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_o 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 0.004 0.000 0.726 1003 P HA 0.052 nan 4.420 nan 0.000 0.230 1003 P C 1.329 178.632 177.300 0.006 0.000 1.168 1003 P CA 0.666 63.770 63.100 0.005 0.000 0.793 1003 P CB 0.960 32.663 31.700 0.005 0.000 0.851 1004 K N 0.553 120.957 120.400 0.007 0.000 2.137 1004 K HA 0.030 4.350 4.320 -0.000 0.000 0.202 1004 K C 2.285 178.890 176.600 0.008 0.000 1.052 1004 K CA 0.421 56.713 56.287 0.007 0.000 0.961 1004 K CB 0.056 32.561 32.500 0.007 0.000 0.741 1004 K HN -0.120 nan 8.250 nan 0.000 0.452 1005 R N 0.063 120.568 120.500 0.007 0.000 2.148 1005 R HA -0.035 4.305 4.340 -0.000 0.000 0.227 1005 R C 2.211 178.516 176.300 0.008 0.000 1.103 1005 R CA 1.124 57.229 56.100 0.008 0.000 0.983 1005 R CB -0.172 30.132 30.300 0.007 0.000 0.874 1005 R HN 0.194 nan 8.270 nan 0.000 0.451 1006 A N 1.074 123.898 122.820 0.008 0.000 1.929 1006 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 1006 A C 2.312 179.902 177.584 0.011 0.000 1.176 1006 A CA 1.324 53.366 52.037 0.009 0.000 0.628 1006 A CB -0.480 18.524 19.000 0.007 0.000 0.816 1006 A HN 0.357 nan 8.150 nan 0.000 0.444 1007 A N 0.222 123.048 122.820 0.011 0.000 1.845 1007 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 1007 A C 2.148 179.741 177.584 0.015 0.000 1.195 1007 A CA 1.530 53.575 52.037 0.013 0.000 0.616 1007 A CB -0.835 18.172 19.000 0.012 0.000 0.832 1007 A HN 0.455 nan 8.150 nan 0.000 0.443 1008 L N -0.468 120.764 121.223 0.014 0.000 1.997 1008 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 1008 L C 2.553 179.434 176.870 0.017 0.000 1.074 1008 L CA 1.823 56.673 54.840 0.016 0.000 0.763 1008 L CB -0.637 41.430 42.059 0.013 0.000 0.890 1008 L HN 0.417 nan 8.230 nan 0.000 0.434 1009 I N -0.888 119.691 120.570 0.015 0.000 2.361 1009 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 1009 I C 2.624 178.754 176.117 0.021 0.000 1.133 1009 I CA 0.900 62.209 61.300 0.015 0.000 1.413 1009 I CB -0.197 37.809 38.000 0.011 0.000 1.073 1009 I HN 0.360 nan 8.210 nan 0.000 0.424 1010 Q N 1.569 121.382 119.800 0.021 0.000 2.016 1010 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 1010 Q C 1.921 177.940 176.000 0.032 0.000 0.978 1010 Q CA 1.782 57.599 55.803 0.024 0.000 0.833 1010 Q CB -0.201 28.549 28.738 0.020 0.000 0.895 1010 Q HN 0.394 nan 8.270 nan 0.000 0.427 1011 N N 0.179 118.898 118.700 0.032 0.000 2.137 1011 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 1011 N C 1.789 177.335 175.510 0.059 0.000 1.017 1011 N CA 1.132 54.206 53.050 0.040 0.000 0.859 1011 N CB -0.378 38.130 38.487 0.035 0.000 1.002 1011 N HN 0.280 nan 8.380 nan 0.000 0.428 1012 L N 0.991 122.247 121.223 0.054 0.000 1.989 1012 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 1012 L C 2.264 179.192 176.870 0.097 0.000 1.071 1012 L CA 1.384 56.263 54.840 0.066 0.000 0.749 1012 L CB -0.164 41.912 42.059 0.028 0.000 0.890 1012 L HN 0.146 nan 8.230 nan 0.000 0.431 1013 R N -0.551 119.991 120.500 0.071 0.000 2.280 1013 R HA -0.091 4.249 4.340 -0.000 0.000 0.207 1013 R C 1.301 177.655 176.300 0.091 0.000 1.043 1013 R CA 0.631 56.781 56.100 0.082 0.000 1.006 1013 R CB -0.105 30.228 30.300 0.054 0.000 0.885 1013 R HN 0.433 nan 8.270 nan 0.000 0.467 1014 D N -0.444 120.003 120.400 0.078 0.000 2.305 1014 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 1014 D C 1.417 177.750 176.300 0.055 0.000 0.974 1014 D CA 0.764 54.798 54.000 0.057 0.000 0.871 1014 D CB 0.330 41.153 40.800 0.038 0.000 0.947 1014 D HN 0.015 nan 8.370 nan 0.000 0.516 1015 S N -0.161 115.601 115.700 0.104 0.000 2.406 1015 S HA -0.074 4.396 4.470 -0.000 0.000 0.228 1015 S C 0.253 174.837 174.600 -0.027 0.000 1.020 1015 S CA 0.585 58.833 58.200 0.079 0.000 0.965 1015 S CB 0.086 63.423 63.200 0.229 0.000 0.798 1015 S HN 0.238 nan 8.310 nan 0.000 0.488 1016 Y N 2.262 122.566 120.300 0.006 0.000 2.787 1016 Y HA 0.323 4.873 4.550 -0.000 0.000 0.352 1016 Y C 0.746 176.655 175.900 0.015 0.000 1.027 1016 Y CA -1.297 56.806 58.100 0.006 0.000 1.219 1016 Y CB 0.015 38.478 38.460 0.004 0.000 1.110 1016 Y HN 0.070 nan 8.280 nan 0.000 0.614 1017 T N -3.213 111.397 114.554 0.094 0.000 2.771 1017 T HA 0.099 4.449 4.350 -0.000 0.000 0.290 1017 T C 1.263 176.019 174.700 0.093 0.000 1.005 1017 T CA -0.510 61.640 62.100 0.082 0.000 0.944 1017 T CB 1.136 70.031 68.868 0.045 0.000 1.147 1017 T HN 0.478 nan 8.240 nan 0.000 0.534 1018 E N 0.034 120.292 120.200 0.097 0.000 2.204 1018 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 1018 E C 1.976 178.633 176.600 0.096 0.000 0.989 1018 E CA 1.229 57.704 56.400 0.124 0.000 0.824 1018 E CB -0.708 29.069 29.700 0.129 0.000 0.756 1018 E HN 0.782 nan 8.360 nan 0.000 0.477 1019 T N 0.385 114.974 114.554 0.058 0.000 2.788 1019 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 1019 T C 2.022 176.738 174.700 0.026 0.000 1.044 1019 T CA 1.405 63.543 62.100 0.062 0.000 1.139 1019 T CB -0.140 68.745 68.868 0.027 0.000 0.867 1019 T HN 0.110 nan 8.240 nan 0.000 0.454 1020 S N 1.875 117.570 115.700 -0.009 0.000 2.356 1020 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 1020 S C 2.532 177.076 174.600 -0.093 0.000 1.032 1020 S CA 1.523 59.684 58.200 -0.066 0.000 1.005 1020 S CB -0.451 62.704 63.200 -0.076 0.000 0.867 1020 S HN 0.765 nan 8.310 nan 0.000 0.449 1021 S N 1.126 116.795 115.700 -0.053 0.000 2.414 1021 S HA 0.020 4.490 4.470 -0.000 0.000 0.227 1021 S C 1.622 176.043 174.600 -0.300 0.000 1.022 1021 S CA 0.434 58.531 58.200 -0.172 0.000 0.958 1021 S CB -0.630 62.529 63.200 -0.068 0.000 0.797 1021 S HN 0.420 nan 8.310 nan 0.000 0.493 1022 F N 3.232 123.005 119.950 -0.295 0.000 2.234 1022 F HA 0.261 4.788 4.527 -0.000 0.000 0.299 1022 F C 2.392 178.002 175.800 -0.318 0.000 1.087 1022 F CA 0.182 57.986 58.000 -0.327 0.000 1.340 1022 F CB -0.976 37.900 39.000 -0.207 0.000 1.031 1022 F HN 0.284 nan 8.300 nan 0.000 0.500 1023 A N -0.085 122.504 122.820 -0.385 0.000 1.902 1023 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 1023 A C 2.320 179.613 177.584 -0.486 0.000 1.181 1023 A CA 1.937 53.702 52.037 -0.453 0.000 0.623 1023 A CB -1.363 17.481 19.000 -0.260 0.000 0.818 1023 A HN 0.232 nan 8.150 nan 0.000 0.443 1024 V N 0.592 120.204 119.914 -0.503 0.000 2.407 1024 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 1024 V C 2.374 177.891 176.094 -0.962 0.000 1.055 1024 V CA 1.651 63.541 62.300 -0.682 0.000 1.049 1024 V CB -0.698 30.679 31.823 -0.745 0.000 0.662 1024 V HN 0.515 nan 8.190 nan 0.000 0.455 1025 I N 0.040 120.114 120.570 -0.828 0.000 2.353 1025 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 1025 I C 2.500 178.377 176.117 -0.399 0.000 1.119 1025 I CA 1.402 62.319 61.300 -0.639 0.000 1.417 1025 I CB -1.148 36.562 38.000 -0.482 0.000 1.078 1025 I HN 0.452 nan 8.210 nan 0.000 0.421 1026 E N 0.515 120.395 120.200 -0.534 0.000 2.077 1026 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 1026 E C 2.020 178.499 176.600 -0.203 0.000 0.989 1026 E CA 1.214 57.376 56.400 -0.397 0.000 0.800 1026 E CB -0.024 29.344 29.700 -0.553 0.000 0.746 1026 E HN 0.330 nan 8.360 nan 0.000 0.452 1027 E N 0.457 120.535 120.200 -0.202 0.000 2.058 1027 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 1027 E C 1.517 178.204 176.600 0.145 0.000 0.997 1027 E CA 1.331 57.708 56.400 -0.040 0.000 0.801 1027 E CB -0.268 29.413 29.700 -0.033 0.000 0.746 1027 E HN 0.289 nan 8.360 nan 0.000 0.450 1028 W N 0.573 121.799 121.300 -0.124 0.000 2.402 1028 W HA 0.141 4.801 4.660 -0.000 0.000 0.286 1028 W C 2.386 178.860 176.519 -0.075 0.000 1.221 1028 W CA 0.941 58.231 57.345 -0.092 0.000 1.257 1028 W CB -1.258 28.147 29.460 -0.091 0.000 1.120 1028 W HN 0.250 nan 8.180 nan 0.000 0.551 1029 A N 0.047 122.948 122.820 0.136 0.000 1.902 1029 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 1029 A C 2.106 179.712 177.584 0.037 0.000 1.181 1029 A CA 2.838 54.913 52.037 0.064 0.000 0.623 1029 A CB -0.858 18.148 19.000 0.009 0.000 0.818 1029 A HN 0.127 nan 8.150 nan 0.000 0.443 1030 A N -1.553 121.279 122.820 0.020 0.000 2.417 1030 A HA 0.484 4.804 4.320 -0.000 0.000 0.224 1030 A C 2.338 179.928 177.584 0.010 0.000 2.273 1030 A CA 1.097 53.138 52.037 0.006 0.000 1.018 1030 A CB -1.359 17.633 19.000 -0.013 0.000 1.400 1030 A HN 0.749 nan 8.150 nan 0.000 0.580 1031 G N -0.304 108.500 108.800 0.006 0.000 2.672 1031 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 1031 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 1031 G C 1.498 176.401 174.900 0.006 0.000 1.238 1031 G CA 2.180 47.283 45.100 0.005 0.000 0.791 1031 G HN 0.459 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 -0.032 4.318 4.350 -0.000 0.000 0.269 1032 T C 2.366 177.030 174.700 -0.060 0.000 1.052 1032 T CA 0.958 63.045 62.100 -0.022 0.000 1.136 1032 T CB -0.136 68.710 68.868 -0.037 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 -0.069 4.271 4.340 -0.000 0.000 0.205 1033 L C 2.834 179.687 176.870 -0.028 0.000 1.079 1033 L CA 1.241 56.058 54.840 -0.038 0.000 0.752 1033 L CB -0.388 41.664 42.059 -0.012 0.000 0.906 1033 L HN 0.308 nan 8.230 nan 0.000 0.436 1034 Q N -0.569 119.222 119.800 -0.015 0.000 2.170 1034 Q HA -0.262 4.078 4.340 -0.000 0.000 0.203 1034 Q C 1.957 177.948 176.000 -0.014 0.000 0.976 1034 Q CA 1.458 57.255 55.803 -0.012 0.000 0.858 1034 Q CB -0.019 28.714 28.738 -0.007 0.000 0.907 1034 Q HN 0.288 nan 8.270 nan 0.000 0.433 1035 E N 1.293 121.481 120.200 -0.019 0.000 2.077 1035 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1035 E C 1.634 178.225 176.600 -0.015 0.000 0.989 1035 E CA 1.193 57.582 56.400 -0.018 0.000 0.800 1035 E CB -0.188 29.496 29.700 -0.027 0.000 0.746 1035 E HN 0.364 nan 8.360 nan 0.000 0.452 1036 I N 0.541 121.094 120.570 -0.028 0.000 2.226 1036 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 1036 I C 2.526 178.640 176.117 -0.004 0.000 1.100 1036 I CA 1.599 62.889 61.300 -0.016 0.000 1.374 1036 I CB -0.385 37.587 38.000 -0.045 0.000 1.057 1036 I HN 0.266 nan 8.210 nan 0.000 0.413 1037 E N 1.286 121.479 120.200 -0.012 0.000 2.265 1037 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 1037 E C 2.179 178.777 176.600 -0.004 0.000 0.996 1037 E CA 1.218 57.613 56.400 -0.008 0.000 0.832 1037 E CB -0.092 29.602 29.700 -0.009 0.000 0.756 1037 E HN 0.483 nan 8.360 nan 0.000 0.491 1038 G N 1.090 109.889 108.800 -0.001 0.000 2.395 1038 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.214 1038 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.214 1038 G C 1.556 176.460 174.900 0.007 0.000 1.177 1038 G CA 0.549 45.651 45.100 0.002 0.000 0.794 1038 G HN 0.261 nan 8.290 nan 0.000 0.532 1039 I N 1.570 122.150 120.570 0.017 0.000 2.567 1039 I HA -0.139 4.031 4.170 -0.000 0.000 0.257 1039 I C 3.155 179.277 176.117 0.009 0.000 1.184 1039 I CA 0.576 61.893 61.300 0.029 0.000 1.451 1039 I CB -0.095 37.950 38.000 0.076 0.000 1.089 1039 I HN 0.250 nan 8.210 nan 0.000 0.441 1040 A N 2.241 125.062 122.820 0.002 0.000 1.845 1040 A HA -0.231 4.089 4.320 -0.000 0.000 0.215 1040 A C 2.327 179.900 177.584 -0.019 0.000 1.195 1040 A CA 2.013 54.041 52.037 -0.015 0.000 0.616 1040 A CB -0.487 18.506 19.000 -0.013 0.000 0.832 1040 A HN 0.520 nan 8.150 nan 0.000 0.443 1041 K N -0.598 119.796 120.400 -0.010 0.000 2.365 1041 K HA 0.328 4.648 4.320 -0.000 0.000 0.197 1041 K C 1.859 178.458 176.600 -0.001 0.000 1.042 1041 K CA 0.943 57.225 56.287 -0.007 0.000 0.987 1041 K CB -0.263 32.235 32.500 -0.003 0.000 0.779 1041 K HN 0.260 nan 8.250 nan 0.000 0.484 1042 A N 1.886 124.707 122.820 0.000 0.000 1.933 1042 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 1042 A C 2.335 179.922 177.584 0.005 0.000 1.175 1042 A CA 1.643 53.683 52.037 0.005 0.000 0.628 1042 A CB -0.496 18.509 19.000 0.008 0.000 0.814 1042 A HN 0.468 nan 8.150 nan 0.000 0.444 1043 A N -1.196 121.621 122.820 -0.006 0.000 2.238 1043 A HA 0.566 4.886 4.320 -0.000 0.000 0.210 1043 A C 2.132 179.727 177.584 0.017 0.000 1.179 1043 A CA 1.100 53.134 52.037 -0.005 0.000 0.827 1043 A CB -0.445 18.528 19.000 -0.045 0.000 0.856 1043 A HN 0.776 nan 8.150 nan 0.000 0.488 1044 A N 1.251 124.073 122.820 0.004 0.000 1.898 1044 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 1044 A C 1.923 179.537 177.584 0.050 0.000 1.183 1044 A CA 1.421 53.459 52.037 0.003 0.000 0.622 1044 A CB -0.442 18.548 19.000 -0.017 0.000 0.824 1044 A HN 0.683 nan 8.150 nan 0.000 0.444 1045 E N -0.214 120.010 120.200 0.040 0.000 2.216 1045 E HA 0.136 4.486 4.350 -0.000 0.000 0.192 1045 E C 1.822 178.456 176.600 0.057 0.000 0.988 1045 E CA 0.757 57.184 56.400 0.045 0.000 0.834 1045 E CB -0.307 29.410 29.700 0.027 0.000 0.772 1045 E HN 0.432 nan 8.360 nan 0.000 0.479 1046 A N 1.703 124.557 122.820 0.057 0.000 2.066 1046 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 1046 A C 2.085 179.714 177.584 0.075 0.000 1.157 1046 A CA 1.366 53.434 52.037 0.052 0.000 0.670 1046 A CB -0.793 18.228 19.000 0.036 0.000 0.804 1046 A HN 0.423 nan 8.150 nan 0.000 0.453 1047 H N -0.431 118.640 119.070 0.002 0.000 2.482 1047 H HA 0.024 4.580 4.556 0.000 0.000 0.286 1047 H C 2.081 177.417 175.328 0.013 0.000 1.017 1047 H CA 1.344 57.395 56.048 0.005 0.000 1.322 1047 H CB -0.170 29.586 29.762 -0.010 0.000 1.426 1047 H HN 0.398 nan 8.280 nan 0.000 0.546 1048 G N 0.432 109.322 108.800 0.150 0.000 2.421 1048 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 1048 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 1048 G C 1.826 176.745 174.900 0.031 0.000 1.143 1048 G CA 0.743 45.902 45.100 0.098 0.000 0.784 1048 G HN 0.302 nan 8.290 nan 0.000 0.541 1049 V N 1.545 121.475 119.914 0.027 0.000 2.261 1049 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 1049 V C 2.756 178.862 176.094 0.020 0.000 1.047 1049 V CA 1.573 63.886 62.300 0.022 0.000 1.015 1049 V CB -0.453 31.385 31.823 0.026 0.000 0.642 1049 V HN 0.389 nan 8.190 nan 0.000 0.446 1050 I N -0.060 120.512 120.570 0.004 0.000 2.567 1050 I HA -0.239 3.931 4.170 -0.000 0.000 0.257 1050 I C 2.651 178.758 176.117 -0.016 0.000 1.184 1050 I CA 1.506 62.825 61.300 0.032 0.000 1.451 1050 I CB -0.471 37.516 38.000 -0.021 0.000 1.089 1050 I HN 0.268 nan 8.210 nan 0.000 0.441 1051 R N 1.449 121.903 120.500 -0.077 0.000 2.148 1051 R HA -0.055 4.285 4.340 -0.000 0.000 0.223 1051 R C 0.744 177.043 176.300 -0.002 0.000 1.088 1051 R CA 1.035 57.097 56.100 -0.063 0.000 0.985 1051 R CB 0.083 30.350 30.300 -0.054 0.000 0.880 1051 R HN 0.351 nan 8.270 nan 0.000 0.451 1052 N N 0.556 119.265 118.700 0.016 0.000 2.380 1052 N HA 0.114 4.854 4.740 -0.000 0.000 0.255 1052 N C -1.113 174.420 175.510 0.039 0.000 1.158 1052 N CA 0.056 53.122 53.050 0.026 0.000 0.878 1052 N CB 1.446 39.946 38.487 0.021 0.000 1.138 1052 N HN -0.008 nan 8.380 nan 0.000 0.509 1053 S N -0.512 115.230 115.700 0.070 0.000 2.599 1053 S HA 0.526 4.996 4.470 -0.000 0.000 0.294 1053 S C -0.133 174.555 174.600 0.147 0.000 1.094 1053 S CA -0.534 57.721 58.200 0.092 0.000 0.931 1053 S CB 2.390 65.659 63.200 0.114 0.000 1.093 1053 S HN -0.005 nan 8.310 nan 0.000 0.488 1054 T N 2.571 117.189 114.554 0.107 0.000 2.770 1054 T HA 0.448 4.798 4.350 -0.000 0.000 0.283 1054 T C -1.277 173.508 174.700 0.142 0.000 0.988 1054 T CA -0.229 61.949 62.100 0.131 0.000 0.957 1054 T CB 0.165 69.069 68.868 0.059 0.000 0.930 1054 T HN 0.388 nan 8.240 nan 0.000 0.443 1055 Y N 1.770 122.065 120.300 -0.008 0.000 2.316 1055 Y HA 0.596 5.146 4.550 -0.000 0.000 0.331 1055 Y C 0.946 176.841 175.900 -0.007 0.000 1.083 1055 Y CA -0.151 57.944 58.100 -0.008 0.000 1.206 1055 Y CB 1.221 39.676 38.460 -0.008 0.000 1.195 1055 Y HN 0.841 nan 8.280 nan 0.000 0.497 1056 G N 2.050 110.877 108.800 0.045 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 0.305 175.217 174.900 0.021 0.000 1.386 1056 G CA -0.915 44.203 45.100 0.030 0.000 0.959 1056 G HN 0.601 nan 8.290 nan 0.000 0.522 1057 R N -0.719 119.789 120.500 0.012 0.000 2.159 1057 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 1057 R C 2.504 178.798 176.300 -0.010 0.000 1.131 1057 R CA 1.872 57.976 56.100 0.007 0.000 0.982 1057 R CB -0.401 29.901 30.300 0.003 0.000 0.868 1057 R HN 0.500 nan 8.270 nan 0.000 0.453 1058 A N 0.609 123.412 122.820 -0.029 0.000 1.940 1058 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 1058 A C 1.882 179.428 177.584 -0.064 0.000 1.176 1058 A CA 1.424 53.434 52.037 -0.046 0.000 0.631 1058 A CB -0.275 18.691 19.000 -0.057 0.000 0.814 1058 A HN 0.405 nan 8.150 nan 0.000 0.446 1059 Q N -0.762 118.980 119.800 -0.096 0.000 2.472 1059 Q HA 0.316 4.656 4.340 -0.000 0.000 0.208 1059 Q C 1.698 177.683 176.000 -0.024 0.000 0.958 1059 Q CA 0.859 56.586 55.803 -0.126 0.000 0.932 1059 Q CB -0.229 28.292 28.738 -0.362 0.000 1.007 1059 Q HN 0.648 nan 8.270 nan 0.000 0.508 1060 A N 0.221 123.042 122.820 0.001 0.000 2.238 1060 A HA 0.036 4.356 4.320 -0.000 0.000 0.210 1060 A C 0.962 178.541 177.584 -0.009 0.000 1.179 1060 A CA 0.148 52.194 52.037 0.014 0.000 0.827 1060 A CB 0.242 19.256 19.000 0.022 0.000 0.856 1060 A HN 0.217 nan 8.150 nan 0.000 0.488 1061 E N -0.151 120.039 120.200 -0.017 0.000 2.437 1061 E HA 0.188 4.538 4.350 -0.000 0.000 0.195 1061 E C -0.219 176.367 176.600 -0.023 0.000 1.029 1061 E CA -0.031 56.357 56.400 -0.020 0.000 0.948 1061 E CB 0.229 29.918 29.700 -0.020 0.000 1.082 1061 E HN 0.408 nan 8.360 nan 0.000 0.456 1062 K N 0.254 120.640 120.400 -0.023 0.000 2.622 1062 K HA 0.212 4.532 4.320 -0.000 0.000 0.273 1062 K C -1.603 174.988 176.600 -0.015 0.000 0.957 1062 K CA -0.409 55.865 56.287 -0.021 0.000 0.861 1062 K CB 1.811 34.297 32.500 -0.023 0.000 1.405 1062 K HN -0.138 nan 8.250 nan 0.000 0.406 1063 S N 3.877 119.572 115.700 -0.009 0.000 2.438 1063 S HA 0.338 4.808 4.470 -0.000 0.000 0.293 1063 S C -2.459 172.164 174.600 0.037 0.000 1.141 1063 S CA -1.132 57.073 58.200 0.008 0.000 1.080 1063 S CB 1.101 64.298 63.200 -0.006 0.000 0.978 1063 S HN 0.403 nan 8.310 nan 0.000 0.479 1064 P HA 0.016 nan 4.420 nan 0.000 0.254 1064 P C 0.151 177.492 177.300 0.069 0.000 1.186 1064 P CA 0.247 63.385 63.100 0.063 0.000 0.868 1064 P CB 0.312 32.068 31.700 0.094 0.000 0.856 1065 E N 2.141 122.367 120.200 0.043 0.000 2.209 1065 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 1065 E C 1.909 178.532 176.600 0.038 0.000 0.993 1065 E CA 0.943 57.367 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 0.831 120.651 119.800 0.033 0.000 2.079 1066 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 1066 Q C 2.148 178.163 176.000 0.025 0.000 0.974 1066 Q CA 1.012 56.830 55.803 0.026 0.000 0.840 1066 Q CB 0.055 28.806 28.738 0.022 0.000 0.898 1066 Q HN 0.313 nan 8.270 nan 0.000 0.430 1067 L N 0.318 121.560 121.223 0.032 0.000 2.056 1067 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 1067 L C 2.381 179.248 176.870 -0.006 0.000 1.078 1067 L CA 0.752 55.590 54.840 -0.004 0.000 0.749 1067 L CB -0.478 41.574 42.059 -0.012 0.000 0.901 1067 L HN 0.317 nan 8.230 nan 0.000 0.433 1068 L N -0.103 121.153 121.223 0.055 0.000 2.265 1068 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 1068 L C 2.563 179.463 176.870 0.049 0.000 1.117 1068 L CA 0.969 55.853 54.840 0.074 0.000 0.782 1068 L CB -0.982 41.134 42.059 0.095 0.000 0.914 1068 L HN 0.301 nan 8.230 nan 0.000 0.441 1069 G N -0.593 108.229 108.800 0.036 0.000 2.430 1069 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.216 1069 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.216 1069 G C 1.547 176.466 174.900 0.032 0.000 1.146 1069 G CA 0.542 45.661 45.100 0.032 0.000 0.793 1069 G HN 0.159 nan 8.290 nan 0.000 0.537 1070 V N 0.898 120.824 119.914 0.020 0.000 2.300 1070 V HA 0.011 4.131 4.120 -0.000 0.000 0.241 1070 V C 2.807 178.929 176.094 0.047 0.000 1.034 1070 V CA 1.003 63.315 62.300 0.021 0.000 1.021 1070 V CB -0.511 31.305 31.823 -0.012 0.000 0.662 1070 V HN 0.290 nan 8.190 nan 0.000 0.458 1071 L N 0.110 121.344 121.223 0.018 0.000 2.189 1071 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 1071 L C 2.548 179.498 176.870 0.133 0.000 1.097 1071 L CA 1.582 56.462 54.840 0.067 0.000 0.764 1071 L CB -0.466 41.604 42.059 0.018 0.000 0.900 1071 L HN 0.426 nan 8.230 nan 0.000 0.436 1072 Q N 0.521 120.376 119.800 0.091 0.000 2.089 1072 Q HA -0.158 4.182 4.340 -0.000 0.000 0.195 1072 Q C 2.257 178.302 176.000 0.074 0.000 0.963 1072 Q CA 1.308 57.157 55.803 0.077 0.000 0.834 1072 Q CB -0.140 28.633 28.738 0.058 0.000 0.906 1072 Q HN 0.225 nan 8.270 nan 0.000 0.452 1073 R N -1.090 119.455 120.500 0.074 0.000 2.159 1073 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 1073 R C 1.903 178.255 176.300 0.088 0.000 1.131 1073 R CA 1.423 57.561 56.100 0.062 0.000 0.982 1073 R CB -0.304 30.028 30.300 0.054 0.000 0.868 1073 R HN 0.428 nan 8.270 nan 0.000 0.453 1074 Y N 0.808 121.098 120.300 -0.016 0.000 2.176 1074 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 1074 Y C 2.374 178.257 175.900 -0.029 0.000 1.122 1074 Y CA 1.762 59.847 58.100 -0.025 0.000 1.128 1074 Y CB -0.436 38.010 38.460 -0.023 0.000 1.005 1074 Y HN 0.065 nan 8.280 nan 0.000 0.509 1075 Q N 0.197 119.985 119.800 -0.020 0.000 2.197 1075 Q HA -0.244 4.096 4.340 -0.000 0.000 0.207 1075 Q C 1.473 177.392 176.000 -0.135 0.000 0.984 1075 Q CA 2.085 57.799 55.803 -0.148 0.000 0.869 1075 Q CB -0.193 28.519 28.738 -0.044 0.000 0.906 1075 Q HN 0.575 nan 8.270 nan 0.000 0.426 1076 D N 0.439 120.803 120.400 -0.060 0.000 2.097 1076 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 1076 D C 1.998 178.254 176.300 -0.073 0.000 0.984 1076 D CA 0.971 54.956 54.000 -0.025 0.000 0.826 1076 D CB -0.168 40.625 40.800 -0.013 0.000 0.973 1076 D HN 0.313 nan 8.370 nan 0.000 0.460 1077 L N 0.635 121.783 121.223 -0.126 0.000 2.017 1077 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 1077 L C 2.442 179.200 176.870 -0.187 0.000 1.073 1077 L CA 1.414 56.163 54.840 -0.151 0.000 0.745 1077 L CB -0.215 41.756 42.059 -0.148 0.000 0.894 1077 L HN 0.026 nan 8.230 nan 0.000 0.432 1078 C N -0.408 118.713 119.300 -0.300 0.000 2.413 1078 C HA -0.249 4.211 4.460 -0.000 0.000 0.276 1078 C C 2.616 177.573 174.990 -0.056 0.000 1.236 1078 C CA 1.302 60.166 59.018 -0.256 0.000 1.735 1078 C CB -1.501 26.000 27.740 -0.400 0.000 2.031 1078 C HN 0.726 nan 8.230 nan 0.000 0.474 1079 H N 1.329 120.297 119.070 -0.170 0.000 2.265 1079 H HA -0.191 4.365 4.556 -0.000 0.000 0.293 1079 H C 2.072 177.405 175.328 0.008 0.000 1.089 1079 H CA 2.060 58.054 56.048 -0.090 0.000 1.244 1079 H CB -0.170 29.534 29.762 -0.097 0.000 1.355 1079 H HN 0.472 nan 8.280 nan 0.000 0.485 1080 N N 0.530 119.201 118.700 -0.048 0.000 2.018 1080 N HA -0.163 4.577 4.740 -0.000 0.000 0.196 1080 N C 2.222 177.773 175.510 0.068 0.000 1.043 1080 N CA 1.398 54.398 53.050 -0.082 0.000 0.856 1080 N CB -0.793 37.627 38.487 -0.110 0.000 1.042 1080 N HN 0.215 nan 8.380 nan 0.000 0.423 1081 V N 1.271 121.201 119.914 0.027 0.000 2.231 1081 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 1081 V C 2.147 178.338 176.094 0.160 0.000 1.054 1081 V CA 1.823 64.137 62.300 0.023 0.000 1.015 1081 V CB -0.831 30.870 31.823 -0.203 0.000 0.638 1081 V HN 0.307 nan 8.190 nan 0.000 0.444 1082 Y N -0.181 120.144 120.300 0.042 0.000 2.241 1082 Y HA -0.328 4.222 4.550 0.000 0.000 0.286 1082 Y C 2.420 178.395 175.900 0.124 0.000 1.166 1082 Y CA 2.056 60.203 58.100 0.078 0.000 1.203 1082 Y CB -0.325 38.167 38.460 0.053 0.000 0.977 1082 Y HN 0.315 nan 8.280 nan 0.000 0.529 1083 C N -0.178 119.294 119.300 0.287 0.000 2.492 1083 C HA -0.089 4.371 4.460 -0.000 0.000 0.279 1083 C C 2.452 177.514 174.990 0.121 0.000 1.335 1083 C CA 0.870 60.012 59.018 0.208 0.000 1.734 1083 C CB -0.856 27.023 27.740 0.232 0.000 2.027 1083 C HN 0.591 nan 8.230 nan 0.000 0.496 1084 Q N 1.050 120.952 119.800 0.170 0.000 2.230 1084 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 1084 Q C 2.377 178.459 176.000 0.137 0.000 0.963 1084 Q CA 1.456 57.359 55.803 0.166 0.000 0.866 1084 Q CB -0.212 28.734 28.738 0.347 0.000 0.931 1084 Q HN 0.736 nan 8.270 nan 0.000 0.452 1085 A N 1.429 124.374 122.820 0.208 0.000 1.854 1085 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 1085 A C 1.913 179.488 177.584 -0.016 0.000 1.192 1085 A CA 0.949 53.071 52.037 0.142 0.000 0.611 1085 A CB -0.264 18.804 19.000 0.112 0.000 0.832 1085 A HN 0.118 nan 8.150 nan 0.000 0.442 1086 E N -0.012 120.125 120.200 -0.106 0.000 2.273 1086 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 1086 E C 1.961 178.555 176.600 -0.011 0.000 1.002 1086 E CA 1.571 57.909 56.400 -0.104 0.000 0.828 1086 E CB -0.642 28.984 29.700 -0.122 0.000 0.747 1086 E HN 0.627 nan 8.360 nan 0.000 0.491 1087 T N 0.967 115.539 114.554 0.031 0.000 2.732 1087 T HA -0.009 4.341 4.350 -0.000 0.000 0.261 1087 T C 2.100 176.837 174.700 0.062 0.000 1.040 1087 T CA 0.650 62.811 62.100 0.102 0.000 1.145 1087 T CB -0.116 68.781 68.868 0.049 0.000 0.866 1087 T HN 0.131 nan 8.240 nan 0.000 0.427 1088 I N 0.744 121.298 120.570 -0.027 0.000 2.264 1088 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 1088 I C 2.856 178.983 176.117 0.017 0.000 1.111 1088 I CA 1.254 62.534 61.300 -0.034 0.000 1.382 1088 I CB -0.328 37.601 38.000 -0.118 0.000 1.060 1088 I HN 0.134 nan 8.210 nan 0.000 0.418 1089 R N 0.120 120.618 120.500 -0.004 0.000 2.092 1089 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 1089 R C 2.269 178.542 176.300 -0.045 0.000 1.119 1089 R CA 1.785 57.877 56.100 -0.014 0.000 0.970 1089 R CB -0.636 29.645 30.300 -0.033 0.000 0.864 1089 R HN 0.350 nan 8.270 nan 0.000 0.440 1090 T N 0.896 115.400 114.554 -0.082 0.000 2.867 1090 T HA -0.062 4.287 4.350 -0.000 0.000 0.268 1090 T C 1.959 176.567 174.700 -0.153 0.000 1.057 1090 T CA 0.959 62.931 62.100 -0.214 0.000 1.136 1090 T CB -0.062 68.516 68.868 -0.483 0.000 0.874 1090 T HN -0.000 nan 8.240 nan 0.000 0.466 1091 V N 1.013 120.926 119.914 -0.002 0.000 2.515 1091 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 1091 V C 2.214 178.334 176.094 0.043 0.000 1.058 1091 V CA 1.332 63.677 62.300 0.076 0.000 1.064 1091 V CB -0.480 31.424 31.823 0.135 0.000 0.675 1091 V HN 0.500 nan 8.190 nan 0.000 0.461 1092 I N 0.066 120.649 120.570 0.022 0.000 2.364 1092 I HA -0.035 4.135 4.170 -0.000 0.000 0.241 1092 I C 2.717 178.813 176.117 -0.035 0.000 1.082 1092 I CA 1.038 62.341 61.300 0.004 0.000 1.401 1092 I CB -0.726 37.278 38.000 0.006 0.000 1.126 1092 I HN 0.219 nan 8.210 nan 0.000 0.429 1093 A N 1.919 124.709 122.820 -0.050 0.000 1.971 1093 A HA -0.247 4.073 4.320 -0.000 0.000 0.222 1093 A C 2.197 179.750 177.584 -0.053 0.000 1.182 1093 A CA 2.342 54.343 52.037 -0.059 0.000 0.649 1093 A CB -1.232 17.732 19.000 -0.060 0.000 0.818 1093 A HN 0.672 nan 8.150 nan 0.000 0.458 1094 I N -4.839 115.698 120.570 -0.055 0.000 3.564 1094 I HA 0.106 4.276 4.170 -0.000 0.000 0.294 1094 I C 1.344 177.450 176.117 -0.019 0.000 1.289 1094 I CA 0.622 61.897 61.300 -0.041 0.000 1.325 1094 I CB -0.045 37.923 38.000 -0.053 0.000 1.039 1094 I HN 0.084 nan 8.210 nan 0.000 0.474 1095 R N 1.184 121.672 120.500 -0.020 0.000 2.613 1095 R HA 0.481 4.821 4.340 -0.000 0.000 0.361 1095 R C -0.200 176.084 176.300 -0.027 0.000 1.072 1095 R CA -0.270 55.822 56.100 -0.013 0.000 1.089 1095 R CB 0.608 30.909 30.300 0.000 0.000 1.343 1095 R HN 0.323 nan 8.270 nan 0.000 0.571 1096 I N 4.070 124.619 120.570 -0.034 0.000 2.337 1096 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 1096 I C -1.409 174.707 176.117 -0.002 0.000 1.046 1096 I CA -1.862 59.415 61.300 -0.039 0.000 1.324 1096 I CB 0.875 38.843 38.000 -0.053 0.000 1.409 1096 I HN -0.083 nan 8.210 nan 0.000 0.494 1097 P HA -0.008 nan 4.420 nan 0.000 0.274 1097 P C -0.231 177.092 177.300 0.039 0.000 1.264 1097 P CA -0.422 62.687 63.100 0.014 0.000 0.795 1097 P CB 0.545 32.247 31.700 0.002 0.000 1.064 1098 E N -0.102 120.117 120.200 0.032 0.000 2.529 1098 E HA -0.140 4.210 4.350 -0.000 0.000 0.259 1098 E C -0.115 176.529 176.600 0.073 0.000 0.966 1098 E CA -0.024 56.406 56.400 0.049 0.000 0.937 1098 E CB -0.039 29.675 29.700 0.024 0.000 0.923 1098 E HN 0.374 nan 8.360 nan 0.000 0.468 1099 H N 4.635 123.713 119.070 0.015 0.000 3.082 1099 H HA 0.118 4.674 4.556 0.000 0.000 0.275 1099 H C -0.711 174.624 175.328 0.012 0.000 1.032 1099 H CA 0.657 56.717 56.048 0.020 0.000 1.477 1099 H CB 0.192 29.966 29.762 0.020 0.000 1.520 1099 H HN 0.347 nan 8.280 nan 0.000 0.521 1100 K N 3.138 123.303 120.400 -0.392 0.000 2.378 1100 K HA 0.235 4.555 4.320 -0.000 0.000 0.244 1100 K C 0.181 176.556 176.600 -0.375 0.000 1.039 1100 K CA -0.959 55.145 56.287 -0.305 0.000 0.863 1100 K CB 1.434 33.850 32.500 -0.139 0.000 1.326 1100 K HN 0.543 nan 8.250 nan 0.000 0.460 1101 E N 1.424 121.498 120.200 -0.209 0.000 2.548 1101 E HA 0.050 4.400 4.350 -0.000 0.000 0.206 1101 E C -0.700 175.847 176.600 -0.089 0.000 1.005 1101 E CA 0.245 56.558 56.400 -0.145 0.000 0.951 1101 E CB 0.728 30.372 29.700 -0.093 0.000 1.035 1101 E HN 0.578 nan 8.360 nan 0.000 0.470 1102 E N -0.595 119.553 120.200 -0.087 0.000 2.433 1102 E HA 0.307 4.657 4.350 -0.000 0.000 0.278 1102 E C -0.677 175.891 176.600 -0.053 0.000 0.976 1102 E CA -0.820 55.546 56.400 -0.058 0.000 0.793 1102 E CB 0.986 30.657 29.700 -0.048 0.000 1.311 1102 E HN -0.253 nan 8.360 nan 0.000 0.460 1103 D N 0.416 120.792 120.400 -0.040 0.000 2.723 1103 D HA -0.148 4.492 4.640 -0.000 0.000 0.236 1103 D C -0.692 175.589 176.300 -0.031 0.000 1.138 1103 D CA 0.573 54.552 54.000 -0.035 0.000 0.676 1103 D CB -1.315 39.462 40.800 -0.038 0.000 1.069 1103 D HN 0.566 nan 8.370 nan 0.000 0.430 1104 N N 0.262 118.947 118.700 -0.024 0.000 2.321 1104 N HA 0.136 4.876 4.740 -0.000 0.000 0.242 1104 N C 1.795 177.306 175.510 0.001 0.000 1.141 1104 N CA -0.280 52.765 53.050 -0.007 0.000 0.864 1104 N CB 0.216 38.702 38.487 -0.001 0.000 1.100 1104 N HN 0.415 nan 8.380 nan 0.000 0.510 1105 L N -0.288 120.928 121.223 -0.012 0.000 2.093 1105 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 1105 L C 2.350 179.211 176.870 -0.016 0.000 1.085 1105 L CA 1.389 56.220 54.840 -0.014 0.000 0.755 1105 L CB -0.376 41.669 42.059 -0.024 0.000 0.904 1105 L HN 0.223 nan 8.230 nan 0.000 0.435 1106 G N -0.715 108.070 108.800 -0.025 0.000 2.396 1106 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.214 1106 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.214 1106 G C 1.578 176.467 174.900 -0.019 0.000 1.166 1106 G CA 0.561 45.639 45.100 -0.036 0.000 0.793 1106 G HN 0.149 nan 8.290 nan 0.000 0.533 1107 V N 1.931 121.846 119.914 0.002 0.000 2.380 1107 V HA -0.225 3.895 4.120 -0.000 0.000 0.251 1107 V C 3.328 179.478 176.094 0.093 0.000 1.063 1107 V CA 2.061 64.381 62.300 0.034 0.000 1.055 1107 V CB -1.007 30.865 31.823 0.082 0.000 0.657 1107 V HN 0.463 nan 8.190 nan 0.000 0.455 1108 A N -0.140 122.733 122.820 0.087 0.000 1.908 1108 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 1108 A C 2.414 180.045 177.584 0.078 0.000 1.181 1108 A CA 2.200 54.298 52.037 0.101 0.000 0.627 1108 A CB -0.743 18.287 19.000 0.051 0.000 0.818 1108 A HN 0.353 nan 8.150 nan 0.000 0.445 1109 V N 0.143 120.074 119.914 0.028 0.000 2.332 1109 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 1109 V C 2.677 178.774 176.094 0.005 0.000 1.055 1109 V CA 2.290 64.594 62.300 0.007 0.000 1.038 1109 V CB -0.989 30.816 31.823 -0.030 0.000 0.651 1109 V HN 0.645 nan 8.190 nan 0.000 0.450 1110 Q N -0.910 118.874 119.800 -0.027 0.000 2.002 1110 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 1110 Q C 2.339 178.296 176.000 -0.071 0.000 0.988 1110 Q CA 1.874 57.629 55.803 -0.079 0.000 0.843 1110 Q CB -0.394 28.244 28.738 -0.166 0.000 0.908 1110 Q HN 0.690 nan 8.270 nan 0.000 0.420 1111 H N 0.065 119.148 119.070 0.021 0.000 2.387 1111 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 1111 H C 2.081 177.426 175.328 0.030 0.000 1.099 1111 H CA 1.405 57.469 56.048 0.026 0.000 1.315 1111 H CB -0.170 29.607 29.762 0.025 0.000 1.380 1111 H HN 0.343 nan 8.280 nan 0.000 0.513 1112 A N 0.598 123.500 122.820 0.138 0.000 1.845 1112 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 1112 A C 2.885 180.518 177.584 0.081 0.000 1.195 1112 A CA 1.881 53.974 52.037 0.093 0.000 0.616 1112 A CB -0.971 18.069 19.000 0.066 0.000 0.832 1112 A HN 0.215 nan 8.150 nan 0.000 0.443 1113 V N 0.214 120.170 119.914 0.070 0.000 2.343 1113 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 1113 V C 2.567 178.713 176.094 0.086 0.000 1.051 1113 V CA 1.899 64.248 62.300 0.081 0.000 1.036 1113 V CB -0.792 31.080 31.823 0.081 0.000 0.654 1113 V HN 0.558 nan 8.190 nan 0.000 0.451 1114 L N -0.190 121.074 121.223 0.069 0.000 2.081 1114 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 1114 L C 2.602 179.520 176.870 0.079 0.000 1.080 1114 L CA 2.051 56.930 54.840 0.065 0.000 0.754 1114 L CB -0.552 41.536 42.059 0.048 0.000 0.893 1114 L HN 0.364 nan 8.230 nan 0.000 0.433 1115 K N 0.643 121.097 120.400 0.090 0.000 2.057 1115 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 1115 K C 2.156 178.803 176.600 0.078 0.000 1.050 1115 K CA 1.256 57.593 56.287 0.083 0.000 0.935 1115 K CB -0.056 32.492 32.500 0.081 0.000 0.715 1115 K HN 0.254 nan 8.250 nan 0.000 0.439 1116 I N 0.826 121.446 120.570 0.083 0.000 2.361 1116 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 1116 I C 1.858 178.030 176.117 0.092 0.000 1.133 1116 I CA 1.101 62.452 61.300 0.085 0.000 1.413 1116 I CB 0.058 38.113 38.000 0.092 0.000 1.073 1116 I HN 0.256 nan 8.210 nan 0.000 0.424 1117 I N 0.852 121.480 120.570 0.098 0.000 2.252 1117 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 1117 I C 1.943 178.106 176.117 0.076 0.000 1.102 1117 I CA 1.323 62.685 61.300 0.103 0.000 1.385 1117 I CB -0.511 37.547 38.000 0.097 0.000 1.064 1117 I HN 0.258 nan 8.210 nan 0.000 0.414 1118 D N 0.434 120.875 120.400 0.067 0.000 2.178 1118 D HA -0.218 4.422 4.640 -0.000 0.000 0.202 1118 D C 1.955 178.300 176.300 0.074 0.000 0.974 1118 D CA 1.036 55.074 54.000 0.062 0.000 0.841 1118 D CB -0.173 40.664 40.800 0.063 0.000 0.953 1118 D HN 0.431 nan 8.370 nan 0.000 0.478 1119 E N 0.173 120.419 120.200 0.075 0.000 2.150 1119 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 1119 E C 2.095 178.744 176.600 0.082 0.000 0.985 1119 E CA 0.284 56.732 56.400 0.080 0.000 0.814 1119 E CB 0.075 29.822 29.700 0.079 0.000 0.752 1119 E HN 0.098 nan 8.360 nan 0.000 0.466 1120 L N 1.276 122.540 121.223 0.068 0.000 2.044 1120 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 1120 L C 1.864 178.770 176.870 0.060 0.000 1.075 1120 L CA 1.833 56.699 54.840 0.042 0.000 0.747 1120 L CB -0.354 41.724 42.059 0.032 0.000 0.903 1120 L HN 0.030 nan 8.230 nan 0.000 0.435 1121 E N -0.298 119.949 120.200 0.077 0.000 2.160 1121 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 1121 E C 2.277 178.990 176.600 0.188 0.000 0.991 1121 E CA 1.534 58.015 56.400 0.135 0.000 0.810 1121 E CB -0.197 29.541 29.700 0.064 0.000 0.742 1121 E HN 0.593 nan 8.360 nan 0.000 0.466 1122 I N 0.919 121.570 120.570 0.135 0.000 2.315 1122 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 1122 I C 2.208 178.395 176.117 0.116 0.000 1.117 1122 I CA 0.835 62.210 61.300 0.126 0.000 1.404 1122 I CB -0.070 37.991 38.000 0.101 0.000 1.071 1122 I HN 0.027 nan 8.210 nan 0.000 0.419 1123 K N 0.457 120.924 120.400 0.111 0.000 2.002 1123 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 1123 K C 2.156 178.814 176.600 0.097 0.000 1.048 1123 K CA 2.204 58.562 56.287 0.117 0.000 0.930 1123 K CB -1.186 31.397 32.500 0.137 0.000 0.714 1123 K HN 0.446 nan 8.250 nan 0.000 0.438 1124 T N 0.797 115.393 114.554 0.070 0.000 2.684 1124 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 1124 T C 2.046 176.758 174.700 0.020 0.000 1.036 1124 T CA 1.220 63.332 62.100 0.021 0.000 1.148 1124 T CB -0.566 68.319 68.868 0.028 0.000 0.863 1124 T HN 0.046 nan 8.240 nan 0.000 0.436 1125 L N 1.915 123.187 121.223 0.082 0.000 2.187 1125 L HA 0.231 4.571 4.340 -0.000 0.000 0.213 1125 L C 1.416 178.343 176.870 0.095 0.000 1.100 1125 L CA 1.596 56.465 54.840 0.048 0.000 0.765 1125 L CB -1.321 40.800 42.059 0.102 0.000 0.904 1125 L HN 0.929 nan 8.230 nan 0.000 0.437 1126 G N -2.164 106.697 108.800 0.101 0.000 2.741 1126 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.222 1126 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.222 1126 G C 0.611 175.576 174.900 0.110 0.000 1.364 1126 G CA 0.350 45.520 45.100 0.116 0.000 0.866 1126 G HN 0.567 nan 8.290 nan 0.000 0.555 1127 S N -0.437 115.321 115.700 0.097 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 1.766 60.008 58.200 0.069 0.000 0.984 1127 S CB -0.692 62.536 63.200 0.048 0.000 0.939 1127 S HN 2.930 nan 8.310 nan 0.000 0.438 1128 G N 1.135 109.983 108.800 0.079 0.000 2.715 1128 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.221 1128 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.221 1128 G C -0.085 174.824 174.900 0.015 0.000 1.204 1128 G CA 0.118 45.236 45.100 0.030 0.000 1.063 1128 G HN 0.439 nan 8.290 nan 0.000 0.586 1129 E N -0.654 119.539 120.200 -0.011 0.000 2.614 1129 E HA 0.203 4.553 4.350 -0.000 0.000 0.192 1129 E C -0.215 176.381 176.600 -0.008 0.000 0.930 1129 E CA 0.186 56.584 56.400 -0.004 0.000 1.346 1129 E CB 1.009 30.702 29.700 -0.011 0.000 1.252 1129 E HN 0.383 nan 8.360 nan 0.000 0.647 1130 K N 1.774 122.167 120.400 -0.012 0.000 2.545 1130 K HA 0.367 4.687 4.320 -0.000 0.000 0.252 1130 K C -1.122 175.477 176.600 -0.001 0.000 0.948 1130 K CA -0.461 55.821 56.287 -0.009 0.000 0.827 1130 K CB 1.481 33.971 32.500 -0.018 0.000 1.128 1130 K HN 0.006 nan 8.250 nan 0.000 0.429 1131 S N 2.174 117.876 115.700 0.003 0.000 2.537 1131 S HA 0.709 5.179 4.470 -0.000 0.000 0.301 1131 S C 0.163 174.770 174.600 0.010 0.000 1.092 1131 S CA -0.699 57.506 58.200 0.008 0.000 1.048 1131 S CB 1.499 64.705 63.200 0.009 0.000 1.053 1131 S HN 0.721 nan 8.310 nan 0.000 0.501 1132 G N 1.520 110.329 108.800 0.015 0.000 2.361 1132 G HA2 0.339 4.298 3.960 -0.000 0.000 0.260 1132 G HA3 0.339 4.298 3.960 -0.000 0.000 0.260 1132 G C 1.090 175.999 174.900 0.015 0.000 1.261 1132 G CA -0.116 44.995 45.100 0.018 0.000 0.897 1132 G HN 1.509 nan 8.290 nan 0.000 0.499 1133 S N 1.587 117.295 115.700 0.013 0.000 2.462 1133 S HA -0.236 4.234 4.470 -0.000 0.000 0.255 1133 S C 2.191 176.797 174.600 0.010 0.000 1.058 1133 S CA 1.734 59.940 58.200 0.010 0.000 1.019 1133 S CB -0.444 62.762 63.200 0.010 0.000 0.801 1133 S HN 1.003 nan 8.310 nan 0.000 0.491 1134 G N 0.418 109.225 108.800 0.013 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 0.951 175.855 174.900 0.007 0.000 1.150 1134 G CA 0.141 45.248 45.100 0.011 0.000 0.785 1134 G HN 1.345 nan 8.290 nan 0.000 0.535 1135 G N -0.478 108.327 108.800 0.008 0.000 2.488 1135 G HA2 0.241 4.201 3.960 -0.000 0.000 0.237 1135 G HA3 0.241 4.201 3.960 -0.000 0.000 0.237 1135 G C 0.478 175.382 174.900 0.008 0.000 1.209 1135 G CA 0.337 45.440 45.100 0.006 0.000 0.929 1135 G HN 1.380 nan 8.290 nan 0.000 0.578 1136 A N 0.540 123.361 122.820 0.002 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.516 177.062 177.584 -0.011 0.000 0.964 1136 A CA 0.819 52.857 52.037 0.003 0.000 1.045 1136 A CB 0.549 19.552 19.000 0.004 0.000 1.174 1136 A HN 0.675 nan 8.150 nan 0.000 0.493 1137 P HA -0.059 nan 4.420 nan 0.000 0.234 1137 P C 0.652 177.922 177.300 -0.051 0.000 1.167 1137 P CA 0.989 64.067 63.100 -0.036 0.000 0.763 1137 P CB -0.248 31.432 31.700 -0.034 0.000 0.835 1138 T N 0.883 115.421 114.554 -0.026 0.000 2.779 1138 T HA 0.221 4.571 4.350 -0.000 0.000 0.296 1138 T C -1.656 173.032 174.700 -0.019 0.000 0.938 1138 T CA -1.702 60.388 62.100 -0.016 0.000 1.119 1138 T CB 0.370 69.256 68.868 0.031 0.000 0.891 1138 T HN -0.118 nan 8.240 nan 0.000 0.526 1139 P HA -0.081 nan 4.420 nan 0.000 0.224 1139 P C 0.109 177.380 177.300 -0.049 0.000 0.880 1139 P CA 0.851 63.919 63.100 -0.053 0.000 1.070 1139 P CB 0.180 31.858 31.700 -0.036 0.000 0.652 1140 I N -2.267 118.292 120.570 -0.019 0.000 2.545 1140 I HA 0.521 4.691 4.170 -0.000 0.000 0.292 1140 I C 0.627 176.824 176.117 0.132 0.000 1.040 1140 I CA -1.019 60.282 61.300 0.002 0.000 1.068 1140 I CB 1.795 39.732 38.000 -0.104 0.000 1.251 1140 I HN 0.119 nan 8.210 nan 0.000 0.424 1141 G N 5.319 114.208 108.800 0.149 0.000 2.527 1141 G HA2 0.072 4.032 3.960 -0.000 0.000 0.279 1141 G HA3 0.072 4.032 3.960 -0.000 0.000 0.279 1141 G C 0.484 175.495 174.900 0.185 0.000 1.374 1141 G CA -0.155 45.055 45.100 0.183 0.000 1.053 1141 G HN 0.804 nan 8.290 nan 0.000 0.539 1142 M N -1.788 117.816 119.600 0.007 0.000 2.453 1142 M HA 0.430 4.910 4.480 -0.000 0.000 0.239 1142 M C -0.142 175.950 176.300 -0.346 0.000 1.151 1142 M CA 0.336 55.509 55.300 -0.212 0.000 0.989 1142 M CB 0.357 32.708 32.600 -0.415 0.000 1.548 1142 M HN 0.338 nan 8.290 nan 0.000 0.479 1143 Y N 0.379 120.734 120.300 0.091 0.000 2.751 1143 Y HA 0.602 5.152 4.550 -0.000 0.000 0.289 1143 Y C 1.878 177.872 175.900 0.157 0.000 1.110 1143 Y CA -0.323 57.831 58.100 0.091 0.000 1.251 1143 Y CB -0.091 38.403 38.460 0.056 0.000 1.178 1143 Y HN 0.420 nan 8.280 nan 0.000 0.540 1144 A N 0.044 123.029 122.820 0.275 0.000 1.883 1144 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 1144 A C 2.078 179.869 177.584 0.345 0.000 1.186 1144 A CA 1.583 53.820 52.037 0.333 0.000 0.624 1144 A CB -0.600 18.568 19.000 0.279 0.000 0.822 1144 A HN 0.476 nan 8.150 nan 0.000 0.444 1145 L N -0.344 121.031 121.223 0.252 0.000 1.997 1145 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 1145 L C 2.570 179.572 176.870 0.219 0.000 1.074 1145 L CA 2.560 57.536 54.840 0.227 0.000 0.763 1145 L CB -0.753 41.402 42.059 0.160 0.000 0.890 1145 L HN 0.511 nan 8.230 nan 0.000 0.434 1146 R N 0.054 120.681 120.500 0.211 0.000 2.080 1146 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 1146 R C 2.163 178.552 176.300 0.148 0.000 1.137 1146 R CA 2.012 58.210 56.100 0.164 0.000 0.943 1146 R CB -0.505 29.907 30.300 0.186 0.000 0.846 1146 R HN 0.525 nan 8.270 nan 0.000 0.431 1147 E N -1.203 119.135 120.200 0.228 0.000 2.110 1147 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 1147 E C 1.700 178.407 176.600 0.179 0.000 0.988 1147 E CA 1.266 57.816 56.400 0.250 0.000 0.804 1147 E CB -0.327 29.600 29.700 0.379 0.000 0.745 1147 E HN 0.375 nan 8.360 nan 0.000 0.458 1148 Y N 1.589 121.846 120.300 -0.071 0.000 2.089 1148 Y HA -0.187 4.363 4.550 0.000 0.000 0.282 1148 Y C 1.909 177.591 175.900 -0.363 0.000 1.139 1148 Y CA 1.403 59.121 58.100 -0.637 0.000 1.123 1148 Y CB -0.433 37.715 38.460 -0.520 0.000 0.980 1148 Y HN -0.075 nan 8.280 nan 0.000 0.493 1149 L N -0.729 120.306 121.223 -0.313 0.000 2.127 1149 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 1149 L C 2.764 179.488 176.870 -0.243 0.000 1.089 1149 L CA 1.675 56.304 54.840 -0.352 0.000 0.757 1149 L CB -0.832 41.144 42.059 -0.138 0.000 0.899 1149 L HN 0.256 nan 8.230 nan 0.000 0.434 1150 S N -0.445 115.174 115.700 -0.136 0.000 2.406 1150 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 1150 S C 2.061 176.604 174.600 -0.096 0.000 1.020 1150 S CA 1.047 59.199 58.200 -0.080 0.000 0.965 1150 S CB 0.058 63.249 63.200 -0.015 0.000 0.798 1150 S HN 0.433 nan 8.310 nan 0.000 0.488 1151 A N 1.502 124.241 122.820 -0.135 0.000 1.874 1151 A HA 0.095 4.415 4.320 -0.000 0.000 0.214 1151 A C 2.204 179.690 177.584 -0.163 0.000 1.189 1151 A CA 1.196 53.170 52.037 -0.106 0.000 0.615 1151 A CB -0.654 18.304 19.000 -0.071 0.000 0.830 1151 A HN 0.548 nan 8.150 nan 0.000 0.443 1152 R N -0.416 119.896 120.500 -0.312 0.000 2.075 1152 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 1152 R C 2.545 178.732 176.300 -0.189 0.000 1.126 1152 R CA 1.554 57.478 56.100 -0.292 0.000 0.963 1152 R CB -0.307 29.683 30.300 -0.517 0.000 0.858 1152 R HN 0.527 nan 8.270 nan 0.000 0.435 1153 S N -0.546 115.041 115.700 -0.188 0.000 2.365 1153 S HA -0.169 4.301 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 2.129 60.257 58.200 -0.120 0.000 1.033 1153 S CB -0.362 62.775 63.200 -0.106 0.000 0.887 1153 S HN 0.478 nan 8.310 nan 0.000 0.447 1154 T N 1.244 115.755 114.554 -0.071 0.000 2.833 1154 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 1154 T C 1.722 176.398 174.700 -0.039 0.000 1.054 1154 T CA 1.449 63.522 62.100 -0.045 0.000 1.135 1154 T CB -0.261 68.587 68.868 -0.033 0.000 0.869 1154 T HN 0.317 nan 8.240 nan 0.000 0.466 1155 V N 1.068 120.953 119.914 -0.048 0.000 2.788 1155 V HA 0.013 4.133 4.120 -0.000 0.000 0.251 1155 V C 2.189 178.264 176.094 -0.031 0.000 1.068 1155 V CA 1.040 63.318 62.300 -0.035 0.000 1.090 1155 V CB -0.403 31.398 31.823 -0.037 0.000 0.710 1155 V HN 0.506 nan 8.190 nan 0.000 0.467 1156 E N -0.121 120.054 120.200 -0.043 0.000 2.418 1156 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 1156 E C 1.497 178.081 176.600 -0.026 0.000 1.026 1156 E CA 0.700 57.080 56.400 -0.033 0.000 0.862 1156 E CB 0.035 29.706 29.700 -0.048 0.000 0.799 1156 E HN 0.574 nan 8.360 nan 0.000 0.518 1157 D N 0.491 120.874 120.400 -0.027 0.000 2.216 1157 D HA -0.018 4.622 4.640 -0.000 0.000 0.208 1157 D C 1.524 177.815 176.300 -0.015 0.000 0.960 1157 D CA 0.693 54.681 54.000 -0.021 0.000 0.861 1157 D CB 0.277 41.064 40.800 -0.022 0.000 0.985 1157 D HN 0.070 nan 8.370 nan 0.000 0.493 1158 K N 0.288 120.679 120.400 -0.015 0.000 2.155 1158 K HA 0.070 4.390 4.320 -0.000 0.000 0.203 1158 K C 1.859 178.455 176.600 -0.007 0.000 1.052 1158 K CA 0.479 56.760 56.287 -0.010 0.000 0.948 1158 K CB 0.292 32.786 32.500 -0.010 0.000 0.728 1158 K HN 0.097 nan 8.250 nan 0.000 0.448 1159 L N 0.703 121.923 121.223 -0.006 0.000 2.592 1159 L HA 0.109 4.449 4.340 -0.000 0.000 0.227 1159 L C 1.461 178.330 176.870 -0.001 0.000 1.127 1159 L CA 0.148 54.988 54.840 -0.000 0.000 0.884 1159 L CB 0.168 42.231 42.059 0.006 0.000 1.065 1159 L HN 0.139 nan 8.230 nan 0.000 0.457 1160 L N -1.236 119.983 121.223 -0.006 0.000 2.624 1160 L HA 0.472 4.812 4.340 -0.000 0.000 0.222 1160 L C 0.762 177.628 176.870 -0.007 0.000 1.046 1160 L CA 0.294 55.129 54.840 -0.007 0.000 0.872 1160 L CB 0.438 42.490 42.059 -0.011 0.000 1.190 1160 L HN 0.228 nan 8.230 nan 0.000 0.487 1161 G N 0.367 109.162 108.800 -0.008 0.000 2.525 1161 G HA2 0.052 4.012 3.960 -0.000 0.000 0.685 1161 G HA3 0.052 4.012 3.960 -0.000 0.000 0.685 1161 G C -1.403 173.492 174.900 -0.008 0.000 1.285 1161 G CA -0.876 44.219 45.100 -0.007 0.000 0.849 1161 G HN -0.181 nan 8.290 nan 0.000 0.653 1162 V N 1.891 121.801 119.914 -0.007 0.000 2.482 1162 V HA 0.638 4.758 4.120 -0.000 0.000 0.295 1162 V C -1.230 174.860 176.094 -0.006 0.000 1.026 1162 V CA -0.786 61.509 62.300 -0.007 0.000 0.856 1162 V CB 1.994 33.812 31.823 -0.007 0.000 1.001 1162 V HN 0.738 nan 8.190 nan 0.000 0.424 1163 D N 4.119 124.515 120.400 -0.006 0.000 2.575 1163 D HA 0.652 5.292 4.640 -0.000 0.000 0.250 1163 D C -0.238 176.058 176.300 -0.006 0.000 1.279 1163 D CA 0.013 54.009 54.000 -0.005 0.000 0.925 1163 D CB 2.175 42.972 40.800 -0.005 0.000 1.261 1163 D HN 0.690 nan 8.370 nan 0.000 0.567 1164 A N 2.371 125.188 122.820 -0.005 0.000 2.324 1164 A HA 0.677 4.997 4.320 -0.000 0.000 0.330 1164 A C 0.032 177.614 177.584 -0.004 0.000 1.165 1164 A CA -0.520 51.514 52.037 -0.005 0.000 0.813 1164 A CB 1.567 20.565 19.000 -0.005 0.000 1.197 1164 A HN 0.410 nan 8.150 nan 0.000 0.484 1165 E N -0.025 120.172 120.200 -0.004 0.000 2.359 1165 E HA 0.704 5.054 4.350 -0.000 0.000 0.266 1165 E C -1.252 175.346 176.600 -0.003 0.000 0.920 1165 E CA -0.679 55.718 56.400 -0.004 0.000 0.788 1165 E CB 2.171 31.869 29.700 -0.004 0.000 1.279 1165 E HN 0.624 nan 8.360 nan 0.000 0.438 1166 S N -0.269 115.429 115.700 -0.003 0.000 2.596 1166 S HA 0.300 4.770 4.470 -0.000 0.000 0.305 1166 S C -0.791 173.808 174.600 -0.003 0.000 1.086 1166 S CA -0.425 57.773 58.200 -0.003 0.000 0.909 1166 S CB 0.921 64.120 63.200 -0.003 0.000 1.106 1166 S HN 0.624 nan 8.310 nan 0.000 0.450 1167 G N 3.029 111.827 108.800 -0.002 0.000 3.102 1167 G HA2 0.376 4.336 3.960 -0.000 0.000 0.264 1167 G HA3 0.376 4.336 3.960 -0.000 0.000 0.264 1167 G C 0.316 175.215 174.900 -0.002 0.000 0.788 1167 G CA -0.223 44.876 45.100 -0.002 0.000 2.029 1167 G HN 0.702 nan 8.290 nan 0.000 0.608 1168 K N -0.160 120.239 120.400 -0.002 0.000 2.612 1168 K HA 0.131 4.451 4.320 -0.000 0.000 0.199 1168 K C -0.287 176.311 176.600 -0.002 0.000 1.520 1168 K CA -0.047 56.239 56.287 -0.002 0.000 1.039 1168 K CB 1.252 33.751 32.500 -0.002 0.000 1.286 1168 K HN 0.357 nan 8.250 nan 0.000 0.622 1169 T N -0.606 113.947 114.554 -0.002 0.000 2.770 1169 T HA 0.247 4.597 4.350 -0.000 0.000 0.323 1169 T C -0.652 174.047 174.700 -0.003 0.000 1.683 1169 T CA -0.749 61.350 62.100 -0.002 0.000 1.024 1169 T CB 2.422 71.289 68.868 -0.002 0.000 1.557 1169 T HN -0.146 nan 8.240 nan 0.000 0.494 1170 K N -0.093 120.306 120.400 -0.003 0.000 3.332 1170 K HA 0.739 5.059 4.320 -0.000 0.000 0.254 1170 K C 0.819 177.417 176.600 -0.003 0.000 1.304 1170 K CA 0.137 56.422 56.287 -0.003 0.000 1.215 1170 K CB 0.589 33.087 32.500 -0.003 0.000 2.064 1170 K HN 0.855 nan 8.250 nan 0.000 0.423 1171 G N -0.447 108.351 108.800 -0.003 0.000 2.470 1171 G HA2 0.355 4.315 3.960 -0.000 0.000 0.145 1171 G HA3 0.355 4.315 3.960 -0.000 0.000 0.145 1171 G C -1.335 173.563 174.900 -0.003 0.000 1.223 1171 G CA -0.352 44.745 45.100 -0.004 0.000 1.058 1171 G HN 0.641 nan 8.290 nan 0.000 0.469 1172 G N -1.582 107.216 108.800 -0.004 0.000 2.616 1172 G HA2 0.673 4.633 3.960 -0.000 0.000 0.294 1172 G HA3 0.673 4.633 3.960 -0.000 0.000 0.294 1172 G C -0.531 174.368 174.900 -0.003 0.000 1.489 1172 G CA 0.540 45.638 45.100 -0.003 0.000 0.836 1172 G HN 1.748 nan 8.290 nan 0.000 0.527 1173 G N -0.021 108.778 108.800 -0.002 0.000 2.468 1173 G HA2 0.488 4.448 3.960 -0.000 0.000 0.320 1173 G HA3 0.488 4.448 3.960 -0.000 0.000 0.320 1173 G C 0.433 175.333 174.900 -0.000 0.000 1.137 1173 G CA 0.333 45.432 45.100 -0.002 0.000 0.984 1173 G HN 1.179 nan 8.290 nan 0.000 0.462 1174 S N 2.085 117.785 115.700 -0.000 0.000 2.811 1174 S HA -0.053 4.417 4.470 -0.000 0.000 0.325 1174 S C 1.337 175.938 174.600 0.003 0.000 1.224 1174 S CA 0.309 58.509 58.200 0.001 0.000 1.125 1174 S CB 0.333 63.533 63.200 0.001 0.000 0.867 1174 S HN 0.695 nan 8.310 nan 0.000 0.512 1175 Q N 3.235 123.036 119.800 0.002 0.000 2.324 1175 Q HA 0.104 4.444 4.340 -0.000 0.000 0.207 1175 Q C 0.834 176.835 176.000 0.003 0.000 0.928 1175 Q CA 0.098 55.902 55.803 0.003 0.000 0.890 1175 Q CB 0.016 28.756 28.738 0.002 0.000 1.001 1175 Q HN 0.737 nan 8.270 nan 0.000 0.517 1176 S N 3.167 118.867 115.700 0.001 0.000 3.106 1176 S HA -0.027 4.443 4.470 -0.000 0.000 0.363 1176 S C -1.483 173.118 174.600 0.002 0.000 1.191 1176 S CA -0.918 57.283 58.200 0.001 0.000 1.191 1176 S CB 0.497 63.697 63.200 -0.001 0.000 0.884 1176 S HN 0.116 nan 8.310 nan 0.000 0.526 1177 P HA -0.054 nan 4.420 nan 0.000 0.219 1177 P C 1.211 178.511 177.300 -0.000 0.000 1.146 1177 P CA 0.885 63.987 63.100 0.003 0.000 0.808 1177 P CB 0.006 31.709 31.700 0.004 0.000 0.779 1178 S N -0.224 115.474 115.700 -0.003 0.000 2.406 1178 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 1178 S C 1.784 176.377 174.600 -0.012 0.000 1.020 1178 S CA 0.428 58.623 58.200 -0.008 0.000 0.965 1178 S CB -0.957 62.239 63.200 -0.007 0.000 0.798 1178 S HN 0.076 nan 8.310 nan 0.000 0.488 1179 L N 1.469 122.687 121.223 -0.007 0.000 2.191 1179 L HA 0.038 4.378 4.340 -0.000 0.000 0.212 1179 L C 1.876 178.740 176.870 -0.010 0.000 1.103 1179 L CA 1.198 56.033 54.840 -0.008 0.000 0.769 1179 L CB -0.433 41.624 42.059 -0.004 0.000 0.908 1179 L HN 0.270 nan 8.230 nan 0.000 0.438 1180 L N -1.247 119.974 121.223 -0.004 0.000 2.095 1180 L HA -0.079 4.261 4.340 -0.000 0.000 0.204 1180 L C 2.136 178.988 176.870 -0.030 0.000 1.080 1180 L CA 1.610 56.454 54.840 0.007 0.000 0.759 1180 L CB -0.439 41.637 42.059 0.028 0.000 0.914 1180 L HN 0.233 nan 8.230 nan 0.000 0.439 1181 L N -0.571 120.626 121.223 -0.044 0.000 2.201 1181 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 1181 L C 2.470 179.269 176.870 -0.119 0.000 1.105 1181 L CA 1.226 56.013 54.840 -0.089 0.000 0.775 1181 L CB -0.441 41.586 42.059 -0.054 0.000 0.913 1181 L HN 0.432 nan 8.230 nan 0.000 0.440 1182 E N 0.460 120.616 120.200 -0.075 0.000 2.152 1182 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 1182 E C 2.164 178.715 176.600 -0.082 0.000 0.983 1182 E CA 0.636 57.000 56.400 -0.060 0.000 0.818 1182 E CB 0.108 29.792 29.700 -0.028 0.000 0.758 1182 E HN 0.313 nan 8.360 nan 0.000 0.467 1183 L N 1.144 122.309 121.223 -0.097 0.000 2.141 1183 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 1183 L C 2.348 179.070 176.870 -0.247 0.000 1.094 1183 L CA 1.593 56.378 54.840 -0.091 0.000 0.763 1183 L CB -0.279 41.778 42.059 -0.005 0.000 0.908 1183 L HN -0.014 nan 8.230 nan 0.000 0.437 1184 R N -1.337 118.864 120.500 -0.497 0.000 2.090 1184 R HA -0.158 4.182 4.340 -0.000 0.000 0.228 1184 R C 2.267 178.327 176.300 -0.400 0.000 1.110 1184 R CA 1.201 56.755 56.100 -0.911 0.000 0.973 1184 R CB -0.115 29.635 30.300 -0.916 0.000 0.869 1184 R HN 0.358 nan 8.270 nan 0.000 0.440 1185 Q N 0.713 120.386 119.800 -0.212 0.000 2.123 1185 Q HA 0.027 4.367 4.340 -0.000 0.000 0.199 1185 Q C 1.853 177.862 176.000 0.015 0.000 0.966 1185 Q CA 1.374 57.127 55.803 -0.085 0.000 0.845 1185 Q CB -0.021 28.690 28.738 -0.044 0.000 0.907 1185 Q HN 0.424 nan 8.270 nan 0.000 0.439 1186 I N 0.716 121.309 120.570 0.037 0.000 2.423 1186 I HA -0.263 3.907 4.170 -0.000 0.000 0.254 1186 I C 1.073 177.334 176.117 0.241 0.000 1.151 1186 I CA 1.154 62.551 61.300 0.162 0.000 1.421 1186 I CB -0.208 37.835 38.000 0.072 0.000 1.079 1186 I HN 0.201 nan 8.210 nan 0.000 0.431 1187 D N 0.772 121.254 120.400 0.137 0.000 2.213 1187 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 1187 D C 2.240 178.590 176.300 0.083 0.000 0.961 1187 D CA 1.170 55.267 54.000 0.163 0.000 0.853 1187 D CB 0.120 41.017 40.800 0.162 0.000 0.967 1187 D HN 0.300 nan 8.370 nan 0.000 0.496 1188 A N 1.264 124.093 122.820 0.014 0.000 1.872 1188 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 1188 A C 1.845 179.509 177.584 0.134 0.000 1.187 1188 A CA 1.296 53.298 52.037 -0.058 0.000 0.614 1188 A CB -0.250 18.632 19.000 -0.196 0.000 0.826 1188 A HN -0.030 nan 8.150 nan 0.000 0.442 1189 D N -0.392 120.098 120.400 0.149 0.000 2.078 1189 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 1189 D C 1.456 177.817 176.300 0.103 0.000 0.990 1189 D CA 1.200 55.282 54.000 0.138 0.000 0.827 1189 D CB -0.609 40.267 40.800 0.127 0.000 0.975 1189 D HN 0.388 nan 8.370 nan 0.000 0.451 1190 F N 0.210 120.148 119.950 -0.021 0.000 2.481 1190 F HA -0.117 4.410 4.527 0.000 0.000 0.297 1190 F C 2.231 177.938 175.800 -0.154 0.000 1.095 1190 F CA 0.644 58.578 58.000 -0.110 0.000 1.465 1190 F CB -0.080 38.790 39.000 -0.217 0.000 1.098 1190 F HN -0.029 nan 8.300 nan 0.000 0.585 1191 M N -1.775 117.869 119.600 0.074 0.000 2.534 1191 M HA 0.058 4.538 4.480 -0.000 0.000 0.263 1191 M C 2.065 178.368 176.300 0.006 0.000 1.152 1191 M CA 0.701 56.022 55.300 0.034 0.000 1.145 1191 M CB -0.776 31.887 32.600 0.104 0.000 1.333 1191 M HN 0.223 nan 8.290 nan 0.000 0.477 1192 L N 0.838 122.083 121.223 0.036 0.000 2.131 1192 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 1192 L C 1.968 178.754 176.870 -0.139 0.000 1.087 1192 L CA 1.835 56.617 54.840 -0.096 0.000 0.767 1192 L CB -0.503 41.508 42.059 -0.080 0.000 0.917 1192 L HN 0.127 nan 8.230 nan 0.000 0.441 1193 K N -1.094 119.208 120.400 -0.164 0.000 2.280 1193 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 1193 K C 1.759 178.199 176.600 -0.265 0.000 1.047 1193 K CA 1.222 57.373 56.287 -0.228 0.000 0.942 1193 K CB -0.077 32.217 32.500 -0.343 0.000 0.739 1193 K HN 0.280 nan 8.250 nan 0.000 0.457 1194 V N 0.906 120.651 119.914 -0.282 0.000 2.878 1194 V HA -0.096 4.024 4.120 -0.000 0.000 0.250 1194 V C 1.957 177.904 176.094 -0.246 0.000 1.075 1194 V CA 1.146 63.204 62.300 -0.405 0.000 1.096 1194 V CB -0.161 31.425 31.823 -0.395 0.000 0.724 1194 V HN 0.258 nan 8.190 nan 0.000 0.467 1195 E N 0.558 120.659 120.200 -0.165 0.000 2.015 1195 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 1195 E C 2.253 178.801 176.600 -0.087 0.000 0.991 1195 E CA 1.393 57.725 56.400 -0.113 0.000 0.802 1195 E CB -0.151 29.475 29.700 -0.123 0.000 0.759 1195 E HN 0.478 nan 8.360 nan 0.000 0.447 1196 L N 0.636 121.802 121.223 -0.095 0.000 1.970 1196 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 1196 L C 2.730 179.593 176.870 -0.012 0.000 1.071 1196 L CA 1.225 56.031 54.840 -0.057 0.000 0.751 1196 L CB -0.799 41.214 42.059 -0.077 0.000 0.889 1196 L HN 0.138 nan 8.230 nan 0.000 0.432 1197 A N 0.470 123.266 122.820 -0.041 0.000 1.958 1197 A HA -0.278 4.042 4.320 -0.000 0.000 0.221 1197 A C 2.408 180.058 177.584 0.110 0.000 1.178 1197 A CA 2.772 54.834 52.037 0.042 0.000 0.642 1197 A CB -1.097 17.896 19.000 -0.012 0.000 0.816 1197 A HN 0.622 nan 8.150 nan 0.000 0.453 1198 T N -4.393 110.195 114.554 0.056 0.000 2.978 1198 T HA -0.040 4.310 4.350 -0.000 0.000 0.262 1198 T C 1.768 176.487 174.700 0.031 0.000 1.063 1198 T CA 1.641 63.785 62.100 0.074 0.000 1.140 1198 T CB -0.671 68.230 68.868 0.055 0.000 0.886 1198 T HN 0.316 nan 8.240 nan 0.000 0.470 1199 T N 1.137 115.707 114.554 0.026 0.000 2.737 1199 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 1199 T C 1.757 176.484 174.700 0.045 0.000 1.038 1199 T CA 1.792 63.906 62.100 0.023 0.000 1.144 1199 T CB -0.554 68.324 68.868 0.018 0.000 0.866 1199 T HN 0.677 nan 8.240 nan 0.000 0.434 1200 H N 0.737 119.798 119.070 -0.015 0.000 2.389 1200 H HA 0.089 4.645 4.556 -0.000 0.000 0.299 1200 H C 1.953 177.274 175.328 -0.012 0.000 1.081 1200 H CA 0.913 56.955 56.048 -0.010 0.000 1.345 1200 H CB -0.539 29.219 29.762 -0.007 0.000 1.393 1200 H HN 0.148 nan 8.280 nan 0.000 0.520 1201 L N 0.023 121.189 121.223 -0.096 0.000 2.265 1201 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 1201 L C 2.091 178.851 176.870 -0.185 0.000 1.117 1201 L CA 1.393 56.133 54.840 -0.166 0.000 0.782 1201 L CB -0.639 41.390 42.059 -0.050 0.000 0.914 1201 L HN 0.241 nan 8.230 nan 0.000 0.441 1202 S N -1.368 114.257 115.700 -0.125 0.000 2.345 1202 S HA -0.152 4.318 4.470 -0.000 0.000 0.219 1202 S C 1.786 176.320 174.600 -0.110 0.000 1.031 1202 S CA 1.615 59.754 58.200 -0.101 0.000 0.984 1202 S CB -0.526 62.642 63.200 -0.054 0.000 0.874 1202 S HN 0.531 nan 8.310 nan 0.000 0.451 1203 T N 2.587 117.072 114.554 -0.115 0.000 2.624 1203 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 1203 T C 1.873 176.495 174.700 -0.129 0.000 1.041 1203 T CA 1.881 63.922 62.100 -0.098 0.000 1.159 1203 T CB -0.437 68.383 68.868 -0.079 0.000 0.863 1203 T HN 0.194 nan 8.240 nan 0.000 0.434 1204 M N 1.048 120.495 119.600 -0.255 0.000 2.073 1204 M HA -0.100 4.380 4.480 -0.000 0.000 0.258 1204 M C 2.191 178.426 176.300 -0.107 0.000 1.070 1204 M CA 1.475 56.651 55.300 -0.207 0.000 1.103 1204 M CB -0.797 31.615 32.600 -0.312 0.000 1.321 1204 M HN 0.101 nan 8.290 nan 0.000 0.405 1205 V N 0.276 120.098 119.914 -0.153 0.000 2.295 1205 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 1205 V C 2.411 178.525 176.094 0.034 0.000 1.049 1205 V CA 2.094 64.320 62.300 -0.124 0.000 1.024 1205 V CB -0.819 30.841 31.823 -0.271 0.000 0.648 1205 V HN 0.469 nan 8.190 nan 0.000 0.447 1206 R N 0.050 120.554 120.500 0.007 0.000 2.096 1206 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 1206 R C 2.413 178.757 176.300 0.074 0.000 1.127 1206 R CA 1.452 57.582 56.100 0.049 0.000 0.968 1206 R CB -0.593 29.721 30.300 0.022 0.000 0.861 1206 R HN 0.559 nan 8.270 nan 0.000 0.440 1207 A N 0.867 123.720 122.820 0.054 0.000 1.855 1207 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 1207 A C 2.371 180.025 177.584 0.117 0.000 1.191 1207 A CA 1.426 53.505 52.037 0.071 0.000 0.613 1207 A CB -0.610 18.418 19.000 0.046 0.000 0.829 1207 A HN 0.109 nan 8.150 nan 0.000 0.442 1208 V N 0.524 120.525 119.914 0.145 0.000 2.469 1208 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 1208 V C 2.374 178.616 176.094 0.247 0.000 1.064 1208 V CA 1.932 64.360 62.300 0.213 0.000 1.066 1208 V CB -0.869 31.132 31.823 0.296 0.000 0.667 1208 V HN 0.549 nan 8.190 nan 0.000 0.461 1209 I N 0.735 121.447 120.570 0.237 0.000 2.142 1209 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 1209 I C 2.494 178.742 176.117 0.219 0.000 1.078 1209 I CA 2.191 63.622 61.300 0.217 0.000 1.343 1209 I CB -0.589 37.524 38.000 0.189 0.000 1.046 1209 I HN 0.425 nan 8.210 nan 0.000 0.405 1210 N N 1.495 120.297 118.700 0.170 0.000 2.043 1210 N HA -0.193 4.547 4.740 -0.000 0.000 0.193 1210 N C 1.859 177.464 175.510 0.158 0.000 1.037 1210 N CA 1.978 55.116 53.050 0.147 0.000 0.851 1210 N CB -0.197 38.354 38.487 0.106 0.000 1.027 1210 N HN 0.299 nan 8.380 nan 0.000 0.422 1211 A N -0.904 122.010 122.820 0.156 0.000 1.948 1211 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 1211 A C 2.233 179.919 177.584 0.170 0.000 1.177 1211 A CA 1.581 53.703 52.037 0.141 0.000 0.636 1211 A CB -1.235 17.846 19.000 0.135 0.000 0.815 1211 A HN 0.655 nan 8.150 nan 0.000 0.449 1212 Y N 0.199 120.567 120.300 0.113 0.000 2.153 1212 Y HA -0.032 4.518 4.550 0.000 0.000 0.289 1212 Y C 1.934 177.953 175.900 0.199 0.000 1.127 1212 Y CA 1.656 59.834 58.100 0.131 0.000 1.131 1212 Y CB -0.283 38.232 38.460 0.092 0.000 0.995 1212 Y HN 0.170 nan 8.280 nan 0.000 0.505 1213 L N 0.046 121.487 121.223 0.363 0.000 2.263 1213 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 1213 L C 2.064 179.113 176.870 0.298 0.000 1.111 1213 L CA 1.036 56.055 54.840 0.299 0.000 0.773 1213 L CB -0.493 41.720 42.059 0.257 0.000 0.906 1213 L HN 0.396 nan 8.230 nan 0.000 0.439 1214 L N -1.003 120.320 121.223 0.166 0.000 2.130 1214 L HA -0.019 4.321 4.340 -0.000 0.000 0.200 1214 L C 1.768 178.619 176.870 -0.031 0.000 1.075 1214 L CA 0.730 55.621 54.840 0.085 0.000 0.768 1214 L CB -0.329 41.761 42.059 0.053 0.000 0.933 1214 L HN 0.288 nan 8.230 nan 0.000 0.451 1215 N N 0.162 118.824 118.700 -0.064 0.000 2.398 1215 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 1215 N C 1.646 176.998 175.510 -0.263 0.000 1.122 1215 N CA 0.343 53.298 53.050 -0.158 0.000 0.866 1215 N CB 0.090 38.524 38.487 -0.088 0.000 0.970 1215 N HN 0.561 nan 8.380 nan 0.000 0.462 1216 W N 2.471 123.533 121.300 -0.397 0.000 2.308 1216 W HA -0.160 4.500 4.660 -0.000 0.000 0.301 1216 W C 1.069 177.425 176.519 -0.272 0.000 1.220 1216 W CA 0.544 57.578 57.345 -0.519 0.000 1.240 1216 W CB -0.795 28.214 29.460 -0.752 0.000 1.142 1216 W HN -0.029 nan 8.180 nan 0.000 0.521 1217 K N 0.666 120.310 120.400 -1.260 0.000 2.032 1217 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 1217 K C 2.147 178.470 176.600 -0.462 0.000 1.048 1217 K CA 1.785 57.428 56.287 -1.074 0.000 0.927 1217 K CB -0.282 31.580 32.500 -1.064 0.000 0.712 1217 K HN -0.078 nan 8.250 nan 0.000 0.441 1218 K N 1.039 121.225 120.400 -0.357 0.000 2.211 1218 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 1218 K C 2.077 178.594 176.600 -0.139 0.000 1.050 1218 K CA 0.811 56.975 56.287 -0.205 0.000 0.945 1218 K CB -0.177 32.225 32.500 -0.164 0.000 0.732 1218 K HN 0.211 nan 8.250 nan 0.000 0.451 1219 L N 0.402 121.545 121.223 -0.134 0.000 2.093 1219 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 1219 L C 2.098 178.953 176.870 -0.025 0.000 1.085 1219 L CA 0.771 55.574 54.840 -0.063 0.000 0.755 1219 L CB -0.300 41.734 42.059 -0.042 0.000 0.904 1219 L HN 0.067 nan 8.230 nan 0.000 0.435 1220 I N -1.227 119.333 120.570 -0.017 0.000 2.494 1220 I HA -0.055 4.115 4.170 -0.000 0.000 0.250 1220 I C 0.997 177.103 176.117 -0.018 0.000 1.112 1220 I CA 0.897 62.209 61.300 0.019 0.000 1.438 1220 I CB -0.442 37.607 38.000 0.081 0.000 1.111 1220 I HN 0.251 nan 8.210 nan 0.000 0.431 1221 Q N 2.084 121.846 119.800 -0.063 0.000 2.706 1221 Q HA 0.238 4.578 4.340 -0.000 0.000 0.250 1221 Q C -1.621 174.333 176.000 -0.076 0.000 1.120 1221 Q CA -1.663 54.100 55.803 -0.066 0.000 0.972 1221 Q CB 1.207 29.894 28.738 -0.085 0.000 1.173 1221 Q HN 0.266 nan 8.270 nan 0.000 0.522 1222 P HA -0.120 nan 4.420 nan 0.000 0.218 1222 P C -0.056 177.214 177.300 -0.049 0.000 1.149 1222 P CA 0.891 63.958 63.100 -0.055 0.000 0.817 1222 P CB 0.724 32.398 31.700 -0.043 0.000 0.785 1223 R N -0.423 120.051 120.500 -0.044 0.000 2.628 1223 R HA 0.425 4.765 4.340 -0.000 0.000 0.288 1223 R C -0.384 175.890 176.300 -0.043 0.000 0.980 1223 R CA -0.403 55.672 56.100 -0.042 0.000 0.891 1223 R CB 1.836 32.115 30.300 -0.035 0.000 1.188 1223 R HN -0.075 nan 8.270 nan 0.000 0.450 1224 T N -0.659 113.868 114.554 -0.045 0.000 2.963 1224 T HA 0.377 4.727 4.350 -0.000 0.000 0.343 1224 T C 0.588 175.262 174.700 -0.044 0.000 1.146 1224 T CA -0.835 61.240 62.100 -0.041 0.000 1.016 1224 T CB 1.184 70.029 68.868 -0.039 0.000 1.046 1224 T HN 0.658 nan 8.240 nan 0.000 0.496 1225 G N 1.987 110.759 108.800 -0.048 0.000 2.414 1225 G HA2 0.423 4.383 3.960 -0.000 0.000 0.236 1225 G HA3 0.423 4.383 3.960 -0.000 0.000 0.236 1225 G C 0.114 174.956 174.900 -0.097 0.000 1.293 1225 G CA -0.250 44.809 45.100 -0.067 0.000 0.869 1225 G HN 1.661 nan 8.290 nan 0.000 0.556 1226 S N 0.367 115.959 115.700 -0.179 0.000 2.465 1226 S HA 0.145 4.615 4.470 -0.000 0.000 0.186 1226 S C -1.428 172.804 174.600 -0.613 0.000 0.839 1226 S CA -0.952 57.007 58.200 -0.401 0.000 1.037 1226 S CB 0.796 63.843 63.200 -0.254 0.000 1.407 1226 S HN 0.399 nan 8.310 nan 0.000 0.396 1227 D N 2.806 122.930 120.400 -0.460 0.000 2.500 1227 D HA 0.337 4.977 4.640 -0.000 0.000 0.219 1227 D C 0.858 176.995 176.300 -0.273 0.000 1.137 1227 D CA -0.404 53.416 54.000 -0.300 0.000 0.946 1227 D CB 0.303 41.017 40.800 -0.143 0.000 1.022 1227 D HN 0.559 nan 8.370 nan 0.000 0.518 1228 H N 1.081 120.144 119.070 -0.012 0.000 2.582 1228 H HA 0.148 4.704 4.556 0.000 0.000 0.269 1228 H C 1.521 176.843 175.328 -0.010 0.000 0.962 1228 H CA 0.477 56.518 56.048 -0.011 0.000 1.230 1228 H CB 0.340 30.095 29.762 -0.012 0.000 1.445 1228 H HN 0.351 nan 8.280 nan 0.000 0.528 1229 M N 0.615 120.256 119.600 0.069 0.000 2.134 1229 M HA 0.012 4.492 4.480 -0.000 0.000 0.262 1229 M C 0.765 177.075 176.300 0.017 0.000 1.076 1229 M CA 0.600 55.923 55.300 0.039 0.000 1.143 1229 M CB 0.200 32.811 32.600 0.020 0.000 1.346 1229 M HN -0.180 nan 8.290 nan 0.000 0.421 1230 V N 1.570 121.482 119.914 -0.003 0.000 2.686 1230 V HA 0.311 4.431 4.120 -0.000 0.000 0.295 1230 V C 0.258 176.350 176.094 -0.003 0.000 1.055 1230 V CA -0.284 62.011 62.300 -0.008 0.000 1.050 1230 V CB 0.672 32.483 31.823 -0.020 0.000 0.984 1230 V HN 0.609 nan 8.190 nan 0.000 0.482 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 58.202 58.200 0.002 0.000 1.107 1231 S CB 0.000 63.206 63.200 0.011 0.000 0.593 1231 S HN 0.000 nan 8.310 nan 0.000 0.517