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 1pfx_1_L DATA FIRST_RESID 1 DATA SEQUENCE YNSGKLXXFV RGNLXRXcIX XKcSFXXARX VFXNTXKTNX FWKQYVDGDQ DATA SEQUENCE cEPNPcLNGG LcKXDINSYE cWcQVGFEGK NcELDATcNI KNGRcKQFcK DATA SEQUENCE TGADSKVLcS cTTGYRLAPD QKScKPAVPF PCGRVSVSHS PTTLTR 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 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.919 175.900 0.032 0.000 1.272 1 Y CA 0.000 58.122 58.100 0.036 0.000 1.940 1 Y CB 0.000 38.479 38.460 0.032 0.000 1.050 2 N N 1.586 120.430 118.700 0.240 0.000 2.663 2 N HA -0.130 nan 4.740 nan 0.000 0.263 2 N C -1.089 174.446 175.510 0.042 0.000 1.109 2 N CA 1.572 54.697 53.050 0.126 0.000 0.701 2 N CB -0.921 37.641 38.487 0.125 0.000 0.879 2 N HN 0.440 8.939 8.380 0.199 0.000 0.550 3 S N -3.532 112.118 115.700 -0.083 0.000 2.631 3 S HA 0.033 nan 4.470 nan 0.000 0.248 3 S C 0.918 175.420 174.600 -0.163 0.000 0.949 3 S CA 0.576 58.649 58.200 -0.212 0.000 1.470 3 S CB 0.780 63.602 63.200 -0.630 0.000 1.248 3 S HN 0.100 8.381 8.310 -0.049 0.000 0.662 4 G N 2.289 111.035 108.800 -0.090 0.000 2.583 4 G HA2 0.049 nan 3.960 nan 0.000 0.215 4 G HA3 0.049 nan 3.960 nan 0.000 0.215 4 G C -0.928 173.954 174.900 -0.030 0.000 1.481 4 G CA 0.396 45.461 45.100 -0.059 0.000 0.948 4 G HN 0.066 8.323 8.290 -0.056 0.000 0.511 5 K N -0.930 119.468 120.400 -0.003 0.000 2.690 5 K HA 0.320 nan 4.320 nan 0.000 0.305 5 K C -1.193 175.418 176.600 0.018 0.000 1.200 5 K CA -0.476 55.811 56.287 -0.000 0.000 1.071 5 K CB 0.341 32.827 32.500 -0.022 0.000 1.366 5 K HN 0.076 8.331 8.250 0.009 0.000 0.513 10 V N 1.579 121.577 119.914 0.141 0.000 2.630 10 V HA 0.215 nan 4.120 nan 0.000 0.305 10 V C 0.349 176.466 176.094 0.039 0.000 1.046 10 V CA -1.651 60.699 62.300 0.083 0.000 0.934 10 V CB 0.625 32.491 31.823 0.072 0.000 1.003 10 V HN -0.488 7.778 8.190 0.128 0.000 0.451 11 R N 4.758 125.275 120.500 0.027 0.000 2.538 11 R HA -0.078 nan 4.340 nan 0.000 0.282 11 R C 0.431 176.731 176.300 -0.000 0.000 1.009 11 R CA -0.177 55.929 56.100 0.010 0.000 1.063 11 R CB 0.994 31.301 30.300 0.011 0.000 0.945 11 R HN 0.394 8.684 8.270 0.033 0.000 0.414 12 G N 2.425 111.217 108.800 -0.014 0.000 2.353 12 G HA2 -0.164 nan 3.960 nan 0.000 0.239 12 G HA3 -0.164 nan 3.960 nan 0.000 0.239 12 G C -1.275 173.600 174.900 -0.043 0.000 1.295 12 G CA -0.251 44.831 45.100 -0.030 0.000 0.884 12 G HN 0.140 8.421 8.290 -0.014 0.000 0.537 13 N N 2.850 121.523 118.700 -0.046 0.000 2.682 13 N HA 0.015 nan 4.740 nan 0.000 0.252 13 N C -1.031 174.427 175.510 -0.086 0.000 1.081 13 N CA -1.139 51.878 53.050 -0.056 0.000 0.844 13 N CB 1.303 39.774 38.487 -0.028 0.000 1.167 13 N HN -0.074 8.286 8.380 -0.035 0.000 0.523 23 c N 0.070 118.822 118.600 0.254 0.000 2.325 23 c HA 0.463 nan 4.570 nan 0.000 0.370 23 c C 0.236 174.449 174.090 0.204 0.000 1.217 23 c CA -1.487 54.961 56.329 0.199 0.000 2.254 23 c CB 0.934 43.572 42.510 0.214 0.000 2.282 23 c HN 0.327 8.785 8.230 0.381 0.000 0.564 24 S N 0.037 115.802 115.700 0.110 0.000 2.641 24 S HA 0.105 nan 4.470 nan 0.000 0.261 24 S C -0.712 173.877 174.600 -0.017 0.000 1.257 24 S CA -0.228 58.004 58.200 0.052 0.000 0.983 24 S CB 0.359 63.578 63.200 0.032 0.000 0.990 24 S HN 0.084 8.447 8.310 0.089 0.000 0.572 38 T N 2.316 116.968 114.554 0.163 0.000 2.896 38 T HA -0.152 nan 4.350 nan 0.000 0.263 38 T C 0.450 175.535 174.700 0.641 0.000 1.050 38 T CA 1.935 64.325 62.100 0.483 0.000 1.140 38 T CB 0.151 69.374 68.868 0.592 0.000 0.877 38 T HN 0.021 8.365 8.240 0.174 0.000 0.457 42 W N 0.919 122.187 121.300 -0.054 0.000 2.474 42 W HA -0.150 nan 4.660 nan 0.000 0.319 42 W C 1.893 178.354 176.519 -0.097 0.000 1.165 42 W CA 1.909 59.175 57.345 -0.131 0.000 1.356 42 W CB 1.019 30.538 29.460 0.099 0.000 1.172 42 W HN -0.280 7.962 8.180 0.103 0.000 0.478 43 K N -2.146 118.237 120.400 -0.029 0.000 2.520 43 K HA -0.413 nan 4.320 nan 0.000 0.197 43 K C 0.070 176.607 176.600 -0.106 0.000 1.043 43 K CA 2.188 58.471 56.287 -0.007 0.000 0.944 43 K CB -0.978 31.556 32.500 0.058 0.000 0.770 43 K HN -0.596 7.741 8.250 0.146 0.000 0.480 44 Q N -3.429 116.245 119.800 -0.209 0.000 2.376 44 Q HA -0.099 nan 4.340 nan 0.000 0.206 44 Q C 0.497 176.392 176.000 -0.175 0.000 0.921 44 Q CA 0.820 56.516 55.803 -0.178 0.000 0.911 44 Q CB 0.470 29.096 28.738 -0.187 0.000 1.032 44 Q HN -0.529 7.500 8.270 -0.294 0.064 0.510 45 Y N 0.773 120.767 120.300 -0.511 0.000 2.220 45 Y HA -0.228 nan 4.550 nan 0.000 0.291 45 Y C -0.605 175.130 175.900 -0.275 0.000 1.129 45 Y CA 2.016 59.797 58.100 -0.531 0.000 1.161 45 Y CB 1.094 38.970 38.460 -0.973 0.000 0.997 45 Y HN -0.254 7.598 8.280 -0.427 0.172 0.522 46 V N -3.563 116.335 119.914 -0.027 0.000 4.491 46 V HA -0.029 nan 4.120 nan 0.000 0.164 46 V C -1.351 174.733 176.094 -0.017 0.000 1.146 46 V CA 0.775 63.074 62.300 -0.001 0.000 1.322 46 V CB 0.541 32.302 31.823 -0.104 0.000 1.741 46 V HN -0.660 7.448 8.190 -0.137 0.000 0.542 47 D N 1.726 122.114 120.400 -0.020 0.000 2.412 47 D HA -0.104 nan 4.640 nan 0.000 0.257 47 D C 0.854 177.149 176.300 -0.009 0.000 1.217 47 D CA 0.431 54.428 54.000 -0.005 0.000 0.897 47 D CB 0.404 41.210 40.800 0.011 0.000 1.132 47 D HN -0.171 8.186 8.370 -0.022 0.000 0.493 48 G N 5.260 114.051 108.800 -0.014 0.000 2.417 48 G HA2 -0.324 nan 3.960 nan 0.000 0.285 48 G HA3 -0.324 nan 3.960 nan 0.000 0.285 48 G C 0.380 175.256 174.900 -0.039 0.000 0.715 48 G CA 0.309 45.393 45.100 -0.026 0.000 1.206 48 G HN 0.054 8.338 8.290 -0.010 0.000 0.292 49 D N 4.511 124.882 120.400 -0.049 0.000 2.659 49 D HA -0.266 nan 4.640 nan 0.000 0.264 49 D C 0.380 176.624 176.300 -0.093 0.000 1.329 49 D CA 1.160 55.122 54.000 -0.064 0.000 0.963 49 D CB -0.213 40.542 40.800 -0.076 0.000 1.136 49 D HN 0.015 8.357 8.370 -0.045 0.000 0.554 50 Q N 4.167 123.918 119.800 -0.082 0.000 2.443 50 Q HA -0.270 nan 4.340 nan 0.000 0.213 50 Q C 0.282 176.090 176.000 -0.320 0.000 0.982 50 Q CA 2.577 58.301 55.803 -0.133 0.000 0.894 50 Q CB 0.032 28.752 28.738 -0.030 0.000 0.947 50 Q HN 0.599 8.843 8.270 -0.043 0.000 0.480 51 c N -0.360 118.083 118.600 -0.262 0.000 2.536 51 c HA 0.067 nan 4.570 nan 0.000 0.285 51 c C -0.329 173.622 174.090 -0.233 0.000 1.371 51 c CA -1.566 54.578 56.329 -0.307 0.000 1.675 51 c CB -1.680 40.730 42.510 -0.167 0.000 1.689 51 c HN -0.117 7.965 8.230 -0.158 0.053 0.589 52 E N 1.795 121.874 120.200 -0.202 0.000 2.604 52 E HA -0.185 nan 4.350 nan 0.000 0.267 52 E C -1.730 174.785 176.600 -0.142 0.000 0.970 52 E CA 0.292 56.606 56.400 -0.143 0.000 0.956 52 E CB 0.133 29.759 29.700 -0.122 0.000 0.939 52 E HN -0.291 7.739 8.360 -0.207 0.206 0.465 53 P HA -0.401 nan 4.420 nan 0.000 0.015 53 P C -1.492 175.749 177.300 -0.098 0.000 0.515 53 P CA 0.529 63.576 63.100 -0.088 0.000 1.034 53 P CB -0.837 30.819 31.700 -0.073 0.000 1.905 54 N N 0.517 119.155 118.700 -0.104 0.000 1.982 54 N HA -0.271 nan 4.740 nan 0.000 0.354 54 N C -0.210 175.249 175.510 -0.085 0.000 1.170 54 N CA 0.384 53.374 53.050 -0.098 0.000 0.800 54 N CB 0.229 38.674 38.487 -0.071 0.000 1.027 54 N HN 0.098 8.417 8.380 -0.102 0.000 0.549 55 P HA -0.086 nan 4.420 nan 0.000 0.214 55 P C -0.861 176.444 177.300 0.008 0.000 1.162 55 P CA 0.609 63.681 63.100 -0.046 0.000 0.874 55 P CB 0.477 32.142 31.700 -0.058 0.000 0.784 56 c N -0.547 118.081 118.600 0.047 0.000 2.657 56 c HA -0.035 nan 4.570 nan 0.000 0.404 56 c C 0.729 174.804 174.090 -0.025 0.000 1.369 56 c CA -0.254 56.098 56.329 0.037 0.000 1.665 56 c CB -1.511 41.043 42.510 0.072 0.000 2.453 56 c HN -0.333 7.936 8.230 0.065 0.000 0.599 57 L N 0.443 121.627 121.223 -0.065 0.000 2.874 57 L HA 0.469 nan 4.340 nan 0.000 0.229 57 L C 0.122 176.859 176.870 -0.223 0.000 1.200 57 L CA -0.784 53.983 54.840 -0.120 0.000 0.976 57 L CB 0.654 42.641 42.059 -0.119 0.000 1.887 57 L HN -0.321 7.876 8.230 -0.055 0.000 0.543 58 N N -1.977 116.528 118.700 -0.325 0.000 2.705 58 N HA -0.323 nan 4.740 nan 0.000 0.255 58 N C 0.091 175.425 175.510 -0.293 0.000 1.008 58 N CA 0.697 53.406 53.050 -0.569 0.000 0.742 58 N CB -1.856 35.712 38.487 -1.532 0.000 0.906 58 N HN 0.580 8.808 8.380 -0.255 0.000 0.541 59 G N -9.069 99.653 108.800 -0.130 0.000 2.200 59 G HA2 -0.319 nan 3.960 nan 0.000 0.267 59 G HA3 -0.319 nan 3.960 nan 0.000 0.267 59 G C -0.062 174.838 174.900 0.001 0.000 0.993 59 G CA -0.026 45.053 45.100 -0.034 0.000 0.701 59 G HN 0.062 8.274 8.290 -0.130 0.000 0.524 60 G N -0.047 108.742 108.800 -0.019 0.000 2.491 60 G HA2 -0.056 nan 3.960 nan 0.000 0.238 60 G HA3 -0.056 nan 3.960 nan 0.000 0.238 60 G C -1.114 173.807 174.900 0.035 0.000 1.277 60 G CA -0.384 44.739 45.100 0.038 0.000 0.851 60 G HN -0.366 7.687 8.290 -0.075 0.191 0.573 61 L N 2.757 124.020 121.223 0.067 0.000 2.259 61 L HA 0.213 nan 4.340 nan 0.000 0.288 61 L C -0.612 176.202 176.870 -0.092 0.000 1.051 61 L CA -1.219 53.618 54.840 -0.005 0.000 0.824 61 L CB 0.352 42.430 42.059 0.032 0.000 1.206 61 L HN 0.848 9.049 8.230 0.133 0.108 0.429 62 c N 6.956 125.502 118.600 -0.090 0.000 2.527 62 c HA 0.271 nan 4.570 nan 0.000 0.396 62 c C -0.732 173.242 174.090 -0.194 0.000 1.289 62 c CA -1.128 55.158 56.329 -0.072 0.000 2.047 62 c CB -0.450 42.047 42.510 -0.022 0.000 2.568 62 c HN 0.560 8.746 8.230 -0.073 0.000 0.573 66 I N -0.915 119.703 120.570 0.080 0.000 2.091 66 I HA -0.410 nan 4.170 nan 0.000 0.239 66 I C 0.852 177.007 176.117 0.063 0.000 1.061 66 I CA 2.490 63.837 61.300 0.079 0.000 1.317 66 I CB 0.330 38.375 38.000 0.075 0.000 1.031 66 I HN 0.526 8.786 8.210 0.084 0.000 0.401 67 N N -1.760 116.976 118.700 0.060 0.000 2.414 67 N HA -0.012 nan 4.740 nan 0.000 0.189 67 N C -0.456 175.102 175.510 0.081 0.000 1.039 67 N CA 0.871 53.955 53.050 0.056 0.000 0.889 67 N CB 0.076 38.589 38.487 0.043 0.000 1.085 67 N HN 0.169 8.585 8.380 0.060 0.000 0.442 68 S N -0.754 114.998 115.700 0.087 0.000 2.448 68 S HA 0.141 nan 4.470 nan 0.000 0.271 68 S C -2.086 172.642 174.600 0.214 0.000 1.145 68 S CA -0.339 57.938 58.200 0.127 0.000 1.022 68 S CB 1.423 64.644 63.200 0.035 0.000 1.202 68 S HN -0.522 7.829 8.310 0.068 0.000 0.479 69 Y N -4.282 116.019 120.300 0.002 0.000 2.717 69 Y HA 0.305 nan 4.550 nan 0.000 0.345 69 Y C -3.123 172.777 175.900 0.001 0.000 1.187 69 Y CA -1.039 57.051 58.100 -0.016 0.000 1.128 69 Y CB 2.309 40.748 38.460 -0.035 0.000 1.360 69 Y HN -0.296 7.913 8.280 -0.118 0.000 0.467 70 E N -2.101 117.951 120.200 -0.248 0.000 2.469 70 E HA 0.469 nan 4.350 nan 0.000 0.237 70 E C -2.155 174.418 176.600 -0.045 0.000 0.840 70 E CA -2.185 54.053 56.400 -0.270 0.000 0.894 70 E CB 3.810 33.490 29.700 -0.034 0.000 1.681 70 E HN 0.343 8.694 8.360 -0.015 0.000 0.401 71 c N -1.464 117.196 118.600 0.100 0.000 2.752 71 c HA 0.431 nan 4.570 nan 0.000 0.360 71 c C -1.224 173.126 174.090 0.433 0.000 1.081 71 c CA -0.830 55.608 56.329 0.181 0.000 1.272 71 c CB 1.491 44.086 42.510 0.140 0.000 1.754 71 c HN 0.194 8.506 8.230 0.136 0.000 0.483 72 W N 3.377 124.698 121.300 0.034 0.000 2.335 72 W HA 0.374 nan 4.660 nan 0.000 0.307 72 W C -0.070 176.476 176.519 0.044 0.000 1.117 72 W CA -2.916 54.448 57.345 0.033 0.000 1.228 72 W CB 0.160 29.637 29.460 0.028 0.000 1.240 72 W HN 0.642 8.970 8.180 0.247 0.000 0.468 73 c N 4.185 122.933 118.600 0.246 0.000 2.884 73 c HA 0.084 nan 4.570 nan 0.000 0.287 73 c C 0.162 174.369 174.090 0.195 0.000 1.310 73 c CA -1.178 55.272 56.329 0.202 0.000 1.725 73 c CB -0.944 41.690 42.510 0.206 0.000 2.060 73 c HN 0.762 9.115 8.230 0.205 0.000 0.618 74 Q N -2.108 117.786 119.800 0.157 0.000 2.075 74 Q HA -0.389 nan 4.340 nan 0.000 0.379 74 Q C -1.000 175.055 176.000 0.092 0.000 0.742 74 Q CA 2.318 58.192 55.803 0.119 0.000 0.973 74 Q CB -1.195 27.623 28.738 0.133 0.000 2.260 74 Q HN 0.066 8.435 8.270 0.166 0.000 0.824 75 V N -0.912 119.067 119.914 0.108 0.000 2.971 75 V HA 0.268 nan 4.120 nan 0.000 0.309 75 V C -1.000 175.060 176.094 -0.056 0.000 1.130 75 V CA -0.807 61.512 62.300 0.031 0.000 0.964 75 V CB 1.496 33.319 31.823 0.001 0.000 1.029 75 V HN -0.223 8.066 8.190 0.164 0.000 0.427 76 G N 4.696 113.387 108.800 -0.182 0.000 2.148 76 G HA2 -0.302 nan 3.960 nan 0.000 0.254 76 G HA3 -0.302 nan 3.960 nan 0.000 0.254 76 G C -1.219 173.167 174.900 -0.858 0.000 0.981 76 G CA 0.952 45.762 45.100 -0.484 0.000 0.670 76 G HN 0.692 8.916 8.290 -0.110 0.000 0.528 77 F N -2.323 117.639 119.950 0.021 0.000 2.574 77 F HA 0.298 nan 4.527 nan 0.000 0.313 77 F C -2.126 173.689 175.800 0.025 0.000 1.130 77 F CA -1.722 56.292 58.000 0.025 0.000 0.936 77 F CB 3.299 42.318 39.000 0.031 0.000 1.219 77 F HN -0.765 7.494 8.300 0.006 0.045 0.445 78 E N 1.843 122.164 120.200 0.203 0.000 2.316 78 E HA 0.314 nan 4.350 nan 0.000 0.258 78 E C -1.381 175.289 176.600 0.117 0.000 0.952 78 E CA -2.289 54.184 56.400 0.121 0.000 0.818 78 E CB 4.458 34.199 29.700 0.069 0.000 1.260 78 E HN 0.755 9.117 8.360 0.223 0.132 0.416 79 G N -0.585 108.263 108.800 0.079 0.000 2.785 79 G HA2 -0.250 nan 3.960 nan 0.000 0.686 79 G HA3 -0.250 nan 3.960 nan 0.000 0.686 79 G C 0.205 175.141 174.900 0.060 0.000 1.155 79 G CA -0.402 44.736 45.100 0.063 0.000 0.760 79 G HN -0.141 8.189 8.290 0.066 0.000 0.624 80 K N 1.970 122.393 120.400 0.039 0.000 2.444 80 K HA -0.421 nan 4.320 nan 0.000 0.200 80 K C -0.007 176.621 176.600 0.047 0.000 1.045 80 K CA 2.719 59.021 56.287 0.024 0.000 0.934 80 K CB -0.166 32.329 32.500 -0.009 0.000 0.756 80 K HN 0.412 8.680 8.250 0.031 0.000 0.477 81 N N -4.099 114.637 118.700 0.061 0.000 2.305 81 N HA 0.294 nan 4.740 nan 0.000 0.248 81 N C -1.396 174.138 175.510 0.040 0.000 1.290 81 N CA -0.707 52.384 53.050 0.068 0.000 0.873 81 N CB 1.612 40.137 38.487 0.064 0.000 1.261 81 N HN -0.405 8.223 8.380 0.056 -0.214 0.504 82 c N -2.069 116.567 118.600 0.060 0.000 3.744 82 c HA -0.369 nan 4.570 nan 0.000 0.290 82 c C 0.048 174.136 174.090 -0.005 0.000 1.385 82 c CA 0.581 56.948 56.329 0.064 0.000 2.099 82 c CB -3.270 39.248 42.510 0.014 0.000 1.359 82 c HN 0.617 8.801 8.230 0.079 0.093 0.629 83 E N -1.464 118.767 120.200 0.050 0.000 2.206 83 E HA 0.036 nan 4.350 nan 0.000 0.195 83 E C 0.419 177.093 176.600 0.123 0.000 0.935 83 E CA 0.250 56.674 56.400 0.039 0.000 0.875 83 E CB 0.888 30.608 29.700 0.034 0.000 0.841 83 E HN -0.248 8.157 8.360 0.076 0.000 0.477 84 L N 1.397 122.702 121.223 0.137 0.000 2.439 84 L HA -0.026 nan 4.340 nan 0.000 0.269 84 L C -0.232 176.773 176.870 0.224 0.000 1.179 84 L CA -0.138 54.788 54.840 0.142 0.000 0.828 84 L CB 0.311 42.425 42.059 0.091 0.000 1.106 84 L HN -0.741 7.557 8.230 0.114 0.000 0.467 85 D N 0.905 121.397 120.400 0.153 0.000 2.264 85 D HA 0.147 nan 4.640 nan 0.000 0.249 85 D C -0.851 175.437 176.300 -0.019 0.000 1.070 85 D CA -0.506 53.524 54.000 0.050 0.000 0.912 85 D CB 1.140 41.938 40.800 -0.003 0.000 1.193 85 D HN 0.003 8.440 8.370 0.112 0.000 0.427 86 A N 1.388 124.142 122.820 -0.110 0.000 2.362 86 A HA 0.307 nan 4.320 nan 0.000 0.276 86 A C -1.023 176.520 177.584 -0.067 0.000 1.153 86 A CA -0.104 51.891 52.037 -0.071 0.000 0.813 86 A CB 0.952 19.897 19.000 -0.091 0.000 1.081 86 A HN -0.180 7.706 8.150 -0.251 0.114 0.507 87 T N -1.676 112.857 114.554 -0.034 0.000 2.855 87 T HA 0.391 nan 4.350 nan 0.000 0.281 87 T C 1.048 175.736 174.700 -0.021 0.000 1.007 87 T CA -1.737 60.347 62.100 -0.028 0.000 1.009 87 T CB 1.653 70.512 68.868 -0.015 0.000 0.983 87 T HN -0.084 8.144 8.240 -0.021 0.000 0.455 88 c N 2.904 121.493 118.600 -0.020 0.000 2.388 88 c HA -0.278 nan 4.570 nan 0.000 0.299 88 c C 0.231 174.317 174.090 -0.007 0.000 1.390 88 c CA 1.784 58.106 56.329 -0.012 0.000 1.808 88 c CB -1.974 40.531 42.510 -0.008 0.000 1.831 88 c HN 1.064 9.281 8.230 -0.022 0.000 0.548 89 N N -2.740 115.955 118.700 -0.008 0.000 2.415 89 N HA -0.078 nan 4.740 nan 0.000 0.174 89 N C 0.067 175.575 175.510 -0.004 0.000 1.048 89 N CA 0.781 53.828 53.050 -0.005 0.000 0.895 89 N CB 0.017 38.501 38.487 -0.006 0.000 1.036 89 N HN -0.152 8.147 8.380 -0.009 0.076 0.449 90 I N -2.062 118.506 120.570 -0.004 0.000 2.291 90 I HA 0.226 nan 4.170 nan 0.000 0.292 90 I C -0.574 175.541 176.117 -0.003 0.000 1.064 90 I CA -0.035 61.264 61.300 -0.002 0.000 1.269 90 I CB -0.424 37.577 38.000 0.002 0.000 1.418 90 I HN -0.648 7.559 8.210 -0.005 0.000 0.485 91 K N 8.516 128.914 120.400 -0.004 0.000 3.653 91 K HA -0.428 nan 4.320 nan 0.000 0.275 91 K C -0.151 176.445 176.600 -0.007 0.000 0.962 91 K CA 0.504 56.787 56.287 -0.006 0.000 0.773 91 K CB -3.038 29.456 32.500 -0.008 0.000 1.463 91 K HN 0.834 9.082 8.250 -0.003 0.000 0.450 92 N N -2.752 115.946 118.700 -0.003 0.000 2.650 92 N HA -0.430 nan 4.740 nan 0.000 0.249 92 N C 0.510 176.020 175.510 -0.001 0.000 1.155 92 N CA 1.032 54.084 53.050 0.003 0.000 0.747 92 N CB -0.264 38.227 38.487 0.007 0.000 1.132 92 N HN 0.772 9.151 8.380 -0.001 0.000 0.564 93 G N -4.053 104.741 108.800 -0.009 0.000 2.155 93 G HA2 -0.536 nan 3.960 nan 0.000 0.257 93 G HA3 -0.536 nan 3.960 nan 0.000 0.257 93 G C -0.572 174.314 174.900 -0.023 0.000 0.983 93 G CA 0.825 45.914 45.100 -0.018 0.000 0.676 93 G HN -0.210 8.005 8.290 -0.008 0.071 0.528 94 R N -7.262 113.226 120.500 -0.020 0.000 3.728 94 R HA -0.391 nan 4.340 nan 0.000 0.478 94 R C -0.445 175.836 176.300 -0.032 0.000 0.932 94 R CA 0.452 56.537 56.100 -0.025 0.000 1.317 94 R CB -2.253 28.034 30.300 -0.022 0.000 1.987 94 R HN 0.406 8.497 8.270 -0.016 0.170 0.509 95 c N -0.617 117.966 118.600 -0.028 0.000 2.536 95 c HA 0.097 nan 4.570 nan 0.000 0.396 95 c C 0.986 175.047 174.090 -0.049 0.000 1.279 95 c CA -0.751 55.556 56.329 -0.038 0.000 2.148 95 c CB 0.960 43.455 42.510 -0.026 0.000 2.584 95 c HN -0.548 7.588 8.230 -0.020 0.082 0.579 96 K N 3.501 123.854 120.400 -0.079 0.000 2.366 96 K HA -0.140 nan 4.320 nan 0.000 0.198 96 K C -0.262 176.251 176.600 -0.144 0.000 1.044 96 K CA 1.840 58.068 56.287 -0.099 0.000 0.973 96 K CB 0.298 32.734 32.500 -0.107 0.000 0.767 96 K HN 0.806 8.896 8.250 -0.082 0.111 0.475 97 Q N -3.673 116.014 119.800 -0.189 0.000 1.843 97 Q HA 0.187 nan 4.340 nan 0.000 0.158 97 Q C -0.247 175.711 176.000 -0.070 0.000 0.469 97 Q CA -0.129 55.468 55.803 -0.343 0.000 0.656 97 Q CB 3.637 31.910 28.738 -0.775 0.000 1.214 97 Q HN -0.336 7.799 8.270 -0.155 0.042 0.292 98 F N -1.879 118.039 119.950 -0.053 0.000 2.458 98 F HA 0.296 nan 4.527 nan 0.000 0.336 98 F C -0.925 174.854 175.800 -0.035 0.000 1.114 98 F CA -2.921 55.055 58.000 -0.041 0.000 0.987 98 F CB 1.668 40.647 39.000 -0.035 0.000 1.130 98 F HN -0.102 7.944 8.300 -0.424 0.000 0.458 99 c N 2.001 120.698 118.600 0.161 0.000 2.626 99 c HA 0.727 nan 4.570 nan 0.000 0.310 99 c C -1.657 172.460 174.090 0.046 0.000 1.191 99 c CA -3.319 53.053 56.329 0.071 0.000 1.517 99 c CB 3.324 45.852 42.510 0.030 0.000 2.102 99 c HN 0.412 8.739 8.230 0.162 0.000 0.479 100 K N 4.420 124.836 120.400 0.026 0.000 2.498 100 K HA 0.273 nan 4.320 nan 0.000 0.254 100 K C -0.909 175.689 176.600 -0.004 0.000 0.933 100 K CA -0.731 55.561 56.287 0.009 0.000 0.806 100 K CB 4.198 36.705 32.500 0.012 0.000 1.301 100 K HN 0.372 8.636 8.250 0.024 0.000 0.432 101 T N 0.603 115.150 114.554 -0.010 0.000 2.868 101 T HA 0.316 nan 4.350 nan 0.000 0.292 101 T C -0.101 174.592 174.700 -0.013 0.000 1.028 101 T CA -0.111 61.979 62.100 -0.017 0.000 1.059 101 T CB 0.385 69.243 68.868 -0.017 0.000 0.991 101 T HN 0.145 8.380 8.240 -0.010 0.000 0.531 102 G N 0.619 109.410 108.800 -0.015 0.000 2.429 102 G HA2 -0.075 nan 3.960 nan 0.000 0.300 102 G HA3 -0.075 nan 3.960 nan 0.000 0.300 102 G C -2.066 172.828 174.900 -0.010 0.000 1.598 102 G CA 0.498 45.593 45.100 -0.010 0.000 0.863 102 G HN -0.272 8.006 8.290 -0.020 0.000 0.614 103 A N 0.082 122.899 122.820 -0.006 0.000 3.768 103 A HA -0.315 nan 4.320 nan 0.000 0.270 103 A C -1.408 176.173 177.584 -0.004 0.000 1.019 103 A CA 1.803 53.838 52.037 -0.004 0.000 1.058 103 A CB -0.526 18.472 19.000 -0.003 0.000 1.085 103 A HN 0.340 8.487 8.150 -0.005 0.000 0.857 104 D N -4.626 115.770 120.400 -0.008 0.000 4.945 104 D HA -0.031 nan 4.640 nan 0.000 0.344 104 D C -0.472 175.821 176.300 -0.012 0.000 1.791 104 D CA -0.270 53.726 54.000 -0.007 0.000 0.995 104 D CB 0.579 41.374 40.800 -0.008 0.000 1.534 104 D HN -0.280 7.960 8.370 -0.010 0.123 0.690 105 S N -1.885 113.803 115.700 -0.019 0.000 2.649 105 S HA 0.173 nan 4.470 nan 0.000 0.246 105 S C -0.167 174.406 174.600 -0.045 0.000 1.057 105 S CA 0.373 58.559 58.200 -0.023 0.000 1.051 105 S CB 1.732 64.925 63.200 -0.012 0.000 1.018 105 S HN -0.027 8.272 8.310 -0.020 0.000 0.569 106 K N 2.253 122.612 120.400 -0.068 0.000 2.154 106 K HA 0.179 nan 4.320 nan 0.000 0.264 106 K C 0.533 177.078 176.600 -0.092 0.000 1.008 106 K CA -0.561 55.655 56.287 -0.118 0.000 0.937 106 K CB 1.081 33.466 32.500 -0.191 0.000 1.002 106 K HN -0.606 7.883 8.250 -0.057 -0.274 0.469 107 V N -4.346 115.507 119.914 -0.103 0.000 3.681 107 V HA 0.063 nan 4.120 nan 0.000 0.298 107 V C -0.686 175.373 176.094 -0.058 0.000 1.097 107 V CA 0.001 62.261 62.300 -0.068 0.000 1.125 107 V CB 0.295 32.080 31.823 -0.063 0.000 1.140 107 V HN -0.100 8.011 8.190 -0.133 0.000 0.476 108 L N 0.585 121.788 121.223 -0.033 0.000 2.737 108 L HA 0.363 nan 4.340 nan 0.000 0.261 108 L C -1.465 175.402 176.870 -0.004 0.000 0.949 108 L CA 0.195 55.022 54.840 -0.021 0.000 0.952 108 L CB 2.616 44.668 42.059 -0.013 0.000 1.337 108 L HN -0.349 7.867 8.230 -0.023 0.000 0.430 109 c N 6.753 125.347 118.600 -0.009 0.000 2.480 109 c HA 0.750 nan 4.570 nan 0.000 0.344 109 c C -0.797 173.293 174.090 -0.000 0.000 1.380 109 c CA -1.228 55.098 56.329 -0.005 0.000 2.386 109 c CB 0.688 43.181 42.510 -0.028 0.000 2.210 109 c HN 0.813 9.032 8.230 -0.018 0.000 0.640 110 S N -1.089 114.598 115.700 -0.022 0.000 2.656 110 S HA 0.127 nan 4.470 nan 0.000 0.265 110 S C -2.137 172.347 174.600 -0.193 0.000 1.132 110 S CA -0.174 58.004 58.200 -0.037 0.000 0.819 110 S CB 1.268 64.502 63.200 0.057 0.000 1.119 110 S HN 0.417 8.701 8.310 -0.044 0.000 0.476 111 c N -0.116 118.361 118.600 -0.206 0.000 3.171 111 c HA 0.757 nan 4.570 nan 0.000 0.308 111 c C 0.042 173.975 174.090 -0.261 0.000 1.334 111 c CA -1.156 54.940 56.329 -0.388 0.000 1.473 111 c CB 4.204 46.601 42.510 -0.188 0.000 1.866 111 c HN 0.284 8.463 8.230 -0.085 0.000 0.465 112 T N 0.371 114.741 114.554 -0.306 0.000 2.828 112 T HA 0.210 nan 4.350 nan 0.000 0.290 112 T C 0.364 175.137 174.700 0.121 0.000 1.019 112 T CA -0.631 61.481 62.100 0.020 0.000 1.031 112 T CB 1.250 70.156 68.868 0.064 0.000 1.001 112 T HN 0.901 9.202 8.240 -0.511 -0.368 0.531 113 T N -0.750 113.888 114.554 0.140 0.000 2.800 113 T HA -0.125 nan 4.350 nan 0.000 0.283 113 T C 1.146 175.940 174.700 0.157 0.000 0.999 113 T CA 0.882 63.056 62.100 0.123 0.000 1.176 113 T CB -0.535 68.392 68.868 0.098 0.000 0.973 113 T HN 0.113 8.442 8.240 0.148 0.000 0.519 114 G N 4.372 113.238 108.800 0.110 0.000 2.436 114 G HA2 -0.240 nan 3.960 nan 0.000 0.204 114 G HA3 -0.240 nan 3.960 nan 0.000 0.204 114 G C -1.560 173.297 174.900 -0.071 0.000 1.026 114 G CA -0.180 44.934 45.100 0.023 0.000 0.658 114 G HN -0.040 8.301 8.290 0.085 0.000 0.499 115 Y N 1.562 121.839 120.300 -0.037 0.000 2.488 115 Y HA 0.429 nan 4.550 nan 0.000 0.325 115 Y C -1.179 174.687 175.900 -0.057 0.000 1.204 115 Y CA -0.268 57.797 58.100 -0.058 0.000 1.229 115 Y CB 2.093 40.501 38.460 -0.088 0.000 1.274 115 Y HN -0.312 8.149 8.280 0.402 0.061 0.493 116 R N -2.099 118.462 120.500 0.101 0.000 2.837 116 R HA 0.323 nan 4.340 nan 0.000 0.271 116 R C -1.853 174.461 176.300 0.024 0.000 0.993 116 R CA -2.090 54.033 56.100 0.038 0.000 0.931 116 R CB 2.872 33.177 30.300 0.008 0.000 1.206 116 R HN 0.895 9.121 8.270 0.112 0.111 0.474 117 L N 0.816 122.041 121.223 0.002 0.000 2.361 117 L HA 0.191 nan 4.340 nan 0.000 0.278 117 L C -0.794 176.072 176.870 -0.008 0.000 1.113 117 L CA -0.967 53.866 54.840 -0.012 0.000 0.849 117 L CB 0.454 42.504 42.059 -0.016 0.000 1.155 117 L HN 0.257 8.489 8.230 0.003 0.000 0.452 118 A N 7.688 130.502 122.820 -0.011 0.000 2.409 118 A HA 0.094 nan 4.320 nan 0.000 0.246 118 A C -1.202 176.379 177.584 -0.006 0.000 1.099 118 A CA -0.518 51.514 52.037 -0.009 0.000 0.789 118 A CB -0.999 17.993 19.000 -0.013 0.000 1.053 118 A HN 0.851 8.879 8.150 -0.016 0.112 0.503 119 P HA -0.124 nan 4.420 nan 0.000 0.225 119 P C -1.527 175.778 177.300 0.008 0.000 1.148 119 P CA 2.011 65.113 63.100 0.004 0.000 0.779 119 P CB -0.281 31.422 31.700 0.006 0.000 0.780 120 D N -6.021 114.382 120.400 0.004 0.000 2.347 120 D HA -0.135 nan 4.640 nan 0.000 0.215 120 D C -0.171 176.131 176.300 0.005 0.000 0.976 120 D CA 0.134 54.139 54.000 0.009 0.000 0.884 120 D CB -0.855 39.947 40.800 0.003 0.000 0.915 120 D HN -0.262 8.065 8.370 -0.002 0.043 0.526 121 Q N -4.716 115.082 119.800 -0.004 0.000 2.493 121 Q HA -0.428 nan 4.340 nan 0.000 0.260 121 Q C -0.543 175.444 176.000 -0.021 0.000 0.905 121 Q CA 1.450 57.248 55.803 -0.009 0.000 1.140 121 Q CB -1.952 26.784 28.738 -0.003 0.000 1.435 121 Q HN -0.040 8.053 8.270 -0.005 0.175 0.581 122 K N -5.618 114.765 120.400 -0.027 0.000 2.598 122 K HA 0.134 nan 4.320 nan 0.000 0.214 122 K C -0.688 175.879 176.600 -0.055 0.000 1.575 122 K CA 0.245 56.508 56.287 -0.040 0.000 1.042 122 K CB 2.661 35.139 32.500 -0.036 0.000 1.338 122 K HN 0.276 8.791 8.250 -0.024 -0.279 0.590 123 S N 0.556 116.228 115.700 -0.048 0.000 2.722 123 S HA 0.360 nan 4.470 nan 0.000 0.292 123 S C -1.557 173.013 174.600 -0.051 0.000 1.135 123 S CA -0.601 57.566 58.200 -0.055 0.000 1.003 123 S CB 2.043 65.217 63.200 -0.043 0.000 1.067 123 S HN -0.175 8.395 8.310 -0.036 -0.281 0.546 124 c N 0.942 119.513 118.600 -0.049 0.000 2.369 124 c HA 0.469 nan 4.570 nan 0.000 0.322 124 c C -1.363 172.798 174.090 0.119 0.000 1.258 124 c CA -1.096 55.235 56.329 0.004 0.000 1.487 124 c CB 1.221 43.663 42.510 -0.112 0.000 2.165 124 c HN 0.414 8.609 8.230 -0.058 0.000 0.483 125 K N 3.027 123.497 120.400 0.116 0.000 2.259 125 K HA 0.595 nan 4.320 nan 0.000 0.252 125 K C -2.603 174.000 176.600 0.004 0.000 0.936 125 K CA -2.964 53.361 56.287 0.063 0.000 0.810 125 K CB 1.393 33.891 32.500 -0.004 0.000 1.143 125 K HN 0.619 8.921 8.250 0.085 0.000 0.427 126 P HA 0.036 nan 4.420 nan 0.000 0.272 126 P C -1.120 176.040 177.300 -0.232 0.000 1.243 126 P CA 0.557 63.397 63.100 -0.433 0.000 0.803 126 P CB 0.380 31.835 31.700 -0.408 0.000 0.974 127 A N -3.393 119.288 122.820 -0.232 0.000 2.816 127 A HA 0.067 nan 4.320 nan 0.000 0.208 127 A C -1.760 175.753 177.584 -0.118 0.000 0.896 127 A CA 0.422 52.383 52.037 -0.128 0.000 1.183 127 A CB 1.193 20.148 19.000 -0.076 0.000 1.249 127 A HN -0.110 7.850 8.150 -0.317 0.000 0.484 128 V N -0.610 119.210 119.914 -0.156 0.000 2.915 128 V HA 0.264 nan 4.120 nan 0.000 0.273 128 V C -2.249 173.739 176.094 -0.176 0.000 1.538 128 V CA -1.405 60.827 62.300 -0.113 0.000 0.946 128 V CB 2.219 33.999 31.823 -0.072 0.000 1.183 128 V HN 0.019 8.086 8.190 -0.206 0.000 0.446 129 P HA -0.155 nan 4.420 nan 0.000 0.218 129 P C -0.695 176.154 177.300 -0.752 0.000 1.146 129 P CA 1.339 64.190 63.100 -0.415 0.000 0.820 129 P CB 0.402 31.916 31.700 -0.310 0.000 0.778 130 F N -1.562 118.349 119.950 -0.064 0.000 2.564 130 F HA 0.330 nan 4.527 nan 0.000 0.368 130 F C -2.327 173.431 175.800 -0.069 0.000 1.127 130 F CA -2.999 54.972 58.000 -0.048 0.000 1.170 130 F CB 0.439 39.428 39.000 -0.019 0.000 1.397 130 F HN -0.576 7.711 8.300 0.027 0.028 0.493 131 P HA 0.182 nan 4.420 nan 0.000 0.274 131 P C -1.236 176.121 177.300 0.094 0.000 1.231 131 P CA -0.807 62.203 63.100 -0.151 0.000 0.790 131 P CB 0.622 31.945 31.700 -0.628 0.000 0.951 132 C N -0.749 118.669 119.300 0.197 0.000 2.642 132 C HA -0.023 nan 4.460 nan 0.000 0.420 132 C C 1.992 177.127 174.990 0.241 0.000 1.349 132 C CA -0.686 58.461 59.018 0.216 0.000 1.821 132 C CB -1.184 26.675 27.740 0.199 0.000 2.637 132 C HN 0.746 9.099 8.230 0.205 0.000 0.605 133 G N 4.849 113.748 108.800 0.165 0.000 2.153 133 G HA2 -0.377 nan 3.960 nan 0.000 0.252 133 G HA3 -0.377 nan 3.960 nan 0.000 0.252 133 G C -0.787 174.206 174.900 0.156 0.000 0.994 133 G CA 0.525 45.708 45.100 0.139 0.000 0.698 133 G HN 0.472 8.845 8.290 0.138 0.000 0.521 134 R N -0.405 120.208 120.500 0.188 0.000 2.387 134 R HA 0.277 nan 4.340 nan 0.000 0.314 134 R C -1.086 175.314 176.300 0.166 0.000 0.958 134 R CA -1.196 55.040 56.100 0.227 0.000 0.846 134 R CB 1.590 32.069 30.300 0.297 0.000 1.147 134 R HN -0.463 7.922 8.270 0.191 0.000 0.447 135 V N 5.677 125.631 119.914 0.066 0.000 2.425 135 V HA 0.071 nan 4.120 nan 0.000 0.276 135 V C -0.126 175.872 176.094 -0.160 0.000 1.017 135 V CA 0.233 62.492 62.300 -0.069 0.000 1.062 135 V CB 0.630 32.366 31.823 -0.146 0.000 0.997 135 V HN 0.642 8.885 8.190 0.088 0.000 0.476 136 S N 8.726 124.433 115.700 0.012 0.000 2.406 136 S HA -0.149 nan 4.470 nan 0.000 0.224 136 S C 1.530 176.146 174.600 0.026 0.000 1.030 136 S CA 2.625 60.881 58.200 0.093 0.000 0.958 136 S CB -0.327 63.007 63.200 0.223 0.000 0.811 136 S HN 0.241 8.579 8.310 0.047 0.000 0.489 137 V N -1.764 118.142 119.914 -0.013 0.000 2.343 137 V HA -0.099 nan 4.120 nan 0.000 0.247 137 V C 0.974 177.045 176.094 -0.038 0.000 1.051 137 V CA 2.861 65.154 62.300 -0.011 0.000 1.036 137 V CB -1.149 30.665 31.823 -0.014 0.000 0.654 137 V HN -0.009 8.170 8.190 -0.018 0.000 0.451 138 S N -0.890 114.738 115.700 -0.120 0.000 2.356 138 S HA -0.215 nan 4.470 nan 0.000 0.223 138 S C 1.825 176.400 174.600 -0.042 0.000 1.032 138 S CA 3.266 61.396 58.200 -0.117 0.000 1.005 138 S CB -0.271 62.809 63.200 -0.200 0.000 0.867 138 S HN 0.007 8.215 8.310 -0.169 0.000 0.449 139 H N 1.937 121.021 119.070 0.022 0.000 2.293 139 H HA -0.212 nan 4.556 nan 0.000 0.300 139 H C 1.002 176.336 175.328 0.010 0.000 1.082 139 H CA 2.265 58.322 56.048 0.015 0.000 1.308 139 H CB 0.340 30.110 29.762 0.014 0.000 1.375 139 H HN -0.658 7.407 8.280 -0.359 0.000 0.495 140 S N 0.014 115.798 115.700 0.140 0.000 2.525 140 S HA -0.112 nan 4.470 nan 0.000 0.285 140 S C -1.073 173.559 174.600 0.054 0.000 1.283 140 S CA 0.545 58.793 58.200 0.081 0.000 1.072 140 S CB -0.058 63.187 63.200 0.075 0.000 0.867 140 S HN -0.513 7.878 8.310 0.135 0.000 0.492 141 P HA 0.030 nan 4.420 nan 0.000 0.217 141 P C -1.127 176.193 177.300 0.033 0.000 1.153 141 P CA 1.328 64.448 63.100 0.033 0.000 0.843 141 P CB 0.863 32.576 31.700 0.021 0.000 0.794 142 T N -1.006 113.569 114.554 0.036 0.000 4.205 142 T HA 0.196 nan 4.350 nan 0.000 0.219 142 T C -1.073 173.651 174.700 0.040 0.000 0.975 142 T CA -0.036 62.083 62.100 0.032 0.000 1.484 142 T CB 0.000 68.875 68.868 0.012 0.000 0.805 142 T HN -0.243 8.018 8.240 0.035 0.000 0.616 143 T N 0.054 114.645 114.554 0.061 0.000 2.724 143 T HA 0.566 nan 4.350 nan 0.000 0.274 143 T C -2.091 172.654 174.700 0.075 0.000 0.984 143 T CA -1.931 60.201 62.100 0.053 0.000 1.024 143 T CB 2.955 71.844 68.868 0.036 0.000 1.320 143 T HN 0.408 8.585 8.240 0.081 0.112 0.555 144 L N -2.575 118.678 121.223 0.050 0.000 2.506 144 L HA 0.382 nan 4.340 nan 0.000 0.257 144 L C -1.624 175.258 176.870 0.020 0.000 0.964 144 L CA -0.458 54.411 54.840 0.048 0.000 0.836 144 L CB 3.477 45.568 42.059 0.054 0.000 1.384 144 L HN -0.095 8.156 8.230 0.035 0.000 0.410 145 T N 5.707 120.264 114.554 0.005 0.000 2.775 145 T HA 0.170 nan 4.350 nan 0.000 0.281 145 T C -0.168 174.535 174.700 0.005 0.000 0.908 145 T CA 0.493 62.592 62.100 -0.002 0.000 1.123 145 T CB -1.062 67.798 68.868 -0.013 0.000 0.879 145 T HN 0.055 8.295 8.240 -0.000 0.000 0.547 146 R N 0.000 120.504 120.500 0.006 0.000 2.786 146 R HA 0.000 nan 4.340 nan 0.000 0.208 146 R CA 0.000 56.104 56.100 0.007 0.000 0.921 146 R CB 0.000 30.305 30.300 0.008 0.000 0.687 146 R HN 0.000 8.274 8.270 0.006 0.000 0.535