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 1hfo_1_E DATA FIRST_RESID 1 DATA SEQUENCE PIFTLNTNIK ATDVPSDFLS STSALVGNIL SKPGSYVAVH INTDQQLSFG DATA SEQUENCE GSTNPAAFGT LMSIGGIEPS RNRDHSAKLF DHLNTKLGIP KNRMYIHFVN DATA SEQUENCE LNGDDVGWNG TTF 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.322 177.300 0.036 0.000 1.155 1 P CA 0.000 63.087 63.100 -0.021 0.000 0.800 1 P CB 0.000 31.682 31.700 -0.030 0.000 0.726 2 I N 0.728 121.337 120.570 0.066 0.000 2.533 2 I HA 0.499 4.668 4.170 -0.001 0.000 0.290 2 I C -1.255 174.958 176.117 0.160 0.000 1.056 2 I CA -0.707 60.652 61.300 0.099 0.000 1.057 2 I CB 2.372 40.416 38.000 0.073 0.000 1.240 2 I HN 0.306 nan 8.210 nan 0.000 0.423 3 F N 5.270 125.236 119.950 0.027 0.000 2.477 3 F HA 0.614 5.140 4.527 -0.001 0.000 0.335 3 F C -0.407 175.429 175.800 0.060 0.000 1.130 3 F CA -0.366 57.647 58.000 0.021 0.000 0.948 3 F CB 1.736 40.734 39.000 -0.004 0.000 1.154 3 F HN 0.331 nan 8.300 nan 0.000 0.439 4 T N 7.472 121.607 114.554 -0.699 0.000 2.848 4 T HA 0.703 5.052 4.350 -0.001 0.000 0.285 4 T C -2.039 172.195 174.700 -0.777 0.000 0.995 4 T CA -0.492 61.315 62.100 -0.488 0.000 0.970 4 T CB 0.983 69.799 68.868 -0.088 0.000 0.976 4 T HN 0.653 nan 8.240 nan 0.000 0.441 5 L N 4.740 125.556 121.223 -0.679 0.000 2.408 5 L HA 0.684 5.023 4.340 -0.001 0.000 0.268 5 L C -1.167 175.375 176.870 -0.547 0.000 0.986 5 L CA -0.366 54.125 54.840 -0.582 0.000 0.820 5 L CB 2.219 44.049 42.059 -0.382 0.000 1.303 5 L HN 0.731 nan 8.230 nan 0.000 0.411 6 N N 1.749 120.064 118.700 -0.642 0.000 2.342 6 N HA 0.760 5.499 4.740 -0.001 0.000 0.293 6 N C -1.214 174.035 175.510 -0.435 0.000 1.026 6 N CA -0.552 52.138 53.050 -0.600 0.000 0.857 6 N CB 2.078 40.024 38.487 -0.901 0.000 1.256 6 N HN 0.585 nan 8.380 nan 0.000 0.484 7 T N -0.131 114.262 114.554 -0.269 0.000 2.868 7 T HA 0.285 4.634 4.350 -0.001 0.000 0.306 7 T C -0.286 174.350 174.700 -0.106 0.000 1.224 7 T CA -0.758 61.240 62.100 -0.169 0.000 1.012 7 T CB 0.748 69.502 68.868 -0.191 0.000 1.221 7 T HN 0.640 nan 8.240 nan 0.000 0.499 8 N N 2.478 121.143 118.700 -0.060 0.000 2.336 8 N HA 0.131 4.870 4.740 -0.001 0.000 0.189 8 N C 0.965 176.441 175.510 -0.056 0.000 1.113 8 N CA -0.105 52.922 53.050 -0.038 0.000 0.858 8 N CB -0.702 37.785 38.487 -0.001 0.000 0.970 8 N HN 0.805 nan 8.380 nan 0.000 0.471 9 I N -2.127 118.392 120.570 -0.085 0.000 2.823 9 I HA 0.263 4.432 4.170 -0.001 0.000 0.290 9 I C -0.160 175.901 176.117 -0.093 0.000 1.091 9 I CA -0.927 60.319 61.300 -0.090 0.000 1.365 9 I CB 0.768 38.699 38.000 -0.114 0.000 1.427 9 I HN -0.218 nan 8.210 nan 0.000 0.583 10 K N 3.246 123.598 120.400 -0.080 0.000 2.185 10 K HA 0.382 4.701 4.320 -0.001 0.000 0.271 10 K C 0.959 177.508 176.600 -0.087 0.000 1.013 10 K CA -0.008 56.236 56.287 -0.071 0.000 0.943 10 K CB 1.450 33.919 32.500 -0.052 0.000 0.998 10 K HN 0.769 nan 8.250 nan 0.000 0.468 11 A N 1.703 124.477 122.820 -0.077 0.000 1.978 11 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 11 A C 2.023 179.570 177.584 -0.062 0.000 1.170 11 A CA 2.171 54.161 52.037 -0.077 0.000 0.636 11 A CB -1.015 17.953 19.000 -0.053 0.000 0.810 11 A HN 0.910 nan 8.150 nan 0.000 0.448 12 T N -2.791 111.734 114.554 -0.048 0.000 3.051 12 T HA -0.063 4.286 4.350 -0.001 0.000 0.269 12 T C 0.630 175.305 174.700 -0.043 0.000 1.127 12 T CA 1.336 63.414 62.100 -0.037 0.000 1.107 12 T CB -0.188 68.663 68.868 -0.028 0.000 0.898 12 T HN 0.401 nan 8.240 nan 0.000 0.517 13 D N 0.843 121.207 120.400 -0.061 0.000 2.402 13 D HA 0.256 4.895 4.640 -0.001 0.000 0.216 13 D C -0.278 175.968 176.300 -0.090 0.000 1.128 13 D CA -0.069 53.892 54.000 -0.066 0.000 0.833 13 D CB 0.809 41.570 40.800 -0.066 0.000 0.971 13 D HN 0.304 nan 8.370 nan 0.000 0.503 14 V N 3.875 123.726 119.914 -0.106 0.000 2.394 14 V HA 0.239 4.359 4.120 -0.001 0.000 0.282 14 V C -1.821 174.242 176.094 -0.053 0.000 1.031 14 V CA -1.459 60.752 62.300 -0.148 0.000 0.881 14 V CB 1.638 33.323 31.823 -0.230 0.000 0.982 14 V HN -0.001 nan 8.190 nan 0.000 0.451 15 P HA 0.086 nan 4.420 nan 0.000 0.269 15 P C 0.888 178.240 177.300 0.088 0.000 1.215 15 P CA -0.080 63.047 63.100 0.044 0.000 0.780 15 P CB 0.932 32.666 31.700 0.056 0.000 0.898 16 S N 0.315 116.054 115.700 0.065 0.000 2.469 16 S HA -0.159 4.311 4.470 -0.001 0.000 0.238 16 S C 1.052 175.707 174.600 0.090 0.000 0.998 16 S CA 1.117 59.360 58.200 0.071 0.000 0.957 16 S CB -0.771 62.455 63.200 0.044 0.000 0.764 16 S HN 0.642 nan 8.310 nan 0.000 0.514 17 D N -0.218 120.240 120.400 0.096 0.000 2.342 17 D HA 0.051 4.690 4.640 -0.001 0.000 0.221 17 D C 1.093 177.457 176.300 0.106 0.000 1.101 17 D CA -0.539 53.510 54.000 0.081 0.000 0.837 17 D CB -0.621 40.213 40.800 0.057 0.000 0.938 17 D HN 0.386 nan 8.370 nan 0.000 0.508 18 F N 1.479 121.448 119.950 0.032 0.000 2.075 18 F HA -0.056 4.471 4.527 -0.001 0.000 0.297 18 F C 1.931 177.786 175.800 0.092 0.000 1.113 18 F CA 1.318 59.349 58.000 0.051 0.000 1.218 18 F CB -0.168 38.845 39.000 0.021 0.000 0.984 18 F HN -0.102 nan 8.300 nan 0.000 0.472 19 L N -0.088 121.175 121.223 0.067 0.000 1.994 19 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 19 L C 2.785 179.604 176.870 -0.085 0.000 1.071 19 L CA 1.702 56.533 54.840 -0.014 0.000 0.745 19 L CB -1.165 40.957 42.059 0.106 0.000 0.892 19 L HN 0.319 nan 8.230 nan 0.000 0.431 20 S N -0.378 115.302 115.700 -0.033 0.000 2.356 20 S HA -0.202 4.267 4.470 -0.001 0.000 0.223 20 S C 2.125 176.677 174.600 -0.080 0.000 1.032 20 S CA 1.387 59.563 58.200 -0.040 0.000 1.005 20 S CB -0.799 62.396 63.200 -0.009 0.000 0.867 20 S HN 0.548 nan 8.310 nan 0.000 0.449 21 S N 1.205 116.859 115.700 -0.078 0.000 2.406 21 S HA -0.064 4.405 4.470 -0.001 0.000 0.228 21 S C 1.849 176.307 174.600 -0.237 0.000 1.020 21 S CA 1.255 59.408 58.200 -0.078 0.000 0.965 21 S CB -1.305 61.936 63.200 0.067 0.000 0.798 21 S HN 0.578 nan 8.310 nan 0.000 0.488 22 T N 1.883 116.248 114.554 -0.314 0.000 2.812 22 T HA 0.000 4.349 4.350 -0.001 0.000 0.264 22 T C 2.082 176.581 174.700 -0.335 0.000 1.042 22 T CA 1.334 63.153 62.100 -0.468 0.000 1.140 22 T CB -0.654 67.871 68.868 -0.572 0.000 0.870 22 T HN 0.519 nan 8.240 nan 0.000 0.445 23 S N 1.142 116.718 115.700 -0.206 0.000 2.365 23 S HA -0.150 4.319 4.470 -0.001 0.000 0.225 23 S C 2.394 176.912 174.600 -0.137 0.000 1.039 23 S CA 1.492 59.619 58.200 -0.122 0.000 1.033 23 S CB -0.581 62.578 63.200 -0.067 0.000 0.887 23 S HN 0.525 nan 8.310 nan 0.000 0.447 24 A N 1.046 123.779 122.820 -0.144 0.000 1.933 24 A HA -0.007 4.312 4.320 -0.001 0.000 0.218 24 A C 2.150 179.635 177.584 -0.165 0.000 1.175 24 A CA 1.665 53.625 52.037 -0.128 0.000 0.628 24 A CB -0.821 18.116 19.000 -0.105 0.000 0.814 24 A HN 0.568 nan 8.150 nan 0.000 0.444 25 L N -0.063 121.005 121.223 -0.258 0.000 2.027 25 L HA -0.085 4.254 4.340 -0.001 0.000 0.206 25 L C 2.374 179.100 176.870 -0.240 0.000 1.074 25 L CA 1.942 56.608 54.840 -0.290 0.000 0.745 25 L CB -0.650 41.100 42.059 -0.515 0.000 0.898 25 L HN 0.138 nan 8.230 nan 0.000 0.433 26 V N 0.391 120.147 119.914 -0.264 0.000 2.332 26 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 26 V C 2.625 178.633 176.094 -0.142 0.000 1.055 26 V CA 1.883 64.057 62.300 -0.210 0.000 1.038 26 V CB -1.714 30.005 31.823 -0.174 0.000 0.651 26 V HN 0.658 nan 8.190 nan 0.000 0.450 27 G N -0.170 108.560 108.800 -0.116 0.000 2.418 27 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.217 27 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.217 27 G C 1.543 176.397 174.900 -0.077 0.000 1.158 27 G CA 0.940 45.991 45.100 -0.082 0.000 0.771 27 G HN 0.511 nan 8.290 nan 0.000 0.545 28 N N 1.367 120.016 118.700 -0.086 0.000 2.084 28 N HA -0.111 4.628 4.740 -0.001 0.000 0.190 28 N C 2.525 178.005 175.510 -0.049 0.000 1.030 28 N CA 1.644 54.655 53.050 -0.065 0.000 0.849 28 N CB -0.215 38.230 38.487 -0.071 0.000 1.012 28 N HN 0.527 nan 8.380 nan 0.000 0.423 29 I N -1.559 118.973 120.570 -0.063 0.000 2.493 29 I HA -0.099 4.070 4.170 -0.001 0.000 0.254 29 I C 1.527 177.643 176.117 -0.002 0.000 1.160 29 I CA 1.090 62.383 61.300 -0.012 0.000 1.445 29 I CB -0.249 37.736 38.000 -0.025 0.000 1.086 29 I HN -0.006 nan 8.210 nan 0.000 0.433 30 L N 0.683 121.860 121.223 -0.077 0.000 2.607 30 L HA 0.221 4.560 4.340 -0.001 0.000 0.228 30 L C 0.868 177.714 176.870 -0.041 0.000 1.123 30 L CA -0.119 54.681 54.840 -0.067 0.000 0.890 30 L CB 0.021 42.009 42.059 -0.118 0.000 1.103 30 L HN 0.223 nan 8.230 nan 0.000 0.468 31 S N 0.927 116.607 115.700 -0.035 0.000 3.631 31 S HA -0.128 4.341 4.470 -0.001 0.000 0.366 31 S C -0.018 174.553 174.600 -0.048 0.000 0.993 31 S CA 0.900 59.080 58.200 -0.034 0.000 1.167 31 S CB -0.924 62.261 63.200 -0.024 0.000 0.909 31 S HN 0.292 nan 8.310 nan 0.000 0.478 32 K N 1.095 121.463 120.400 -0.053 0.000 2.375 32 K HA 0.511 4.830 4.320 -0.001 0.000 0.249 32 K C -2.571 174.018 176.600 -0.018 0.000 0.942 32 K CA -2.171 54.083 56.287 -0.054 0.000 0.806 32 K CB 1.122 33.573 32.500 -0.082 0.000 1.227 32 K HN 0.025 nan 8.250 nan 0.000 0.430 33 P HA 0.023 nan 4.420 nan 0.000 0.271 33 P C 0.780 178.087 177.300 0.013 0.000 1.216 33 P CA -0.004 63.114 63.100 0.030 0.000 0.771 33 P CB 0.581 32.325 31.700 0.073 0.000 0.864 34 G N 2.748 111.534 108.800 -0.024 0.000 2.499 34 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.221 34 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.221 34 G C 1.501 176.363 174.900 -0.063 0.000 1.109 34 G CA 0.934 46.011 45.100 -0.039 0.000 0.749 34 G HN 0.616 nan 8.290 nan 0.000 0.568 35 S N -0.635 114.995 115.700 -0.117 0.000 2.442 35 S HA -0.081 4.388 4.470 -0.001 0.000 0.236 35 S C 1.810 176.192 174.600 -0.364 0.000 1.007 35 S CA 0.871 58.928 58.200 -0.240 0.000 0.965 35 S CB -0.415 62.581 63.200 -0.340 0.000 0.773 35 S HN 0.426 nan 8.310 nan 0.000 0.504 36 Y N 1.132 121.349 120.300 -0.139 0.000 2.458 36 Y HA 0.448 4.997 4.550 -0.001 0.000 0.256 36 Y C 0.560 176.378 175.900 -0.137 0.000 1.159 36 Y CA -0.815 57.157 58.100 -0.214 0.000 1.261 36 Y CB 0.272 38.542 38.460 -0.317 0.000 1.119 36 Y HN 0.066 nan 8.280 nan 0.000 0.524 37 V N 1.461 121.391 119.914 0.027 0.000 2.488 37 V HA 0.560 4.679 4.120 -0.001 0.000 0.277 37 V C 0.208 176.324 176.094 0.037 0.000 1.046 37 V CA -0.719 61.593 62.300 0.022 0.000 0.986 37 V CB 0.540 32.359 31.823 -0.007 0.000 0.989 37 V HN 0.191 nan 8.190 nan 0.000 0.475 38 A N 5.267 128.125 122.820 0.063 0.000 2.343 38 A HA 0.855 5.174 4.320 -0.001 0.000 0.316 38 A C -0.903 176.752 177.584 0.119 0.000 1.104 38 A CA -0.513 51.575 52.037 0.083 0.000 0.768 38 A CB 1.631 20.684 19.000 0.088 0.000 1.213 38 A HN 0.624 nan 8.150 nan 0.000 0.456 39 V N 3.476 123.470 119.914 0.134 0.000 2.656 39 V HA 0.535 4.654 4.120 -0.001 0.000 0.307 39 V C -0.486 175.749 176.094 0.235 0.000 1.051 39 V CA -0.451 61.968 62.300 0.198 0.000 0.893 39 V CB 1.810 33.726 31.823 0.154 0.000 0.999 39 V HN 1.007 nan 8.190 nan 0.000 0.426 40 H N 4.873 123.997 119.070 0.089 0.000 2.856 40 H HA 0.657 5.212 4.556 -0.001 0.000 0.355 40 H C -2.026 173.318 175.328 0.026 0.000 1.079 40 H CA -0.663 55.411 56.048 0.045 0.000 1.240 40 H CB 2.360 32.114 29.762 -0.013 0.000 1.701 40 H HN 0.685 nan 8.280 nan 0.000 0.527 41 I N 4.654 125.082 120.570 -0.238 0.000 2.499 41 I HA 0.223 4.392 4.170 -0.001 0.000 0.288 41 I C -1.420 174.429 176.117 -0.447 0.000 1.048 41 I CA -0.758 60.324 61.300 -0.364 0.000 1.062 41 I CB 1.552 39.474 38.000 -0.129 0.000 1.238 41 I HN 0.580 nan 8.210 nan 0.000 0.426 42 N N 5.430 123.823 118.700 -0.512 0.000 2.476 42 N HA 0.426 5.165 4.740 -0.001 0.000 0.257 42 N C -0.639 174.737 175.510 -0.223 0.000 0.970 42 N CA -0.269 52.602 53.050 -0.298 0.000 0.938 42 N CB 1.166 39.488 38.487 -0.276 0.000 1.144 42 N HN 0.685 nan 8.380 nan 0.000 0.500 43 T N -0.321 114.141 114.554 -0.154 0.000 2.889 43 T HA 0.403 4.752 4.350 -0.001 0.000 0.278 43 T C -0.223 174.425 174.700 -0.086 0.000 0.995 43 T CA -0.620 61.398 62.100 -0.136 0.000 0.966 43 T CB 0.548 69.334 68.868 -0.137 0.000 1.237 43 T HN 0.496 nan 8.240 nan 0.000 0.591 44 D N 0.589 120.944 120.400 -0.075 0.000 2.772 44 D HA -0.122 4.517 4.640 -0.001 0.000 0.233 44 D C -0.350 175.930 176.300 -0.033 0.000 1.143 44 D CA 0.625 54.596 54.000 -0.047 0.000 0.700 44 D CB -0.464 40.313 40.800 -0.037 0.000 1.076 44 D HN 0.494 nan 8.370 nan 0.000 0.430 45 Q N 0.168 119.946 119.800 -0.037 0.000 2.222 45 Q HA 0.284 4.623 4.340 -0.001 0.000 0.252 45 Q C 0.684 176.689 176.000 0.009 0.000 0.926 45 Q CA -0.197 55.598 55.803 -0.014 0.000 0.899 45 Q CB 1.110 29.834 28.738 -0.025 0.000 1.250 45 Q HN 0.270 nan 8.270 nan 0.000 0.441 46 Q N 1.732 121.547 119.800 0.024 0.000 2.307 46 Q HA 0.326 4.665 4.340 -0.001 0.000 0.261 46 Q C -0.717 175.320 176.000 0.062 0.000 1.051 46 Q CA -0.106 55.718 55.803 0.034 0.000 0.911 46 Q CB 0.413 29.170 28.738 0.031 0.000 1.227 46 Q HN 0.249 nan 8.270 nan 0.000 0.418 47 L N 1.748 123.013 121.223 0.070 0.000 2.493 47 L HA 0.457 4.796 4.340 -0.001 0.000 0.265 47 L C -1.370 175.566 176.870 0.111 0.000 0.954 47 L CA -0.163 54.747 54.840 0.116 0.000 0.844 47 L CB 2.458 44.605 42.059 0.146 0.000 1.302 47 L HN 0.418 nan 8.230 nan 0.000 0.405 48 S N 4.261 120.029 115.700 0.114 0.000 2.500 48 S HA 0.803 5.272 4.470 -0.001 0.000 0.301 48 S C -1.528 173.162 174.600 0.151 0.000 1.092 48 S CA -0.358 57.907 58.200 0.109 0.000 1.030 48 S CB 0.868 64.103 63.200 0.059 0.000 1.031 48 S HN 0.521 nan 8.310 nan 0.000 0.483 49 F N 3.594 123.554 119.950 0.016 0.000 2.539 49 F HA 0.596 5.122 4.527 -0.002 0.000 0.328 49 F C 0.723 176.520 175.800 -0.005 0.000 1.148 49 F CA 0.050 58.051 58.000 0.002 0.000 0.940 49 F CB 1.286 40.270 39.000 -0.026 0.000 1.194 49 F HN 0.926 nan 8.300 nan 0.000 0.438 50 G N 3.210 112.038 108.800 0.047 0.000 2.176 50 G HA2 0.058 4.017 3.960 -0.001 0.000 0.252 50 G HA3 0.058 4.017 3.960 -0.001 0.000 0.252 50 G C 1.042 175.989 174.900 0.079 0.000 1.024 50 G CA 0.561 45.727 45.100 0.110 0.000 0.755 50 G HN 2.236 nan 8.290 nan 0.000 0.507 51 G N -1.976 106.853 108.800 0.047 0.000 2.153 51 G HA2 0.115 4.074 3.960 -0.001 0.000 0.252 51 G HA3 0.115 4.074 3.960 -0.001 0.000 0.252 51 G C 0.378 175.308 174.900 0.050 0.000 0.994 51 G CA 1.497 46.619 45.100 0.037 0.000 0.698 51 G HN 2.344 nan 8.290 nan 0.000 0.521 52 S N -1.069 114.677 115.700 0.076 0.000 2.541 52 S HA 0.682 5.152 4.470 -0.001 0.000 0.280 52 S C 0.947 175.592 174.600 0.075 0.000 1.112 52 S CA 0.814 59.053 58.200 0.066 0.000 0.925 52 S CB 1.616 64.855 63.200 0.064 0.000 1.067 52 S HN 1.133 nan 8.310 nan 0.000 0.479 53 T N 1.054 115.638 114.554 0.049 0.000 3.235 53 T HA 0.264 4.613 4.350 -0.001 0.000 0.251 53 T C 0.417 175.134 174.700 0.028 0.000 1.060 53 T CA -0.432 61.696 62.100 0.046 0.000 0.949 53 T CB -0.684 68.203 68.868 0.032 0.000 1.020 53 T HN 0.475 nan 8.240 nan 0.000 0.564 54 N N 3.129 121.842 118.700 0.023 0.000 2.415 54 N HA 0.217 4.956 4.740 -0.001 0.000 0.248 54 N C -2.698 172.803 175.510 -0.015 0.000 1.271 54 N CA -1.723 51.326 53.050 -0.002 0.000 0.913 54 N CB 0.156 38.638 38.487 -0.009 0.000 1.129 54 N HN 0.119 nan 8.380 nan 0.000 0.444 55 P HA -0.041 nan 4.420 nan 0.000 0.257 55 P C -0.977 176.269 177.300 -0.091 0.000 1.144 55 P CA 0.895 63.959 63.100 -0.060 0.000 0.761 55 P CB 0.172 31.831 31.700 -0.069 0.000 0.734 56 A N 2.614 125.391 122.820 -0.073 0.000 2.599 56 A HA 0.907 5.226 4.320 -0.001 0.000 0.290 56 A C -1.545 176.023 177.584 -0.027 0.000 1.101 56 A CA -0.009 51.968 52.037 -0.100 0.000 0.674 56 A CB 1.635 20.630 19.000 -0.008 0.000 1.277 56 A HN 0.537 nan 8.150 nan 0.000 0.419 57 A N -0.504 122.325 122.820 0.015 0.000 2.601 57 A HA 0.897 5.216 4.320 -0.001 0.000 0.291 57 A C -1.315 176.380 177.584 0.186 0.000 1.075 57 A CA -0.011 52.036 52.037 0.017 0.000 0.671 57 A CB 0.785 19.721 19.000 -0.107 0.000 1.277 57 A HN 2.311 nan 8.150 nan 0.000 0.417 58 F N -1.081 118.903 119.950 0.056 0.000 2.641 58 F HA 0.928 5.454 4.527 -0.002 0.000 0.308 58 F C -0.005 175.800 175.800 0.008 0.000 1.105 58 F CA -0.105 57.965 58.000 0.117 0.000 0.964 58 F CB 1.217 40.352 39.000 0.225 0.000 1.294 58 F HN 1.445 nan 8.300 nan 0.000 0.442 59 G N 0.386 109.247 108.800 0.102 0.000 2.634 59 G HA2 0.621 4.580 3.960 -0.001 0.000 0.309 59 G HA3 0.621 4.580 3.960 -0.001 0.000 0.309 59 G C -1.936 172.967 174.900 0.004 0.000 1.299 59 G CA -0.806 44.213 45.100 -0.136 0.000 0.798 59 G HN 0.815 nan 8.290 nan 0.000 0.490 60 T N -0.095 114.376 114.554 -0.137 0.000 2.933 60 T HA 0.560 4.910 4.350 -0.001 0.000 0.305 60 T C -1.581 173.104 174.700 -0.024 0.000 1.092 60 T CA -0.319 61.758 62.100 -0.039 0.000 1.008 60 T CB 1.920 70.797 68.868 0.015 0.000 1.102 60 T HN 0.756 nan 8.240 nan 0.000 0.469 61 L N 4.650 125.905 121.223 0.053 0.000 2.343 61 L HA 0.760 5.099 4.340 -0.001 0.000 0.278 61 L C -0.730 176.203 176.870 0.106 0.000 0.996 61 L CA -0.582 54.377 54.840 0.199 0.000 0.831 61 L CB 0.945 43.175 42.059 0.285 0.000 1.232 61 L HN 0.764 nan 8.230 nan 0.000 0.413 62 M N 2.878 122.523 119.600 0.075 0.000 2.456 62 M HA 0.830 5.309 4.480 -0.001 0.000 0.324 62 M C -0.691 175.623 176.300 0.024 0.000 1.124 62 M CA -0.534 54.788 55.300 0.036 0.000 0.959 62 M CB 2.014 34.623 32.600 0.014 0.000 1.692 62 M HN 0.526 nan 8.290 nan 0.000 0.444 63 S N 1.982 117.685 115.700 0.004 0.000 2.535 63 S HA 0.559 5.029 4.470 -0.001 0.000 0.272 63 S C -1.140 173.426 174.600 -0.057 0.000 1.149 63 S CA -0.791 57.386 58.200 -0.039 0.000 0.888 63 S CB 1.526 64.699 63.200 -0.045 0.000 1.110 63 S HN 0.821 nan 8.310 nan 0.000 0.463 64 I N 4.324 124.824 120.570 -0.118 0.000 2.278 64 I HA 0.469 4.638 4.170 -0.001 0.000 0.300 64 I C 0.926 176.968 176.117 -0.125 0.000 1.174 64 I CA 0.605 61.830 61.300 -0.126 0.000 1.347 64 I CB -0.417 37.448 38.000 -0.224 0.000 1.473 64 I HN 0.959 nan 8.210 nan 0.000 0.595 65 G N 3.353 112.113 108.800 -0.067 0.000 2.675 65 G HA2 0.213 4.172 3.960 -0.001 0.000 0.686 65 G HA3 0.213 4.172 3.960 -0.001 0.000 0.686 65 G C 0.392 175.275 174.900 -0.028 0.000 1.215 65 G CA -0.422 44.647 45.100 -0.052 0.000 0.777 65 G HN 1.106 nan 8.290 nan 0.000 0.638 66 G N -0.932 107.869 108.800 0.002 0.000 2.217 66 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.246 66 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.246 66 G C 0.485 175.476 174.900 0.152 0.000 0.990 66 G CA 0.669 45.803 45.100 0.057 0.000 0.627 66 G HN 1.578 nan 8.290 nan 0.000 0.522 67 I N 1.832 122.458 120.570 0.093 0.000 2.378 67 I HA 0.622 4.791 4.170 -0.001 0.000 0.291 67 I C 0.037 176.180 176.117 0.043 0.000 0.992 67 I CA -0.524 60.843 61.300 0.111 0.000 1.154 67 I CB 1.599 39.672 38.000 0.123 0.000 1.315 67 I HN 0.516 nan 8.210 nan 0.000 0.448 68 E N 5.444 125.642 120.200 -0.002 0.000 2.392 68 E HA 0.274 4.623 4.350 -0.001 0.000 0.281 68 E C -2.796 173.767 176.600 -0.061 0.000 1.088 68 E CA -1.431 54.958 56.400 -0.017 0.000 0.850 68 E CB 1.339 31.027 29.700 -0.021 0.000 1.267 68 E HN 0.063 nan 8.360 nan 0.000 0.438 69 P HA -0.309 nan 4.420 nan 0.000 0.217 69 P C 1.426 178.671 177.300 -0.091 0.000 1.158 69 P CA 2.695 65.767 63.100 -0.048 0.000 0.887 69 P CB -0.006 31.684 31.700 -0.017 0.000 0.792 70 S N -2.119 113.528 115.700 -0.087 0.000 2.547 70 S HA -0.034 4.435 4.470 -0.001 0.000 0.235 70 S C 1.658 176.159 174.600 -0.166 0.000 0.980 70 S CA 0.656 58.794 58.200 -0.103 0.000 0.941 70 S CB -0.549 62.605 63.200 -0.076 0.000 0.763 70 S HN 0.061 nan 8.310 nan 0.000 0.532 71 R N 0.431 120.788 120.500 -0.238 0.000 2.369 71 R HA 0.306 4.646 4.340 -0.001 0.000 0.210 71 R C 0.978 176.880 176.300 -0.663 0.000 0.881 71 R CA 0.190 56.034 56.100 -0.427 0.000 1.031 71 R CB -0.596 29.445 30.300 -0.432 0.000 1.184 71 R HN 0.366 nan 8.270 nan 0.000 0.581 72 N N 1.505 119.911 118.700 -0.490 0.000 2.223 72 N HA -0.097 4.642 4.740 -0.001 0.000 0.185 72 N C 1.642 176.900 175.510 -0.420 0.000 1.016 72 N CA 0.939 53.608 53.050 -0.635 0.000 0.863 72 N CB -0.094 38.044 38.487 -0.582 0.000 0.983 72 N HN 0.205 nan 8.380 nan 0.000 0.429 73 R N 0.330 120.687 120.500 -0.237 0.000 2.092 73 R HA -0.092 4.248 4.340 -0.001 0.000 0.231 73 R C 1.419 177.664 176.300 -0.091 0.000 1.119 73 R CA 1.243 57.274 56.100 -0.114 0.000 0.970 73 R CB -0.289 29.960 30.300 -0.085 0.000 0.864 73 R HN 0.268 nan 8.270 nan 0.000 0.440 74 D N -0.224 120.082 120.400 -0.157 0.000 2.149 74 D HA -0.134 4.506 4.640 -0.001 0.000 0.201 74 D C 1.807 178.108 176.300 0.002 0.000 0.972 74 D CA 1.005 54.948 54.000 -0.095 0.000 0.835 74 D CB 0.152 40.867 40.800 -0.143 0.000 0.966 74 D HN 0.198 nan 8.370 nan 0.000 0.476 75 H N -0.460 118.559 119.070 -0.085 0.000 2.353 75 H HA -0.047 4.509 4.556 -0.001 0.000 0.300 75 H C 2.226 177.666 175.328 0.187 0.000 1.090 75 H CA 1.335 57.374 56.048 -0.015 0.000 1.327 75 H CB -0.778 28.882 29.762 -0.171 0.000 1.383 75 H HN 0.123 nan 8.280 nan 0.000 0.508 76 S N 0.128 116.043 115.700 0.357 0.000 2.368 76 S HA -0.114 4.355 4.470 -0.001 0.000 0.225 76 S C 2.408 177.235 174.600 0.378 0.000 1.030 76 S CA 1.079 59.609 58.200 0.550 0.000 0.999 76 S CB -0.293 63.127 63.200 0.368 0.000 0.844 76 S HN 0.490 nan 8.310 nan 0.000 0.459 77 A N 1.352 124.279 122.820 0.178 0.000 1.883 77 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 77 A C 2.159 179.851 177.584 0.181 0.000 1.186 77 A CA 1.780 53.895 52.037 0.129 0.000 0.624 77 A CB -0.602 18.433 19.000 0.057 0.000 0.822 77 A HN 0.622 nan 8.150 nan 0.000 0.444 78 K N -1.116 119.382 120.400 0.163 0.000 2.025 78 K HA -0.053 4.266 4.320 -0.001 0.000 0.207 78 K C 1.941 178.634 176.600 0.155 0.000 1.049 78 K CA 1.249 57.613 56.287 0.129 0.000 0.933 78 K CB -0.338 32.211 32.500 0.081 0.000 0.714 78 K HN 0.351 nan 8.250 nan 0.000 0.438 79 L N 0.376 121.718 121.223 0.199 0.000 2.056 79 L HA -0.094 4.245 4.340 -0.001 0.000 0.207 79 L C 1.864 178.849 176.870 0.192 0.000 1.078 79 L CA 1.654 56.574 54.840 0.134 0.000 0.749 79 L CB -0.420 41.713 42.059 0.124 0.000 0.901 79 L HN 0.022 nan 8.230 nan 0.000 0.433 80 F N 0.004 120.031 119.950 0.129 0.000 2.186 80 F HA -0.194 4.332 4.527 -0.001 0.000 0.299 80 F C 2.533 178.387 175.800 0.090 0.000 1.090 80 F CA 1.768 59.836 58.000 0.113 0.000 1.307 80 F CB -0.729 38.337 39.000 0.110 0.000 1.019 80 F HN 0.314 nan 8.300 nan 0.000 0.489 81 D N -0.620 119.945 120.400 0.274 0.000 2.104 81 D HA -0.303 4.336 4.640 -0.001 0.000 0.194 81 D C 2.079 178.464 176.300 0.142 0.000 0.994 81 D CA 1.804 55.907 54.000 0.172 0.000 0.830 81 D CB -0.260 40.623 40.800 0.140 0.000 0.959 81 D HN 0.415 nan 8.370 nan 0.000 0.452 82 H N 0.414 119.513 119.070 0.048 0.000 2.321 82 H HA -0.025 4.530 4.556 -0.001 0.000 0.300 82 H C 2.428 177.782 175.328 0.043 0.000 1.087 82 H CA 1.676 57.732 56.048 0.014 0.000 1.319 82 H CB -0.451 29.282 29.762 -0.048 0.000 1.379 82 H HN 0.116 nan 8.280 nan 0.000 0.501 83 L N 0.328 121.551 121.223 0.000 0.000 2.083 83 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 83 L C 2.631 179.470 176.870 -0.051 0.000 1.083 83 L CA 1.580 56.407 54.840 -0.022 0.000 0.752 83 L CB -0.614 41.431 42.059 -0.022 0.000 0.899 83 L HN 0.529 nan 8.230 nan 0.000 0.433 84 N N -0.373 118.318 118.700 -0.016 0.000 2.142 84 N HA -0.170 4.569 4.740 -0.001 0.000 0.186 84 N C 1.651 177.144 175.510 -0.028 0.000 1.023 84 N CA 1.941 54.986 53.050 -0.008 0.000 0.852 84 N CB 0.115 38.628 38.487 0.044 0.000 0.998 84 N HN 0.240 nan 8.380 nan 0.000 0.424 85 T N 1.416 115.951 114.554 -0.033 0.000 2.746 85 T HA -0.031 4.319 4.350 -0.001 0.000 0.267 85 T C 1.775 176.437 174.700 -0.063 0.000 1.039 85 T CA 0.916 62.993 62.100 -0.039 0.000 1.142 85 T CB 0.025 68.878 68.868 -0.025 0.000 0.866 85 T HN 0.225 nan 8.240 nan 0.000 0.444 86 K N 0.918 121.249 120.400 -0.115 0.000 2.116 86 K HA 0.206 4.526 4.320 -0.001 0.000 0.203 86 K C 2.044 178.613 176.600 -0.053 0.000 1.052 86 K CA 0.755 57.004 56.287 -0.064 0.000 0.952 86 K CB -0.228 32.256 32.500 -0.028 0.000 0.729 86 K HN 0.371 nan 8.250 nan 0.000 0.446 87 L N -1.030 120.144 121.223 -0.082 0.000 2.609 87 L HA 0.225 4.565 4.340 -0.001 0.000 0.230 87 L C 1.185 177.999 176.870 -0.093 0.000 1.087 87 L CA 0.428 55.195 54.840 -0.122 0.000 0.874 87 L CB 0.002 41.959 42.059 -0.171 0.000 1.114 87 L HN 0.301 nan 8.230 nan 0.000 0.488 88 G N 1.393 110.152 108.800 -0.068 0.000 2.162 88 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.260 88 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.260 88 G C 0.280 175.145 174.900 -0.059 0.000 0.976 88 G CA -0.024 45.043 45.100 -0.054 0.000 0.655 88 G HN 0.280 nan 8.290 nan 0.000 0.533 89 I N 1.823 122.349 120.570 -0.073 0.000 2.441 89 I HA 0.249 4.418 4.170 -0.001 0.000 0.287 89 I C -1.742 174.335 176.117 -0.067 0.000 1.049 89 I CA -2.203 59.045 61.300 -0.085 0.000 1.381 89 I CB 1.050 38.982 38.000 -0.112 0.000 1.409 89 I HN -0.139 nan 8.210 nan 0.000 0.523 90 P HA 0.012 nan 4.420 nan 0.000 0.265 90 P C 0.061 177.342 177.300 -0.030 0.000 1.193 90 P CA 0.016 63.082 63.100 -0.058 0.000 0.765 90 P CB 0.455 32.099 31.700 -0.094 0.000 0.823 91 K N 2.327 122.761 120.400 0.058 0.000 2.280 91 K HA -0.147 4.172 4.320 -0.001 0.000 0.202 91 K C 1.105 177.800 176.600 0.159 0.000 1.047 91 K CA 1.404 57.827 56.287 0.226 0.000 0.942 91 K CB -0.350 32.289 32.500 0.232 0.000 0.739 91 K HN 0.546 nan 8.250 nan 0.000 0.457 92 N N 0.519 119.213 118.700 -0.010 0.000 2.383 92 N HA -0.064 4.675 4.740 -0.001 0.000 0.192 92 N C 0.438 175.742 175.510 -0.342 0.000 1.141 92 N CA 0.284 53.287 53.050 -0.078 0.000 0.851 92 N CB 0.232 38.692 38.487 -0.046 0.000 0.976 92 N HN 0.037 nan 8.380 nan 0.000 0.465 93 R N -0.395 119.806 120.500 -0.499 0.000 2.662 93 R HA 0.403 4.743 4.340 -0.001 0.000 0.396 93 R C -0.443 175.312 176.300 -0.908 0.000 1.096 93 R CA -0.093 55.290 56.100 -1.195 0.000 1.081 93 R CB 0.345 30.182 30.300 -0.772 0.000 1.382 93 R HN 0.190 nan 8.270 nan 0.000 0.580 94 M N 0.267 119.637 119.600 -0.383 0.000 2.446 94 M HA 0.395 4.874 4.480 -0.001 0.000 0.294 94 M C -1.597 174.862 176.300 0.266 0.000 1.158 94 M CA -0.842 54.427 55.300 -0.051 0.000 0.899 94 M CB 2.527 35.037 32.600 -0.150 0.000 1.687 94 M HN -0.143 nan 8.290 nan 0.000 0.455 95 Y N 2.222 122.766 120.300 0.407 0.000 2.425 95 Y HA 0.676 5.225 4.550 -0.002 0.000 0.344 95 Y C -0.629 175.443 175.900 0.286 0.000 0.969 95 Y CA -1.009 57.344 58.100 0.423 0.000 1.052 95 Y CB 1.762 40.431 38.460 0.348 0.000 1.215 95 Y HN 0.507 nan 8.280 nan 0.000 0.451 96 I N 3.029 123.857 120.570 0.430 0.000 2.447 96 I HA 0.230 4.399 4.170 -0.001 0.000 0.287 96 I C -0.617 175.470 176.117 -0.050 0.000 1.023 96 I CA -0.633 60.731 61.300 0.105 0.000 1.083 96 I CB 1.711 39.670 38.000 -0.068 0.000 1.245 96 I HN 0.629 nan 8.210 nan 0.000 0.434 97 H N 6.761 125.764 119.070 -0.110 0.000 2.604 97 H HA 0.376 4.931 4.556 -0.002 0.000 0.306 97 H C -1.306 173.946 175.328 -0.127 0.000 1.075 97 H CA -0.673 55.331 56.048 -0.073 0.000 1.357 97 H CB 0.761 30.535 29.762 0.019 0.000 1.426 97 H HN 0.341 nan 8.280 nan 0.000 0.470 98 F N 4.654 124.696 119.950 0.154 0.000 2.411 98 F HA 0.265 4.791 4.527 -0.001 0.000 0.350 98 F C -0.191 175.494 175.800 -0.192 0.000 1.114 98 F CA -0.523 57.494 58.000 0.029 0.000 1.135 98 F CB 1.328 40.414 39.000 0.143 0.000 1.120 98 F HN 0.213 nan 8.300 nan 0.000 0.495 99 V N 3.136 123.037 119.914 -0.021 0.000 2.525 99 V HA 0.297 4.416 4.120 -0.001 0.000 0.299 99 V C -0.764 175.335 176.094 0.008 0.000 1.034 99 V CA -1.040 61.199 62.300 -0.103 0.000 0.863 99 V CB 1.916 33.607 31.823 -0.220 0.000 0.999 99 V HN 0.656 nan 8.190 nan 0.000 0.423 100 N N 4.196 122.910 118.700 0.024 0.000 2.426 100 N HA 0.575 5.314 4.740 -0.001 0.000 0.257 100 N C -0.876 174.643 175.510 0.014 0.000 1.002 100 N CA -0.314 52.751 53.050 0.024 0.000 0.942 100 N CB 0.832 39.337 38.487 0.030 0.000 1.112 100 N HN 0.641 nan 8.380 nan 0.000 0.499 101 L N 2.407 123.634 121.223 0.006 0.000 2.334 101 L HA 0.413 4.752 4.340 -0.001 0.000 0.277 101 L C 0.349 177.229 176.870 0.016 0.000 1.075 101 L CA -0.917 53.932 54.840 0.015 0.000 0.804 101 L CB 0.851 42.922 42.059 0.019 0.000 1.174 101 L HN 0.500 nan 8.230 nan 0.000 0.438 102 N N 1.524 120.244 118.700 0.033 0.000 2.444 102 N HA 0.091 4.830 4.740 -0.001 0.000 0.271 102 N C 0.914 176.464 175.510 0.067 0.000 1.069 102 N CA 0.194 53.267 53.050 0.038 0.000 0.965 102 N CB 1.986 40.496 38.487 0.040 0.000 1.092 102 N HN 0.838 nan 8.380 nan 0.000 0.476 103 G N 1.891 110.736 108.800 0.075 0.000 2.469 103 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.219 103 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.219 103 G C 0.854 175.865 174.900 0.184 0.000 1.150 103 G CA 0.681 45.881 45.100 0.167 0.000 0.763 103 G HN 0.553 nan 8.290 nan 0.000 0.561 104 D N 0.917 121.383 120.400 0.111 0.000 2.354 104 D HA -0.054 4.585 4.640 -0.001 0.000 0.216 104 D C 0.999 177.342 176.300 0.071 0.000 0.970 104 D CA 0.857 54.904 54.000 0.079 0.000 0.905 104 D CB -0.058 40.774 40.800 0.053 0.000 0.903 104 D HN 0.247 nan 8.370 nan 0.000 0.508 105 D N -0.362 120.089 120.400 0.085 0.000 2.363 105 D HA 0.069 4.708 4.640 -0.001 0.000 0.214 105 D C -0.088 176.271 176.300 0.098 0.000 1.093 105 D CA 0.052 54.097 54.000 0.075 0.000 0.837 105 D CB 1.045 41.883 40.800 0.063 0.000 0.948 105 D HN -0.028 nan 8.370 nan 0.000 0.507 106 V N 0.454 120.456 119.914 0.148 0.000 2.487 106 V HA 0.690 4.809 4.120 -0.001 0.000 0.298 106 V C 0.569 176.755 176.094 0.154 0.000 1.028 106 V CA -1.077 61.344 62.300 0.202 0.000 0.860 106 V CB 1.983 34.009 31.823 0.338 0.000 0.991 106 V HN 0.058 nan 8.190 nan 0.000 0.427 107 G N 3.163 112.039 108.800 0.126 0.000 2.335 107 G HA2 0.580 4.540 3.960 -0.001 0.000 0.316 107 G HA3 0.580 4.540 3.960 -0.001 0.000 0.316 107 G C -1.667 173.335 174.900 0.170 0.000 1.129 107 G CA -0.424 44.712 45.100 0.059 0.000 0.899 107 G HN 0.785 nan 8.290 nan 0.000 0.448 108 W N 2.977 124.179 121.300 -0.162 0.000 3.425 108 W HA 0.449 5.108 4.660 -0.001 0.000 0.318 108 W C 0.117 176.573 176.519 -0.105 0.000 1.201 108 W CA -0.832 56.480 57.345 -0.056 0.000 1.212 108 W CB 0.870 30.408 29.460 0.130 0.000 1.355 108 W HN 0.746 nan 8.180 nan 0.000 0.515 109 N N 3.913 122.043 118.700 -0.949 0.000 2.735 109 N HA -0.232 4.508 4.740 -0.001 0.000 0.248 109 N C 1.003 176.237 175.510 -0.460 0.000 1.083 109 N CA 1.592 54.077 53.050 -0.941 0.000 0.703 109 N CB -0.980 36.586 38.487 -1.535 0.000 1.005 109 N HN 1.657 nan 8.380 nan 0.000 0.550 110 G N -1.773 106.852 108.800 -0.291 0.000 2.189 110 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.267 110 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.267 110 G C 0.212 175.020 174.900 -0.152 0.000 0.975 110 G CA 1.513 46.503 45.100 -0.183 0.000 0.644 110 G HN 0.702 nan 8.290 nan 0.000 0.537 111 T N -1.277 113.167 114.554 -0.184 0.000 2.573 111 T HA 0.812 5.161 4.350 -0.001 0.000 0.259 111 T C 0.092 174.673 174.700 -0.198 0.000 0.886 111 T CA 1.364 63.371 62.100 -0.156 0.000 1.110 111 T CB 1.498 70.281 68.868 -0.142 0.000 1.421 111 T HN 1.207 nan 8.240 nan 0.000 0.523 112 T N -0.570 113.852 114.554 -0.220 0.000 2.864 112 T HA 0.742 5.091 4.350 -0.001 0.000 0.299 112 T C -1.128 173.400 174.700 -0.286 0.000 1.166 112 T CA -0.698 61.245 62.100 -0.262 0.000 1.007 112 T CB 0.899 69.722 68.868 -0.075 0.000 1.219 112 T HN 0.329 nan 8.240 nan 0.000 0.506 113 F N 0.000 119.995 119.950 0.076 0.000 2.286 113 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 113 F CA 0.000 58.024 58.000 0.040 0.000 1.383 113 F CB 0.000 38.996 39.000 -0.006 0.000 1.145 113 F HN 0.000 nan 8.300 nan 0.000 0.574