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_h 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 1.329 178.633 177.300 0.006 0.000 1.168 1003 P CA 0.665 63.769 63.100 0.005 0.000 0.793 1003 P CB 0.961 32.664 31.700 0.005 0.000 0.851 1004 K N 0.556 120.960 120.400 0.007 0.000 2.137 1004 K HA 0.030 4.350 4.320 -0.000 0.000 0.202 1004 K C 2.286 178.890 176.600 0.008 0.000 1.052 1004 K CA 0.424 56.715 56.287 0.007 0.000 0.961 1004 K CB 0.056 32.560 32.500 0.007 0.000 0.741 1004 K HN -0.121 nan 8.250 nan 0.000 0.452 1005 R N 0.063 120.567 120.500 0.007 0.000 2.148 1005 R HA -0.035 4.305 4.340 -0.000 0.000 0.227 1005 R C 2.210 178.515 176.300 0.008 0.000 1.103 1005 R CA 1.122 57.227 56.100 0.008 0.000 0.983 1005 R CB -0.172 30.133 30.300 0.007 0.000 0.874 1005 R HN 0.195 nan 8.270 nan 0.000 0.451 1006 A N 1.071 123.895 122.820 0.008 0.000 1.929 1006 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 1006 A C 2.311 179.902 177.584 0.011 0.000 1.176 1006 A CA 1.321 53.363 52.037 0.009 0.000 0.628 1006 A CB -0.477 18.527 19.000 0.007 0.000 0.816 1006 A HN 0.357 nan 8.150 nan 0.000 0.444 1007 A N 0.222 123.049 122.820 0.011 0.000 1.845 1007 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 1007 A C 2.147 179.741 177.584 0.015 0.000 1.195 1007 A CA 1.529 53.573 52.037 0.013 0.000 0.616 1007 A CB -0.834 18.173 19.000 0.012 0.000 0.832 1007 A HN 0.455 nan 8.150 nan 0.000 0.443 1008 L N -0.467 120.765 121.223 0.014 0.000 1.997 1008 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 1008 L C 2.553 179.433 176.870 0.017 0.000 1.074 1008 L CA 1.822 56.672 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 0.416 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 2.624 178.753 176.117 0.020 0.000 1.133 1009 I CA 0.900 62.209 61.300 0.015 0.000 1.413 1009 I CB -0.197 37.810 38.000 0.011 0.000 1.073 1009 I HN 0.359 nan 8.210 nan 0.000 0.424 1010 Q N 1.568 121.381 119.800 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 1.781 57.598 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 0.182 118.901 118.700 0.032 0.000 2.137 1011 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 1011 N C 1.790 177.335 175.510 0.059 0.000 1.017 1011 N CA 1.136 54.210 53.050 0.040 0.000 0.859 1011 N CB -0.380 38.128 38.487 0.035 0.000 1.002 1011 N HN 0.280 nan 8.380 nan 0.000 0.428 1012 L N 0.992 122.247 121.223 0.054 0.000 1.989 1012 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 1012 L C 2.266 179.194 176.870 0.097 0.000 1.071 1012 L CA 1.384 56.264 54.840 0.066 0.000 0.749 1012 L CB -0.164 41.911 42.059 0.028 0.000 0.890 1012 L HN 0.147 nan 8.230 nan 0.000 0.431 1013 R N -0.551 119.992 120.500 0.071 0.000 2.280 1013 R HA -0.091 4.249 4.340 -0.000 0.000 0.207 1013 R C 1.302 177.656 176.300 0.091 0.000 1.043 1013 R CA 0.633 56.783 56.100 0.082 0.000 1.006 1013 R CB -0.105 30.227 30.300 0.054 0.000 0.885 1013 R HN 0.433 nan 8.270 nan 0.000 0.467 1014 D N -0.446 120.002 120.400 0.079 0.000 2.305 1014 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 1014 D C 1.418 177.751 176.300 0.055 0.000 0.974 1014 D CA 0.764 54.798 54.000 0.057 0.000 0.871 1014 D CB 0.329 41.152 40.800 0.038 0.000 0.947 1014 D HN 0.015 nan 8.370 nan 0.000 0.516 1015 S N -0.160 115.602 115.700 0.104 0.000 2.406 1015 S HA -0.074 4.396 4.470 -0.000 0.000 0.228 1015 S C 0.252 174.837 174.600 -0.026 0.000 1.020 1015 S CA 0.585 58.833 58.200 0.080 0.000 0.965 1015 S CB 0.086 63.424 63.200 0.230 0.000 0.798 1015 S HN 0.238 nan 8.310 nan 0.000 0.488 1016 Y N 2.263 122.567 120.300 0.006 0.000 2.787 1016 Y HA 0.323 4.873 4.550 -0.000 0.000 0.352 1016 Y C 0.745 176.654 175.900 0.015 0.000 1.027 1016 Y CA -1.298 56.805 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 -3.211 111.400 114.554 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 0.083 0.000 0.944 1017 T CB 1.137 70.032 68.868 0.045 0.000 1.147 1017 T HN 0.478 nan 8.240 nan 0.000 0.534 1018 E N 0.037 120.295 120.200 0.097 0.000 2.204 1018 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 1018 E C 1.977 178.635 176.600 0.096 0.000 0.989 1018 E CA 1.235 57.709 56.400 0.124 0.000 0.824 1018 E CB -0.710 29.067 29.700 0.129 0.000 0.756 1018 E HN 0.782 nan 8.360 nan 0.000 0.477 1019 T N 0.390 114.979 114.554 0.058 0.000 2.788 1019 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 1019 T C 2.023 176.738 174.700 0.026 0.000 1.044 1019 T CA 1.409 63.546 62.100 0.062 0.000 1.139 1019 T CB -0.142 68.743 68.868 0.027 0.000 0.867 1019 T HN 0.110 nan 8.240 nan 0.000 0.454 1020 S N 1.874 117.569 115.700 -0.009 0.000 2.356 1020 S HA -0.137 4.333 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 1.524 59.684 58.200 -0.066 0.000 1.005 1020 S CB -0.451 62.703 63.200 -0.076 0.000 0.867 1020 S HN 0.765 nan 8.310 nan 0.000 0.449 1021 S N 1.127 116.796 115.700 -0.052 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 -0.299 0.000 1.022 1021 S CA 0.434 58.531 58.200 -0.171 0.000 0.958 1021 S CB -0.630 62.529 63.200 -0.068 0.000 0.797 1021 S HN 0.419 nan 8.310 nan 0.000 0.493 1022 F N 3.235 123.008 119.950 -0.295 0.000 2.234 1022 F HA 0.260 4.787 4.527 -0.000 0.000 0.299 1022 F C 2.393 178.002 175.800 -0.318 0.000 1.087 1022 F CA 0.183 57.987 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 -0.087 122.502 122.820 -0.384 0.000 1.902 1023 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 1023 A C 2.321 179.613 177.584 -0.486 0.000 1.181 1023 A CA 1.933 53.698 52.037 -0.453 0.000 0.623 1023 A CB -1.363 17.482 19.000 -0.260 0.000 0.818 1023 A HN 0.232 nan 8.150 nan 0.000 0.443 1024 V N 0.591 120.203 119.914 -0.504 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 63.542 62.300 -0.683 0.000 1.049 1024 V CB -0.697 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 0.040 120.113 120.570 -0.828 0.000 2.353 1025 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 1025 I C 2.499 178.377 176.117 -0.399 0.000 1.119 1025 I CA 1.402 62.319 61.300 -0.639 0.000 1.417 1025 I CB -1.147 36.564 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 -0.533 0.000 2.077 1026 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 1026 E C 2.020 178.498 176.600 -0.203 0.000 0.989 1026 E CA 1.209 57.371 56.400 -0.397 0.000 0.800 1026 E CB -0.023 29.345 29.700 -0.553 0.000 0.746 1026 E HN 0.329 nan 8.360 nan 0.000 0.452 1027 E N 0.457 120.536 120.200 -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 0.146 0.000 0.997 1027 E CA 1.330 57.706 56.400 -0.040 0.000 0.801 1027 E CB -0.267 29.413 29.700 -0.033 0.000 0.746 1027 E HN 0.288 nan 8.360 nan 0.000 0.450 1028 W N 0.577 121.803 121.300 -0.124 0.000 2.402 1028 W HA 0.140 4.800 4.660 -0.000 0.000 0.286 1028 W C 2.387 178.861 176.519 -0.075 0.000 1.221 1028 W CA 0.942 58.232 57.345 -0.092 0.000 1.257 1028 W CB -1.260 28.145 29.460 -0.091 0.000 1.120 1028 W HN 0.250 nan 8.180 nan 0.000 0.551 1029 A N 0.048 122.949 122.820 0.136 0.000 1.902 1029 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 1029 A C 2.106 179.713 177.584 0.037 0.000 1.181 1029 A CA 2.841 54.917 52.037 0.064 0.000 0.623 1029 A CB -0.859 18.146 19.000 0.009 0.000 0.818 1029 A HN 0.127 nan 8.150 nan 0.000 0.443 1030 A N -1.555 121.277 122.820 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 17.634 19.000 -0.013 0.000 1.400 1030 A HN 0.749 nan 8.150 nan 0.000 0.580 1031 G N -0.306 108.498 108.800 0.006 0.000 2.672 1031 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 1031 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 1031 G C 1.498 176.402 174.900 0.006 0.000 1.238 1031 G CA 2.180 47.282 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 0.961 63.048 62.100 -0.022 0.000 1.136 1032 T CB -0.137 68.709 68.868 -0.036 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 -0.070 4.270 4.340 -0.000 0.000 0.205 1033 L C 2.834 179.688 176.870 -0.028 0.000 1.079 1033 L CA 1.242 56.059 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 -0.571 119.220 119.800 -0.015 0.000 2.170 1034 Q HA -0.262 4.078 4.340 -0.000 0.000 0.203 1034 Q C 1.957 177.949 176.000 -0.014 0.000 0.976 1034 Q CA 1.457 57.253 55.803 -0.012 0.000 0.858 1034 Q CB -0.019 28.715 28.738 -0.007 0.000 0.907 1034 Q HN 0.288 nan 8.270 nan 0.000 0.433 1035 E N 1.294 121.483 120.200 -0.019 0.000 2.077 1035 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1035 E C 1.634 178.226 176.600 -0.015 0.000 0.989 1035 E CA 1.194 57.584 56.400 -0.018 0.000 0.800 1035 E CB -0.189 29.494 29.700 -0.027 0.000 0.746 1035 E HN 0.364 nan 8.360 nan 0.000 0.452 1036 I N 0.542 121.096 120.570 -0.028 0.000 2.226 1036 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 1036 I C 2.528 178.642 176.117 -0.005 0.000 1.100 1036 I CA 1.604 62.894 61.300 -0.016 0.000 1.374 1036 I CB -0.388 37.585 38.000 -0.046 0.000 1.057 1036 I HN 0.267 nan 8.210 nan 0.000 0.413 1037 E N 1.287 121.479 120.200 -0.012 0.000 2.265 1037 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 1037 E C 2.180 178.777 176.600 -0.004 0.000 0.996 1037 E CA 1.218 57.613 56.400 -0.008 0.000 0.832 1037 E CB -0.093 29.602 29.700 -0.009 0.000 0.756 1037 E HN 0.484 nan 8.360 nan 0.000 0.491 1038 G N 1.092 109.892 108.800 -0.002 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 0.551 45.652 45.100 0.002 0.000 0.794 1038 G HN 0.261 nan 8.290 nan 0.000 0.532 1039 I N 1.571 122.151 120.570 0.017 0.000 2.567 1039 I HA -0.140 4.030 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 -0.096 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 2.242 125.063 122.820 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 2.012 54.041 52.037 -0.015 0.000 0.616 1040 A CB -0.487 18.505 19.000 -0.013 0.000 0.832 1040 A HN 0.520 nan 8.150 nan 0.000 0.443 1041 K N -0.595 119.799 120.400 -0.010 0.000 2.365 1041 K HA 0.327 4.647 4.320 -0.000 0.000 0.197 1041 K C 1.858 178.458 176.600 -0.001 0.000 1.042 1041 K CA 0.944 57.227 56.287 -0.007 0.000 0.987 1041 K CB -0.263 32.234 32.500 -0.004 0.000 0.779 1041 K HN 0.260 nan 8.250 nan 0.000 0.484 1042 A N 1.885 124.705 122.820 0.000 0.000 1.933 1042 A HA 0.012 4.332 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 1.640 53.680 52.037 0.005 0.000 0.628 1042 A CB -0.495 18.510 19.000 0.008 0.000 0.814 1042 A HN 0.468 nan 8.150 nan 0.000 0.444 1043 A N -1.194 121.623 122.820 -0.006 0.000 2.238 1043 A HA 0.566 4.886 4.320 -0.000 0.000 0.210 1043 A C 2.132 179.726 177.584 0.017 0.000 1.179 1043 A CA 1.100 53.133 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 1.252 124.074 122.820 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 53.460 52.037 0.003 0.000 0.622 1044 A CB -0.443 18.547 19.000 -0.017 0.000 0.824 1044 A HN 0.683 nan 8.150 nan 0.000 0.444 1045 E N -0.213 120.011 120.200 0.040 0.000 2.216 1045 E HA 0.135 4.485 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 0.758 57.185 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 1.701 124.555 122.820 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 1.365 53.433 52.037 0.052 0.000 0.670 1046 A CB -0.792 18.229 19.000 0.036 0.000 0.804 1046 A HN 0.424 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 0.025 4.581 4.556 -0.000 0.000 0.286 1047 H C 2.079 177.415 175.328 0.013 0.000 1.017 1047 H CA 1.342 57.393 56.048 0.005 0.000 1.322 1047 H CB -0.169 29.587 29.762 -0.010 0.000 1.426 1047 H HN 0.398 nan 8.280 nan 0.000 0.546 1048 G N 0.430 109.320 108.800 0.150 0.000 2.421 1048 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 1048 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 1048 G C 1.825 176.744 174.900 0.031 0.000 1.143 1048 G CA 0.741 45.900 45.100 0.098 0.000 0.784 1048 G HN 0.302 nan 8.290 nan 0.000 0.541 1049 V N 1.544 121.474 119.914 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 1.571 63.884 62.300 0.022 0.000 1.015 1049 V CB -0.453 31.386 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 -0.238 3.932 4.170 -0.000 0.000 0.257 1050 I C 2.651 178.758 176.117 -0.015 0.000 1.184 1050 I CA 1.506 62.825 61.300 0.032 0.000 1.451 1050 I CB -0.471 37.517 38.000 -0.021 0.000 1.089 1050 I HN 0.268 nan 8.210 nan 0.000 0.441 1051 R N 1.451 121.905 120.500 -0.077 0.000 2.148 1051 R HA -0.055 4.285 4.340 -0.000 0.000 0.223 1051 R C 0.746 177.045 176.300 -0.002 0.000 1.088 1051 R CA 1.036 57.099 56.100 -0.063 0.000 0.985 1051 R CB 0.082 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 0.557 119.266 118.700 0.016 0.000 2.380 1052 N HA 0.114 4.854 4.740 -0.000 0.000 0.255 1052 N C -1.111 174.423 175.510 0.039 0.000 1.158 1052 N CA 0.057 53.122 53.050 0.026 0.000 0.878 1052 N CB 1.444 39.944 38.487 0.021 0.000 1.138 1052 N HN -0.008 nan 8.380 nan 0.000 0.509 1053 S N -0.511 115.231 115.700 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 57.722 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 2.568 117.186 114.554 0.107 0.000 2.770 1054 T HA 0.448 4.798 4.350 -0.000 0.000 0.283 1054 T C -1.279 173.506 174.700 0.142 0.000 0.988 1054 T CA -0.230 61.949 62.100 0.131 0.000 0.957 1054 T CB 0.168 69.071 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 0.945 176.841 175.900 -0.007 0.000 1.083 1055 Y CA -0.149 57.946 58.100 -0.008 0.000 1.206 1055 Y CB 1.220 39.675 38.460 -0.008 0.000 1.195 1055 Y HN 0.841 nan 8.280 nan 0.000 0.497 1056 G N 2.055 110.882 108.800 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 0.307 175.220 174.900 0.021 0.000 1.386 1056 G CA -0.914 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 -0.719 119.788 120.500 0.012 0.000 2.159 1057 R HA -0.096 4.244 4.340 -0.000 0.000 0.237 1057 R C 2.506 178.800 176.300 -0.010 0.000 1.131 1057 R CA 1.873 57.978 56.100 0.007 0.000 0.982 1057 R CB -0.402 29.900 30.300 0.003 0.000 0.868 1057 R HN 0.500 nan 8.270 nan 0.000 0.453 1058 A N 0.610 123.413 122.820 -0.029 0.000 1.940 1058 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 1058 A C 1.883 179.429 177.584 -0.064 0.000 1.176 1058 A CA 1.429 53.438 52.037 -0.046 0.000 0.631 1058 A CB -0.277 18.689 19.000 -0.057 0.000 0.814 1058 A HN 0.405 nan 8.150 nan 0.000 0.446 1059 Q N -0.763 118.979 119.800 -0.096 0.000 2.472 1059 Q HA 0.316 4.656 4.340 -0.000 0.000 0.208 1059 Q C 1.698 177.684 176.000 -0.024 0.000 0.958 1059 Q CA 0.859 56.587 55.803 -0.126 0.000 0.932 1059 Q CB -0.230 28.291 28.738 -0.361 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 0.037 4.356 4.320 -0.000 0.000 0.210 1060 A C 0.963 178.541 177.584 -0.009 0.000 1.179 1060 A CA 0.148 52.193 52.037 0.014 0.000 0.827 1060 A CB 0.243 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 -0.149 120.041 120.200 -0.017 0.000 2.437 1061 E HA 0.188 4.538 4.350 -0.000 0.000 0.195 1061 E C -0.220 176.366 176.600 -0.023 0.000 1.029 1061 E CA -0.031 56.357 56.400 -0.020 0.000 0.948 1061 E CB 0.227 29.915 29.700 -0.020 0.000 1.082 1061 E HN 0.408 nan 8.360 nan 0.000 0.456 1062 K N 0.251 120.637 120.400 -0.023 0.000 2.622 1062 K HA 0.211 4.531 4.320 -0.000 0.000 0.273 1062 K C -1.604 174.987 176.600 -0.015 0.000 0.957 1062 K CA -0.409 55.866 56.287 -0.021 0.000 0.861 1062 K CB 1.808 34.294 32.500 -0.023 0.000 1.405 1062 K HN -0.138 nan 8.250 nan 0.000 0.406 1063 S N 3.880 119.575 115.700 -0.009 0.000 2.438 1063 S HA 0.338 4.808 4.470 -0.000 0.000 0.293 1063 S C -2.458 172.164 174.600 0.037 0.000 1.141 1063 S CA -1.132 57.073 58.200 0.008 0.000 1.080 1063 S CB 1.102 64.298 63.200 -0.006 0.000 0.978 1063 S HN 0.402 nan 8.310 nan 0.000 0.479 1064 P HA 0.016 nan 4.420 nan 0.000 0.254 1064 P C 0.150 177.492 177.300 0.069 0.000 1.186 1064 P CA 0.247 63.385 63.100 0.063 0.000 0.868 1064 P CB 0.313 32.069 31.700 0.094 0.000 0.856 1065 E N 2.143 122.368 120.200 0.043 0.000 2.209 1065 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 1065 E C 1.910 178.533 176.600 0.038 0.000 0.993 1065 E CA 0.943 57.367 56.400 0.040 0.000 0.819 1065 E CB 0.009 29.724 29.700 0.025 0.000 0.745 1065 E HN 0.607 nan 8.360 nan 0.000 0.477 1066 Q N 0.833 120.652 119.800 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 1.016 56.835 55.803 0.026 0.000 0.840 1066 Q CB 0.054 28.805 28.738 0.022 0.000 0.898 1066 Q HN 0.314 nan 8.270 nan 0.000 0.430 1067 L N 0.316 121.558 121.223 0.032 0.000 2.056 1067 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 1067 L C 2.382 179.248 176.870 -0.006 0.000 1.078 1067 L CA 0.750 55.588 54.840 -0.004 0.000 0.749 1067 L CB -0.477 41.575 42.059 -0.012 0.000 0.901 1067 L HN 0.316 nan 8.230 nan 0.000 0.433 1068 L N -0.103 121.152 121.223 0.055 0.000 2.265 1068 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 1068 L C 2.563 179.462 176.870 0.049 0.000 1.117 1068 L CA 0.968 55.852 54.840 0.074 0.000 0.782 1068 L CB -0.980 41.136 42.059 0.095 0.000 0.914 1068 L HN 0.301 nan 8.230 nan 0.000 0.441 1069 G N -0.594 108.227 108.800 0.035 0.000 2.430 1069 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 1069 G HA3 -0.088 3.872 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 0.541 45.660 45.100 0.032 0.000 0.793 1069 G HN 0.159 nan 8.290 nan 0.000 0.537 1070 V N 0.900 120.826 119.914 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 1.004 63.316 62.300 0.021 0.000 1.021 1070 V CB -0.513 31.303 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 -0.258 4.082 4.340 -0.000 0.000 0.214 1071 L C 2.549 179.498 176.870 0.133 0.000 1.097 1071 L CA 1.585 56.464 54.840 0.066 0.000 0.764 1071 L CB -0.467 41.603 42.059 0.018 0.000 0.900 1071 L HN 0.426 nan 8.230 nan 0.000 0.436 1072 Q N 0.522 120.377 119.800 0.091 0.000 2.089 1072 Q HA -0.158 4.182 4.340 -0.000 0.000 0.195 1072 Q C 2.258 178.302 176.000 0.074 0.000 0.963 1072 Q CA 1.310 57.160 55.803 0.077 0.000 0.834 1072 Q CB -0.141 28.632 28.738 0.058 0.000 0.906 1072 Q HN 0.225 nan 8.270 nan 0.000 0.452 1073 R N -1.091 119.454 120.500 0.074 0.000 2.159 1073 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 1073 R C 1.903 178.256 176.300 0.088 0.000 1.131 1073 R CA 1.423 57.560 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 0.806 121.096 120.300 -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 1.761 59.846 58.100 -0.025 0.000 1.128 1074 Y CB -0.435 38.011 38.460 -0.023 0.000 1.005 1074 Y HN 0.065 nan 8.280 nan 0.000 0.509 1075 Q N 0.198 119.986 119.800 -0.020 0.000 2.197 1075 Q HA -0.244 4.096 4.340 -0.000 0.000 0.207 1075 Q C 1.474 177.393 176.000 -0.135 0.000 0.984 1075 Q CA 2.086 57.800 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 0.576 nan 8.270 nan 0.000 0.426 1076 D N 0.437 120.802 120.400 -0.060 0.000 2.097 1076 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 1076 D C 1.998 178.255 176.300 -0.073 0.000 0.984 1076 D CA 0.972 54.957 54.000 -0.025 0.000 0.826 1076 D CB -0.169 40.623 40.800 -0.013 0.000 0.973 1076 D HN 0.313 nan 8.370 nan 0.000 0.460 1077 L N 0.639 121.786 121.223 -0.125 0.000 2.017 1077 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 1077 L C 2.444 179.202 176.870 -0.186 0.000 1.073 1077 L CA 1.416 56.165 54.840 -0.151 0.000 0.745 1077 L CB -0.216 41.755 42.059 -0.147 0.000 0.894 1077 L HN 0.026 nan 8.230 nan 0.000 0.432 1078 C N -0.405 118.715 119.300 -0.299 0.000 2.413 1078 C HA -0.249 4.211 4.460 -0.000 0.000 0.276 1078 C C 2.617 177.573 174.990 -0.056 0.000 1.236 1078 C CA 1.305 60.170 59.018 -0.255 0.000 1.735 1078 C CB -1.502 25.998 27.740 -0.399 0.000 2.031 1078 C HN 0.726 nan 8.230 nan 0.000 0.474 1079 H N 1.326 120.294 119.070 -0.169 0.000 2.265 1079 H HA -0.191 4.365 4.556 -0.000 0.000 0.293 1079 H C 2.073 177.405 175.328 0.008 0.000 1.089 1079 H CA 2.061 58.056 56.048 -0.090 0.000 1.244 1079 H CB -0.171 29.533 29.762 -0.097 0.000 1.355 1079 H HN 0.473 nan 8.280 nan 0.000 0.485 1080 N N 0.529 119.200 118.700 -0.048 0.000 2.025 1080 N HA -0.163 4.577 4.740 -0.000 0.000 0.194 1080 N C 2.222 177.774 175.510 0.069 0.000 1.044 1080 N CA 1.397 54.398 53.050 -0.082 0.000 0.851 1080 N CB -0.792 37.629 38.487 -0.110 0.000 1.036 1080 N HN 0.215 nan 8.380 nan 0.000 0.422 1081 V N 1.271 121.202 119.914 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 0.161 0.000 1.054 1081 V CA 1.822 64.136 62.300 0.024 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 -0.182 120.144 120.300 0.042 0.000 2.241 1082 Y HA -0.329 4.221 4.550 -0.000 0.000 0.286 1082 Y C 2.421 178.396 175.900 0.124 0.000 1.166 1082 Y CA 2.057 60.204 58.100 0.079 0.000 1.203 1082 Y CB -0.326 38.166 38.460 0.053 0.000 0.977 1082 Y HN 0.315 nan 8.280 nan 0.000 0.529 1083 C N -0.176 119.296 119.300 0.287 0.000 2.492 1083 C HA -0.089 4.371 4.460 -0.000 0.000 0.279 1083 C C 2.453 177.515 174.990 0.121 0.000 1.335 1083 C CA 0.873 60.016 59.018 0.208 0.000 1.734 1083 C CB -0.857 27.022 27.740 0.232 0.000 2.027 1083 C HN 0.591 nan 8.230 nan 0.000 0.496 1084 Q N 1.046 120.949 119.800 0.171 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 0.348 0.000 0.931 1084 Q HN 0.736 nan 8.270 nan 0.000 0.452 1085 A N 1.428 124.374 122.820 0.209 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 53.072 52.037 0.143 0.000 0.611 1085 A CB -0.264 18.804 19.000 0.113 0.000 0.832 1085 A HN 0.119 nan 8.150 nan 0.000 0.442 1086 E N -0.011 120.125 120.200 -0.106 0.000 2.273 1086 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 1086 E C 1.960 178.554 176.600 -0.011 0.000 1.002 1086 E CA 1.571 57.908 56.400 -0.104 0.000 0.828 1086 E CB -0.642 28.985 29.700 -0.122 0.000 0.747 1086 E HN 0.627 nan 8.360 nan 0.000 0.491 1087 T N 0.965 115.537 114.554 0.031 0.000 2.732 1087 T HA -0.008 4.342 4.350 -0.000 0.000 0.261 1087 T C 2.099 176.837 174.700 0.062 0.000 1.040 1087 T CA 0.648 62.809 62.100 0.102 0.000 1.145 1087 T CB -0.115 68.782 68.868 0.049 0.000 0.866 1087 T HN 0.131 nan 8.240 nan 0.000 0.427 1088 I N 0.743 121.297 120.570 -0.027 0.000 2.264 1088 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 1088 I C 2.855 178.982 176.117 0.017 0.000 1.111 1088 I CA 1.251 62.531 61.300 -0.034 0.000 1.382 1088 I CB -0.327 37.602 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 -0.003 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 1.784 57.876 56.100 -0.014 0.000 0.970 1089 R CB -0.635 29.646 30.300 -0.032 0.000 0.864 1089 R HN 0.349 nan 8.270 nan 0.000 0.440 1090 T N 0.896 115.401 114.554 -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 -0.482 0.000 0.874 1090 T HN -0.001 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 -0.079 4.041 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 62.340 61.300 0.004 0.000 1.401 1092 I CB -0.727 37.277 38.000 0.006 0.000 1.126 1092 I HN 0.219 nan 8.210 nan 0.000 0.429 1093 A N 1.919 124.710 122.820 -0.050 0.000 1.971 1093 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 1093 A C 2.197 179.749 177.584 -0.053 0.000 1.182 1093 A CA 2.344 54.346 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 -4.844 115.692 120.570 -0.055 0.000 3.564 1094 I HA 0.107 4.277 4.170 -0.000 0.000 0.294 1094 I C 1.345 177.450 176.117 -0.019 0.000 1.289 1094 I CA 0.620 61.895 61.300 -0.041 0.000 1.325 1094 I CB -0.044 37.924 38.000 -0.053 0.000 1.039 1094 I HN 0.084 nan 8.210 nan 0.000 0.474 1095 R N 1.187 121.675 120.500 -0.020 0.000 2.613 1095 R HA 0.481 4.821 4.340 -0.000 0.000 0.361 1095 R C -0.202 176.082 176.300 -0.027 0.000 1.072 1095 R CA -0.269 55.823 56.100 -0.013 0.000 1.089 1095 R CB 0.608 30.908 30.300 0.000 0.000 1.343 1095 R HN 0.323 nan 8.270 nan 0.000 0.571 1096 I N 4.064 124.613 120.570 -0.034 0.000 2.337 1096 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 1096 I C -1.409 174.706 176.117 -0.002 0.000 1.046 1096 I CA -1.864 59.413 61.300 -0.039 0.000 1.324 1096 I CB 0.877 38.846 38.000 -0.053 0.000 1.409 1096 I HN -0.083 nan 8.210 nan 0.000 0.494 1097 P HA -0.007 nan 4.420 nan 0.000 0.274 1097 P C -0.232 177.092 177.300 0.039 0.000 1.264 1097 P CA -0.422 62.686 63.100 0.014 0.000 0.795 1097 P CB 0.545 32.246 31.700 0.002 0.000 1.064 1098 E N -0.104 120.115 120.200 0.032 0.000 2.529 1098 E HA -0.139 4.211 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 -0.025 56.405 56.400 0.049 0.000 0.937 1098 E CB -0.040 29.674 29.700 0.024 0.000 0.923 1098 E HN 0.374 nan 8.360 nan 0.000 0.468 1099 H N 4.634 123.712 119.070 0.015 0.000 3.082 1099 H HA 0.117 4.673 4.556 -0.000 0.000 0.275 1099 H C -0.711 174.624 175.328 0.011 0.000 1.032 1099 H CA 0.659 56.719 56.048 0.019 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 3.140 123.304 120.400 -0.393 0.000 2.378 1100 K HA 0.235 4.555 4.320 -0.000 0.000 0.244 1100 K C 0.181 176.555 176.600 -0.376 0.000 1.039 1100 K CA -0.959 55.145 56.287 -0.306 0.000 0.863 1100 K CB 1.435 33.852 32.500 -0.139 0.000 1.326 1100 K HN 0.543 nan 8.250 nan 0.000 0.460 1101 E N 1.421 121.495 120.200 -0.210 0.000 2.548 1101 E HA 0.050 4.400 4.350 -0.000 0.000 0.206 1101 E C -0.698 175.848 176.600 -0.090 0.000 1.005 1101 E CA 0.245 56.558 56.400 -0.145 0.000 0.951 1101 E CB 0.730 30.374 29.700 -0.093 0.000 1.035 1101 E HN 0.578 nan 8.360 nan 0.000 0.470 1102 E N -0.592 119.556 120.200 -0.087 0.000 2.433 1102 E HA 0.307 4.657 4.350 -0.000 0.000 0.278 1102 E C -0.676 175.893 176.600 -0.053 0.000 0.976 1102 E CA -0.819 55.546 56.400 -0.058 0.000 0.793 1102 E CB 0.987 30.659 29.700 -0.048 0.000 1.311 1102 E HN -0.253 nan 8.360 nan 0.000 0.460 1103 D N 0.414 120.790 120.400 -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 -0.025 0.000 2.321 1104 N HA 0.136 4.876 4.740 -0.000 0.000 0.242 1104 N C 1.795 177.305 175.510 0.000 0.000 1.141 1104 N CA -0.280 52.765 53.050 -0.008 0.000 0.864 1104 N CB 0.216 38.702 38.487 -0.002 0.000 1.100 1104 N HN 0.415 nan 8.380 nan 0.000 0.510 1105 L N -0.288 120.927 121.223 -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 1.388 56.219 54.840 -0.014 0.000 0.755 1105 L CB -0.375 41.670 42.059 -0.024 0.000 0.904 1105 L HN 0.223 nan 8.230 nan 0.000 0.435 1106 G N -0.717 108.068 108.800 -0.025 0.000 2.396 1106 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.214 1106 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.214 1106 G C 1.579 176.467 174.900 -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 -0.226 3.894 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 2.063 64.383 62.300 0.033 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 -0.141 122.732 122.820 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 -0.744 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 0.144 120.075 119.914 0.027 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 0.006 0.000 1.038 1109 V CB -0.990 30.815 31.823 -0.030 0.000 0.651 1109 V HN 0.645 nan 8.190 nan 0.000 0.450 1110 Q N -0.911 118.872 119.800 -0.027 0.000 2.002 1110 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 1110 Q C 2.339 178.297 176.000 -0.071 0.000 0.988 1110 Q CA 1.873 57.629 55.803 -0.079 0.000 0.843 1110 Q CB -0.394 28.244 28.738 -0.165 0.000 0.908 1110 Q HN 0.690 nan 8.270 nan 0.000 0.420 1111 H N 0.067 119.150 119.070 0.021 0.000 2.387 1111 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 1111 H C 2.081 177.427 175.328 0.030 0.000 1.099 1111 H CA 1.407 57.470 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 0.343 nan 8.280 nan 0.000 0.513 1112 A N 0.597 123.499 122.820 0.138 0.000 1.845 1112 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 1112 A C 2.886 180.518 177.584 0.081 0.000 1.195 1112 A CA 1.884 53.976 52.037 0.093 0.000 0.616 1112 A CB -0.972 18.067 19.000 0.066 0.000 0.832 1112 A HN 0.215 nan 8.150 nan 0.000 0.443 1113 V N 0.215 120.171 119.914 0.070 0.000 2.343 1113 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 1113 V C 2.568 178.713 176.094 0.086 0.000 1.051 1113 V CA 1.900 64.249 62.300 0.082 0.000 1.036 1113 V CB -0.792 31.080 31.823 0.082 0.000 0.654 1113 V HN 0.557 nan 8.190 nan 0.000 0.451 1114 L N -0.193 121.072 121.223 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 0.080 0.000 1.080 1114 L CA 2.051 56.930 54.840 0.066 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 -0.201 4.119 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 1.258 57.594 56.287 0.083 0.000 0.935 1115 K CB -0.057 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 0.830 121.449 120.570 0.083 0.000 2.361 1116 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 1116 I C 1.859 178.031 176.117 0.092 0.000 1.133 1116 I CA 1.104 62.455 61.300 0.085 0.000 1.413 1116 I CB 0.057 38.112 38.000 0.092 0.000 1.073 1116 I HN 0.256 nan 8.210 nan 0.000 0.424 1117 I N 0.851 121.480 120.570 0.098 0.000 2.252 1117 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 1117 I C 1.944 178.107 176.117 0.076 0.000 1.102 1117 I CA 1.327 62.689 61.300 0.103 0.000 1.385 1117 I CB -0.512 37.546 38.000 0.097 0.000 1.064 1117 I HN 0.258 nan 8.210 nan 0.000 0.414 1118 D N 0.432 120.873 120.400 0.067 0.000 2.178 1118 D HA -0.218 4.422 4.640 -0.000 0.000 0.202 1118 D C 1.956 178.301 176.300 0.074 0.000 0.974 1118 D CA 1.035 55.072 54.000 0.063 0.000 0.841 1118 D CB -0.174 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 0.175 120.420 120.200 0.075 0.000 2.150 1119 E HA -0.154 4.196 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 0.285 56.733 56.400 0.080 0.000 0.814 1119 E CB 0.074 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 -0.101 4.239 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 1.834 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 -0.300 119.947 120.200 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 0.187 0.000 0.991 1121 E CA 1.528 58.009 56.400 0.135 0.000 0.810 1121 E CB -0.196 29.542 29.700 0.064 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 0.135 0.000 2.315 1122 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 1122 I C 2.208 178.394 176.117 0.116 0.000 1.117 1122 I CA 0.833 62.209 61.300 0.126 0.000 1.404 1122 I CB -0.069 37.992 38.000 0.101 0.000 1.071 1122 I HN 0.027 nan 8.210 nan 0.000 0.419 1123 K N 0.458 120.925 120.400 0.111 0.000 2.002 1123 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 1123 K C 2.155 178.813 176.600 0.096 0.000 1.048 1123 K CA 2.206 58.563 56.287 0.117 0.000 0.930 1123 K CB -1.187 31.395 32.500 0.137 0.000 0.714 1123 K HN 0.446 nan 8.250 nan 0.000 0.438 1124 T N 0.793 115.389 114.554 0.070 0.000 2.684 1124 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 1124 T C 2.047 176.758 174.700 0.019 0.000 1.036 1124 T CA 1.216 63.329 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 0.045 nan 8.240 nan 0.000 0.436 1125 L N 1.915 123.188 121.223 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 40.799 42.059 0.102 0.000 0.904 1125 L HN 0.928 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 0.611 175.577 174.900 0.110 0.000 1.364 1126 G CA 0.351 45.521 45.100 0.116 0.000 0.866 1126 G HN 0.567 nan 8.290 nan 0.000 0.555 1127 S N -0.438 115.320 115.700 0.097 0.000 2.325 1127 S HA 0.421 4.891 4.470 -0.000 0.000 0.213 1127 S C 2.339 176.979 174.600 0.067 0.000 1.031 1127 S CA 1.766 60.008 58.200 0.069 0.000 0.984 1127 S CB -0.693 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 1.136 109.984 108.800 0.080 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 -0.654 119.540 120.200 -0.010 0.000 2.614 1129 E HA 0.203 4.553 4.350 -0.000 0.000 0.192 1129 E C -0.215 176.380 176.600 -0.008 0.000 0.930 1129 E CA 0.186 56.584 56.400 -0.004 0.000 1.346 1129 E CB 1.008 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 0.368 4.688 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 55.820 56.287 -0.009 0.000 0.827 1130 K CB 1.482 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 2.173 117.875 115.700 0.003 0.000 2.537 1131 S HA 0.710 5.180 4.470 -0.000 0.000 0.301 1131 S C 0.162 174.768 174.600 0.010 0.000 1.092 1131 S CA -0.699 57.506 58.200 0.008 0.000 1.048 1131 S CB 1.500 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 1.516 110.326 108.800 0.015 0.000 2.361 1132 G HA2 0.339 4.299 3.960 -0.000 0.000 0.260 1132 G HA3 0.339 4.299 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 1.508 nan 8.290 nan 0.000 0.499 1133 S N 1.585 117.293 115.700 0.013 0.000 2.462 1133 S HA -0.236 4.234 4.470 -0.000 0.000 0.255 1133 S C 2.190 176.796 174.600 0.010 0.000 1.058 1133 S CA 1.730 59.936 58.200 0.010 0.000 1.019 1133 S CB -0.442 62.764 63.200 0.010 0.000 0.801 1133 S HN 1.001 nan 8.310 nan 0.000 0.491 1134 G N 0.417 109.225 108.800 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 1.344 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 0.477 175.382 174.900 0.008 0.000 1.209 1135 G CA 0.336 45.439 45.100 0.006 0.000 0.929 1135 G HN 1.380 nan 8.290 nan 0.000 0.578 1136 A N 0.540 123.362 122.820 0.002 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.516 177.061 177.584 -0.011 0.000 0.964 1136 A CA 0.817 52.855 52.037 0.003 0.000 1.045 1136 A CB 0.550 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 -0.247 31.433 31.700 -0.034 0.000 0.835 1138 T N 0.881 115.419 114.554 -0.026 0.000 2.779 1138 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 1138 T C -1.657 173.032 174.700 -0.019 0.000 0.938 1138 T CA -1.704 60.387 62.100 -0.016 0.000 1.119 1138 T CB 0.370 69.257 68.868 0.031 0.000 0.891 1138 T HN -0.119 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 63.920 63.100 -0.053 0.000 1.070 1139 P CB 0.179 31.858 31.700 -0.036 0.000 0.652 1140 I N -2.264 118.295 120.570 -0.019 0.000 2.545 1140 I HA 0.520 4.690 4.170 -0.000 0.000 0.292 1140 I C 0.628 176.824 176.117 0.132 0.000 1.040 1140 I CA -1.018 60.283 61.300 0.002 0.000 1.068 1140 I CB 1.794 39.731 38.000 -0.104 0.000 1.251 1140 I HN 0.119 nan 8.210 nan 0.000 0.424 1141 G N 5.322 114.211 108.800 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 0.184 0.000 1.374 1141 G CA -0.155 45.054 45.100 0.182 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 0.006 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 0.334 55.508 55.300 -0.211 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 0.381 120.735 120.300 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 -0.092 38.401 38.460 0.056 0.000 1.178 1143 Y HN 0.421 nan 8.280 nan 0.000 0.540 1144 A N 0.042 123.027 122.820 0.275 0.000 1.883 1144 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 1144 A C 2.077 179.868 177.584 0.345 0.000 1.186 1144 A CA 1.580 53.817 52.037 0.333 0.000 0.624 1144 A CB -0.598 18.569 19.000 0.278 0.000 0.822 1144 A HN 0.476 nan 8.150 nan 0.000 0.444 1145 L N -0.343 121.031 121.223 0.252 0.000 1.997 1145 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 1145 L C 2.570 179.571 176.870 0.219 0.000 1.074 1145 L CA 2.558 57.535 54.840 0.227 0.000 0.763 1145 L CB -0.751 41.404 42.059 0.160 0.000 0.890 1145 L HN 0.511 nan 8.230 nan 0.000 0.434 1146 R N 0.056 120.682 120.500 0.210 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 2.011 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 -1.204 119.133 120.200 0.228 0.000 2.110 1147 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 1147 E C 1.700 178.406 176.600 0.178 0.000 0.988 1147 E CA 1.266 57.815 56.400 0.249 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 1.587 121.844 120.300 -0.072 0.000 2.089 1148 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 1148 Y C 1.908 177.591 175.900 -0.363 0.000 1.139 1148 Y CA 1.401 59.119 58.100 -0.637 0.000 1.123 1148 Y CB -0.431 37.717 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 2.763 179.487 176.870 -0.243 0.000 1.089 1149 L CA 1.676 56.305 54.840 -0.352 0.000 0.757 1149 L CB -0.832 41.145 42.059 -0.138 0.000 0.899 1149 L HN 0.256 nan 8.230 nan 0.000 0.434 1150 S N -0.448 115.171 115.700 -0.135 0.000 2.406 1150 S HA -0.080 4.390 4.470 -0.000 0.000 0.228 1150 S C 2.061 176.603 174.600 -0.096 0.000 1.020 1150 S CA 1.043 59.195 58.200 -0.080 0.000 0.965 1150 S CB 0.058 63.250 63.200 -0.015 0.000 0.798 1150 S HN 0.433 nan 8.310 nan 0.000 0.488 1151 A N 1.507 124.245 122.820 -0.135 0.000 1.874 1151 A HA 0.094 4.414 4.320 -0.000 0.000 0.214 1151 A C 2.203 179.690 177.584 -0.163 0.000 1.189 1151 A CA 1.197 53.171 52.037 -0.106 0.000 0.615 1151 A CB -0.655 18.303 19.000 -0.071 0.000 0.830 1151 A HN 0.548 nan 8.150 nan 0.000 0.443 1152 R N -0.416 119.897 120.500 -0.312 0.000 2.075 1152 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 1152 R C 2.546 178.733 176.300 -0.189 0.000 1.126 1152 R CA 1.556 57.481 56.100 -0.292 0.000 0.963 1152 R CB -0.308 29.682 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 -0.170 4.300 4.470 -0.000 0.000 0.225 1153 S C 1.710 176.263 174.600 -0.080 0.000 1.039 1153 S CA 2.132 60.260 58.200 -0.120 0.000 1.033 1153 S CB -0.364 62.773 63.200 -0.106 0.000 0.887 1153 S HN 0.479 nan 8.310 nan 0.000 0.447 1154 T N 1.242 115.753 114.554 -0.071 0.000 2.833 1154 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 1154 T C 1.722 176.399 174.700 -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 1.067 120.952 119.914 -0.048 0.000 2.788 1155 V HA 0.013 4.133 4.120 -0.000 0.000 0.251 1155 V C 2.188 178.263 176.094 -0.031 0.000 1.068 1155 V CA 1.040 63.319 62.300 -0.035 0.000 1.090 1155 V CB -0.402 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 1.495 178.079 176.600 -0.026 0.000 1.026 1156 E CA 0.697 57.077 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 0.490 120.874 120.400 -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 0.692 54.679 54.000 -0.021 0.000 0.861 1157 D CB 0.278 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 0.291 120.682 120.400 -0.015 0.000 2.155 1158 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 1158 K C 1.862 178.458 176.600 -0.007 0.000 1.052 1158 K CA 0.480 56.761 56.287 -0.010 0.000 0.948 1158 K CB 0.289 32.784 32.500 -0.010 0.000 0.728 1158 K HN 0.097 nan 8.250 nan 0.000 0.448 1159 L N 0.703 121.922 121.223 -0.006 0.000 2.592 1159 L HA 0.108 4.448 4.340 -0.000 0.000 0.227 1159 L C 1.465 178.334 176.870 -0.001 0.000 1.127 1159 L CA 0.151 54.991 54.840 -0.000 0.000 0.884 1159 L CB 0.167 42.229 42.059 0.006 0.000 1.065 1159 L HN 0.140 nan 8.230 nan 0.000 0.457 1160 L N -1.238 119.982 121.223 -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 0.365 109.161 108.800 -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 -1.404 173.491 174.900 -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 1.883 121.793 119.914 -0.007 0.000 2.482 1162 V HA 0.639 4.759 4.120 -0.000 0.000 0.295 1162 V C -1.231 174.859 176.094 -0.006 0.000 1.026 1162 V CA -0.787 61.509 62.300 -0.007 0.000 0.856 1162 V CB 1.997 33.816 31.823 -0.007 0.000 1.001 1162 V HN 0.738 nan 8.190 nan 0.000 0.424 1163 D N 4.116 124.512 120.400 -0.006 0.000 2.476 1163 D HA 0.651 5.291 4.640 -0.000 0.000 0.251 1163 D C -0.238 176.058 176.300 -0.006 0.000 1.291 1163 D CA 0.013 54.009 54.000 -0.005 0.000 0.939 1163 D CB 2.173 42.970 40.800 -0.005 0.000 1.221 1163 D HN 0.691 nan 8.370 nan 0.000 0.567 1164 A N 2.369 125.186 122.820 -0.005 0.000 2.324 1164 A HA 0.677 4.997 4.320 -0.000 0.000 0.330 1164 A C 0.035 177.617 177.584 -0.004 0.000 1.165 1164 A CA -0.519 51.516 52.037 -0.005 0.000 0.813 1164 A CB 1.566 20.563 19.000 -0.005 0.000 1.197 1164 A HN 0.410 nan 8.150 nan 0.000 0.484 1165 E N -0.027 120.171 120.200 -0.004 0.000 2.359 1165 E HA 0.704 5.054 4.350 -0.000 0.000 0.266 1165 E C -1.253 175.345 176.600 -0.003 0.000 0.920 1165 E CA -0.679 55.719 56.400 -0.004 0.000 0.788 1165 E CB 2.170 31.868 29.700 -0.004 0.000 1.279 1165 E HN 0.624 nan 8.360 nan 0.000 0.438 1166 S N -0.268 115.431 115.700 -0.003 0.000 2.596 1166 S HA 0.299 4.769 4.470 -0.000 0.000 0.305 1166 S C -0.790 173.808 174.600 -0.003 0.000 1.086 1166 S CA -0.424 57.774 58.200 -0.003 0.000 0.909 1166 S CB 0.917 64.115 63.200 -0.003 0.000 1.106 1166 S HN 0.624 nan 8.310 nan 0.000 0.450 1167 G N 3.033 111.831 108.800 -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 0.317 175.215 174.900 -0.002 0.000 0.788 1167 G CA -0.222 44.877 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 -0.287 176.312 176.600 -0.002 0.000 1.520 1168 K CA -0.047 56.238 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 -0.653 174.045 174.700 -0.003 0.000 1.683 1169 T CA -0.749 61.349 62.100 -0.002 0.000 1.024 1169 T CB 2.420 71.286 68.868 -0.002 0.000 1.557 1169 T HN -0.146 nan 8.240 nan 0.000 0.494 1170 K N -0.093 120.305 120.400 -0.003 0.000 3.332 1170 K HA 0.740 5.060 4.320 -0.000 0.000 0.254 1170 K C 0.818 177.416 176.600 -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 0.856 nan 8.250 nan 0.000 0.423 1171 G N -0.449 108.349 108.800 -0.003 0.000 2.439 1171 G HA2 0.355 4.315 3.960 -0.000 0.000 0.186 1171 G HA3 0.355 4.315 3.960 -0.000 0.000 0.186 1171 G C -1.336 173.562 174.900 -0.003 0.000 1.260 1171 G CA -0.353 44.745 45.100 -0.004 0.000 1.020 1171 G HN 0.641 nan 8.290 nan 0.000 0.470 1172 G N -1.581 107.216 108.800 -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 -0.529 174.369 174.900 -0.003 0.000 1.489 1172 G CA 0.541 45.639 45.100 -0.003 0.000 0.836 1172 G HN 1.747 nan 8.290 nan 0.000 0.527 1173 G N -0.018 108.780 108.800 -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 0.434 175.333 174.900 -0.000 0.000 1.137 1173 G CA 0.331 45.430 45.100 -0.002 0.000 0.984 1173 G HN 1.177 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 1.336 175.937 174.600 0.003 0.000 1.224 1174 S CA 0.307 58.508 58.200 0.001 0.000 1.125 1174 S CB 0.335 63.536 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 0.833 176.835 176.000 0.003 0.000 0.928 1175 Q CA 0.098 55.902 55.803 0.003 0.000 0.890 1175 Q CB 0.015 28.754 28.738 0.002 0.000 1.001 1175 Q HN 0.737 nan 8.270 nan 0.000 0.517 1176 S N 3.172 118.873 115.700 0.001 0.000 3.106 1176 S HA -0.028 4.442 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 -0.915 57.285 58.200 0.001 0.000 1.191 1176 S CB 0.495 63.695 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 1.211 178.510 177.300 -0.000 0.000 1.146 1177 P CA 0.887 63.989 63.100 0.003 0.000 0.808 1177 P CB 0.006 31.708 31.700 0.004 0.000 0.779 1178 S N -0.226 115.472 115.700 -0.003 0.000 2.406 1178 S HA -0.054 4.416 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 0.427 58.621 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 1.469 122.688 121.223 -0.007 0.000 2.191 1179 L HA 0.038 4.378 4.340 -0.000 0.000 0.212 1179 L C 1.875 178.739 176.870 -0.010 0.000 1.103 1179 L CA 1.197 56.032 54.840 -0.009 0.000 0.769 1179 L CB -0.431 41.625 42.059 -0.004 0.000 0.908 1179 L HN 0.271 nan 8.230 nan 0.000 0.438 1180 L N -1.253 119.967 121.223 -0.004 0.000 2.095 1180 L HA -0.078 4.262 4.340 -0.000 0.000 0.204 1180 L C 2.134 178.986 176.870 -0.030 0.000 1.080 1180 L CA 1.607 56.452 54.840 0.007 0.000 0.759 1180 L CB -0.436 41.640 42.059 0.028 0.000 0.914 1180 L HN 0.233 nan 8.230 nan 0.000 0.439 1181 L N -0.570 120.626 121.223 -0.044 0.000 2.201 1181 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 1181 L C 2.469 179.268 176.870 -0.119 0.000 1.105 1181 L CA 1.223 56.009 54.840 -0.089 0.000 0.775 1181 L CB -0.440 41.587 42.059 -0.054 0.000 0.913 1181 L HN 0.432 nan 8.230 nan 0.000 0.440 1182 E N 0.461 120.617 120.200 -0.075 0.000 2.152 1182 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 1182 E C 2.164 178.714 176.600 -0.082 0.000 0.983 1182 E CA 0.635 56.999 56.400 -0.060 0.000 0.818 1182 E CB 0.109 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 1.143 122.308 121.223 -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 -0.278 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 -1.339 118.863 120.500 -0.497 0.000 2.090 1184 R HA -0.157 4.183 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 1.200 56.754 56.100 -0.911 0.000 0.973 1184 R CB -0.115 29.636 30.300 -0.916 0.000 0.869 1184 R HN 0.358 nan 8.270 nan 0.000 0.440 1185 Q N 0.714 120.387 119.800 -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 1.373 57.126 55.803 -0.085 0.000 0.845 1185 Q CB -0.021 28.691 28.738 -0.044 0.000 0.907 1185 Q HN 0.424 nan 8.270 nan 0.000 0.439 1186 I N 0.717 121.310 120.570 0.038 0.000 2.423 1186 I HA -0.262 3.908 4.170 -0.000 0.000 0.254 1186 I C 1.071 177.333 176.117 0.241 0.000 1.151 1186 I CA 1.153 62.550 61.300 0.162 0.000 1.421 1186 I CB -0.208 37.836 38.000 0.073 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 0.138 0.000 2.213 1187 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 1187 D C 2.241 178.590 176.300 0.083 0.000 0.961 1187 D CA 1.169 55.267 54.000 0.163 0.000 0.853 1187 D CB 0.120 41.018 40.800 0.163 0.000 0.967 1187 D HN 0.299 nan 8.370 nan 0.000 0.496 1188 A N 1.264 124.092 122.820 0.014 0.000 1.872 1188 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 1188 A C 1.844 179.509 177.584 0.134 0.000 1.187 1188 A CA 1.294 53.296 52.037 -0.058 0.000 0.614 1188 A CB -0.250 18.633 19.000 -0.196 0.000 0.826 1188 A HN -0.030 nan 8.150 nan 0.000 0.442 1189 D N -0.387 120.102 120.400 0.149 0.000 2.078 1189 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 1189 D C 1.456 177.817 176.300 0.102 0.000 0.990 1189 D CA 1.202 55.285 54.000 0.137 0.000 0.827 1189 D CB -0.611 40.265 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 2.232 177.939 175.800 -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 38.789 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 0.073 0.000 2.534 1191 M HA 0.058 4.538 4.480 -0.000 0.000 0.263 1191 M C 2.065 178.369 176.300 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 1.969 178.755 176.870 -0.139 0.000 1.087 1192 L CA 1.835 56.618 54.840 -0.096 0.000 0.767 1192 L CB -0.502 41.509 42.059 -0.080 0.000 0.917 1192 L HN 0.126 nan 8.230 nan 0.000 0.441 1193 K N -1.095 119.207 120.400 -0.164 0.000 2.280 1193 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 1193 K C 1.759 178.200 176.600 -0.265 0.000 1.047 1193 K CA 1.223 57.373 56.287 -0.227 0.000 0.942 1193 K CB -0.077 32.218 32.500 -0.342 0.000 0.739 1193 K HN 0.280 nan 8.250 nan 0.000 0.457 1194 V N 0.904 120.649 119.914 -0.282 0.000 2.878 1194 V HA -0.095 4.025 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 1.145 63.203 62.300 -0.404 0.000 1.096 1194 V CB -0.160 31.426 31.823 -0.394 0.000 0.724 1194 V HN 0.258 nan 8.190 nan 0.000 0.467 1195 E N 0.560 120.661 120.200 -0.165 0.000 2.015 1195 E HA -0.150 4.200 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 1.395 57.727 56.400 -0.113 0.000 0.802 1195 E CB -0.152 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 0.637 121.803 121.223 -0.095 0.000 1.970 1196 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 1196 L C 2.731 179.593 176.870 -0.012 0.000 1.071 1196 L CA 1.226 56.032 54.840 -0.057 0.000 0.751 1196 L CB -0.801 41.212 42.059 -0.077 0.000 0.889 1196 L HN 0.138 nan 8.230 nan 0.000 0.432 1197 A N 0.472 123.268 122.820 -0.040 0.000 1.958 1197 A HA -0.279 4.041 4.320 -0.000 0.000 0.221 1197 A C 2.408 180.059 177.584 0.110 0.000 1.178 1197 A CA 2.775 54.837 52.037 0.042 0.000 0.642 1197 A CB -1.098 17.895 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 1.769 176.487 174.700 0.031 0.000 1.063 1198 T CA 1.642 63.786 62.100 0.073 0.000 1.140 1198 T CB -0.673 68.228 68.868 0.055 0.000 0.886 1198 T HN 0.316 nan 8.240 nan 0.000 0.470 1199 T N 1.138 115.708 114.554 0.026 0.000 2.737 1199 T HA -0.103 4.247 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 1.795 63.908 62.100 0.023 0.000 1.144 1199 T CB -0.555 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 0.736 119.797 119.070 -0.015 0.000 2.389 1200 H HA 0.089 4.645 4.556 -0.000 0.000 0.299 1200 H C 1.954 177.275 175.328 -0.012 0.000 1.081 1200 H CA 0.915 56.956 56.048 -0.010 0.000 1.345 1200 H CB -0.540 29.218 29.762 -0.007 0.000 1.393 1200 H HN 0.148 nan 8.280 nan 0.000 0.520 1201 L N 0.025 121.190 121.223 -0.096 0.000 2.265 1201 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 1201 L C 2.091 178.850 176.870 -0.185 0.000 1.117 1201 L CA 1.394 56.134 54.840 -0.167 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 -1.369 114.256 115.700 -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 1.614 59.753 58.200 -0.102 0.000 0.984 1202 S CB -0.525 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 2.589 117.075 114.554 -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 1.882 63.923 62.100 -0.098 0.000 1.159 1203 T CB -0.438 68.382 68.868 -0.079 0.000 0.863 1203 T HN 0.195 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 -0.101 4.379 4.480 -0.000 0.000 0.258 1204 M C 2.192 178.427 176.300 -0.107 0.000 1.070 1204 M CA 1.478 56.654 55.300 -0.207 0.000 1.103 1204 M CB -0.799 31.613 32.600 -0.312 0.000 1.321 1204 M HN 0.101 nan 8.290 nan 0.000 0.405 1205 V N 0.277 120.099 119.914 -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 2.096 64.321 62.300 -0.125 0.000 1.024 1205 V CB -0.820 30.840 31.823 -0.272 0.000 0.648 1205 V HN 0.469 nan 8.190 nan 0.000 0.447 1206 R N 0.049 120.554 120.500 0.007 0.000 2.096 1206 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 1206 R C 2.412 178.756 176.300 0.074 0.000 1.127 1206 R CA 1.453 57.582 56.100 0.049 0.000 0.968 1206 R CB -0.591 29.722 30.300 0.022 0.000 0.861 1206 R HN 0.559 nan 8.270 nan 0.000 0.440 1207 A N 0.863 123.716 122.820 0.054 0.000 1.855 1207 A HA -0.108 4.212 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 1.415 53.495 52.037 0.071 0.000 0.613 1207 A CB -0.605 18.423 19.000 0.046 0.000 0.829 1207 A HN 0.108 nan 8.150 nan 0.000 0.442 1208 V N 0.527 120.528 119.914 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 -0.868 31.133 31.823 0.296 0.000 0.667 1208 V HN 0.549 nan 8.190 nan 0.000 0.461 1209 I N 0.736 121.449 120.570 0.237 0.000 2.142 1209 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 1209 I C 2.493 178.742 176.117 0.219 0.000 1.078 1209 I CA 2.193 63.623 61.300 0.218 0.000 1.343 1209 I CB -0.590 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 1.979 55.117 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 -0.905 122.009 122.820 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 1.582 53.704 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 0.197 120.565 120.300 0.113 0.000 2.153 1212 Y HA -0.032 4.518 4.550 -0.000 0.000 0.289 1212 Y C 1.934 177.954 175.900 0.199 0.000 1.127 1212 Y CA 1.656 59.835 58.100 0.132 0.000 1.131 1212 Y CB -0.284 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 -1.002 120.320 121.223 0.166 0.000 2.130 1214 L HA -0.019 4.321 4.340 -0.000 0.000 0.200 1214 L C 1.769 178.620 176.870 -0.031 0.000 1.075 1214 L CA 0.731 55.622 54.840 0.085 0.000 0.768 1214 L CB -0.330 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 0.163 118.824 118.700 -0.064 0.000 2.398 1215 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 1215 N C 1.646 176.999 175.510 -0.263 0.000 1.122 1215 N CA 0.345 53.301 53.050 -0.158 0.000 0.866 1215 N CB 0.090 38.523 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 1.070 177.425 176.519 -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 0.665 120.308 120.400 -1.262 0.000 2.032 1217 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 1217 K C 2.147 178.469 176.600 -0.462 0.000 1.048 1217 K CA 1.783 57.425 56.287 -1.075 0.000 0.927 1217 K CB -0.282 31.579 32.500 -1.065 0.000 0.712 1217 K HN -0.078 nan 8.250 nan 0.000 0.441 1218 K N 1.040 121.226 120.400 -0.358 0.000 2.211 1218 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 1218 K C 2.077 178.593 176.600 -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 32.224 32.500 -0.164 0.000 0.732 1218 K HN 0.211 nan 8.250 nan 0.000 0.451 1219 L N 0.402 121.544 121.223 -0.135 0.000 2.093 1219 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 1219 L C 2.098 178.953 176.870 -0.026 0.000 1.085 1219 L CA 0.772 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 -1.226 119.334 120.570 -0.017 0.000 2.494 1220 I HA -0.056 4.114 4.170 -0.000 0.000 0.250 1220 I C 0.998 177.103 176.117 -0.019 0.000 1.112 1220 I CA 0.898 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 2.081 121.843 119.800 -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 -1.662 54.101 55.803 -0.066 0.000 0.972 1221 Q CB 1.204 29.891 28.738 -0.085 0.000 1.173 1221 Q HN 0.267 nan 8.270 nan 0.000 0.522 1222 P HA -0.121 nan 4.420 nan 0.000 0.218 1222 P C -0.057 177.213 177.300 -0.049 0.000 1.149 1222 P CA 0.893 63.960 63.100 -0.055 0.000 0.817 1222 P CB 0.722 32.396 31.700 -0.043 0.000 0.785 1223 R N -0.422 120.052 120.500 -0.044 0.000 2.628 1223 R HA 0.425 4.765 4.340 -0.000 0.000 0.288 1223 R C -0.383 175.890 176.300 -0.044 0.000 0.980 1223 R CA -0.403 55.672 56.100 -0.042 0.000 0.891 1223 R CB 1.835 32.114 30.300 -0.035 0.000 1.188 1223 R HN -0.074 nan 8.270 nan 0.000 0.450 1224 T N -0.658 113.870 114.554 -0.045 0.000 2.963 1224 T HA 0.376 4.726 4.350 -0.000 0.000 0.343 1224 T C 0.589 175.262 174.700 -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 70.028 68.868 -0.039 0.000 1.046 1224 T HN 0.658 nan 8.240 nan 0.000 0.496 1225 G N 1.987 110.758 108.800 -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 0.114 174.955 174.900 -0.097 0.000 1.293 1225 G CA -0.249 44.811 45.100 -0.067 0.000 0.869 1225 G HN 1.662 nan 8.290 nan 0.000 0.556 1226 S N 0.363 115.955 115.700 -0.179 0.000 2.465 1226 S HA 0.144 4.614 4.470 -0.000 0.000 0.186 1226 S C -1.428 172.805 174.600 -0.612 0.000 0.839 1226 S CA -0.952 57.008 58.200 -0.401 0.000 1.037 1226 S CB 0.793 63.840 63.200 -0.255 0.000 1.407 1226 S HN 0.400 nan 8.310 nan 0.000 0.396 1227 D N 2.807 122.931 120.400 -0.459 0.000 2.500 1227 D HA 0.337 4.977 4.640 -0.000 0.000 0.219 1227 D C 0.860 176.997 176.300 -0.272 0.000 1.137 1227 D CA -0.404 53.416 54.000 -0.300 0.000 0.946 1227 D CB 0.302 41.016 40.800 -0.143 0.000 1.022 1227 D HN 0.560 nan 8.370 nan 0.000 0.518 1228 H N 1.077 120.140 119.070 -0.012 0.000 2.582 1228 H HA 0.147 4.703 4.556 -0.000 0.000 0.269 1228 H C 1.522 176.844 175.328 -0.010 0.000 0.962 1228 H CA 0.478 56.519 56.048 -0.011 0.000 1.230 1228 H CB 0.340 30.094 29.762 -0.012 0.000 1.445 1228 H HN 0.351 nan 8.280 nan 0.000 0.528 1229 M N 0.614 120.256 119.600 0.069 0.000 2.134 1229 M HA 0.012 4.492 4.480 -0.000 0.000 0.262 1229 M C 0.766 177.076 176.300 0.017 0.000 1.076 1229 M CA 0.599 55.922 55.300 0.039 0.000 1.143 1229 M CB 0.198 32.810 32.600 0.020 0.000 1.346 1229 M HN -0.180 nan 8.290 nan 0.000 0.421 1230 V N 1.572 121.484 119.914 -0.003 0.000 2.715 1230 V HA 0.310 4.430 4.120 -0.000 0.000 0.299 1230 V C 0.258 176.351 176.094 -0.003 0.000 1.054 1230 V CA -0.282 62.013 62.300 -0.008 0.000 1.077 1230 V CB 0.670 32.481 31.823 -0.020 0.000 0.972 1230 V HN 0.609 nan 8.190 nan 0.000 0.484 1231 S N 0.000 115.700 115.700 -0.000 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