 56.100 -0.063 0.000 0.985 1051 R CB 0.067 30.336 30.300 -0.052 0.000 0.880 1051 R HN 0.356 nan 8.270 nan 0.000 0.451 1052 N N 0.522 119.231 118.700 0.016 0.000 2.380 1052 N HA 0.112 4.852 4.740 -0.000 0.000 0.255 1052 N C -1.096 174.437 175.510 0.038 0.000 1.158 1052 N CA 0.056 53.121 53.050 0.025 0.000 0.878 1052 N CB 1.441 39.941 38.487 0.021 0.000 1.138 1052 N HN -0.006 nan 8.380 nan 0.000 0.509 1053 S N -0.495 115.247 115.700 0.069 0.000 2.599 1053 S HA 0.524 4.994 4.470 -0.000 0.000 0.294 1053 S C -0.105 174.581 174.600 0.143 0.000 1.094 1053 S CA -0.529 57.725 58.200 0.090 0.000 0.931 1053 S CB 2.392 65.658 63.200 0.110 0.000 1.093 1053 S HN -0.011 nan 8.310 nan 0.000 0.488 1054 T N 2.576 117.192 114.554 0.103 0.000 2.770 1054 T HA 0.444 4.794 4.350 -0.000 0.000 0.283 1054 T C -1.274 173.508 174.700 0.138 0.000 0.988 1054 T CA -0.225 61.951 62.100 0.127 0.000 0.957 1054 T CB 0.155 69.058 68.868 0.058 0.000 0.930 1054 T HN 0.387 nan 8.240 nan 0.000 0.443 1055 Y N 1.783 122.078 120.300 -0.008 0.000 2.316 1055 Y HA 0.595 5.145 4.550 -0.000 0.000 0.331 1055 Y C 0.945 176.841 175.900 -0.007 0.000 1.083 1055 Y CA -0.152 57.943 58.100 -0.007 0.000 1.206 1055 Y CB 1.219 39.674 38.460 -0.007 0.000 1.195 1055 Y HN 0.838 nan 8.280 nan 0.000 0.497 1056 G N 2.062 110.890 108.800 0.046 0.000 3.015 1056 G HA2 0.278 4.238 3.960 -0.000 0.000 0.281 1056 G HA3 0.278 4.238 3.960 -0.000 0.000 0.281 1056 G C 0.307 175.220 174.900 0.021 0.000 1.386 1056 G CA -0.914 44.204 45.100 0.030 0.000 0.959 1056 G HN 0.600 nan 8.290 nan 0.000 0.522 1057 R N -0.722 119.786 120.500 0.013 0.000 2.159 1057 R HA -0.095 4.244 4.340 -0.000 0.000 0.237 1057 R C 2.510 178.804 176.300 -0.009 0.000 1.131 1057 R CA 1.875 57.980 56.100 0.008 0.000 0.982 1057 R CB -0.402 29.899 30.300 0.003 0.000 0.868 1057 R HN 0.501 nan 8.270 nan 0.000 0.453 1058 A N 0.609 123.412 122.820 -0.028 0.000 1.940 1058 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 1058 A C 1.878 179.425 177.584 -0.062 0.000 1.176 1058 A CA 1.429 53.439 52.037 -0.045 0.000 0.631 1058 A CB -0.275 18.692 19.000 -0.056 0.000 0.814 1058 A HN 0.406 nan 8.150 nan 0.000 0.446 1059 Q N -0.768 118.977 119.800 -0.093 0.000 2.472 1059 Q HA 0.323 4.663 4.340 -0.000 0.000 0.208 1059 Q C 1.690 177.676 176.000 -0.023 0.000 0.958 1059 Q CA 0.846 56.575 55.803 -0.124 0.000 0.932 1059 Q CB -0.222 28.303 28.738 -0.356 0.000 1.007 1059 Q HN 0.647 nan 8.270 nan 0.000 0.508 1060 A N 0.225 123.047 122.820 0.002 0.000 2.238 1060 A HA 0.036 4.356 4.320 -0.000 0.000 0.210 1060 A C 0.973 178.552 177.584 -0.008 0.000 1.179 1060 A CA 0.148 52.194 52.037 0.015 0.000 0.827 1060 A CB 0.245 19.258 19.000 0.023 0.000 0.856 1060 A HN 0.218 nan 8.150 nan 0.000 0.488 1061 E N -0.149 120.041 120.200 -0.017 0.000 2.437 1061 E HA 0.186 4.536 4.350 -0.000 0.000 0.195 1061 E C -0.209 176.378 176.600 -0.022 0.000 1.029 1061 E CA -0.027 56.361 56.400 -0.019 0.000 0.948 1061 E CB 0.225 29.913 29.700 -0.019 0.000 1.082 1061 E HN 0.408 nan 8.360 nan 0.000 0.456 1062 K N 0.265 120.652 120.400 -0.022 0.000 2.622 1062 K HA 0.214 4.534 4.320 -0.000 0.000 0.273 1062 K C -1.595 174.996 176.600 -0.014 0.000 0.957 1062 K CA -0.413 55.862 56.287 -0.020 0.000 0.861 1062 K CB 1.824 34.311 32.500 -0.022 0.000 1.405 1062 K HN -0.140 nan 8.250 nan 0.000 0.406 1063 S N 3.874 119.569 115.700 -0.007 0.000 2.438 1063 S HA 0.336 4.806 4.470 -0.000 0.000 0.293 1063 S C -2.456 172.167 174.600 0.038 0.000 1.141 1063 S CA -1.130 57.076 58.200 0.010 0.000 1.080 1063 S CB 1.095 64.293 63.200 -0.004 0.000 0.978 1063 S HN 0.404 nan 8.310 nan 0.000 0.479 1064 P HA 0.015 nan 4.420 nan 0.000 0.254 1064 P C 0.143 177.484 177.300 0.068 0.000 1.186 1064 P CA 0.248 63.385 63.100 0.062 0.000 0.868 1064 P CB 0.309 32.064 31.700 0.092 0.000 0.856 1065 E N 2.139 122.364 120.200 0.042 0.000 2.209 1065 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 1065 E C 1.907 178.530 176.600 0.038 0.000 0.993 1065 E CA 0.928 57.352 56.400 0.040 0.000 0.819 1065 E CB 0.010 29.725 29.700 0.025 0.000 0.745 1065 E HN 0.607 nan 8.360 nan 0.000 0.477 1066 Q N 0.819 120.638 119.800 0.032 0.000 2.119 1066 Q HA -0.162 4.178 4.340 -0.000 0.000 0.201 1066 Q C 2.139 178.154 176.000 0.024 0.000 0.972 1066 Q CA 0.992 56.810 55.803 0.026 0.000 0.847 1066 Q CB 0.065 28.816 28.738 0.021 0.000 0.903 1066 Q HN 0.314 nan 8.270 nan 0.000 0.433 1067 L N 0.301 121.543 121.223 0.031 0.000 2.093 1067 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 1067 L C 2.371 179.237 176.870 -0.006 0.000 1.085 1067 L CA 0.734 55.571 54.840 -0.004 0.000 0.755 1067 L CB -0.467 41.584 42.059 -0.014 0.000 0.904 1067 L HN 0.315 nan 8.230 nan 0.000 0.435 1068 L N -0.099 121.156 121.223 0.054 0.000 2.265 1068 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 1068 L C 2.565 179.464 176.870 0.049 0.000 1.117 1068 L CA 0.968 55.851 54.840 0.073 0.000 0.782 1068 L CB -0.975 41.140 42.059 0.094 0.000 0.914 1068 L HN 0.300 nan 8.230 nan 0.000 0.441 1069 G N -0.578 108.244 108.800 0.036 0.000 2.421 1069 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.217 1069 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.217 1069 G C 1.549 176.468 174.900 0.032 0.000 1.143 1069 G CA 0.555 45.674 45.100 0.032 0.000 0.784 1069 G HN 0.161 nan 8.290 nan 0.000 0.541 1070 V N 0.920 120.847 119.914 0.021 0.000 2.273 1070 V HA 0.006 4.126 4.120 -0.000 0.000 0.242 1070 V C 2.807 178.931 176.094 0.050 0.000 1.035 1070 V CA 1.020 63.333 62.300 0.022 0.000 1.013 1070 V CB -0.509 31.307 31.823 -0.010 0.000 0.652 1070 V HN 0.292 nan 8.190 nan 0.000 0.452 1071 L N 0.103 121.340 121.223 0.023 0.000 2.263 1071 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 1071 L C 2.541 179.491 176.870 0.135 0.000 1.111 1071 L CA 1.516 56.399 54.840 0.072 0.000 0.773 1071 L CB -0.460 41.614 42.059 0.026 0.000 0.906 1071 L HN 0.422 nan 8.230 nan 0.000 0.439 1072 Q N 0.520 120.375 119.800 0.092 0.000 2.089 1072 Q HA -0.153 4.187 4.340 -0.000 0.000 0.195 1072 Q C 2.258 178.301 176.000 0.073 0.000 0.963 1072 Q CA 1.291 57.140 55.803 0.078 0.000 0.834 1072 Q CB -0.126 28.647 28.738 0.058 0.000 0.906 1072 Q HN 0.226 nan 8.270 nan 0.000 0.452 1073 R N -1.093 119.452 120.500 0.074 0.000 2.159 1073 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 1073 R C 1.918 178.270 176.300 0.087 0.000 1.131 1073 R CA 1.425 57.563 56.100 0.063 0.000 0.982 1073 R CB -0.312 30.021 30.300 0.055 0.000 0.868 1073 R HN 0.422 nan 8.270 nan 0.000 0.453 1074 Y N 0.873 121.164 120.300 -0.015 0.000 2.176 1074 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 1074 Y C 2.382 178.266 175.900 -0.028 0.000 1.122 1074 Y CA 1.805 59.891 58.100 -0.024 0.000 1.128 1074 Y CB -0.446 38.000 38.460 -0.022 0.000 1.005 1074 Y HN 0.071 nan 8.280 nan 0.000 0.509 1075 Q N 0.175 119.960 119.800 -0.026 0.000 2.197 1075 Q HA -0.244 4.096 4.340 -0.000 0.000 0.207 1075 Q C 1.488 177.405 176.000 -0.137 0.000 0.984 1075 Q CA 2.083 57.795 55.803 -0.151 0.000 0.869 1075 Q CB -0.196 28.516 28.738 -0.044 0.000 0.906 1075 Q HN 0.575 nan 8.270 nan 0.000 0.426 1076 D N 0.445 120.808 120.400 -0.061 0.000 2.097 1076 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 1076 D C 2.003 178.260 176.300 -0.073 0.000 0.984 1076 D CA 0.980 54.965 54.000 -0.025 0.000 0.826 1076 D CB -0.176 40.617 40.800 -0.012 0.000 0.973 1076 D HN 0.312 nan 8.370 nan 0.000 0.460 1077 L N 0.645 121.793 121.223 -0.125 0.000 2.017 1077 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 1077 L C 2.449 179.208 176.870 -0.185 0.000 1.073 1077 L CA 1.433 56.183 54.840 -0.150 0.000 0.745 1077 L CB -0.222 41.750 42.059 -0.146 0.000 0.894 1077 L HN 0.028 nan 8.230 nan 0.000 0.432 1078 C N -0.415 118.707 119.300 -0.297 0.000 2.413 1078 C HA -0.245 4.215 4.460 -0.000 0.000 0.276 1078 C C 2.614 177.571 174.990 -0.055 0.000 1.236 1078 C CA 1.288 60.153 59.018 -0.254 0.000 1.735 1078 C CB -1.489 26.012 27.740 -0.400 0.000 2.031 1078 C HN 0.726 nan 8.230 nan 0.000 0.474 1079 H N 1.290 120.260 119.070 -0.168 0.000 2.265 1079 H HA -0.188 4.368 4.556 -0.000 0.000 0.293 1079 H C 2.081 177.413 175.328 0.008 0.000 1.089 1079 H CA 2.042 58.037 56.048 -0.088 0.000 1.244 1079 H CB -0.172 29.534 29.762 -0.095 0.000 1.355 1079 H HN 0.467 nan 8.280 nan 0.000 0.485 1080 N N 0.531 119.203 118.700 -0.046 0.000 2.018 1080 N HA -0.166 4.574 4.740 -0.000 0.000 0.196 1080 N C 2.222 177.770 175.510 0.063 0.000 1.043 1080 N CA 1.421 54.420 53.050 -0.084 0.000 0.856 1080 N CB -0.794 37.627 38.487 -0.111 0.000 1.042 1080 N HN 0.215 nan 8.380 nan 0.000 0.423 1081 V N 1.245 121.170 119.914 0.020 0.000 2.250 1081 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 1081 V C 2.149 178.331 176.094 0.146 0.000 1.060 1081 V CA 1.834 64.141 62.300 0.012 0.000 1.030 1081 V CB -0.831 30.866 31.823 -0.211 0.000 0.643 1081 V HN 0.312 nan 8.190 nan 0.000 0.445 1082 Y N -0.171 120.151 120.300 0.037 0.000 2.241 1082 Y HA -0.322 4.228 4.550 -0.000 0.000 0.286 1082 Y C 2.430 178.402 175.900 0.120 0.000 1.166 1082 Y CA 2.044 60.189 58.100 0.074 0.000 1.203 1082 Y CB -0.335 38.156 38.460 0.051 0.000 0.977 1082 Y HN 0.311 nan 8.280 nan 0.000 0.529 1083 C N -0.133 119.333 119.300 0.277 0.000 2.492 1083 C HA -0.092 4.368 4.460 -0.000 0.000 0.279 1083 C C 2.455 177.514 174.990 0.115 0.000 1.335 1083 C CA 0.889 60.028 59.018 0.202 0.000 1.734 1083 C CB -0.868 27.009 27.740 0.227 0.000 2.027 1083 C HN 0.592 nan 8.230 nan 0.000 0.496 1084 Q N 1.018 120.916 119.800 0.165 0.000 2.230 1084 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 1084 Q C 2.377 178.464 176.000 0.145 0.000 0.963 1084 Q CA 1.455 57.360 55.803 0.169 0.000 0.866 1084 Q CB -0.209 28.741 28.738 0.355 0.000 0.931 1084 Q HN 0.737 nan 8.270 nan 0.000 0.452 1085 A N 1.398 124.340 122.820 0.203 0.000 1.854 1085 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 1085 A C 1.913 179.486 177.584 -0.019 0.000 1.192 1085 A CA 0.920 53.039 52.037 0.138 0.000 0.611 1085 A CB -0.247 18.812 19.000 0.099 0.000 0.832 1085 A HN 0.116 nan 8.150 nan 0.000 0.442 1086 E N 0.009 120.141 120.200 -0.113 0.000 2.284 1086 E HA -0.153 4.197 4.350 -0.000 0.000 0.200 1086 E C 1.971 178.564 176.600 -0.012 0.000 1.008 1086 E CA 1.597 57.932 56.400 -0.108 0.000 0.829 1086 E CB -0.649 28.975 29.700 -0.128 0.000 0.744 1086 E HN 0.627 nan 8.360 nan 0.000 0.491 1087 T N 1.013 115.585 114.554 0.031 0.000 2.732 1087 T HA -0.016 4.334 4.350 -0.000 0.000 0.261 1087 T C 2.104 176.843 174.700 0.064 0.000 1.040 1087 T CA 0.691 62.854 62.100 0.105 0.000 1.145 1087 T CB -0.137 68.763 68.868 0.054 0.000 0.866 1087 T HN 0.132 nan 8.240 nan 0.000 0.427 1088 I N 0.733 121.289 120.570 -0.023 0.000 2.264 1088 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 1088 I C 2.859 178.988 176.117 0.020 0.000 1.111 1088 I CA 1.255 62.537 61.300 -0.030 0.000 1.382 1088 I CB -0.328 37.605 38.000 -0.113 0.000 1.060 1088 I HN 0.136 nan 8.210 nan 0.000 0.418 1089 R N 0.117 120.616 120.500 -0.002 0.000 2.075 1089 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 1089 R C 2.278 178.552 176.300 -0.044 0.000 1.126 1089 R CA 1.779 57.871 56.100 -0.014 0.000 0.963 1089 R CB -0.633 29.647 30.300 -0.033 0.000 0.858 1089 R HN 0.345 nan 8.270 nan 0.000 0.435 1090 T N 0.950 115.455 114.554 -0.081 0.000 2.833 1090 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 1090 T C 1.972 176.581 174.700 -0.152 0.000 1.054 1090 T CA 1.003 62.975 62.100 -0.213 0.000 1.135 1090 T CB -0.085 68.492 68.868 -0.485 0.000 0.869 1090 T HN -0.002 nan 8.240 nan 0.000 0.466 1091 V N 1.051 120.964 119.914 -0.001 0.000 2.427 1091 V HA -0.095 4.024 4.120 -0.000 0.000 0.248 1091 V C 2.243 178.364 176.094 0.045 0.000 1.051 1091 V CA 1.384 63.731 62.300 0.078 0.000 1.048 1091 V CB -0.484 31.421 31.823 0.137 0.000 0.666 1091 V HN 0.499 nan 8.190 nan 0.000 0.456 1092 I N 0.074 120.659 120.570 0.025 0.000 2.270 1092 I HA -0.051 4.119 4.170 -0.000 0.000 0.239 1092 I C 2.730 178.826 176.117 -0.034 0.000 1.080 1092 I CA 1.059 62.362 61.300 0.005 0.000 1.383 1092 I CB -0.753 37.250 38.000 0.006 0.000 1.097 1092 I HN 0.224 nan 8.210 nan 0.000 0.420 1093 A N 1.955 124.746 122.820 -0.049 0.000 1.940 1093 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 1093 A C 2.210 179.763 177.584 -0.051 0.000 1.190 1093 A CA 2.408 54.410 52.037 -0.057 0.000 0.647 1093 A CB -1.268 17.697 19.000 -0.059 0.000 0.821 1093 A HN 0.673 nan 8.150 nan 0.000 0.457 1094 I N -4.746 115.791 120.570 -0.054 0.000 3.444 1094 I HA 0.083 4.253 4.170 -0.000 0.000 0.287 1094 I C 1.366 177.473 176.117 -0.018 0.000 1.302 1094 I CA 0.707 61.983 61.300 -0.040 0.000 1.368 1094 I CB -0.069 37.901 38.000 -0.051 0.000 1.048 1094 I HN 0.092 nan 8.210 nan 0.000 0.487 1095 R N 1.194 121.683 120.500 -0.019 0.000 2.652 1095 R HA 0.482 4.822 4.340 -0.000 0.000 0.372 1095 R C -0.210 176.074 176.300 -0.026 0.000 1.104 1095 R CA -0.269 55.824 56.100 -0.012 0.000 1.072 1095 R CB 0.579 30.879 30.300 0.001 0.000 1.367 1095 R HN 0.325 nan 8.270 nan 0.000 0.577 1096 I N 4.004 124.555 120.570 -0.032 0.000 2.312 1096 I HA 0.178 4.347 4.170 -0.000 0.000 0.291 1096 I C -1.435 174.682 176.117 0.000 0.000 1.031 1096 I CA -1.890 59.389 61.300 -0.036 0.000 1.293 1096 I CB 0.908 38.880 38.000 -0.047 0.000 1.403 1096 I HN -0.088 nan 8.210 nan 0.000 0.484 1097 P HA 0.004 nan 4.420 nan 0.000 0.274 1097 P C -0.252 177.072 177.300 0.041 0.000 1.264 1097 P CA -0.436 62.673 63.100 0.016 0.000 0.795 1097 P CB 0.558 32.260 31.700 0.003 0.000 1.064 1098 E N -0.017 120.203 120.200 0.033 0.000 2.529 1098 E HA -0.149 4.201 4.350 -0.000 0.000 0.259 1098 E C -0.130 176.514 176.600 0.074 0.000 0.966 1098 E CA -0.012 56.418 56.400 0.051 0.000 0.937 1098 E CB -0.026 29.689 29.700 0.025 0.000 0.923 1098 E HN 0.379 nan 8.360 nan 0.000 0.468 1099 H N 4.614 123.693 119.070 0.015 0.000 3.082 1099 H HA 0.118 4.674 4.556 -0.000 0.000 0.275 1099 H C -0.703 174.632 175.328 0.011 0.000 1.032 1099 H CA 0.648 56.708 56.048 0.019 0.000 1.477 1099 H CB 0.187 29.960 29.762 0.019 0.000 1.520 1099 H HN 0.346 nan 8.280 nan 0.000 0.521 1100 K N 3.124 123.295 120.400 -0.380 0.000 2.349 1100 K HA 0.239 4.559 4.320 -0.000 0.000 0.243 1100 K C 0.186 176.566 176.600 -0.367 0.000 1.058 1100 K CA -0.959 55.148 56.287 -0.299 0.000 0.871 1100 K CB 1.406 33.824 32.500 -0.137 0.000 1.337 1100 K HN 0.541 nan 8.250 nan 0.000 0.469 1101 E N 1.431 121.507 120.200 -0.206 0.000 2.548 1101 E HA 0.052 4.402 4.350 -0.000 0.000 0.206 1101 E C -0.727 175.820 176.600 -0.088 0.000 1.005 1101 E CA 0.232 56.546 56.400 -0.144 0.000 0.951 1101 E CB 0.733 30.377 29.700 -0.093 0.000 1.035 1101 E HN 0.580 nan 8.360 nan 0.000 0.470 1102 E N -0.605 119.544 120.200 -0.086 0.000 2.433 1102 E HA 0.309 4.659 4.350 -0.000 0.000 0.278 1102 E C -0.702 175.866 176.600 -0.053 0.000 0.976 1102 E CA -0.819 55.547 56.400 -0.057 0.000 0.793 1102 E CB 0.988 30.659 29.700 -0.048 0.000 1.311 1102 E HN -0.250 nan 8.360 nan 0.000 0.460 1103 D N 0.458 120.834 120.400 -0.040 0.000 2.723 1103 D HA -0.147 4.493 4.640 -0.000 0.000 0.236 1103 D C -0.706 175.576 176.300 -0.030 0.000 1.138 1103 D CA 0.576 54.555 54.000 -0.035 0.000 0.676 1103 D CB -1.310 39.468 40.800 -0.038 0.000 1.069 1103 D HN 0.567 nan 8.370 nan 0.000 0.430 1104 N N 0.269 118.954 118.700 -0.024 0.000 2.321 1104 N HA 0.140 4.880 4.740 -0.000 0.000 0.242 1104 N C 1.783 177.293 175.510 0.000 0.000 1.141 1104 N CA -0.283 52.762 53.050 -0.008 0.000 0.864 1104 N CB 0.220 38.706 38.487 -0.002 0.000 1.100 1104 N HN 0.412 nan 8.380 nan 0.000 0.510 1105 L N -0.330 120.886 121.223 -0.013 0.000 2.093 1105 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 1105 L C 2.335 179.195 176.870 -0.017 0.000 1.085 1105 L CA 1.369 56.200 54.840 -0.014 0.000 0.755 1105 L CB -0.350 41.695 42.059 -0.024 0.000 0.904 1105 L HN 0.222 nan 8.230 nan 0.000 0.435 1106 G N -0.711 108.074 108.800 -0.025 0.000 2.411 1106 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.213 1106 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.213 1106 G C 1.578 176.466 174.900 -0.020 0.000 1.166 1106 G CA 0.537 45.615 45.100 -0.037 0.000 0.802 1106 G HN 0.143 nan 8.290 nan 0.000 0.533 1107 V N 1.951 121.866 119.914 0.002 0.000 2.380 1107 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 1107 V C 3.330 179.480 176.094 0.092 0.000 1.063 1107 V CA 2.077 64.397 62.300 0.034 0.000 1.055 1107 V CB -1.013 30.860 31.823 0.084 0.000 0.657 1107 V HN 0.462 nan 8.190 nan 0.000 0.455 1108 A N -0.153 122.719 122.820 0.086 0.000 1.883 1108 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 1108 A C 2.416 180.045 177.584 0.076 0.000 1.186 1108 A CA 2.215 54.312 52.037 0.100 0.000 0.624 1108 A CB -0.755 18.275 19.000 0.051 0.000 0.822 1108 A HN 0.351 nan 8.150 nan 0.000 0.444 1109 V N 0.167 120.096 119.914 0.026 0.000 2.332 1109 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 1109 V C 2.681 178.776 176.094 0.001 0.000 1.055 1109 V CA 2.296 64.599 62.300 0.005 0.000 1.038 1109 V CB -0.989 30.815 31.823 -0.032 0.000 0.651 1109 V HN 0.649 nan 8.190 nan 0.000 0.450 1110 Q N -0.927 118.854 119.800 -0.031 0.000 2.002 1110 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 1110 Q C 2.331 178.282 176.000 -0.081 0.000 0.988 1110 Q CA 1.866 57.618 55.803 -0.084 0.000 0.843 1110 Q CB -0.393 28.243 28.738 -0.170 0.000 0.908 1110 Q HN 0.692 nan 8.270 nan 0.000 0.420 1111 H N 0.081 119.164 119.070 0.021 0.000 2.387 1111 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 1111 H C 2.094 177.440 175.328 0.030 0.000 1.099 1111 H CA 1.407 57.471 56.048 0.026 0.000 1.315 1111 H CB -0.171 29.606 29.762 0.025 0.000 1.380 1111 H HN 0.342 nan 8.280 nan 0.000 0.513 1112 A N 0.590 123.491 122.820 0.135 0.000 1.858 1112 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 1112 A C 2.886 180.518 177.584 0.080 0.000 1.190 1112 A CA 1.863 53.956 52.037 0.092 0.000 0.617 1112 A CB -0.957 18.083 19.000 0.066 0.000 0.827 1112 A HN 0.216 nan 8.150 nan 0.000 0.443 1113 V N 0.183 120.137 119.914 0.068 0.000 2.343 1113 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 1113 V C 2.564 178.708 176.094 0.084 0.000 1.051 1113 V CA 1.858 64.206 62.300 0.080 0.000 1.036 1113 V CB -0.766 31.105 31.823 0.080 0.000 0.654 1113 V HN 0.560 nan 8.190 nan 0.000 0.451 1114 L N -0.164 121.099 121.223 0.067 0.000 2.081 1114 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 1114 L C 2.600 179.517 176.870 0.078 0.000 1.080 1114 L CA 2.074 56.952 54.840 0.063 0.000 0.754 1114 L CB -0.554 41.532 42.059 0.045 0.000 0.893 1114 L HN 0.364 nan 8.230 nan 0.000 0.433 1115 K N 0.622 121.075 120.400 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 1.261 57.598 56.287 0.083 0.000 0.935 1115 K CB -0.059 32.490 32.500 0.081 0.000 0.715 1115 K HN 0.255 nan 8.250 nan 0.000 0.439 1116 I N 0.827 121.447 120.570 0.082 0.000 2.361 1116 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 1116 I C 1.863 178.034 176.117 0.091 0.000 1.133 1116 I CA 1.114 62.464 61.300 0.085 0.000 1.413 1116 I CB 0.054 38.109 38.000 0.091 0.000 1.073 1116 I HN 0.256 nan 8.210 nan 0.000 0.424 1117 I N 0.864 121.492 120.570 0.097 0.000 2.252 1117 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 1117 I C 1.930 178.092 176.117 0.075 0.000 1.102 1117 I CA 1.345 62.706 61.300 0.101 0.000 1.385 1117 I CB -0.520 37.537 38.000 0.095 0.000 1.064 1117 I HN 0.262 nan 8.210 nan 0.000 0.414 1118 D N 0.414 120.854 120.400 0.067 0.000 2.178 1118 D HA -0.214 4.426 4.640 -0.000 0.000 0.202 1118 D C 1.952 178.297 176.300 0.074 0.000 0.974 1118 D CA 1.004 55.041 54.000 0.063 0.000 0.841 1118 D CB -0.166 40.672 40.800 0.063 0.000 0.953 1118 D HN 0.435 nan 8.370 nan 0.000 0.478 1119 E N 0.183 120.428 120.200 0.076 0.000 2.150 1119 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1119 E C 2.090 178.739 176.600 0.082 0.000 0.985 1119 E CA 0.286 56.734 56.400 0.080 0.000 0.814 1119 E CB 0.081 29.828 29.700 0.079 0.000 0.752 1119 E HN 0.100 nan 8.360 nan 0.000 0.466 1120 L N 1.267 122.531 121.223 0.069 0.000 2.044 1120 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 1120 L C 1.870 178.775 176.870 0.059 0.000 1.075 1120 L CA 1.826 56.691 54.840 0.043 0.000 0.747 1120 L CB -0.353 41.724 42.059 0.030 0.000 0.903 1120 L HN 0.029 nan 8.230 nan 0.000 0.435 1121 E N -0.280 119.965 120.200 0.076 0.000 2.160 1121 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 1121 E C 2.277 178.990 176.600 0.189 0.000 0.991 1121 E CA 1.569 58.050 56.400 0.136 0.000 0.810 1121 E CB -0.206 29.534 29.700 0.067 0.000 0.742 1121 E HN 0.594 nan 8.360 nan 0.000 0.466 1122 I N 0.919 121.570 120.570 0.136 0.000 2.252 1122 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 1122 I C 2.218 178.405 176.117 0.116 0.000 1.102 1122 I CA 0.852 62.228 61.300 0.126 0.000 1.385 1122 I CB -0.075 37.986 38.000 0.101 0.000 1.064 1122 I HN 0.030 nan 8.210 nan 0.000 0.414 1123 K N 0.449 120.917 120.400 0.112 0.000 2.002 1123 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 1123 K C 2.154 178.812 176.600 0.098 0.000 1.048 1123 K CA 2.217 58.575 56.287 0.118 0.000 0.930 1123 K CB -1.194 31.391 32.500 0.142 0.000 0.714 1123 K HN 0.449 nan 8.250 nan 0.000 0.438 1124 T N 0.789 115.386 114.554 0.072 0.000 2.684 1124 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 1124 T C 2.046 176.759 174.700 0.021 0.000 1.036 1124 T CA 1.214 63.327 62.100 0.023 0.000 1.148 1124 T CB -0.561 68.324 68.868 0.029 0.000 0.863 1124 T HN 0.046 nan 8.240 nan 0.000 0.436 1125 L N 1.920 123.192 121.223 0.082 0.000 2.187 1125 L HA 0.232 4.572 4.340 -0.000 0.000 0.213 1125 L C 1.415 178.341 176.870 0.092 0.000 1.100 1125 L CA 1.600 56.468 54.840 0.046 0.000 0.765 1125 L CB -1.323 40.795 42.059 0.098 0.000 0.904 1125 L HN 0.928 nan 8.230 nan 0.000 0.437 1126 G N -2.171 106.689 108.800 0.100 0.000 2.741 1126 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.222 1126 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.222 1126 G C 0.609 175.574 174.900 0.108 0.000 1.364 1126 G CA 0.352 45.521 45.100 0.115 0.000 0.866 1126 G HN 0.568 nan 8.290 nan 0.000 0.555 1127 S N -0.442 115.316 115.700 0.096 0.000 2.325 1127 S HA 0.421 4.891 4.470 -0.000 0.000 0.213 1127 S C 2.338 176.979 174.600 0.067 0.000 1.031 1127 S CA 1.770 60.011 58.200 0.069 0.000 0.984 1127 S CB -0.688 62.541 63.200 0.048 0.000 0.939 1127 S HN 2.929 nan 8.310 nan 0.000 0.438 1128 G N 1.123 109.971 108.800 0.080 0.000 2.715 1128 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.221 1128 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.221 1128 G C -0.052 174.858 174.900 0.016 0.000 1.204 1128 G CA 0.135 45.254 45.100 0.032 0.000 1.063 1128 G HN 0.439 nan 8.290 nan 0.000 0.586 1129 E N -0.616 119.578 120.200 -0.010 0.000 2.534 1129 E HA 0.175 4.525 4.350 -0.000 0.000 0.179 1129 E C -0.049 176.546 176.600 -0.008 0.000 0.916 1129 E CA 0.232 56.630 56.400 -0.004 0.000 1.354 1129 E CB 0.979 30.672 29.700 -0.011 0.000 1.321 1129 E HN 0.434 nan 8.360 nan 0.000 0.663 1130 K N 1.716 122.108 120.400 -0.013 0.000 2.376 1130 K HA 0.465 4.785 4.320 -0.000 0.000 0.257 1130 K C -1.061 175.538 176.600 -0.001 0.000 0.939 1130 K CA -0.478 55.803 56.287 -0.010 0.000 0.809 1130 K CB 1.573 34.063 32.500 -0.017 0.000 1.121 1130 K HN 0.001 nan 8.250 nan 0.000 0.425 1131 S N 1.956 117.658 115.700 0.003 0.000 2.513 1131 S HA 0.663 5.133 4.470 -0.000 0.000 0.299 1131 S C 0.066 174.672 174.600 0.010 0.000 1.087 1131 S CA -0.872 57.333 58.200 0.008 0.000 1.012 1131 S CB 1.553 64.758 63.200 0.009 0.000 1.044 1131 S HN 0.749 nan 8.310 nan 0.000 0.485 1132 G N 1.392 110.201 108.800 0.015 0.000 2.343 1132 G HA2 0.342 4.302 3.960 -0.000 0.000 0.254 1132 G HA3 0.342 4.302 3.960 -0.000 0.000 0.254 1132 G C 1.075 175.984 174.900 0.015 0.000 1.277 1132 G CA -0.111 44.999 45.100 0.017 0.000 0.909 1132 G HN 1.490 nan 8.290 nan 0.000 0.502 1133 S N 1.581 117.289 115.700 0.013 0.000 2.462 1133 S HA -0.230 4.240 4.470 -0.000 0.000 0.255 1133 S C 2.186 176.792 174.600 0.010 0.000 1.058 1133 S CA 1.695 59.901 58.200 0.010 0.000 1.019 1133 S CB -0.416 62.790 63.200 0.010 0.000 0.801 1133 S HN 0.993 nan 8.310 nan 0.000 0.491 1134 G N 0.397 109.205 108.800 0.012 0.000 2.813 1134 G HA2 0.460 4.420 3.960 -0.000 0.000 0.209 1134 G HA3 0.460 4.420 3.960 -0.000 0.000 0.209 1134 G C 0.947 175.851 174.900 0.007 0.000 1.150 1134 G CA 0.140 45.246 45.100 0.011 0.000 0.785 1134 G HN 1.332 nan 8.290 nan 0.000 0.535 1135 G N -0.469 108.335 108.800 0.008 0.000 2.496 1135 G HA2 0.241 4.201 3.960 -0.000 0.000 0.243 1135 G HA3 0.241 4.201 3.960 -0.000 0.000 0.243 1135 G C 0.481 175.385 174.900 0.007 0.000 1.176 1135 G CA 0.344 45.447 45.100 0.005 0.000 0.940 1135 G HN 1.380 nan 8.290 nan 0.000 0.573 1136 A N 0.541 123.362 122.820 0.002 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.516 177.060 177.584 -0.012 0.000 0.964 1136 A CA 0.826 52.864 52.037 0.002 0.000 1.045 1136 A CB 0.548 19.550 19.000 0.004 0.000 1.174 1136 A HN 0.673 nan 8.150 nan 0.000 0.493 1137 P HA -0.059 nan 4.420 nan 0.000 0.234 1137 P C 0.655 177.924 177.300 -0.052 0.000 1.167 1137 P CA 0.989 64.067 63.100 -0.037 0.000 0.763 1137 P CB -0.249 31.430 31.700 -0.035 0.000 0.835 1138 T N 0.893 115.430 114.554 -0.028 0.000 2.779 1138 T HA 0.220 4.569 4.350 -0.000 0.000 0.296 1138 T C -1.653 173.033 174.700 -0.023 0.000 0.938 1138 T CA -1.690 60.398 62.100 -0.020 0.000 1.119 1138 T CB 0.358 69.243 68.868 0.028 0.000 0.891 1138 T HN -0.118 nan 8.240 nan 0.000 0.526 1139 P HA -0.082 nan 4.420 nan 0.000 0.224 1139 P C 0.111 177.381 177.300 -0.051 0.000 0.880 1139 P CA 0.851 63.918 63.100 -0.056 0.000 1.070 1139 P CB 0.179 31.855 31.700 -0.040 0.000 0.652 1140 I N -2.252 118.305 120.570 -0.021 0.000 2.545 1140 I HA 0.522 4.691 4.170 -0.000 0.000 0.292 1140 I C 0.623 176.818 176.117 0.130 0.000 1.040 1140 I CA -1.020 60.280 61.300 -0.000 0.000 1.068 1140 I CB 1.789 39.725 38.000 -0.106 0.000 1.251 1140 I HN 0.120 nan 8.210 nan 0.000 0.424 1141 G N 5.332 114.221 108.800 0.147 0.000 2.527 1141 G HA2 0.074 4.033 3.960 -0.000 0.000 0.279 1141 G HA3 0.074 4.033 3.960 -0.000 0.000 0.279 1141 G C 0.475 175.484 174.900 0.182 0.000 1.374 1141 G CA -0.170 45.038 45.100 0.181 0.000 1.053 1141 G HN 0.804 nan 8.290 nan 0.000 0.539 1142 M N -1.757 117.845 119.600 0.003 0.000 2.453 1142 M HA 0.434 4.914 4.480 -0.000 0.000 0.239 1142 M C -0.183 175.908 176.300 -0.349 0.000 1.151 1142 M CA 0.323 55.496 55.300 -0.211 0.000 0.989 1142 M CB 0.345 32.697 32.600 -0.414 0.000 1.548 1142 M HN 0.339 nan 8.290 nan 0.000 0.479 1143 Y N 0.301 120.656 120.300 0.092 0.000 2.751 1143 Y HA 0.604 5.154 4.550 -0.000 0.000 0.289 1143 Y C 1.874 177.869 175.900 0.158 0.000 1.110 1143 Y CA -0.330 57.825 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 0.427 nan 8.280 nan 0.000 0.540 1144 A N 0.045 123.031 122.820 0.277 0.000 1.883 1144 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 1144 A C 2.077 179.871 177.584 0.350 0.000 1.186 1144 A CA 1.600 53.840 52.037 0.338 0.000 0.624 1144 A CB -0.588 18.583 19.000 0.284 0.000 0.822 1144 A HN 0.476 nan 8.150 nan 0.000 0.444 1145 L N -0.359 121.017 121.223 0.255 0.000 1.990 1145 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 1145 L C 2.567 179.568 176.870 0.218 0.000 1.072 1145 L CA 2.552 57.529 54.840 0.227 0.000 0.755 1145 L CB -0.754 41.401 42.059 0.160 0.000 0.889 1145 L HN 0.508 nan 8.230 nan 0.000 0.432 1146 R N 0.066 120.692 120.500 0.210 0.000 2.080 1146 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 1146 R C 2.161 178.549 176.300 0.145 0.000 1.137 1146 R CA 2.014 58.212 56.100 0.163 0.000 0.943 1146 R CB -0.502 29.908 30.300 0.184 0.000 0.846 1146 R HN 0.526 nan 8.270 nan 0.000 0.431 1147 E N -1.204 119.132 120.200 0.226 0.000 2.110 1147 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 1147 E C 1.701 178.401 176.600 0.168 0.000 0.988 1147 E CA 1.269 57.818 56.400 0.247 0.000 0.804 1147 E CB -0.330 29.599 29.700 0.383 0.000 0.745 1147 E HN 0.376 nan 8.360 nan 0.000 0.458 1148 Y N 1.600 121.850 120.300 -0.084 0.000 2.089 1148 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 1148 Y C 1.914 177.592 175.900 -0.369 0.000 1.139 1148 Y CA 1.400 59.108 58.100 -0.654 0.000 1.123 1148 Y CB -0.440 37.701 38.460 -0.532 0.000 0.980 1148 Y HN -0.074 nan 8.280 nan 0.000 0.493 1149 L N -0.742 120.285 121.223 -0.326 0.000 2.079 1149 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 1149 L C 2.771 179.491 176.870 -0.251 0.000 1.081 1149 L CA 1.707 56.332 54.840 -0.358 0.000 0.752 1149 L CB -0.852 41.123 42.059 -0.140 0.000 0.896 1149 L HN 0.258 nan 8.230 nan 0.000 0.433 1150 S N -0.463 115.152 115.700 -0.142 0.000 2.402 1150 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 1150 S C 2.063 176.602 174.600 -0.101 0.000 1.021 1150 S CA 1.069 59.218 58.200 -0.085 0.000 0.974 1150 S CB 0.046 63.235 63.200 -0.018 0.000 0.800 1150 S HN 0.435 nan 8.310 nan 0.000 0.484 1151 A N 1.487 124.222 122.820 -0.142 0.000 1.872 1151 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 1151 A C 2.206 179.691 177.584 -0.165 0.000 1.187 1151 A CA 1.227 53.198 52.037 -0.110 0.000 0.614 1151 A CB -0.652 18.300 19.000 -0.078 0.000 0.826 1151 A HN 0.552 nan 8.150 nan 0.000 0.442 1152 R N -0.439 119.873 120.500 -0.314 0.000 2.075 1152 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 1152 R C 2.543 178.728 176.300 -0.190 0.000 1.126 1152 R CA 1.534 57.459 56.100 -0.292 0.000 0.963 1152 R CB -0.299 29.694 30.300 -0.513 0.000 0.858 1152 R HN 0.528 nan 8.270 nan 0.000 0.435 1153 S N -0.541 115.045 115.700 -0.190 0.000 2.365 1153 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 1153 S C 1.709 176.261 174.600 -0.080 0.000 1.039 1153 S CA 2.119 60.246 58.200 -0.121 0.000 1.033 1153 S CB -0.357 62.778 63.200 -0.107 0.000 0.887 1153 S HN 0.474 nan 8.310 nan 0.000 0.447 1154 T N 1.292 115.803 114.554 -0.072 0.000 2.833 1154 T HA -0.034 4.315 4.350 -0.000 0.000 0.269 1154 T C 1.723 176.399 174.700 -0.039 0.000 1.054 1154 T CA 1.472 63.545 62.100 -0.046 0.000 1.135 1154 T CB -0.275 68.572 68.868 -0.034 0.000 0.869 1154 T HN 0.319 nan 8.240 nan 0.000 0.466 1155 V N 1.060 120.945 119.914 -0.048 0.000 2.788 1155 V HA 0.014 4.134 4.120 -0.000 0.000 0.251 1155 V C 2.182 178.257 176.094 -0.031 0.000 1.068 1155 V CA 1.041 63.320 62.300 -0.036 0.000 1.090 1155 V CB -0.412 31.389 31.823 -0.037 0.000 0.710 1155 V HN 0.508 nan 8.190 nan 0.000 0.467 1156 E N -0.138 120.037 120.200 -0.042 0.000 2.418 1156 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 1156 E C 1.488 178.073 176.600 -0.026 0.000 1.026 1156 E CA 0.646 57.026 56.400 -0.033 0.000 0.862 1156 E CB 0.039 29.711 29.700 -0.047 0.000 0.799 1156 E HN 0.571 nan 8.360 nan 0.000 0.518 1157 D N 0.486 120.869 120.400 -0.027 0.000 2.240 1157 D HA -0.023 4.617 4.640 -0.000 0.000 0.206 1157 D C 1.578 177.869 176.300 -0.015 0.000 0.963 1157 D CA 0.715 54.702 54.000 -0.021 0.000 0.863 1157 D CB 0.332 41.119 40.800 -0.022 0.000 0.973 1157 D HN 0.099 nan 8.370 nan 0.000 0.501 1158 K N 0.533 120.924 120.400 -0.015 0.000 2.005 1158 K HA 0.051 4.371 4.320 -0.000 0.000 0.206 1158 K C 2.356 178.952 176.600 -0.007 0.000 1.044 1158 K CA 0.463 56.744 56.287 -0.010 0.000 0.942 1158 K CB -0.127 32.367 32.500 -0.010 0.000 0.727 1158 K HN 0.036 nan 8.250 nan 0.000 0.439 1159 L N 1.092 122.312 121.223 -0.005 0.000 2.127 1159 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 1159 L C 1.170 178.039 176.870 -0.002 0.000 1.089 1159 L CA 0.828 55.668 54.840 0.000 0.000 0.757 1159 L CB -0.199 41.863 42.059 0.006 0.000 0.899 1159 L HN 0.181 nan 8.230 nan 0.000 0.434 1160 L N 0.459 121.678 121.223 -0.006 0.000 2.589 1160 L HA 0.299 4.639 4.340 -0.000 0.000 0.244 1160 L C 1.117 177.983 176.870 -0.007 0.000 1.159 1160 L CA -0.404 54.432 54.840 -0.006 0.000 1.074 1160 L CB -0.076 41.978 42.059 -0.008 0.000 1.391 1160 L HN 0.285 nan 8.230 nan 0.000 0.423 1161 G N 1.165 109.962 108.800 -0.005 0.000 2.627 1161 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.312 1161 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.312 1161 G C 0.153 175.049 174.900 -0.007 0.000 1.299 1161 G CA 0.484 45.581 45.100 -0.006 0.000 0.989 1161 G HN 0.413 nan 8.290 nan 0.000 0.547 1162 V N -1.880 118.030 119.914 -0.007 0.000 5.776 1162 V HA 0.304 4.424 4.120 -0.000 0.000 0.307 1162 V C -0.763 175.327 176.094 -0.006 0.000 1.671 1162 V CA 0.625 62.920 62.300 -0.007 0.000 0.825 1162 V CB 0.200 32.019 31.823 -0.006 0.000 1.458 1162 V HN 0.884 nan 8.190 nan 0.000 0.430 1163 D N 1.974 122.371 120.400 -0.006 0.000 2.950 1163 D HA 0.463 5.103 4.640 -0.000 0.000 0.265 1163 D C 0.126 176.422 176.300 -0.005 0.000 1.405 1163 D CA 1.803 55.800 54.000 -0.005 0.000 0.998 1163 D CB 0.012 40.809 40.800 -0.005 0.000 1.154 1163 D HN 1.123 nan 8.370 nan 0.000 0.586 1164 A N 3.038 125.855 122.820 -0.006 0.000 2.811 1164 A HA 0.439 4.759 4.320 -0.000 0.000 0.269 1164 A C -1.487 176.094 177.584 -0.006 0.000 1.011 1164 A CA -0.891 51.142 52.037 -0.005 0.000 0.540 1164 A CB 0.441 19.438 19.000 -0.005 0.000 1.626 1164 A HN 0.311 nan 8.150 nan 0.000 0.777 1165 E N -0.123 120.073 120.200 -0.006 0.000 2.647 1165 E HA 0.492 4.842 4.350 -0.000 0.000 0.320 1165 E C -0.892 175.704 176.600 -0.007 0.000 0.951 1165 E CA -0.214 56.182 56.400 -0.007 0.000 0.809 1165 E CB 1.361 31.057 29.700 -0.006 0.000 1.295 1165 E HN 1.115 nan 8.360 nan 0.000 0.407 1166 S N 2.012 117.707 115.700 -0.008 0.000 4.588 1166 S HA 0.072 4.542 4.470 -0.000 0.000 0.498 1166 S C 0.647 175.243 174.600 -0.007 0.000 0.720 1166 S CA 0.962 59.157 58.200 -0.008 0.000 1.257 1166 S CB -0.559 62.635 63.200 -0.010 0.000 1.968 1166 S HN 0.921 nan 8.310 nan 0.000 0.362 1167 G N 3.030 111.827 108.800 -0.006 0.000 2.401 1167 G HA2 0.371 4.331 3.960 -0.000 0.000 0.068 1167 G HA3 0.371 4.331 3.960 -0.000 0.000 0.068 1167 G C -1.771 173.127 174.900 -0.004 0.000 0.911 1167 G CA -0.515 44.582 45.100 -0.006 0.000 1.242 1167 G HN 0.684 nan 8.290 nan 0.000 0.504 1168 K N -0.020 120.377 120.400 -0.004 0.000 2.535 1168 K HA 0.773 5.093 4.320 -0.000 0.000 0.251 1168 K C -1.479 175.119 176.600 -0.003 0.000 0.942 1168 K CA -0.700 55.585 56.287 -0.003 0.000 0.798 1168 K CB 2.337 34.835 32.500 -0.003 0.000 1.267 1168 K HN 0.567 nan 8.250 nan 0.000 0.434 1169 T N 0.648 115.200 114.554 -0.003 0.000 2.677 1169 T HA 0.142 4.492 4.350 -0.000 0.000 0.305 1169 T C 0.178 174.877 174.700 -0.003 0.000 1.569 1169 T CA -0.888 61.210 62.100 -0.003 0.000 0.984 1169 T CB 1.610 70.476 68.868 -0.004 0.000 1.629 1169 T HN 0.599 nan 8.240 nan 0.000 0.494 1170 K N 0.869 121.267 120.400 -0.003 0.000 2.097 1170 K HA 0.148 4.468 4.320 -0.000 0.000 0.205 1170 K C 1.143 177.741 176.600 -0.003 0.000 1.050 1170 K CA 1.148 57.434 56.287 -0.003 0.000 0.938 1170 K CB -0.538 31.960 32.500 -0.003 0.000 0.718 1170 K HN 0.663 nan 8.250 nan 0.000 0.442 1171 G N 0.220 109.018 108.800 -0.004 0.000 2.530 1171 G HA2 0.425 4.385 3.960 -0.000 0.000 0.313 1171 G HA3 0.425 4.385 3.960 -0.000 0.000 0.313 1171 G C 0.201 175.098 174.900 -0.004 0.000 0.971 1171 G CA -0.238 44.860 45.100 -0.004 0.000 1.237 1171 G HN 0.359 nan 8.290 nan 0.000 0.446 1172 G N 0.914 109.712 108.800 -0.003 0.000 2.582 1172 G HA2 0.778 4.738 3.960 -0.000 0.000 0.232 1172 G HA3 0.778 4.738 3.960 -0.000 0.000 0.232 1172 G C 0.295 175.193 174.900 -0.003 0.000 1.458 1172 G CA -0.170 44.928 45.100 -0.003 0.000 1.062 1172 G HN 1.108 nan 8.290 nan 0.000 0.566 1173 G N -1.973 106.826 108.800 -0.002 0.000 2.554 1173 G HA2 0.473 4.433 3.960 -0.000 0.000 0.306 1173 G HA3 0.473 4.433 3.960 -0.000 0.000 0.306 1173 G C -0.919 173.980 174.900 -0.001 0.000 1.320 1173 G CA 0.419 45.518 45.100 -0.002 0.000 0.800 1173 G HN 0.935 nan 8.290 nan 0.000 0.481 1174 S N -1.042 114.658 115.700 -0.001 0.000 2.601 1174 S HA 0.339 4.809 4.470 -0.000 0.000 0.271 1174 S C 0.759 175.360 174.600 0.001 0.000 1.305 1174 S CA -0.247 57.953 58.200 -0.001 0.000 1.022 1174 S CB 1.278 64.478 63.200 -0.001 0.000 0.940 1174 S HN 0.445 nan 8.310 nan 0.000 0.525 1175 Q N 1.730 121.531 119.800 0.001 0.000 2.408 1175 Q HA 0.118 4.458 4.340 -0.000 0.000 0.205 1175 Q C 0.621 176.622 176.000 0.003 0.000 0.919 1175 Q CA 0.100 55.905 55.803 0.002 0.000 0.932 1175 Q CB -0.303 28.436 28.738 0.002 0.000 1.058 1175 Q HN 0.679 nan 8.270 nan 0.000 0.517 1176 S N 3.977 119.678 115.700 0.001 0.000 3.106 1176 S HA -0.030 4.440 4.470 -0.000 0.000 0.363 1176 S C -1.187 173.414 174.600 0.002 0.000 1.191 1176 S CA -0.825 57.375 58.200 0.001 0.000 1.191 1176 S CB 0.508 63.707 63.200 -0.001 0.000 0.884 1176 S HN 0.112 nan 8.310 nan 0.000 0.526 1177 P HA -0.063 nan 4.420 nan 0.000 0.219 1177 P C 1.201 178.500 177.300 -0.001 0.000 1.146 1177 P CA 0.890 63.992 63.100 0.003 0.000 0.808 1177 P CB 0.017 31.719 31.700 0.003 0.000 0.779 1178 S N -0.067 115.630 115.700 -0.004 0.000 2.406 1178 S HA -0.063 4.406 4.470 -0.000 0.000 0.228 1178 S C 1.829 176.422 174.600 -0.012 0.000 1.020 1178 S CA 0.478 58.673 58.200 -0.009 0.000 0.965 1178 S CB -0.968 62.228 63.200 -0.007 0.000 0.798 1178 S HN 0.081 nan 8.310 nan 0.000 0.488 1179 L N 1.451 122.670 121.223 -0.008 0.000 2.191 1179 L HA 0.047 4.387 4.340 -0.000 0.000 0.212 1179 L C 1.872 178.736 176.870 -0.010 0.000 1.103 1179 L CA 1.184 56.019 54.840 -0.009 0.000 0.769 1179 L CB -0.430 41.627 42.059 -0.004 0.000 0.908 1179 L HN 0.267 nan 8.230 nan 0.000 0.438 1180 L N -1.284 119.937 121.223 -0.004 0.000 2.131 1180 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 1180 L C 2.124 178.977 176.870 -0.030 0.000 1.087 1180 L CA 1.586 56.430 54.840 0.007 0.000 0.767 1180 L CB -0.419 41.656 42.059 0.028 0.000 0.917 1180 L HN 0.231 nan 8.230 nan 0.000 0.441 1181 L N -0.579 120.618 121.223 -0.044 0.000 2.201 1181 L HA -0.149 4.190 4.340 -0.000 0.000 0.212 1181 L C 2.463 179.261 176.870 -0.120 0.000 1.105 1181 L CA 1.208 55.995 54.840 -0.089 0.000 0.775 1181 L CB -0.430 41.597 42.059 -0.054 0.000 0.913 1181 L HN 0.429 nan 8.230 nan 0.000 0.440 1182 E N 0.457 120.612 120.200 -0.075 0.000 2.152 1182 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 1182 E C 2.158 178.708 176.600 -0.082 0.000 0.983 1182 E CA 0.640 57.004 56.400 -0.060 0.000 0.818 1182 E CB 0.112 29.795 29.700 -0.028 0.000 0.758 1182 E HN 0.311 nan 8.360 nan 0.000 0.467 1183 L N 1.112 122.276 121.223 -0.098 0.000 2.201 1183 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 1183 L C 2.333 179.054 176.870 -0.248 0.000 1.105 1183 L CA 1.572 56.357 54.840 -0.092 0.000 0.775 1183 L CB -0.267 41.789 42.059 -0.005 0.000 0.913 1183 L HN -0.016 nan 8.230 nan 0.000 0.440 1184 R N -1.363 118.836 120.500 -0.503 0.000 2.093 1184 R HA -0.148 4.192 4.340 -0.000 0.000 0.224 1184 R C 2.253 178.313 176.300 -0.401 0.000 1.101 1184 R CA 1.130 56.678 56.100 -0.920 0.000 0.979 1184 R CB -0.106 29.633 30.300 -0.936 0.000 0.877 1184 R HN 0.353 nan 8.270 nan 0.000 0.441 1185 Q N 0.747 120.420 119.800 -0.212 0.000 2.123 1185 Q HA 0.027 4.367 4.340 -0.000 0.000 0.199 1185 Q C 1.852 177.862 176.000 0.015 0.000 0.966 1185 Q CA 1.383 57.135 55.803 -0.085 0.000 0.845 1185 Q CB -0.027 28.685 28.738 -0.044 0.000 0.907 1185 Q HN 0.423 nan 8.270 nan 0.000 0.439 1186 I N 0.725 121.318 120.570 0.039 0.000 2.423 1186 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 1186 I C 1.085 177.348 176.117 0.244 0.000 1.151 1186 I CA 1.174 62.573 61.300 0.165 0.000 1.421 1186 I CB -0.212 37.833 38.000 0.075 0.000 1.079 1186 I HN 0.204 nan 8.210 nan 0.000 0.431 1187 D N 0.776 121.260 120.400 0.140 0.000 2.213 1187 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 1187 D C 2.240 178.590 176.300 0.082 0.000 0.961 1187 D CA 1.193 55.291 54.000 0.162 0.000 0.853 1187 D CB 0.102 41.002 40.800 0.165 0.000 0.967 1187 D HN 0.303 nan 8.370 nan 0.000 0.496 1188 A N 1.216 124.044 122.820 0.014 0.000 1.897 1188 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 1188 A C 1.843 179.505 177.584 0.131 0.000 1.181 1188 A CA 1.269 53.271 52.037 -0.060 0.000 0.620 1188 A CB -0.220 18.660 19.000 -0.201 0.000 0.821 1188 A HN -0.030 nan 8.150 nan 0.000 0.443 1189 D N -0.399 120.090 120.400 0.148 0.000 2.078 1189 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 1189 D C 1.441 177.802 176.300 0.101 0.000 0.990 1189 D CA 1.173 55.256 54.000 0.138 0.000 0.827 1189 D CB -0.597 40.279 40.800 0.128 0.000 0.975 1189 D HN 0.384 nan 8.370 nan 0.000 0.451 1190 F N 0.239 120.177 119.950 -0.019 0.000 2.481 1190 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 1190 F C 2.215 177.924 175.800 -0.151 0.000 1.095 1190 F CA 0.646 58.582 58.000 -0.106 0.000 1.465 1190 F CB -0.078 38.794 39.000 -0.213 0.000 1.098 1190 F HN -0.028 nan 8.300 nan 0.000 0.585 1191 M N -1.801 117.842 119.600 0.073 0.000 2.534 1191 M HA 0.064 4.544 4.480 -0.000 0.000 0.263 1191 M C 2.060 178.364 176.300 0.006 0.000 1.152 1191 M CA 0.687 56.007 55.300 0.034 0.000 1.145 1191 M CB -0.786 31.877 32.600 0.105 0.000 1.333 1191 M HN 0.221 nan 8.290 nan 0.000 0.477 1192 L N 0.843 122.088 121.223 0.036 0.000 2.131 1192 L HA -0.038 4.302 4.340 -0.000 0.000 0.206 1192 L C 1.964 178.750 176.870 -0.140 0.000 1.087 1192 L CA 1.837 56.620 54.840 -0.096 0.000 0.767 1192 L CB -0.506 41.506 42.059 -0.079 0.000 0.917 1192 L HN 0.126 nan 8.230 nan 0.000 0.441 1193 K N -1.078 119.223 120.400 -0.165 0.000 2.280 1193 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 1193 K C 1.766 178.207 176.600 -0.265 0.000 1.047 1193 K CA 1.218 57.368 56.287 -0.228 0.000 0.942 1193 K CB -0.077 32.217 32.500 -0.344 0.000 0.739 1193 K HN 0.281 nan 8.250 nan 0.000 0.457 1194 V N 0.924 120.669 119.914 -0.283 0.000 2.878 1194 V HA -0.101 4.019 4.120 -0.000 0.000 0.250 1194 V C 1.971 177.918 176.094 -0.245 0.000 1.075 1194 V CA 1.181 63.239 62.300 -0.403 0.000 1.096 1194 V CB -0.174 31.416 31.823 -0.387 0.000 0.724 1194 V HN 0.260 nan 8.190 nan 0.000 0.467 1195 E N 0.546 120.647 120.200 -0.165 0.000 2.015 1195 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 1195 E C 2.258 178.805 176.600 -0.088 0.000 0.991 1195 E CA 1.392 57.724 56.400 -0.114 0.000 0.802 1195 E CB -0.155 29.471 29.700 -0.123 0.000 0.759 1195 E HN 0.479 nan 8.360 nan 0.000 0.447 1196 L N 0.629 121.794 121.223 -0.097 0.000 1.970 1196 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 1196 L C 2.726 179.588 176.870 -0.014 0.000 1.071 1196 L CA 1.224 56.029 54.840 -0.058 0.000 0.751 1196 L CB -0.785 41.227 42.059 -0.078 0.000 0.889 1196 L HN 0.137 nan 8.230 nan 0.000 0.432 1197 A N 0.468 123.262 122.820 -0.043 0.000 1.958 1197 A HA -0.272 4.048 4.320 -0.000 0.000 0.221 1197 A C 2.415 180.064 177.584 0.108 0.000 1.178 1197 A CA 2.734 54.794 52.037 0.037 0.000 0.642 1197 A CB -1.076 17.910 19.000 -0.022 0.000 0.816 1197 A HN 0.616 nan 8.150 nan 0.000 0.453 1198 T N -4.364 110.222 114.554 0.053 0.000 2.978 1198 T HA -0.044 4.306 4.350 -0.000 0.000 0.262 1198 T C 1.770 176.488 174.700 0.031 0.000 1.063 1198 T CA 1.652 63.796 62.100 0.073 0.000 1.140 1198 T CB -0.687 68.213 68.868 0.054 0.000 0.886 1198 T HN 0.311 nan 8.240 nan 0.000 0.470 1199 T N 1.119 115.689 114.554 0.026 0.000 2.708 1199 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 1199 T C 1.754 176.480 174.700 0.044 0.000 1.037 1199 T CA 1.796 63.909 62.100 0.022 0.000 1.146 1199 T CB -0.546 68.333 68.868 0.018 0.000 0.865 1199 T HN 0.680 nan 8.240 nan 0.000 0.435 1200 H N 0.703 119.764 119.070 -0.015 0.000 2.389 1200 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 1200 H C 1.945 177.266 175.328 -0.011 0.000 1.081 1200 H CA 0.898 56.940 56.048 -0.010 0.000 1.345 1200 H CB -0.527 29.231 29.762 -0.007 0.000 1.393 1200 H HN 0.148 nan 8.280 nan 0.000 0.520 1201 L N 0.020 121.188 121.223 -0.093 0.000 2.265 1201 L HA -0.088 4.251 4.340 -0.000 0.000 0.215 1201 L C 2.074 178.835 176.870 -0.181 0.000 1.117 1201 L CA 1.353 56.097 54.840 -0.161 0.000 0.782 1201 L CB -0.623 41.408 42.059 -0.046 0.000 0.914 1201 L HN 0.238 nan 8.230 nan 0.000 0.441 1202 S N -1.374 114.252 115.700 -0.124 0.000 2.335 1202 S HA -0.148 4.322 4.470 -0.000 0.000 0.217 1202 S C 1.782 176.315 174.600 -0.111 0.000 1.032 1202 S CA 1.602 59.742 58.200 -0.100 0.000 0.985 1202 S CB -0.506 62.662 63.200 -0.053 0.000 0.896 1202 S HN 0.531 nan 8.310 nan 0.000 0.445 1203 T N 2.573 117.057 114.554 -0.117 0.000 2.624 1203 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 1203 T C 1.869 176.490 174.700 -0.131 0.000 1.041 1203 T CA 1.866 63.905 62.100 -0.102 0.000 1.159 1203 T CB -0.428 68.389 68.868 -0.086 0.000 0.863 1203 T HN 0.194 nan 8.240 nan 0.000 0.434 1204 M N 1.065 120.511 119.600 -0.256 0.000 2.082 1204 M HA -0.088 4.392 4.480 -0.000 0.000 0.258 1204 M C 2.184 178.420 176.300 -0.107 0.000 1.069 1204 M CA 1.447 56.622 55.300 -0.208 0.000 1.102 1204 M CB -0.777 31.638 32.600 -0.308 0.000 1.336 1204 M HN 0.097 nan 8.290 nan 0.000 0.404 1205 V N 0.279 120.103 119.914 -0.150 0.000 2.343 1205 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 1205 V C 2.412 178.527 176.094 0.034 0.000 1.051 1205 V CA 2.051 64.279 62.300 -0.119 0.000 1.036 1205 V CB -0.808 30.859 31.823 -0.260 0.000 0.654 1205 V HN 0.467 nan 8.190 nan 0.000 0.451 1206 R N 0.052 120.556 120.500 0.007 0.000 2.096 1206 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 1206 R C 2.411 178.755 176.300 0.073 0.000 1.127 1206 R CA 1.443 57.572 56.100 0.048 0.000 0.968 1206 R CB -0.590 29.723 30.300 0.021 0.000 0.861 1206 R HN 0.558 nan 8.270 nan 0.000 0.440 1207 A N 0.872 123.724 122.820 0.053 0.000 1.858 1207 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 1207 A C 2.372 180.025 177.584 0.115 0.000 1.190 1207 A CA 1.452 53.530 52.037 0.070 0.000 0.617 1207 A CB -0.628 18.399 19.000 0.044 0.000 0.827 1207 A HN 0.109 nan 8.150 nan 0.000 0.443 1208 V N 0.489 120.489 119.914 0.143 0.000 2.469 1208 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 1208 V C 2.377 178.616 176.094 0.241 0.000 1.064 1208 V CA 1.954 64.379 62.300 0.209 0.000 1.066 1208 V CB -0.862 31.134 31.823 0.290 0.000 0.667 1208 V HN 0.548 nan 8.190 nan 0.000 0.461 1209 I N 0.698 121.406 120.570 0.231 0.000 2.163 1209 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 1209 I C 2.494 178.740 176.117 0.214 0.000 1.081 1209 I CA 2.170 63.596 61.300 0.211 0.000 1.353 1209 I CB -0.588 37.522 38.000 0.183 0.000 1.054 1209 I HN 0.421 nan 8.210 nan 0.000 0.407 1210 N N 1.515 120.315 118.700 0.167 0.000 2.043 1210 N HA -0.201 4.539 4.740 -0.000 0.000 0.193 1210 N C 1.852 177.456 175.510 0.158 0.000 1.037 1210 N CA 2.011 55.148 53.050 0.145 0.000 0.851 1210 N CB -0.201 38.349 38.487 0.105 0.000 1.027 1210 N HN 0.304 nan 8.380 nan 0.000 0.422 1211 A N -0.992 121.921 122.820 0.155 0.000 1.978 1211 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 1211 A C 2.222 179.909 177.584 0.171 0.000 1.170 1211 A CA 1.558 53.679 52.037 0.140 0.000 0.636 1211 A CB -1.192 17.888 19.000 0.134 0.000 0.810 1211 A HN 0.660 nan 8.150 nan 0.000 0.448 1212 Y N 0.136 120.503 120.300 0.112 0.000 2.176 1212 Y HA -0.003 4.547 4.550 -0.000 0.000 0.291 1212 Y C 1.913 177.932 175.900 0.198 0.000 1.122 1212 Y CA 1.584 59.763 58.100 0.131 0.000 1.128 1212 Y CB -0.253 38.262 38.460 0.092 0.000 1.005 1212 Y HN 0.165 nan 8.280 nan 0.000 0.509 1213 L N 0.076 121.520 121.223 0.369 0.000 2.261 1213 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 1213 L C 2.039 179.086 176.870 0.295 0.000 1.114 1213 L CA 0.996 56.017 54.840 0.301 0.000 0.777 1213 L CB -0.477 41.736 42.059 0.256 0.000 0.910 1213 L HN 0.390 nan 8.230 nan 0.000 0.440 1214 L N -0.977 120.346 121.223 0.167 0.000 2.130 1214 L HA -0.020 4.320 4.340 -0.000 0.000 0.200 1214 L C 1.771 178.622 176.870 -0.031 0.000 1.075 1214 L CA 0.741 55.633 54.840 0.087 0.000 0.768 1214 L CB -0.325 41.767 42.059 0.054 0.000 0.933 1214 L HN 0.293 nan 8.230 nan 0.000 0.451 1215 N N 0.106 118.768 118.700 -0.064 0.000 2.336 1215 N HA -0.090 4.650 4.740 -0.000 0.000 0.189 1215 N C 1.648 176.997 175.510 -0.268 0.000 1.113 1215 N CA 0.337 53.292 53.050 -0.159 0.000 0.858 1215 N CB 0.092 38.526 38.487 -0.089 0.000 0.970 1215 N HN 0.558 nan 8.380 nan 0.000 0.471 1216 W N 2.520 123.583 121.300 -0.394 0.000 2.308 1216 W HA -0.165 4.495 4.660 -0.000 0.000 0.301 1216 W C 1.064 177.420 176.519 -0.271 0.000 1.220 1216 W CA 0.555 57.590 57.345 -0.516 0.000 1.240 1216 W CB -0.798 28.211 29.460 -0.752 0.000 1.142 1216 W HN -0.027 nan 8.180 nan 0.000 0.521 1217 K N 0.663 120.295 120.400 -1.279 0.000 2.032 1217 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 1217 K C 2.152 178.470 176.600 -0.470 0.000 1.048 1217 K CA 1.784 57.420 56.287 -1.083 0.000 0.927 1217 K CB -0.286 31.581 32.500 -1.055 0.000 0.712 1217 K HN -0.085 nan 8.250 nan 0.000 0.441 1218 K N 1.050 121.232 120.400 -0.363 0.000 2.211 1218 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 1218 K C 2.077 178.591 176.600 -0.143 0.000 1.050 1218 K CA 0.837 56.999 56.287 -0.208 0.000 0.945 1218 K CB -0.185 32.215 32.500 -0.166 0.000 0.732 1218 K HN 0.210 nan 8.250 nan 0.000 0.451 1219 L N 0.379 121.518 121.223 -0.139 0.000 2.093 1219 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 1219 L C 2.097 178.949 176.870 -0.030 0.000 1.085 1219 L CA 0.756 55.556 54.840 -0.067 0.000 0.755 1219 L CB -0.299 41.733 42.059 -0.044 0.000 0.904 1219 L HN 0.063 nan 8.230 nan 0.000 0.435 1220 I N -1.216 119.341 120.570 -0.022 0.000 2.494 1220 I HA -0.055 4.115 4.170 -0.000 0.000 0.250 1220 I C 0.981 177.086 176.117 -0.021 0.000 1.112 1220 I CA 0.895 62.205 61.300 0.016 0.000 1.438 1220 I CB -0.437 37.610 38.000 0.078 0.000 1.111 1220 I HN 0.255 nan 8.210 nan 0.000 0.431 1221 Q N 2.066 121.826 119.800 -0.066 0.000 2.706 1221 Q HA 0.239 4.579 4.340 -0.000 0.000 0.250 1221 Q C -1.622 174.331 176.000 -0.078 0.000 1.120 1221 Q CA -1.658 54.104 55.803 -0.068 0.000 0.972 1221 Q CB 1.230 29.915 28.738 -0.087 0.000 1.173 1221 Q HN 0.264 nan 8.270 nan 0.000 0.522 1222 P HA -0.120 nan 4.420 nan 0.000 0.218 1222 P C -0.047 177.223 177.300 -0.050 0.000 1.149 1222 P CA 0.889 63.956 63.100 -0.056 0.000 0.817 1222 P CB 0.730 32.404 31.700 -0.043 0.000 0.785 1223 R N -0.407 120.066 120.500 -0.044 0.000 2.621 1223 R HA 0.428 4.768 4.340 -0.000 0.000 0.292 1223 R C -0.369 175.905 176.300 -0.043 0.000 0.969 1223 R CA -0.400 55.675 56.100 -0.042 0.000 0.887 1223 R CB 1.826 32.105 30.300 -0.035 0.000 1.180 1223 R HN -0.070 nan 8.270 nan 0.000 0.450 1224 T N -0.663 113.864 114.554 -0.044 0.000 3.053 1224 T HA 0.374 4.724 4.350 -0.000 0.000 0.363 1224 T C 0.580 175.254 174.700 -0.044 0.000 1.239 1224 T CA -0.834 61.241 62.100 -0.041 0.000 1.071 1224 T CB 1.169 70.013 68.868 -0.039 0.000 1.089 1224 T HN 0.658 nan 8.240 nan 0.000 0.527 1225 G N 1.993 110.765 108.800 -0.047 0.000 2.414 1225 G HA2 0.424 4.384 3.960 -0.000 0.000 0.236 1225 G HA3 0.424 4.384 3.960 -0.000 0.000 0.236 1225 G C 0.109 174.951 174.900 -0.096 0.000 1.293 1225 G CA -0.254 44.806 45.100 -0.067 0.000 0.869 1225 G HN 1.656 nan 8.290 nan 0.000 0.556 1226 S N 0.382 115.974 115.700 -0.180 0.000 2.465 1226 S HA 0.145 4.615 4.470 -0.000 0.000 0.186 1226 S C -1.431 172.792 174.600 -0.629 0.000 0.839 1226 S CA -0.956 57.001 58.200 -0.406 0.000 1.037 1226 S CB 0.809 63.859 63.200 -0.249 0.000 1.407 1226 S HN 0.401 nan 8.310 nan 0.000 0.396 1227 D N 2.800 122.917 120.400 -0.471 0.000 2.500 1227 D HA 0.337 4.977 4.640 -0.000 0.000 0.219 1227 D C 0.853 176.984 176.300 -0.281 0.000 1.137 1227 D CA -0.398 53.417 54.000 -0.309 0.000 0.946 1227 D CB 0.305 41.017 40.800 -0.147 0.000 1.022 1227 D HN 0.560 nan 8.370 nan 0.000 0.518 1228 H N 1.117 120.180 119.070 -0.012 0.000 2.582 1228 H HA 0.148 4.704 4.556 -0.000 0.000 0.269 1228 H C 1.515 176.837 175.328 -0.010 0.000 0.962 1228 H CA 0.469 56.511 56.048 -0.011 0.000 1.230 1228 H CB 0.342 30.097 29.762 -0.012 0.000 1.445 1228 H HN 0.353 nan 8.280 nan 0.000 0.528 1229 M N 0.601 120.243 119.600 0.070 0.000 2.134 1229 M HA 0.013 4.493 4.480 -0.000 0.000 0.262 1229 M C 0.767 177.077 176.300 0.016 0.000 1.076 1229 M CA 0.605 55.928 55.300 0.039 0.000 1.143 1229 M CB 0.207 32.819 32.600 0.020 0.000 1.346 1229 M HN -0.180 nan 8.290 nan 0.000 0.421 1230 V N 1.548 121.460 119.914 -0.003 0.000 2.775 1230 V HA 0.320 4.440 4.120 -0.000 0.000 0.299 1230 V C 0.253 176.345 176.094 -0.003 0.000 1.062 1230 V CA -0.291 62.004 62.300 -0.008 0.000 1.063 1230 V CB 0.720 32.531 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