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 3ff9_1_A DATA FIRST_RESID 74 DATA SEQUENCE McPILWTRNG SHcYYFSMEK KDWNSSLKFc ADKGSHLLTF PDNQGVKLFG DATA SEQUENCE EYLGQDFYWI GLRNIDGWRW EGGPALSLXR ILTNSLIQRc GAIHRNGLQA DATA SEQUENCE SScEVALQWI cKKVLY 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 74 M HA 0.000 nan 4.480 nan 0.000 0.227 74 M C 0.000 176.293 176.300 -0.011 0.000 1.140 74 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 74 M CB 0.000 32.609 32.600 0.015 0.000 1.302 75 c N 2.780 121.395 118.600 0.025 0.000 2.676 75 c HA 0.521 5.157 4.570 0.110 0.000 0.416 75 c C -1.598 172.503 174.090 0.019 0.000 1.299 75 c CA -0.160 56.186 56.329 0.029 0.000 2.048 75 c CB -0.487 42.119 42.510 0.159 0.000 2.713 75 c HN 0.531 nan 8.230 nan 0.000 0.624 76 P HA 0.125 nan 4.420 nan 0.000 0.272 76 P C -0.222 177.176 177.300 0.164 0.000 1.240 76 P CA -0.207 62.861 63.100 -0.055 0.000 0.791 76 P CB 0.422 31.947 31.700 -0.293 0.000 0.978 77 I N 2.032 122.705 120.570 0.172 0.000 2.815 77 I HA -0.110 4.126 4.170 0.110 0.000 0.291 77 I C 1.904 178.259 176.117 0.396 0.000 1.209 77 I CA 0.644 62.080 61.300 0.228 0.000 1.431 77 I CB -0.493 37.602 38.000 0.158 0.000 1.351 77 I HN 0.553 nan 8.210 nan 0.000 0.585 78 L N 2.755 124.178 121.223 0.333 0.000 4.610 78 L HA -0.263 4.143 4.340 0.110 0.000 0.397 78 L C -0.317 176.755 176.870 0.338 0.000 0.806 78 L CA 0.784 55.817 54.840 0.322 0.000 2.169 78 L CB -1.477 40.828 42.059 0.410 0.000 1.402 78 L HN 0.504 nan 8.230 nan 0.000 0.603 79 W N 0.805 122.242 121.300 0.227 0.000 2.332 79 W HA 0.592 5.316 4.660 0.106 0.000 0.351 79 W C 0.699 177.334 176.519 0.195 0.000 1.195 79 W CA -0.093 57.402 57.345 0.250 0.000 1.334 79 W CB 0.810 30.410 29.460 0.233 0.000 1.206 79 W HN -0.300 nan 8.180 nan 0.000 0.637 80 T N 1.837 116.669 114.554 0.463 0.000 2.861 80 T HA 0.446 4.862 4.350 0.110 0.000 0.287 80 T C -0.656 174.281 174.700 0.394 0.000 1.003 80 T CA -0.912 61.395 62.100 0.346 0.000 0.977 80 T CB 1.712 70.767 68.868 0.311 0.000 0.996 80 T HN 0.303 nan 8.240 nan 0.000 0.448 81 R N 2.048 122.706 120.500 0.263 0.000 2.486 81 R HA 0.610 5.015 4.340 0.110 0.000 0.286 81 R C -0.869 175.555 176.300 0.208 0.000 0.999 81 R CA -0.541 55.712 56.100 0.255 0.000 0.993 81 R CB 0.552 30.947 30.300 0.158 0.000 1.084 81 R HN 0.687 nan 8.270 nan 0.000 0.487 82 N N 2.028 120.891 118.700 0.273 0.000 2.697 82 N HA 0.266 5.072 4.740 0.110 0.000 0.271 82 N C -0.375 175.291 175.510 0.259 0.000 1.149 82 N CA 0.738 53.901 53.050 0.188 0.000 0.939 82 N CB 1.563 40.102 38.487 0.086 0.000 1.534 82 N HN 0.886 nan 8.380 nan 0.000 0.556 83 G N 2.281 111.178 108.800 0.163 0.000 2.565 83 G HA2 -0.317 3.709 3.960 0.110 0.000 0.295 83 G HA3 -0.317 3.709 3.960 0.110 0.000 0.295 83 G C 0.545 175.518 174.900 0.123 0.000 1.165 83 G CA 0.626 45.819 45.100 0.155 0.000 0.977 83 G HN 1.480 nan 8.290 nan 0.000 0.546 84 S N 0.392 116.161 115.700 0.114 0.000 2.575 84 S HA 0.578 5.114 4.470 0.110 0.000 0.237 84 S C 0.337 174.751 174.600 -0.311 0.000 0.975 84 S CA 0.605 58.752 58.200 -0.089 0.000 0.960 84 S CB 0.187 63.286 63.200 -0.167 0.000 0.822 84 S HN 0.913 nan 8.310 nan 0.000 0.472 85 H N -0.671 118.437 119.070 0.063 0.000 2.894 85 H HA 0.677 5.301 4.556 0.113 0.000 0.368 85 H C -0.929 174.411 175.328 0.021 0.000 1.181 85 H CA -0.761 55.263 56.048 -0.040 0.000 1.146 85 H CB 1.307 30.936 29.762 -0.223 0.000 1.839 85 H HN 0.218 nan 8.280 nan 0.000 0.557 86 c N 2.032 120.675 118.600 0.072 0.000 2.382 86 c HA 0.521 5.157 4.570 0.110 0.000 0.327 86 c C -0.953 173.283 174.090 0.243 0.000 1.250 86 c CA -0.771 55.709 56.329 0.252 0.000 1.707 86 c CB -0.737 41.900 42.510 0.211 0.000 2.272 86 c HN 0.599 nan 8.230 nan 0.000 0.506 87 Y N 0.549 121.113 120.300 0.439 0.000 2.485 87 Y HA 0.524 5.138 4.550 0.108 0.000 0.345 87 Y C -0.375 175.482 175.900 -0.071 0.000 0.998 87 Y CA -0.792 57.408 58.100 0.166 0.000 1.059 87 Y CB 1.092 39.532 38.460 -0.034 0.000 1.234 87 Y HN 0.689 nan 8.280 nan 0.000 0.461 88 Y N 2.813 122.753 120.300 -0.601 0.000 2.331 88 Y HA 0.588 5.203 4.550 0.108 0.000 0.334 88 Y C -1.897 173.587 175.900 -0.693 0.000 0.960 88 Y CA -1.506 56.018 58.100 -0.960 0.000 1.130 88 Y CB 0.609 38.022 38.460 -1.745 0.000 1.164 88 Y HN 0.507 nan 8.280 nan 0.000 0.458 89 F N 4.973 124.411 119.950 -0.854 0.000 2.361 89 F HA 0.339 4.926 4.527 0.100 0.000 0.364 89 F C 0.572 175.778 175.800 -0.989 0.000 1.117 89 F CA -0.691 56.922 58.000 -0.643 0.000 1.071 89 F CB 1.256 40.012 39.000 -0.405 0.000 1.188 89 F HN 0.537 nan 8.300 nan 0.000 0.464 90 S N 2.807 117.971 115.700 -0.893 0.000 2.600 90 S HA 0.237 4.773 4.470 0.110 0.000 0.265 90 S C 0.668 174.944 174.600 -0.540 0.000 1.325 90 S CA -0.555 57.019 58.200 -1.042 0.000 1.002 90 S CB 1.244 63.213 63.200 -2.052 0.000 0.921 90 S HN 0.706 nan 8.310 nan 0.000 0.554 91 M N 0.700 120.050 119.600 -0.416 0.000 2.730 91 M HA 0.375 4.921 4.480 0.110 0.000 0.258 91 M C 0.582 176.778 176.300 -0.173 0.000 1.279 91 M CA 0.691 55.860 55.300 -0.219 0.000 1.183 91 M CB -0.407 32.114 32.600 -0.131 0.000 1.291 91 M HN 0.827 nan 8.290 nan 0.000 0.518 92 E N 0.772 120.877 120.200 -0.160 0.000 2.391 92 E HA 0.166 4.582 4.350 0.110 0.000 0.255 92 E C -0.529 176.113 176.600 0.071 0.000 1.187 92 E CA 0.034 56.439 56.400 0.008 0.000 0.941 92 E CB 0.668 30.464 29.700 0.160 0.000 1.010 92 E HN 0.130 nan 8.360 nan 0.000 0.458 93 K N 1.600 122.121 120.400 0.201 0.000 2.270 93 K HA 0.446 4.832 4.320 0.110 0.000 0.255 93 K C -0.606 176.208 176.600 0.357 0.000 0.936 93 K CA -0.571 55.880 56.287 0.272 0.000 0.809 93 K CB 1.848 34.422 32.500 0.123 0.000 1.131 93 K HN 0.248 nan 8.250 nan 0.000 0.427 94 K N 1.307 121.971 120.400 0.439 0.000 2.482 94 K HA 0.174 4.559 4.320 0.110 0.000 0.257 94 K C -1.053 175.763 176.600 0.360 0.000 0.969 94 K CA -1.012 55.420 56.287 0.243 0.000 0.842 94 K CB 1.564 34.010 32.500 -0.090 0.000 1.359 94 K HN 0.715 nan 8.250 nan 0.000 0.441 95 D N -0.554 119.985 120.400 0.233 0.000 2.384 95 D HA -0.054 4.652 4.640 0.110 0.000 0.244 95 D C 0.831 177.131 176.300 -0.001 0.000 1.251 95 D CA -0.306 53.875 54.000 0.301 0.000 0.961 95 D CB 0.355 41.256 40.800 0.168 0.000 1.116 95 D HN 0.598 nan 8.370 nan 0.000 0.484 96 W N 0.432 121.382 121.300 -0.584 0.000 2.335 96 W HA -0.191 4.532 4.660 0.105 0.000 0.311 96 W C 1.798 178.038 176.519 -0.465 0.000 1.213 96 W CA 1.732 58.484 57.345 -0.989 0.000 1.274 96 W CB -0.233 28.490 29.460 -1.229 0.000 1.148 96 W HN 0.292 nan 8.180 nan 0.000 0.498 97 N N -0.137 118.591 118.700 0.046 0.000 2.104 97 N HA -0.180 4.626 4.740 0.110 0.000 0.190 97 N C 1.750 177.134 175.510 -0.210 0.000 1.024 97 N CA 2.095 55.150 53.050 0.008 0.000 0.853 97 N CB -1.022 37.498 38.487 0.055 0.000 1.008 97 N HN 0.093 nan 8.380 nan 0.000 0.424 98 S N 0.227 115.803 115.700 -0.207 0.000 2.406 98 S HA 0.014 4.550 4.470 0.110 0.000 0.228 98 S C 2.133 176.457 174.600 -0.459 0.000 1.020 98 S CA 0.588 58.641 58.200 -0.245 0.000 0.965 98 S CB -0.063 63.043 63.200 -0.157 0.000 0.798 98 S HN 0.294 nan 8.310 nan 0.000 0.488 99 S N 1.786 117.102 115.700 -0.640 0.000 2.368 99 S HA -0.013 4.522 4.470 0.110 0.000 0.224 99 S C 1.809 175.944 174.600 -0.775 0.000 1.029 99 S CA 0.788 58.377 58.200 -1.018 0.000 0.988 99 S CB -0.402 62.367 63.200 -0.719 0.000 0.838 99 S HN 0.387 nan 8.310 nan 0.000 0.462 100 L N 2.117 122.889 121.223 -0.752 0.000 2.017 100 L HA -0.084 4.322 4.340 0.110 0.000 0.208 100 L C 1.954 178.639 176.870 -0.308 0.000 1.073 100 L CA 1.857 56.349 54.840 -0.579 0.000 0.745 100 L CB -0.546 41.099 42.059 -0.691 0.000 0.894 100 L HN 0.096 nan 8.230 nan 0.000 0.432 101 K N -1.214 119.027 120.400 -0.265 0.000 2.063 101 K HA -0.242 4.143 4.320 0.110 0.000 0.208 101 K C 2.098 178.616 176.600 -0.136 0.000 1.048 101 K CA 1.954 58.142 56.287 -0.165 0.000 0.928 101 K CB -0.555 31.866 32.500 -0.132 0.000 0.713 101 K HN 0.325 nan 8.250 nan 0.000 0.442 102 F N 1.552 121.308 119.950 -0.324 0.000 2.069 102 F HA -0.292 4.300 4.527 0.108 0.000 0.298 102 F C 2.211 177.927 175.800 -0.140 0.000 1.113 102 F CA 1.362 59.217 58.000 -0.243 0.000 1.214 102 F CB -0.485 38.289 39.000 -0.376 0.000 0.978 102 F HN 0.013 nan 8.300 nan 0.000 0.474 103 c N 0.613 119.305 118.600 0.153 0.000 2.429 103 c HA -0.105 4.530 4.570 0.110 0.000 0.277 103 c C 3.167 177.229 174.090 -0.047 0.000 1.262 103 c CA 1.105 57.523 56.329 0.149 0.000 1.733 103 c CB -1.897 40.694 42.510 0.135 0.000 2.010 103 c HN 0.650 nan 8.230 nan 0.000 0.483 104 A N 0.892 123.639 122.820 -0.122 0.000 1.908 104 A HA -0.217 4.169 4.320 0.110 0.000 0.218 104 A C 1.702 179.186 177.584 -0.166 0.000 1.181 104 A CA 2.215 54.150 52.037 -0.170 0.000 0.627 104 A CB -0.576 18.343 19.000 -0.136 0.000 0.818 104 A HN 0.559 nan 8.150 nan 0.000 0.445 105 D N -0.332 119.957 120.400 -0.184 0.000 2.269 105 D HA -0.040 4.666 4.640 0.110 0.000 0.208 105 D C 0.998 177.165 176.300 -0.221 0.000 0.963 105 D CA 0.809 54.688 54.000 -0.202 0.000 0.864 105 D CB -0.020 40.636 40.800 -0.240 0.000 0.936 105 D HN 0.238 nan 8.370 nan 0.000 0.505 106 K N 0.030 120.296 120.400 -0.225 0.000 2.500 106 K HA 0.253 4.639 4.320 0.110 0.000 0.206 106 K C 0.799 177.324 176.600 -0.126 0.000 1.034 106 K CA -0.109 56.082 56.287 -0.161 0.000 1.179 106 K CB 0.509 32.971 32.500 -0.063 0.000 0.884 106 K HN 0.070 nan 8.250 nan 0.000 0.493 107 G N 2.214 110.925 108.800 -0.149 0.000 2.273 107 G HA2 -0.291 3.734 3.960 0.110 0.000 0.280 107 G HA3 -0.291 3.734 3.960 0.110 0.000 0.280 107 G C 0.094 174.900 174.900 -0.156 0.000 1.047 107 G CA 0.813 45.815 45.100 -0.162 0.000 0.869 107 G HN 0.471 nan 8.290 nan 0.000 0.502 108 S N -1.333 114.280 115.700 -0.146 0.000 2.794 108 S HA 0.874 5.410 4.470 0.110 0.000 0.299 108 S C -0.758 173.673 174.600 -0.281 0.000 1.179 108 S CA -1.018 57.135 58.200 -0.077 0.000 0.838 108 S CB 2.231 65.583 63.200 0.253 0.000 1.206 108 S HN 0.477 nan 8.310 nan 0.000 0.523 109 H N -0.617 118.503 119.070 0.084 0.000 2.865 109 H HA 0.500 5.122 4.556 0.110 0.000 0.372 109 H C -0.713 174.659 175.328 0.073 0.000 1.173 109 H CA -0.662 55.420 56.048 0.057 0.000 1.147 109 H CB 1.433 31.218 29.762 0.039 0.000 1.805 109 H HN 0.483 nan 8.280 nan 0.000 0.553 110 L N 1.680 123.019 121.223 0.193 0.000 2.461 110 L HA -0.058 4.348 4.340 0.110 0.000 0.272 110 L C 0.446 177.424 176.870 0.180 0.000 1.197 110 L CA -0.424 54.518 54.840 0.171 0.000 0.836 110 L CB 0.239 42.363 42.059 0.109 0.000 1.105 110 L HN 0.281 nan 8.230 nan 0.000 0.477 111 L N 3.108 124.418 121.223 0.146 0.000 2.578 111 L HA 0.065 4.471 4.340 0.110 0.000 0.279 111 L C 0.339 177.245 176.870 0.060 0.000 1.227 111 L CA 0.840 55.683 54.840 0.004 0.000 0.900 111 L CB 0.265 42.292 42.059 -0.054 0.000 1.144 111 L HN 0.774 nan 8.230 nan 0.000 0.496 112 T N 1.370 115.794 114.554 -0.217 0.000 2.896 112 T HA 0.622 5.037 4.350 0.110 0.000 0.297 112 T C -0.485 173.657 174.700 -0.930 0.000 1.108 112 T CA -0.533 61.409 62.100 -0.264 0.000 1.004 112 T CB 1.076 69.915 68.868 -0.048 0.000 1.159 112 T HN 0.238 nan 8.240 nan 0.000 0.499 113 F N 2.013 121.097 119.950 -1.443 0.000 2.531 113 F HA 0.380 4.944 4.527 0.062 0.000 0.333 113 F C -1.600 173.442 175.800 -1.262 0.000 1.292 113 F CA -2.311 55.037 58.000 -1.087 0.000 1.184 113 F CB 1.540 40.042 39.000 -0.829 0.000 1.426 113 F HN 0.400 nan 8.300 nan 0.000 0.559 114 P HA -0.196 nan 4.420 nan 0.000 0.217 114 P C 0.630 177.819 177.300 -0.185 0.000 1.148 114 P CA 1.568 64.420 63.100 -0.414 0.000 0.828 114 P CB 0.452 32.026 31.700 -0.209 0.000 0.783 115 D N -0.803 119.513 120.400 -0.139 0.000 2.363 115 D HA -0.041 4.665 4.640 0.110 0.000 0.220 115 D C 0.539 176.853 176.300 0.023 0.000 0.994 115 D CA 0.266 54.250 54.000 -0.027 0.000 0.890 115 D CB -0.806 39.989 40.800 -0.008 0.000 0.906 115 D HN 0.101 nan 8.370 nan 0.000 0.530 116 N N 0.969 119.671 118.700 0.003 0.000 2.754 116 N HA -0.178 4.628 4.740 0.110 0.000 0.248 116 N C -0.815 174.753 175.510 0.097 0.000 1.093 116 N CA 0.698 53.830 53.050 0.137 0.000 0.699 116 N CB -0.924 37.694 38.487 0.217 0.000 1.016 116 N HN 0.471 nan 8.380 nan 0.000 0.552 117 Q N -1.392 118.455 119.800 0.079 0.000 2.418 117 Q HA 0.542 4.948 4.340 0.110 0.000 0.282 117 Q C 0.858 176.941 176.000 0.139 0.000 1.044 117 Q CA -0.234 55.617 55.803 0.079 0.000 0.813 117 Q CB 2.078 30.861 28.738 0.075 0.000 1.428 117 Q HN 0.148 nan 8.270 nan 0.000 0.402 118 G N -0.075 108.784 108.800 0.098 0.000 2.175 118 G HA2 -0.272 3.754 3.960 0.110 0.000 0.244 118 G HA3 -0.272 3.754 3.960 0.110 0.000 0.244 118 G C 0.583 175.536 174.900 0.089 0.000 0.982 118 G CA 0.327 45.537 45.100 0.182 0.000 0.641 118 G HN 0.413 nan 8.290 nan 0.000 0.527 119 V N 0.568 120.308 119.914 -0.290 0.000 2.261 119 V HA -0.167 4.019 4.120 0.110 0.000 0.246 119 V C 2.904 178.957 176.094 -0.067 0.000 1.047 119 V CA 2.882 64.873 62.300 -0.515 0.000 1.015 119 V CB -0.429 31.092 31.823 -0.503 0.000 0.642 119 V HN 0.406 nan 8.190 nan 0.000 0.446 120 K N 0.325 120.708 120.400 -0.029 0.000 2.026 120 K HA -0.091 4.294 4.320 0.110 0.000 0.208 120 K C 1.963 178.579 176.600 0.026 0.000 1.048 120 K CA 1.430 57.719 56.287 0.003 0.000 0.929 120 K CB -0.829 31.664 32.500 -0.011 0.000 0.713 120 K HN 0.315 nan 8.250 nan 0.000 0.439 121 L N -0.566 120.694 121.223 0.061 0.000 2.012 121 L HA -0.178 4.227 4.340 0.110 0.000 0.210 121 L C 2.290 179.235 176.870 0.126 0.000 1.073 121 L CA 1.315 56.195 54.840 0.067 0.000 0.748 121 L CB -0.403 41.728 42.059 0.120 0.000 0.891 121 L HN 0.098 nan 8.230 nan 0.000 0.431 122 F N 0.883 120.930 119.950 0.161 0.000 2.171 122 F HA -0.110 4.460 4.527 0.073 0.000 0.300 122 F C 2.243 178.168 175.800 0.209 0.000 1.090 122 F CA 1.407 59.583 58.000 0.294 0.000 1.293 122 F CB -0.496 38.765 39.000 0.436 0.000 1.013 122 F HN -0.008 nan 8.300 nan 0.000 0.486 123 G N -0.500 108.439 108.800 0.232 0.000 2.501 123 G HA2 -0.252 3.773 3.960 0.110 0.000 0.220 123 G HA3 -0.252 3.773 3.960 0.110 0.000 0.220 123 G C 1.394 176.228 174.900 -0.110 0.000 1.114 123 G CA 0.702 45.859 45.100 0.095 0.000 0.757 123 G HN 0.460 nan 8.290 nan 0.000 0.559 124 E N -0.868 119.184 120.200 -0.247 0.000 2.472 124 E HA -0.038 4.378 4.350 0.110 0.000 0.200 124 E C 0.860 177.109 176.600 -0.586 0.000 1.046 124 E CA 0.388 56.532 56.400 -0.426 0.000 0.871 124 E CB -0.042 29.347 29.700 -0.518 0.000 0.806 124 E HN 0.693 nan 8.360 nan 0.000 0.533 125 Y N -0.633 119.493 120.300 -0.290 0.000 2.467 125 Y HA 0.138 4.741 4.550 0.088 0.000 0.250 125 Y C 0.384 176.082 175.900 -0.338 0.000 1.155 125 Y CA -0.203 57.682 58.100 -0.358 0.000 1.249 125 Y CB 0.586 38.727 38.460 -0.530 0.000 1.146 125 Y HN -0.093 nan 8.280 nan 0.000 0.524 126 L N -1.639 119.502 121.223 -0.136 0.000 2.299 126 L HA 0.751 5.157 4.340 0.110 0.000 0.268 126 L C 0.866 177.698 176.870 -0.065 0.000 1.012 126 L CA -0.566 54.239 54.840 -0.059 0.000 0.816 126 L CB 0.681 42.779 42.059 0.065 0.000 1.355 126 L HN 0.101 nan 8.230 nan 0.000 0.457 127 G N -0.877 107.913 108.800 -0.018 0.000 3.211 127 G HA2 0.288 4.313 3.960 0.110 0.000 0.167 127 G HA3 0.288 4.313 3.960 0.110 0.000 0.167 127 G C 0.188 175.014 174.900 -0.123 0.000 1.212 127 G CA -0.006 45.046 45.100 -0.080 0.000 0.928 127 G HN 0.447 nan 8.290 nan 0.000 0.607 128 Q N 0.267 119.983 119.800 -0.139 0.000 2.331 128 Q HA 0.050 4.456 4.340 0.110 0.000 0.203 128 Q C -0.064 175.814 176.000 -0.203 0.000 0.944 128 Q CA 0.488 56.187 55.803 -0.175 0.000 0.892 128 Q CB 0.016 28.675 28.738 -0.132 0.000 0.983 128 Q HN 0.406 nan 8.270 nan 0.000 0.482 129 D N 0.590 120.895 120.400 -0.158 0.000 2.414 129 D HA 0.084 4.790 4.640 0.110 0.000 0.242 129 D C -0.289 175.875 176.300 -0.226 0.000 1.129 129 D CA 0.263 54.142 54.000 -0.201 0.000 0.885 129 D CB 0.339 41.031 40.800 -0.180 0.000 1.198 129 D HN -0.133 nan 8.370 nan 0.000 0.437 130 F N 1.154 121.033 119.950 -0.119 0.000 2.375 130 F HA 0.285 4.876 4.527 0.106 0.000 0.333 130 F C 0.160 175.823 175.800 -0.228 0.000 1.104 130 F CA -0.312 57.620 58.000 -0.113 0.000 1.149 130 F CB 0.634 39.478 39.000 -0.259 0.000 1.190 130 F HN 0.178 nan 8.300 nan 0.000 0.533 131 Y N 0.205 120.652 120.300 0.245 0.000 2.391 131 Y HA 0.271 4.890 4.550 0.116 0.000 0.341 131 Y C -0.691 175.404 175.900 0.325 0.000 0.965 131 Y CA -1.443 56.791 58.100 0.223 0.000 1.067 131 Y CB 1.098 39.732 38.460 0.289 0.000 1.199 131 Y HN 0.550 nan 8.280 nan 0.000 0.450 132 W N 5.837 127.419 121.300 0.470 0.000 2.181 132 W HA 0.473 5.197 4.660 0.105 0.000 0.335 132 W C 0.134 176.908 176.519 0.425 0.000 1.310 132 W CA -0.278 57.323 57.345 0.428 0.000 1.226 132 W CB 0.555 30.209 29.460 0.324 0.000 1.155 132 W HN 0.364 nan 8.180 nan 0.000 0.565 133 I N -0.281 120.760 120.570 0.785 0.000 3.239 133 I HA 0.740 4.976 4.170 0.110 0.000 0.314 133 I C 0.623 177.139 176.117 0.664 0.000 1.126 133 I CA -1.543 60.123 61.300 0.611 0.000 0.973 133 I CB 1.555 39.926 38.000 0.619 0.000 1.252 133 I HN 0.455 nan 8.210 nan 0.000 0.463 134 G N 2.575 111.722 108.800 0.578 0.000 3.197 134 G HA2 0.434 4.460 3.960 0.110 0.000 0.257 134 G HA3 0.434 4.460 3.960 0.110 0.000 0.257 134 G C -0.802 174.464 174.900 0.611 0.000 0.835 134 G CA 0.128 45.593 45.100 0.608 0.000 2.001 134 G HN 0.401 nan 8.290 nan 0.000 0.625 135 L N 0.663 122.194 121.223 0.513 0.000 2.438 135 L HA 0.727 5.133 4.340 0.110 0.000 0.270 135 L C -0.525 176.417 176.870 0.120 0.000 0.972 135 L CA -0.862 54.088 54.840 0.184 0.000 0.831 135 L CB 1.595 43.629 42.059 -0.040 0.000 1.273 135 L HN 0.323 nan 8.230 nan 0.000 0.405 136 R N 2.679 123.154 120.500 -0.041 0.000 2.764 136 R HA 0.457 4.862 4.340 0.110 0.000 0.270 136 R C -1.331 174.592 176.300 -0.628 0.000 1.014 136 R CA -1.077 54.794 56.100 -0.382 0.000 0.904 136 R CB 1.752 31.669 30.300 -0.638 0.000 1.236 136 R HN 0.568 nan 8.270 nan 0.000 0.466 137 N N 1.768 119.793 118.700 -1.126 0.000 2.800 137 N HA 0.285 5.091 4.740 0.110 0.000 0.240 137 N C -0.235 174.866 175.510 -0.681 0.000 1.096 137 N CA -0.149 52.182 53.050 -1.198 0.000 0.877 137 N CB 0.451 37.723 38.487 -2.026 0.000 1.138 137 N HN 0.637 nan 8.380 nan 0.000 0.509 138 I N -0.232 120.063 120.570 -0.458 0.000 3.616 138 I HA 0.188 4.423 4.170 0.110 0.000 0.296 138 I C 0.119 176.093 176.117 -0.238 0.000 1.226 138 I CA 0.305 61.415 61.300 -0.317 0.000 1.394 138 I CB 0.456 38.304 38.000 -0.253 0.000 1.171 138 I HN 0.305 nan 8.210 nan 0.000 0.442 139 D N 1.060 121.328 120.400 -0.220 0.000 3.078 139 D HA 0.351 5.057 4.640 0.110 0.000 0.363 139 D C -0.116 176.096 176.300 -0.146 0.000 1.391 139 D CA 0.252 54.162 54.000 -0.151 0.000 0.754 139 D CB 0.252 40.992 40.800 -0.101 0.000 1.238 139 D HN 0.318 nan 8.370 nan 0.000 0.500 140 G N 0.487 109.157 108.800 -0.217 0.000 2.675 140 G HA2 -0.191 3.835 3.960 0.110 0.000 0.686 140 G HA3 -0.191 3.835 3.960 0.110 0.000 0.686 140 G C -0.584 174.181 174.900 -0.225 0.000 1.215 140 G CA -0.796 44.198 45.100 -0.176 0.000 0.777 140 G HN 0.117 nan 8.290 nan 0.000 0.638 141 W N 1.379 122.607 121.300 -0.119 0.000 2.397 141 W HA 0.566 5.294 4.660 0.115 0.000 0.327 141 W C 1.304 177.706 176.519 -0.196 0.000 1.421 141 W CA 0.114 57.352 57.345 -0.178 0.000 1.288 141 W CB 0.474 29.819 29.460 -0.191 0.000 1.312 141 W HN 0.557 nan 8.180 nan 0.000 0.559 142 R N 2.199 122.690 120.500 -0.015 0.000 2.698 142 R HA 0.312 4.718 4.340 0.110 0.000 0.275 142 R C -1.373 174.886 176.300 -0.068 0.000 1.001 142 R CA -1.190 54.885 56.100 -0.042 0.000 0.896 142 R CB 1.466 31.771 30.300 0.008 0.000 1.218 142 R HN 0.391 nan 8.270 nan 0.000 0.462 143 W N 1.933 123.318 121.300 0.141 0.000 2.238 143 W HA 0.130 4.865 4.660 0.126 0.000 0.321 143 W C 0.526 177.111 176.519 0.111 0.000 1.293 143 W CA -0.227 57.207 57.345 0.148 0.000 1.204 143 W CB 0.565 30.102 29.460 0.129 0.000 1.167 143 W HN 0.155 nan 8.180 nan 0.000 0.553 144 E N 1.755 122.178 120.200 0.373 0.000 2.480 144 E HA 0.054 4.470 4.350 0.110 0.000 0.258 144 E C 1.173 177.874 176.600 0.167 0.000 0.984 144 E CA 1.162 57.712 56.400 0.251 0.000 0.930 144 E CB 0.515 30.401 29.700 0.310 0.000 0.936 144 E HN 0.825 nan 8.360 nan 0.000 0.466 145 G N 2.556 111.419 108.800 0.104 0.000 2.180 145 G HA2 -0.277 3.749 3.960 0.110 0.000 0.263 145 G HA3 -0.277 3.749 3.960 0.110 0.000 0.263 145 G C 0.599 175.531 174.900 0.054 0.000 0.989 145 G CA 0.601 45.724 45.100 0.038 0.000 0.692 145 G HN 0.808 nan 8.290 nan 0.000 0.526 146 G N -0.734 108.147 108.800 0.135 0.000 3.176 146 G HA2 0.844 4.870 3.960 0.110 0.000 0.272 146 G HA3 0.844 4.870 3.960 0.110 0.000 0.272 146 G C -2.405 172.612 174.900 0.194 0.000 1.349 146 G CA -0.291 44.901 45.100 0.154 0.000 0.953 146 G HN 0.282 nan 8.290 nan 0.000 0.559 147 P HA 0.418 nan 4.420 nan 0.000 0.277 147 P C -0.009 177.456 177.300 0.274 0.000 1.276 147 P CA 0.026 63.252 63.100 0.210 0.000 0.788 147 P CB 0.747 32.557 31.700 0.183 0.000 1.114 148 A N 0.331 123.262 122.820 0.185 0.000 2.406 148 A HA 0.231 4.616 4.320 0.110 0.000 0.243 148 A C 0.077 177.766 177.584 0.176 0.000 1.082 148 A CA -0.338 51.782 52.037 0.139 0.000 0.786 148 A CB -0.543 18.515 19.000 0.097 0.000 1.029 148 A HN 0.573 nan 8.150 nan 0.000 0.495 149 L N 2.108 123.362 121.223 0.052 0.000 2.360 149 L HA 0.330 4.736 4.340 0.110 0.000 0.276 149 L C 1.210 178.137 176.870 0.095 0.000 1.121 149 L CA 1.388 56.234 54.840 0.010 0.000 0.845 149 L CB 0.986 42.934 42.059 -0.184 0.000 1.143 149 L HN 0.691 nan 8.230 nan 0.000 0.452 150 S N 4.294 120.091 115.700 0.162 0.000 2.559 150 S HA 0.346 4.882 4.470 0.110 0.000 0.226 150 S C 0.453 175.100 174.600 0.078 0.000 1.000 150 S CA -0.477 57.789 58.200 0.111 0.000 0.948 150 S CB -0.290 62.985 63.200 0.125 0.000 0.870 150 S HN 0.489 nan 8.310 nan 0.000 0.497 154 I N 4.863 125.263 120.570 -0.284 0.000 2.418 154 I HA 0.430 4.666 4.170 0.110 0.000 0.287 154 I C -0.975 174.969 176.117 -0.289 0.000 1.008 154 I CA -1.393 59.684 61.300 -0.371 0.000 1.104 154 I CB 1.218 38.754 38.000 -0.774 0.000 1.264 154 I HN 0.759 nan 8.210 nan 0.000 0.438 155 L N 7.485 128.608 121.223 -0.167 0.000 2.562 155 L HA 0.208 4.613 4.340 0.110 0.000 0.271 155 L C -0.245 176.551 176.870 -0.125 0.000 1.167 155 L CA 1.093 55.873 54.840 -0.100 0.000 0.917 155 L CB 0.377 42.420 42.059 -0.026 0.000 1.187 155 L HN 0.597 nan 8.230 nan 0.000 0.482 156 T N 4.269 118.772 114.554 -0.086 0.000 2.977 156 T HA 0.258 4.674 4.350 0.110 0.000 0.346 156 T C 1.120 175.821 174.700 0.000 0.000 1.140 156 T CA -0.380 61.700 62.100 -0.032 0.000 1.040 156 T CB 0.247 69.124 68.868 0.015 0.000 1.046 156 T HN 0.592 nan 8.240 nan 0.000 0.494 157 N N 1.337 120.036 118.700 -0.002 0.000 2.270 157 N HA -0.018 4.787 4.740 0.110 0.000 0.181 157 N C 0.776 176.296 175.510 0.016 0.000 1.016 157 N CA 0.327 53.380 53.050 0.005 0.000 0.870 157 N CB 0.289 38.775 38.487 -0.002 0.000 0.979 157 N HN 0.366 nan 8.380 nan 0.000 0.431 158 S N -0.476 115.240 115.700 0.027 0.000 2.538 158 S HA 0.273 4.809 4.470 0.110 0.000 0.288 158 S C 0.378 175.005 174.600 0.046 0.000 1.108 158 S CA -0.713 57.504 58.200 0.029 0.000 0.971 158 S CB 1.523 64.736 63.200 0.021 0.000 1.041 158 S HN 0.069 nan 8.310 nan 0.000 0.483 159 L N 5.481 126.725 121.223 0.036 0.000 2.187 159 L HA 0.055 4.461 4.340 0.110 0.000 0.213 159 L C 1.899 178.780 176.870 0.018 0.000 1.100 159 L CA 1.905 56.767 54.840 0.037 0.000 0.765 159 L CB -0.599 41.471 42.059 0.018 0.000 0.904 159 L HN 0.870 nan 8.230 nan 0.000 0.437 160 I N -3.037 117.537 120.570 0.007 0.000 3.291 160 I HA -0.058 4.178 4.170 0.110 0.000 0.279 160 I C 0.395 176.503 176.117 -0.015 0.000 1.294 160 I CA 0.026 61.316 61.300 -0.017 0.000 1.428 160 I CB -0.631 37.359 38.000 -0.015 0.000 1.070 160 I HN 0.190 nan 8.210 nan 0.000 0.478 161 Q N 2.270 122.090 119.800 0.033 0.000 2.296 161 Q HA 0.303 4.708 4.340 0.110 0.000 0.263 161 Q C 0.146 176.180 176.000 0.057 0.000 1.026 161 Q CA -0.005 55.840 55.803 0.070 0.000 0.912 161 Q CB 1.129 29.940 28.738 0.121 0.000 1.198 161 Q HN 0.427 nan 8.270 nan 0.000 0.407 162 R N 0.939 121.387 120.500 -0.087 0.000 2.508 162 R HA 0.244 4.650 4.340 0.110 0.000 0.300 162 R C -0.452 175.607 176.300 -0.401 0.000 0.970 162 R CA -0.113 55.758 56.100 -0.382 0.000 1.102 162 R CB 0.720 30.763 30.300 -0.429 0.000 1.246 162 R HN 0.480 nan 8.270 nan 0.000 0.539 163 c N 0.384 118.939 118.600 -0.076 0.000 2.456 163 c HA 0.695 5.330 4.570 0.110 0.000 0.325 163 c C 0.731 175.068 174.090 0.412 0.000 1.217 163 c CA -0.792 55.457 56.329 -0.132 0.000 1.687 163 c CB 1.423 43.602 42.510 -0.551 0.000 2.270 163 c HN 0.479 nan 8.230 nan 0.000 0.499 164 G N 1.251 110.321 108.800 0.452 0.000 2.388 164 G HA2 0.732 4.758 3.960 0.110 0.000 0.330 164 G HA3 0.732 4.758 3.960 0.110 0.000 0.330 164 G C -0.778 174.470 174.900 0.579 0.000 1.142 164 G CA -0.077 45.267 45.100 0.408 0.000 0.908 164 G HN 1.177 nan 8.290 nan 0.000 0.473 165 A N 1.375 124.405 122.820 0.350 0.000 2.479 165 A HA 0.851 5.237 4.320 0.110 0.000 0.296 165 A C -1.108 176.695 177.584 0.363 0.000 1.121 165 A CA -0.754 51.502 52.037 0.366 0.000 0.743 165 A CB 1.672 20.665 19.000 -0.012 0.000 1.323 165 A HN 0.951 nan 8.150 nan 0.000 0.415 166 I N 0.200 121.073 120.570 0.505 0.000 2.689 166 I HA 0.705 4.940 4.170 0.110 0.000 0.299 166 I C -0.522 175.951 176.117 0.594 0.000 1.059 166 I CA -0.541 61.069 61.300 0.518 0.000 1.055 166 I CB 1.934 40.235 38.000 0.501 0.000 1.243 166 I HN 1.079 nan 8.210 nan 0.000 0.425 167 H N 3.503 122.749 119.070 0.294 0.000 2.928 167 H HA 0.431 5.051 4.556 0.107 0.000 0.285 167 H C -0.000 175.357 175.328 0.050 0.000 1.438 167 H CA -0.999 55.097 56.048 0.080 0.000 1.176 167 H CB 1.122 30.643 29.762 -0.401 0.000 1.864 167 H HN 0.462 nan 8.280 nan 0.000 0.567 168 R N -0.236 120.162 120.500 -0.170 0.000 2.113 168 R HA -0.134 4.271 4.340 0.110 0.000 0.244 168 R C 0.525 176.677 176.300 -0.246 0.000 1.142 168 R CA 2.169 58.138 56.100 -0.218 0.000 0.953 168 R CB -0.301 29.843 30.300 -0.260 0.000 0.860 168 R HN 0.581 nan 8.270 nan 0.000 0.438 169 N N -0.043 118.343 118.700 -0.523 0.000 2.434 169 N HA 0.077 4.883 4.740 0.110 0.000 0.196 169 N C 0.384 175.920 175.510 0.044 0.000 1.183 169 N CA 0.989 53.900 53.050 -0.232 0.000 0.849 169 N CB 1.123 39.459 38.487 -0.251 0.000 0.992 169 N HN 0.477 nan 8.380 nan 0.000 0.460 170 G N -0.133 108.771 108.800 0.174 0.000 2.352 170 G HA2 -0.117 3.909 3.960 0.110 0.000 0.324 170 G HA3 -0.117 3.909 3.960 0.110 0.000 0.324 170 G C -1.266 173.806 174.900 0.287 0.000 1.249 170 G CA -0.915 44.301 45.100 0.193 0.000 1.053 170 G HN 0.082 nan 8.290 nan 0.000 0.492 171 L N 0.690 122.001 121.223 0.145 0.000 2.334 171 L HA 0.752 5.157 4.340 0.110 0.000 0.277 171 L C 0.388 177.267 176.870 0.014 0.000 1.075 171 L CA -0.417 54.476 54.840 0.089 0.000 0.804 171 L CB 1.670 43.713 42.059 -0.027 0.000 1.174 171 L HN 0.815 nan 8.230 nan 0.000 0.438 172 Q N 1.965 121.738 119.800 -0.046 0.000 2.309 172 Q HA 0.650 5.056 4.340 0.110 0.000 0.273 172 Q C -1.405 174.458 176.000 -0.227 0.000 1.040 172 Q CA -0.618 55.081 55.803 -0.174 0.000 0.834 172 Q CB 2.351 30.945 28.738 -0.240 0.000 1.345 172 Q HN 0.754 nan 8.270 nan 0.000 0.414 173 A N 2.086 124.792 122.820 -0.191 0.000 2.322 173 A HA 0.731 5.117 4.320 0.110 0.000 0.269 173 A C -0.430 177.144 177.584 -0.016 0.000 1.094 173 A CA 0.084 52.111 52.037 -0.017 0.000 0.807 173 A CB 1.324 20.384 19.000 0.099 0.000 1.047 173 A HN 0.622 nan 8.150 nan 0.000 0.487 174 S N -0.080 115.704 115.700 0.141 0.000 2.570 174 S HA 0.540 5.075 4.470 0.110 0.000 0.270 174 S C -0.207 174.536 174.600 0.238 0.000 1.149 174 S CA 0.102 58.371 58.200 0.114 0.000 0.837 174 S CB 1.381 64.581 63.200 0.001 0.000 1.124 174 S HN 1.726 nan 8.310 nan 0.000 0.465 175 S N 1.350 117.154 115.700 0.173 0.000 2.549 175 S HA 0.094 4.629 4.470 0.110 0.000 0.286 175 S C 1.407 176.165 174.600 0.263 0.000 1.314 175 S CA -0.171 58.117 58.200 0.148 0.000 1.062 175 S CB -0.390 62.872 63.200 0.104 0.000 0.865 175 S HN 0.779 nan 8.310 nan 0.000 0.498 176 c N 3.884 122.540 118.600 0.094 0.000 2.449 176 c HA 0.030 4.666 4.570 0.110 0.000 0.283 176 c C 2.143 176.312 174.090 0.131 0.000 1.453 176 c CA 0.288 56.608 56.329 -0.015 0.000 1.779 176 c CB -1.700 40.698 42.510 -0.187 0.000 1.779 176 c HN 0.928 nan 8.230 nan 0.000 0.546 177 E N 0.367 120.668 120.200 0.169 0.000 2.371 177 E HA -0.001 4.415 4.350 0.110 0.000 0.194 177 E C 0.548 177.300 176.600 0.254 0.000 1.012 177 E CA 0.202 56.702 56.400 0.167 0.000 0.860 177 E CB 0.116 29.878 29.700 0.103 0.000 0.811 177 E HN 0.399 nan 8.360 nan 0.000 0.502 178 V N 2.111 122.241 119.914 0.359 0.000 2.673 178 V HA 0.061 4.246 4.120 0.110 0.000 0.303 178 V C 0.351 176.696 176.094 0.420 0.000 1.046 178 V CA -0.107 62.377 62.300 0.307 0.000 1.126 178 V CB 0.845 32.783 31.823 0.191 0.000 0.934 178 V HN 0.147 nan 8.190 nan 0.000 0.487 179 A N 7.358 130.325 122.820 0.246 0.000 2.302 179 A HA 0.735 5.121 4.320 0.110 0.000 0.295 179 A C -0.481 177.176 177.584 0.121 0.000 1.235 179 A CA -0.288 51.907 52.037 0.263 0.000 0.876 179 A CB -0.076 19.031 19.000 0.177 0.000 1.133 179 A HN 0.778 nan 8.150 nan 0.000 0.533 180 L N 1.638 122.921 121.223 0.099 0.000 2.327 180 L HA 0.407 4.812 4.340 0.110 0.000 0.258 180 L C 0.268 177.187 176.870 0.082 0.000 1.024 180 L CA -0.935 53.811 54.840 -0.157 0.000 0.825 180 L CB 1.812 43.446 42.059 -0.709 0.000 1.386 180 L HN 0.761 nan 8.230 nan 0.000 0.417 181 Q N 0.185 119.922 119.800 -0.106 0.000 2.535 181 Q HA 0.241 4.647 4.340 0.110 0.000 0.228 181 Q C -1.355 174.798 176.000 0.255 0.000 1.062 181 Q CA 0.276 56.019 55.803 -0.100 0.000 0.967 181 Q CB 0.827 29.270 28.738 -0.492 0.000 1.273 181 Q HN 0.524 nan 8.270 nan 0.000 0.554 182 W N -0.879 120.580 121.300 0.264 0.000 3.047 182 W HA 0.743 5.467 4.660 0.107 0.000 0.341 182 W C -1.892 174.791 176.519 0.273 0.000 1.225 182 W CA -0.919 56.632 57.345 0.343 0.000 1.150 182 W CB 0.646 30.242 29.460 0.227 0.000 1.470 182 W HN 0.334 nan 8.180 nan 0.000 0.578 183 I N 2.656 123.422 120.570 0.328 0.000 2.466 183 I HA 0.400 4.636 4.170 0.110 0.000 0.289 183 I C -0.625 175.582 176.117 0.150 0.000 1.026 183 I CA -0.606 60.681 61.300 -0.022 0.000 1.078 183 I CB 1.403 39.282 38.000 -0.201 0.000 1.249 183 I HN 0.484 nan 8.210 nan 0.000 0.429 184 c N 4.673 123.334 118.600 0.101 0.000 2.358 184 c HA 0.647 5.283 4.570 0.110 0.000 0.354 184 c C 0.088 174.233 174.090 0.092 0.000 1.183 184 c CA -0.641 55.794 56.329 0.176 0.000 2.150 184 c CB 1.483 44.145 42.510 0.253 0.000 2.361 184 c HN 0.730 nan 8.230 nan 0.000 0.535 185 K N 1.700 122.174 120.400 0.124 0.000 2.501 185 K HA 0.617 5.002 4.320 0.110 0.000 0.252 185 K C -1.437 175.200 176.600 0.063 0.000 0.934 185 K CA -0.376 55.869 56.287 -0.071 0.000 0.797 185 K CB 1.294 33.604 32.500 -0.316 0.000 1.270 185 K HN 0.943 nan 8.250 nan 0.000 0.431 186 K N 0.943 121.366 120.400 0.038 0.000 2.575 186 K HA 0.312 4.698 4.320 0.110 0.000 0.279 186 K C -1.435 175.201 176.600 0.060 0.000 0.969 186 K CA -1.077 55.246 56.287 0.060 0.000 0.868 186 K CB 1.774 34.258 32.500 -0.027 0.000 1.457 186 K HN 0.238 nan 8.250 nan 0.000 0.426 187 V N 2.162 122.092 119.914 0.025 0.000 2.811 187 V HA 0.176 4.362 4.120 0.110 0.000 0.302 187 V C -0.348 175.650 176.094 -0.160 0.000 1.063 187 V CA -0.680 61.517 62.300 -0.171 0.000 1.088 187 V CB 0.889 32.592 31.823 -0.200 0.000 0.982 187 V HN 0.672 nan 8.190 nan 0.000 0.485 188 L N 8.787 129.902 121.223 -0.180 0.000 2.369 188 L HA 0.427 4.833 4.340 0.110 0.000 0.279 188 L C 0.171 176.975 176.870 -0.110 0.000 1.108 188 L CA 0.599 55.370 54.840 -0.114 0.000 0.852 188 L CB -0.194 41.823 42.059 -0.071 0.000 1.169 188 L HN 0.841 nan 8.230 nan 0.000 0.452 189 Y N 0.000 120.238 120.300 -0.104 0.000 2.660 189 Y HA 0.000 4.616 4.550 0.110 0.000 0.201 189 Y CA 0.000 58.047 58.100 -0.088 0.000 1.940 189 Y CB 0.000 38.403 38.460 -0.094 0.000 1.050 189 Y HN 0.000 nan 8.280 nan 0.000 0.758