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 1qpn_1_C DATA FIRST_RESID 1002 DATA SEQUENCE GLSDWELAAA RAAIARGLDE DLRYGPDVTT LATVPASATT TASLVTREAG DATA SEQUENCE VVAGLDVALL TLNEVLGTNG YRVLDRVEDG ARVPPGEALM TLEAQTRGLL DATA SEQUENCE TAERTMLNLV GHLSGIATAT AAWVDAVRGT KAKIRDTRKT LPGLRALQKY DATA SEQUENCE AVRTGGGVNH RLGLGDAALI KDNHVAAAGS VVDALRAVRN AAPDLPCEVE DATA SEQUENCE VDSLEQLDAV LPEKPELILL DNFAVWQTQT AVQRRDSRAP TVMLESSGGL DATA SEQUENCE SLQTAATYAE TGVDYLAVGA LTHSVRVLDI GLDM 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1002 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1002 G C 0.000 174.886 174.900 -0.024 0.000 0.946 1002 G CA 0.000 45.132 45.100 0.053 0.000 0.502 1003 L N 2.560 123.680 121.223 -0.171 0.000 2.367 1003 L HA 0.426 4.766 4.340 -0.000 0.000 0.275 1003 L C 1.407 178.198 176.870 -0.132 0.000 1.129 1003 L CA -0.534 54.126 54.840 -0.300 0.000 0.839 1003 L CB 1.299 43.136 42.059 -0.370 0.000 1.133 1003 L HN 0.686 nan 8.230 nan 0.000 0.453 1004 S N 0.147 115.794 115.700 -0.088 0.000 2.614 1004 S HA 0.077 4.547 4.470 -0.000 0.000 0.265 1004 S C 0.779 175.376 174.600 -0.005 0.000 1.303 1004 S CA -0.354 57.845 58.200 -0.002 0.000 1.000 1004 S CB 1.217 64.457 63.200 0.068 0.000 0.935 1004 S HN 0.713 nan 8.310 nan 0.000 0.551 1005 D N 0.631 121.058 120.400 0.044 0.000 2.190 1005 D HA -0.224 4.416 4.640 -0.000 0.000 0.200 1005 D C 1.561 177.933 176.300 0.120 0.000 0.992 1005 D CA 1.335 55.369 54.000 0.057 0.000 0.854 1005 D CB -0.579 40.261 40.800 0.068 0.000 0.936 1005 D HN 0.785 nan 8.370 nan 0.000 0.462 1006 W N 1.670 122.954 121.300 -0.026 0.000 2.355 1006 W HA -0.199 4.461 4.660 -0.000 0.000 0.309 1006 W C 1.516 178.015 176.519 -0.032 0.000 1.206 1006 W CA 1.267 58.598 57.345 -0.022 0.000 1.284 1006 W CB 0.033 29.485 29.460 -0.013 0.000 1.145 1006 W HN 0.002 nan 8.180 nan 0.000 0.502 1007 E N 0.592 120.552 120.200 -0.400 0.000 2.150 1007 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 1007 E C 2.060 178.422 176.600 -0.397 0.000 0.985 1007 E CA 1.190 57.244 56.400 -0.577 0.000 0.814 1007 E CB -0.382 29.071 29.700 -0.412 0.000 0.752 1007 E HN 0.144 nan 8.360 nan 0.000 0.466 1008 L N 0.510 121.590 121.223 -0.238 0.000 2.141 1008 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 1008 L C 2.084 178.870 176.870 -0.141 0.000 1.094 1008 L CA 1.505 56.244 54.840 -0.168 0.000 0.763 1008 L CB -0.425 41.577 42.059 -0.095 0.000 0.908 1008 L HN 0.051 nan 8.230 nan 0.000 0.437 1009 A N -1.183 121.561 122.820 -0.127 0.000 1.929 1009 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 1009 A C 2.423 179.920 177.584 -0.144 0.000 1.176 1009 A CA 1.282 53.279 52.037 -0.066 0.000 0.628 1009 A CB -0.819 18.223 19.000 0.070 0.000 0.816 1009 A HN 0.424 nan 8.150 nan 0.000 0.444 1010 A N 0.038 122.647 122.820 -0.351 0.000 1.898 1010 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 1010 A C 2.490 179.934 177.584 -0.234 0.000 1.181 1010 A CA 1.947 53.751 52.037 -0.388 0.000 0.620 1010 A CB -0.995 17.569 19.000 -0.726 0.000 0.819 1010 A HN 0.961 nan 8.150 nan 0.000 0.442 1011 A N 0.023 122.706 122.820 -0.229 0.000 1.865 1011 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 1011 A C 2.253 179.773 177.584 -0.106 0.000 1.191 1011 A CA 1.625 53.567 52.037 -0.157 0.000 0.623 1011 A CB -0.553 18.348 19.000 -0.166 0.000 0.826 1011 A HN 0.538 nan 8.150 nan 0.000 0.444 1012 R N -0.624 119.820 120.500 -0.093 0.000 2.091 1012 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 1012 R C 2.477 178.748 176.300 -0.047 0.000 1.136 1012 R CA 1.325 57.390 56.100 -0.058 0.000 0.959 1012 R CB -0.536 29.740 30.300 -0.041 0.000 0.856 1012 R HN 0.534 nan 8.270 nan 0.000 0.437 1013 A N 1.162 123.952 122.820 -0.051 0.000 1.933 1013 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 1013 A C 2.362 179.923 177.584 -0.038 0.000 1.175 1013 A CA 1.680 53.697 52.037 -0.033 0.000 0.628 1013 A CB -0.551 18.434 19.000 -0.024 0.000 0.814 1013 A HN 0.413 nan 8.150 nan 0.000 0.444 1014 A N 0.511 123.298 122.820 -0.056 0.000 1.855 1014 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 1014 A C 2.122 179.680 177.584 -0.043 0.000 1.191 1014 A CA 1.654 53.660 52.037 -0.052 0.000 0.613 1014 A CB -0.793 18.167 19.000 -0.067 0.000 0.829 1014 A HN 1.132 nan 8.150 nan 0.000 0.442 1015 I N -1.219 119.323 120.570 -0.046 0.000 2.335 1015 I HA -0.107 4.063 4.170 -0.000 0.000 0.251 1015 I C 2.248 178.348 176.117 -0.029 0.000 1.129 1015 I CA 1.805 63.083 61.300 -0.038 0.000 1.402 1015 I CB -0.590 37.385 38.000 -0.041 0.000 1.069 1015 I HN 0.189 nan 8.210 nan 0.000 0.424 1016 A N 1.380 124.184 122.820 -0.027 0.000 1.873 1016 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 1016 A C 2.484 180.058 177.584 -0.017 0.000 1.186 1016 A CA 1.781 53.806 52.037 -0.019 0.000 0.616 1016 A CB -0.714 18.276 19.000 -0.017 0.000 0.823 1016 A HN 0.532 nan 8.150 nan 0.000 0.442 1017 R N -0.752 119.737 120.500 -0.018 0.000 2.096 1017 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 1017 R C 2.340 178.633 176.300 -0.012 0.000 1.127 1017 R CA 1.079 57.170 56.100 -0.015 0.000 0.968 1017 R CB -0.611 29.679 30.300 -0.017 0.000 0.861 1017 R HN 0.539 nan 8.270 nan 0.000 0.440 1018 G N 1.316 110.106 108.800 -0.017 0.000 2.433 1018 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 1018 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 1018 G C 1.449 176.347 174.900 -0.003 0.000 1.186 1018 G CA 0.398 45.490 45.100 -0.012 0.000 0.779 1018 G HN 0.118 nan 8.290 nan 0.000 0.543 1019 L N 0.389 121.607 121.223 -0.007 0.000 2.083 1019 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 1019 L C 2.521 179.392 176.870 0.002 0.000 1.083 1019 L CA 1.464 56.303 54.840 -0.003 0.000 0.752 1019 L CB -0.352 41.702 42.059 -0.009 0.000 0.899 1019 L HN 0.241 nan 8.230 nan 0.000 0.433 1020 D N 0.072 120.469 120.400 -0.005 0.000 2.178 1020 D HA -0.193 4.447 4.640 -0.000 0.000 0.202 1020 D C 2.002 178.303 176.300 0.001 0.000 0.974 1020 D CA 1.124 55.117 54.000 -0.011 0.000 0.841 1020 D CB 0.184 40.972 40.800 -0.019 0.000 0.953 1020 D HN 0.314 nan 8.370 nan 0.000 0.478 1021 E N -0.287 119.927 120.200 0.024 0.000 2.106 1021 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 1021 E C 1.410 178.086 176.600 0.127 0.000 0.984 1021 E CA 0.994 57.437 56.400 0.071 0.000 0.806 1021 E CB 0.018 29.753 29.700 0.059 0.000 0.750 1021 E HN 0.307 nan 8.360 nan 0.000 0.458 1022 D N 0.394 120.843 120.400 0.080 0.000 2.149 1022 D HA -0.041 4.599 4.640 -0.000 0.000 0.201 1022 D C 1.668 178.033 176.300 0.108 0.000 0.972 1022 D CA 0.763 54.817 54.000 0.089 0.000 0.835 1022 D CB 0.174 40.999 40.800 0.043 0.000 0.966 1022 D HN 0.098 nan 8.370 nan 0.000 0.476 1023 L N -0.041 121.217 121.223 0.059 0.000 2.567 1023 L HA 0.200 4.540 4.340 -0.000 0.000 0.225 1023 L C 2.233 179.098 176.870 -0.009 0.000 1.119 1023 L CA -0.059 54.801 54.840 0.034 0.000 0.871 1023 L CB -0.006 42.058 42.059 0.008 0.000 1.036 1023 L HN -0.085 nan 8.230 nan 0.000 0.459 1024 R N 0.449 120.913 120.500 -0.061 0.000 2.139 1024 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 1024 R C 1.343 177.334 176.300 -0.516 0.000 1.145 1024 R CA 1.881 57.791 56.100 -0.317 0.000 0.976 1024 R CB -0.104 29.902 30.300 -0.488 0.000 0.866 1024 R HN 0.338 nan 8.270 nan 0.000 0.449 1025 Y N -0.910 119.387 120.300 -0.005 0.000 2.457 1025 Y HA 0.380 4.930 4.550 -0.000 0.000 0.263 1025 Y C 0.880 176.778 175.900 -0.003 0.000 1.164 1025 Y CA 0.370 58.467 58.100 -0.004 0.000 1.274 1025 Y CB 1.013 39.471 38.460 -0.004 0.000 1.097 1025 Y HN 0.309 nan 8.280 nan 0.000 0.523 1026 G N 0.367 109.207 108.800 0.066 0.000 2.357 1026 G HA2 0.031 3.991 3.960 -0.000 0.000 0.643 1026 G HA3 0.031 3.991 3.960 -0.000 0.000 0.643 1026 G C -3.006 171.923 174.900 0.048 0.000 1.358 1026 G CA -1.322 43.806 45.100 0.047 0.000 0.986 1026 G HN -0.109 nan 8.290 nan 0.000 0.620 1027 P HA 0.317 nan 4.420 nan 0.000 0.275 1027 P C -0.684 176.633 177.300 0.028 0.000 1.266 1027 P CA -0.256 62.859 63.100 0.025 0.000 0.793 1027 P CB 0.788 32.498 31.700 0.016 0.000 1.074 1028 D N 0.529 120.942 120.400 0.021 0.000 2.489 1028 D HA -0.035 4.605 4.640 -0.000 0.000 0.237 1028 D C 1.390 177.699 176.300 0.015 0.000 1.212 1028 D CA -0.079 53.932 54.000 0.018 0.000 1.058 1028 D CB -0.563 40.245 40.800 0.013 0.000 1.098 1028 D HN 0.055 nan 8.370 nan 0.000 0.509 1029 V N 3.324 123.248 119.914 0.017 0.000 2.439 1029 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 1029 V C 1.970 178.069 176.094 0.009 0.000 1.074 1029 V CA 2.802 65.110 62.300 0.013 0.000 1.076 1029 V CB -0.580 31.252 31.823 0.015 0.000 0.664 1029 V HN 0.626 nan 8.190 nan 0.000 0.461 1030 T N -0.507 114.051 114.554 0.008 0.000 2.942 1030 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 1030 T C 1.920 176.623 174.700 0.005 0.000 1.062 1030 T CA 2.292 64.395 62.100 0.006 0.000 1.139 1030 T CB -0.591 68.279 68.868 0.004 0.000 0.883 1030 T HN 0.886 nan 8.240 nan 0.000 0.468 1031 T N 0.710 115.268 114.554 0.006 0.000 2.812 1031 T HA 0.025 4.375 4.350 -0.000 0.000 0.264 1031 T C 1.904 176.607 174.700 0.006 0.000 1.042 1031 T CA 0.692 62.795 62.100 0.005 0.000 1.140 1031 T CB -0.663 68.208 68.868 0.006 0.000 0.870 1031 T HN 0.201 nan 8.240 nan 0.000 0.445 1032 L N 2.121 123.349 121.223 0.007 0.000 2.021 1032 L HA -0.007 4.332 4.340 -0.000 0.000 0.215 1032 L C 3.087 179.961 176.870 0.006 0.000 1.074 1032 L CA 1.871 56.715 54.840 0.007 0.000 0.760 1032 L CB -1.392 40.672 42.059 0.008 0.000 0.889 1032 L HN 0.444 nan 8.230 nan 0.000 0.433 1033 A N -1.584 121.240 122.820 0.006 0.000 1.930 1033 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 1033 A C 2.332 179.919 177.584 0.004 0.000 1.175 1033 A CA 2.268 54.308 52.037 0.005 0.000 0.627 1033 A CB -0.842 18.161 19.000 0.005 0.000 0.815 1033 A HN 0.544 nan 8.150 nan 0.000 0.443 1034 T N -4.077 110.480 114.554 0.004 0.000 3.040 1034 T HA 0.302 4.652 4.350 -0.000 0.000 0.252 1034 T C 0.477 175.180 174.700 0.004 0.000 1.064 1034 T CA 0.595 62.697 62.100 0.004 0.000 1.110 1034 T CB -0.301 68.569 68.868 0.003 0.000 0.921 1034 T HN 0.681 nan 8.240 nan 0.000 0.480 1035 V N 3.878 123.795 119.914 0.005 0.000 2.448 1035 V HA 0.627 4.747 4.120 -0.000 0.000 0.295 1035 V C -2.836 173.261 176.094 0.006 0.000 1.025 1035 V CA -2.795 59.508 62.300 0.005 0.000 0.859 1035 V CB 1.955 33.781 31.823 0.005 0.000 0.988 1035 V HN 0.120 nan 8.190 nan 0.000 0.431 1036 P HA 0.191 nan 4.420 nan 0.000 0.271 1036 P C 0.580 177.884 177.300 0.007 0.000 1.218 1036 P CA 0.168 63.272 63.100 0.006 0.000 0.780 1036 P CB 1.562 33.265 31.700 0.006 0.000 0.901 1037 A N 2.949 125.774 122.820 0.007 0.000 1.978 1037 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 1037 A C 2.062 179.651 177.584 0.010 0.000 1.170 1037 A CA 2.123 54.165 52.037 0.009 0.000 0.636 1037 A CB -1.478 17.526 19.000 0.008 0.000 0.810 1037 A HN 0.659 nan 8.150 nan 0.000 0.448 1038 S N -0.310 115.395 115.700 0.008 0.000 2.527 1038 S HA 0.456 4.926 4.470 -0.000 0.000 0.222 1038 S C 1.020 175.626 174.600 0.010 0.000 0.985 1038 S CA 0.257 58.462 58.200 0.009 0.000 0.921 1038 S CB -0.667 62.537 63.200 0.007 0.000 0.772 1038 S HN 0.872 nan 8.310 nan 0.000 0.529 1039 A N 1.346 124.172 122.820 0.010 0.000 2.498 1039 A HA 0.508 4.828 4.320 -0.000 0.000 0.239 1039 A C 0.294 177.886 177.584 0.014 0.000 1.068 1039 A CA 0.215 52.258 52.037 0.010 0.000 0.766 1039 A CB 0.049 19.055 19.000 0.009 0.000 1.003 1039 A HN 0.293 nan 8.150 nan 0.000 0.497 1040 T N 1.271 115.833 114.554 0.014 0.000 2.952 1040 T HA 0.676 5.026 4.350 -0.000 0.000 0.305 1040 T C -0.278 174.432 174.700 0.017 0.000 1.064 1040 T CA -0.055 62.056 62.100 0.018 0.000 1.008 1040 T CB 1.564 70.443 68.868 0.019 0.000 1.078 1040 T HN 0.973 nan 8.240 nan 0.000 0.459 1041 T N 0.218 114.784 114.554 0.019 0.000 2.831 1041 T HA 0.729 5.079 4.350 -0.000 0.000 0.287 1041 T C -0.692 174.020 174.700 0.020 0.000 1.070 1041 T CA -0.892 61.218 62.100 0.016 0.000 1.010 1041 T CB 1.711 70.587 68.868 0.012 0.000 1.264 1041 T HN 0.394 nan 8.240 nan 0.000 0.532 1042 T N 1.149 115.713 114.554 0.017 0.000 2.792 1042 T HA 0.757 5.107 4.350 -0.000 0.000 0.280 1042 T C -0.437 174.272 174.700 0.014 0.000 0.990 1042 T CA -0.543 61.568 62.100 0.019 0.000 0.960 1042 T CB 1.086 69.964 68.868 0.017 0.000 0.939 1042 T HN 0.992 nan 8.240 nan 0.000 0.439 1043 A N 2.472 125.300 122.820 0.013 0.000 2.430 1043 A HA 0.922 5.242 4.320 -0.000 0.000 0.300 1043 A C -0.448 177.139 177.584 0.005 0.000 1.124 1043 A CA -0.761 51.280 52.037 0.006 0.000 0.766 1043 A CB 1.732 20.732 19.000 -0.000 0.000 1.328 1043 A HN 0.649 nan 8.150 nan 0.000 0.424 1044 S N -0.015 115.686 115.700 0.002 0.000 2.547 1044 S HA 0.542 5.012 4.470 -0.000 0.000 0.281 1044 S C -1.018 173.581 174.600 -0.001 0.000 1.118 1044 S CA -0.441 57.760 58.200 0.002 0.000 0.947 1044 S CB 1.128 64.331 63.200 0.005 0.000 1.053 1044 S HN 0.548 nan 8.310 nan 0.000 0.482 1045 L N 3.666 124.888 121.223 -0.003 0.000 2.268 1045 L HA 0.506 4.846 4.340 -0.000 0.000 0.289 1045 L C -0.225 176.645 176.870 0.001 0.000 1.064 1045 L CA -0.577 54.260 54.840 -0.004 0.000 0.824 1045 L CB 0.754 42.810 42.059 -0.006 0.000 1.202 1045 L HN 0.458 nan 8.230 nan 0.000 0.433 1046 V N 0.828 120.743 119.914 0.001 0.000 2.540 1046 V HA 0.565 4.685 4.120 -0.000 0.000 0.302 1046 V C 0.285 176.381 176.094 0.003 0.000 1.035 1046 V CA -0.493 61.809 62.300 0.003 0.000 0.873 1046 V CB 1.784 33.608 31.823 0.003 0.000 0.992 1046 V HN 0.714 nan 8.190 nan 0.000 0.428 1047 T N 3.187 117.743 114.554 0.003 0.000 2.919 1047 T HA 0.393 4.743 4.350 -0.000 0.000 0.302 1047 T C 0.697 175.399 174.700 0.003 0.000 1.031 1047 T CA -0.308 61.794 62.100 0.004 0.000 1.127 1047 T CB 1.142 70.012 68.868 0.003 0.000 0.952 1047 T HN 0.792 nan 8.240 nan 0.000 0.540 1048 R N 0.634 121.136 120.500 0.004 0.000 2.280 1048 R HA 0.179 4.519 4.340 -0.000 0.000 0.195 1048 R C 0.828 177.129 176.300 0.003 0.000 0.935 1048 R CA 0.305 56.407 56.100 0.003 0.000 1.033 1048 R CB 0.241 30.544 30.300 0.004 0.000 0.964 1048 R HN 0.925 nan 8.270 nan 0.000 0.489 1049 E N -1.798 118.404 120.200 0.003 0.000 2.458 1049 E HA 0.628 4.978 4.350 -0.000 0.000 0.278 1049 E C -1.394 175.206 176.600 0.001 0.000 1.004 1049 E CA -1.231 55.170 56.400 0.002 0.000 0.823 1049 E CB 1.082 30.783 29.700 0.003 0.000 1.396 1049 E HN -0.069 nan 8.360 nan 0.000 0.463 1050 A N 0.013 122.833 122.820 -0.000 0.000 2.286 1050 A HA 0.856 5.176 4.320 -0.000 0.000 0.286 1050 A C 0.387 177.970 177.584 -0.002 0.000 1.097 1050 A CA 0.437 52.474 52.037 -0.001 0.000 0.821 1050 A CB 0.739 19.738 19.000 -0.002 0.000 1.076 1050 A HN 0.974 nan 8.150 nan 0.000 0.490 1051 G N -1.601 107.197 108.800 -0.003 0.000 2.336 1051 G HA2 0.468 4.428 3.960 -0.000 0.000 0.286 1051 G HA3 0.468 4.428 3.960 -0.000 0.000 0.286 1051 G C -1.717 173.180 174.900 -0.006 0.000 1.269 1051 G CA 0.010 45.108 45.100 -0.004 0.000 0.873 1051 G HN 1.228 nan 8.290 nan 0.000 0.494 1052 V N 0.489 120.397 119.914 -0.010 0.000 2.448 1052 V HA 0.615 4.735 4.120 -0.000 0.000 0.295 1052 V C 0.409 176.493 176.094 -0.016 0.000 1.025 1052 V CA -0.710 61.581 62.300 -0.014 0.000 0.859 1052 V CB 1.224 33.035 31.823 -0.021 0.000 0.988 1052 V HN 1.010 nan 8.190 nan 0.000 0.431 1053 V N 5.306 125.214 119.914 -0.009 0.000 2.649 1053 V HA 0.868 4.988 4.120 -0.000 0.000 0.292 1053 V C 0.251 176.344 176.094 -0.002 0.000 1.055 1053 V CA 0.442 62.741 62.300 -0.001 0.000 1.023 1053 V CB 1.264 33.091 31.823 0.008 0.000 0.992 1053 V HN 1.228 nan 8.190 nan 0.000 0.480 1054 A N 4.211 127.039 122.820 0.013 0.000 2.540 1054 A HA 0.727 5.047 4.320 -0.000 0.000 0.297 1054 A C 0.330 177.973 177.584 0.099 0.000 1.056 1054 A CA 0.037 52.098 52.037 0.040 0.000 0.700 1054 A CB 1.322 20.299 19.000 -0.038 0.000 1.280 1054 A HN 2.409 nan 8.150 nan 0.000 0.398 1055 G N 0.436 109.346 108.800 0.183 0.000 2.141 1055 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.195 1055 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.195 1055 G C 0.463 175.398 174.900 0.059 0.000 1.012 1055 G CA 0.305 45.490 45.100 0.141 0.000 0.696 1055 G HN 1.148 nan 8.290 nan 0.000 0.508 1056 L N 0.924 122.180 121.223 0.056 0.000 2.141 1056 L HA 0.093 4.433 4.340 -0.000 0.000 0.209 1056 L C 2.337 179.209 176.870 0.004 0.000 1.094 1056 L CA 2.318 57.173 54.840 0.025 0.000 0.763 1056 L CB -0.455 41.623 42.059 0.031 0.000 0.908 1056 L HN 0.356 nan 8.230 nan 0.000 0.437 1057 D N -1.003 119.398 120.400 0.002 0.000 2.178 1057 D HA -0.127 4.512 4.640 -0.000 0.000 0.201 1057 D C 2.269 178.544 176.300 -0.042 0.000 0.980 1057 D CA 1.071 55.058 54.000 -0.022 0.000 0.842 1057 D CB 0.064 40.836 40.800 -0.048 0.000 0.948 1057 D HN 0.208 nan 8.370 nan 0.000 0.472 1058 V N 1.567 121.453 119.914 -0.047 0.000 2.594 1058 V HA -0.198 3.922 4.120 -0.000 0.000 0.253 1058 V C 2.557 178.620 176.094 -0.052 0.000 1.069 1058 V CA 1.571 63.839 62.300 -0.054 0.000 1.082 1058 V CB -0.668 31.129 31.823 -0.043 0.000 0.680 1058 V HN 0.167 nan 8.190 nan 0.000 0.469 1059 A N -0.191 122.600 122.820 -0.048 0.000 1.897 1059 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 1059 A C 2.094 179.605 177.584 -0.122 0.000 1.181 1059 A CA 1.360 53.353 52.037 -0.072 0.000 0.620 1059 A CB -0.464 18.501 19.000 -0.059 0.000 0.821 1059 A HN 0.379 nan 8.150 nan 0.000 0.443 1060 L N -0.058 121.105 121.223 -0.101 0.000 2.012 1060 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 1060 L C 2.493 179.307 176.870 -0.093 0.000 1.073 1060 L CA 1.481 56.248 54.840 -0.122 0.000 0.748 1060 L CB -1.213 40.850 42.059 0.007 0.000 0.891 1060 L HN 0.376 nan 8.230 nan 0.000 0.431 1061 L N -1.264 119.930 121.223 -0.048 0.000 2.127 1061 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 1061 L C 2.258 179.100 176.870 -0.047 0.000 1.089 1061 L CA 1.413 56.234 54.840 -0.031 0.000 0.757 1061 L CB -0.849 41.185 42.059 -0.042 0.000 0.899 1061 L HN 0.316 nan 8.230 nan 0.000 0.434 1062 T N -0.299 114.209 114.554 -0.076 0.000 2.857 1062 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 1062 T C 1.847 176.490 174.700 -0.094 0.000 1.048 1062 T CA 0.730 62.785 62.100 -0.074 0.000 1.139 1062 T CB 0.012 68.836 68.868 -0.074 0.000 0.874 1062 T HN 0.025 nan 8.240 nan 0.000 0.455 1063 L N 1.884 122.997 121.223 -0.183 0.000 2.072 1063 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 1063 L C 2.252 179.093 176.870 -0.049 0.000 1.079 1063 L CA 1.322 56.011 54.840 -0.251 0.000 0.752 1063 L CB -1.441 40.159 42.059 -0.765 0.000 0.906 1063 L HN 0.171 nan 8.230 nan 0.000 0.436 1064 N N 0.065 118.793 118.700 0.047 0.000 2.036 1064 N HA -0.252 4.487 4.740 -0.000 0.000 0.195 1064 N C 1.875 177.431 175.510 0.076 0.000 1.037 1064 N CA 1.401 54.548 53.050 0.161 0.000 0.855 1064 N CB -0.180 38.379 38.487 0.120 0.000 1.033 1064 N HN 0.308 nan 8.380 nan 0.000 0.423 1065 E N 0.339 120.555 120.200 0.027 0.000 2.118 1065 E HA -0.062 4.287 4.350 -0.000 0.000 0.195 1065 E C 1.744 178.352 176.600 0.014 0.000 0.992 1065 E CA 0.731 57.138 56.400 0.013 0.000 0.804 1065 E CB 0.002 29.698 29.700 -0.006 0.000 0.741 1065 E HN 0.129 nan 8.360 nan 0.000 0.458 1066 V N -0.428 119.491 119.914 0.009 0.000 2.685 1066 V HA -0.010 4.110 4.120 -0.000 0.000 0.244 1066 V C 1.917 178.030 176.094 0.031 0.000 1.054 1066 V CA 1.057 63.362 62.300 0.010 0.000 1.076 1066 V CB -0.050 31.768 31.823 -0.009 0.000 0.725 1066 V HN 0.249 nan 8.190 nan 0.000 0.467 1067 L N -0.402 120.859 121.223 0.062 0.000 2.609 1067 L HA 0.562 4.902 4.340 -0.000 0.000 0.230 1067 L C 0.951 177.885 176.870 0.107 0.000 1.087 1067 L CA 0.660 55.559 54.840 0.097 0.000 0.874 1067 L CB 0.263 42.419 42.059 0.163 0.000 1.114 1067 L HN 0.471 nan 8.230 nan 0.000 0.488 1068 G N -0.141 108.726 108.800 0.112 0.000 2.788 1068 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 1068 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 1068 G C 0.399 175.364 174.900 0.108 0.000 1.147 1068 G CA -0.289 44.860 45.100 0.081 0.000 0.755 1068 G HN -0.020 nan 8.290 nan 0.000 0.634 1069 T N 0.772 115.367 114.554 0.067 0.000 2.718 1069 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 1069 T C 1.633 176.222 174.700 -0.185 0.000 1.033 1069 T CA 2.202 64.313 62.100 0.019 0.000 1.151 1069 T CB -0.177 68.687 68.868 -0.007 0.000 0.853 1069 T HN 0.592 nan 8.240 nan 0.000 0.466 1070 N N 0.263 118.872 118.700 -0.151 0.000 2.389 1070 N HA 0.315 5.055 4.740 -0.000 0.000 0.260 1070 N C 1.101 176.510 175.510 -0.169 0.000 1.191 1070 N CA -0.043 52.872 53.050 -0.225 0.000 0.885 1070 N CB 0.525 38.936 38.487 -0.127 0.000 1.162 1070 N HN 0.427 nan 8.380 nan 0.000 0.512 1071 G N -0.475 108.265 108.800 -0.100 0.000 3.042 1071 G HA2 0.107 4.067 3.960 -0.000 0.000 0.212 1071 G HA3 0.107 4.067 3.960 -0.000 0.000 0.212 1071 G C -0.112 174.865 174.900 0.129 0.000 1.166 1071 G CA 0.215 45.345 45.100 0.051 0.000 0.767 1071 G HN 0.360 nan 8.290 nan 0.000 0.546 1072 Y N -2.419 117.880 120.300 -0.002 0.000 2.670 1072 Y HA 0.794 5.344 4.550 -0.000 0.000 0.334 1072 Y C -0.852 175.047 175.900 -0.001 0.000 1.185 1072 Y CA -2.338 55.761 58.100 -0.001 0.000 1.053 1072 Y CB 1.162 39.621 38.460 -0.001 0.000 1.298 1072 Y HN -0.102 nan 8.280 nan 0.000 0.459 1073 R N 1.363 121.927 120.500 0.106 0.000 2.532 1073 R HA 0.723 5.063 4.340 -0.000 0.000 0.297 1073 R C -2.210 174.171 176.300 0.135 0.000 0.984 1073 R CA -0.861 55.260 56.100 0.034 0.000 0.884 1073 R CB 2.097 32.403 30.300 0.010 0.000 1.182 1073 R HN 0.746 nan 8.270 nan 0.000 0.442 1074 V N 6.864 126.852 119.914 0.124 0.000 2.368 1074 V HA 0.105 4.225 4.120 -0.000 0.000 0.266 1074 V C 0.710 176.841 176.094 0.061 0.000 1.045 1074 V CA -0.312 62.059 62.300 0.118 0.000 0.899 1074 V CB 1.229 33.130 31.823 0.129 0.000 1.006 1074 V HN 0.775 nan 8.190 nan 0.000 0.470 1075 L N 3.081 124.335 121.223 0.051 0.000 2.240 1075 L HA 0.279 4.619 4.340 -0.000 0.000 0.211 1075 L C 0.660 177.547 176.870 0.028 0.000 1.106 1075 L CA 1.143 56.002 54.840 0.033 0.000 0.793 1075 L CB -0.602 41.474 42.059 0.028 0.000 0.927 1075 L HN 0.810 nan 8.230 nan 0.000 0.446 1076 D N -1.524 118.895 120.400 0.032 0.000 2.722 1076 D HA 0.451 5.091 4.640 -0.000 0.000 0.231 1076 D C -0.979 175.337 176.300 0.027 0.000 1.218 1076 D CA -0.603 53.413 54.000 0.026 0.000 0.753 1076 D CB 1.242 42.054 40.800 0.020 0.000 1.471 1076 D HN 0.090 nan 8.370 nan 0.000 0.455 1077 R N 0.600 121.115 120.500 0.025 0.000 2.692 1077 R HA 0.792 5.132 4.340 -0.000 0.000 0.269 1077 R C -1.767 174.546 176.300 0.021 0.000 1.030 1077 R CA -0.969 55.145 56.100 0.024 0.000 0.882 1077 R CB 0.968 31.286 30.300 0.029 0.000 1.250 1077 R HN 0.154 nan 8.270 nan 0.000 0.465 1078 V N 1.119 121.045 119.914 0.020 0.000 2.973 1078 V HA 0.312 4.432 4.120 -0.000 0.000 0.314 1078 V C -0.224 175.884 176.094 0.023 0.000 1.066 1078 V CA -0.649 61.662 62.300 0.018 0.000 1.021 1078 V CB 1.872 33.704 31.823 0.015 0.000 1.076 1078 V HN 0.713 nan 8.190 nan 0.000 0.462 1079 E N 1.584 121.797 120.200 0.022 0.000 2.313 1079 E HA 0.259 4.609 4.350 -0.000 0.000 0.272 1079 E C -0.803 175.815 176.600 0.031 0.000 1.038 1079 E CA -0.584 55.834 56.400 0.028 0.000 0.863 1079 E CB 0.713 30.428 29.700 0.025 0.000 1.060 1079 E HN 0.528 nan 8.360 nan 0.000 0.402 1080 D N 0.213 120.642 120.400 0.047 0.000 2.488 1080 D HA 0.252 4.892 4.640 -0.000 0.000 0.238 1080 D C 1.136 177.446 176.300 0.016 0.000 1.138 1080 D CA 1.482 55.512 54.000 0.050 0.000 0.873 1080 D CB 0.602 41.470 40.800 0.113 0.000 1.183 1080 D HN 0.637 nan 8.370 nan 0.000 0.458 1081 G N 1.243 110.038 108.800 -0.009 0.000 2.179 1081 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.220 1081 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.220 1081 G C 0.420 175.313 174.900 -0.012 0.000 0.990 1081 G CA 0.115 45.201 45.100 -0.024 0.000 0.646 1081 G HN 0.822 nan 8.290 nan 0.000 0.517 1082 A N 1.024 123.843 122.820 -0.002 0.000 2.440 1082 A HA 0.666 4.986 4.320 -0.000 0.000 0.251 1082 A C 0.780 178.362 177.584 -0.002 0.000 1.089 1082 A CA -0.144 51.893 52.037 0.000 0.000 0.779 1082 A CB 0.320 19.324 19.000 0.005 0.000 1.022 1082 A HN 0.364 nan 8.150 nan 0.000 0.492 1083 R N 1.526 122.025 120.500 -0.002 0.000 2.340 1083 R HA 0.452 4.792 4.340 -0.000 0.000 0.300 1083 R C -0.880 175.419 176.300 -0.001 0.000 1.069 1083 R CA -0.307 55.791 56.100 -0.003 0.000 0.984 1083 R CB 0.767 31.066 30.300 -0.002 0.000 1.003 1083 R HN 0.387 nan 8.270 nan 0.000 0.459 1084 V N 5.353 125.267 119.914 -0.001 0.000 2.789 1084 V HA 0.430 4.550 4.120 -0.000 0.000 0.311 1084 V C -2.053 174.041 176.094 0.000 0.000 1.073 1084 V CA -1.989 60.311 62.300 0.001 0.000 0.921 1084 V CB 2.953 34.778 31.823 0.002 0.000 1.009 1084 V HN 0.685 nan 8.190 nan 0.000 0.426 1085 P HA 0.416 nan 4.420 nan 0.000 0.280 1085 P C -2.530 174.771 177.300 0.001 0.000 1.272 1085 P CA -1.649 61.452 63.100 0.000 0.000 0.819 1085 P CB 1.130 32.830 31.700 0.001 0.000 1.122 1086 P HA -0.200 nan 4.420 nan 0.000 0.207 1086 P C 1.365 178.666 177.300 0.002 0.000 0.954 1086 P CA 2.187 65.288 63.100 0.001 0.000 0.990 1086 P CB -0.765 30.936 31.700 0.001 0.000 0.721 1087 G N -0.786 108.015 108.800 0.002 0.000 3.262 1087 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.222 1087 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.222 1087 G C 0.164 175.065 174.900 0.003 0.000 1.269 1087 G CA -0.042 45.060 45.100 0.003 0.000 1.032 1087 G HN 0.235 nan 8.290 nan 0.000 0.502 1088 E N 0.803 121.004 120.200 0.003 0.000 2.415 1088 E HA 0.402 4.751 4.350 -0.000 0.000 0.263 1088 E C 0.394 176.997 176.600 0.005 0.000 0.995 1088 E CA -0.099 56.304 56.400 0.004 0.000 0.915 1088 E CB 0.689 30.391 29.700 0.004 0.000 0.951 1088 E HN 0.153 nan 8.360 nan 0.000 0.449 1089 A N 6.043 128.866 122.820 0.006 0.000 2.391 1089 A HA 0.224 4.544 4.320 -0.000 0.000 0.316 1089 A C 0.845 178.434 177.584 0.008 0.000 1.381 1089 A CA -0.361 51.680 52.037 0.006 0.000 0.998 1089 A CB -0.207 18.797 19.000 0.007 0.000 1.147 1089 A HN 0.839 nan 8.150 nan 0.000 0.545 1090 L N 1.577 122.804 121.223 0.007 0.000 2.141 1090 L HA 0.086 4.426 4.340 -0.000 0.000 0.209 1090 L C 1.040 177.917 176.870 0.011 0.000 1.094 1090 L CA 0.925 55.770 54.840 0.009 0.000 0.763 1090 L CB -0.279 41.785 42.059 0.008 0.000 0.908 1090 L HN 0.780 nan 8.230 nan 0.000 0.437 1091 M N -0.858 118.748 119.600 0.010 0.000 2.333 1091 M HA 0.274 4.754 4.480 -0.000 0.000 0.286 1091 M C -1.670 174.638 176.300 0.012 0.000 1.113 1091 M CA -0.149 55.158 55.300 0.013 0.000 0.959 1091 M CB 2.214 34.819 32.600 0.009 0.000 1.776 1091 M HN -0.294 nan 8.290 nan 0.000 0.492 1092 T N 6.082 120.648 114.554 0.019 0.000 2.786 1092 T HA 0.716 5.066 4.350 -0.000 0.000 0.283 1092 T C -0.899 173.821 174.700 0.033 0.000 0.992 1092 T CA -0.577 61.535 62.100 0.021 0.000 0.954 1092 T CB 0.703 69.582 68.868 0.019 0.000 0.934 1092 T HN 0.553 nan 8.240 nan 0.000 0.440 1093 L N 0.727 121.970 121.223 0.034 0.000 2.309 1093 L HA 0.848 5.188 4.340 -0.000 0.000 0.261 1093 L C -0.348 176.557 176.870 0.057 0.000 1.021 1093 L CA -1.157 53.720 54.840 0.061 0.000 0.823 1093 L CB 1.523 43.628 42.059 0.078 0.000 1.366 1093 L HN 0.459 nan 8.230 nan 0.000 0.423 1094 E N 0.446 120.695 120.200 0.081 0.000 2.165 1094 E HA 0.816 5.166 4.350 -0.000 0.000 0.266 1094 E C -1.333 175.323 176.600 0.093 0.000 0.889 1094 E CA -0.599 55.840 56.400 0.064 0.000 0.756 1094 E CB 1.613 31.343 29.700 0.049 0.000 1.131 1094 E HN 1.003 nan 8.360 nan 0.000 0.411 1095 A N 3.876 126.740 122.820 0.074 0.000 2.581 1095 A HA 0.297 4.617 4.320 -0.000 0.000 0.290 1095 A C -1.253 176.363 177.584 0.054 0.000 1.119 1095 A CA -0.769 51.323 52.037 0.091 0.000 0.670 1095 A CB 1.535 20.601 19.000 0.110 0.000 1.280 1095 A HN 0.622 nan 8.150 nan 0.000 0.425 1096 Q N 0.358 120.190 119.800 0.054 0.000 2.289 1096 Q HA 0.167 4.507 4.340 -0.000 0.000 0.273 1096 Q C 0.512 176.527 176.000 0.025 0.000 1.029 1096 Q CA 0.734 56.558 55.803 0.035 0.000 0.896 1096 Q CB 0.558 29.317 28.738 0.034 0.000 1.182 1096 Q HN 0.795 nan 8.270 nan 0.000 0.385 1097 T N 4.508 119.073 114.554 0.018 0.000 2.665 1097 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 1097 T C 1.506 176.211 174.700 0.008 0.000 1.035 1097 T CA 1.726 63.833 62.100 0.012 0.000 1.151 1097 T CB -0.041 68.833 68.868 0.010 0.000 0.862 1097 T HN 0.617 nan 8.240 nan 0.000 0.438 1098 R N 0.429 120.935 120.500 0.010 0.000 2.105 1098 R HA -0.037 4.303 4.340 -0.000 0.000 0.239 1098 R C 2.921 179.224 176.300 0.006 0.000 1.135 1098 R CA 1.306 57.410 56.100 0.008 0.000 0.967 1098 R CB -0.720 29.585 30.300 0.009 0.000 0.861 1098 R HN 0.481 nan 8.270 nan 0.000 0.442 1099 G N 1.019 109.824 108.800 0.009 0.000 2.421 1099 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 1099 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 1099 G C 1.433 176.328 174.900 -0.008 0.000 1.171 1099 G CA 0.384 45.487 45.100 0.006 0.000 0.775 1099 G HN 0.109 nan 8.290 nan 0.000 0.543 1100 L N -0.337 120.880 121.223 -0.009 0.000 1.990 1100 L HA -0.116 4.223 4.340 -0.000 0.000 0.213 1100 L C 2.796 179.656 176.870 -0.018 0.000 1.072 1100 L CA 0.606 55.432 54.840 -0.022 0.000 0.755 1100 L CB -0.460 41.590 42.059 -0.015 0.000 0.889 1100 L HN 0.137 nan 8.230 nan 0.000 0.432 1101 L N -0.654 120.564 121.223 -0.008 0.000 2.187 1101 L HA -0.191 4.148 4.340 -0.000 0.000 0.213 1101 L C 2.471 179.338 176.870 -0.005 0.000 1.100 1101 L CA 1.799 56.635 54.840 -0.006 0.000 0.765 1101 L CB -1.164 40.895 42.059 -0.001 0.000 0.904 1101 L HN 0.230 nan 8.230 nan 0.000 0.437 1102 T N -1.391 113.160 114.554 -0.006 0.000 2.937 1102 T HA 0.042 4.392 4.350 -0.000 0.000 0.260 1102 T C 1.882 176.577 174.700 -0.010 0.000 1.051 1102 T CA 0.924 63.022 62.100 -0.003 0.000 1.141 1102 T CB 0.060 68.928 68.868 0.000 0.000 0.879 1102 T HN 0.373 nan 8.240 nan 0.000 0.459 1103 A N 1.248 124.056 122.820 -0.020 0.000 1.930 1103 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 1103 A C 2.025 179.592 177.584 -0.030 0.000 1.176 1103 A CA 1.411 53.429 52.037 -0.031 0.000 0.632 1103 A CB -0.522 18.446 19.000 -0.054 0.000 0.819 1103 A HN 0.550 nan 8.150 nan 0.000 0.445 1104 E N -0.303 119.881 120.200 -0.026 0.000 2.164 1104 E HA -0.387 3.963 4.350 -0.000 0.000 0.233 1104 E C 2.242 178.832 176.600 -0.016 0.000 1.073 1104 E CA 2.178 58.565 56.400 -0.022 0.000 0.941 1104 E CB -0.186 29.505 29.700 -0.015 0.000 0.820 1104 E HN 0.372 nan 8.360 nan 0.000 0.486 1105 R N 0.124 120.617 120.500 -0.011 0.000 2.091 1105 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 1105 R C 2.306 178.600 176.300 -0.009 0.000 1.136 1105 R CA 2.365 58.460 56.100 -0.008 0.000 0.959 1105 R CB -1.157 29.140 30.300 -0.005 0.000 0.856 1105 R HN 0.272 nan 8.270 nan 0.000 0.437 1106 T N 0.908 115.454 114.554 -0.013 0.000 2.708 1106 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 1106 T C 1.768 176.456 174.700 -0.019 0.000 1.037 1106 T CA 1.676 63.766 62.100 -0.016 0.000 1.146 1106 T CB -0.258 68.599 68.868 -0.019 0.000 0.865 1106 T HN 0.339 nan 8.240 nan 0.000 0.435 1107 M N 0.437 120.022 119.600 -0.025 0.000 2.086 1107 M HA -0.088 4.392 4.480 -0.000 0.000 0.261 1107 M C 1.734 178.026 176.300 -0.013 0.000 1.067 1107 M CA 1.555 56.839 55.300 -0.028 0.000 1.116 1107 M CB -0.178 32.395 32.600 -0.045 0.000 1.348 1107 M HN 0.121 nan 8.290 nan 0.000 0.407 1108 L N 1.177 122.394 121.223 -0.009 0.000 2.056 1108 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 1108 L C 2.137 179.016 176.870 0.014 0.000 1.078 1108 L CA 1.614 56.455 54.840 0.001 0.000 0.749 1108 L CB -1.849 40.210 42.059 -0.000 0.000 0.901 1108 L HN 0.367 nan 8.230 nan 0.000 0.433 1109 N N -0.648 118.057 118.700 0.009 0.000 2.104 1109 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 1109 N C 1.773 177.304 175.510 0.035 0.000 1.024 1109 N CA 0.911 53.970 53.050 0.016 0.000 0.853 1109 N CB -0.359 38.125 38.487 -0.005 0.000 1.008 1109 N HN 0.106 nan 8.380 nan 0.000 0.424 1110 L N 0.808 122.044 121.223 0.022 0.000 1.988 1110 L HA -0.040 4.299 4.340 -0.000 0.000 0.207 1110 L C 2.387 179.303 176.870 0.076 0.000 1.071 1110 L CA 1.223 56.087 54.840 0.040 0.000 0.744 1110 L CB -1.360 40.703 42.059 0.008 0.000 0.893 1110 L HN 0.134 nan 8.230 nan 0.000 0.433 1111 V N -1.205 118.737 119.914 0.046 0.000 2.626 1111 V HA -0.053 4.067 4.120 -0.000 0.000 0.252 1111 V C 2.232 178.355 176.094 0.050 0.000 1.067 1111 V CA 1.723 64.050 62.300 0.047 0.000 1.081 1111 V CB -1.064 30.775 31.823 0.026 0.000 0.686 1111 V HN 0.410 nan 8.190 nan 0.000 0.468 1112 G N -0.834 107.998 108.800 0.054 0.000 2.408 1112 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 1112 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 1112 G C 1.421 176.362 174.900 0.067 0.000 1.150 1112 G CA 1.109 46.240 45.100 0.050 0.000 0.776 1112 G HN 0.733 nan 8.290 nan 0.000 0.542 1113 H N 0.514 119.587 119.070 0.005 0.000 2.299 1113 H HA 0.116 4.672 4.556 -0.000 0.000 0.302 1113 H C 2.551 177.883 175.328 0.006 0.000 1.078 1113 H CA 1.388 57.440 56.048 0.005 0.000 1.323 1113 H CB -0.264 29.501 29.762 0.004 0.000 1.381 1113 H HN 0.235 nan 8.280 nan 0.000 0.498 1114 L N -0.632 120.618 121.223 0.044 0.000 2.083 1114 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 1114 L C 2.562 179.399 176.870 -0.055 0.000 1.083 1114 L CA 1.296 56.129 54.840 -0.011 0.000 0.752 1114 L CB -0.448 41.664 42.059 0.087 0.000 0.899 1114 L HN 0.261 nan 8.230 nan 0.000 0.433 1115 S N 0.157 115.841 115.700 -0.027 0.000 2.368 1115 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 1115 S C 2.098 176.665 174.600 -0.055 0.000 1.029 1115 S CA 1.132 59.314 58.200 -0.031 0.000 0.988 1115 S CB -0.565 62.631 63.200 -0.007 0.000 0.838 1115 S HN 0.589 nan 8.310 nan 0.000 0.462 1116 G N 1.900 110.657 108.800 -0.070 0.000 2.476 1116 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 1116 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 1116 G C 1.334 176.170 174.900 -0.106 0.000 1.164 1116 G CA 0.917 45.970 45.100 -0.080 0.000 0.768 1116 G HN 0.486 nan 8.290 nan 0.000 0.560 1117 I N 1.284 121.748 120.570 -0.176 0.000 2.179 1117 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 1117 I C 3.289 179.342 176.117 -0.106 0.000 1.088 1117 I CA 1.002 62.204 61.300 -0.164 0.000 1.357 1117 I CB -0.220 37.655 38.000 -0.208 0.000 1.051 1117 I HN 0.253 nan 8.210 nan 0.000 0.409 1118 A N 0.122 122.882 122.820 -0.100 0.000 1.933 1118 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 1118 A C 2.367 179.925 177.584 -0.042 0.000 1.175 1118 A CA 2.321 54.307 52.037 -0.084 0.000 0.628 1118 A CB -0.991 17.952 19.000 -0.095 0.000 0.814 1118 A HN 0.378 nan 8.150 nan 0.000 0.444 1119 T N 0.151 114.686 114.554 -0.031 0.000 2.737 1119 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 1119 T C 2.266 176.981 174.700 0.026 0.000 1.038 1119 T CA 1.584 63.680 62.100 -0.006 0.000 1.144 1119 T CB -0.427 68.435 68.868 -0.010 0.000 0.866 1119 T HN 0.590 nan 8.240 nan 0.000 0.434 1120 A N 1.433 124.275 122.820 0.037 0.000 1.858 1120 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 1120 A C 2.620 180.334 177.584 0.217 0.000 1.190 1120 A CA 2.424 54.535 52.037 0.123 0.000 0.617 1120 A CB -1.425 17.634 19.000 0.099 0.000 0.827 1120 A HN 0.570 nan 8.150 nan 0.000 0.443 1121 T N -1.271 113.336 114.554 0.088 0.000 2.833 1121 T HA -0.010 4.340 4.350 -0.000 0.000 0.269 1121 T C 1.857 176.631 174.700 0.124 0.000 1.054 1121 T CA 1.994 64.142 62.100 0.079 0.000 1.135 1121 T CB -0.501 68.337 68.868 -0.050 0.000 0.869 1121 T HN 0.594 nan 8.240 nan 0.000 0.466 1122 A N 1.185 124.048 122.820 0.072 0.000 1.969 1122 A HA 0.373 4.693 4.320 -0.000 0.000 0.218 1122 A C 2.822 180.451 177.584 0.074 0.000 1.169 1122 A CA 1.789 53.859 52.037 0.055 0.000 0.635 1122 A CB -1.321 17.691 19.000 0.020 0.000 0.810 1122 A HN 0.804 nan 8.150 nan 0.000 0.445 1123 A N -1.237 121.636 122.820 0.087 0.000 1.873 1123 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 1123 A C 1.935 179.536 177.584 0.028 0.000 1.186 1123 A CA 1.343 53.395 52.037 0.026 0.000 0.616 1123 A CB -0.875 18.115 19.000 -0.017 0.000 0.823 1123 A HN 0.705 nan 8.150 nan 0.000 0.442 1124 W N -0.121 121.167 121.300 -0.021 0.000 2.358 1124 W HA -0.135 4.525 4.660 0.000 0.000 0.303 1124 W C 2.323 178.837 176.519 -0.009 0.000 1.208 1124 W CA 1.602 58.938 57.345 -0.015 0.000 1.274 1124 W CB -0.704 28.741 29.460 -0.025 0.000 1.138 1124 W HN 0.126 nan 8.180 nan 0.000 0.515 1125 V N 0.336 120.384 119.914 0.224 0.000 2.407 1125 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 1125 V C 1.807 177.947 176.094 0.075 0.000 1.055 1125 V CA 2.178 64.553 62.300 0.124 0.000 1.049 1125 V CB -0.800 31.072 31.823 0.081 0.000 0.662 1125 V HN 0.088 nan 8.190 nan 0.000 0.455 1126 D N 0.372 120.803 120.400 0.050 0.000 2.117 1126 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 1126 D C 2.272 178.577 176.300 0.008 0.000 0.982 1126 D CA 1.524 55.535 54.000 0.019 0.000 0.828 1126 D CB -0.351 40.449 40.800 -0.000 0.000 0.967 1126 D HN 0.421 nan 8.370 nan 0.000 0.464 1127 A N 0.732 123.548 122.820 -0.006 0.000 1.948 1127 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 1127 A C 2.077 179.667 177.584 0.010 0.000 1.177 1127 A CA 1.906 53.924 52.037 -0.032 0.000 0.636 1127 A CB -0.481 18.454 19.000 -0.109 0.000 0.815 1127 A HN 0.262 nan 8.150 nan 0.000 0.449 1128 V N -2.532 117.412 119.914 0.050 0.000 3.177 1128 V HA 0.352 4.471 4.120 -0.000 0.000 0.342 1128 V C 0.512 176.631 176.094 0.041 0.000 1.379 1128 V CA -0.187 62.147 62.300 0.058 0.000 1.191 1128 V CB -1.067 30.813 31.823 0.094 0.000 1.167 1128 V HN 0.458 nan 8.190 nan 0.000 0.471 1129 R N 0.826 121.344 120.500 0.029 0.000 2.643 1129 R HA 0.487 4.827 4.340 -0.000 0.000 0.270 1129 R C 1.368 177.676 176.300 0.014 0.000 1.061 1129 R CA 1.200 57.313 56.100 0.021 0.000 1.107 1129 R CB 0.461 30.770 30.300 0.015 0.000 0.999 1129 R HN 0.885 nan 8.270 nan 0.000 0.460 1130 G N 1.606 110.412 108.800 0.011 0.000 2.176 1130 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.253 1130 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.253 1130 G C 0.128 175.032 174.900 0.006 0.000 0.979 1130 G CA 0.430 45.534 45.100 0.007 0.000 0.641 1130 G HN 0.688 nan 8.290 nan 0.000 0.530 1131 T N -0.770 113.789 114.554 0.009 0.000 2.940 1131 T HA 0.574 4.924 4.350 -0.000 0.000 0.288 1131 T C 1.469 176.167 174.700 -0.004 0.000 1.045 1131 T CA 0.097 62.201 62.100 0.006 0.000 1.018 1131 T CB 1.428 70.307 68.868 0.020 0.000 1.151 1131 T HN 0.369 nan 8.240 nan 0.000 0.529 1132 K N 0.598 120.986 120.400 -0.020 0.000 2.356 1132 K HA 0.431 4.751 4.320 -0.000 0.000 0.195 1132 K C 0.862 177.424 176.600 -0.063 0.000 1.037 1132 K CA -0.037 56.225 56.287 -0.042 0.000 1.014 1132 K CB 0.124 32.587 32.500 -0.062 0.000 0.815 1132 K HN 0.471 nan 8.250 nan 0.000 0.507 1133 A N 2.072 124.864 122.820 -0.047 0.000 2.561 1133 A HA 0.084 4.404 4.320 -0.000 0.000 0.234 1133 A C -0.720 176.877 177.584 0.023 0.000 1.055 1133 A CA 0.262 52.275 52.037 -0.041 0.000 0.756 1133 A CB 0.043 19.053 19.000 0.017 0.000 0.986 1133 A HN 0.379 nan 8.150 nan 0.000 0.505 1134 K N 1.513 121.963 120.400 0.083 0.000 2.207 1134 K HA 0.546 4.866 4.320 -0.000 0.000 0.255 1134 K C -0.599 176.104 176.600 0.171 0.000 0.941 1134 K CA -0.516 55.868 56.287 0.162 0.000 0.825 1134 K CB 1.666 34.331 32.500 0.275 0.000 1.119 1134 K HN 0.538 nan 8.250 nan 0.000 0.430 1135 I N 3.377 123.998 120.570 0.086 0.000 2.371 1135 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 1135 I C 0.250 176.329 176.117 -0.062 0.000 1.028 1135 I CA -0.190 61.116 61.300 0.011 0.000 1.345 1135 I CB 0.522 38.530 38.000 0.014 0.000 1.407 1135 I HN 0.464 nan 8.210 nan 0.000 0.501 1136 R N 3.913 124.335 120.500 -0.129 0.000 2.803 1136 R HA 0.423 4.763 4.340 -0.000 0.000 0.276 1136 R C -0.737 175.463 176.300 -0.166 0.000 0.978 1136 R CA -0.865 55.130 56.100 -0.175 0.000 0.939 1136 R CB 2.135 32.250 30.300 -0.309 0.000 1.179 1136 R HN 0.585 nan 8.270 nan 0.000 0.472 1137 D N -0.222 120.111 120.400 -0.111 0.000 2.511 1137 D HA 0.338 4.978 4.640 -0.000 0.000 0.276 1137 D C 0.346 176.626 176.300 -0.032 0.000 1.220 1137 D CA -0.347 53.592 54.000 -0.101 0.000 1.077 1137 D CB 0.483 41.233 40.800 -0.083 0.000 1.126 1137 D HN 0.539 nan 8.370 nan 0.000 0.583 1138 T N -4.623 109.906 114.554 -0.042 0.000 2.669 1138 T HA 0.493 4.843 4.350 -0.000 0.000 0.283 1138 T C 0.301 174.986 174.700 -0.026 0.000 1.019 1138 T CA -1.052 61.034 62.100 -0.023 0.000 1.039 1138 T CB 1.167 70.024 68.868 -0.019 0.000 1.374 1138 T HN 0.304 nan 8.240 nan 0.000 0.523 1139 R N 0.249 120.733 120.500 -0.026 0.000 2.466 1139 R HA 0.223 4.562 4.340 -0.000 0.000 0.279 1139 R C 0.101 176.411 176.300 0.017 0.000 0.976 1139 R CA -0.198 55.895 56.100 -0.012 0.000 1.081 1139 R CB 0.155 30.438 30.300 -0.028 0.000 1.215 1139 R HN 0.392 nan 8.270 nan 0.000 0.546 1140 K N 2.084 122.506 120.400 0.037 0.000 2.518 1140 K HA 0.062 4.381 4.320 -0.000 0.000 0.244 1140 K C 0.033 176.685 176.600 0.087 0.000 1.232 1140 K CA 0.109 56.448 56.287 0.086 0.000 1.189 1140 K CB 0.453 33.071 32.500 0.197 0.000 1.737 1140 K HN 0.092 nan 8.250 nan 0.000 0.333 1141 T N -2.034 112.556 114.554 0.060 0.000 2.940 1141 T HA 0.391 4.741 4.350 -0.000 0.000 0.288 1141 T C 0.065 174.802 174.700 0.062 0.000 1.033 1141 T CA -1.118 61.019 62.100 0.062 0.000 1.033 1141 T CB 1.383 70.280 68.868 0.050 0.000 1.079 1141 T HN -0.034 nan 8.240 nan 0.000 0.496 1142 L N 2.981 124.243 121.223 0.066 0.000 2.349 1142 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 1142 L C -1.918 174.967 176.870 0.026 0.000 1.115 1142 L CA -2.334 52.530 54.840 0.040 0.000 0.820 1142 L CB 0.316 42.386 42.059 0.018 0.000 1.135 1142 L HN 0.600 nan 8.230 nan 0.000 0.445 1143 P HA 0.090 nan 4.420 nan 0.000 0.262 1143 P C 0.749 178.056 177.300 0.011 0.000 1.199 1143 P CA 0.644 63.755 63.100 0.019 0.000 0.763 1143 P CB 0.662 32.370 31.700 0.014 0.000 0.790 1144 G N 2.925 111.738 108.800 0.023 0.000 2.195 1144 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 1144 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 1144 G C 0.483 175.375 174.900 -0.013 0.000 0.984 1144 G CA 0.114 45.220 45.100 0.010 0.000 0.633 1144 G HN 0.500 nan 8.290 nan 0.000 0.525 1145 L N -0.164 121.057 121.223 -0.003 0.000 2.858 1145 L HA 0.371 4.711 4.340 -0.000 0.000 0.251 1145 L C 2.321 179.199 176.870 0.015 0.000 1.149 1145 L CA 0.336 55.171 54.840 -0.009 0.000 0.955 1145 L CB 0.085 42.142 42.059 -0.005 0.000 1.289 1145 L HN 0.239 nan 8.230 nan 0.000 0.542 1146 R N 1.640 122.162 120.500 0.036 0.000 2.133 1146 R HA -0.271 4.069 4.340 -0.000 0.000 0.245 1146 R C 2.261 178.589 176.300 0.047 0.000 1.137 1146 R CA 2.251 58.386 56.100 0.060 0.000 0.947 1146 R CB -0.230 30.126 30.300 0.094 0.000 0.865 1146 R HN 0.345 nan 8.270 nan 0.000 0.437 1147 A N 0.762 123.579 122.820 -0.005 0.000 1.908 1147 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 1147 A C 2.265 179.804 177.584 -0.076 0.000 1.181 1147 A CA 1.610 53.582 52.037 -0.109 0.000 0.627 1147 A CB -0.553 18.079 19.000 -0.612 0.000 0.818 1147 A HN 0.403 nan 8.150 nan 0.000 0.445 1148 L N -1.068 120.112 121.223 -0.073 0.000 2.072 1148 L HA -0.216 4.124 4.340 -0.000 0.000 0.205 1148 L C 2.938 179.877 176.870 0.115 0.000 1.079 1148 L CA 1.410 56.263 54.840 0.022 0.000 0.752 1148 L CB -0.643 41.415 42.059 -0.003 0.000 0.906 1148 L HN 0.486 nan 8.230 nan 0.000 0.436 1149 Q N 0.009 119.857 119.800 0.079 0.000 2.050 1149 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 1149 Q C 2.224 178.241 176.000 0.029 0.000 0.980 1149 Q CA 1.429 57.268 55.803 0.060 0.000 0.840 1149 Q CB -0.114 28.663 28.738 0.065 0.000 0.898 1149 Q HN 0.212 nan 8.270 nan 0.000 0.424 1150 K N 0.332 120.761 120.400 0.047 0.000 2.103 1150 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 1150 K C 1.765 178.390 176.600 0.043 0.000 1.048 1150 K CA 1.195 57.506 56.287 0.041 0.000 0.930 1150 K CB -0.459 32.085 32.500 0.074 0.000 0.716 1150 K HN 0.267 nan 8.250 nan 0.000 0.444 1151 Y N 0.289 120.571 120.300 -0.029 0.000 2.181 1151 Y HA -0.161 4.389 4.550 -0.000 0.000 0.288 1151 Y C 1.908 177.789 175.900 -0.031 0.000 1.146 1151 Y CA 1.505 59.586 58.100 -0.032 0.000 1.164 1151 Y CB -0.581 37.848 38.460 -0.052 0.000 0.982 1151 Y HN 0.045 nan 8.280 nan 0.000 0.515 1152 A N 0.121 122.813 122.820 -0.213 0.000 1.902 1152 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 1152 A C 2.411 179.852 177.584 -0.237 0.000 1.181 1152 A CA 2.304 54.181 52.037 -0.267 0.000 0.623 1152 A CB -1.664 17.273 19.000 -0.106 0.000 0.818 1152 A HN 0.636 nan 8.150 nan 0.000 0.443 1153 V N -1.220 118.596 119.914 -0.163 0.000 2.407 1153 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 1153 V C 2.236 178.244 176.094 -0.142 0.000 1.055 1153 V CA 2.385 64.602 62.300 -0.138 0.000 1.049 1153 V CB -0.870 30.881 31.823 -0.119 0.000 0.662 1153 V HN 0.550 nan 8.190 nan 0.000 0.455 1154 R N -0.061 120.340 120.500 -0.164 0.000 2.096 1154 R HA -0.119 4.220 4.340 -0.000 0.000 0.235 1154 R C 2.355 178.546 176.300 -0.183 0.000 1.127 1154 R CA 2.046 58.059 56.100 -0.144 0.000 0.968 1154 R CB -0.559 29.668 30.300 -0.123 0.000 0.861 1154 R HN 0.662 nan 8.270 nan 0.000 0.440 1155 T N -1.024 113.345 114.554 -0.309 0.000 2.915 1155 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 1155 T C 1.495 176.103 174.700 -0.153 0.000 1.071 1155 T CA 1.241 63.173 62.100 -0.281 0.000 1.132 1155 T CB -0.047 68.551 68.868 -0.449 0.000 0.878 1155 T HN 0.479 nan 8.240 nan 0.000 0.479 1156 G N -0.113 108.607 108.800 -0.134 0.000 2.813 1156 G HA2 0.374 4.334 3.960 -0.000 0.000 0.209 1156 G HA3 0.374 4.334 3.960 -0.000 0.000 0.209 1156 G C 1.129 176.004 174.900 -0.043 0.000 1.150 1156 G CA 0.476 45.532 45.100 -0.073 0.000 0.785 1156 G HN 0.717 nan 8.290 nan 0.000 0.535 1157 G N -1.611 107.157 108.800 -0.053 0.000 2.192 1157 G HA2 0.023 3.983 3.960 -0.000 0.000 0.193 1157 G HA3 0.023 3.983 3.960 -0.000 0.000 0.193 1157 G C 0.729 175.619 174.900 -0.017 0.000 0.999 1157 G CA 0.137 45.223 45.100 -0.024 0.000 0.659 1157 G HN 0.929 nan 8.290 nan 0.000 0.503 1158 G N -0.804 107.974 108.800 -0.037 0.000 2.588 1158 G HA2 0.723 4.683 3.960 -0.000 0.000 0.281 1158 G HA3 0.723 4.683 3.960 -0.000 0.000 0.281 1158 G C 0.124 174.999 174.900 -0.042 0.000 1.236 1158 G CA 0.284 45.361 45.100 -0.040 0.000 0.969 1158 G HN 1.598 nan 8.290 nan 0.000 0.504 1159 V N -1.221 118.663 119.914 -0.051 0.000 2.735 1159 V HA 0.572 4.692 4.120 -0.000 0.000 0.310 1159 V C -0.700 175.350 176.094 -0.073 0.000 1.061 1159 V CA -1.465 60.803 62.300 -0.052 0.000 0.913 1159 V CB 1.800 33.597 31.823 -0.043 0.000 1.005 1159 V HN 0.560 nan 8.190 nan 0.000 0.428 1160 N N 2.987 121.663 118.700 -0.040 0.000 2.518 1160 N HA 0.310 5.049 4.740 -0.000 0.000 0.266 1160 N C 0.039 175.555 175.510 0.011 0.000 1.196 1160 N CA 0.104 53.148 53.050 -0.010 0.000 0.947 1160 N CB 0.899 39.399 38.487 0.022 0.000 1.098 1160 N HN 1.046 nan 8.380 nan 0.000 0.450 1161 H N 1.595 120.603 119.070 -0.104 0.000 4.634 1161 H HA 0.324 4.880 4.556 -0.000 0.000 0.143 1161 H C -0.067 175.215 175.328 -0.076 0.000 1.374 1161 H CA -0.407 55.565 56.048 -0.126 0.000 1.270 1161 H CB 0.822 30.492 29.762 -0.152 0.000 1.619 1161 H HN 0.251 nan 8.280 nan 0.000 0.354 1162 R N 1.779 122.153 120.500 -0.210 0.000 2.297 1162 R HA 0.157 4.497 4.340 -0.000 0.000 0.308 1162 R C 0.734 176.981 176.300 -0.088 0.000 1.029 1162 R CA -0.169 55.797 56.100 -0.225 0.000 0.929 1162 R CB 1.414 31.476 30.300 -0.396 0.000 1.046 1162 R HN 0.518 nan 8.270 nan 0.000 0.461 1163 L N 1.125 122.324 121.223 -0.041 0.000 2.418 1163 L HA 0.166 4.506 4.340 -0.000 0.000 0.218 1163 L C 1.165 178.035 176.870 0.000 0.000 1.125 1163 L CA 0.394 55.240 54.840 0.010 0.000 0.835 1163 L CB 0.058 42.136 42.059 0.032 0.000 0.953 1163 L HN 0.817 nan 8.230 nan 0.000 0.454 1164 G N -2.142 106.636 108.800 -0.037 0.000 2.342 1164 G HA2 0.230 4.190 3.960 -0.000 0.000 0.297 1164 G HA3 0.230 4.190 3.960 -0.000 0.000 0.297 1164 G C -0.495 174.372 174.900 -0.054 0.000 1.313 1164 G CA -0.752 44.327 45.100 -0.035 0.000 0.830 1164 G HN -0.335 nan 8.290 nan 0.000 0.506 1165 L N 0.983 122.180 121.223 -0.043 0.000 2.131 1165 L HA 0.124 4.464 4.340 -0.000 0.000 0.210 1165 L C 2.800 179.638 176.870 -0.053 0.000 1.092 1165 L CA 2.736 57.550 54.840 -0.044 0.000 0.759 1165 L CB -0.927 41.113 42.059 -0.031 0.000 0.903 1165 L HN 0.794 nan 8.230 nan 0.000 0.435 1166 G N -2.247 106.520 108.800 -0.054 0.000 2.880 1166 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.209 1166 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.209 1166 G C 1.149 176.015 174.900 -0.056 0.000 1.157 1166 G CA 0.335 45.401 45.100 -0.056 0.000 0.779 1166 G HN 0.317 nan 8.290 nan 0.000 0.539 1167 D N 0.732 121.095 120.400 -0.060 0.000 2.103 1167 D HA 0.157 4.797 4.640 -0.000 0.000 0.190 1167 D C 1.424 177.695 176.300 -0.047 0.000 0.997 1167 D CA 1.800 55.767 54.000 -0.057 0.000 0.833 1167 D CB 0.098 40.855 40.800 -0.071 0.000 0.961 1167 D HN 0.418 nan 8.370 nan 0.000 0.447 1168 A N -1.275 121.512 122.820 -0.055 0.000 2.593 1168 A HA 0.763 5.083 4.320 -0.000 0.000 0.290 1168 A C -1.476 176.080 177.584 -0.046 0.000 1.126 1168 A CA -0.321 51.693 52.037 -0.039 0.000 0.695 1168 A CB 1.402 20.386 19.000 -0.026 0.000 1.290 1168 A HN 0.136 nan 8.150 nan 0.000 0.414 1169 A N 0.738 123.537 122.820 -0.035 0.000 2.320 1169 A HA 0.592 4.912 4.320 -0.000 0.000 0.287 1169 A C -0.534 177.035 177.584 -0.025 0.000 1.181 1169 A CA -0.246 51.765 52.037 -0.044 0.000 0.831 1169 A CB 0.196 19.170 19.000 -0.043 0.000 1.102 1169 A HN 1.302 nan 8.150 nan 0.000 0.513 1170 L N 5.132 126.342 121.223 -0.021 0.000 2.353 1170 L HA 0.461 4.801 4.340 -0.000 0.000 0.270 1170 L C -1.295 175.635 176.870 0.100 0.000 1.003 1170 L CA -0.543 54.311 54.840 0.023 0.000 0.862 1170 L CB 0.650 42.712 42.059 0.005 0.000 1.221 1170 L HN 0.639 nan 8.230 nan 0.000 0.430 1171 I N 5.332 125.965 120.570 0.105 0.000 2.452 1171 I HA 0.153 4.323 4.170 -0.000 0.000 0.287 1171 I C 0.584 176.809 176.117 0.180 0.000 1.079 1171 I CA 0.493 61.919 61.300 0.211 0.000 1.387 1171 I CB 0.629 38.696 38.000 0.113 0.000 1.404 1171 I HN 0.503 nan 8.210 nan 0.000 0.522 1172 K N 4.438 124.958 120.400 0.200 0.000 2.393 1172 K HA 0.286 4.605 4.320 -0.000 0.000 0.241 1172 K C 0.834 177.356 176.600 -0.131 0.000 1.055 1172 K CA -0.709 55.541 56.287 -0.060 0.000 0.951 1172 K CB 0.834 33.211 32.500 -0.206 0.000 1.285 1172 K HN 0.587 nan 8.250 nan 0.000 0.500 1173 D N 0.713 121.039 120.400 -0.124 0.000 2.116 1173 D HA -0.265 4.375 4.640 -0.000 0.000 0.193 1173 D C 0.799 177.021 176.300 -0.130 0.000 0.998 1173 D CA 1.649 55.594 54.000 -0.091 0.000 0.836 1173 D CB -0.494 40.266 40.800 -0.067 0.000 0.951 1173 D HN 0.431 nan 8.370 nan 0.000 0.449 1174 N N 0.923 119.475 118.700 -0.246 0.000 2.149 1174 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 1174 N C 1.799 177.216 175.510 -0.155 0.000 1.019 1174 N CA 1.183 54.096 53.050 -0.230 0.000 0.857 1174 N CB -0.506 37.798 38.487 -0.305 0.000 0.997 1174 N HN 0.473 nan 8.380 nan 0.000 0.426 1175 H N 0.923 119.992 119.070 -0.001 0.000 2.333 1175 H HA 0.080 4.635 4.556 -0.000 0.000 0.302 1175 H C 2.540 177.869 175.328 0.001 0.000 1.075 1175 H CA 0.370 56.417 56.048 -0.001 0.000 1.348 1175 H CB -0.684 29.075 29.762 -0.004 0.000 1.393 1175 H HN -0.042 nan 8.280 nan 0.000 0.509 1176 V N 1.738 121.708 119.914 0.093 0.000 2.282 1176 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 1176 V C 2.844 178.961 176.094 0.038 0.000 1.057 1176 V CA 1.840 64.174 62.300 0.056 0.000 1.032 1176 V CB -1.168 30.674 31.823 0.031 0.000 0.645 1176 V HN 0.508 nan 8.190 nan 0.000 0.447 1177 A N 0.063 122.896 122.820 0.021 0.000 1.859 1177 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 1177 A C 2.461 180.060 177.584 0.025 0.000 1.198 1177 A CA 2.699 54.745 52.037 0.015 0.000 0.629 1177 A CB -1.122 17.878 19.000 -0.001 0.000 0.830 1177 A HN 0.646 nan 8.150 nan 0.000 0.446 1178 A N -0.576 122.267 122.820 0.038 0.000 1.940 1178 A HA 0.131 4.451 4.320 -0.000 0.000 0.219 1178 A C 2.443 180.049 177.584 0.036 0.000 1.176 1178 A CA 2.285 54.347 52.037 0.041 0.000 0.631 1178 A CB -0.917 18.121 19.000 0.063 0.000 0.814 1178 A HN 1.183 nan 8.150 nan 0.000 0.446 1179 A N -2.542 120.304 122.820 0.043 0.000 2.016 1179 A HA 0.379 4.699 4.320 -0.000 0.000 0.217 1179 A C 2.067 179.666 177.584 0.025 0.000 1.162 1179 A CA 1.660 53.716 52.037 0.032 0.000 0.662 1179 A CB -0.586 18.437 19.000 0.037 0.000 0.812 1179 A HN 1.800 nan 8.150 nan 0.000 0.450 1180 G N -1.621 107.194 108.800 0.025 0.000 2.659 1180 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.202 1180 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.202 1180 G C 0.484 175.396 174.900 0.020 0.000 1.186 1180 G CA 0.550 45.661 45.100 0.020 0.000 0.783 1180 G HN 1.875 nan 8.290 nan 0.000 0.521 1181 S N -0.963 114.751 115.700 0.023 0.000 2.671 1181 S HA 0.683 5.153 4.470 -0.000 0.000 0.277 1181 S C 1.091 175.708 174.600 0.029 0.000 1.165 1181 S CA 0.350 58.565 58.200 0.024 0.000 0.822 1181 S CB 1.657 64.870 63.200 0.021 0.000 1.150 1181 S HN 1.129 nan 8.310 nan 0.000 0.479 1182 V N 0.982 120.914 119.914 0.030 0.000 2.343 1182 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 1182 V C 2.368 178.480 176.094 0.030 0.000 1.051 1182 V CA 1.883 64.203 62.300 0.034 0.000 1.036 1182 V CB -1.289 30.554 31.823 0.033 0.000 0.654 1182 V HN 0.737 nan 8.190 nan 0.000 0.451 1183 V N 0.216 120.145 119.914 0.025 0.000 2.515 1183 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 1183 V C 2.314 178.419 176.094 0.019 0.000 1.058 1183 V CA 1.878 64.190 62.300 0.021 0.000 1.064 1183 V CB -0.740 31.094 31.823 0.019 0.000 0.675 1183 V HN 0.506 nan 8.190 nan 0.000 0.461 1184 D N 0.939 121.352 120.400 0.021 0.000 2.084 1184 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 1184 D C 2.305 178.616 176.300 0.019 0.000 0.990 1184 D CA 1.822 55.833 54.000 0.018 0.000 0.826 1184 D CB -0.341 40.471 40.800 0.020 0.000 0.971 1184 D HN 0.415 nan 8.370 nan 0.000 0.453 1185 A N 0.894 123.732 122.820 0.029 0.000 1.908 1185 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 1185 A C 2.376 179.970 177.584 0.017 0.000 1.181 1185 A CA 0.962 53.019 52.037 0.033 0.000 0.627 1185 A CB -0.858 18.181 19.000 0.066 0.000 0.818 1185 A HN 0.252 nan 8.150 nan 0.000 0.445 1186 L N -1.128 120.107 121.223 0.020 0.000 2.017 1186 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 1186 L C 2.841 179.714 176.870 0.005 0.000 1.073 1186 L CA 1.177 56.025 54.840 0.013 0.000 0.745 1186 L CB -0.257 41.813 42.059 0.017 0.000 0.894 1186 L HN 0.288 nan 8.230 nan 0.000 0.432 1187 R N -0.124 120.380 120.500 0.007 0.000 2.073 1187 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 1187 R C 2.194 178.493 176.300 -0.002 0.000 1.134 1187 R CA 1.400 57.502 56.100 0.003 0.000 0.952 1187 R CB -1.251 29.052 30.300 0.005 0.000 0.850 1187 R HN 0.437 nan 8.270 nan 0.000 0.433 1188 A N 0.830 123.648 122.820 -0.003 0.000 1.859 1188 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 1188 A C 2.509 180.082 177.584 -0.019 0.000 1.198 1188 A CA 2.272 54.303 52.037 -0.010 0.000 0.629 1188 A CB -0.919 18.075 19.000 -0.010 0.000 0.830 1188 A HN 0.117 nan 8.150 nan 0.000 0.446 1189 V N 0.252 120.152 119.914 -0.024 0.000 2.407 1189 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 1189 V C 2.691 178.772 176.094 -0.022 0.000 1.055 1189 V CA 2.027 64.308 62.300 -0.033 0.000 1.049 1189 V CB -0.907 30.892 31.823 -0.040 0.000 0.662 1189 V HN 0.452 nan 8.190 nan 0.000 0.455 1190 R N 0.577 121.069 120.500 -0.013 0.000 2.117 1190 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 1190 R C 1.989 178.283 176.300 -0.010 0.000 1.143 1190 R CA 1.476 57.570 56.100 -0.009 0.000 0.968 1190 R CB -0.885 29.413 30.300 -0.003 0.000 0.863 1190 R HN 0.637 nan 8.270 nan 0.000 0.444 1191 N N 0.012 118.706 118.700 -0.011 0.000 2.290 1191 N HA -0.014 4.726 4.740 -0.000 0.000 0.179 1191 N C 1.661 177.162 175.510 -0.015 0.000 1.016 1191 N CA 0.900 53.943 53.050 -0.011 0.000 0.871 1191 N CB 0.107 38.588 38.487 -0.009 0.000 0.987 1191 N HN 0.152 nan 8.380 nan 0.000 0.431 1192 A N 0.939 123.747 122.820 -0.020 0.000 1.897 1192 A HA 0.236 4.556 4.320 -0.000 0.000 0.215 1192 A C 1.259 178.828 177.584 -0.025 0.000 1.181 1192 A CA 1.350 53.373 52.037 -0.024 0.000 0.620 1192 A CB -0.010 18.971 19.000 -0.032 0.000 0.821 1192 A HN 0.238 nan 8.150 nan 0.000 0.443 1193 A N -0.599 122.205 122.820 -0.025 0.000 3.258 1193 A HA 0.560 4.880 4.320 -0.000 0.000 0.318 1193 A C -1.529 176.044 177.584 -0.019 0.000 0.990 1193 A CA -0.794 51.228 52.037 -0.024 0.000 0.885 1193 A CB 0.403 19.384 19.000 -0.031 0.000 1.090 1193 A HN 0.208 nan 8.150 nan 0.000 0.479 1194 P HA -0.204 nan 4.420 nan 0.000 0.221 1194 P C 0.557 177.852 177.300 -0.009 0.000 1.145 1194 P CA 1.539 64.633 63.100 -0.010 0.000 0.795 1194 P CB 0.186 31.881 31.700 -0.009 0.000 0.775 1195 D N -0.969 119.425 120.400 -0.011 0.000 2.249 1195 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 1195 D C 0.925 177.219 176.300 -0.010 0.000 0.962 1195 D CA 0.058 54.053 54.000 -0.010 0.000 0.860 1195 D CB -0.564 40.228 40.800 -0.013 0.000 0.955 1195 D HN 0.131 nan 8.370 nan 0.000 0.505 1196 L N 1.954 123.169 121.223 -0.013 0.000 2.397 1196 L HA 0.298 4.638 4.340 -0.000 0.000 0.271 1196 L C -2.305 174.560 176.870 -0.008 0.000 1.148 1196 L CA -1.711 53.120 54.840 -0.015 0.000 0.825 1196 L CB 0.818 42.863 42.059 -0.023 0.000 1.117 1196 L HN -0.237 nan 8.230 nan 0.000 0.456 1197 P HA 0.140 nan 4.420 nan 0.000 0.276 1197 P C -1.016 176.288 177.300 0.007 0.000 1.235 1197 P CA -0.315 62.789 63.100 0.007 0.000 0.772 1197 P CB 0.491 32.201 31.700 0.016 0.000 0.871 1198 C N 3.914 123.221 119.300 0.011 0.000 2.369 1198 C HA 0.350 4.810 4.460 -0.000 0.000 0.358 1198 C C 0.380 175.385 174.990 0.025 0.000 1.274 1198 C CA -0.103 58.922 59.018 0.012 0.000 1.935 1198 C CB -0.424 27.323 27.740 0.010 0.000 2.431 1198 C HN 0.560 nan 8.230 nan 0.000 0.545 1199 E N 1.529 121.745 120.200 0.028 0.000 2.260 1199 E HA 0.488 4.837 4.350 -0.000 0.000 0.266 1199 E C -1.365 175.257 176.600 0.035 0.000 0.887 1199 E CA -0.350 56.074 56.400 0.041 0.000 0.777 1199 E CB 2.224 31.962 29.700 0.063 0.000 1.205 1199 E HN 0.435 nan 8.360 nan 0.000 0.414 1200 V N 2.556 122.487 119.914 0.029 0.000 2.540 1200 V HA 0.326 4.446 4.120 -0.000 0.000 0.302 1200 V C -0.827 175.274 176.094 0.012 0.000 1.035 1200 V CA -0.525 61.792 62.300 0.028 0.000 0.873 1200 V CB 1.740 33.580 31.823 0.028 0.000 0.992 1200 V HN 0.744 nan 8.190 nan 0.000 0.428 1201 E N 4.779 124.987 120.200 0.013 0.000 2.152 1201 E HA 0.517 4.867 4.350 -0.000 0.000 0.285 1201 E C -0.658 175.938 176.600 -0.006 0.000 1.043 1201 E CA -0.453 55.941 56.400 -0.009 0.000 0.839 1201 E CB 1.499 31.197 29.700 -0.004 0.000 1.069 1201 E HN 0.823 nan 8.360 nan 0.000 0.399 1202 V N 2.081 121.978 119.914 -0.028 0.000 2.581 1202 V HA 0.453 4.573 4.120 -0.000 0.000 0.303 1202 V C -0.187 175.960 176.094 0.088 0.000 1.041 1202 V CA -0.655 61.661 62.300 0.028 0.000 0.907 1202 V CB 1.867 33.718 31.823 0.046 0.000 0.994 1202 V HN 0.730 nan 8.190 nan 0.000 0.442 1203 D N 1.655 122.162 120.400 0.178 0.000 2.501 1203 D HA 0.281 4.921 4.640 -0.000 0.000 0.224 1203 D C 0.318 176.816 176.300 0.330 0.000 1.202 1203 D CA 0.554 54.727 54.000 0.288 0.000 0.829 1203 D CB 0.295 41.179 40.800 0.139 0.000 1.023 1203 D HN 0.994 nan 8.370 nan 0.000 0.499 1204 S N -1.401 114.489 115.700 0.318 0.000 2.588 1204 S HA 0.392 4.861 4.470 -0.000 0.000 0.269 1204 S C 0.348 175.026 174.600 0.129 0.000 1.157 1204 S CA -0.876 57.359 58.200 0.057 0.000 0.824 1204 S CB 0.789 64.001 63.200 0.020 0.000 1.126 1204 S HN -0.023 nan 8.310 nan 0.000 0.464 1205 L N 0.795 121.976 121.223 -0.071 0.000 2.217 1205 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 1205 L C 2.259 179.165 176.870 0.061 0.000 1.107 1205 L CA 1.146 56.001 54.840 0.026 0.000 0.783 1205 L CB -0.451 41.563 42.059 -0.074 0.000 0.919 1205 L HN 0.735 nan 8.230 nan 0.000 0.442 1206 E N -0.083 120.140 120.200 0.038 0.000 2.072 1206 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 1206 E C 2.190 178.822 176.600 0.054 0.000 0.985 1206 E CA 1.070 57.495 56.400 0.041 0.000 0.801 1206 E CB -0.124 29.594 29.700 0.030 0.000 0.750 1206 E HN 0.443 nan 8.360 nan 0.000 0.452 1207 Q N -0.155 119.685 119.800 0.068 0.000 2.170 1207 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 1207 Q C 2.190 178.234 176.000 0.073 0.000 0.976 1207 Q CA 0.844 56.688 55.803 0.068 0.000 0.858 1207 Q CB -0.155 28.628 28.738 0.075 0.000 0.907 1207 Q HN 0.209 nan 8.270 nan 0.000 0.433 1208 L N 1.374 122.659 121.223 0.104 0.000 1.989 1208 L HA -0.229 4.110 4.340 -0.000 0.000 0.211 1208 L C 1.530 178.439 176.870 0.065 0.000 1.071 1208 L CA 1.990 56.887 54.840 0.095 0.000 0.749 1208 L CB -0.444 41.704 42.059 0.148 0.000 0.890 1208 L HN 0.108 nan 8.230 nan 0.000 0.431 1209 D N -0.064 120.374 120.400 0.063 0.000 2.149 1209 D HA -0.197 4.443 4.640 -0.000 0.000 0.198 1209 D C 2.166 178.489 176.300 0.039 0.000 0.990 1209 D CA 1.531 55.559 54.000 0.047 0.000 0.839 1209 D CB -0.236 40.591 40.800 0.044 0.000 0.948 1209 D HN 0.556 nan 8.370 nan 0.000 0.460 1210 A N 0.663 123.507 122.820 0.039 0.000 1.898 1210 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 1210 A C 2.411 180.013 177.584 0.029 0.000 1.181 1210 A CA 1.975 54.032 52.037 0.032 0.000 0.620 1210 A CB -0.514 18.505 19.000 0.033 0.000 0.819 1210 A HN 0.258 nan 8.150 nan 0.000 0.442 1211 V N -3.089 116.844 119.914 0.031 0.000 3.174 1211 V HA 0.111 4.230 4.120 -0.000 0.000 0.254 1211 V C 2.075 178.183 176.094 0.024 0.000 1.120 1211 V CA 0.827 63.143 62.300 0.026 0.000 1.114 1211 V CB -0.668 31.171 31.823 0.026 0.000 0.756 1211 V HN 0.389 nan 8.190 nan 0.000 0.467 1212 L N 0.950 122.189 121.223 0.026 0.000 1.997 1212 L HA -0.095 4.245 4.340 -0.000 0.000 0.216 1212 L C 0.537 177.419 176.870 0.020 0.000 1.074 1212 L CA 2.763 57.617 54.840 0.023 0.000 0.763 1212 L CB -1.592 40.484 42.059 0.028 0.000 0.890 1212 L HN 0.375 nan 8.230 nan 0.000 0.434 1213 P HA -0.165 nan 4.420 nan 0.000 0.220 1213 P C 0.938 178.247 177.300 0.015 0.000 1.148 1213 P CA 1.197 64.307 63.100 0.017 0.000 0.803 1213 P CB -0.074 31.636 31.700 0.017 0.000 0.782 1214 E N 0.585 120.795 120.200 0.016 0.000 2.338 1214 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 1214 E C 0.499 177.107 176.600 0.013 0.000 1.007 1214 E CA 0.395 56.803 56.400 0.014 0.000 0.849 1214 E CB -0.581 29.128 29.700 0.015 0.000 0.774 1214 E HN 0.342 nan 8.360 nan 0.000 0.506 1215 K N 0.578 120.986 120.400 0.014 0.000 3.244 1215 K HA -0.130 4.190 4.320 -0.000 0.000 0.270 1215 K C -2.361 174.247 176.600 0.014 0.000 1.016 1215 K CA 0.294 56.589 56.287 0.013 0.000 0.754 1215 K CB -1.236 31.271 32.500 0.012 0.000 1.326 1215 K HN 0.244 nan 8.250 nan 0.000 0.465 1216 P HA 0.002 nan 4.420 nan 0.000 0.272 1216 P C 0.426 177.738 177.300 0.020 0.000 1.240 1216 P CA 0.085 63.195 63.100 0.017 0.000 0.791 1216 P CB 0.734 32.444 31.700 0.018 0.000 0.978 1217 E N -0.491 119.723 120.200 0.023 0.000 2.106 1217 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 1217 E C 0.373 176.997 176.600 0.039 0.000 0.984 1217 E CA 1.049 57.467 56.400 0.030 0.000 0.806 1217 E CB -0.059 29.661 29.700 0.033 0.000 0.750 1217 E HN 0.210 nan 8.360 nan 0.000 0.458 1218 L N 0.446 121.693 121.223 0.039 0.000 2.513 1218 L HA 0.420 4.760 4.340 -0.000 0.000 0.261 1218 L C -1.607 175.279 176.870 0.027 0.000 0.945 1218 L CA -0.475 54.392 54.840 0.045 0.000 0.848 1218 L CB 1.448 43.545 42.059 0.063 0.000 1.334 1218 L HN -0.077 nan 8.230 nan 0.000 0.407 1219 I N 4.721 125.295 120.570 0.008 0.000 2.433 1219 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 1219 I C -0.719 175.367 176.117 -0.052 0.000 1.001 1219 I CA -0.792 60.495 61.300 -0.022 0.000 1.119 1219 I CB 2.248 40.226 38.000 -0.037 0.000 1.289 1219 I HN 0.431 nan 8.210 nan 0.000 0.438 1220 L N 6.870 128.054 121.223 -0.065 0.000 2.264 1220 L HA 0.389 4.729 4.340 -0.000 0.000 0.289 1220 L C -0.413 176.325 176.870 -0.220 0.000 1.044 1220 L CA -0.159 54.622 54.840 -0.098 0.000 0.807 1220 L CB 0.959 42.991 42.059 -0.044 0.000 1.192 1220 L HN 0.416 nan 8.230 nan 0.000 0.425 1221 L N 3.697 124.709 121.223 -0.353 0.000 2.282 1221 L HA 0.257 4.597 4.340 -0.000 0.000 0.287 1221 L C -0.270 176.321 176.870 -0.465 0.000 1.075 1221 L CA -0.452 53.929 54.840 -0.765 0.000 0.839 1221 L CB 0.551 42.026 42.059 -0.973 0.000 1.219 1221 L HN 0.514 nan 8.230 nan 0.000 0.434 1222 D N 4.687 124.925 120.400 -0.271 0.000 2.339 1222 D HA 0.062 4.702 4.640 -0.000 0.000 0.241 1222 D C 0.357 176.741 176.300 0.140 0.000 1.183 1222 D CA 0.061 54.039 54.000 -0.036 0.000 0.859 1222 D CB 0.345 41.148 40.800 0.006 0.000 1.067 1222 D HN 0.409 nan 8.370 nan 0.000 0.484 1223 N N 3.235 122.000 118.700 0.108 0.000 2.727 1223 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 1223 N C -1.018 174.683 175.510 0.317 0.000 1.040 1223 N CA 0.521 53.668 53.050 0.162 0.000 0.712 1223 N CB -0.959 37.597 38.487 0.116 0.000 0.912 1223 N HN 0.304 nan 8.380 nan 0.000 0.545 1224 F N 0.893 120.848 119.950 0.009 0.000 2.385 1224 F HA 0.525 5.052 4.527 -0.000 0.000 0.336 1224 F C 1.262 177.097 175.800 0.057 0.000 1.100 1224 F CA -1.141 56.843 58.000 -0.026 0.000 1.116 1224 F CB 0.889 39.866 39.000 -0.039 0.000 1.166 1224 F HN 0.168 nan 8.300 nan 0.000 0.511 1225 A N 2.848 125.640 122.820 -0.047 0.000 2.366 1225 A HA 0.373 4.693 4.320 -0.000 0.000 0.249 1225 A C 1.135 178.652 177.584 -0.112 0.000 1.084 1225 A CA -0.423 51.580 52.037 -0.056 0.000 0.794 1225 A CB 0.177 19.052 19.000 -0.209 0.000 1.034 1225 A HN 0.688 nan 8.150 nan 0.000 0.491 1226 V N 1.587 121.393 119.914 -0.180 0.000 2.324 1226 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 1226 V C 2.320 178.363 176.094 -0.087 0.000 1.060 1226 V CA 2.430 64.525 62.300 -0.342 0.000 1.042 1226 V CB -1.366 30.216 31.823 -0.401 0.000 0.650 1226 V HN 1.085 nan 8.190 nan 0.000 0.450 1227 W N 1.124 122.386 121.300 -0.063 0.000 2.338 1227 W HA -0.223 4.437 4.660 -0.000 0.000 0.304 1227 W C 1.906 178.427 176.519 0.002 0.000 1.212 1227 W CA 1.434 58.759 57.345 -0.033 0.000 1.264 1227 W CB -1.112 28.326 29.460 -0.037 0.000 1.142 1227 W HN 0.290 nan 8.180 nan 0.000 0.512 1228 Q N 0.596 119.837 119.800 -0.932 0.000 2.224 1228 Q HA -0.103 4.237 4.340 -0.000 0.000 0.203 1228 Q C 2.306 178.251 176.000 -0.093 0.000 0.970 1228 Q CA 2.384 57.680 55.803 -0.845 0.000 0.865 1228 Q CB -0.373 27.603 28.738 -1.270 0.000 0.922 1228 Q HN 0.221 nan 8.270 nan 0.000 0.445 1229 T N 0.676 115.267 114.554 0.062 0.000 2.777 1229 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 1229 T C 1.743 176.507 174.700 0.106 0.000 1.040 1229 T CA 1.419 63.634 62.100 0.192 0.000 1.141 1229 T CB -0.145 68.844 68.868 0.203 0.000 0.868 1229 T HN 0.186 nan 8.240 nan 0.000 0.444 1230 Q N 1.063 120.906 119.800 0.070 0.000 2.084 1230 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 1230 Q C 2.273 178.326 176.000 0.087 0.000 0.978 1230 Q CA 1.921 57.769 55.803 0.075 0.000 0.844 1230 Q CB -0.853 27.937 28.738 0.087 0.000 0.898 1230 Q HN 0.446 nan 8.270 nan 0.000 0.426 1231 T N 0.358 114.975 114.554 0.105 0.000 2.708 1231 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 1231 T C 1.756 176.512 174.700 0.093 0.000 1.037 1231 T CA 1.515 63.680 62.100 0.109 0.000 1.146 1231 T CB -0.740 68.199 68.868 0.119 0.000 0.865 1231 T HN 0.483 nan 8.240 nan 0.000 0.435 1232 A N 1.045 123.933 122.820 0.114 0.000 1.917 1232 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 1232 A C 2.595 180.219 177.584 0.067 0.000 1.182 1232 A CA 1.699 53.807 52.037 0.117 0.000 0.633 1232 A CB -1.093 18.005 19.000 0.162 0.000 0.819 1232 A HN 0.376 nan 8.150 nan 0.000 0.448 1233 V N -0.522 119.427 119.914 0.058 0.000 2.358 1233 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 1233 V C 2.614 178.728 176.094 0.034 0.000 1.047 1233 V CA 2.214 64.534 62.300 0.034 0.000 1.035 1233 V CB -0.951 30.889 31.823 0.029 0.000 0.658 1233 V HN 0.632 nan 8.190 nan 0.000 0.452 1234 Q N -0.225 119.602 119.800 0.045 0.000 2.030 1234 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 1234 Q C 2.548 178.571 176.000 0.038 0.000 0.986 1234 Q CA 1.887 57.715 55.803 0.041 0.000 0.843 1234 Q CB -0.213 28.556 28.738 0.051 0.000 0.904 1234 Q HN 0.561 nan 8.270 nan 0.000 0.420 1235 R N 0.083 120.610 120.500 0.046 0.000 2.091 1235 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 1235 R C 2.407 178.727 176.300 0.032 0.000 1.136 1235 R CA 1.075 57.201 56.100 0.042 0.000 0.959 1235 R CB -0.306 30.026 30.300 0.053 0.000 0.856 1235 R HN 0.123 nan 8.270 nan 0.000 0.437 1236 R N 1.512 122.030 120.500 0.029 0.000 2.073 1236 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 1236 R C 1.233 177.541 176.300 0.013 0.000 1.134 1236 R CA 1.880 57.991 56.100 0.018 0.000 0.952 1236 R CB -0.585 29.721 30.300 0.010 0.000 0.850 1236 R HN 0.123 nan 8.270 nan 0.000 0.433 1237 D N 0.110 120.518 120.400 0.013 0.000 2.158 1237 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 1237 D C 1.869 178.176 176.300 0.011 0.000 0.995 1237 D CA 2.063 56.068 54.000 0.009 0.000 0.846 1237 D CB -0.021 40.785 40.800 0.009 0.000 0.941 1237 D HN 0.448 nan 8.370 nan 0.000 0.456 1238 S N -0.595 115.115 115.700 0.016 0.000 2.441 1238 S HA 0.083 4.553 4.470 -0.000 0.000 0.224 1238 S C 1.854 176.463 174.600 0.015 0.000 1.043 1238 S CA 0.005 58.215 58.200 0.015 0.000 0.948 1238 S CB 0.186 63.397 63.200 0.018 0.000 0.810 1238 S HN 0.148 nan 8.310 nan 0.000 0.504 1239 R N 1.382 121.892 120.500 0.017 0.000 2.128 1239 R HA 0.445 4.784 4.340 -0.000 0.000 0.211 1239 R C 0.480 176.788 176.300 0.014 0.000 1.067 1239 R CA 0.860 56.969 56.100 0.016 0.000 1.010 1239 R CB 0.083 30.395 30.300 0.020 0.000 0.922 1239 R HN 0.409 nan 8.270 nan 0.000 0.457 1240 A N 1.217 124.045 122.820 0.013 0.000 3.266 1240 A HA 0.362 4.682 4.320 -0.000 0.000 0.310 1240 A C -2.287 175.301 177.584 0.007 0.000 1.066 1240 A CA -1.224 50.819 52.037 0.011 0.000 0.839 1240 A CB 0.803 19.811 19.000 0.012 0.000 1.192 1240 A HN -0.082 nan 8.150 nan 0.000 0.496 1241 P HA -0.219 nan 4.420 nan 0.000 0.218 1241 P C 1.665 178.964 177.300 -0.002 0.000 1.146 1241 P CA 2.456 65.556 63.100 0.001 0.000 0.820 1241 P CB 0.108 31.809 31.700 0.002 0.000 0.778 1242 T N -4.494 110.061 114.554 0.002 0.000 3.014 1242 T HA 0.052 4.402 4.350 -0.000 0.000 0.263 1242 T C 0.837 175.540 174.700 0.006 0.000 1.078 1242 T CA 0.049 62.151 62.100 0.003 0.000 1.135 1242 T CB -0.935 67.937 68.868 0.007 0.000 0.895 1242 T HN -0.174 nan 8.240 nan 0.000 0.480 1243 V N 4.036 123.954 119.914 0.006 0.000 2.529 1243 V HA 0.201 4.320 4.120 -0.000 0.000 0.292 1243 V C 0.660 176.756 176.094 0.003 0.000 1.028 1243 V CA -0.178 62.128 62.300 0.009 0.000 1.074 1243 V CB 0.165 31.993 31.823 0.009 0.000 0.958 1243 V HN 0.467 nan 8.190 nan 0.000 0.481 1244 M N 5.280 124.889 119.600 0.016 0.000 2.288 1244 M HA 0.462 4.942 4.480 -0.000 0.000 0.334 1244 M C -0.771 175.536 176.300 0.013 0.000 1.150 1244 M CA -0.537 54.770 55.300 0.011 0.000 1.118 1244 M CB 1.249 33.900 32.600 0.084 0.000 1.501 1244 M HN 0.315 nan 8.290 nan 0.000 0.462 1245 L N 1.698 122.912 121.223 -0.014 0.000 2.365 1245 L HA 0.469 4.809 4.340 -0.000 0.000 0.273 1245 L C -0.418 176.455 176.870 0.006 0.000 1.000 1245 L CA -0.250 54.578 54.840 -0.021 0.000 0.819 1245 L CB 1.823 43.857 42.059 -0.042 0.000 1.284 1245 L HN 0.737 nan 8.230 nan 0.000 0.418 1246 E N 1.422 121.622 120.200 0.001 0.000 2.241 1246 E HA 0.502 4.852 4.350 -0.000 0.000 0.263 1246 E C -1.319 175.250 176.600 -0.052 0.000 0.882 1246 E CA -0.436 55.983 56.400 0.031 0.000 0.769 1246 E CB 1.386 31.114 29.700 0.047 0.000 1.185 1246 E HN 0.574 nan 8.360 nan 0.000 0.415 1247 S N 2.381 118.054 115.700 -0.046 0.000 2.528 1247 S HA 0.341 4.811 4.470 -0.000 0.000 0.277 1247 S C -0.476 174.048 174.600 -0.127 0.000 1.297 1247 S CA -0.393 57.747 58.200 -0.101 0.000 1.052 1247 S CB 1.320 64.475 63.200 -0.075 0.000 0.917 1247 S HN 0.414 nan 8.310 nan 0.000 0.492 1248 S N 1.233 116.850 115.700 -0.138 0.000 2.541 1248 S HA 0.791 5.261 4.470 -0.000 0.000 0.280 1248 S C 0.507 175.055 174.600 -0.087 0.000 1.112 1248 S CA 0.342 58.478 58.200 -0.107 0.000 0.925 1248 S CB 1.205 64.360 63.200 -0.076 0.000 1.067 1248 S HN 1.167 nan 8.310 nan 0.000 0.479 1249 G N 3.157 111.917 108.800 -0.066 0.000 2.539 1249 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.230 1249 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.230 1249 G C 0.682 175.572 174.900 -0.016 0.000 1.758 1249 G CA 0.064 45.149 45.100 -0.025 0.000 1.433 1249 G HN 1.479 nan 8.290 nan 0.000 0.494 1250 G N 0.849 109.638 108.800 -0.018 0.000 3.452 1250 G HA2 0.496 4.456 3.960 -0.000 0.000 0.258 1250 G HA3 0.496 4.456 3.960 -0.000 0.000 0.258 1250 G C -0.045 174.845 174.900 -0.016 0.000 1.305 1250 G CA 0.099 45.213 45.100 0.023 0.000 1.514 1250 G HN 0.461 nan 8.290 nan 0.000 0.593 1251 L N 1.555 122.753 121.223 -0.040 0.000 2.312 1251 L HA 0.619 4.959 4.340 -0.000 0.000 0.281 1251 L C 0.585 177.602 176.870 0.244 0.000 1.070 1251 L CA -0.704 54.153 54.840 0.029 0.000 0.805 1251 L CB 1.480 43.560 42.059 0.034 0.000 1.174 1251 L HN 0.237 nan 8.230 nan 0.000 0.434 1252 S N 2.210 118.048 115.700 0.229 0.000 2.595 1252 S HA 0.420 4.890 4.470 -0.000 0.000 0.281 1252 S C 0.400 174.880 174.600 -0.200 0.000 1.117 1252 S CA -0.693 57.587 58.200 0.133 0.000 0.873 1252 S CB 1.133 64.375 63.200 0.071 0.000 1.108 1252 S HN 0.409 nan 8.310 nan 0.000 0.477 1253 L N 1.542 122.472 121.223 -0.489 0.000 2.275 1253 L HA 0.015 4.355 4.340 -0.000 0.000 0.215 1253 L C 2.488 179.096 176.870 -0.437 0.000 1.119 1253 L CA 1.781 56.074 54.840 -0.912 0.000 0.790 1253 L CB -0.965 40.611 42.059 -0.806 0.000 0.919 1253 L HN 0.805 nan 8.230 nan 0.000 0.443 1254 Q N -1.152 118.518 119.800 -0.216 0.000 2.123 1254 Q HA -0.091 4.249 4.340 -0.000 0.000 0.199 1254 Q C 1.990 177.960 176.000 -0.051 0.000 0.966 1254 Q CA 1.853 57.590 55.803 -0.109 0.000 0.845 1254 Q CB -1.324 27.384 28.738 -0.050 0.000 0.907 1254 Q HN 0.663 nan 8.270 nan 0.000 0.439 1255 T N -2.022 112.536 114.554 0.007 0.000 3.057 1255 T HA 0.371 4.721 4.350 -0.000 0.000 0.254 1255 T C 2.013 176.841 174.700 0.212 0.000 1.094 1255 T CA 0.594 62.776 62.100 0.136 0.000 1.088 1255 T CB -0.094 68.942 68.868 0.280 0.000 0.934 1255 T HN 0.246 nan 8.240 nan 0.000 0.497 1256 A N 2.365 125.239 122.820 0.091 0.000 1.929 1256 A HA -0.057 4.263 4.320 -0.000 0.000 0.221 1256 A C 2.793 180.477 177.584 0.168 0.000 1.211 1256 A CA 2.575 54.702 52.037 0.151 0.000 0.657 1256 A CB -1.564 17.413 19.000 -0.038 0.000 0.827 1256 A HN 0.851 nan 8.150 nan 0.000 0.462 1257 A N -1.844 121.020 122.820 0.074 0.000 1.969 1257 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 1257 A C 2.277 179.904 177.584 0.072 0.000 1.169 1257 A CA 2.201 54.276 52.037 0.063 0.000 0.635 1257 A CB -1.144 17.867 19.000 0.017 0.000 0.810 1257 A HN 0.484 nan 8.150 nan 0.000 0.445 1258 T N -1.161 113.434 114.554 0.069 0.000 2.708 1258 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 1258 T C 1.712 176.404 174.700 -0.014 0.000 1.037 1258 T CA 1.839 63.939 62.100 0.000 0.000 1.146 1258 T CB -0.451 68.385 68.868 -0.053 0.000 0.865 1258 T HN 0.570 nan 8.240 nan 0.000 0.435 1259 Y N 1.340 121.672 120.300 0.053 0.000 2.200 1259 Y HA 0.023 4.573 4.550 -0.000 0.000 0.290 1259 Y C 2.727 178.655 175.900 0.046 0.000 1.137 1259 Y CA 0.751 58.886 58.100 0.059 0.000 1.163 1259 Y CB -0.633 37.874 38.460 0.079 0.000 0.988 1259 Y HN 0.189 nan 8.280 nan 0.000 0.518 1260 A N 0.180 123.123 122.820 0.204 0.000 1.940 1260 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 1260 A C 1.928 179.552 177.584 0.066 0.000 1.176 1260 A CA 1.912 54.020 52.037 0.119 0.000 0.631 1260 A CB -0.634 18.428 19.000 0.102 0.000 0.814 1260 A HN 0.516 nan 8.150 nan 0.000 0.446 1261 E N -0.547 119.683 120.200 0.050 0.000 2.409 1261 E HA -0.101 4.249 4.350 -0.000 0.000 0.198 1261 E C 1.934 178.546 176.600 0.020 0.000 1.024 1261 E CA 1.125 57.539 56.400 0.025 0.000 0.861 1261 E CB -0.212 29.496 29.700 0.014 0.000 0.788 1261 E HN 0.877 nan 8.360 nan 0.000 0.521 1262 T N -3.454 111.117 114.554 0.028 0.000 3.035 1262 T HA 0.041 4.391 4.350 -0.000 0.000 0.268 1262 T C 1.624 176.338 174.700 0.024 0.000 1.109 1262 T CA 0.760 62.876 62.100 0.026 0.000 1.119 1262 T CB 0.252 69.142 68.868 0.038 0.000 0.900 1262 T HN 0.256 nan 8.240 nan 0.000 0.503 1263 G N 0.772 109.583 108.800 0.018 0.000 2.184 1263 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.206 1263 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.206 1263 G C 0.151 175.038 174.900 -0.022 0.000 0.995 1263 G CA -0.105 44.993 45.100 -0.003 0.000 0.651 1263 G HN 1.372 nan 8.290 nan 0.000 0.511 1264 V N -1.173 118.738 119.914 -0.006 0.000 3.032 1264 V HA 0.332 4.452 4.120 -0.000 0.000 0.307 1264 V C 1.202 177.231 176.094 -0.107 0.000 1.097 1264 V CA 0.824 63.103 62.300 -0.034 0.000 1.191 1264 V CB 0.865 32.695 31.823 0.011 0.000 0.964 1264 V HN 0.188 nan 8.190 nan 0.000 0.494 1265 D N 1.085 121.356 120.400 -0.215 0.000 2.289 1265 D HA 0.095 4.735 4.640 -0.000 0.000 0.207 1265 D C -0.330 175.536 176.300 -0.723 0.000 0.966 1265 D CA 1.577 55.274 54.000 -0.505 0.000 0.868 1265 D CB 0.227 40.614 40.800 -0.689 0.000 0.943 1265 D HN 0.708 nan 8.370 nan 0.000 0.514 1266 Y N -0.903 119.368 120.300 -0.047 0.000 2.638 1266 Y HA 0.419 4.969 4.550 -0.000 0.000 0.335 1266 Y C -0.923 174.938 175.900 -0.064 0.000 1.155 1266 Y CA -1.012 57.047 58.100 -0.069 0.000 1.046 1266 Y CB 1.254 39.636 38.460 -0.129 0.000 1.303 1266 Y HN -0.332 nan 8.280 nan 0.000 0.460 1267 L N 1.913 123.206 121.223 0.117 0.000 2.376 1267 L HA 0.820 5.160 4.340 -0.000 0.000 0.275 1267 L C -0.473 176.348 176.870 -0.082 0.000 0.987 1267 L CA -0.650 54.197 54.840 0.011 0.000 0.828 1267 L CB 1.773 43.865 42.059 0.054 0.000 1.249 1267 L HN 0.771 nan 8.230 nan 0.000 0.409 1268 A N 4.309 127.059 122.820 -0.117 0.000 2.260 1268 A HA 0.681 5.001 4.320 -0.000 0.000 0.312 1268 A C -0.609 176.840 177.584 -0.224 0.000 1.321 1268 A CA -0.438 51.511 52.037 -0.147 0.000 0.928 1268 A CB 0.312 19.264 19.000 -0.080 0.000 1.158 1268 A HN 0.400 nan 8.150 nan 0.000 0.542 1269 V N 3.693 123.404 119.914 -0.339 0.000 2.311 1269 V HA 0.364 4.484 4.120 -0.000 0.000 0.275 1269 V C 1.436 177.302 176.094 -0.381 0.000 1.022 1269 V CA 0.251 62.248 62.300 -0.505 0.000 0.830 1269 V CB 0.732 31.938 31.823 -1.028 0.000 1.012 1269 V HN 1.014 nan 8.190 nan 0.000 0.452 1270 G N 3.457 112.107 108.800 -0.249 0.000 2.422 1270 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 1270 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 1270 G C 1.515 175.960 174.900 -0.759 0.000 1.140 1270 G CA 0.999 45.968 45.100 -0.219 0.000 0.775 1270 G HN 0.834 nan 8.290 nan 0.000 0.545 1271 A N 0.411 122.798 122.820 -0.721 0.000 2.070 1271 A HA 0.108 4.428 4.320 -0.000 0.000 0.220 1271 A C 2.218 179.525 177.584 -0.461 0.000 1.159 1271 A CA 0.957 52.552 52.037 -0.738 0.000 0.656 1271 A CB -0.255 18.616 19.000 -0.216 0.000 0.800 1271 A HN 0.284 nan 8.150 nan 0.000 0.453 1272 L N 0.091 121.061 121.223 -0.421 0.000 2.127 1272 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 1272 L C 2.682 179.417 176.870 -0.225 0.000 1.089 1272 L CA 2.504 57.167 54.840 -0.295 0.000 0.757 1272 L CB -0.980 40.883 42.059 -0.326 0.000 0.899 1272 L HN 0.698 nan 8.230 nan 0.000 0.434 1273 T N -4.901 109.510 114.554 -0.239 0.000 2.987 1273 T HA 0.106 4.456 4.350 -0.000 0.000 0.248 1273 T C 0.676 175.367 174.700 -0.016 0.000 0.997 1273 T CA 0.042 62.078 62.100 -0.106 0.000 1.013 1273 T CB -0.262 68.573 68.868 -0.056 0.000 1.077 1273 T HN 0.410 nan 8.240 nan 0.000 0.483 1274 H N 0.956 120.027 119.070 0.001 0.000 2.499 1274 H HA 0.730 5.286 4.556 -0.000 0.000 0.352 1274 H C 0.331 175.674 175.328 0.025 0.000 1.237 1274 H CA -0.553 55.509 56.048 0.022 0.000 1.343 1274 H CB 0.327 30.094 29.762 0.008 0.000 1.578 1274 H HN 0.012 nan 8.280 nan 0.000 0.577 1275 S N -1.312 114.572 115.700 0.306 0.000 3.631 1275 S HA -0.153 4.317 4.470 -0.000 0.000 0.366 1275 S C 0.065 174.708 174.600 0.071 0.000 0.993 1275 S CA 0.583 58.903 58.200 0.199 0.000 1.167 1275 S CB -2.385 60.986 63.200 0.285 0.000 0.909 1275 S HN 1.019 nan 8.310 nan 0.000 0.478 1276 V N -0.563 119.388 119.914 0.062 0.000 2.617 1276 V HA 0.728 4.848 4.120 -0.000 0.000 0.298 1276 V C 0.207 176.320 176.094 0.032 0.000 1.048 1276 V CA -1.040 61.261 62.300 0.001 0.000 0.964 1276 V CB 1.858 33.603 31.823 -0.129 0.000 1.004 1276 V HN 0.449 nan 8.190 nan 0.000 0.466 1277 R N 4.186 124.692 120.500 0.010 0.000 2.265 1277 R HA 0.579 4.919 4.340 -0.000 0.000 0.328 1277 R C -0.738 175.569 176.300 0.010 0.000 0.969 1277 R CA -0.566 55.548 56.100 0.024 0.000 0.832 1277 R CB 1.656 31.971 30.300 0.024 0.000 1.139 1277 R HN 0.864 nan 8.270 nan 0.000 0.457 1278 V N 5.522 125.456 119.914 0.034 0.000 2.901 1278 V HA -0.036 4.084 4.120 -0.000 0.000 0.307 1278 V C -0.094 176.009 176.094 0.015 0.000 1.084 1278 V CA 0.070 62.390 62.300 0.034 0.000 1.184 1278 V CB 0.758 32.616 31.823 0.058 0.000 0.941 1278 V HN 0.646 nan 8.190 nan 0.000 0.493 1279 L N 6.133 127.360 121.223 0.008 0.000 2.295 1279 L HA 0.392 4.732 4.340 -0.000 0.000 0.288 1279 L C 0.039 176.916 176.870 0.012 0.000 1.079 1279 L CA -0.010 54.833 54.840 0.005 0.000 0.830 1279 L CB 0.627 42.684 42.059 -0.002 0.000 1.200 1279 L HN 0.729 nan 8.230 nan 0.000 0.438 1280 D N 5.507 125.913 120.400 0.011 0.000 2.451 1280 D HA 0.172 4.812 4.640 -0.000 0.000 0.254 1280 D C -0.547 175.758 176.300 0.009 0.000 1.204 1280 D CA 0.782 54.789 54.000 0.011 0.000 0.896 1280 D CB 0.190 40.995 40.800 0.009 0.000 1.136 1280 D HN 0.453 nan 8.370 nan 0.000 0.499 1281 I N 2.299 122.874 120.570 0.009 0.000 2.686 1281 I HA 0.534 4.703 4.170 -0.000 0.000 0.295 1281 I C 0.625 176.744 176.117 0.004 0.000 1.114 1281 I CA -1.012 60.292 61.300 0.006 0.000 1.038 1281 I CB 2.430 40.434 38.000 0.007 0.000 1.238 1281 I HN 0.357 nan 8.210 nan 0.000 0.420 1282 G N 3.903 112.705 108.800 0.002 0.000 2.630 1282 G HA2 0.690 4.650 3.960 -0.000 0.000 0.296 1282 G HA3 0.690 4.650 3.960 -0.000 0.000 0.296 1282 G C -1.946 172.952 174.900 -0.002 0.000 1.285 1282 G CA -0.586 44.514 45.100 0.000 0.000 0.958 1282 G HN 0.373 nan 8.290 nan 0.000 0.479 1283 L N 0.919 122.139 121.223 -0.004 0.000 2.294 1283 L HA 0.528 4.868 4.340 -0.000 0.000 0.283 1283 L C -1.228 175.640 176.870 -0.004 0.000 1.015 1283 L CA -0.863 53.973 54.840 -0.006 0.000 0.831 1283 L CB 1.280 43.332 42.059 -0.011 0.000 1.217 1283 L HN 0.244 nan 8.230 nan 0.000 0.420 1284 D N 6.396 126.795 120.400 -0.002 0.000 2.280 1284 D HA 0.477 5.117 4.640 -0.000 0.000 0.236 1284 D C -0.073 176.228 176.300 0.001 0.000 1.082 1284 D CA 0.133 54.133 54.000 0.000 0.000 0.834 1284 D CB 1.582 42.383 40.800 0.001 0.000 1.100 1284 D HN 0.526 nan 8.370 nan 0.000 0.486 1285 M N 0.000 119.601 119.600 0.001 0.000 2.572 1285 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1285 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1285 M CB 0.000 32.601 32.600 0.002 0.000 1.302 1285 M HN 0.000 nan 8.290 nan 0.000 0.411