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 1lnw_1_G DATA FIRST_RESID 4 DATA SEQUENCE PVNPDLXPAL XAVFQHVRTR IQSELDCQRL DLTPPDVHVL KLIDEQRGLN DATA SEQUENCE LQDLGRQXCR DKALITRKIR ELEGRNLVRR ERNXXXXRSF QLFLTDEGLA DATA SEQUENCE IHQHAEAIXS RVHDELFAPL TPVEQATLVH LLDQCLAA 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.299 177.300 -0.002 0.000 1.155 4 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 4 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 5 V N 2.540 122.453 119.914 -0.002 0.000 2.524 5 V HA 0.315 4.434 4.120 -0.001 0.000 0.297 5 V C -0.225 175.868 176.094 -0.001 0.000 1.035 5 V CA -0.899 61.400 62.300 -0.002 0.000 0.867 5 V CB 1.928 33.749 31.823 -0.003 0.000 1.004 5 V HN 0.224 nan 8.190 nan 0.000 0.426 6 N N 6.369 125.069 118.700 -0.000 0.000 2.359 6 N HA 0.062 4.801 4.740 -0.001 0.000 0.261 6 N C -1.559 173.951 175.510 0.001 0.000 1.267 6 N CA -0.732 52.319 53.050 0.001 0.000 0.864 6 N CB 1.867 40.355 38.487 0.002 0.000 1.063 6 N HN 0.333 nan 8.380 nan 0.000 0.474 7 P HA 0.006 nan 4.420 nan 0.000 0.223 7 P C -0.174 177.127 177.300 0.002 0.000 1.151 7 P CA 1.118 64.218 63.100 0.000 0.000 0.787 7 P CB 0.331 32.032 31.700 0.000 0.000 0.788 8 D N -1.881 118.521 120.400 0.003 0.000 2.349 8 D HA 0.054 4.693 4.640 -0.001 0.000 0.214 8 D C 0.663 176.967 176.300 0.008 0.000 1.063 8 D CA -0.178 53.825 54.000 0.005 0.000 0.847 8 D CB -0.085 40.718 40.800 0.005 0.000 0.933 8 D HN 0.029 nan 8.370 nan 0.000 0.513 12 A N 0.420 123.252 122.820 0.021 0.000 1.877 12 A HA 0.002 4.321 4.320 -0.001 0.000 0.216 12 A C 1.240 178.851 177.584 0.045 0.000 1.186 12 A CA 1.050 53.103 52.037 0.027 0.000 0.620 12 A CB -0.964 18.051 19.000 0.024 0.000 0.822 12 A HN 0.219 nan 8.150 nan 0.000 0.443 16 V N 0.500 120.466 119.914 0.088 0.000 2.407 16 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 16 V C 2.176 178.329 176.094 0.098 0.000 1.055 16 V CA 2.562 64.907 62.300 0.075 0.000 1.049 16 V CB -0.963 30.901 31.823 0.070 0.000 0.662 16 V HN 0.599 nan 8.190 nan 0.000 0.455 17 F N 0.739 120.699 119.950 0.017 0.000 2.095 17 F HA -0.264 4.263 4.527 -0.001 0.000 0.298 17 F C 2.603 178.400 175.800 -0.004 0.000 1.104 17 F CA 2.423 60.427 58.000 0.007 0.000 1.232 17 F CB -0.284 38.724 39.000 0.012 0.000 0.987 17 F HN 0.095 nan 8.300 nan 0.000 0.475 18 Q N -1.208 118.687 119.800 0.158 0.000 2.124 18 Q HA -0.287 4.053 4.340 -0.001 0.000 0.202 18 Q C 2.189 178.155 176.000 -0.058 0.000 0.977 18 Q CA 1.806 57.639 55.803 0.051 0.000 0.850 18 Q CB -0.329 28.486 28.738 0.128 0.000 0.901 18 Q HN 0.656 nan 8.270 nan 0.000 0.429 19 H N -0.722 118.281 119.070 -0.111 0.000 2.321 19 H HA -0.095 4.460 4.556 -0.001 0.000 0.300 19 H C 1.782 176.980 175.328 -0.217 0.000 1.087 19 H CA 1.899 57.863 56.048 -0.140 0.000 1.319 19 H CB -0.184 29.502 29.762 -0.127 0.000 1.379 19 H HN 0.075 nan 8.280 nan 0.000 0.501 20 V N 1.278 120.998 119.914 -0.323 0.000 2.295 20 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 20 V C 2.775 178.608 176.094 -0.435 0.000 1.049 20 V CA 2.131 64.157 62.300 -0.457 0.000 1.024 20 V CB -0.600 30.946 31.823 -0.461 0.000 0.648 20 V HN 0.439 nan 8.190 nan 0.000 0.447 21 R N 0.024 120.240 120.500 -0.473 0.000 2.105 21 R HA -0.168 4.171 4.340 -0.001 0.000 0.239 21 R C 2.217 178.362 176.300 -0.258 0.000 1.135 21 R CA 2.327 58.187 56.100 -0.400 0.000 0.967 21 R CB -0.746 29.269 30.300 -0.475 0.000 0.861 21 R HN 0.531 nan 8.270 nan 0.000 0.442 22 T N 1.171 115.579 114.554 -0.244 0.000 2.812 22 T HA -0.003 4.346 4.350 -0.001 0.000 0.264 22 T C 1.876 176.448 174.700 -0.213 0.000 1.042 22 T CA 0.688 62.676 62.100 -0.186 0.000 1.140 22 T CB -0.044 68.734 68.868 -0.151 0.000 0.870 22 T HN 0.206 nan 8.240 nan 0.000 0.445 23 R N 0.753 121.066 120.500 -0.312 0.000 2.096 23 R HA 0.094 4.434 4.340 -0.001 0.000 0.235 23 R C 2.367 178.542 176.300 -0.209 0.000 1.127 23 R CA 0.924 56.852 56.100 -0.288 0.000 0.968 23 R CB -0.808 29.246 30.300 -0.409 0.000 0.861 23 R HN 0.458 nan 8.270 nan 0.000 0.440 24 I N 0.595 121.037 120.570 -0.213 0.000 2.202 24 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 24 I C 2.625 178.667 176.117 -0.125 0.000 1.091 24 I CA 1.114 62.320 61.300 -0.156 0.000 1.368 24 I CB -0.264 37.645 38.000 -0.151 0.000 1.058 24 I HN 0.071 nan 8.210 nan 0.000 0.410 25 Q N 0.760 120.487 119.800 -0.123 0.000 2.050 25 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 25 Q C 2.346 178.295 176.000 -0.085 0.000 0.980 25 Q CA 2.369 58.118 55.803 -0.091 0.000 0.840 25 Q CB -0.463 28.228 28.738 -0.079 0.000 0.898 25 Q HN 0.344 nan 8.270 nan 0.000 0.424 26 S N -0.552 115.091 115.700 -0.095 0.000 2.365 26 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 26 S C 1.820 176.375 174.600 -0.075 0.000 1.039 26 S CA 1.694 59.846 58.200 -0.080 0.000 1.033 26 S CB -0.373 62.772 63.200 -0.091 0.000 0.887 26 S HN 0.493 nan 8.310 nan 0.000 0.447 27 E N 0.666 120.812 120.200 -0.089 0.000 2.072 27 E HA 0.006 4.355 4.350 -0.001 0.000 0.191 27 E C 2.018 178.563 176.600 -0.093 0.000 0.985 27 E CA 1.120 57.471 56.400 -0.083 0.000 0.801 27 E CB -0.310 29.336 29.700 -0.090 0.000 0.750 27 E HN 0.554 nan 8.360 nan 0.000 0.452 28 L N 0.625 121.785 121.223 -0.104 0.000 2.131 28 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 28 L C 1.705 178.526 176.870 -0.082 0.000 1.092 28 L CA 1.022 55.792 54.840 -0.115 0.000 0.759 28 L CB -0.290 41.710 42.059 -0.098 0.000 0.903 28 L HN 0.134 nan 8.230 nan 0.000 0.435 29 D N -0.912 119.450 120.400 -0.063 0.000 2.103 29 D HA -0.173 4.466 4.640 -0.001 0.000 0.199 29 D C 2.200 178.480 176.300 -0.034 0.000 0.978 29 D CA 1.140 55.114 54.000 -0.043 0.000 0.829 29 D CB -0.478 40.298 40.800 -0.039 0.000 0.981 29 D HN 0.330 nan 8.370 nan 0.000 0.464 30 C N 1.003 120.281 119.300 -0.036 0.000 2.403 30 C HA -0.127 4.332 4.460 -0.001 0.000 0.277 30 C C 2.200 177.184 174.990 -0.009 0.000 1.248 30 C CA 0.859 59.864 59.018 -0.022 0.000 1.762 30 C CB -0.771 26.955 27.740 -0.023 0.000 2.014 30 C HN 0.249 nan 8.230 nan 0.000 0.486 31 Q N -0.292 119.495 119.800 -0.021 0.000 2.444 31 Q HA 0.127 4.466 4.340 -0.001 0.000 0.206 31 Q C 0.799 176.804 176.000 0.010 0.000 0.948 31 Q CA 0.299 56.107 55.803 0.009 0.000 0.946 31 Q CB -0.282 28.428 28.738 -0.047 0.000 1.027 31 Q HN 0.708 nan 8.270 nan 0.000 0.513 32 R N -0.040 120.453 120.500 -0.011 0.000 3.525 32 R HA -0.186 4.154 4.340 -0.001 0.000 0.276 32 R C 0.763 177.059 176.300 -0.006 0.000 1.116 32 R CA 0.195 56.292 56.100 -0.005 0.000 0.745 32 R CB -2.146 28.160 30.300 0.009 0.000 1.185 32 R HN 0.261 nan 8.270 nan 0.000 0.454 33 L N -0.264 120.939 121.223 -0.033 0.000 2.313 33 L HA -0.033 4.306 4.340 -0.001 0.000 0.214 33 L C 0.825 177.683 176.870 -0.019 0.000 1.119 33 L CA 1.013 55.833 54.840 -0.033 0.000 0.809 33 L CB -0.135 41.866 42.059 -0.097 0.000 0.933 33 L HN 0.304 nan 8.230 nan 0.000 0.449 34 D N 0.277 120.664 120.400 -0.022 0.000 2.699 34 D HA -0.173 4.466 4.640 -0.001 0.000 0.239 34 D C -0.900 175.393 176.300 -0.012 0.000 1.136 34 D CA 0.435 54.427 54.000 -0.013 0.000 0.668 34 D CB -0.578 40.219 40.800 -0.004 0.000 1.060 34 D HN -0.120 nan 8.370 nan 0.000 0.429 35 L N 0.018 121.229 121.223 -0.020 0.000 2.350 35 L HA 0.612 4.951 4.340 -0.001 0.000 0.260 35 L C 0.807 177.668 176.870 -0.016 0.000 1.015 35 L CA -0.550 54.283 54.840 -0.012 0.000 0.821 35 L CB 1.672 43.724 42.059 -0.012 0.000 1.370 35 L HN 0.038 nan 8.230 nan 0.000 0.416 36 T N 2.151 116.703 114.554 -0.003 0.000 2.929 36 T HA 0.356 4.705 4.350 -0.001 0.000 0.284 36 T C -1.700 173.004 174.700 0.006 0.000 1.014 36 T CA -1.209 60.890 62.100 -0.002 0.000 1.051 36 T CB 1.821 70.695 68.868 0.011 0.000 1.028 36 T HN 0.412 nan 8.240 nan 0.000 0.485 37 P HA -0.088 nan 4.420 nan 0.000 0.216 37 P C -1.724 175.611 177.300 0.057 0.000 1.150 37 P CA 1.486 64.586 63.100 -0.001 0.000 0.843 37 P CB -1.012 30.660 31.700 -0.045 0.000 0.787 38 P HA -0.100 nan 4.420 nan 0.000 0.219 38 P C 1.377 178.741 177.300 0.106 0.000 1.150 38 P CA 1.344 64.520 63.100 0.126 0.000 0.814 38 P CB -0.374 31.384 31.700 0.098 0.000 0.787 39 D N -0.887 119.552 120.400 0.065 0.000 2.117 39 D HA -0.102 4.537 4.640 -0.001 0.000 0.197 39 D C 1.995 178.341 176.300 0.075 0.000 0.987 39 D CA 1.033 55.063 54.000 0.050 0.000 0.829 39 D CB -0.719 40.099 40.800 0.030 0.000 0.961 39 D HN -0.009 nan 8.370 nan 0.000 0.460 40 V N 0.710 120.675 119.914 0.085 0.000 2.332 40 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 40 V C 2.356 178.559 176.094 0.183 0.000 1.055 40 V CA 1.751 64.118 62.300 0.111 0.000 1.038 40 V CB -0.707 31.156 31.823 0.066 0.000 0.651 40 V HN 0.385 nan 8.190 nan 0.000 0.450 41 H N -0.749 118.352 119.070 0.052 0.000 2.389 41 H HA -0.111 4.444 4.556 -0.002 0.000 0.299 41 H C 2.263 177.610 175.328 0.032 0.000 1.081 41 H CA 1.367 57.446 56.048 0.052 0.000 1.345 41 H CB 0.340 30.133 29.762 0.051 0.000 1.393 41 H HN 0.274 nan 8.280 nan 0.000 0.520 42 V N 1.047 120.992 119.914 0.052 0.000 2.358 42 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 42 V C 2.552 178.626 176.094 -0.033 0.000 1.047 42 V CA 1.371 63.642 62.300 -0.050 0.000 1.035 42 V CB -0.356 31.444 31.823 -0.037 0.000 0.658 42 V HN 0.415 nan 8.190 nan 0.000 0.452 43 L N -0.223 121.008 121.223 0.013 0.000 2.141 43 L HA -0.167 4.172 4.340 -0.001 0.000 0.209 43 L C 2.524 179.295 176.870 -0.165 0.000 1.094 43 L CA 1.565 56.384 54.840 -0.036 0.000 0.763 43 L CB -0.598 41.498 42.059 0.062 0.000 0.908 43 L HN 0.322 nan 8.230 nan 0.000 0.437 44 K N 0.910 121.313 120.400 0.004 0.000 2.001 44 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 44 K C 2.176 178.755 176.600 -0.034 0.000 1.048 44 K CA 1.219 57.527 56.287 0.036 0.000 0.932 44 K CB -0.053 32.601 32.500 0.257 0.000 0.715 44 K HN 0.200 nan 8.250 nan 0.000 0.437 45 L N 0.942 122.162 121.223 -0.006 0.000 2.042 45 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 45 L C 2.467 179.284 176.870 -0.088 0.000 1.076 45 L CA 1.208 56.022 54.840 -0.044 0.000 0.749 45 L CB -0.438 41.563 42.059 -0.097 0.000 0.893 45 L HN 0.256 nan 8.230 nan 0.000 0.432 46 I N 0.054 120.554 120.570 -0.117 0.000 2.286 46 I HA -0.299 3.870 4.170 -0.001 0.000 0.248 46 I C 2.180 178.214 176.117 -0.138 0.000 1.115 46 I CA 1.620 62.839 61.300 -0.135 0.000 1.392 46 I CB -0.318 37.608 38.000 -0.124 0.000 1.065 46 I HN 0.310 nan 8.210 nan 0.000 0.418 47 D N 0.703 120.989 120.400 -0.190 0.000 2.234 47 D HA -0.156 4.483 4.640 -0.001 0.000 0.205 47 D C 1.982 178.227 176.300 -0.091 0.000 0.962 47 D CA 1.123 55.009 54.000 -0.190 0.000 0.855 47 D CB 0.141 40.657 40.800 -0.474 0.000 0.951 47 D HN 0.310 nan 8.370 nan 0.000 0.500 48 E N -0.707 119.451 120.200 -0.070 0.000 2.318 48 E HA 0.040 4.389 4.350 -0.001 0.000 0.193 48 E C 0.462 177.051 176.600 -0.018 0.000 0.998 48 E CA 0.354 56.746 56.400 -0.014 0.000 0.859 48 E CB 0.290 29.998 29.700 0.015 0.000 0.812 48 E HN 0.377 nan 8.360 nan 0.000 0.492 49 Q N 1.166 120.939 119.800 -0.045 0.000 2.656 49 Q HA 0.219 4.559 4.340 -0.001 0.000 0.389 49 Q C -1.034 174.913 176.000 -0.089 0.000 0.883 49 Q CA -0.473 55.298 55.803 -0.052 0.000 1.056 49 Q CB 0.822 29.527 28.738 -0.056 0.000 1.391 49 Q HN -0.125 nan 8.270 nan 0.000 0.399 50 R N 0.488 120.951 120.500 -0.061 0.000 2.584 50 R HA 0.009 4.349 4.340 -0.001 0.000 0.315 50 R C 1.302 177.492 176.300 -0.185 0.000 0.863 50 R CA 1.532 57.587 56.100 -0.075 0.000 1.139 50 R CB -0.501 29.848 30.300 0.081 0.000 0.880 50 R HN 0.741 nan 8.270 nan 0.000 0.413 51 G N 1.732 110.182 108.800 -0.584 0.000 2.175 51 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.244 51 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.244 51 G C 0.245 174.932 174.900 -0.355 0.000 0.982 51 G CA 0.079 44.779 45.100 -0.666 0.000 0.641 51 G HN 0.668 nan 8.290 nan 0.000 0.527 52 L N -1.055 120.010 121.223 -0.264 0.000 2.483 52 L HA 0.534 4.873 4.340 -0.001 0.000 0.277 52 L C 0.546 177.334 176.870 -0.136 0.000 1.248 52 L CA -0.346 54.401 54.840 -0.154 0.000 0.825 52 L CB 0.384 42.370 42.059 -0.122 0.000 1.096 52 L HN 0.147 nan 8.230 nan 0.000 0.512 53 N N 0.777 119.432 118.700 -0.075 0.000 2.458 53 N HA 0.265 5.005 4.740 -0.001 0.000 0.271 53 N C 0.744 176.235 175.510 -0.032 0.000 1.210 53 N CA -0.471 52.559 53.050 -0.034 0.000 0.978 53 N CB 1.431 39.910 38.487 -0.014 0.000 1.206 53 N HN 0.844 nan 8.380 nan 0.000 0.536 54 L N 0.741 121.962 121.223 -0.002 0.000 2.156 54 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 54 L C 2.416 179.275 176.870 -0.018 0.000 1.095 54 L CA 0.800 55.632 54.840 -0.014 0.000 0.770 54 L CB -0.266 41.796 42.059 0.005 0.000 0.914 54 L HN 0.608 nan 8.230 nan 0.000 0.439 55 Q N 0.434 120.230 119.800 -0.007 0.000 2.061 55 Q HA -0.237 4.102 4.340 -0.001 0.000 0.204 55 Q C 1.608 177.595 176.000 -0.020 0.000 0.984 55 Q CA 1.932 57.729 55.803 -0.009 0.000 0.846 55 Q CB -0.091 28.645 28.738 -0.003 0.000 0.902 55 Q HN 0.547 nan 8.270 nan 0.000 0.421 56 D N 0.394 120.778 120.400 -0.027 0.000 2.097 56 D HA -0.147 4.492 4.640 -0.001 0.000 0.195 56 D C 2.165 178.437 176.300 -0.047 0.000 0.989 56 D CA 0.685 54.665 54.000 -0.034 0.000 0.827 56 D CB -0.272 40.504 40.800 -0.040 0.000 0.966 56 D HN 0.263 nan 8.370 nan 0.000 0.456 57 L N 0.991 122.179 121.223 -0.059 0.000 2.042 57 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 57 L C 2.600 179.427 176.870 -0.071 0.000 1.076 57 L CA 1.483 56.275 54.840 -0.080 0.000 0.749 57 L CB -0.699 41.310 42.059 -0.083 0.000 0.893 57 L HN 0.093 nan 8.230 nan 0.000 0.432 58 G N -0.392 108.378 108.800 -0.049 0.000 2.459 58 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.217 58 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.217 58 G C 1.665 176.546 174.900 -0.032 0.000 1.183 58 G CA 0.923 46.001 45.100 -0.037 0.000 0.776 58 G HN 0.312 nan 8.290 nan 0.000 0.552 59 R N 0.654 121.138 120.500 -0.027 0.000 2.080 59 R HA -0.058 4.281 4.340 -0.001 0.000 0.236 59 R C 1.518 177.807 176.300 -0.018 0.000 1.137 59 R CA 1.123 57.212 56.100 -0.018 0.000 0.943 59 R CB -0.384 29.907 30.300 -0.015 0.000 0.846 59 R HN 0.511 nan 8.270 nan 0.000 0.431 63 R N 2.093 122.586 120.500 -0.011 0.000 2.637 63 R HA 0.478 4.817 4.340 -0.001 0.000 0.291 63 R C -0.424 175.868 176.300 -0.013 0.000 0.963 63 R CA -0.179 55.914 56.100 -0.011 0.000 0.901 63 R CB 1.498 31.789 30.300 -0.014 0.000 1.160 63 R HN 0.591 nan 8.270 nan 0.000 0.457 64 D N 1.136 121.530 120.400 -0.010 0.000 2.398 64 D HA 0.004 4.643 4.640 -0.001 0.000 0.247 64 D C 0.706 176.999 176.300 -0.012 0.000 1.227 64 D CA -0.493 53.502 54.000 -0.009 0.000 0.980 64 D CB 1.337 42.133 40.800 -0.007 0.000 1.106 64 D HN 0.387 nan 8.370 nan 0.000 0.493 65 K N 0.218 120.613 120.400 -0.009 0.000 2.059 65 K HA -0.262 4.058 4.320 -0.001 0.000 0.212 65 K C 2.025 178.617 176.600 -0.013 0.000 1.050 65 K CA 1.790 58.071 56.287 -0.009 0.000 0.927 65 K CB -0.525 31.974 32.500 -0.002 0.000 0.714 65 K HN 0.511 nan 8.250 nan 0.000 0.447 66 A N 1.529 124.343 122.820 -0.010 0.000 1.869 66 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 66 A C 2.234 179.810 177.584 -0.015 0.000 1.203 66 A CA 1.920 53.950 52.037 -0.011 0.000 0.638 66 A CB -0.932 18.064 19.000 -0.008 0.000 0.831 66 A HN 0.397 nan 8.150 nan 0.000 0.450 67 L N -0.632 120.584 121.223 -0.013 0.000 1.976 67 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 67 L C 2.590 179.448 176.870 -0.020 0.000 1.071 67 L CA 1.196 56.027 54.840 -0.014 0.000 0.746 67 L CB -0.450 41.604 42.059 -0.010 0.000 0.890 67 L HN 0.365 nan 8.230 nan 0.000 0.432 68 I N -0.204 120.351 120.570 -0.024 0.000 2.151 68 I HA -0.336 3.834 4.170 -0.001 0.000 0.243 68 I C 2.553 178.647 176.117 -0.039 0.000 1.080 68 I CA 1.926 63.206 61.300 -0.033 0.000 1.339 68 I CB -1.485 36.493 38.000 -0.036 0.000 1.039 68 I HN 0.335 nan 8.210 nan 0.000 0.409 69 T N 0.221 114.753 114.554 -0.038 0.000 2.708 69 T HA -0.211 4.138 4.350 -0.001 0.000 0.266 69 T C 2.089 176.759 174.700 -0.049 0.000 1.037 69 T CA 1.406 63.475 62.100 -0.050 0.000 1.146 69 T CB -0.258 68.582 68.868 -0.046 0.000 0.865 69 T HN 0.266 nan 8.240 nan 0.000 0.435 70 R N 0.934 121.413 120.500 -0.035 0.000 2.094 70 R HA -0.181 4.158 4.340 -0.001 0.000 0.239 70 R C 2.476 178.758 176.300 -0.030 0.000 1.137 70 R CA 2.027 58.109 56.100 -0.030 0.000 0.943 70 R CB -0.182 30.105 30.300 -0.020 0.000 0.850 70 R HN 0.220 nan 8.270 nan 0.000 0.433 71 K N 0.337 120.720 120.400 -0.028 0.000 2.063 71 K HA -0.123 4.197 4.320 -0.001 0.000 0.208 71 K C 1.906 178.487 176.600 -0.032 0.000 1.048 71 K CA 1.458 57.730 56.287 -0.025 0.000 0.928 71 K CB -0.158 32.329 32.500 -0.022 0.000 0.713 71 K HN 0.130 nan 8.250 nan 0.000 0.442 72 I N 1.304 121.847 120.570 -0.045 0.000 2.286 72 I HA -0.196 3.973 4.170 -0.001 0.000 0.248 72 I C 2.151 178.232 176.117 -0.059 0.000 1.115 72 I CA 1.390 62.657 61.300 -0.055 0.000 1.392 72 I CB -0.882 37.074 38.000 -0.074 0.000 1.065 72 I HN 0.262 nan 8.210 nan 0.000 0.418 73 R N 0.256 120.718 120.500 -0.063 0.000 2.120 73 R HA -0.177 4.162 4.340 -0.001 0.000 0.234 73 R C 2.131 178.407 176.300 -0.040 0.000 1.123 73 R CA 1.049 57.112 56.100 -0.062 0.000 0.975 73 R CB -0.197 30.066 30.300 -0.062 0.000 0.866 73 R HN 0.454 nan 8.270 nan 0.000 0.446 74 E N 1.042 121.224 120.200 -0.031 0.000 2.072 74 E HA -0.142 4.207 4.350 -0.001 0.000 0.190 74 E C 1.848 178.440 176.600 -0.014 0.000 0.982 74 E CA 0.805 57.194 56.400 -0.019 0.000 0.803 74 E CB 0.105 29.796 29.700 -0.015 0.000 0.755 74 E HN 0.293 nan 8.360 nan 0.000 0.453 75 L N 0.685 121.898 121.223 -0.016 0.000 2.217 75 L HA -0.113 4.226 4.340 -0.001 0.000 0.211 75 L C 2.216 179.082 176.870 -0.006 0.000 1.107 75 L CA 0.910 55.745 54.840 -0.008 0.000 0.783 75 L CB -0.241 41.813 42.059 -0.009 0.000 0.919 75 L HN 0.126 nan 8.230 nan 0.000 0.442 76 E N 0.197 120.388 120.200 -0.016 0.000 2.107 76 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 76 E C 2.293 178.889 176.600 -0.008 0.000 0.982 76 E CA 0.915 57.308 56.400 -0.012 0.000 0.809 76 E CB -0.301 29.381 29.700 -0.030 0.000 0.756 76 E HN 0.510 nan 8.360 nan 0.000 0.459 77 G N 1.486 110.279 108.800 -0.012 0.000 2.450 77 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.220 77 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.220 77 G C 1.493 176.393 174.900 -0.001 0.000 1.130 77 G CA 0.351 45.446 45.100 -0.008 0.000 0.760 77 G HN 0.097 nan 8.290 nan 0.000 0.557 78 R N -0.263 120.238 120.500 0.002 0.000 2.426 78 R HA 0.134 4.473 4.340 -0.001 0.000 0.263 78 R C 0.631 176.939 176.300 0.012 0.000 0.961 78 R CA 0.083 56.188 56.100 0.007 0.000 1.086 78 R CB -0.094 30.211 30.300 0.009 0.000 1.186 78 R HN 0.280 nan 8.270 nan 0.000 0.537 79 N N 0.779 119.486 118.700 0.011 0.000 2.714 79 N HA -0.194 4.545 4.740 -0.001 0.000 0.252 79 N C -0.025 175.499 175.510 0.024 0.000 1.014 79 N CA 0.467 53.527 53.050 0.017 0.000 0.735 79 N CB -0.863 37.634 38.487 0.017 0.000 0.924 79 N HN 0.352 nan 8.380 nan 0.000 0.540 80 L N -2.025 119.212 121.223 0.023 0.000 2.537 80 L HA 0.310 4.649 4.340 -0.001 0.000 0.224 80 L C 0.253 177.142 176.870 0.033 0.000 1.065 80 L CA 0.201 55.060 54.840 0.031 0.000 0.860 80 L CB 0.451 42.527 42.059 0.029 0.000 1.086 80 L HN 0.035 nan 8.230 nan 0.000 0.482 81 V N 0.533 120.464 119.914 0.027 0.000 2.876 81 V HA 0.438 4.557 4.120 -0.001 0.000 0.312 81 V C -0.787 175.335 176.094 0.048 0.000 1.085 81 V CA -0.733 61.588 62.300 0.035 0.000 0.945 81 V CB 2.300 34.127 31.823 0.007 0.000 1.017 81 V HN 0.280 nan 8.190 nan 0.000 0.428 82 R N 2.780 123.337 120.500 0.095 0.000 2.740 82 R HA 0.809 5.148 4.340 -0.001 0.000 0.282 82 R C -0.730 175.672 176.300 0.170 0.000 0.969 82 R CA -0.985 55.182 56.100 0.111 0.000 0.918 82 R CB 2.282 32.653 30.300 0.117 0.000 1.175 82 R HN 0.529 nan 8.270 nan 0.000 0.464 83 R N 0.567 121.154 120.500 0.144 0.000 2.607 83 R HA 0.311 4.650 4.340 -0.001 0.000 0.261 83 R C -0.815 175.692 176.300 0.345 0.000 1.051 83 R CA -0.860 55.370 56.100 0.218 0.000 1.110 83 R CB 1.327 31.670 30.300 0.072 0.000 1.158 83 R HN 0.720 nan 8.270 nan 0.000 0.543 84 E N 0.783 121.259 120.200 0.459 0.000 2.349 84 E HA 0.133 4.482 4.350 -0.001 0.000 0.290 84 E C -1.399 175.328 176.600 0.212 0.000 0.901 84 E CA -0.450 56.157 56.400 0.346 0.000 0.800 84 E CB 0.889 30.870 29.700 0.467 0.000 1.303 84 E HN 0.319 nan 8.360 nan 0.000 0.397 85 R N 3.218 123.728 120.500 0.017 0.000 2.538 85 R HA 0.060 4.399 4.340 -0.001 0.000 0.282 85 R C 0.794 177.027 176.300 -0.111 0.000 1.009 85 R CA -0.006 55.936 56.100 -0.263 0.000 1.063 85 R CB 0.289 30.450 30.300 -0.231 0.000 0.945 85 R HN 0.564 nan 8.270 nan 0.000 0.414 92 S N 0.165 115.783 115.700 -0.137 0.000 2.661 92 S HA 0.595 5.064 4.470 -0.001 0.000 0.265 92 S C 0.071 174.545 174.600 -0.211 0.000 1.225 92 S CA -0.533 57.608 58.200 -0.098 0.000 0.986 92 S CB 0.398 63.606 63.200 0.013 0.000 1.008 92 S HN 0.111 nan 8.310 nan 0.000 0.565 93 F N 0.369 120.319 119.950 -0.000 0.000 2.408 93 F HA 0.510 5.036 4.527 -0.000 0.000 0.325 93 F C 0.909 176.698 175.800 -0.018 0.000 1.082 93 F CA -0.672 57.333 58.000 0.008 0.000 1.032 93 F CB 1.113 40.118 39.000 0.008 0.000 1.259 93 F HN 0.510 nan 8.300 nan 0.000 0.503 94 Q N 1.224 121.141 119.800 0.196 0.000 2.394 94 Q HA 0.657 4.996 4.340 -0.001 0.000 0.273 94 Q C -1.481 174.442 176.000 -0.128 0.000 1.089 94 Q CA -0.902 54.888 55.803 -0.022 0.000 0.812 94 Q CB 3.041 31.773 28.738 -0.010 0.000 1.353 94 Q HN 0.468 nan 8.270 nan 0.000 0.438 95 L N 2.007 122.983 121.223 -0.412 0.000 2.334 95 L HA 0.662 5.001 4.340 -0.001 0.000 0.276 95 L C -1.048 175.377 176.870 -0.742 0.000 1.014 95 L CA -0.596 54.027 54.840 -0.361 0.000 0.815 95 L CB 0.802 42.745 42.059 -0.192 0.000 1.268 95 L HN 0.531 nan 8.230 nan 0.000 0.428 96 F N 1.549 121.502 119.950 0.004 0.000 2.626 96 F HA 0.503 5.029 4.527 -0.002 0.000 0.311 96 F C -0.492 175.301 175.800 -0.012 0.000 1.088 96 F CA -0.811 57.186 58.000 -0.004 0.000 0.949 96 F CB 1.581 40.584 39.000 0.006 0.000 1.322 96 F HN 0.089 nan 8.300 nan 0.000 0.461 97 L N 1.302 122.623 121.223 0.164 0.000 2.357 97 L HA 0.564 4.903 4.340 -0.001 0.000 0.273 97 L C 0.597 177.526 176.870 0.098 0.000 1.080 97 L CA -0.189 54.702 54.840 0.085 0.000 0.803 97 L CB 1.431 43.509 42.059 0.030 0.000 1.174 97 L HN 0.838 nan 8.230 nan 0.000 0.443 98 T N -2.075 112.522 114.554 0.071 0.000 2.810 98 T HA 0.186 4.536 4.350 -0.001 0.000 0.277 98 T C 0.834 175.564 174.700 0.051 0.000 0.973 98 T CA -0.649 61.485 62.100 0.056 0.000 0.949 98 T CB 0.579 69.473 68.868 0.044 0.000 1.075 98 T HN 0.524 nan 8.240 nan 0.000 0.537 99 D N -0.075 120.348 120.400 0.040 0.000 2.123 99 D HA -0.133 4.506 4.640 -0.001 0.000 0.196 99 D C 1.825 178.152 176.300 0.046 0.000 0.992 99 D CA 1.442 55.465 54.000 0.039 0.000 0.833 99 D CB -0.082 40.735 40.800 0.027 0.000 0.954 99 D HN 0.854 nan 8.370 nan 0.000 0.455 100 E N 0.186 120.411 120.200 0.043 0.000 2.150 100 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 100 E C 2.096 178.732 176.600 0.061 0.000 0.985 100 E CA 0.999 57.427 56.400 0.047 0.000 0.814 100 E CB -0.121 29.601 29.700 0.038 0.000 0.752 100 E HN 0.216 nan 8.360 nan 0.000 0.466 101 G N 1.226 110.063 108.800 0.061 0.000 2.422 101 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 101 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 101 G C 1.474 176.438 174.900 0.107 0.000 1.146 101 G CA 0.663 45.805 45.100 0.071 0.000 0.769 101 G HN 0.260 nan 8.290 nan 0.000 0.547 102 L N 1.240 122.524 121.223 0.102 0.000 2.027 102 L HA 0.206 4.545 4.340 -0.001 0.000 0.206 102 L C 3.140 180.099 176.870 0.148 0.000 1.074 102 L CA 1.968 56.892 54.840 0.141 0.000 0.745 102 L CB -0.721 41.400 42.059 0.102 0.000 0.898 102 L HN 0.237 nan 8.230 nan 0.000 0.433 103 A N -0.499 122.381 122.820 0.100 0.000 1.908 103 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 103 A C 2.258 179.908 177.584 0.109 0.000 1.181 103 A CA 1.931 54.018 52.037 0.082 0.000 0.627 103 A CB -0.787 18.248 19.000 0.058 0.000 0.818 103 A HN 0.404 nan 8.150 nan 0.000 0.445 104 I N -0.786 119.855 120.570 0.118 0.000 2.142 104 I HA -0.217 3.952 4.170 -0.001 0.000 0.240 104 I C 2.380 178.580 176.117 0.138 0.000 1.078 104 I CA 2.307 63.681 61.300 0.124 0.000 1.343 104 I CB -1.224 36.833 38.000 0.095 0.000 1.046 104 I HN 0.650 nan 8.210 nan 0.000 0.405 105 H N 1.220 120.325 119.070 0.060 0.000 2.352 105 H HA -0.201 4.354 4.556 -0.002 0.000 0.299 105 H C 2.235 177.603 175.328 0.067 0.000 1.097 105 H CA 2.107 58.187 56.048 0.054 0.000 1.311 105 H CB -0.067 29.724 29.762 0.047 0.000 1.377 105 H HN 0.372 nan 8.280 nan 0.000 0.504 106 Q N -0.785 118.994 119.800 -0.035 0.000 2.061 106 Q HA -0.244 4.095 4.340 -0.001 0.000 0.204 106 Q C 2.246 178.233 176.000 -0.021 0.000 0.984 106 Q CA 1.776 57.529 55.803 -0.084 0.000 0.846 106 Q CB -0.385 28.363 28.738 0.016 0.000 0.902 106 Q HN 0.746 nan 8.270 nan 0.000 0.421 107 H N -0.342 118.688 119.070 -0.067 0.000 2.421 107 H HA -0.068 4.486 4.556 -0.003 0.000 0.298 107 H C 1.979 177.269 175.328 -0.063 0.000 1.087 107 H CA 0.622 56.641 56.048 -0.049 0.000 1.330 107 H CB 0.249 29.999 29.762 -0.020 0.000 1.388 107 H HN 0.308 nan 8.280 nan 0.000 0.526 108 A N 1.050 123.854 122.820 -0.027 0.000 1.877 108 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 108 A C 2.219 179.748 177.584 -0.091 0.000 1.186 108 A CA 1.516 53.498 52.037 -0.092 0.000 0.620 108 A CB -0.230 18.745 19.000 -0.042 0.000 0.822 108 A HN 0.416 nan 8.150 nan 0.000 0.443 109 E N 0.099 120.203 120.200 -0.161 0.000 2.153 109 E HA -0.120 4.229 4.350 -0.001 0.000 0.194 109 E C 2.248 178.819 176.600 -0.048 0.000 0.988 109 E CA 1.203 57.526 56.400 -0.129 0.000 0.811 109 E CB -0.653 28.916 29.700 -0.218 0.000 0.746 109 E HN 0.583 nan 8.360 nan 0.000 0.466 110 A N 1.098 123.909 122.820 -0.015 0.000 1.930 110 A HA -0.071 4.249 4.320 -0.001 0.000 0.217 110 A C 1.679 179.281 177.584 0.030 0.000 1.175 110 A CA 0.479 52.532 52.037 0.027 0.000 0.627 110 A CB -0.368 18.676 19.000 0.074 0.000 0.815 110 A HN 0.119 nan 8.150 nan 0.000 0.443 114 R N 1.575 122.104 120.500 0.049 0.000 2.081 114 R HA 0.029 4.368 4.340 -0.001 0.000 0.235 114 R C 1.856 178.161 176.300 0.007 0.000 1.131 114 R CA 2.214 58.331 56.100 0.029 0.000 0.960 114 R CB -0.519 29.789 30.300 0.012 0.000 0.856 114 R HN 0.369 nan 8.270 nan 0.000 0.436 115 V N 0.322 120.226 119.914 -0.016 0.000 2.343 115 V HA -0.271 3.849 4.120 -0.001 0.000 0.247 115 V C 2.173 178.170 176.094 -0.161 0.000 1.051 115 V CA 1.973 64.207 62.300 -0.110 0.000 1.036 115 V CB -0.698 31.023 31.823 -0.170 0.000 0.654 115 V HN 0.481 nan 8.190 nan 0.000 0.451 116 H N -0.429 118.577 119.070 -0.107 0.000 2.436 116 H HA -0.083 4.473 4.556 -0.001 0.000 0.294 116 H C 2.164 177.437 175.328 -0.091 0.000 1.048 116 H CA 1.453 57.399 56.048 -0.169 0.000 1.353 116 H CB 0.026 29.798 29.762 0.016 0.000 1.414 116 H HN 0.461 nan 8.280 nan 0.000 0.536 117 D N 0.773 121.259 120.400 0.143 0.000 2.178 117 D HA -0.154 4.485 4.640 -0.001 0.000 0.201 117 D C 2.073 178.413 176.300 0.068 0.000 0.980 117 D CA 0.830 54.917 54.000 0.145 0.000 0.842 117 D CB -0.077 40.784 40.800 0.102 0.000 0.948 117 D HN 0.578 nan 8.370 nan 0.000 0.472 118 E N 0.312 120.511 120.200 -0.002 0.000 2.106 118 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 118 E C 2.173 178.734 176.600 -0.066 0.000 0.984 118 E CA 0.364 56.750 56.400 -0.023 0.000 0.806 118 E CB -0.052 29.628 29.700 -0.034 0.000 0.750 118 E HN 0.105 nan 8.360 nan 0.000 0.458 119 L N 0.074 121.179 121.223 -0.198 0.000 2.046 119 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 119 L C 1.849 178.546 176.870 -0.289 0.000 1.077 119 L CA 1.757 56.391 54.840 -0.342 0.000 0.747 119 L CB -0.395 41.249 42.059 -0.692 0.000 0.896 119 L HN 0.188 nan 8.230 nan 0.000 0.432 120 F N -1.063 118.914 119.950 0.047 0.000 2.664 120 F HA 0.187 4.714 4.527 -0.000 0.000 0.296 120 F C 2.387 178.204 175.800 0.028 0.000 1.125 120 F CA 0.250 58.275 58.000 0.041 0.000 1.444 120 F CB -0.631 38.403 39.000 0.057 0.000 1.114 120 F HN 0.143 nan 8.300 nan 0.000 0.576 121 A N 1.713 124.636 122.820 0.171 0.000 1.940 121 A HA -0.223 4.097 4.320 -0.001 0.000 0.221 121 A C 0.056 177.688 177.584 0.080 0.000 1.190 121 A CA 1.918 54.019 52.037 0.107 0.000 0.647 121 A CB -2.106 16.933 19.000 0.065 0.000 0.821 121 A HN 0.261 nan 8.150 nan 0.000 0.457 122 P HA 0.043 nan 4.420 nan 0.000 0.230 122 P C 0.157 177.490 177.300 0.055 0.000 1.158 122 P CA 0.551 63.679 63.100 0.047 0.000 0.769 122 P CB -0.135 31.582 31.700 0.028 0.000 0.807 123 L N 0.940 122.213 121.223 0.083 0.000 2.326 123 L HA 0.195 4.534 4.340 -0.001 0.000 0.278 123 L C 1.269 178.170 176.870 0.050 0.000 1.092 123 L CA -0.667 54.215 54.840 0.071 0.000 0.810 123 L CB 0.829 42.945 42.059 0.096 0.000 1.153 123 L HN -0.039 nan 8.230 nan 0.000 0.439 124 T N -0.451 114.123 114.554 0.033 0.000 2.802 124 T HA 0.129 4.478 4.350 -0.001 0.000 0.305 124 T C -1.884 172.826 174.700 0.016 0.000 1.053 124 T CA -1.402 60.712 62.100 0.023 0.000 1.058 124 T CB 0.845 69.723 68.868 0.016 0.000 0.988 124 T HN 0.365 nan 8.240 nan 0.000 0.539 125 P HA -0.047 nan 4.420 nan 0.000 0.219 125 P C 1.556 178.852 177.300 -0.006 0.000 1.146 125 P CA 0.396 63.497 63.100 0.000 0.000 0.808 125 P CB -0.095 31.605 31.700 0.001 0.000 0.779 126 V N -0.182 119.731 119.914 -0.001 0.000 2.407 126 V HA -0.187 3.932 4.120 -0.001 0.000 0.245 126 V C 2.191 178.285 176.094 -0.000 0.000 1.041 126 V CA 1.684 63.982 62.300 -0.003 0.000 1.040 126 V CB -1.089 30.734 31.823 -0.000 0.000 0.671 126 V HN 0.164 nan 8.190 nan 0.000 0.455 127 E N -0.112 120.092 120.200 0.006 0.000 2.110 127 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 127 E C 2.330 178.930 176.600 0.001 0.000 0.988 127 E CA 1.169 57.576 56.400 0.012 0.000 0.804 127 E CB -0.141 29.573 29.700 0.023 0.000 0.745 127 E HN 0.650 nan 8.360 nan 0.000 0.458 128 Q N 0.169 119.962 119.800 -0.013 0.000 2.084 128 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 128 Q C 2.247 178.211 176.000 -0.061 0.000 0.978 128 Q CA 1.302 57.071 55.803 -0.056 0.000 0.844 128 Q CB -0.144 28.558 28.738 -0.060 0.000 0.898 128 Q HN 0.235 nan 8.270 nan 0.000 0.426 129 A N 0.414 123.215 122.820 -0.033 0.000 1.898 129 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 129 A C 2.247 179.836 177.584 0.008 0.000 1.181 129 A CA 1.792 53.816 52.037 -0.022 0.000 0.620 129 A CB -0.845 18.141 19.000 -0.023 0.000 0.819 129 A HN 0.302 nan 8.150 nan 0.000 0.442 130 T N 0.293 114.857 114.554 0.016 0.000 2.720 130 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 130 T C 1.830 176.563 174.700 0.054 0.000 1.037 130 T CA 1.304 63.435 62.100 0.052 0.000 1.144 130 T CB -0.356 68.535 68.868 0.039 0.000 0.864 130 T HN 0.357 nan 8.240 nan 0.000 0.444 131 L N 1.065 122.295 121.223 0.012 0.000 2.017 131 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 131 L C 2.508 179.364 176.870 -0.023 0.000 1.073 131 L CA 1.408 56.243 54.840 -0.008 0.000 0.745 131 L CB -0.413 41.621 42.059 -0.042 0.000 0.894 131 L HN 0.154 nan 8.230 nan 0.000 0.432 132 V N -0.702 119.187 119.914 -0.042 0.000 2.332 132 V HA -0.369 3.750 4.120 -0.001 0.000 0.248 132 V C 2.468 178.581 176.094 0.030 0.000 1.055 132 V CA 2.194 64.472 62.300 -0.036 0.000 1.038 132 V CB -1.061 30.735 31.823 -0.045 0.000 0.651 132 V HN 0.606 nan 8.190 nan 0.000 0.450 133 H N -0.334 118.715 119.070 -0.036 0.000 2.389 133 H HA -0.063 4.492 4.556 -0.001 0.000 0.299 133 H C 2.267 177.587 175.328 -0.012 0.000 1.081 133 H CA 1.536 57.571 56.048 -0.021 0.000 1.345 133 H CB 0.153 29.904 29.762 -0.018 0.000 1.393 133 H HN 0.354 nan 8.280 nan 0.000 0.520 134 L N 0.467 121.628 121.223 -0.103 0.000 2.093 134 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 134 L C 2.735 179.542 176.870 -0.105 0.000 1.085 134 L CA 0.535 55.290 54.840 -0.141 0.000 0.755 134 L CB -0.245 41.787 42.059 -0.044 0.000 0.904 134 L HN 0.274 nan 8.230 nan 0.000 0.435 135 L N -0.582 120.607 121.223 -0.056 0.000 2.093 135 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 135 L C 2.203 179.046 176.870 -0.044 0.000 1.085 135 L CA 1.016 55.838 54.840 -0.029 0.000 0.755 135 L CB -0.585 41.470 42.059 -0.006 0.000 0.904 135 L HN 0.283 nan 8.230 nan 0.000 0.435 136 D N -0.488 119.874 120.400 -0.062 0.000 2.144 136 D HA -0.169 4.470 4.640 -0.001 0.000 0.199 136 D C 2.334 178.581 176.300 -0.088 0.000 0.984 136 D CA 0.870 54.839 54.000 -0.053 0.000 0.834 136 D CB -0.139 40.651 40.800 -0.018 0.000 0.955 136 D HN 0.276 nan 8.370 nan 0.000 0.465 137 Q N 0.127 119.821 119.800 -0.177 0.000 2.181 137 Q HA -0.120 4.219 4.340 -0.001 0.000 0.205 137 Q C 2.513 178.462 176.000 -0.085 0.000 0.980 137 Q CA 0.634 56.337 55.803 -0.167 0.000 0.862 137 Q CB -0.761 27.830 28.738 -0.245 0.000 0.905 137 Q HN 0.386 nan 8.270 nan 0.000 0.429 138 C N 0.407 119.669 119.300 -0.064 0.000 2.446 138 C HA -0.076 4.383 4.460 -0.001 0.000 0.277 138 C C 2.709 177.686 174.990 -0.021 0.000 1.275 138 C CA 0.063 59.061 59.018 -0.034 0.000 1.727 138 C CB -1.065 26.663 27.740 -0.019 0.000 2.010 138 C HN 0.439 nan 8.230 nan 0.000 0.486 139 L N 0.856 122.069 121.223 -0.018 0.000 2.051 139 L HA -0.145 4.194 4.340 -0.001 0.000 0.214 139 L C 1.721 178.586 176.870 -0.008 0.000 1.076 139 L CA 2.378 57.213 54.840 -0.007 0.000 0.758 139 L CB -2.126 39.931 42.059 -0.003 0.000 0.890 139 L HN 0.603 nan 8.230 nan 0.000 0.433 140 A N -1.932 120.880 122.820 -0.013 0.000 6.366 140 A HA 0.073 4.392 4.320 -0.001 0.000 0.248 140 A C 0.779 178.361 177.584 -0.004 0.000 2.181 140 A CA 1.209 53.240 52.037 -0.010 0.000 0.702 140 A CB -1.745 17.250 19.000 -0.008 0.000 1.003 140 A HN 2.011 nan 8.150 nan 0.000 0.367 141 A N 0.000 122.819 122.820 -0.002 0.000 2.254 141 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 141 A CA 0.000 52.038 52.037 0.001 0.000 0.836 141 A CB 0.000 19.001 19.000 0.002 0.000 0.831 141 A HN 0.000 nan 8.150 nan 0.000 0.486