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 3m5n_1_B DATA FIRST_RESID 981 DATA SEQUENCE SHMASMKKKG SVVIVGRINL SGDTAYAQQT RGEEGCQETS QTGRDKNQVE DATA SEQUENCE GEVQIVSTAT QTFLATSING VLWTVYHGAG TRTIASPKGP VTQMYTNVDK DATA SEQUENCE DLVGWQAPQG SRSLTPCTCG SSDLYLVTRH ADVIPVRRRG DSRGSLLSPR DATA SEQUENCE PISYLKGSAG GPLLCPAGHA VGIFRAAVST RGVAKAVDFI PVESLETTM 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 981 S HA 0.000 nan 4.470 nan 0.000 0.327 981 S C 0.000 174.641 174.600 0.069 0.000 1.055 981 S CA 0.000 58.231 58.200 0.051 0.000 1.107 981 S CB 0.000 63.226 63.200 0.043 0.000 0.593 982 H N 1.478 120.550 119.070 0.003 0.000 2.319 982 H HA -0.102 4.455 4.556 0.001 0.000 0.297 982 H C 1.197 176.528 175.328 0.004 0.000 1.097 982 H CA 2.491 58.542 56.048 0.004 0.000 1.285 982 H CB -0.002 29.763 29.762 0.004 0.000 1.368 982 H HN 0.565 nan 8.280 nan 0.000 0.495 983 M N 0.017 119.595 119.600 -0.036 0.000 2.288 983 M HA 0.024 4.504 4.480 0.001 0.000 0.266 983 M C 2.705 178.961 176.300 -0.074 0.000 1.072 983 M CA 0.917 56.163 55.300 -0.090 0.000 1.132 983 M CB -1.017 31.586 32.600 0.004 0.000 1.386 983 M HN 0.318 nan 8.290 nan 0.000 0.432 984 A N -0.220 122.577 122.820 -0.037 0.000 2.015 984 A HA -0.049 4.271 4.320 0.001 0.000 0.219 984 A C 2.192 179.748 177.584 -0.046 0.000 1.163 984 A CA 1.599 53.617 52.037 -0.031 0.000 0.646 984 A CB -0.524 18.469 19.000 -0.011 0.000 0.806 984 A HN 0.475 nan 8.150 nan 0.000 0.448 985 S N -0.014 115.645 115.700 -0.067 0.000 2.577 985 S HA 0.249 4.720 4.470 0.001 0.000 0.219 985 S C 0.431 174.970 174.600 -0.102 0.000 0.962 985 S CA -0.225 57.934 58.200 -0.067 0.000 0.921 985 S CB -0.121 63.053 63.200 -0.044 0.000 0.789 985 S HN 0.403 nan 8.310 nan 0.000 0.497 986 M N 2.833 122.348 119.600 -0.143 0.000 2.217 986 M HA 0.208 4.689 4.480 0.001 0.000 0.352 986 M C 0.268 176.524 176.300 -0.073 0.000 1.376 986 M CA 0.437 55.654 55.300 -0.139 0.000 1.107 986 M CB -0.128 32.380 32.600 -0.153 0.000 1.723 986 M HN 0.063 nan 8.290 nan 0.000 0.461 987 K N 2.057 122.426 120.400 -0.053 0.000 2.168 987 K HA 0.453 4.773 4.320 0.001 0.000 0.258 987 K C 0.401 176.988 176.600 -0.023 0.000 1.010 987 K CA -0.366 55.903 56.287 -0.030 0.000 0.929 987 K CB 0.415 32.903 32.500 -0.020 0.000 0.998 987 K HN 0.630 nan 8.250 nan 0.000 0.479 988 K N 2.445 122.836 120.400 -0.015 0.000 2.159 988 K HA 0.192 4.513 4.320 0.001 0.000 0.266 988 K C -0.300 176.299 176.600 -0.002 0.000 0.975 988 K CA -0.780 55.502 56.287 -0.008 0.000 0.865 988 K CB 0.564 33.059 32.500 -0.008 0.000 1.087 988 K HN 0.348 nan 8.250 nan 0.000 0.446 989 K N 1.402 121.804 120.400 0.004 0.000 2.401 989 K HA 0.196 4.516 4.320 0.001 0.000 0.278 989 K C 0.867 177.473 176.600 0.009 0.000 1.018 989 K CA 0.294 56.587 56.287 0.010 0.000 0.981 989 K CB 1.087 33.597 32.500 0.016 0.000 0.933 989 K HN 0.886 nan 8.250 nan 0.000 0.477 990 G N 1.354 110.158 108.800 0.007 0.000 2.611 990 G HA2 0.106 4.067 3.960 0.001 0.000 0.273 990 G HA3 0.106 4.067 3.960 0.001 0.000 0.273 990 G C -0.327 174.576 174.900 0.005 0.000 1.305 990 G CA -0.494 44.606 45.100 -0.001 0.000 1.010 990 G HN 0.501 nan 8.290 nan 0.000 0.509 991 S N -1.519 114.171 115.700 -0.017 0.000 2.617 991 S HA 0.326 4.796 4.470 0.001 0.000 0.269 991 S C 0.412 174.982 174.600 -0.049 0.000 1.292 991 S CA -0.650 57.530 58.200 -0.032 0.000 1.010 991 S CB 1.603 64.755 63.200 -0.080 0.000 0.944 991 S HN 0.462 nan 8.310 nan 0.000 0.536 992 V N 2.616 122.493 119.914 -0.062 0.000 2.673 992 V HA 0.116 4.237 4.120 0.001 0.000 0.303 992 V C -0.002 175.953 176.094 -0.231 0.000 1.046 992 V CA 0.059 62.281 62.300 -0.130 0.000 1.126 992 V CB 0.290 32.032 31.823 -0.135 0.000 0.934 992 V HN 0.602 nan 8.190 nan 0.000 0.487 993 V N 6.180 125.969 119.914 -0.208 0.000 2.540 993 V HA 0.438 4.559 4.120 0.001 0.000 0.302 993 V C -0.010 175.955 176.094 -0.215 0.000 1.035 993 V CA -0.628 61.554 62.300 -0.197 0.000 0.873 993 V CB 1.907 33.649 31.823 -0.135 0.000 0.992 993 V HN 0.656 nan 8.190 nan 0.000 0.428 994 I N 4.936 125.382 120.570 -0.207 0.000 2.517 994 I HA 0.106 4.277 4.170 0.001 0.000 0.285 994 I C 0.958 176.994 176.117 -0.135 0.000 1.106 994 I CA 0.241 61.433 61.300 -0.179 0.000 1.402 994 I CB 1.245 39.148 38.000 -0.160 0.000 1.399 994 I HN 0.642 nan 8.210 nan 0.000 0.535 995 V N 2.501 122.338 119.914 -0.127 0.000 3.432 995 V HA 0.684 4.805 4.120 0.001 0.000 0.298 995 V C 0.519 176.568 176.094 -0.074 0.000 1.464 995 V CA 0.375 62.619 62.300 -0.094 0.000 1.046 995 V CB -0.121 31.648 31.823 -0.091 0.000 0.887 995 V HN 0.897 nan 8.190 nan 0.000 0.441 996 G N 0.846 109.597 108.800 -0.082 0.000 2.325 996 G HA2 0.587 4.548 3.960 0.001 0.000 0.295 996 G HA3 0.587 4.548 3.960 0.001 0.000 0.295 996 G C -1.395 173.459 174.900 -0.076 0.000 1.274 996 G CA -0.476 44.584 45.100 -0.066 0.000 0.857 996 G HN 0.744 nan 8.290 nan 0.000 0.499 997 R N -1.460 118.994 120.500 -0.077 0.000 2.739 997 R HA 0.721 5.062 4.340 0.001 0.000 0.271 997 R C -1.505 174.729 176.300 -0.110 0.000 1.010 997 R CA -0.985 55.062 56.100 -0.089 0.000 0.897 997 R CB 1.478 31.722 30.300 -0.093 0.000 1.236 997 R HN 0.398 nan 8.270 nan 0.000 0.466 998 I N 2.630 123.138 120.570 -0.102 0.000 2.307 998 I HA 0.220 4.391 4.170 0.001 0.000 0.289 998 I C -0.301 175.713 176.117 -0.171 0.000 1.021 998 I CA -0.761 60.466 61.300 -0.121 0.000 1.224 998 I CB 0.760 38.724 38.000 -0.061 0.000 1.376 998 I HN 0.642 nan 8.210 nan 0.000 0.470 999 N N 7.283 125.787 118.700 -0.327 0.000 2.408 999 N HA 0.271 5.011 4.740 0.001 0.000 0.257 999 N C 0.089 175.469 175.510 -0.217 0.000 1.064 999 N CA -0.029 52.802 53.050 -0.365 0.000 0.952 999 N CB 1.238 39.256 38.487 -0.782 0.000 1.093 999 N HN 0.565 nan 8.380 nan 0.000 0.490 1000 L N 2.164 123.324 121.223 -0.106 0.000 3.135 1000 L HA 0.099 4.439 4.340 0.001 0.000 0.279 1000 L C 1.556 178.412 176.870 -0.023 0.000 1.200 1000 L CA -0.005 54.808 54.840 -0.045 0.000 1.016 1000 L CB 0.334 42.372 42.059 -0.034 0.000 1.391 1000 L HN 0.469 nan 8.230 nan 0.000 0.588 1001 S N -1.138 114.550 115.700 -0.020 0.000 2.528 1001 S HA 0.170 4.641 4.470 0.001 0.000 0.219 1001 S C 1.110 175.719 174.600 0.015 0.000 0.985 1001 S CA 0.280 58.479 58.200 -0.002 0.000 0.914 1001 S CB 0.237 63.435 63.200 -0.003 0.000 0.776 1001 S HN 0.281 nan 8.310 nan 0.000 0.526 1002 G N 2.020 110.843 108.800 0.038 0.000 2.773 1002 G HA2 0.397 4.358 3.960 0.001 0.000 0.186 1002 G HA3 0.397 4.358 3.960 0.001 0.000 0.186 1002 G C 0.030 174.951 174.900 0.035 0.000 1.411 1002 G CA 0.149 45.281 45.100 0.053 0.000 1.054 1002 G HN 0.389 nan 8.290 nan 0.000 0.579 1003 D N -1.660 118.763 120.400 0.039 0.000 2.360 1003 D HA 0.165 4.806 4.640 0.001 0.000 0.210 1003 D C 0.559 176.878 176.300 0.032 0.000 1.047 1003 D CA 0.241 54.252 54.000 0.020 0.000 0.854 1003 D CB 0.351 41.156 40.800 0.008 0.000 0.936 1003 D HN 0.156 nan 8.370 nan 0.000 0.514 1004 T N 0.245 114.845 114.554 0.077 0.000 2.886 1004 T HA 0.705 5.056 4.350 0.001 0.000 0.292 1004 T C -0.729 174.091 174.700 0.200 0.000 1.012 1004 T CA -0.801 61.363 62.100 0.108 0.000 0.982 1004 T CB 1.959 70.874 68.868 0.078 0.000 1.018 1004 T HN 0.186 nan 8.240 nan 0.000 0.451 1005 A N 3.314 126.228 122.820 0.157 0.000 2.289 1005 A HA 0.791 5.112 4.320 0.001 0.000 0.298 1005 A C -0.878 176.865 177.584 0.265 0.000 1.208 1005 A CA -0.536 51.587 52.037 0.144 0.000 0.845 1005 A CB -0.146 18.894 19.000 0.066 0.000 1.125 1005 A HN 0.922 nan 8.150 nan 0.000 0.517 1006 Y N -0.747 119.565 120.300 0.020 0.000 2.581 1006 Y HA 0.723 5.274 4.550 0.001 0.000 0.337 1006 Y C -0.154 175.763 175.900 0.027 0.000 1.108 1006 Y CA -1.028 57.089 58.100 0.029 0.000 1.033 1006 Y CB 0.912 39.386 38.460 0.023 0.000 1.318 1006 Y HN 0.825 nan 8.280 nan 0.000 0.459 1007 A N 2.599 125.477 122.820 0.098 0.000 2.327 1007 A HA 0.636 4.956 4.320 0.001 0.000 0.283 1007 A C -0.737 176.883 177.584 0.060 0.000 1.127 1007 A CA -0.608 51.440 52.037 0.019 0.000 0.810 1007 A CB 0.753 19.796 19.000 0.071 0.000 1.066 1007 A HN 0.801 nan 8.150 nan 0.000 0.492 1008 Q N 0.576 120.367 119.800 -0.015 0.000 2.323 1008 Q HA 0.354 4.695 4.340 0.001 0.000 0.271 1008 Q C -0.973 175.029 176.000 0.003 0.000 1.048 1008 Q CA -0.436 55.381 55.803 0.024 0.000 0.792 1008 Q CB 2.458 31.183 28.738 -0.021 0.000 1.280 1008 Q HN 0.839 nan 8.270 nan 0.000 0.441 1009 Q N 0.875 120.687 119.800 0.020 0.000 2.256 1009 Q HA 0.237 4.578 4.340 0.001 0.000 0.254 1009 Q C 0.235 176.232 176.000 -0.005 0.000 0.916 1009 Q CA 0.112 55.916 55.803 0.002 0.000 0.932 1009 Q CB 0.974 29.719 28.738 0.011 0.000 1.207 1009 Q HN 0.861 nan 8.270 nan 0.000 0.426 1010 T N 0.562 115.102 114.554 -0.023 0.000 2.969 1010 T HA 0.342 4.693 4.350 0.001 0.000 0.250 1010 T C 0.416 175.099 174.700 -0.030 0.000 1.021 1010 T CA -0.215 61.869 62.100 -0.026 0.000 1.003 1010 T CB 0.487 69.332 68.868 -0.039 0.000 1.040 1010 T HN 0.469 nan 8.240 nan 0.000 0.492 1011 R N 0.429 120.909 120.500 -0.034 0.000 2.621 1011 R HA 0.637 4.977 4.340 0.001 0.000 0.284 1011 R C 0.003 176.287 176.300 -0.026 0.000 0.998 1011 R CA -0.812 55.268 56.100 -0.033 0.000 0.895 1011 R CB 2.120 32.393 30.300 -0.046 0.000 1.195 1011 R HN 0.305 nan 8.270 nan 0.000 0.450 1012 G N 0.238 109.027 108.800 -0.019 0.000 2.563 1012 G HA2 0.320 4.281 3.960 0.001 0.000 0.283 1012 G HA3 0.320 4.281 3.960 0.001 0.000 0.283 1012 G C 0.924 175.814 174.900 -0.017 0.000 1.309 1012 G CA 0.286 45.378 45.100 -0.014 0.000 1.022 1012 G HN 0.672 nan 8.290 nan 0.000 0.501 1013 E N -0.679 119.514 120.200 -0.011 0.000 2.077 1013 E HA -0.107 4.244 4.350 0.001 0.000 0.193 1013 E C 2.111 178.703 176.600 -0.013 0.000 0.989 1013 E CA 2.014 58.408 56.400 -0.011 0.000 0.800 1013 E CB -0.593 29.105 29.700 -0.003 0.000 0.746 1013 E HN 0.641 nan 8.360 nan 0.000 0.452 1014 E N -0.150 120.044 120.200 -0.011 0.000 2.072 1014 E HA 0.043 4.394 4.350 0.001 0.000 0.191 1014 E C 2.376 178.965 176.600 -0.018 0.000 0.985 1014 E CA 1.117 57.509 56.400 -0.012 0.000 0.801 1014 E CB -0.560 29.134 29.700 -0.010 0.000 0.750 1014 E HN 0.498 nan 8.360 nan 0.000 0.452 1015 G N -0.012 108.776 108.800 -0.020 0.000 2.408 1015 G HA2 -0.292 3.669 3.960 0.001 0.000 0.217 1015 G HA3 -0.292 3.669 3.960 0.001 0.000 0.217 1015 G C 1.842 176.721 174.900 -0.034 0.000 1.150 1015 G CA 0.891 45.975 45.100 -0.027 0.000 0.776 1015 G HN 0.454 nan 8.290 nan 0.000 0.542 1016 C N -0.090 119.189 119.300 -0.035 0.000 2.453 1016 C HA -0.018 4.443 4.460 0.001 0.000 0.277 1016 C C 2.885 177.852 174.990 -0.039 0.000 1.262 1016 C CA 1.509 60.500 59.018 -0.044 0.000 1.718 1016 C CB -0.675 27.038 27.740 -0.045 0.000 2.031 1016 C HN 0.427 nan 8.230 nan 0.000 0.480 1017 Q N 0.683 120.467 119.800 -0.027 0.000 2.084 1017 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 1017 Q C 2.073 178.059 176.000 -0.024 0.000 0.978 1017 Q CA 2.050 57.840 55.803 -0.022 0.000 0.844 1017 Q CB -0.750 27.980 28.738 -0.014 0.000 0.898 1017 Q HN 0.875 nan 8.270 nan 0.000 0.426 1018 E N 0.054 120.240 120.200 -0.024 0.000 2.077 1018 E HA -0.140 4.210 4.350 0.001 0.000 0.193 1018 E C 1.573 178.154 176.600 -0.032 0.000 0.989 1018 E CA 1.593 57.978 56.400 -0.025 0.000 0.800 1018 E CB 0.149 29.835 29.700 -0.023 0.000 0.746 1018 E HN 0.247 nan 8.360 nan 0.000 0.452 1019 T N -0.039 114.491 114.554 -0.040 0.000 2.867 1019 T HA -0.135 4.215 4.350 0.001 0.000 0.268 1019 T C 1.957 176.624 174.700 -0.056 0.000 1.057 1019 T CA 1.136 63.206 62.100 -0.051 0.000 1.136 1019 T CB -0.287 68.544 68.868 -0.062 0.000 0.874 1019 T HN 0.105 nan 8.240 nan 0.000 0.466 1020 S N 0.737 116.407 115.700 -0.050 0.000 2.368 1020 S HA -0.171 4.300 4.470 0.001 0.000 0.225 1020 S C 2.642 177.222 174.600 -0.034 0.000 1.030 1020 S CA 1.928 60.101 58.200 -0.046 0.000 0.999 1020 S CB -0.456 62.723 63.200 -0.034 0.000 0.844 1020 S HN 0.699 nan 8.310 nan 0.000 0.459 1021 Q N 0.085 119.868 119.800 -0.028 0.000 2.083 1021 Q HA -0.075 4.266 4.340 0.001 0.000 0.198 1021 Q C 2.282 178.268 176.000 -0.025 0.000 0.969 1021 Q CA 2.021 57.811 55.803 -0.022 0.000 0.838 1021 Q CB -1.808 26.919 28.738 -0.018 0.000 0.900 1021 Q HN 0.921 nan 8.270 nan 0.000 0.436 1022 T N -4.445 110.091 114.554 -0.030 0.000 2.937 1022 T HA 0.328 4.679 4.350 0.001 0.000 0.260 1022 T C 1.952 176.630 174.700 -0.037 0.000 1.051 1022 T CA 1.522 63.603 62.100 -0.031 0.000 1.141 1022 T CB -0.231 68.618 68.868 -0.031 0.000 0.879 1022 T HN 1.691 nan 8.240 nan 0.000 0.459 1023 G N 1.199 109.970 108.800 -0.048 0.000 2.148 1023 G HA2 -0.057 3.903 3.960 0.001 0.000 0.254 1023 G HA3 -0.057 3.903 3.960 0.001 0.000 0.254 1023 G C 0.236 175.096 174.900 -0.068 0.000 0.981 1023 G CA 0.398 45.460 45.100 -0.063 0.000 0.670 1023 G HN 1.083 nan 8.290 nan 0.000 0.528 1024 R N 0.111 120.576 120.500 -0.059 0.000 2.275 1024 R HA 0.683 5.023 4.340 0.001 0.000 0.326 1024 R C -0.516 175.747 176.300 -0.061 0.000 0.973 1024 R CA 0.025 56.091 56.100 -0.056 0.000 0.854 1024 R CB 1.018 31.293 30.300 -0.042 0.000 1.156 1024 R HN 0.433 nan 8.270 nan 0.000 0.487 1025 D N 2.242 122.599 120.400 -0.072 0.000 2.462 1025 D HA 0.345 4.986 4.640 0.001 0.000 0.245 1025 D C 0.806 177.068 176.300 -0.064 0.000 1.122 1025 D CA 0.023 53.979 54.000 -0.074 0.000 0.864 1025 D CB 1.585 42.327 40.800 -0.097 0.000 1.098 1025 D HN 0.455 nan 8.370 nan 0.000 0.541 1026 K N 2.852 123.221 120.400 -0.052 0.000 2.444 1026 K HA 0.083 4.403 4.320 0.001 0.000 0.193 1026 K C 0.771 177.345 176.600 -0.043 0.000 1.024 1026 K CA -0.022 56.239 56.287 -0.044 0.000 1.077 1026 K CB -0.709 31.770 32.500 -0.035 0.000 0.833 1026 K HN 0.424 nan 8.250 nan 0.000 0.517 1027 N N 1.794 120.465 118.700 -0.048 0.000 2.454 1027 N HA 0.215 4.956 4.740 0.001 0.000 0.254 1027 N C 0.298 175.781 175.510 -0.046 0.000 1.228 1027 N CA 0.487 53.510 53.050 -0.045 0.000 0.900 1027 N CB 0.740 39.197 38.487 -0.049 0.000 1.089 1027 N HN 0.628 nan 8.380 nan 0.000 0.449 1028 Q N 0.935 120.713 119.800 -0.037 0.000 2.296 1028 Q HA 0.365 4.706 4.340 0.001 0.000 0.262 1028 Q C -0.001 175.975 176.000 -0.040 0.000 0.981 1028 Q CA -0.560 55.222 55.803 -0.035 0.000 0.905 1028 Q CB 0.208 28.930 28.738 -0.026 0.000 1.186 1028 Q HN 0.502 nan 8.270 nan 0.000 0.399 1029 V N 3.019 122.906 119.914 -0.044 0.000 2.607 1029 V HA 0.540 4.660 4.120 0.001 0.000 0.289 1029 V C 0.149 176.221 176.094 -0.036 0.000 1.053 1029 V CA -0.092 62.180 62.300 -0.047 0.000 0.996 1029 V CB 1.178 32.968 31.823 -0.055 0.000 0.995 1029 V HN 1.090 nan 8.190 nan 0.000 0.476 1030 E N 2.344 122.522 120.200 -0.037 0.000 2.413 1030 E HA 0.756 5.106 4.350 0.001 0.000 0.277 1030 E C -0.173 176.407 176.600 -0.033 0.000 0.958 1030 E CA -0.577 55.806 56.400 -0.029 0.000 0.779 1030 E CB 2.126 31.810 29.700 -0.026 0.000 1.278 1030 E HN 1.164 nan 8.360 nan 0.000 0.456 1031 G N 1.112 109.898 108.800 -0.023 0.000 2.756 1031 G HA2 -0.207 3.754 3.960 0.001 0.000 0.678 1031 G HA3 -0.207 3.754 3.960 0.001 0.000 0.678 1031 G C -0.179 174.717 174.900 -0.007 0.000 1.349 1031 G CA 0.080 45.165 45.100 -0.024 0.000 0.847 1031 G HN 0.554 nan 8.290 nan 0.000 0.548 1032 E N -1.480 118.721 120.200 0.002 0.000 2.340 1032 E HA 0.320 4.671 4.350 0.001 0.000 0.198 1032 E C 0.985 177.608 176.600 0.039 0.000 0.961 1032 E CA 0.839 57.257 56.400 0.031 0.000 0.905 1032 E CB 0.720 30.446 29.700 0.044 0.000 0.884 1032 E HN 0.575 nan 8.360 nan 0.000 0.491 1033 V N 2.745 122.669 119.914 0.016 0.000 2.357 1033 V HA 0.285 4.406 4.120 0.001 0.000 0.284 1033 V C -0.448 175.639 176.094 -0.011 0.000 1.018 1033 V CA -0.873 61.439 62.300 0.021 0.000 0.841 1033 V CB 1.355 33.189 31.823 0.019 0.000 0.991 1033 V HN 0.039 nan 8.190 nan 0.000 0.437 1034 Q N 4.062 123.858 119.800 -0.006 0.000 2.235 1034 Q HA 0.615 4.955 4.340 0.001 0.000 0.256 1034 Q C -0.602 175.359 176.000 -0.064 0.000 0.951 1034 Q CA -0.576 55.200 55.803 -0.046 0.000 0.890 1034 Q CB 2.898 31.601 28.738 -0.059 0.000 1.279 1034 Q HN 0.652 nan 8.270 nan 0.000 0.444 1035 I N 2.099 122.612 120.570 -0.095 0.000 2.331 1035 I HA 0.317 4.488 4.170 0.001 0.000 0.292 1035 I C 0.247 176.246 176.117 -0.197 0.000 0.998 1035 I CA -0.935 60.288 61.300 -0.128 0.000 1.267 1035 I CB 1.106 39.045 38.000 -0.101 0.000 1.386 1035 I HN 0.277 nan 8.210 nan 0.000 0.476 1036 V N 2.068 121.784 119.914 -0.331 0.000 2.864 1036 V HA 0.757 4.877 4.120 0.001 0.000 0.314 1036 V C -0.273 175.484 176.094 -0.563 0.000 1.073 1036 V CA -0.334 61.695 62.300 -0.451 0.000 0.956 1036 V CB 1.939 33.438 31.823 -0.541 0.000 1.023 1036 V HN 0.678 nan 8.190 nan 0.000 0.435 1037 S N 1.278 116.745 115.700 -0.389 0.000 2.549 1037 S HA 0.836 5.307 4.470 0.001 0.000 0.280 1037 S C 0.001 174.523 174.600 -0.130 0.000 1.109 1037 S CA -0.130 57.923 58.200 -0.245 0.000 0.905 1037 S CB 2.174 65.297 63.200 -0.128 0.000 1.081 1037 S HN 1.323 nan 8.310 nan 0.000 0.477 1038 T N -0.847 113.715 114.554 0.012 0.000 2.855 1038 T HA 0.735 5.085 4.350 0.001 0.000 0.275 1038 T C 1.340 176.061 174.700 0.034 0.000 1.022 1038 T CA -0.106 62.028 62.100 0.055 0.000 0.977 1038 T CB 0.304 69.258 68.868 0.142 0.000 1.559 1038 T HN 0.524 nan 8.240 nan 0.000 0.600 1039 A N 0.241 123.083 122.820 0.036 0.000 2.066 1039 A HA 0.118 4.439 4.320 0.001 0.000 0.218 1039 A C 2.198 179.806 177.584 0.039 0.000 1.157 1039 A CA 1.737 53.791 52.037 0.027 0.000 0.670 1039 A CB -1.297 17.715 19.000 0.020 0.000 0.804 1039 A HN 1.018 nan 8.150 nan 0.000 0.453 1040 T N -4.236 110.354 114.554 0.060 0.000 2.985 1040 T HA 0.356 4.707 4.350 0.001 0.000 0.254 1040 T C 0.421 175.173 174.700 0.087 0.000 1.021 1040 T CA -0.183 61.954 62.100 0.062 0.000 0.957 1040 T CB 0.205 69.105 68.868 0.053 0.000 1.047 1040 T HN 0.411 nan 8.240 nan 0.000 0.511 1041 Q N 0.601 120.480 119.800 0.131 0.000 2.377 1041 Q HA 0.533 4.873 4.340 0.001 0.000 0.279 1041 Q C -1.588 174.545 176.000 0.223 0.000 1.049 1041 Q CA -0.686 55.238 55.803 0.201 0.000 0.825 1041 Q CB 2.622 31.521 28.738 0.269 0.000 1.401 1041 Q HN 0.148 nan 8.270 nan 0.000 0.404 1042 T N 1.892 116.567 114.554 0.202 0.000 2.887 1042 T HA 0.835 5.185 4.350 0.001 0.000 0.288 1042 T C -0.881 173.966 174.700 0.246 0.000 1.021 1042 T CA -0.433 61.711 62.100 0.074 0.000 1.000 1042 T CB 0.612 69.477 68.868 -0.005 0.000 1.034 1042 T HN 0.499 nan 8.240 nan 0.000 0.467 1043 F N -0.343 119.602 119.950 -0.007 0.000 3.215 1043 F HA 0.788 5.316 4.527 0.001 0.000 0.326 1043 F C -2.134 173.669 175.800 0.005 0.000 1.189 1043 F CA -1.641 56.358 58.000 -0.002 0.000 0.905 1043 F CB 0.673 39.669 39.000 -0.006 0.000 1.485 1043 F HN 0.367 nan 8.300 nan 0.000 0.508 1044 L N 0.983 122.337 121.223 0.218 0.000 2.303 1044 L HA 0.965 5.306 4.340 0.001 0.000 0.266 1044 L C -0.698 176.290 176.870 0.197 0.000 1.011 1044 L CA -1.262 53.642 54.840 0.106 0.000 0.818 1044 L CB 1.903 44.037 42.059 0.125 0.000 1.326 1044 L HN 0.993 nan 8.230 nan 0.000 0.435 1045 A N 0.179 123.078 122.820 0.133 0.000 2.520 1045 A HA 0.794 5.115 4.320 0.001 0.000 0.298 1045 A C -0.993 176.694 177.584 0.172 0.000 1.051 1045 A CA -0.408 51.753 52.037 0.206 0.000 0.690 1045 A CB 1.888 21.015 19.000 0.211 0.000 1.281 1045 A HN 0.561 nan 8.150 nan 0.000 0.402 1046 T N 1.298 115.993 114.554 0.235 0.000 2.848 1046 T HA 0.517 4.868 4.350 0.001 0.000 0.285 1046 T C -0.114 174.751 174.700 0.274 0.000 0.995 1046 T CA -0.314 61.916 62.100 0.215 0.000 0.970 1046 T CB 1.513 70.507 68.868 0.209 0.000 0.976 1046 T HN 0.778 nan 8.240 nan 0.000 0.441 1047 S N 3.356 119.171 115.700 0.192 0.000 2.465 1047 S HA 0.644 5.115 4.470 0.001 0.000 0.279 1047 S C -0.425 174.317 174.600 0.237 0.000 1.201 1047 S CA -0.625 57.685 58.200 0.183 0.000 1.053 1047 S CB -0.395 62.862 63.200 0.095 0.000 0.953 1047 S HN 0.546 nan 8.310 nan 0.000 0.488 1048 I N 4.407 125.192 120.570 0.358 0.000 2.569 1048 I HA 0.343 4.513 4.170 0.001 0.000 0.290 1048 I C -0.339 175.991 176.117 0.356 0.000 1.088 1048 I CA -0.947 60.557 61.300 0.341 0.000 1.047 1048 I CB 1.883 40.085 38.000 0.337 0.000 1.237 1048 I HN 0.582 nan 8.210 nan 0.000 0.421 1049 N N 4.377 123.202 118.700 0.207 0.000 2.727 1049 N HA -0.195 4.546 4.740 0.001 0.000 0.249 1049 N C 0.877 176.477 175.510 0.150 0.000 1.048 1049 N CA 1.497 54.648 53.050 0.169 0.000 0.714 1049 N CB -0.935 37.668 38.487 0.192 0.000 0.959 1049 N HN 1.202 nan 8.380 nan 0.000 0.544 1050 G N -2.746 106.119 108.800 0.108 0.000 2.153 1050 G HA2 -0.272 3.688 3.960 0.001 0.000 0.252 1050 G HA3 -0.272 3.688 3.960 0.001 0.000 0.252 1050 G C -0.126 174.777 174.900 0.005 0.000 0.994 1050 G CA 0.417 45.551 45.100 0.056 0.000 0.698 1050 G HN 0.573 nan 8.290 nan 0.000 0.521 1051 V N 0.331 120.213 119.914 -0.053 0.000 2.638 1051 V HA 0.650 4.771 4.120 0.001 0.000 0.306 1051 V C 0.008 175.842 176.094 -0.434 0.000 1.052 1051 V CA -0.988 61.107 62.300 -0.342 0.000 0.885 1051 V CB 1.900 33.260 31.823 -0.772 0.000 0.999 1051 V HN 0.428 nan 8.190 nan 0.000 0.424 1052 L N 5.235 126.300 121.223 -0.263 0.000 2.278 1052 L HA 0.537 4.878 4.340 0.001 0.000 0.287 1052 L C -1.016 175.828 176.870 -0.044 0.000 1.072 1052 L CA 0.248 55.068 54.840 -0.032 0.000 0.819 1052 L CB 0.312 42.446 42.059 0.126 0.000 1.176 1052 L HN 0.631 nan 8.230 nan 0.000 0.435 1053 W N 4.340 125.758 121.300 0.197 0.000 2.570 1053 W HA 0.752 5.413 4.660 0.001 0.000 0.337 1053 W C 0.439 177.059 176.519 0.169 0.000 1.067 1053 W CA -0.391 57.034 57.345 0.133 0.000 1.229 1053 W CB 1.923 31.433 29.460 0.083 0.000 1.355 1053 W HN 0.571 nan 8.180 nan 0.000 0.555 1054 T N -0.269 114.508 114.554 0.373 0.000 2.645 1054 T HA 0.484 4.835 4.350 0.001 0.000 0.300 1054 T C -1.289 173.491 174.700 0.135 0.000 1.210 1054 T CA -0.681 61.594 62.100 0.292 0.000 1.034 1054 T CB 0.380 69.517 68.868 0.448 0.000 1.537 1054 T HN 0.403 nan 8.240 nan 0.000 0.492 1055 V N 1.929 121.834 119.914 -0.015 0.000 2.546 1055 V HA 0.465 4.586 4.120 0.001 0.000 0.284 1055 V C 1.027 176.990 176.094 -0.218 0.000 1.050 1055 V CA -0.429 61.753 62.300 -0.197 0.000 0.981 1055 V CB 0.599 32.081 31.823 -0.569 0.000 0.990 1055 V HN 0.920 nan 8.190 nan 0.000 0.474 1056 Y N 4.071 124.266 120.300 -0.175 0.000 2.224 1056 Y HA -0.216 4.335 4.550 0.001 0.000 0.289 1056 Y C 2.564 178.387 175.900 -0.129 0.000 1.146 1056 Y CA 2.403 60.434 58.100 -0.116 0.000 1.182 1056 Y CB -0.214 38.216 38.460 -0.050 0.000 0.983 1056 Y HN 0.931 nan 8.280 nan 0.000 0.524 1057 H N -2.429 116.633 119.070 -0.014 0.000 2.518 1057 H HA -0.001 4.556 4.556 0.001 0.000 0.289 1057 H C 1.954 177.096 175.328 -0.310 0.000 1.051 1057 H CA 1.097 57.078 56.048 -0.111 0.000 1.280 1057 H CB -0.418 29.297 29.762 -0.078 0.000 1.380 1057 H HN 0.460 nan 8.280 nan 0.000 0.566 1058 G N 0.328 108.668 108.800 -0.767 0.000 2.486 1058 G HA2 0.125 4.086 3.960 0.001 0.000 0.210 1058 G HA3 0.125 4.086 3.960 0.001 0.000 0.210 1058 G C 1.776 176.363 174.900 -0.522 0.000 1.168 1058 G CA 0.553 44.978 45.100 -1.124 0.000 0.820 1058 G HN 0.545 nan 8.290 nan 0.000 0.544 1059 A N -0.259 122.382 122.820 -0.298 0.000 2.095 1059 A HA 0.524 4.844 4.320 0.001 0.000 0.212 1059 A C 1.908 179.404 177.584 -0.147 0.000 1.162 1059 A CA 1.397 53.479 52.037 0.075 0.000 0.753 1059 A CB -0.627 18.533 19.000 0.267 0.000 0.840 1059 A HN 1.610 nan 8.150 nan 0.000 0.468 1060 G N -0.100 108.380 108.800 -0.534 0.000 2.614 1060 G HA2 -0.372 3.589 3.960 0.001 0.000 0.303 1060 G HA3 -0.372 3.589 3.960 0.001 0.000 0.303 1060 G C 0.870 175.448 174.900 -0.536 0.000 1.270 1060 G CA 1.620 46.197 45.100 -0.870 0.000 0.988 1060 G HN 1.359 nan 8.290 nan 0.000 0.551 1061 T N -1.086 113.347 114.554 -0.202 0.000 3.244 1061 T HA 0.470 4.821 4.350 0.001 0.000 0.254 1061 T C 0.978 175.709 174.700 0.052 0.000 1.024 1061 T CA 0.461 62.557 62.100 -0.008 0.000 0.920 1061 T CB -0.042 68.863 68.868 0.061 0.000 1.042 1061 T HN 0.683 nan 8.240 nan 0.000 0.572 1062 R N 2.412 122.965 120.500 0.088 0.000 2.694 1062 R HA 0.344 4.684 4.340 0.001 0.000 0.268 1062 R C 0.861 177.358 176.300 0.329 0.000 1.061 1062 R CA -0.045 56.155 56.100 0.168 0.000 1.133 1062 R CB 0.375 30.777 30.300 0.170 0.000 1.020 1062 R HN 0.510 nan 8.270 nan 0.000 0.475 1063 T N -0.417 114.276 114.554 0.232 0.000 2.802 1063 T HA 0.267 4.618 4.350 0.001 0.000 0.305 1063 T C 0.488 175.214 174.700 0.043 0.000 1.053 1063 T CA -0.592 61.646 62.100 0.231 0.000 1.058 1063 T CB 0.712 69.625 68.868 0.076 0.000 0.988 1063 T HN 0.474 nan 8.240 nan 0.000 0.539 1064 I N 0.633 121.001 120.570 -0.335 0.000 2.493 1064 I HA 0.606 4.776 4.170 0.001 0.000 0.298 1064 I C 0.252 176.147 176.117 -0.369 0.000 0.998 1064 I CA -1.196 59.706 61.300 -0.663 0.000 1.137 1064 I CB 1.412 38.504 38.000 -1.515 0.000 1.310 1064 I HN 0.992 nan 8.210 nan 0.000 0.445 1065 A N 5.136 127.783 122.820 -0.289 0.000 2.425 1065 A HA 0.597 4.918 4.320 0.001 0.000 0.249 1065 A C -0.178 177.291 177.584 -0.192 0.000 1.084 1065 A CA 0.268 52.191 52.037 -0.190 0.000 0.781 1065 A CB 0.212 19.122 19.000 -0.150 0.000 1.019 1065 A HN 0.800 nan 8.150 nan 0.000 0.490 1066 S N 1.247 116.864 115.700 -0.139 0.000 2.625 1066 S HA 0.692 5.163 4.470 0.001 0.000 0.271 1066 S C -2.712 171.837 174.600 -0.084 0.000 1.161 1066 S CA -1.012 57.116 58.200 -0.120 0.000 0.820 1066 S CB 1.436 64.564 63.200 -0.120 0.000 1.137 1066 S HN 0.233 nan 8.310 nan 0.000 0.470 1067 P HA 0.105 nan 4.420 nan 0.000 0.223 1067 P C 0.974 178.246 177.300 -0.046 0.000 1.144 1067 P CA 1.812 64.879 63.100 -0.054 0.000 0.783 1067 P CB -0.243 31.429 31.700 -0.047 0.000 0.771 1068 K N -0.475 119.896 120.400 -0.048 0.000 2.372 1068 K HA 0.547 4.868 4.320 0.001 0.000 0.200 1068 K C 0.915 177.492 176.600 -0.039 0.000 1.022 1068 K CA 0.463 56.727 56.287 -0.039 0.000 1.125 1068 K CB -0.452 32.027 32.500 -0.035 0.000 0.855 1068 K HN 0.369 nan 8.250 nan 0.000 0.524 1069 G N 0.216 108.987 108.800 -0.048 0.000 2.498 1069 G HA2 0.003 3.964 3.960 0.001 0.000 0.651 1069 G HA3 0.003 3.964 3.960 0.001 0.000 0.651 1069 G C -3.223 171.644 174.900 -0.057 0.000 1.284 1069 G CA -0.442 44.631 45.100 -0.046 0.000 0.950 1069 G HN 0.191 nan 8.290 nan 0.000 0.511 1070 P HA 0.476 nan 4.420 nan 0.000 0.276 1070 P C -0.289 176.990 177.300 -0.034 0.000 1.230 1070 P CA -0.185 62.882 63.100 -0.054 0.000 0.776 1070 P CB 1.488 33.169 31.700 -0.032 0.000 0.888 1071 V N 4.137 124.025 119.914 -0.043 0.000 2.384 1071 V HA 0.206 4.327 4.120 0.001 0.000 0.287 1071 V C 0.576 176.748 176.094 0.130 0.000 1.020 1071 V CA -0.274 62.030 62.300 0.008 0.000 0.850 1071 V CB 1.427 33.228 31.823 -0.037 0.000 0.987 1071 V HN 0.523 nan 8.190 nan 0.000 0.436 1072 T N 4.836 119.462 114.554 0.120 0.000 2.926 1072 T HA 0.160 4.511 4.350 0.001 0.000 0.307 1072 T C 0.226 175.039 174.700 0.188 0.000 1.059 1072 T CA -0.149 62.039 62.100 0.146 0.000 1.122 1072 T CB 0.419 69.320 68.868 0.055 0.000 0.972 1072 T HN 0.687 nan 8.240 nan 0.000 0.545 1073 Q N 1.643 121.502 119.800 0.098 0.000 2.349 1073 Q HA 0.091 4.431 4.340 0.001 0.000 0.287 1073 Q C 1.238 177.123 176.000 -0.191 0.000 1.044 1073 Q CA 0.005 55.694 55.803 -0.191 0.000 0.918 1073 Q CB 0.486 29.008 28.738 -0.361 0.000 1.242 1073 Q HN 0.659 nan 8.270 nan 0.000 0.405 1074 M N 2.045 121.458 119.600 -0.312 0.000 2.394 1074 M HA 0.024 4.505 4.480 0.001 0.000 0.266 1074 M C -0.835 175.028 176.300 -0.729 0.000 1.098 1074 M CA 1.148 56.128 55.300 -0.534 0.000 1.149 1074 M CB 0.666 32.871 32.600 -0.658 0.000 1.369 1074 M HN 0.558 nan 8.290 nan 0.000 0.450 1075 Y N -0.789 119.426 120.300 -0.141 0.000 2.470 1075 Y HA 0.466 5.017 4.550 0.001 0.000 0.341 1075 Y C -0.900 174.966 175.900 -0.057 0.000 1.021 1075 Y CA -1.229 56.845 58.100 -0.043 0.000 1.025 1075 Y CB 2.048 40.553 38.460 0.076 0.000 1.266 1075 Y HN -0.189 nan 8.280 nan 0.000 0.448 1076 T N 2.624 117.269 114.554 0.151 0.000 3.109 1076 T HA 0.312 4.663 4.350 0.001 0.000 0.311 1076 T C -1.468 173.273 174.700 0.069 0.000 1.011 1076 T CA -0.946 61.212 62.100 0.097 0.000 1.026 1076 T CB 1.015 69.928 68.868 0.074 0.000 1.047 1076 T HN 0.497 nan 8.240 nan 0.000 0.448 1077 N N 2.728 121.448 118.700 0.034 0.000 2.653 1077 N HA 0.131 4.871 4.740 0.001 0.000 0.261 1077 N C 0.791 176.207 175.510 -0.156 0.000 1.216 1077 N CA -0.362 52.659 53.050 -0.049 0.000 0.784 1077 N CB 1.643 40.123 38.487 -0.012 0.000 1.327 1077 N HN 0.383 nan 8.380 nan 0.000 0.539 1078 V N 2.343 122.035 119.914 -0.369 0.000 2.380 1078 V HA -0.206 3.915 4.120 0.001 0.000 0.251 1078 V C 1.225 177.157 176.094 -0.269 0.000 1.063 1078 V CA 2.129 64.078 62.300 -0.585 0.000 1.055 1078 V CB -0.027 31.321 31.823 -0.793 0.000 0.657 1078 V HN 0.536 nan 8.190 nan 0.000 0.455 1079 D N -0.367 119.926 120.400 -0.179 0.000 2.219 1079 D HA -0.114 4.527 4.640 0.001 0.000 0.205 1079 D C 2.035 178.281 176.300 -0.091 0.000 0.970 1079 D CA 1.187 55.117 54.000 -0.117 0.000 0.851 1079 D CB -0.093 40.651 40.800 -0.092 0.000 0.943 1079 D HN 0.512 nan 8.370 nan 0.000 0.488 1080 K N 0.275 120.624 120.400 -0.084 0.000 2.374 1080 K HA -0.013 4.308 4.320 0.001 0.000 0.196 1080 K C -0.115 176.460 176.600 -0.041 0.000 1.023 1080 K CA -0.064 56.183 56.287 -0.067 0.000 1.103 1080 K CB 0.685 33.142 32.500 -0.072 0.000 0.848 1080 K HN -0.182 nan 8.250 nan 0.000 0.528 1081 D N 1.132 121.515 120.400 -0.029 0.000 2.723 1081 D HA -0.189 4.452 4.640 0.001 0.000 0.236 1081 D C -1.441 174.901 176.300 0.071 0.000 1.138 1081 D CA 0.535 54.563 54.000 0.047 0.000 0.676 1081 D CB -0.850 39.998 40.800 0.081 0.000 1.069 1081 D HN 0.073 nan 8.370 nan 0.000 0.430 1082 L N 0.098 121.365 121.223 0.073 0.000 2.410 1082 L HA 0.747 5.088 4.340 0.001 0.000 0.270 1082 L C -0.786 176.176 176.870 0.154 0.000 0.983 1082 L CA -0.826 54.074 54.840 0.099 0.000 0.822 1082 L CB 2.058 44.141 42.059 0.040 0.000 1.285 1082 L HN 0.048 nan 8.230 nan 0.000 0.409 1083 V N 1.164 121.163 119.914 0.142 0.000 3.102 1083 V HA 1.113 5.234 4.120 0.001 0.000 0.312 1083 V C -0.449 175.628 176.094 -0.028 0.000 1.135 1083 V CA 0.041 62.340 62.300 -0.002 0.000 1.022 1083 V CB 1.666 33.341 31.823 -0.246 0.000 1.056 1083 V HN 1.034 nan 8.190 nan 0.000 0.436 1084 G N 1.083 109.699 108.800 -0.307 0.000 2.733 1084 G HA2 0.636 4.597 3.960 0.001 0.000 0.297 1084 G HA3 0.636 4.597 3.960 0.001 0.000 0.297 1084 G C -1.749 172.811 174.900 -0.567 0.000 1.422 1084 G CA -0.614 44.190 45.100 -0.493 0.000 0.942 1084 G HN 0.797 nan 8.290 nan 0.000 0.510 1085 W N 0.449 121.612 121.300 -0.228 0.000 2.882 1085 W HA 0.442 5.103 4.660 0.001 0.000 0.345 1085 W C 0.151 176.534 176.519 -0.227 0.000 1.125 1085 W CA -0.878 56.354 57.345 -0.188 0.000 1.167 1085 W CB 1.856 31.244 29.460 -0.120 0.000 1.431 1085 W HN 0.539 nan 8.180 nan 0.000 0.543 1086 Q N 1.607 121.440 119.800 0.054 0.000 2.269 1086 Q HA 0.241 4.581 4.340 0.001 0.000 0.300 1086 Q C 0.252 176.253 176.000 0.002 0.000 1.070 1086 Q CA 0.150 55.947 55.803 -0.011 0.000 0.957 1086 Q CB 0.770 29.498 28.738 -0.017 0.000 1.131 1086 Q HN 0.462 nan 8.270 nan 0.000 0.377 1087 A N 6.335 129.142 122.820 -0.021 0.000 2.540 1087 A HA 0.233 4.554 4.320 0.001 0.000 0.239 1087 A C -2.154 175.417 177.584 -0.022 0.000 1.061 1087 A CA -0.974 51.054 52.037 -0.015 0.000 0.758 1087 A CB -0.218 18.778 19.000 -0.006 0.000 0.991 1087 A HN 0.608 nan 8.150 nan 0.000 0.502 1088 P HA 0.407 nan 4.420 nan 0.000 0.271 1088 P C 0.190 177.469 177.300 -0.035 0.000 1.218 1088 P CA 0.303 63.373 63.100 -0.051 0.000 0.780 1088 P CB 0.277 31.933 31.700 -0.074 0.000 0.901 1089 Q N 1.513 121.292 119.800 -0.035 0.000 2.320 1089 Q HA 0.334 4.674 4.340 0.001 0.000 0.311 1089 Q C 1.370 177.355 176.000 -0.026 0.000 1.083 1089 Q CA 0.689 56.476 55.803 -0.027 0.000 1.001 1089 Q CB -1.378 27.343 28.738 -0.028 0.000 1.074 1089 Q HN 0.948 nan 8.270 nan 0.000 0.379 1090 G N 0.745 109.534 108.800 -0.018 0.000 2.254 1090 G HA2 -0.185 3.776 3.960 0.001 0.000 0.225 1090 G HA3 -0.185 3.776 3.960 0.001 0.000 0.225 1090 G C 0.837 175.729 174.900 -0.014 0.000 1.003 1090 G CA 0.627 45.717 45.100 -0.017 0.000 0.622 1090 G HN 2.093 nan 8.290 nan 0.000 0.507 1091 S N -0.029 115.662 115.700 -0.014 0.000 2.608 1091 S HA 0.771 5.242 4.470 0.001 0.000 0.261 1091 S C 0.373 174.976 174.600 0.005 0.000 1.314 1091 S CA 1.060 59.256 58.200 -0.007 0.000 0.992 1091 S CB 1.437 64.633 63.200 -0.006 0.000 0.935 1091 S HN 1.855 nan 8.310 nan 0.000 0.564 1092 R N 0.144 120.652 120.500 0.014 0.000 2.854 1092 R HA 0.795 5.136 4.340 0.001 0.000 0.271 1092 R C -0.328 175.996 176.300 0.041 0.000 0.994 1092 R CA -0.867 55.247 56.100 0.024 0.000 0.945 1092 R CB 0.985 31.298 30.300 0.022 0.000 1.194 1092 R HN 0.788 nan 8.270 nan 0.000 0.476 1093 S N 0.703 116.434 115.700 0.052 0.000 2.565 1093 S HA 0.640 5.111 4.470 0.001 0.000 0.290 1093 S C 0.009 174.656 174.600 0.079 0.000 1.150 1093 S CA -0.548 57.698 58.200 0.076 0.000 1.058 1093 S CB 0.877 64.128 63.200 0.085 0.000 1.032 1093 S HN 0.485 nan 8.310 nan 0.000 0.510 1094 L N 2.028 123.310 121.223 0.098 0.000 2.417 1094 L HA 0.357 4.698 4.340 0.001 0.000 0.268 1094 L C 1.032 177.954 176.870 0.086 0.000 1.158 1094 L CA -0.331 54.570 54.840 0.102 0.000 0.819 1094 L CB 0.615 42.740 42.059 0.110 0.000 1.112 1094 L HN 0.569 nan 8.230 nan 0.000 0.458 1095 T N 1.851 116.446 114.554 0.068 0.000 2.837 1095 T HA 0.438 4.788 4.350 0.001 0.000 0.285 1095 T C -2.499 172.167 174.700 -0.057 0.000 0.984 1095 T CA -1.965 60.114 62.100 -0.035 0.000 1.049 1095 T CB 1.474 70.257 68.868 -0.142 0.000 0.947 1095 T HN 0.220 nan 8.240 nan 0.000 0.472 1096 P HA 0.130 nan 4.420 nan 0.000 0.265 1096 P C 0.019 177.288 177.300 -0.051 0.000 1.193 1096 P CA -0.531 62.554 63.100 -0.025 0.000 0.765 1096 P CB 0.158 31.843 31.700 -0.024 0.000 0.823 1097 C N 3.752 123.074 119.300 0.038 0.000 2.634 1097 C HA 0.168 4.629 4.460 0.001 0.000 0.418 1097 C C 1.623 176.633 174.990 0.034 0.000 1.373 1097 C CA 0.971 60.041 59.018 0.087 0.000 1.756 1097 C CB -1.286 26.515 27.740 0.101 0.000 2.589 1097 C HN 0.774 nan 8.230 nan 0.000 0.602 1098 T N 1.002 115.581 114.554 0.041 0.000 3.145 1098 T HA 0.081 4.431 4.350 0.001 0.000 0.281 1098 T C 0.899 175.627 174.700 0.046 0.000 1.003 1098 T CA 0.397 62.511 62.100 0.025 0.000 0.901 1098 T CB -0.836 68.030 68.868 -0.004 0.000 1.112 1098 T HN 0.992 nan 8.240 nan 0.000 0.535 1099 C N -0.173 119.168 119.300 0.069 0.000 2.799 1099 C HA 0.699 5.159 4.460 0.001 0.000 0.267 1099 C C 2.281 177.298 174.990 0.045 0.000 1.257 1099 C CA -0.099 58.955 59.018 0.060 0.000 1.702 1099 C CB -1.258 26.526 27.740 0.073 0.000 1.934 1099 C HN 0.804 nan 8.230 nan 0.000 0.594 1100 G N 1.648 110.474 108.800 0.043 0.000 2.203 1100 G HA2 -0.259 3.702 3.960 0.001 0.000 0.263 1100 G HA3 -0.259 3.702 3.960 0.001 0.000 0.263 1100 G C 0.208 175.130 174.900 0.036 0.000 1.012 1100 G CA 0.750 45.872 45.100 0.037 0.000 0.749 1100 G HN 0.964 nan 8.290 nan 0.000 0.512 1101 S N -0.770 114.953 115.700 0.039 0.000 2.562 1101 S HA 0.482 4.953 4.470 0.001 0.000 0.281 1101 S C 1.489 176.104 174.600 0.025 0.000 1.333 1101 S CA 0.616 58.836 58.200 0.034 0.000 1.052 1101 S CB 0.874 64.100 63.200 0.045 0.000 0.884 1101 S HN 0.441 nan 8.310 nan 0.000 0.506 1102 S N 2.406 118.115 115.700 0.015 0.000 2.540 1102 S HA 0.159 4.630 4.470 0.001 0.000 0.218 1102 S C -0.478 174.104 174.600 -0.030 0.000 0.977 1102 S CA -0.307 57.896 58.200 0.006 0.000 0.918 1102 S CB 0.041 63.249 63.200 0.013 0.000 0.806 1102 S HN 0.681 nan 8.310 nan 0.000 0.496 1103 D N 2.355 122.733 120.400 -0.037 0.000 2.380 1103 D HA 0.337 4.977 4.640 0.001 0.000 0.230 1103 D C -0.316 175.882 176.300 -0.170 0.000 1.154 1103 D CA 0.120 54.056 54.000 -0.107 0.000 0.859 1103 D CB 0.780 41.557 40.800 -0.038 0.000 1.045 1103 D HN 0.242 nan 8.370 nan 0.000 0.495 1104 L N 1.700 122.731 121.223 -0.319 0.000 2.313 1104 L HA 0.511 4.852 4.340 0.001 0.000 0.268 1104 L C -0.784 175.709 176.870 -0.629 0.000 1.010 1104 L CA -1.105 53.561 54.840 -0.290 0.000 0.814 1104 L CB 1.225 43.144 42.059 -0.234 0.000 1.304 1104 L HN 0.237 nan 8.230 nan 0.000 0.441 1105 Y N 1.160 121.404 120.300 -0.093 0.000 2.329 1105 Y HA 0.380 4.931 4.550 0.001 0.000 0.328 1105 Y C -0.476 175.365 175.900 -0.099 0.000 0.992 1105 Y CA -0.638 57.416 58.100 -0.078 0.000 1.151 1105 Y CB 1.960 40.386 38.460 -0.056 0.000 1.150 1105 Y HN 0.253 nan 8.280 nan 0.000 0.450 1106 L N 4.763 125.971 121.223 -0.026 0.000 2.290 1106 L HA 0.597 4.938 4.340 0.001 0.000 0.284 1106 L C -0.928 175.927 176.870 -0.026 0.000 1.078 1106 L CA -0.394 54.392 54.840 -0.090 0.000 0.815 1106 L CB 0.767 42.690 42.059 -0.227 0.000 1.162 1106 L HN 0.420 nan 8.230 nan 0.000 0.435 1107 V N 4.885 124.791 119.914 -0.013 0.000 2.383 1107 V HA 0.445 4.566 4.120 0.001 0.000 0.275 1107 V C 0.621 176.710 176.094 -0.007 0.000 1.036 1107 V CA -0.203 62.103 62.300 0.010 0.000 0.889 1107 V CB 1.141 32.977 31.823 0.022 0.000 0.985 1107 V HN 0.962 nan 8.190 nan 0.000 0.459 1108 T N 2.272 116.820 114.554 -0.009 0.000 2.897 1108 T HA 0.353 4.704 4.350 0.001 0.000 0.278 1108 T C 1.171 175.823 174.700 -0.080 0.000 0.981 1108 T CA -0.543 61.525 62.100 -0.054 0.000 0.973 1108 T CB 1.008 69.832 68.868 -0.073 0.000 1.092 1108 T HN 0.721 nan 8.240 nan 0.000 0.543 1109 R N -0.277 120.104 120.500 -0.199 0.000 2.237 1109 R HA -0.036 4.305 4.340 0.001 0.000 0.219 1109 R C 0.926 177.071 176.300 -0.259 0.000 1.080 1109 R CA 0.966 56.922 56.100 -0.240 0.000 0.995 1109 R CB -0.562 29.553 30.300 -0.307 0.000 0.875 1109 R HN 0.662 nan 8.270 nan 0.000 0.462 1110 H N 0.641 119.696 119.070 -0.026 0.000 2.524 1110 H HA 0.327 4.883 4.556 0.001 0.000 0.280 1110 H C 0.882 176.246 175.328 0.060 0.000 1.018 1110 H CA 0.179 56.241 56.048 0.022 0.000 1.165 1110 H CB 0.689 30.474 29.762 0.038 0.000 1.411 1110 H HN 0.410 nan 8.280 nan 0.000 0.569 1111 A N 0.987 123.873 122.820 0.111 0.000 2.826 1111 A HA -0.213 4.107 4.320 0.001 0.000 0.274 1111 A C 0.005 177.662 177.584 0.121 0.000 1.443 1111 A CA 0.856 52.949 52.037 0.092 0.000 0.833 1111 A CB -1.817 17.240 19.000 0.095 0.000 1.023 1111 A HN 0.433 nan 8.150 nan 0.000 0.600 1112 D N -0.616 119.878 120.400 0.155 0.000 2.372 1112 D HA 0.392 5.033 4.640 0.001 0.000 0.243 1112 D C 0.065 176.431 176.300 0.110 0.000 1.121 1112 D CA 0.188 54.283 54.000 0.159 0.000 0.898 1112 D CB 1.385 42.333 40.800 0.247 0.000 1.202 1112 D HN 0.190 nan 8.370 nan 0.000 0.428 1113 V N 3.322 123.300 119.914 0.105 0.000 2.304 1113 V HA 0.274 4.394 4.120 0.001 0.000 0.278 1113 V C 0.211 176.398 176.094 0.155 0.000 1.018 1113 V CA -0.552 61.817 62.300 0.115 0.000 0.814 1113 V CB 0.814 32.685 31.823 0.081 0.000 1.021 1113 V HN 0.356 nan 8.190 nan 0.000 0.440 1114 I N 7.370 128.011 120.570 0.119 0.000 2.354 1114 I HA 0.373 4.544 4.170 0.001 0.000 0.286 1114 I C -2.356 173.749 176.117 -0.021 0.000 1.007 1114 I CA -2.134 59.200 61.300 0.057 0.000 1.167 1114 I CB 2.385 40.394 38.000 0.015 0.000 1.320 1114 I HN 0.369 nan 8.210 nan 0.000 0.458 1115 P HA 0.074 nan 4.420 nan 0.000 0.264 1115 P C -0.853 176.306 177.300 -0.235 0.000 1.193 1115 P CA 0.085 63.003 63.100 -0.304 0.000 0.763 1115 P CB 0.696 32.280 31.700 -0.195 0.000 0.810 1116 V N 4.267 123.997 119.914 -0.307 0.000 2.686 1116 V HA 0.427 4.548 4.120 0.001 0.000 0.306 1116 V C 0.109 176.098 176.094 -0.175 0.000 1.065 1116 V CA -0.791 61.399 62.300 -0.183 0.000 0.894 1116 V CB 2.206 33.935 31.823 -0.157 0.000 1.004 1116 V HN 0.403 nan 8.190 nan 0.000 0.424 1117 R N 3.829 124.273 120.500 -0.093 0.000 2.265 1117 R HA 0.509 4.850 4.340 0.001 0.000 0.319 1117 R C 0.086 176.385 176.300 -0.001 0.000 1.006 1117 R CA -0.484 55.580 56.100 -0.060 0.000 0.880 1117 R CB 0.847 31.123 30.300 -0.040 0.000 1.077 1117 R HN 0.758 nan 8.270 nan 0.000 0.454 1118 R N 2.848 123.359 120.500 0.018 0.000 2.590 1118 R HA 0.059 4.400 4.340 0.001 0.000 0.274 1118 R C 0.172 176.518 176.300 0.076 0.000 1.061 1118 R CA 0.060 56.220 56.100 0.100 0.000 1.081 1118 R CB 0.612 30.983 30.300 0.119 0.000 0.984 1118 R HN 0.689 nan 8.270 nan 0.000 0.448 1119 R N 1.864 122.417 120.500 0.089 0.000 2.276 1119 R HA 0.257 4.598 4.340 0.001 0.000 0.195 1119 R C 0.526 176.842 176.300 0.026 0.000 0.908 1119 R CA 0.776 56.903 56.100 0.045 0.000 1.083 1119 R CB 0.986 31.307 30.300 0.035 0.000 1.182 1119 R HN 0.796 nan 8.270 nan 0.000 0.608 1120 G N -0.934 107.878 108.800 0.019 0.000 2.947 1120 G HA2 0.301 4.261 3.960 0.001 0.000 0.293 1120 G HA3 0.301 4.261 3.960 0.001 0.000 0.293 1120 G C 0.195 175.079 174.900 -0.027 0.000 1.243 1120 G CA 0.320 45.413 45.100 -0.012 0.000 0.802 1120 G HN 0.003 nan 8.290 nan 0.000 0.560 1121 D N -1.103 119.253 120.400 -0.074 0.000 2.178 1121 D HA 0.036 4.676 4.640 0.001 0.000 0.201 1121 D C 1.985 178.108 176.300 -0.294 0.000 0.980 1121 D CA 2.650 56.592 54.000 -0.097 0.000 0.842 1121 D CB -0.181 40.562 40.800 -0.095 0.000 0.948 1121 D HN 1.187 nan 8.370 nan 0.000 0.472 1122 S N -2.639 112.769 115.700 -0.487 0.000 2.937 1122 S HA 0.363 4.834 4.470 0.001 0.000 0.252 1122 S C 0.366 174.385 174.600 -0.969 0.000 1.022 1122 S CA -0.553 57.072 58.200 -0.958 0.000 1.079 1122 S CB 0.684 63.590 63.200 -0.491 0.000 1.035 1122 S HN 0.341 nan 8.310 nan 0.000 0.594 1123 R N 0.157 120.342 120.500 -0.524 0.000 2.795 1123 R HA 0.778 5.119 4.340 0.001 0.000 0.275 1123 R C -0.578 175.841 176.300 0.198 0.000 0.981 1123 R CA -0.255 55.780 56.100 -0.108 0.000 0.917 1123 R CB 2.094 32.359 30.300 -0.059 0.000 1.202 1123 R HN 0.369 nan 8.270 nan 0.000 0.469 1124 G N -0.109 108.841 108.800 0.249 0.000 2.692 1124 G HA2 0.437 4.397 3.960 0.001 0.000 0.291 1124 G HA3 0.437 4.397 3.960 0.001 0.000 0.291 1124 G C -1.357 173.606 174.900 0.106 0.000 1.423 1124 G CA -0.473 44.746 45.100 0.198 0.000 0.843 1124 G HN 0.485 nan 8.290 nan 0.000 0.486 1125 S N -0.039 115.693 115.700 0.053 0.000 2.482 1125 S HA 0.686 5.157 4.470 0.001 0.000 0.303 1125 S C -0.205 174.394 174.600 -0.001 0.000 1.091 1125 S CA -0.755 57.462 58.200 0.028 0.000 1.057 1125 S CB 1.591 64.803 63.200 0.019 0.000 1.031 1125 S HN 0.594 nan 8.310 nan 0.000 0.485 1126 L N 2.929 124.152 121.223 0.000 0.000 2.456 1126 L HA 0.147 4.488 4.340 0.001 0.000 0.272 1126 L C 0.874 177.730 176.870 -0.023 0.000 1.189 1126 L CA -0.659 54.169 54.840 -0.020 0.000 0.846 1126 L CB 0.265 42.320 42.059 -0.006 0.000 1.111 1126 L HN 0.686 nan 8.230 nan 0.000 0.475 1127 L N 1.596 122.796 121.223 -0.039 0.000 2.156 1127 L HA -0.013 4.327 4.340 0.001 0.000 0.208 1127 L C 0.694 177.552 176.870 -0.019 0.000 1.095 1127 L CA 1.218 56.039 54.840 -0.032 0.000 0.770 1127 L CB -0.218 41.815 42.059 -0.044 0.000 0.914 1127 L HN 0.514 nan 8.230 nan 0.000 0.439 1128 S N -0.876 114.814 115.700 -0.017 0.000 2.532 1128 S HA 0.526 4.997 4.470 0.001 0.000 0.299 1128 S C -2.461 172.135 174.600 -0.007 0.000 1.105 1128 S CA -1.202 56.991 58.200 -0.013 0.000 1.018 1128 S CB 1.689 64.879 63.200 -0.016 0.000 1.021 1128 S HN -0.149 nan 8.310 nan 0.000 0.483 1129 P HA 0.201 nan 4.420 nan 0.000 0.266 1129 P C -0.497 176.803 177.300 -0.000 0.000 1.195 1129 P CA -0.062 63.041 63.100 0.004 0.000 0.768 1129 P CB 0.428 32.129 31.700 0.003 0.000 0.838 1130 R N 2.802 123.314 120.500 0.021 0.000 2.771 1130 R HA 0.462 4.802 4.340 0.001 0.000 0.274 1130 R C -2.795 173.542 176.300 0.062 0.000 0.987 1130 R CA -2.289 53.825 56.100 0.024 0.000 0.908 1130 R CB 1.310 31.648 30.300 0.063 0.000 1.213 1130 R HN 0.229 nan 8.270 nan 0.000 0.468 1131 P HA 0.094 nan 4.420 nan 0.000 0.268 1131 P C 0.812 178.203 177.300 0.151 0.000 1.204 1131 P CA 0.062 63.220 63.100 0.096 0.000 0.768 1131 P CB 0.537 32.294 31.700 0.093 0.000 0.842 1132 I N 2.834 123.477 120.570 0.123 0.000 2.361 1132 I HA -0.286 3.885 4.170 0.001 0.000 0.251 1132 I C 1.896 178.104 176.117 0.152 0.000 1.133 1132 I CA 1.818 63.200 61.300 0.136 0.000 1.413 1132 I CB -0.069 37.993 38.000 0.103 0.000 1.073 1132 I HN 0.359 nan 8.210 nan 0.000 0.424 1133 S N 0.039 115.824 115.700 0.142 0.000 2.400 1133 S HA -0.323 4.148 4.470 0.001 0.000 0.232 1133 S C 2.085 176.797 174.600 0.188 0.000 1.025 1133 S CA 1.290 59.575 58.200 0.142 0.000 0.993 1133 S CB -1.076 62.199 63.200 0.125 0.000 0.808 1133 S HN 0.653 nan 8.310 nan 0.000 0.478 1134 Y N 2.199 122.561 120.300 0.103 0.000 2.274 1134 Y HA 0.119 4.670 4.550 0.001 0.000 0.290 1134 Y C 1.812 177.804 175.900 0.153 0.000 1.145 1134 Y CA 1.055 59.233 58.100 0.129 0.000 1.203 1134 Y CB -0.287 38.232 38.460 0.098 0.000 0.984 1134 Y HN 0.263 nan 8.280 nan 0.000 0.533 1135 L N 0.042 121.329 121.223 0.108 0.000 2.558 1135 L HA 0.096 4.436 4.340 0.001 0.000 0.225 1135 L C 1.365 178.321 176.870 0.143 0.000 1.128 1135 L CA 0.275 55.175 54.840 0.099 0.000 0.868 1135 L CB -1.027 41.173 42.059 0.234 0.000 1.006 1135 L HN -0.023 nan 8.230 nan 0.000 0.454 1136 K N 1.058 121.519 120.400 0.102 0.000 2.511 1136 K HA 0.323 4.644 4.320 0.001 0.000 0.280 1136 K C 1.309 177.946 176.600 0.061 0.000 1.008 1136 K CA 0.533 56.876 56.287 0.093 0.000 1.050 1136 K CB -0.734 31.816 32.500 0.082 0.000 0.889 1136 K HN 0.475 nan 8.250 nan 0.000 0.484 1137 G N 0.812 109.674 108.800 0.103 0.000 2.179 1137 G HA2 -0.246 3.715 3.960 0.001 0.000 0.260 1137 G HA3 -0.246 3.715 3.960 0.001 0.000 0.260 1137 G C 1.192 176.155 174.900 0.105 0.000 0.977 1137 G CA 0.871 46.033 45.100 0.105 0.000 0.641 1137 G HN 1.155 nan 8.290 nan 0.000 0.533 1138 S N 0.065 115.862 115.700 0.161 0.000 2.535 1138 S HA 0.577 5.048 4.470 0.001 0.000 0.214 1138 S C 1.443 176.279 174.600 0.393 0.000 0.980 1138 S CA 0.704 59.043 58.200 0.231 0.000 0.907 1138 S CB 0.381 63.694 63.200 0.187 0.000 0.790 1138 S HN 1.559 nan 8.310 nan 0.000 0.510 1139 A N 0.929 123.893 122.820 0.240 0.000 2.565 1139 A HA 0.453 4.774 4.320 0.001 0.000 0.237 1139 A C 1.517 179.190 177.584 0.147 0.000 1.053 1139 A CA 0.739 52.791 52.037 0.026 0.000 0.755 1139 A CB -0.618 18.322 19.000 -0.100 0.000 0.980 1139 A HN 0.952 nan 8.150 nan 0.000 0.506 1140 G N 1.332 110.217 108.800 0.142 0.000 2.213 1140 G HA2 0.015 3.976 3.960 0.001 0.000 0.236 1140 G HA3 0.015 3.976 3.960 0.001 0.000 0.236 1140 G C 0.903 175.938 174.900 0.225 0.000 0.991 1140 G CA 0.416 45.638 45.100 0.205 0.000 0.629 1140 G HN 1.954 nan 8.290 nan 0.000 0.517 1141 G N 0.551 109.498 108.800 0.246 0.000 2.562 1141 G HA2 0.677 4.638 3.960 0.001 0.000 0.275 1141 G HA3 0.677 4.638 3.960 0.001 0.000 0.275 1141 G C -2.232 172.775 174.900 0.178 0.000 1.196 1141 G CA -0.568 44.644 45.100 0.187 0.000 0.908 1141 G HN 0.292 nan 8.290 nan 0.000 0.524 1142 P HA 0.264 nan 4.420 nan 0.000 0.288 1142 P C -0.696 176.613 177.300 0.015 0.000 1.267 1142 P CA -0.527 62.615 63.100 0.071 0.000 0.815 1142 P CB 1.756 33.493 31.700 0.062 0.000 0.989 1143 L N 4.036 125.226 121.223 -0.056 0.000 2.265 1143 L HA 0.398 4.739 4.340 0.001 0.000 0.288 1143 L C 0.503 177.318 176.870 -0.091 0.000 1.058 1143 L CA -0.279 54.468 54.840 -0.156 0.000 0.809 1143 L CB 0.251 42.044 42.059 -0.443 0.000 1.179 1143 L HN 0.355 nan 8.230 nan 0.000 0.429 1144 L N 3.223 124.440 121.223 -0.010 0.000 2.334 1144 L HA 0.521 4.862 4.340 0.001 0.000 0.273 1144 L C 0.584 177.509 176.870 0.092 0.000 1.013 1144 L CA -0.768 54.097 54.840 0.041 0.000 0.816 1144 L CB 2.113 44.202 42.059 0.051 0.000 1.278 1144 L HN 0.699 nan 8.230 nan 0.000 0.431 1145 C N 0.375 119.721 119.300 0.077 0.000 2.560 1145 C HA 0.366 4.826 4.460 0.001 0.000 0.334 1145 C C -1.129 173.938 174.990 0.129 0.000 1.404 1145 C CA -1.007 58.073 59.018 0.103 0.000 2.410 1145 C CB 0.488 28.271 27.740 0.072 0.000 2.268 1145 C HN 0.674 nan 8.230 nan 0.000 0.673 1146 P HA 0.024 nan 4.420 nan 0.000 0.220 1146 P C 1.349 178.584 177.300 -0.108 0.000 1.148 1146 P CA 2.504 65.636 63.100 0.055 0.000 0.803 1146 P CB -0.193 31.567 31.700 0.100 0.000 0.782 1147 A N -0.887 121.858 122.820 -0.125 0.000 2.235 1147 A HA 0.384 4.705 4.320 0.001 0.000 0.208 1147 A C 1.671 179.020 177.584 -0.392 0.000 1.172 1147 A CA 0.846 52.727 52.037 -0.261 0.000 0.786 1147 A CB -1.353 17.463 19.000 -0.306 0.000 0.804 1147 A HN 0.251 nan 8.150 nan 0.000 0.479 1148 G N -1.288 107.358 108.800 -0.257 0.000 2.136 1148 G HA2 -0.253 3.708 3.960 0.001 0.000 0.242 1148 G HA3 -0.253 3.708 3.960 0.001 0.000 0.242 1148 G C -0.021 174.813 174.900 -0.109 0.000 0.989 1148 G CA 0.462 45.451 45.100 -0.185 0.000 0.682 1148 G HN 0.807 nan 8.290 nan 0.000 0.522 1149 H N 0.127 119.201 119.070 0.008 0.000 2.488 1149 H HA 0.634 5.191 4.556 0.001 0.000 0.347 1149 H C 0.775 176.109 175.328 0.010 0.000 1.174 1149 H CA -0.383 55.672 56.048 0.012 0.000 1.307 1149 H CB 1.362 31.132 29.762 0.013 0.000 1.517 1149 H HN 0.480 nan 8.280 nan 0.000 0.554 1150 A N 1.811 124.721 122.820 0.150 0.000 2.409 1150 A HA 0.239 4.560 4.320 0.001 0.000 0.267 1150 A C 0.691 178.297 177.584 0.037 0.000 1.127 1150 A CA -0.450 51.628 52.037 0.070 0.000 0.795 1150 A CB 0.217 19.254 19.000 0.062 0.000 1.061 1150 A HN 0.592 nan 8.150 nan 0.000 0.502 1151 V N 2.340 122.246 119.914 -0.012 0.000 3.212 1151 V HA 0.428 4.549 4.120 0.001 0.000 0.244 1151 V C 1.242 177.312 176.094 -0.041 0.000 1.151 1151 V CA 1.251 63.527 62.300 -0.040 0.000 1.119 1151 V CB -0.164 31.596 31.823 -0.104 0.000 0.838 1151 V HN 1.248 nan 8.190 nan 0.000 0.470 1152 G N -0.480 108.270 108.800 -0.082 0.000 2.430 1152 G HA2 0.491 4.451 3.960 0.001 0.000 0.300 1152 G HA3 0.491 4.451 3.960 0.001 0.000 0.300 1152 G C -2.074 172.851 174.900 0.041 0.000 1.330 1152 G CA -0.548 44.574 45.100 0.037 0.000 0.813 1152 G HN -0.155 nan 8.290 nan 0.000 0.487 1153 I N 1.063 121.715 120.570 0.137 0.000 2.389 1153 I HA 0.348 4.519 4.170 0.001 0.000 0.288 1153 I C -0.389 175.886 176.117 0.262 0.000 0.999 1153 I CA -0.841 60.550 61.300 0.151 0.000 1.129 1153 I CB 1.229 39.282 38.000 0.089 0.000 1.288 1153 I HN 0.468 nan 8.210 nan 0.000 0.444 1154 F N 7.306 127.325 119.950 0.116 0.000 2.578 1154 F HA 0.140 4.668 4.527 0.001 0.000 0.376 1154 F C 1.255 177.143 175.800 0.147 0.000 1.085 1154 F CA 0.543 58.631 58.000 0.146 0.000 1.260 1154 F CB 0.611 39.669 39.000 0.098 0.000 1.095 1154 F HN 0.598 nan 8.300 nan 0.000 0.573 1155 R N 3.463 123.750 120.500 -0.354 0.000 2.197 1155 R HA 0.614 4.955 4.340 0.001 0.000 0.188 1155 R C -0.751 175.258 176.300 -0.486 0.000 1.015 1155 R CA 0.621 56.547 56.100 -0.291 0.000 1.132 1155 R CB 0.449 30.711 30.300 -0.064 0.000 1.134 1155 R HN 0.719 nan 8.270 nan 0.000 0.560 1156 A N 0.054 122.573 122.820 -0.501 0.000 2.610 1156 A HA 0.739 5.059 4.320 0.001 0.000 0.291 1156 A C -1.830 175.779 177.584 0.042 0.000 1.086 1156 A CA -0.362 51.508 52.037 -0.278 0.000 0.677 1156 A CB 1.461 20.369 19.000 -0.154 0.000 1.278 1156 A HN 0.284 nan 8.150 nan 0.000 0.414 1157 A N 0.085 122.985 122.820 0.133 0.000 2.374 1157 A HA 0.743 5.064 4.320 0.001 0.000 0.317 1157 A C -0.797 176.852 177.584 0.110 0.000 1.094 1157 A CA -0.518 51.655 52.037 0.226 0.000 0.765 1157 A CB 1.308 20.491 19.000 0.304 0.000 1.268 1157 A HN 1.441 nan 8.150 nan 0.000 0.438 1158 V N 2.086 122.058 119.914 0.096 0.000 2.481 1158 V HA 0.639 4.760 4.120 0.001 0.000 0.286 1158 V C 0.454 176.582 176.094 0.058 0.000 1.042 1158 V CA 0.298 62.631 62.300 0.056 0.000 0.928 1158 V CB 1.432 33.280 31.823 0.041 0.000 0.986 1158 V HN 1.173 nan 8.190 nan 0.000 0.462 1159 S N 2.696 118.421 115.700 0.043 0.000 2.569 1159 S HA 0.757 5.227 4.470 0.001 0.000 0.280 1159 S C -0.731 173.886 174.600 0.029 0.000 1.111 1159 S CA -0.716 57.510 58.200 0.042 0.000 0.887 1159 S CB 2.283 65.512 63.200 0.049 0.000 1.095 1159 S HN 0.589 nan 8.310 nan 0.000 0.476 1160 T N 2.275 116.845 114.554 0.027 0.000 2.841 1160 T HA 0.589 4.939 4.350 0.001 0.000 0.285 1160 T C -0.289 174.423 174.700 0.021 0.000 0.991 1160 T CA -0.864 61.248 62.100 0.020 0.000 0.966 1160 T CB 0.979 69.857 68.868 0.016 0.000 0.962 1160 T HN 0.806 nan 8.240 nan 0.000 0.438 1161 R N 1.772 122.284 120.500 0.019 0.000 3.525 1161 R HA -0.232 4.109 4.340 0.001 0.000 0.276 1161 R C 1.190 177.504 176.300 0.024 0.000 1.116 1161 R CA 0.657 56.768 56.100 0.018 0.000 0.745 1161 R CB -2.228 28.081 30.300 0.015 0.000 1.185 1161 R HN 1.329 nan 8.270 nan 0.000 0.454 1162 G N -1.488 107.329 108.800 0.029 0.000 2.179 1162 G HA2 -0.330 3.631 3.960 0.001 0.000 0.260 1162 G HA3 -0.330 3.631 3.960 0.001 0.000 0.260 1162 G C 0.155 175.083 174.900 0.046 0.000 0.977 1162 G CA 0.116 45.239 45.100 0.038 0.000 0.641 1162 G HN 0.271 nan 8.290 nan 0.000 0.533 1163 V N 1.601 121.540 119.914 0.040 0.000 2.350 1163 V HA 0.727 4.848 4.120 0.001 0.000 0.276 1163 V C 0.860 176.984 176.094 0.050 0.000 1.028 1163 V CA -0.360 61.965 62.300 0.042 0.000 0.860 1163 V CB 1.205 33.045 31.823 0.029 0.000 0.990 1163 V HN 1.038 nan 8.190 nan 0.000 0.453 1164 A N 4.786 127.646 122.820 0.066 0.000 2.450 1164 A HA 0.477 4.798 4.320 0.001 0.000 0.255 1164 A C 0.791 178.409 177.584 0.056 0.000 1.096 1164 A CA -0.018 52.064 52.037 0.075 0.000 0.778 1164 A CB 0.279 19.342 19.000 0.104 0.000 1.031 1164 A HN 0.950 nan 8.150 nan 0.000 0.494 1165 K N 0.757 121.189 120.400 0.053 0.000 2.511 1165 K HA 0.409 4.729 4.320 0.001 0.000 0.209 1165 K C 0.226 176.852 176.600 0.044 0.000 1.301 1165 K CA 0.864 57.174 56.287 0.039 0.000 0.967 1165 K CB 1.079 33.596 32.500 0.029 0.000 1.109 1165 K HN 0.780 nan 8.250 nan 0.000 0.561 1166 A N 1.010 123.869 122.820 0.064 0.000 2.454 1166 A HA 0.669 4.990 4.320 0.001 0.000 0.302 1166 A C -1.018 176.644 177.584 0.130 0.000 1.079 1166 A CA -0.735 51.349 52.037 0.079 0.000 0.731 1166 A CB 1.420 20.458 19.000 0.062 0.000 1.299 1166 A HN -0.030 nan 8.150 nan 0.000 0.413 1167 V N -0.921 119.097 119.914 0.173 0.000 2.769 1167 V HA 0.736 4.857 4.120 0.001 0.000 0.312 1167 V C -1.170 175.101 176.094 0.296 0.000 1.061 1167 V CA -0.901 61.583 62.300 0.306 0.000 0.931 1167 V CB 1.958 33.973 31.823 0.321 0.000 1.010 1167 V HN 0.725 nan 8.190 nan 0.000 0.433 1168 D N 3.388 123.956 120.400 0.280 0.000 2.192 1168 D HA 0.692 5.332 4.640 0.001 0.000 0.246 1168 D C -0.686 175.767 176.300 0.255 0.000 1.042 1168 D CA 0.261 54.338 54.000 0.128 0.000 0.847 1168 D CB 2.116 42.921 40.800 0.009 0.000 1.186 1168 D HN 0.696 nan 8.370 nan 0.000 0.461 1169 F N -0.958 119.041 119.950 0.082 0.000 2.643 1169 F HA 0.607 5.135 4.527 0.001 0.000 0.314 1169 F C -1.055 174.750 175.800 0.009 0.000 1.096 1169 F CA -1.310 56.736 58.000 0.076 0.000 0.953 1169 F CB 0.855 39.931 39.000 0.126 0.000 1.345 1169 F HN 0.067 nan 8.300 nan 0.000 0.468 1170 I N 3.907 124.597 120.570 0.199 0.000 2.297 1170 I HA 0.328 4.499 4.170 0.001 0.000 0.291 1170 I C -2.251 173.951 176.117 0.143 0.000 1.033 1170 I CA -2.050 59.276 61.300 0.044 0.000 1.253 1170 I CB 1.249 39.235 38.000 -0.023 0.000 1.396 1170 I HN 0.334 nan 8.210 nan 0.000 0.476 1171 P HA -0.005 nan 4.420 nan 0.000 0.274 1171 P C 0.906 178.202 177.300 -0.006 0.000 1.231 1171 P CA -0.159 63.037 63.100 0.160 0.000 0.790 1171 P CB 1.685 33.445 31.700 0.100 0.000 0.951 1172 V N 1.977 121.888 119.914 -0.004 0.000 2.380 1172 V HA -0.317 3.803 4.120 0.001 0.000 0.251 1172 V C 2.727 178.753 176.094 -0.114 0.000 1.063 1172 V CA 3.149 65.394 62.300 -0.093 0.000 1.055 1172 V CB -1.535 30.259 31.823 -0.049 0.000 0.657 1172 V HN 0.714 nan 8.190 nan 0.000 0.455 1173 E N -1.123 119.038 120.200 -0.065 0.000 2.160 1173 E HA -0.252 4.099 4.350 0.001 0.000 0.195 1173 E C 2.312 178.848 176.600 -0.108 0.000 0.991 1173 E CA 1.732 58.091 56.400 -0.070 0.000 0.810 1173 E CB -1.001 28.675 29.700 -0.040 0.000 0.742 1173 E HN 0.755 nan 8.360 nan 0.000 0.466 1174 S N -0.650 114.970 115.700 -0.133 0.000 2.414 1174 S HA 0.014 4.485 4.470 0.001 0.000 0.227 1174 S C 2.100 176.544 174.600 -0.261 0.000 1.022 1174 S CA 0.874 58.976 58.200 -0.164 0.000 0.958 1174 S CB -0.354 62.758 63.200 -0.147 0.000 0.797 1174 S HN 0.543 nan 8.310 nan 0.000 0.493 1175 L N 1.211 122.200 121.223 -0.390 0.000 2.056 1175 L HA 0.016 4.357 4.340 0.001 0.000 0.207 1175 L C 3.205 179.860 176.870 -0.358 0.000 1.078 1175 L CA 1.716 56.160 54.840 -0.660 0.000 0.749 1175 L CB -1.419 40.029 42.059 -1.018 0.000 0.901 1175 L HN 0.480 nan 8.230 nan 0.000 0.433 1176 E N 0.462 120.535 120.200 -0.211 0.000 2.085 1176 E HA -0.223 4.127 4.350 0.001 0.000 0.194 1176 E C 2.155 178.698 176.600 -0.095 0.000 0.994 1176 E CA 2.118 58.456 56.400 -0.103 0.000 0.801 1176 E CB -1.403 28.257 29.700 -0.067 0.000 0.743 1176 E HN 0.512 nan 8.360 nan 0.000 0.453 1177 T N 0.287 114.775 114.554 -0.109 0.000 2.821 1177 T HA -0.118 4.233 4.350 0.001 0.000 0.267 1177 T C 2.259 176.904 174.700 -0.092 0.000 1.046 1177 T CA 1.576 63.627 62.100 -0.083 0.000 1.139 1177 T CB -0.402 68.420 68.868 -0.077 0.000 0.871 1177 T HN 0.532 nan 8.240 nan 0.000 0.454 1178 T N 2.153 116.617 114.554 -0.150 0.000 2.788 1178 T HA 0.107 4.458 4.350 0.001 0.000 0.268 1178 T C 1.132 175.687 174.700 -0.241 0.000 1.044 1178 T CA 0.790 62.789 62.100 -0.167 0.000 1.139 1178 T CB -0.241 68.504 68.868 -0.205 0.000 0.867 1178 T HN 0.326 nan 8.240 nan 0.000 0.454 1179 M N 0.000 119.444 119.600 -0.260 0.000 2.572 1179 M HA 0.000 4.481 4.480 0.001 0.000 0.227 1179 M CA 0.000 55.194 55.300 -0.177 0.000 0.988 1179 M CB 0.000 32.579 32.600 -0.034 0.000 1.302 1179 M HN 0.000 nan 8.290 nan 0.000 0.411