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 1moj_1_D DATA FIRST_RESID 7 DATA SEQUENCE ARATAGEVEG SDALRMDADR AEQCVDALNA DLANVYVLYH QLKKHHWNVE DATA SEQUENCE GAEFRDLHLF LGEAAETAEE VADELAERVQ ALGGVPHASP ETLQAEASVD DATA SEQUENCE VEDEDVYDIR TSLANDMAIY GDIIEATREH TELAENLGDH ATAHMLREGL DATA SEQUENCE IELEDDAHHI EHYLEDDTLV TQGAL 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.584 177.584 0.000 0.000 1.274 7 A CA 0.000 52.038 52.037 0.001 0.000 0.836 7 A CB 0.000 19.001 19.000 0.002 0.000 0.831 8 R N 1.092 121.592 120.500 -0.000 0.000 2.115 8 R HA 0.354 4.694 4.340 -0.000 0.000 0.226 8 R C 0.630 176.928 176.300 -0.002 0.000 1.100 8 R CA 1.814 57.913 56.100 -0.001 0.000 0.980 8 R CB 0.094 30.393 30.300 -0.001 0.000 0.875 8 R HN 1.356 nan 8.270 nan 0.000 0.445 9 A N -0.597 122.221 122.820 -0.002 0.000 2.549 9 A HA 0.485 4.805 4.320 -0.000 0.000 0.297 9 A C -1.190 176.394 177.584 -0.001 0.000 1.061 9 A CA -0.636 51.399 52.037 -0.004 0.000 0.690 9 A CB 1.991 20.987 19.000 -0.007 0.000 1.287 9 A HN 0.100 nan 8.150 nan 0.000 0.402 10 T N 1.971 116.524 114.554 -0.001 0.000 2.794 10 T HA 0.598 4.948 4.350 -0.000 0.000 0.280 10 T C 0.533 175.235 174.700 0.003 0.000 0.987 10 T CA 0.412 62.514 62.100 0.002 0.000 0.993 10 T CB 1.265 70.134 68.868 0.003 0.000 0.939 10 T HN 1.422 nan 8.240 nan 0.000 0.449 11 A N 2.134 124.961 122.820 0.011 0.000 2.565 11 A HA 0.488 4.807 4.320 -0.000 0.000 0.237 11 A C 1.599 179.194 177.584 0.018 0.000 1.053 11 A CA 0.603 52.651 52.037 0.018 0.000 0.755 11 A CB -0.791 18.233 19.000 0.041 0.000 0.980 11 A HN 1.583 nan 8.150 nan 0.000 0.506 12 G N 1.558 110.364 108.800 0.010 0.000 2.234 12 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.235 12 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.235 12 G C 0.075 174.972 174.900 -0.004 0.000 0.997 12 G CA 0.391 45.497 45.100 0.011 0.000 0.623 12 G HN 0.867 nan 8.290 nan 0.000 0.514 13 E N -0.107 120.088 120.200 -0.009 0.000 2.313 13 E HA 0.557 4.907 4.350 -0.000 0.000 0.272 13 E C -0.539 176.048 176.600 -0.021 0.000 1.038 13 E CA -0.444 55.948 56.400 -0.012 0.000 0.863 13 E CB 2.332 32.027 29.700 -0.008 0.000 1.060 13 E HN 0.152 nan 8.360 nan 0.000 0.402 14 V N 2.855 122.757 119.914 -0.021 0.000 2.488 14 V HA 0.050 4.170 4.120 -0.000 0.000 0.293 14 V C 0.440 176.522 176.094 -0.020 0.000 1.027 14 V CA -0.534 61.751 62.300 -0.026 0.000 0.862 14 V CB 1.232 33.037 31.823 -0.031 0.000 1.008 14 V HN 0.832 nan 8.190 nan 0.000 0.428 15 E N 3.851 124.040 120.200 -0.019 0.000 2.474 15 E HA 0.468 4.818 4.350 -0.000 0.000 0.195 15 E C 0.972 177.562 176.600 -0.016 0.000 1.039 15 E CA 0.440 56.831 56.400 -0.015 0.000 0.881 15 E CB 0.831 30.523 29.700 -0.013 0.000 0.970 15 E HN 0.986 nan 8.360 nan 0.000 0.486 16 G N 1.007 109.795 108.800 -0.019 0.000 2.645 16 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.239 16 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.239 16 G C -0.412 174.478 174.900 -0.016 0.000 1.331 16 G CA -0.120 44.968 45.100 -0.019 0.000 0.890 16 G HN 0.534 nan 8.290 nan 0.000 0.572 17 S N -1.065 114.627 115.700 -0.014 0.000 2.603 17 S HA 0.554 5.024 4.470 -0.000 0.000 0.274 17 S C 0.353 174.947 174.600 -0.009 0.000 1.168 17 S CA 0.518 58.711 58.200 -0.012 0.000 0.963 17 S CB 1.666 64.859 63.200 -0.012 0.000 1.078 17 S HN 0.560 nan 8.310 nan 0.000 0.477 18 D N 3.387 123.783 120.400 -0.008 0.000 2.123 18 D HA 0.041 4.681 4.640 -0.000 0.000 0.200 18 D C 2.169 178.466 176.300 -0.005 0.000 0.976 18 D CA 1.426 55.423 54.000 -0.006 0.000 0.831 18 D CB -0.270 40.527 40.800 -0.005 0.000 0.974 18 D HN 0.655 nan 8.370 nan 0.000 0.469 19 A N 1.053 123.869 122.820 -0.005 0.000 1.883 19 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 19 A C 2.159 179.741 177.584 -0.004 0.000 1.186 19 A CA 1.045 53.079 52.037 -0.004 0.000 0.624 19 A CB -0.740 18.258 19.000 -0.005 0.000 0.822 19 A HN 0.242 nan 8.150 nan 0.000 0.444 20 L N -1.275 119.945 121.223 -0.005 0.000 2.611 20 L HA 0.105 4.445 4.340 -0.000 0.000 0.229 20 L C 0.131 176.998 176.870 -0.004 0.000 1.137 20 L CA -0.403 54.434 54.840 -0.004 0.000 0.901 20 L CB -0.142 41.914 42.059 -0.006 0.000 1.098 20 L HN 0.257 nan 8.230 nan 0.000 0.456 21 R N 0.586 121.084 120.500 -0.004 0.000 3.251 21 R HA -0.199 4.141 4.340 -0.000 0.000 0.249 21 R C -0.362 175.934 176.300 -0.007 0.000 0.949 21 R CA 0.678 56.775 56.100 -0.004 0.000 0.645 21 R CB -1.764 28.536 30.300 -0.001 0.000 1.065 21 R HN 0.293 nan 8.270 nan 0.000 0.452 22 M N 1.871 121.465 119.600 -0.010 0.000 2.046 22 M HA 0.201 4.681 4.480 -0.000 0.000 0.309 22 M C -0.429 175.861 176.300 -0.015 0.000 0.935 22 M CA -0.977 54.314 55.300 -0.015 0.000 0.915 22 M CB 1.087 33.676 32.600 -0.019 0.000 1.474 22 M HN 0.195 nan 8.290 nan 0.000 0.415 23 D N 3.265 123.656 120.400 -0.015 0.000 2.382 23 D HA 0.144 4.784 4.640 -0.000 0.000 0.240 23 D C 0.673 176.963 176.300 -0.017 0.000 1.146 23 D CA 0.171 54.163 54.000 -0.014 0.000 0.897 23 D CB 0.867 41.660 40.800 -0.012 0.000 1.197 23 D HN 0.694 nan 8.370 nan 0.000 0.432 24 A N 1.660 124.471 122.820 -0.015 0.000 1.978 24 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 24 A C 1.854 179.427 177.584 -0.018 0.000 1.170 24 A CA 1.950 53.977 52.037 -0.017 0.000 0.636 24 A CB -0.591 18.401 19.000 -0.014 0.000 0.810 24 A HN 0.815 nan 8.150 nan 0.000 0.448 25 D N -0.321 120.070 120.400 -0.016 0.000 2.084 25 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 25 D C 2.148 178.436 176.300 -0.021 0.000 0.990 25 D CA 1.686 55.677 54.000 -0.016 0.000 0.826 25 D CB -0.297 40.495 40.800 -0.013 0.000 0.971 25 D HN 0.497 nan 8.370 nan 0.000 0.453 26 R N 0.192 120.678 120.500 -0.023 0.000 2.075 26 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 26 R C 2.478 178.757 176.300 -0.035 0.000 1.126 26 R CA 1.421 57.504 56.100 -0.029 0.000 0.963 26 R CB -0.341 29.941 30.300 -0.029 0.000 0.858 26 R HN 0.189 nan 8.270 nan 0.000 0.435 27 A N 0.940 123.740 122.820 -0.033 0.000 1.908 27 A HA -0.247 4.072 4.320 -0.000 0.000 0.218 27 A C 2.019 179.577 177.584 -0.043 0.000 1.181 27 A CA 1.805 53.820 52.037 -0.037 0.000 0.627 27 A CB -0.663 18.318 19.000 -0.031 0.000 0.818 27 A HN 0.614 nan 8.150 nan 0.000 0.445 28 E N -0.359 119.819 120.200 -0.037 0.000 2.153 28 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 28 E C 2.105 178.677 176.600 -0.047 0.000 0.988 28 E CA 1.309 57.686 56.400 -0.039 0.000 0.811 28 E CB -0.149 29.534 29.700 -0.028 0.000 0.746 28 E HN 0.782 nan 8.360 nan 0.000 0.466 29 Q N -0.455 119.318 119.800 -0.045 0.000 2.079 29 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 29 Q C 2.430 178.382 176.000 -0.081 0.000 0.974 29 Q CA 1.582 57.354 55.803 -0.052 0.000 0.840 29 Q CB -0.048 28.666 28.738 -0.040 0.000 0.898 29 Q HN 0.430 nan 8.270 nan 0.000 0.430 30 C N -0.267 118.985 119.300 -0.080 0.000 2.466 30 C HA -0.048 4.412 4.460 -0.000 0.000 0.278 30 C C 2.702 177.621 174.990 -0.119 0.000 1.288 30 C CA 0.184 59.140 59.018 -0.102 0.000 1.722 30 C CB -0.690 27.005 27.740 -0.075 0.000 2.017 30 C HN 0.319 nan 8.230 nan 0.000 0.488 31 V N 1.502 121.360 119.914 -0.092 0.000 2.332 31 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 31 V C 2.104 178.134 176.094 -0.107 0.000 1.055 31 V CA 2.257 64.501 62.300 -0.094 0.000 1.038 31 V CB -0.690 31.087 31.823 -0.077 0.000 0.651 31 V HN 0.497 nan 8.190 nan 0.000 0.450 32 D N 0.314 120.657 120.400 -0.095 0.000 2.117 32 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 32 D C 2.215 178.443 176.300 -0.121 0.000 0.987 32 D CA 1.666 55.621 54.000 -0.075 0.000 0.829 32 D CB -0.307 40.463 40.800 -0.050 0.000 0.961 32 D HN 0.459 nan 8.370 nan 0.000 0.460 33 A N 0.646 123.317 122.820 -0.248 0.000 1.873 33 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 33 A C 2.415 179.767 177.584 -0.386 0.000 1.186 33 A CA 0.815 52.500 52.037 -0.587 0.000 0.616 33 A CB -0.790 17.639 19.000 -0.951 0.000 0.823 33 A HN 0.183 nan 8.150 nan 0.000 0.442 34 L N -0.296 120.791 121.223 -0.226 0.000 2.046 34 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 34 L C 2.376 179.219 176.870 -0.044 0.000 1.077 34 L CA 1.304 56.084 54.840 -0.099 0.000 0.747 34 L CB -0.625 41.382 42.059 -0.086 0.000 0.896 34 L HN 0.361 nan 8.230 nan 0.000 0.432 35 N N 0.032 118.692 118.700 -0.067 0.000 2.244 35 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 35 N C 1.807 177.408 175.510 0.152 0.000 1.016 35 N CA 1.362 54.380 53.050 -0.053 0.000 0.866 35 N CB -0.043 38.283 38.487 -0.269 0.000 0.980 35 N HN 0.316 nan 8.380 nan 0.000 0.430 36 A N 0.832 123.725 122.820 0.121 0.000 1.898 36 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 36 A C 1.844 179.519 177.584 0.152 0.000 1.181 36 A CA 1.485 53.617 52.037 0.158 0.000 0.620 36 A CB -0.401 18.687 19.000 0.147 0.000 0.819 36 A HN 0.125 nan 8.150 nan 0.000 0.442 37 D N -0.379 120.110 120.400 0.149 0.000 2.117 37 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 37 D C 1.857 178.206 176.300 0.082 0.000 0.987 37 D CA 1.248 55.324 54.000 0.127 0.000 0.829 37 D CB -0.447 40.441 40.800 0.148 0.000 0.961 37 D HN 0.324 nan 8.370 nan 0.000 0.460 38 L N 1.089 122.363 121.223 0.084 0.000 2.012 38 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 38 L C 2.088 179.053 176.870 0.159 0.000 1.073 38 L CA 2.096 56.986 54.840 0.085 0.000 0.748 38 L CB -1.004 41.114 42.059 0.099 0.000 0.891 38 L HN -0.004 nan 8.230 nan 0.000 0.431 39 A N -0.361 122.582 122.820 0.205 0.000 1.883 39 A HA -0.240 4.079 4.320 -0.000 0.000 0.217 39 A C 2.116 179.780 177.584 0.133 0.000 1.186 39 A CA 1.995 54.139 52.037 0.178 0.000 0.624 39 A CB -0.856 18.207 19.000 0.106 0.000 0.822 39 A HN 0.644 nan 8.150 nan 0.000 0.444 40 N N 0.034 118.789 118.700 0.091 0.000 2.142 40 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 40 N C 1.698 177.226 175.510 0.029 0.000 1.023 40 N CA 1.558 54.638 53.050 0.051 0.000 0.852 40 N CB -0.537 37.969 38.487 0.031 0.000 0.998 40 N HN 0.266 nan 8.380 nan 0.000 0.424 41 V N 0.298 120.220 119.914 0.015 0.000 2.427 41 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 41 V C 1.805 177.892 176.094 -0.011 0.000 1.051 41 V CA 1.262 63.530 62.300 -0.054 0.000 1.048 41 V CB -0.643 31.111 31.823 -0.114 0.000 0.666 41 V HN 0.324 nan 8.190 nan 0.000 0.456 42 Y N 0.185 120.511 120.300 0.043 0.000 2.373 42 Y HA -0.156 4.393 4.550 -0.000 0.000 0.293 42 Y C 2.422 178.446 175.900 0.206 0.000 1.129 42 Y CA 1.156 59.323 58.100 0.112 0.000 1.226 42 Y CB 0.269 38.794 38.460 0.109 0.000 1.000 42 Y HN 0.279 nan 8.280 nan 0.000 0.549 43 V N -1.838 118.246 119.914 0.284 0.000 2.453 43 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 43 V C 2.047 178.201 176.094 0.100 0.000 1.048 43 V CA 1.408 63.822 62.300 0.190 0.000 1.049 43 V CB -0.993 30.883 31.823 0.088 0.000 0.672 43 V HN 0.363 nan 8.190 nan 0.000 0.457 44 L N 0.365 121.602 121.223 0.024 0.000 2.017 44 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 44 L C 2.496 179.305 176.870 -0.102 0.000 1.073 44 L CA 2.724 57.497 54.840 -0.111 0.000 0.745 44 L CB -1.255 40.661 42.059 -0.237 0.000 0.894 44 L HN 0.530 nan 8.230 nan 0.000 0.432 45 Y N -0.262 119.954 120.300 -0.141 0.000 2.081 45 Y HA -0.337 4.213 4.550 -0.000 0.000 0.280 45 Y C 2.692 178.445 175.900 -0.245 0.000 1.163 45 Y CA 2.420 60.404 58.100 -0.193 0.000 1.135 45 Y CB -0.711 37.662 38.460 -0.146 0.000 0.970 45 Y HN 0.386 nan 8.280 nan 0.000 0.498 46 H N -0.243 118.696 119.070 -0.219 0.000 2.423 46 H HA -0.147 4.408 4.556 -0.000 0.000 0.297 46 H C 2.171 177.243 175.328 -0.427 0.000 1.075 46 H CA 1.839 57.663 56.048 -0.374 0.000 1.342 46 H CB -0.157 29.567 29.762 -0.062 0.000 1.395 46 H HN 0.561 nan 8.280 nan 0.000 0.530 47 Q N 0.427 120.084 119.800 -0.239 0.000 2.187 47 Q HA -0.021 4.319 4.340 -0.000 0.000 0.199 47 Q C 2.363 177.995 176.000 -0.614 0.000 0.957 47 Q CA 0.351 55.918 55.803 -0.393 0.000 0.857 47 Q CB 0.176 28.749 28.738 -0.275 0.000 0.929 47 Q HN 0.357 nan 8.270 nan 0.000 0.453 48 L N 0.387 121.338 121.223 -0.453 0.000 2.093 48 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 48 L C 2.398 178.966 176.870 -0.504 0.000 1.085 48 L CA 1.041 55.658 54.840 -0.372 0.000 0.755 48 L CB -0.334 41.552 42.059 -0.288 0.000 0.904 48 L HN 0.148 nan 8.230 nan 0.000 0.435 49 K N 0.294 120.226 120.400 -0.779 0.000 2.057 49 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 49 K C 2.070 177.854 176.600 -1.359 0.000 1.049 49 K CA 1.196 56.784 56.287 -1.165 0.000 0.931 49 K CB -0.199 31.442 32.500 -1.432 0.000 0.714 49 K HN 0.249 nan 8.250 nan 0.000 0.440 50 K N 0.983 120.826 120.400 -0.929 0.000 2.032 50 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 50 K C 1.890 178.465 176.600 -0.041 0.000 1.048 50 K CA 1.706 57.769 56.287 -0.372 0.000 0.927 50 K CB -0.173 32.207 32.500 -0.199 0.000 0.712 50 K HN 0.374 nan 8.250 nan 0.000 0.441 51 H N -2.066 116.952 119.070 -0.087 0.000 2.423 51 H HA -0.128 4.428 4.556 -0.000 0.000 0.297 51 H C 2.185 177.556 175.328 0.071 0.000 1.075 51 H CA 1.084 57.145 56.048 0.023 0.000 1.342 51 H CB -0.057 29.723 29.762 0.030 0.000 1.395 51 H HN 0.458 nan 8.280 nan 0.000 0.530 52 H N 0.199 119.250 119.070 -0.032 0.000 2.321 52 H HA -0.182 4.374 4.556 -0.000 0.000 0.300 52 H C 1.707 177.205 175.328 0.284 0.000 1.087 52 H CA 1.814 57.851 56.048 -0.019 0.000 1.319 52 H CB -0.235 29.331 29.762 -0.327 0.000 1.379 52 H HN 0.326 nan 8.280 nan 0.000 0.501 53 W N 0.885 122.259 121.300 0.123 0.000 2.381 53 W HA -0.054 4.605 4.660 -0.000 0.000 0.301 53 W C 1.761 178.313 176.519 0.056 0.000 1.205 53 W CA 0.832 58.212 57.345 0.058 0.000 1.285 53 W CB -0.841 28.666 29.460 0.079 0.000 1.133 53 W HN 0.369 nan 8.180 nan 0.000 0.521 54 N N 0.003 118.898 118.700 0.324 0.000 2.424 54 N HA -0.047 4.693 4.740 -0.000 0.000 0.178 54 N C 0.611 176.201 175.510 0.133 0.000 1.060 54 N CA 0.193 53.358 53.050 0.193 0.000 0.901 54 N CB 0.047 38.647 38.487 0.188 0.000 0.979 54 N HN -0.172 nan 8.380 nan 0.000 0.451 55 V N 2.037 122.061 119.914 0.184 0.000 2.644 55 V HA -0.092 4.028 4.120 -0.000 0.000 0.305 55 V C 0.033 176.219 176.094 0.154 0.000 1.053 55 V CA 0.677 63.080 62.300 0.171 0.000 1.186 55 V CB 0.075 32.029 31.823 0.219 0.000 0.895 55 V HN 0.190 nan 8.190 nan 0.000 0.490 56 E N 4.107 124.354 120.200 0.077 0.000 2.433 56 E HA 0.816 5.165 4.350 -0.000 0.000 0.273 56 E C -0.033 176.601 176.600 0.058 0.000 0.950 56 E CA -0.335 56.040 56.400 -0.042 0.000 0.796 56 E CB 2.121 31.752 29.700 -0.115 0.000 1.330 56 E HN 1.203 nan 8.360 nan 0.000 0.455 57 G N -0.201 108.615 108.800 0.026 0.000 2.434 57 G HA2 0.027 3.987 3.960 -0.000 0.000 0.671 57 G HA3 0.027 3.987 3.960 -0.000 0.000 0.671 57 G C 0.424 175.416 174.900 0.153 0.000 1.280 57 G CA -0.207 44.937 45.100 0.074 0.000 0.975 57 G HN 0.630 nan 8.290 nan 0.000 0.510 58 A N -0.523 122.360 122.820 0.104 0.000 1.986 58 A HA 0.102 4.422 4.320 -0.000 0.000 0.220 58 A C 1.679 179.332 177.584 0.114 0.000 1.171 58 A CA 2.576 54.674 52.037 0.101 0.000 0.640 58 A CB -0.357 18.680 19.000 0.062 0.000 0.811 58 A HN 1.470 nan 8.150 nan 0.000 0.451 59 E N -0.625 119.641 120.200 0.110 0.000 2.789 59 E HA 0.100 4.450 4.350 -0.000 0.000 0.208 59 E C 0.811 177.434 176.600 0.038 0.000 0.988 59 E CA -0.221 56.218 56.400 0.065 0.000 1.092 59 E CB -1.078 28.655 29.700 0.054 0.000 1.066 59 E HN 0.599 nan 8.360 nan 0.000 0.465 60 F N 1.895 121.850 119.950 0.010 0.000 2.134 60 F HA 0.012 4.538 4.527 -0.000 0.000 0.299 60 F C 2.221 178.055 175.800 0.057 0.000 1.097 60 F CA 1.200 59.208 58.000 0.014 0.000 1.264 60 F CB -0.152 38.842 39.000 -0.011 0.000 1.001 60 F HN -0.033 nan 8.300 nan 0.000 0.479 61 R N 0.484 120.097 120.500 -1.479 0.000 2.081 61 R HA -0.202 4.137 4.340 -0.000 0.000 0.235 61 R C 1.993 178.088 176.300 -0.341 0.000 1.131 61 R CA 2.108 57.511 56.100 -1.160 0.000 0.960 61 R CB -0.816 28.989 30.300 -0.826 0.000 0.856 61 R HN 0.513 nan 8.270 nan 0.000 0.436 62 D N -0.044 120.246 120.400 -0.184 0.000 2.144 62 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 62 D C 2.029 178.374 176.300 0.074 0.000 0.978 62 D CA 0.969 54.967 54.000 -0.003 0.000 0.833 62 D CB 0.041 40.876 40.800 0.057 0.000 0.961 62 D HN 0.232 nan 8.370 nan 0.000 0.470 63 L N -0.697 120.525 121.223 -0.001 0.000 2.093 63 L HA -0.098 4.241 4.340 -0.000 0.000 0.208 63 L C 2.373 179.338 176.870 0.159 0.000 1.085 63 L CA 1.102 55.947 54.840 0.008 0.000 0.755 63 L CB -0.527 41.465 42.059 -0.111 0.000 0.904 63 L HN 0.233 nan 8.230 nan 0.000 0.435 64 H N 0.373 119.451 119.070 0.015 0.000 2.319 64 H HA -0.181 4.375 4.556 -0.000 0.000 0.299 64 H C 2.121 177.574 175.328 0.209 0.000 1.092 64 H CA 1.894 57.988 56.048 0.076 0.000 1.302 64 H CB -0.072 29.653 29.762 -0.062 0.000 1.373 64 H HN 0.148 nan 8.280 nan 0.000 0.497 65 L N -1.047 120.239 121.223 0.106 0.000 2.056 65 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 65 L C 2.335 179.232 176.870 0.044 0.000 1.078 65 L CA 1.265 56.136 54.840 0.052 0.000 0.749 65 L CB -0.594 41.509 42.059 0.074 0.000 0.901 65 L HN 0.280 nan 8.230 nan 0.000 0.433 66 F N 0.997 120.944 119.950 -0.004 0.000 2.075 66 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 66 F C 2.195 177.975 175.800 -0.033 0.000 1.113 66 F CA 1.565 59.556 58.000 -0.015 0.000 1.218 66 F CB -0.345 38.701 39.000 0.076 0.000 0.984 66 F HN -0.145 nan 8.300 nan 0.000 0.472 67 L N 0.089 121.198 121.223 -0.191 0.000 2.083 67 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 67 L C 2.803 179.426 176.870 -0.413 0.000 1.083 67 L CA 1.281 55.948 54.840 -0.289 0.000 0.752 67 L CB -1.565 40.513 42.059 0.030 0.000 0.899 67 L HN 0.389 nan 8.230 nan 0.000 0.433 68 G N -0.395 108.152 108.800 -0.421 0.000 2.418 68 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.217 68 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.217 68 G C 1.437 176.072 174.900 -0.442 0.000 1.158 68 G CA 0.545 45.185 45.100 -0.767 0.000 0.771 68 G HN 0.409 nan 8.290 nan 0.000 0.545 69 E N 0.445 120.441 120.200 -0.339 0.000 2.106 69 E HA 0.042 4.392 4.350 -0.000 0.000 0.192 69 E C 2.898 179.319 176.600 -0.297 0.000 0.984 69 E CA 0.627 56.870 56.400 -0.263 0.000 0.806 69 E CB -0.131 29.447 29.700 -0.204 0.000 0.750 69 E HN 0.409 nan 8.360 nan 0.000 0.458 70 A N 1.517 124.057 122.820 -0.467 0.000 1.902 70 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 70 A C 2.385 179.852 177.584 -0.195 0.000 1.181 70 A CA 1.608 53.425 52.037 -0.367 0.000 0.623 70 A CB -0.600 18.073 19.000 -0.545 0.000 0.818 70 A HN 0.289 nan 8.150 nan 0.000 0.443 71 A N -0.304 122.362 122.820 -0.256 0.000 1.877 71 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 71 A C 2.035 179.618 177.584 -0.002 0.000 1.186 71 A CA 1.831 53.768 52.037 -0.166 0.000 0.620 71 A CB -0.601 18.169 19.000 -0.384 0.000 0.822 71 A HN 0.668 nan 8.150 nan 0.000 0.443 72 E N -0.818 119.329 120.200 -0.088 0.000 2.085 72 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 72 E C 1.956 178.515 176.600 -0.069 0.000 0.994 72 E CA 1.722 58.089 56.400 -0.056 0.000 0.801 72 E CB -0.179 29.470 29.700 -0.085 0.000 0.743 72 E HN 0.543 nan 8.360 nan 0.000 0.453 73 T N 0.335 114.844 114.554 -0.075 0.000 2.746 73 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 73 T C 1.811 176.470 174.700 -0.067 0.000 1.039 73 T CA 1.293 63.358 62.100 -0.059 0.000 1.142 73 T CB -0.297 68.550 68.868 -0.036 0.000 0.866 73 T HN 0.357 nan 8.240 nan 0.000 0.444 74 A N 1.288 124.075 122.820 -0.054 0.000 1.933 74 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 74 A C 2.261 179.712 177.584 -0.222 0.000 1.175 74 A CA 1.530 53.514 52.037 -0.089 0.000 0.628 74 A CB -0.490 18.484 19.000 -0.043 0.000 0.814 74 A HN 0.467 nan 8.150 nan 0.000 0.444 75 E N -0.129 119.928 120.200 -0.239 0.000 2.106 75 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 75 E C 1.864 178.248 176.600 -0.360 0.000 0.984 75 E CA 1.257 57.356 56.400 -0.502 0.000 0.806 75 E CB -0.093 29.317 29.700 -0.484 0.000 0.750 75 E HN 0.769 nan 8.360 nan 0.000 0.458 76 E N -0.168 119.905 120.200 -0.211 0.000 2.107 76 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 76 E C 2.201 178.710 176.600 -0.152 0.000 0.982 76 E CA 0.812 57.121 56.400 -0.151 0.000 0.809 76 E CB 0.205 29.848 29.700 -0.096 0.000 0.756 76 E HN 0.092 nan 8.360 nan 0.000 0.459 77 V N 1.476 121.296 119.914 -0.156 0.000 2.358 77 V HA -0.259 3.860 4.120 -0.000 0.000 0.246 77 V C 2.345 178.333 176.094 -0.176 0.000 1.047 77 V CA 1.832 64.054 62.300 -0.130 0.000 1.035 77 V CB -0.644 31.120 31.823 -0.098 0.000 0.658 77 V HN 0.298 nan 8.190 nan 0.000 0.452 78 A N 0.034 122.670 122.820 -0.307 0.000 1.902 78 A HA -0.311 4.009 4.320 -0.000 0.000 0.217 78 A C 2.037 179.467 177.584 -0.257 0.000 1.181 78 A CA 2.250 54.048 52.037 -0.397 0.000 0.623 78 A CB -0.724 17.689 19.000 -0.980 0.000 0.818 78 A HN 0.601 nan 8.150 nan 0.000 0.443 79 D N -0.756 119.502 120.400 -0.236 0.000 2.117 79 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 79 D C 1.958 178.210 176.300 -0.080 0.000 0.987 79 D CA 1.426 55.353 54.000 -0.121 0.000 0.829 79 D CB -0.008 40.727 40.800 -0.109 0.000 0.961 79 D HN 0.401 nan 8.370 nan 0.000 0.460 80 E N -0.204 119.945 120.200 -0.085 0.000 2.031 80 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 80 E C 2.222 178.794 176.600 -0.047 0.000 0.994 80 E CA 0.483 56.851 56.400 -0.054 0.000 0.800 80 E CB -0.359 29.311 29.700 -0.051 0.000 0.752 80 E HN 0.292 nan 8.360 nan 0.000 0.447 81 L N 0.982 122.170 121.223 -0.058 0.000 1.989 81 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 81 L C 2.432 179.278 176.870 -0.040 0.000 1.071 81 L CA 1.983 56.796 54.840 -0.044 0.000 0.749 81 L CB -1.454 40.578 42.059 -0.046 0.000 0.890 81 L HN 0.053 nan 8.230 nan 0.000 0.431 82 A N -1.038 121.760 122.820 -0.037 0.000 1.908 82 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 82 A C 2.213 179.783 177.584 -0.024 0.000 1.181 82 A CA 1.793 53.818 52.037 -0.020 0.000 0.627 82 A CB -0.526 18.483 19.000 0.015 0.000 0.818 82 A HN 0.540 nan 8.150 nan 0.000 0.445 83 E N -1.227 118.959 120.200 -0.024 0.000 2.150 83 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 83 E C 2.270 178.856 176.600 -0.022 0.000 0.985 83 E CA 0.978 57.365 56.400 -0.020 0.000 0.814 83 E CB -0.081 29.608 29.700 -0.018 0.000 0.752 83 E HN 0.419 nan 8.360 nan 0.000 0.466 84 R N 0.874 121.359 120.500 -0.026 0.000 2.090 84 R HA -0.076 4.264 4.340 -0.000 0.000 0.228 84 R C 2.043 178.322 176.300 -0.034 0.000 1.110 84 R CA 0.828 56.913 56.100 -0.025 0.000 0.973 84 R CB -0.643 29.643 30.300 -0.023 0.000 0.869 84 R HN 0.003 nan 8.270 nan 0.000 0.440 85 V N 0.852 120.740 119.914 -0.044 0.000 2.295 85 V HA -0.243 3.876 4.120 -0.000 0.000 0.246 85 V C 2.465 178.530 176.094 -0.048 0.000 1.049 85 V CA 2.054 64.319 62.300 -0.058 0.000 1.024 85 V CB -0.555 31.220 31.823 -0.080 0.000 0.648 85 V HN 0.417 nan 8.190 nan 0.000 0.447 86 Q N -0.104 119.673 119.800 -0.039 0.000 2.124 86 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 86 Q C 2.298 178.284 176.000 -0.025 0.000 0.977 86 Q CA 2.053 57.838 55.803 -0.030 0.000 0.850 86 Q CB -0.365 28.360 28.738 -0.022 0.000 0.901 86 Q HN 0.625 nan 8.270 nan 0.000 0.429 87 A N 0.487 123.294 122.820 -0.022 0.000 1.972 87 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 87 A C 1.939 179.511 177.584 -0.020 0.000 1.169 87 A CA 0.911 52.937 52.037 -0.018 0.000 0.635 87 A CB -0.500 18.491 19.000 -0.015 0.000 0.810 87 A HN 0.398 nan 8.150 nan 0.000 0.446 88 L N -0.770 120.437 121.223 -0.026 0.000 2.660 88 L HA 0.216 4.556 4.340 -0.000 0.000 0.238 88 L C 1.492 178.345 176.870 -0.029 0.000 1.161 88 L CA 0.407 55.230 54.840 -0.029 0.000 0.937 88 L CB -0.431 41.607 42.059 -0.036 0.000 1.122 88 L HN 0.570 nan 8.230 nan 0.000 0.435 89 G N -0.151 108.634 108.800 -0.026 0.000 2.143 89 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.248 89 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.248 89 G C 0.436 175.318 174.900 -0.030 0.000 0.991 89 G CA -0.045 45.040 45.100 -0.024 0.000 0.689 89 G HN 0.542 nan 8.290 nan 0.000 0.522 90 G N -1.703 107.073 108.800 -0.039 0.000 2.613 90 G HA2 0.696 4.656 3.960 -0.000 0.000 0.303 90 G HA3 0.696 4.656 3.960 -0.000 0.000 0.303 90 G C -0.574 174.294 174.900 -0.054 0.000 1.312 90 G CA -0.174 44.896 45.100 -0.051 0.000 1.036 90 G HN 0.920 nan 8.290 nan 0.000 0.513 91 V N 2.603 122.475 119.914 -0.070 0.000 2.326 91 V HA 0.338 4.458 4.120 -0.000 0.000 0.281 91 V C -1.946 174.074 176.094 -0.123 0.000 1.015 91 V CA -1.285 60.975 62.300 -0.067 0.000 0.823 91 V CB 1.554 33.354 31.823 -0.039 0.000 1.009 91 V HN 0.631 nan 8.190 nan 0.000 0.436 92 P HA 0.147 nan 4.420 nan 0.000 0.271 92 P C -0.411 176.840 177.300 -0.081 0.000 1.216 92 P CA -0.236 62.785 63.100 -0.132 0.000 0.776 92 P CB 0.493 32.166 31.700 -0.045 0.000 0.881 93 H N 1.626 120.716 119.070 0.034 0.000 3.034 93 H HA 0.119 4.675 4.556 -0.000 0.000 0.324 93 H C 1.132 176.480 175.328 0.034 0.000 1.015 93 H CA 0.472 56.539 56.048 0.032 0.000 1.429 93 H CB 0.531 30.318 29.762 0.042 0.000 1.429 93 H HN 0.547 nan 8.280 nan 0.000 0.585 94 A N 3.297 126.194 122.820 0.129 0.000 2.016 94 A HA 0.062 4.382 4.320 -0.000 0.000 0.202 94 A C 1.041 178.621 177.584 -0.006 0.000 1.632 94 A CA 0.430 52.497 52.037 0.050 0.000 0.891 94 A CB -0.415 18.604 19.000 0.032 0.000 1.103 94 A HN 0.641 nan 8.150 nan 0.000 0.547 95 S N 0.714 116.413 115.700 -0.001 0.000 2.568 95 S HA 0.238 4.708 4.470 -0.000 0.000 0.282 95 S C -1.720 172.846 174.600 -0.056 0.000 1.338 95 S CA -0.315 57.867 58.200 -0.031 0.000 1.045 95 S CB 0.717 63.905 63.200 -0.019 0.000 0.873 95 S HN 0.101 nan 8.310 nan 0.000 0.516 96 P HA -0.156 nan 4.420 nan 0.000 0.216 96 P C 1.500 178.749 177.300 -0.085 0.000 1.153 96 P CA 1.480 64.512 63.100 -0.114 0.000 0.858 96 P CB 0.038 31.658 31.700 -0.133 0.000 0.789 97 E N -1.002 119.159 120.200 -0.065 0.000 2.077 97 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 97 E C 1.534 178.101 176.600 -0.056 0.000 0.989 97 E CA 1.704 58.072 56.400 -0.053 0.000 0.800 97 E CB -0.419 29.257 29.700 -0.040 0.000 0.746 97 E HN 0.130 nan 8.360 nan 0.000 0.452 98 T N 1.384 115.906 114.554 -0.053 0.000 2.777 98 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 98 T C 1.926 176.551 174.700 -0.126 0.000 1.040 98 T CA 1.076 63.128 62.100 -0.080 0.000 1.141 98 T CB -0.182 68.668 68.868 -0.031 0.000 0.868 98 T HN 0.131 nan 8.240 nan 0.000 0.444 99 L N 0.743 121.930 121.223 -0.060 0.000 1.989 99 L HA -0.186 4.153 4.340 -0.000 0.000 0.211 99 L C 2.914 179.766 176.870 -0.031 0.000 1.071 99 L CA 1.619 56.448 54.840 -0.018 0.000 0.749 99 L CB -0.526 41.555 42.059 0.038 0.000 0.890 99 L HN 0.287 nan 8.230 nan 0.000 0.431 100 Q N -0.357 119.423 119.800 -0.033 0.000 2.079 100 Q HA -0.203 4.137 4.340 -0.000 0.000 0.200 100 Q C 2.273 178.249 176.000 -0.041 0.000 0.974 100 Q CA 1.617 57.405 55.803 -0.025 0.000 0.840 100 Q CB -0.082 28.637 28.738 -0.031 0.000 0.898 100 Q HN 0.513 nan 8.270 nan 0.000 0.430 101 A N 0.760 123.542 122.820 -0.063 0.000 1.933 101 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 101 A C 1.790 179.321 177.584 -0.088 0.000 1.175 101 A CA 1.539 53.536 52.037 -0.067 0.000 0.628 101 A CB -0.391 18.566 19.000 -0.071 0.000 0.814 101 A HN 0.378 nan 8.150 nan 0.000 0.444 102 E N 0.022 120.130 120.200 -0.154 0.000 2.435 102 E HA 0.170 4.519 4.350 -0.000 0.000 0.195 102 E C 0.886 177.443 176.600 -0.073 0.000 1.029 102 E CA 0.595 56.882 56.400 -0.189 0.000 0.865 102 E CB -0.372 29.010 29.700 -0.530 0.000 0.833 102 E HN 0.556 nan 8.360 nan 0.000 0.510 103 A N 1.385 124.183 122.820 -0.037 0.000 2.388 103 A HA 0.195 4.514 4.320 -0.000 0.000 0.257 103 A C 1.262 178.850 177.584 0.007 0.000 1.095 103 A CA 0.220 52.262 52.037 0.008 0.000 0.791 103 A CB 0.445 19.458 19.000 0.022 0.000 1.029 103 A HN 0.137 nan 8.150 nan 0.000 0.489 104 S N 0.902 116.613 115.700 0.019 0.000 2.511 104 S HA 0.181 4.651 4.470 -0.000 0.000 0.214 104 S C 0.653 175.262 174.600 0.015 0.000 0.997 104 S CA 0.471 58.681 58.200 0.017 0.000 0.908 104 S CB -1.112 62.103 63.200 0.024 0.000 0.803 104 S HN 1.397 nan 8.310 nan 0.000 0.504 105 V N 0.567 120.490 119.914 0.014 0.000 3.003 105 V HA 0.436 4.556 4.120 -0.000 0.000 0.305 105 V C -0.376 175.726 176.094 0.013 0.000 1.078 105 V CA -1.017 61.289 62.300 0.012 0.000 1.083 105 V CB 0.333 32.158 31.823 0.004 0.000 1.039 105 V HN 0.153 nan 8.190 nan 0.000 0.481 106 D N 1.793 122.202 120.400 0.015 0.000 2.302 106 D HA 0.456 5.096 4.640 -0.000 0.000 0.248 106 D C -0.067 176.247 176.300 0.023 0.000 1.094 106 D CA 0.072 54.082 54.000 0.017 0.000 0.897 106 D CB 1.968 42.777 40.800 0.016 0.000 1.200 106 D HN 0.850 nan 8.370 nan 0.000 0.429 107 V N -0.829 119.102 119.914 0.028 0.000 2.555 107 V HA 0.416 4.536 4.120 -0.000 0.000 0.302 107 V C 0.074 176.205 176.094 0.061 0.000 1.038 107 V CA -0.901 61.421 62.300 0.037 0.000 0.887 107 V CB 1.827 33.667 31.823 0.027 0.000 0.991 107 V HN 0.374 nan 8.190 nan 0.000 0.434 108 E N 2.769 123.028 120.200 0.098 0.000 2.422 108 E HA 0.137 4.487 4.350 -0.000 0.000 0.260 108 E C -0.354 176.344 176.600 0.164 0.000 1.108 108 E CA 0.235 56.736 56.400 0.168 0.000 0.943 108 E CB 0.537 30.415 29.700 0.297 0.000 0.961 108 E HN 1.010 nan 8.360 nan 0.000 0.443 109 D N 1.076 121.603 120.400 0.212 0.000 2.414 109 D HA -0.038 4.602 4.640 -0.000 0.000 0.251 109 D C 0.562 176.943 176.300 0.135 0.000 1.252 109 D CA -0.317 53.773 54.000 0.150 0.000 0.999 109 D CB 0.449 41.339 40.800 0.149 0.000 1.093 109 D HN 0.207 nan 8.370 nan 0.000 0.515 110 E N -0.667 119.578 120.200 0.074 0.000 2.515 110 E HA -0.031 4.319 4.350 -0.000 0.000 0.201 110 E C -0.304 176.289 176.600 -0.011 0.000 1.071 110 E CA 0.447 56.872 56.400 0.042 0.000 0.880 110 E CB -0.304 29.413 29.700 0.028 0.000 0.828 110 E HN 0.416 nan 8.360 nan 0.000 0.540 111 D N -0.071 120.284 120.400 -0.074 0.000 2.358 111 D HA 0.105 4.745 4.640 -0.000 0.000 0.244 111 D C -0.010 176.030 176.300 -0.434 0.000 1.163 111 D CA -0.255 53.590 54.000 -0.259 0.000 0.945 111 D CB 1.464 42.051 40.800 -0.356 0.000 1.152 111 D HN -0.271 nan 8.370 nan 0.000 0.451 112 V N 1.938 121.599 119.914 -0.421 0.000 2.394 112 V HA 0.244 4.364 4.120 -0.000 0.000 0.282 112 V C -0.481 175.321 176.094 -0.486 0.000 1.031 112 V CA -0.527 61.589 62.300 -0.306 0.000 0.881 112 V CB 0.207 31.972 31.823 -0.097 0.000 0.982 112 V HN 0.361 nan 8.190 nan 0.000 0.451 113 Y N 1.708 122.030 120.300 0.037 0.000 2.568 113 Y HA 0.463 5.013 4.550 -0.000 0.000 0.327 113 Y C 0.672 176.557 175.900 -0.025 0.000 1.163 113 Y CA -1.243 56.859 58.100 0.004 0.000 1.219 113 Y CB 0.761 39.221 38.460 -0.000 0.000 1.308 113 Y HN 0.809 nan 8.280 nan 0.000 0.503 114 D N -0.113 120.375 120.400 0.146 0.000 2.362 114 D HA -0.073 4.567 4.640 -0.000 0.000 0.238 114 D C 0.850 177.161 176.300 0.018 0.000 1.212 114 D CA -0.219 53.816 54.000 0.058 0.000 0.902 114 D CB 0.689 41.519 40.800 0.049 0.000 1.180 114 D HN 0.485 nan 8.370 nan 0.000 0.445 115 I N 0.319 120.884 120.570 -0.009 0.000 2.264 115 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 115 I C 2.196 178.279 176.117 -0.056 0.000 1.111 115 I CA 1.431 62.701 61.300 -0.050 0.000 1.382 115 I CB -0.219 37.763 38.000 -0.030 0.000 1.060 115 I HN 0.389 nan 8.210 nan 0.000 0.418 116 R N -0.782 119.705 120.500 -0.021 0.000 2.075 116 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 116 R C 2.171 178.461 176.300 -0.017 0.000 1.126 116 R CA 1.925 58.018 56.100 -0.011 0.000 0.963 116 R CB -0.783 29.519 30.300 0.003 0.000 0.858 116 R HN 0.364 nan 8.270 nan 0.000 0.435 117 T N 0.603 115.147 114.554 -0.017 0.000 2.737 117 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 117 T C 2.023 176.691 174.700 -0.053 0.000 1.038 117 T CA 1.624 63.705 62.100 -0.032 0.000 1.144 117 T CB -0.132 68.722 68.868 -0.023 0.000 0.866 117 T HN 0.213 nan 8.240 nan 0.000 0.434 118 S N 1.498 117.131 115.700 -0.111 0.000 2.353 118 S HA -0.076 4.394 4.470 -0.000 0.000 0.222 118 S C 1.972 176.452 174.600 -0.200 0.000 1.035 118 S CA 0.897 58.877 58.200 -0.366 0.000 1.025 118 S CB -0.567 62.114 63.200 -0.865 0.000 0.902 118 S HN 0.146 nan 8.310 nan 0.000 0.440 119 L N 1.603 122.762 121.223 -0.107 0.000 2.042 119 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 119 L C 2.604 179.535 176.870 0.102 0.000 1.076 119 L CA 1.744 56.615 54.840 0.052 0.000 0.749 119 L CB -1.341 40.739 42.059 0.036 0.000 0.893 119 L HN 0.326 nan 8.230 nan 0.000 0.432 120 A N -0.763 122.090 122.820 0.055 0.000 1.933 120 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 120 A C 2.124 179.756 177.584 0.080 0.000 1.175 120 A CA 1.756 53.830 52.037 0.061 0.000 0.628 120 A CB -0.574 18.441 19.000 0.025 0.000 0.814 120 A HN 0.502 nan 8.150 nan 0.000 0.444 121 N N 0.647 119.394 118.700 0.079 0.000 2.120 121 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 121 N C 1.086 176.683 175.510 0.144 0.000 1.024 121 N CA 1.555 54.663 53.050 0.098 0.000 0.852 121 N CB -0.434 38.121 38.487 0.114 0.000 1.003 121 N HN 0.455 nan 8.380 nan 0.000 0.424 122 D N 0.708 121.237 120.400 0.215 0.000 2.117 122 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 122 D C 1.920 178.412 176.300 0.320 0.000 0.982 122 D CA 0.493 54.639 54.000 0.244 0.000 0.828 122 D CB -0.232 40.779 40.800 0.351 0.000 0.967 122 D HN 0.244 nan 8.370 nan 0.000 0.464 123 M N 0.578 120.357 119.600 0.298 0.000 2.149 123 M HA -0.168 4.311 4.480 -0.000 0.000 0.261 123 M C 1.970 178.403 176.300 0.221 0.000 1.064 123 M CA 1.447 56.917 55.300 0.285 0.000 1.102 123 M CB 0.113 32.812 32.600 0.165 0.000 1.369 123 M HN 0.002 nan 8.290 nan 0.000 0.408 124 A N 0.356 123.265 122.820 0.148 0.000 1.930 124 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 124 A C 1.928 179.565 177.584 0.088 0.000 1.175 124 A CA 1.397 53.493 52.037 0.098 0.000 0.627 124 A CB -0.842 18.197 19.000 0.065 0.000 0.815 124 A HN 0.589 nan 8.150 nan 0.000 0.443 125 I N -2.090 118.525 120.570 0.075 0.000 2.252 125 I HA -0.264 3.905 4.170 -0.000 0.000 0.245 125 I C 2.380 178.494 176.117 -0.004 0.000 1.102 125 I CA 1.387 62.686 61.300 -0.001 0.000 1.385 125 I CB -0.460 37.491 38.000 -0.081 0.000 1.064 125 I HN 0.398 nan 8.210 nan 0.000 0.414 126 Y N 1.041 121.370 120.300 0.048 0.000 2.128 126 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 126 Y C 2.702 178.620 175.900 0.030 0.000 1.154 126 Y CA 1.668 59.794 58.100 0.044 0.000 1.149 126 Y CB -0.994 37.505 38.460 0.065 0.000 0.976 126 Y HN 0.150 nan 8.280 nan 0.000 0.505 127 G N -0.212 108.709 108.800 0.201 0.000 2.476 127 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.218 127 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.218 127 G C 1.158 176.097 174.900 0.065 0.000 1.164 127 G CA 1.583 46.750 45.100 0.111 0.000 0.768 127 G HN 0.305 nan 8.290 nan 0.000 0.560 128 D N 0.508 120.938 120.400 0.051 0.000 2.104 128 D HA -0.088 4.552 4.640 -0.000 0.000 0.194 128 D C 2.525 178.828 176.300 0.004 0.000 0.994 128 D CA 0.636 54.648 54.000 0.020 0.000 0.830 128 D CB -0.259 40.551 40.800 0.016 0.000 0.959 128 D HN 0.395 nan 8.370 nan 0.000 0.452 129 I N 0.335 120.914 120.570 0.014 0.000 2.315 129 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 129 I C 2.286 178.406 176.117 0.006 0.000 1.117 129 I CA 0.608 61.910 61.300 0.003 0.000 1.404 129 I CB -0.126 37.872 38.000 -0.003 0.000 1.071 129 I HN -0.000 nan 8.210 nan 0.000 0.419 130 I N 0.692 121.288 120.570 0.043 0.000 2.142 130 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 130 I C 2.499 178.609 176.117 -0.013 0.000 1.078 130 I CA 1.609 62.929 61.300 0.034 0.000 1.343 130 I CB -0.376 37.663 38.000 0.065 0.000 1.046 130 I HN 0.243 nan 8.210 nan 0.000 0.405 131 E N 0.816 121.005 120.200 -0.019 0.000 2.077 131 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 131 E C 2.318 178.852 176.600 -0.110 0.000 0.989 131 E CA 1.311 57.684 56.400 -0.045 0.000 0.800 131 E CB -0.187 29.495 29.700 -0.029 0.000 0.746 131 E HN 0.523 nan 8.360 nan 0.000 0.452 132 A N 0.934 123.661 122.820 -0.155 0.000 1.877 132 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 132 A C 2.392 179.661 177.584 -0.526 0.000 1.186 132 A CA 1.862 53.680 52.037 -0.364 0.000 0.620 132 A CB -0.878 17.949 19.000 -0.288 0.000 0.822 132 A HN 0.173 nan 8.150 nan 0.000 0.443 133 T N -0.308 114.108 114.554 -0.230 0.000 2.788 133 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 133 T C 2.023 176.687 174.700 -0.060 0.000 1.044 133 T CA 1.589 63.633 62.100 -0.094 0.000 1.139 133 T CB -0.232 68.629 68.868 -0.012 0.000 0.867 133 T HN 0.510 nan 8.240 nan 0.000 0.454 134 R N 0.873 121.330 120.500 -0.071 0.000 2.081 134 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 134 R C 2.577 178.860 176.300 -0.029 0.000 1.131 134 R CA 1.383 57.462 56.100 -0.035 0.000 0.960 134 R CB -0.159 30.122 30.300 -0.031 0.000 0.856 134 R HN 0.534 nan 8.270 nan 0.000 0.436 135 E N -0.533 119.619 120.200 -0.081 0.000 2.072 135 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 135 E C 1.812 178.459 176.600 0.078 0.000 0.985 135 E CA 1.157 57.538 56.400 -0.032 0.000 0.801 135 E CB -0.101 29.553 29.700 -0.077 0.000 0.750 135 E HN 0.608 nan 8.360 nan 0.000 0.452 136 H N -0.297 118.776 119.070 0.005 0.000 2.423 136 H HA -0.070 4.486 4.556 -0.000 0.000 0.297 136 H C 2.557 177.884 175.328 -0.002 0.000 1.075 136 H CA 1.304 57.352 56.048 0.000 0.000 1.342 136 H CB 0.083 29.845 29.762 0.001 0.000 1.395 136 H HN 0.240 nan 8.280 nan 0.000 0.530 137 T N -0.992 113.633 114.554 0.120 0.000 2.904 137 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 137 T C 1.726 176.459 174.700 0.054 0.000 1.059 137 T CA 1.099 63.241 62.100 0.070 0.000 1.137 137 T CB -0.014 68.882 68.868 0.047 0.000 0.879 137 T HN 0.407 nan 8.240 nan 0.000 0.467 138 E N 0.716 120.947 120.200 0.052 0.000 2.072 138 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 138 E C 2.107 178.726 176.600 0.032 0.000 0.985 138 E CA 0.957 57.381 56.400 0.040 0.000 0.801 138 E CB -0.280 29.441 29.700 0.034 0.000 0.750 138 E HN 0.336 nan 8.360 nan 0.000 0.452 139 L N 1.219 122.471 121.223 0.048 0.000 2.042 139 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 139 L C 2.192 179.058 176.870 -0.007 0.000 1.076 139 L CA 2.167 57.024 54.840 0.029 0.000 0.749 139 L CB -0.651 41.438 42.059 0.051 0.000 0.893 139 L HN 0.037 nan 8.230 nan 0.000 0.432 140 A N -0.988 121.827 122.820 -0.007 0.000 1.873 140 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 140 A C 2.191 179.714 177.584 -0.103 0.000 1.186 140 A CA 1.612 53.621 52.037 -0.048 0.000 0.616 140 A CB -0.625 18.360 19.000 -0.025 0.000 0.823 140 A HN 0.573 nan 8.150 nan 0.000 0.442 141 E N 0.142 120.304 120.200 -0.064 0.000 2.077 141 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 141 E C 1.810 178.354 176.600 -0.093 0.000 0.989 141 E CA 1.392 57.738 56.400 -0.089 0.000 0.800 141 E CB -0.431 29.300 29.700 0.051 0.000 0.746 141 E HN 0.755 nan 8.360 nan 0.000 0.452 142 N N 0.489 119.167 118.700 -0.038 0.000 2.166 142 N HA -0.114 4.625 4.740 -0.000 0.000 0.186 142 N C 1.826 177.308 175.510 -0.048 0.000 1.019 142 N CA 0.522 53.558 53.050 -0.022 0.000 0.856 142 N CB -0.044 38.441 38.487 -0.005 0.000 0.993 142 N HN 0.076 nan 8.380 nan 0.000 0.426 143 L N -0.090 121.089 121.223 -0.074 0.000 2.552 143 L HA 0.089 4.429 4.340 -0.000 0.000 0.227 143 L C 1.227 178.025 176.870 -0.120 0.000 1.146 143 L CA 0.110 54.904 54.840 -0.077 0.000 0.858 143 L CB -0.192 41.826 42.059 -0.069 0.000 0.969 143 L HN 0.290 nan 8.230 nan 0.000 0.451 144 G N 0.167 108.835 108.800 -0.220 0.000 2.143 144 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.248 144 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.248 144 G C 0.127 174.763 174.900 -0.441 0.000 0.991 144 G CA 0.351 45.238 45.100 -0.355 0.000 0.689 144 G HN 0.381 nan 8.290 nan 0.000 0.522 145 D N 0.169 120.359 120.400 -0.350 0.000 2.564 145 D HA 0.304 4.943 4.640 -0.000 0.000 0.226 145 D C 1.568 177.743 176.300 -0.208 0.000 1.149 145 D CA -0.643 53.237 54.000 -0.200 0.000 0.994 145 D CB -0.228 40.507 40.800 -0.108 0.000 1.029 145 D HN 0.434 nan 8.370 nan 0.000 0.517 146 H N 1.332 120.412 119.070 0.016 0.000 2.457 146 H HA -0.044 4.512 4.556 -0.000 0.000 0.294 146 H C 1.683 177.040 175.328 0.048 0.000 1.064 146 H CA 1.176 57.241 56.048 0.027 0.000 1.330 146 H CB 0.203 29.970 29.762 0.008 0.000 1.395 146 H HN 0.472 nan 8.280 nan 0.000 0.541 147 A N 0.498 123.387 122.820 0.115 0.000 1.897 147 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 147 A C 2.579 180.222 177.584 0.099 0.000 1.181 147 A CA 1.698 53.794 52.037 0.099 0.000 0.620 147 A CB -0.653 18.379 19.000 0.053 0.000 0.821 147 A HN 0.317 nan 8.150 nan 0.000 0.443 148 T N 0.267 114.851 114.554 0.049 0.000 2.777 148 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 148 T C 2.252 176.982 174.700 0.049 0.000 1.040 148 T CA 1.430 63.549 62.100 0.031 0.000 1.141 148 T CB -0.416 68.449 68.868 -0.006 0.000 0.868 148 T HN 0.566 nan 8.240 nan 0.000 0.444 149 A N 1.089 123.945 122.820 0.059 0.000 1.883 149 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 149 A C 2.028 179.674 177.584 0.103 0.000 1.186 149 A CA 2.320 54.403 52.037 0.076 0.000 0.624 149 A CB -1.001 18.052 19.000 0.088 0.000 0.822 149 A HN 0.642 nan 8.150 nan 0.000 0.444 150 H N -0.893 118.206 119.070 0.047 0.000 2.321 150 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 150 H C 2.005 177.347 175.328 0.023 0.000 1.087 150 H CA 2.105 58.176 56.048 0.038 0.000 1.319 150 H CB -0.226 29.560 29.762 0.040 0.000 1.379 150 H HN 0.415 nan 8.280 nan 0.000 0.501 151 M N -0.218 119.416 119.600 0.057 0.000 2.159 151 M HA -0.157 4.322 4.480 -0.000 0.000 0.263 151 M C 1.733 178.006 176.300 -0.044 0.000 1.063 151 M CA 1.596 56.891 55.300 -0.008 0.000 1.110 151 M CB -0.152 32.466 32.600 0.030 0.000 1.374 151 M HN 0.412 nan 8.290 nan 0.000 0.411 152 L N -0.209 121.005 121.223 -0.014 0.000 2.046 152 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 152 L C 2.655 179.505 176.870 -0.033 0.000 1.077 152 L CA 1.332 56.169 54.840 -0.005 0.000 0.747 152 L CB -0.616 41.462 42.059 0.031 0.000 0.896 152 L HN 0.328 nan 8.230 nan 0.000 0.432 153 R N -0.380 120.081 120.500 -0.065 0.000 2.092 153 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 153 R C 2.173 178.402 176.300 -0.119 0.000 1.119 153 R CA 0.922 56.971 56.100 -0.085 0.000 0.970 153 R CB -0.246 29.994 30.300 -0.100 0.000 0.864 153 R HN 0.376 nan 8.270 nan 0.000 0.440 154 E N 0.013 120.101 120.200 -0.187 0.000 2.077 154 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 154 E C 2.077 178.629 176.600 -0.079 0.000 0.989 154 E CA 1.530 57.834 56.400 -0.160 0.000 0.800 154 E CB -0.207 29.382 29.700 -0.185 0.000 0.746 154 E HN 0.495 nan 8.360 nan 0.000 0.452 155 G N 1.246 110.010 108.800 -0.060 0.000 2.408 155 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.215 155 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.215 155 G C 1.629 176.524 174.900 -0.009 0.000 1.156 155 G CA 0.407 45.489 45.100 -0.030 0.000 0.793 155 G HN 0.191 nan 8.290 nan 0.000 0.535 156 L N 0.861 122.076 121.223 -0.014 0.000 2.042 156 L HA -0.004 4.335 4.340 -0.000 0.000 0.210 156 L C 2.357 179.228 176.870 0.002 0.000 1.076 156 L CA 1.326 56.167 54.840 0.002 0.000 0.749 156 L CB -0.334 41.720 42.059 -0.009 0.000 0.893 156 L HN 0.167 nan 8.230 nan 0.000 0.432 157 I N -0.501 120.058 120.570 -0.019 0.000 2.286 157 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 157 I C 2.189 178.304 176.117 -0.003 0.000 1.115 157 I CA 1.418 62.705 61.300 -0.021 0.000 1.392 157 I CB -0.617 37.361 38.000 -0.037 0.000 1.065 157 I HN 0.393 nan 8.210 nan 0.000 0.418 158 E N 0.307 120.511 120.200 0.008 0.000 2.107 158 E HA -0.142 4.207 4.350 -0.000 0.000 0.191 158 E C 2.154 178.792 176.600 0.063 0.000 0.982 158 E CA 0.720 57.138 56.400 0.029 0.000 0.809 158 E CB -0.312 29.398 29.700 0.017 0.000 0.756 158 E HN 0.307 nan 8.360 nan 0.000 0.459 159 L N 1.483 122.757 121.223 0.084 0.000 2.056 159 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 159 L C 2.080 178.997 176.870 0.079 0.000 1.078 159 L CA 1.551 56.497 54.840 0.177 0.000 0.749 159 L CB -0.753 41.428 42.059 0.204 0.000 0.901 159 L HN 0.128 nan 8.230 nan 0.000 0.433 160 E N -0.904 119.319 120.200 0.039 0.000 2.150 160 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 160 E C 1.635 178.218 176.600 -0.028 0.000 0.985 160 E CA 1.061 57.457 56.400 -0.007 0.000 0.814 160 E CB 0.015 29.705 29.700 -0.017 0.000 0.752 160 E HN 0.441 nan 8.360 nan 0.000 0.466 161 D N 1.059 121.461 120.400 0.003 0.000 2.097 161 D HA -0.155 4.484 4.640 -0.000 0.000 0.195 161 D C 1.495 177.902 176.300 0.179 0.000 0.989 161 D CA 1.082 55.111 54.000 0.049 0.000 0.827 161 D CB -0.006 40.853 40.800 0.098 0.000 0.966 161 D HN 0.009 nan 8.370 nan 0.000 0.456 162 D N -0.270 120.209 120.400 0.133 0.000 2.144 162 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 162 D C 1.930 178.127 176.300 -0.172 0.000 0.978 162 D CA 1.125 55.222 54.000 0.161 0.000 0.833 162 D CB -0.329 40.472 40.800 0.002 0.000 0.961 162 D HN 0.274 nan 8.370 nan 0.000 0.470 163 A N 0.708 123.209 122.820 -0.532 0.000 1.902 163 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 163 A C 2.085 179.572 177.584 -0.162 0.000 1.181 163 A CA 1.591 53.321 52.037 -0.511 0.000 0.623 163 A CB -0.908 17.919 19.000 -0.288 0.000 0.818 163 A HN 0.384 nan 8.150 nan 0.000 0.443 164 H N -1.411 117.532 119.070 -0.212 0.000 2.389 164 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 164 H C 1.965 177.081 175.328 -0.352 0.000 1.081 164 H CA 1.747 57.623 56.048 -0.285 0.000 1.345 164 H CB -0.281 29.262 29.762 -0.364 0.000 1.393 164 H HN 0.615 nan 8.280 nan 0.000 0.520 165 H N 0.651 119.519 119.070 -0.336 0.000 2.319 165 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 165 H C 2.717 177.804 175.328 -0.402 0.000 1.092 165 H CA 1.616 57.370 56.048 -0.490 0.000 1.302 165 H CB -0.036 29.485 29.762 -0.401 0.000 1.373 165 H HN 0.401 nan 8.280 nan 0.000 0.497 166 I N 0.691 121.266 120.570 0.008 0.000 2.286 166 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 166 I C 2.661 178.814 176.117 0.059 0.000 1.115 166 I CA 1.235 62.621 61.300 0.144 0.000 1.392 166 I CB -0.269 37.843 38.000 0.185 0.000 1.065 166 I HN 0.298 nan 8.210 nan 0.000 0.418 167 E N 0.574 120.743 120.200 -0.051 0.000 2.085 167 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 167 E C 2.120 178.724 176.600 0.006 0.000 0.994 167 E CA 1.448 57.830 56.400 -0.029 0.000 0.801 167 E CB -0.086 29.576 29.700 -0.063 0.000 0.743 167 E HN 0.608 nan 8.360 nan 0.000 0.453 168 H N -1.802 117.074 119.070 -0.324 0.000 2.428 168 H HA -0.102 4.454 4.556 -0.000 0.000 0.296 168 H C 1.659 176.858 175.328 -0.214 0.000 1.062 168 H CA 0.900 56.750 56.048 -0.330 0.000 1.350 168 H CB 0.184 29.636 29.762 -0.516 0.000 1.403 168 H HN 0.266 nan 8.280 nan 0.000 0.533 169 Y N 0.658 120.920 120.300 -0.063 0.000 2.274 169 Y HA -0.138 4.411 4.550 -0.000 0.000 0.290 169 Y C 2.176 178.046 175.900 -0.050 0.000 1.145 169 Y CA 0.879 58.932 58.100 -0.079 0.000 1.203 169 Y CB -0.081 38.312 38.460 -0.111 0.000 0.984 169 Y HN 0.139 nan 8.280 nan 0.000 0.533 170 L N -0.640 120.657 121.223 0.123 0.000 2.591 170 L HA 0.031 4.371 4.340 -0.000 0.000 0.228 170 L C 0.761 177.645 176.870 0.022 0.000 1.133 170 L CA -0.034 54.844 54.840 0.064 0.000 0.880 170 L CB -0.187 41.907 42.059 0.057 0.000 1.033 170 L HN -0.021 nan 8.230 nan 0.000 0.450 171 E N 1.714 121.909 120.200 -0.008 0.000 2.418 171 E HA -0.055 4.295 4.350 -0.000 0.000 0.261 171 E C -0.078 176.499 176.600 -0.038 0.000 1.070 171 E CA 0.073 56.445 56.400 -0.046 0.000 0.931 171 E CB 0.615 30.237 29.700 -0.129 0.000 0.954 171 E HN 0.168 nan 8.360 nan 0.000 0.439 172 D N 1.819 122.196 120.400 -0.038 0.000 2.801 172 D HA 0.098 4.737 4.640 -0.000 0.000 0.232 172 D C -0.467 175.810 176.300 -0.038 0.000 1.128 172 D CA -0.096 53.887 54.000 -0.029 0.000 1.003 172 D CB -0.060 40.727 40.800 -0.021 0.000 1.110 172 D HN 0.065 nan 8.370 nan 0.000 0.477 173 D N -0.383 119.991 120.400 -0.043 0.000 2.602 173 D HA 0.595 5.235 4.640 -0.000 0.000 0.236 173 D C -1.497 174.784 176.300 -0.031 0.000 1.209 173 D CA -0.383 53.590 54.000 -0.045 0.000 0.831 173 D CB 2.393 43.150 40.800 -0.071 0.000 1.478 173 D HN 0.099 nan 8.370 nan 0.000 0.438 174 T N 1.125 115.665 114.554 -0.024 0.000 2.831 174 T HA 0.232 4.582 4.350 -0.000 0.000 0.333 174 T C 0.201 174.895 174.700 -0.010 0.000 1.684 174 T CA -0.515 61.578 62.100 -0.012 0.000 1.049 174 T CB 0.523 69.391 68.868 -0.000 0.000 1.518 174 T HN 0.276 nan 8.240 nan 0.000 0.491 175 L N 2.117 123.337 121.223 -0.005 0.000 2.418 175 L HA 0.252 4.591 4.340 -0.000 0.000 0.218 175 L C 0.943 177.813 176.870 0.000 0.000 1.125 175 L CA 0.242 55.080 54.840 -0.003 0.000 0.835 175 L CB 0.138 42.197 42.059 -0.000 0.000 0.953 175 L HN 0.444 nan 8.230 nan 0.000 0.454 176 V N 0.609 120.525 119.914 0.003 0.000 2.763 176 V HA 0.047 4.167 4.120 -0.000 0.000 0.306 176 V C 0.617 176.712 176.094 0.002 0.000 1.059 176 V CA 0.223 62.526 62.300 0.005 0.000 1.138 176 V CB 0.869 32.697 31.823 0.009 0.000 0.940 176 V HN 0.413 nan 8.190 nan 0.000 0.489 177 T N 1.207 115.762 114.554 0.003 0.000 2.916 177 T HA 0.395 4.745 4.350 -0.000 0.000 0.292 177 T C 0.369 175.071 174.700 0.002 0.000 1.064 177 T CA -0.649 61.451 62.100 0.001 0.000 1.011 177 T CB 1.846 70.714 68.868 0.000 0.000 1.152 177 T HN 0.365 nan 8.240 nan 0.000 0.510 178 Q N 1.071 120.872 119.800 0.001 0.000 2.170 178 Q HA 0.088 4.427 4.340 -0.000 0.000 0.203 178 Q C 2.163 178.164 176.000 0.002 0.000 0.976 178 Q CA 2.435 58.239 55.803 0.002 0.000 0.858 178 Q CB -1.064 27.674 28.738 0.001 0.000 0.907 178 Q HN 0.973 nan 8.270 nan 0.000 0.433 179 G N -0.233 108.568 108.800 0.002 0.000 2.433 179 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 179 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 179 G C 1.425 176.327 174.900 0.003 0.000 1.186 179 G CA 0.843 45.944 45.100 0.002 0.000 0.779 179 G HN 0.507 nan 8.290 nan 0.000 0.543 180 A N -0.521 122.301 122.820 0.004 0.000 2.067 180 A HA 0.315 4.635 4.320 -0.000 0.000 0.219 180 A C 1.378 178.966 177.584 0.006 0.000 1.158 180 A CA 0.474 52.514 52.037 0.005 0.000 0.661 180 A CB -0.222 18.781 19.000 0.006 0.000 0.801 180 A HN 0.337 nan 8.150 nan 0.000 0.452 181 L N 0.000 121.226 121.223 0.005 0.000 2.949 181 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 181 L CA 0.000 54.843 54.840 0.006 0.000 0.813 181 L CB 0.000 42.062 42.059 0.005 0.000 0.961 181 L HN 0.000 nan 8.230 nan 0.000 0.502