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 3kiy_1_W DATA FIRST_RESID 1 DATA SEQUENCE MEAKAIARYV RISPRKVRLV VDLIRGKSLE EARNILRYTN KRGAYFVAKV DATA SEQUENCE LESAAANAVN NHDMLEDRLY VKAAYVDEGP ALKRVLPRAR GRADIIKKRT DATA SEQUENCE SHITVILGEK HGK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.278 176.300 -0.036 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 1 M CB 0.000 32.607 32.600 0.011 0.000 1.302 2 E N 3.100 123.240 120.200 -0.100 0.000 2.335 2 E HA 0.835 5.185 4.350 0.000 0.000 0.280 2 E C -1.758 174.684 176.600 -0.263 0.000 0.918 2 E CA -1.193 55.130 56.400 -0.128 0.000 0.765 2 E CB 1.795 31.444 29.700 -0.084 0.000 1.218 2 E HN 0.862 nan 8.360 nan 0.000 0.425 3 A N 2.878 125.547 122.820 -0.252 0.000 2.301 3 A HA 0.518 4.839 4.320 0.000 0.000 0.312 3 A C -0.463 177.018 177.584 -0.172 0.000 1.182 3 A CA -0.703 51.152 52.037 -0.304 0.000 0.826 3 A CB 1.158 20.033 19.000 -0.210 0.000 1.134 3 A HN 0.578 nan 8.150 nan 0.000 0.501 4 K N 1.544 121.864 120.400 -0.135 0.000 2.156 4 K HA 0.711 5.031 4.320 0.000 0.000 0.250 4 K C 0.340 176.910 176.600 -0.050 0.000 0.955 4 K CA -0.057 56.179 56.287 -0.084 0.000 0.855 4 K CB 1.731 34.199 32.500 -0.055 0.000 1.101 4 K HN 0.746 nan 8.250 nan 0.000 0.434 5 A N 2.980 125.773 122.820 -0.045 0.000 3.110 5 A HA 0.550 4.870 4.320 0.000 0.000 0.206 5 A C -0.285 177.295 177.584 -0.007 0.000 2.150 5 A CA -0.269 51.753 52.037 -0.025 0.000 1.708 5 A CB -0.115 18.866 19.000 -0.031 0.000 1.207 5 A HN 0.791 nan 8.150 nan 0.000 0.367 6 I N -1.594 118.981 120.570 0.007 0.000 7.187 6 I HA -0.084 4.086 4.170 0.000 0.000 0.126 6 I C -0.361 175.761 176.117 0.008 0.000 1.836 6 I CA 0.351 61.664 61.300 0.021 0.000 2.037 6 I CB -0.888 37.118 38.000 0.010 0.000 3.610 6 I HN 0.806 nan 8.210 nan 0.000 0.169 7 A N 7.999 130.837 122.820 0.030 0.000 2.644 7 A HA 0.609 4.929 4.320 0.000 0.000 0.343 7 A C 0.365 177.982 177.584 0.053 0.000 1.324 7 A CA -0.572 51.481 52.037 0.026 0.000 0.846 7 A CB 0.434 19.456 19.000 0.036 0.000 1.128 7 A HN 0.581 nan 8.150 nan 0.000 0.484 8 R N 0.437 120.936 120.500 -0.003 0.000 2.738 8 R HA 0.176 4.516 4.340 0.000 0.000 0.268 8 R C -0.634 175.838 176.300 0.286 0.000 1.062 8 R CA -0.192 55.911 56.100 0.005 0.000 1.158 8 R CB 0.099 30.257 30.300 -0.237 0.000 1.046 8 R HN 0.625 nan 8.270 nan 0.000 0.493 9 Y N -0.579 119.928 120.300 0.346 0.000 3.037 9 Y HA -0.257 4.293 4.550 0.000 0.000 0.204 9 Y C 1.086 177.006 175.900 0.034 0.000 1.275 9 Y CA 0.072 58.275 58.100 0.173 0.000 1.066 9 Y CB -2.067 36.445 38.460 0.086 0.000 1.305 9 Y HN 0.417 nan 8.280 nan 0.000 0.499 10 V N 0.147 120.132 119.914 0.118 0.000 2.275 10 V HA 0.017 4.137 4.120 0.000 0.000 0.215 10 V C 1.591 177.607 176.094 -0.129 0.000 1.008 10 V CA 1.503 63.750 62.300 -0.088 0.000 1.036 10 V CB -0.041 31.661 31.823 -0.201 0.000 0.663 10 V HN 0.537 nan 8.190 nan 0.000 0.468 11 R N -0.056 120.349 120.500 -0.158 0.000 2.041 11 R HA 0.142 4.482 4.340 0.000 0.000 0.181 11 R C -1.442 174.809 176.300 -0.082 0.000 0.874 11 R CA 0.156 56.191 56.100 -0.107 0.000 0.730 11 R CB -0.769 29.483 30.300 -0.080 0.000 1.487 11 R HN 0.555 nan 8.270 nan 0.000 0.287 12 I N -0.383 120.155 120.570 -0.052 0.000 2.842 12 I HA 0.263 4.433 4.170 0.000 0.000 0.296 12 I C -0.942 175.177 176.117 0.003 0.000 1.538 12 I CA -0.382 60.929 61.300 0.020 0.000 0.994 12 I CB 2.251 40.310 38.000 0.098 0.000 1.372 12 I HN 0.224 nan 8.210 nan 0.000 0.478 13 S N 6.469 122.180 115.700 0.017 0.000 2.488 13 S HA 0.317 4.787 4.470 0.000 0.000 0.278 13 S C -1.782 172.824 174.600 0.011 0.000 1.259 13 S CA -0.887 57.314 58.200 0.001 0.000 1.061 13 S CB 0.993 64.195 63.200 0.004 0.000 0.910 13 S HN 0.495 nan 8.310 nan 0.000 0.491 14 P HA -0.202 nan 4.420 nan 0.000 0.216 14 P C 1.491 178.803 177.300 0.020 0.000 1.167 14 P CA 1.221 64.322 63.100 0.003 0.000 0.914 14 P CB 0.013 31.699 31.700 -0.024 0.000 0.793 15 R N -0.080 120.426 120.500 0.010 0.000 2.276 15 R HA -0.204 4.136 4.340 0.000 0.000 0.243 15 R C 1.784 178.100 176.300 0.026 0.000 1.161 15 R CA 1.566 57.675 56.100 0.015 0.000 1.007 15 R CB -0.135 30.169 30.300 0.007 0.000 0.867 15 R HN 0.222 nan 8.270 nan 0.000 0.472 16 K N -0.829 119.592 120.400 0.034 0.000 2.063 16 K HA 0.006 4.326 4.320 0.000 0.000 0.204 16 K C 2.023 178.660 176.600 0.061 0.000 1.039 16 K CA 0.943 57.257 56.287 0.046 0.000 0.957 16 K CB -0.037 32.495 32.500 0.053 0.000 0.764 16 K HN -0.056 nan 8.250 nan 0.000 0.447 17 V N 2.064 122.025 119.914 0.078 0.000 2.252 17 V HA -0.327 3.793 4.120 0.000 0.000 0.249 17 V C 2.256 178.396 176.094 0.076 0.000 1.056 17 V CA 1.813 64.172 62.300 0.098 0.000 1.022 17 V CB -0.546 31.345 31.823 0.114 0.000 0.641 17 V HN 0.316 nan 8.190 nan 0.000 0.445 18 R N -0.846 119.692 120.500 0.064 0.000 2.159 18 R HA -0.291 4.049 4.340 0.000 0.000 0.249 18 R C 2.168 178.497 176.300 0.048 0.000 1.136 18 R CA 2.142 58.276 56.100 0.057 0.000 0.951 18 R CB -0.864 29.464 30.300 0.047 0.000 0.876 18 R HN 0.328 nan 8.270 nan 0.000 0.440 19 L N 0.082 121.331 121.223 0.043 0.000 2.085 19 L HA -0.274 4.066 4.340 0.000 0.000 0.218 19 L C 2.482 179.374 176.870 0.037 0.000 1.080 19 L CA 2.031 56.893 54.840 0.037 0.000 0.776 19 L CB -0.781 41.299 42.059 0.035 0.000 0.891 19 L HN 0.287 nan 8.230 nan 0.000 0.437 20 V N -4.579 115.361 119.914 0.043 0.000 2.500 20 V HA -0.037 4.083 4.120 0.000 0.000 0.243 20 V C 2.172 178.287 176.094 0.034 0.000 1.039 20 V CA 1.054 63.377 62.300 0.038 0.000 1.053 20 V CB -0.309 31.540 31.823 0.043 0.000 0.695 20 V HN 0.115 nan 8.190 nan 0.000 0.463 21 V N 1.676 121.615 119.914 0.041 0.000 2.380 21 V HA -0.269 3.851 4.120 0.000 0.000 0.251 21 V C 2.570 178.675 176.094 0.019 0.000 1.063 21 V CA 2.696 65.015 62.300 0.032 0.000 1.055 21 V CB -1.009 30.843 31.823 0.048 0.000 0.657 21 V HN 0.594 nan 8.190 nan 0.000 0.455 22 D N -0.361 120.055 120.400 0.027 0.000 2.144 22 D HA -0.131 4.509 4.640 0.000 0.000 0.199 22 D C 1.919 178.228 176.300 0.015 0.000 0.984 22 D CA 0.882 54.894 54.000 0.021 0.000 0.834 22 D CB -0.267 40.549 40.800 0.026 0.000 0.955 22 D HN 0.270 nan 8.370 nan 0.000 0.465 23 L N 0.742 121.976 121.223 0.018 0.000 2.261 23 L HA -0.084 4.256 4.340 0.000 0.000 0.216 23 L C 1.920 178.797 176.870 0.012 0.000 1.114 23 L CA 1.220 56.070 54.840 0.018 0.000 0.777 23 L CB -0.363 41.709 42.059 0.022 0.000 0.910 23 L HN 0.219 nan 8.230 nan 0.000 0.440 24 I N -4.534 116.038 120.570 0.003 0.000 4.147 24 I HA 0.226 4.396 4.170 0.000 0.000 0.329 24 I C 0.925 177.025 176.117 -0.027 0.000 1.424 24 I CA -0.588 60.708 61.300 -0.007 0.000 1.127 24 I CB -0.051 37.942 38.000 -0.012 0.000 1.128 24 I HN -0.101 nan 8.210 nan 0.000 0.417 25 R N 2.604 123.087 120.500 -0.029 0.000 2.570 25 R HA 0.315 4.655 4.340 0.000 0.000 0.277 25 R C 0.754 177.027 176.300 -0.046 0.000 1.039 25 R CA 1.194 57.261 56.100 -0.055 0.000 1.065 25 R CB 0.300 30.577 30.300 -0.038 0.000 0.964 25 R HN 0.551 nan 8.270 nan 0.000 0.428 26 G N 4.202 112.947 108.800 -0.092 0.000 2.387 26 G HA2 -0.234 3.726 3.960 0.000 0.000 0.270 26 G HA3 -0.234 3.726 3.960 0.000 0.000 0.270 26 G C -0.939 173.983 174.900 0.037 0.000 0.957 26 G CA 0.110 45.187 45.100 -0.039 0.000 1.352 26 G HN 0.480 nan 8.290 nan 0.000 0.457 27 K N 0.314 120.740 120.400 0.045 0.000 2.557 27 K HA 0.455 4.775 4.320 0.000 0.000 0.261 27 K C 0.289 176.960 176.600 0.118 0.000 0.932 27 K CA -0.282 56.052 56.287 0.078 0.000 0.829 27 K CB 1.627 34.146 32.500 0.032 0.000 1.358 27 K HN 0.938 nan 8.250 nan 0.000 0.430 28 S N 1.667 117.440 115.700 0.122 0.000 2.544 28 S HA -0.029 4.441 4.470 0.000 0.000 0.290 28 S C 1.421 176.069 174.600 0.079 0.000 1.276 28 S CA -0.471 57.801 58.200 0.120 0.000 1.075 28 S CB 0.347 63.593 63.200 0.076 0.000 0.849 28 S HN 0.643 nan 8.310 nan 0.000 0.494 29 L N 2.248 123.521 121.223 0.083 0.000 2.230 29 L HA -0.207 4.133 4.340 0.000 0.000 0.217 29 L C 2.184 179.069 176.870 0.024 0.000 1.090 29 L CA 2.502 57.367 54.840 0.042 0.000 0.771 29 L CB -0.765 41.318 42.059 0.040 0.000 0.892 29 L HN 1.004 nan 8.230 nan 0.000 0.438 30 E N -1.134 119.083 120.200 0.030 0.000 2.166 30 E HA -0.190 4.160 4.350 0.000 0.000 0.192 30 E C 2.079 178.692 176.600 0.022 0.000 0.967 30 E CA 0.619 57.031 56.400 0.020 0.000 0.840 30 E CB -0.121 29.592 29.700 0.021 0.000 0.795 30 E HN 0.697 nan 8.360 nan 0.000 0.470 31 E N 0.320 120.539 120.200 0.031 0.000 2.077 31 E HA -0.216 4.134 4.350 0.000 0.000 0.193 31 E C 1.844 178.460 176.600 0.027 0.000 0.989 31 E CA 1.124 57.544 56.400 0.032 0.000 0.800 31 E CB -0.091 29.632 29.700 0.038 0.000 0.746 31 E HN 0.306 nan 8.360 nan 0.000 0.452 32 A N 1.428 124.261 122.820 0.021 0.000 1.841 32 A HA -0.165 4.155 4.320 0.000 0.000 0.214 32 A C 2.199 179.780 177.584 -0.004 0.000 1.195 32 A CA 1.518 53.560 52.037 0.008 0.000 0.611 32 A CB -0.545 18.456 19.000 0.001 0.000 0.835 32 A HN 0.192 nan 8.150 nan 0.000 0.443 33 R N -0.434 120.059 120.500 -0.011 0.000 2.113 33 R HA -0.203 4.137 4.340 0.000 0.000 0.244 33 R C 2.015 178.291 176.300 -0.040 0.000 1.142 33 R CA 1.841 57.922 56.100 -0.032 0.000 0.953 33 R CB -0.529 29.753 30.300 -0.031 0.000 0.860 33 R HN 0.566 nan 8.270 nan 0.000 0.438 34 N N 0.191 118.884 118.700 -0.012 0.000 2.120 34 N HA -0.117 4.623 4.740 0.000 0.000 0.188 34 N C 1.638 177.169 175.510 0.035 0.000 1.024 34 N CA 1.005 54.060 53.050 0.009 0.000 0.852 34 N CB -0.103 38.414 38.487 0.050 0.000 1.003 34 N HN 0.075 nan 8.380 nan 0.000 0.424 35 I N 0.927 121.518 120.570 0.034 0.000 2.060 35 I HA -0.237 3.933 4.170 0.000 0.000 0.233 35 I C 2.179 178.314 176.117 0.029 0.000 1.054 35 I CA 1.056 62.384 61.300 0.048 0.000 1.318 35 I CB -1.322 36.698 38.000 0.033 0.000 1.054 35 I HN 0.147 nan 8.210 nan 0.000 0.395 36 L N 0.152 121.375 121.223 -0.000 0.000 2.054 36 L HA -0.337 4.003 4.340 0.000 0.000 0.220 36 L C 2.751 179.590 176.870 -0.051 0.000 1.081 36 L CA 1.947 56.775 54.840 -0.019 0.000 0.780 36 L CB -0.770 41.268 42.059 -0.036 0.000 0.893 36 L HN 0.280 nan 8.230 nan 0.000 0.438 37 R N -0.129 120.306 120.500 -0.109 0.000 2.133 37 R HA -0.247 4.093 4.340 0.000 0.000 0.245 37 R C 1.393 177.497 176.300 -0.326 0.000 1.137 37 R CA 2.050 57.992 56.100 -0.264 0.000 0.947 37 R CB -0.568 29.504 30.300 -0.380 0.000 0.865 37 R HN 0.377 nan 8.270 nan 0.000 0.437 38 Y N -0.385 119.916 120.300 0.001 0.000 2.658 38 Y HA 0.328 4.878 4.550 0.000 0.000 0.276 38 Y C -0.326 175.575 175.900 0.002 0.000 1.167 38 Y CA -0.261 57.840 58.100 0.002 0.000 1.230 38 Y CB 0.347 38.808 38.460 0.002 0.000 1.144 38 Y HN -0.104 nan 8.280 nan 0.000 0.529 39 T N 0.840 115.461 114.554 0.112 0.000 2.738 39 T HA 0.038 4.388 4.350 0.000 0.000 0.298 39 T C 0.166 174.900 174.700 0.056 0.000 0.962 39 T CA -0.646 61.500 62.100 0.076 0.000 0.972 39 T CB 0.136 69.034 68.868 0.049 0.000 0.928 39 T HN 0.086 nan 8.240 nan 0.000 0.474 40 N N 4.953 123.687 118.700 0.057 0.000 2.454 40 N HA 0.036 4.776 4.740 0.000 0.000 0.285 40 N C -0.565 174.961 175.510 0.026 0.000 1.233 40 N CA 0.370 53.444 53.050 0.040 0.000 1.036 40 N CB -0.263 38.247 38.487 0.038 0.000 1.423 40 N HN 0.455 nan 8.380 nan 0.000 0.495 41 K N 1.735 122.146 120.400 0.018 0.000 2.598 41 K HA 0.075 4.395 4.320 0.000 0.000 0.271 41 K C 0.461 177.061 176.600 -0.000 0.000 0.947 41 K CA -0.597 55.699 56.287 0.016 0.000 0.854 41 K CB 1.363 33.880 32.500 0.029 0.000 1.401 41 K HN 0.278 nan 8.250 nan 0.000 0.415 42 R N 0.841 121.342 120.500 0.001 0.000 2.152 42 R HA -0.081 4.259 4.340 0.000 0.000 0.232 42 R C 1.634 177.915 176.300 -0.030 0.000 1.117 42 R CA 2.244 58.323 56.100 -0.034 0.000 0.981 42 R CB -0.335 29.979 30.300 0.023 0.000 0.870 42 R HN 0.833 nan 8.270 nan 0.000 0.451 43 G N -0.065 108.773 108.800 0.063 0.000 2.432 43 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 43 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 43 G C 1.437 176.379 174.900 0.069 0.000 1.135 43 G CA 0.689 45.866 45.100 0.130 0.000 0.767 43 G HN 0.465 nan 8.290 nan 0.000 0.550 44 A N 0.737 123.567 122.820 0.018 0.000 1.852 44 A HA -0.230 4.090 4.320 0.000 0.000 0.217 44 A C 2.128 179.690 177.584 -0.037 0.000 1.215 44 A CA 2.016 54.051 52.037 -0.002 0.000 0.641 44 A CB -1.240 17.757 19.000 -0.006 0.000 0.838 44 A HN 0.545 nan 8.150 nan 0.000 0.450 45 Y N -0.380 119.774 120.300 -0.242 0.000 2.108 45 Y HA -0.357 4.193 4.550 0.000 0.000 0.274 45 Y C 1.987 177.717 175.900 -0.283 0.000 1.229 45 Y CA 2.646 60.537 58.100 -0.348 0.000 1.129 45 Y CB -0.509 37.587 38.460 -0.606 0.000 0.946 45 Y HN 0.301 nan 8.280 nan 0.000 0.509 46 F N -1.584 118.437 119.950 0.119 0.000 2.149 46 F HA -0.095 4.432 4.527 0.000 0.000 0.294 46 F C 2.428 178.203 175.800 -0.041 0.000 1.095 46 F CA 1.175 59.190 58.000 0.025 0.000 1.276 46 F CB -1.369 37.707 39.000 0.128 0.000 1.023 46 F HN -0.185 nan 8.300 nan 0.000 0.480 47 V N 0.199 120.208 119.914 0.158 0.000 2.720 47 V HA -0.269 3.851 4.120 0.000 0.000 0.256 47 V C 2.415 178.509 176.094 0.000 0.000 1.082 47 V CA 1.456 63.800 62.300 0.074 0.000 1.101 47 V CB -1.388 30.471 31.823 0.061 0.000 0.693 47 V HN 0.341 nan 8.190 nan 0.000 0.479 48 A N 0.174 122.963 122.820 -0.052 0.000 1.826 48 A HA -0.219 4.101 4.320 0.000 0.000 0.214 48 A C 2.280 179.796 177.584 -0.114 0.000 1.212 48 A CA 1.924 53.901 52.037 -0.099 0.000 0.605 48 A CB -0.622 18.284 19.000 -0.157 0.000 0.861 48 A HN 0.443 nan 8.150 nan 0.000 0.447 49 K N -0.557 119.729 120.400 -0.191 0.000 2.107 49 K HA -0.194 4.126 4.320 0.000 0.000 0.211 49 K C 1.792 178.352 176.600 -0.068 0.000 1.049 49 K CA 1.937 58.125 56.287 -0.166 0.000 0.927 49 K CB -0.413 31.944 32.500 -0.238 0.000 0.714 49 K HN 0.237 nan 8.250 nan 0.000 0.452 50 V N 1.014 120.913 119.914 -0.025 0.000 2.515 50 V HA -0.171 3.949 4.120 0.000 0.000 0.250 50 V C 2.003 178.083 176.094 -0.024 0.000 1.058 50 V CA 1.320 63.616 62.300 -0.006 0.000 1.064 50 V CB -0.162 31.675 31.823 0.024 0.000 0.675 50 V HN 0.402 nan 8.190 nan 0.000 0.461 51 L N -0.400 120.803 121.223 -0.034 0.000 1.973 51 L HA -0.165 4.175 4.340 0.000 0.000 0.208 51 L C 2.637 179.484 176.870 -0.038 0.000 1.073 51 L CA 2.288 57.104 54.840 -0.040 0.000 0.746 51 L CB -0.424 41.609 42.059 -0.043 0.000 0.891 51 L HN 0.341 nan 8.230 nan 0.000 0.433 52 E N -0.260 119.914 120.200 -0.044 0.000 2.108 52 E HA -0.284 4.066 4.350 0.000 0.000 0.203 52 E C 2.282 178.866 176.600 -0.027 0.000 1.022 52 E CA 1.837 58.214 56.400 -0.038 0.000 0.823 52 E CB -0.341 29.328 29.700 -0.051 0.000 0.744 52 E HN 0.407 nan 8.360 nan 0.000 0.456 53 S N -0.825 114.859 115.700 -0.027 0.000 2.359 53 S HA -0.190 4.281 4.470 0.000 0.000 0.224 53 S C 2.034 176.627 174.600 -0.011 0.000 1.035 53 S CA 1.580 59.770 58.200 -0.015 0.000 1.018 53 S CB -0.391 62.801 63.200 -0.012 0.000 0.876 53 S HN 0.371 nan 8.310 nan 0.000 0.448 54 A N 1.288 124.095 122.820 -0.021 0.000 1.930 54 A HA 0.261 4.581 4.320 0.000 0.000 0.217 54 A C 2.487 180.057 177.584 -0.023 0.000 1.175 54 A CA 1.793 53.814 52.037 -0.028 0.000 0.627 54 A CB -1.385 17.586 19.000 -0.048 0.000 0.815 54 A HN 0.792 nan 8.150 nan 0.000 0.443 55 A N 0.018 122.826 122.820 -0.020 0.000 1.877 55 A HA 0.169 4.489 4.320 0.000 0.000 0.216 55 A C 2.298 179.884 177.584 0.004 0.000 1.186 55 A CA 1.858 53.889 52.037 -0.010 0.000 0.620 55 A CB -0.972 18.021 19.000 -0.010 0.000 0.822 55 A HN 1.166 nan 8.150 nan 0.000 0.443 56 A N -0.877 121.945 122.820 0.004 0.000 2.258 56 A HA 0.014 4.334 4.320 0.000 0.000 0.206 56 A C 1.446 179.048 177.584 0.031 0.000 1.222 56 A CA 1.077 53.122 52.037 0.012 0.000 0.822 56 A CB -0.732 18.270 19.000 0.004 0.000 0.804 56 A HN 0.742 nan 8.150 nan 0.000 0.483 57 N N -1.090 117.636 118.700 0.044 0.000 2.564 57 N HA 0.146 4.886 4.740 0.000 0.000 0.202 57 N C 1.993 177.600 175.510 0.161 0.000 1.052 57 N CA 0.580 53.690 53.050 0.100 0.000 0.872 57 N CB 0.039 38.576 38.487 0.084 0.000 1.303 57 N HN 0.367 nan 8.380 nan 0.000 0.440 58 A N 1.183 124.038 122.820 0.060 0.000 1.851 58 A HA -0.115 4.205 4.320 0.000 0.000 0.216 58 A C 2.299 179.933 177.584 0.084 0.000 1.195 58 A CA 1.341 53.400 52.037 0.038 0.000 0.622 58 A CB -1.021 17.976 19.000 -0.005 0.000 0.831 58 A HN 0.099 nan 8.150 nan 0.000 0.444 59 V N 0.618 120.564 119.914 0.053 0.000 2.237 59 V HA -0.261 3.859 4.120 0.000 0.000 0.245 59 V C 2.367 178.489 176.094 0.046 0.000 1.046 59 V CA 2.296 64.620 62.300 0.041 0.000 1.007 59 V CB -0.792 31.045 31.823 0.024 0.000 0.638 59 V HN 0.637 nan 8.190 nan 0.000 0.445 60 N N 0.279 119.007 118.700 0.046 0.000 2.046 60 N HA -0.151 4.589 4.740 0.000 0.000 0.190 60 N C 1.507 177.026 175.510 0.014 0.000 1.085 60 N CA 2.014 55.080 53.050 0.027 0.000 0.876 60 N CB -0.528 37.971 38.487 0.021 0.000 1.052 60 N HN 0.555 nan 8.380 nan 0.000 0.432 61 N N -0.528 118.176 118.700 0.007 0.000 2.417 61 N HA -0.163 4.577 4.740 0.000 0.000 0.187 61 N C 0.114 175.410 175.510 -0.356 0.000 1.027 61 N CA 0.868 53.822 53.050 -0.161 0.000 0.891 61 N CB -0.054 38.309 38.487 -0.207 0.000 0.956 61 N HN 0.457 nan 8.380 nan 0.000 0.442 62 H N -0.211 118.855 119.070 -0.007 0.000 3.052 62 H HA 0.073 4.629 4.556 0.000 0.000 0.257 62 H C -0.905 174.420 175.328 -0.006 0.000 1.193 62 H CA -0.700 55.345 56.048 -0.006 0.000 1.072 62 H CB 0.007 29.767 29.762 -0.005 0.000 1.685 62 H HN 0.155 nan 8.280 nan 0.000 0.630 63 D N 1.191 121.641 120.400 0.085 0.000 3.594 63 D HA -0.265 4.375 4.640 0.000 0.000 0.197 63 D C 0.307 176.635 176.300 0.047 0.000 1.142 63 D CA 0.651 54.679 54.000 0.047 0.000 0.988 63 D CB -0.443 40.370 40.800 0.021 0.000 0.822 63 D HN 0.506 nan 8.370 nan 0.000 0.420 64 M N 0.412 120.036 119.600 0.040 0.000 2.329 64 M HA 0.111 4.591 4.480 0.000 0.000 0.281 64 M C 0.033 176.336 176.300 0.005 0.000 1.088 64 M CA -0.433 54.880 55.300 0.022 0.000 1.108 64 M CB 0.718 33.331 32.600 0.023 0.000 1.657 64 M HN 0.351 nan 8.290 nan 0.000 0.579 65 L N 1.818 123.047 121.223 0.009 0.000 2.020 65 L HA -0.144 4.196 4.340 0.000 0.000 0.595 65 L C 0.718 177.592 176.870 0.007 0.000 0.999 65 L CA 0.531 55.373 54.840 0.003 0.000 1.275 65 L CB -0.602 41.452 42.059 -0.009 0.000 2.034 65 L HN 0.518 nan 8.230 nan 0.000 1.022 66 E N 2.021 122.227 120.200 0.010 0.000 2.187 66 E HA -0.241 4.109 4.350 0.000 0.000 0.199 66 E C 0.833 177.443 176.600 0.017 0.000 1.004 66 E CA 2.001 58.409 56.400 0.014 0.000 0.813 66 E CB 0.163 29.869 29.700 0.010 0.000 0.736 66 E HN 0.822 nan 8.360 nan 0.000 0.468 67 D N -0.632 119.776 120.400 0.012 0.000 2.347 67 D HA -0.059 4.581 4.640 0.000 0.000 0.215 67 D C 1.088 177.399 176.300 0.018 0.000 0.976 67 D CA 0.672 54.681 54.000 0.016 0.000 0.884 67 D CB 0.127 40.934 40.800 0.013 0.000 0.915 67 D HN 0.262 nan 8.370 nan 0.000 0.526 68 R N -0.187 120.317 120.500 0.006 0.000 2.508 68 R HA 0.283 4.623 4.340 0.000 0.000 0.300 68 R C 0.389 176.696 176.300 0.012 0.000 0.970 68 R CA -0.202 55.889 56.100 -0.014 0.000 1.102 68 R CB 0.995 31.246 30.300 -0.082 0.000 1.246 68 R HN -0.003 nan 8.270 nan 0.000 0.539 69 L N 2.283 123.540 121.223 0.057 0.000 2.331 69 L HA 0.314 4.654 4.340 0.000 0.000 0.278 69 L C -0.246 176.757 176.870 0.222 0.000 1.106 69 L CA -0.455 54.460 54.840 0.125 0.000 0.824 69 L CB 0.395 42.496 42.059 0.070 0.000 1.142 69 L HN 0.169 nan 8.230 nan 0.000 0.443 70 Y N 0.244 120.535 120.300 -0.015 0.000 2.625 70 Y HA 0.546 5.096 4.550 0.000 0.000 0.338 70 Y C -0.762 175.121 175.900 -0.028 0.000 1.123 70 Y CA -1.602 56.490 58.100 -0.013 0.000 1.046 70 Y CB 1.367 39.827 38.460 0.000 0.000 1.299 70 Y HN 0.028 nan 8.280 nan 0.000 0.464 71 V N 3.795 123.520 119.914 -0.315 0.000 2.377 71 V HA 0.008 4.128 4.120 0.000 0.000 0.254 71 V C 1.171 176.826 176.094 -0.732 0.000 1.060 71 V CA 0.232 62.287 62.300 -0.408 0.000 1.068 71 V CB 0.227 31.922 31.823 -0.214 0.000 1.113 71 V HN 0.908 nan 8.190 nan 0.000 0.484 72 K N 3.443 123.343 120.400 -0.834 0.000 2.148 72 K HA 0.154 4.474 4.320 0.000 0.000 0.204 72 K C 0.652 177.034 176.600 -0.362 0.000 1.050 72 K CA 1.260 57.115 56.287 -0.720 0.000 0.942 72 K CB 0.175 32.433 32.500 -0.403 0.000 0.724 72 K HN 0.806 nan 8.250 nan 0.000 0.446 73 A N -0.963 121.666 122.820 -0.318 0.000 2.583 73 A HA 0.680 5.001 4.320 0.000 0.000 0.292 73 A C -1.813 175.568 177.584 -0.338 0.000 1.045 73 A CA -0.421 51.455 52.037 -0.270 0.000 0.672 73 A CB 1.212 20.069 19.000 -0.238 0.000 1.283 73 A HN 0.181 nan 8.150 nan 0.000 0.419 74 A N 0.163 122.771 122.820 -0.354 0.000 2.599 74 A HA 0.933 5.253 4.320 0.000 0.000 0.294 74 A C -1.144 176.292 177.584 -0.247 0.000 1.055 74 A CA 0.062 51.869 52.037 -0.384 0.000 0.683 74 A CB 0.706 19.595 19.000 -0.186 0.000 1.278 74 A HN 2.359 nan 8.150 nan 0.000 0.412 75 Y N -2.011 118.288 120.300 -0.003 0.000 2.662 75 Y HA 0.699 5.249 4.550 0.000 0.000 0.334 75 Y C -1.405 174.509 175.900 0.024 0.000 1.185 75 Y CA -1.419 56.687 58.100 0.009 0.000 1.074 75 Y CB 1.392 39.856 38.460 0.007 0.000 1.330 75 Y HN 1.139 nan 8.280 nan 0.000 0.458 76 V N 2.753 122.829 119.914 0.270 0.000 2.482 76 V HA 0.438 4.558 4.120 0.000 0.000 0.295 76 V C -1.301 174.836 176.094 0.073 0.000 1.026 76 V CA -0.253 62.151 62.300 0.174 0.000 0.856 76 V CB 1.367 33.264 31.823 0.123 0.000 1.001 76 V HN 0.881 nan 8.190 nan 0.000 0.424 77 D N 4.050 124.481 120.400 0.051 0.000 2.340 77 D HA 0.307 4.947 4.640 0.000 0.000 0.251 77 D C -0.443 175.815 176.300 -0.070 0.000 1.080 77 D CA -0.219 53.769 54.000 -0.020 0.000 0.971 77 D CB 2.135 42.925 40.800 -0.017 0.000 1.137 77 D HN 0.780 nan 8.370 nan 0.000 0.475 78 E N -0.312 119.816 120.200 -0.121 0.000 2.283 78 E HA 0.479 4.829 4.350 0.000 0.000 0.278 78 E C -0.204 176.177 176.600 -0.366 0.000 1.027 78 E CA -0.581 55.699 56.400 -0.200 0.000 0.843 78 E CB 0.923 30.547 29.700 -0.127 0.000 1.062 78 E HN 0.455 nan 8.360 nan 0.000 0.401 79 G N 3.609 112.078 108.800 -0.550 0.000 2.552 79 G HA2 0.422 4.382 3.960 0.000 0.000 0.318 79 G HA3 0.422 4.382 3.960 0.000 0.000 0.318 79 G C -2.371 172.322 174.900 -0.344 0.000 1.240 79 G CA -1.530 43.166 45.100 -0.674 0.000 1.002 79 G HN 0.591 nan 8.290 nan 0.000 0.493 80 P HA 0.231 nan 4.420 nan 0.000 0.264 80 P C 0.185 177.358 177.300 -0.211 0.000 1.193 80 P CA 0.134 63.100 63.100 -0.224 0.000 0.763 80 P CB 0.833 32.390 31.700 -0.239 0.000 0.810 81 A N 3.819 126.552 122.820 -0.145 0.000 2.366 81 A HA 0.275 4.595 4.320 0.000 0.000 0.250 81 A C -0.093 177.430 177.584 -0.103 0.000 1.099 81 A CA -0.103 51.866 52.037 -0.114 0.000 0.794 81 A CB -0.213 18.738 19.000 -0.082 0.000 1.056 81 A HN 0.531 nan 8.150 nan 0.000 0.499 82 L N 1.577 122.753 121.223 -0.079 0.000 2.408 82 L HA 0.265 4.605 4.340 0.000 0.000 0.257 82 L C -0.275 176.569 176.870 -0.044 0.000 1.053 82 L CA -0.161 54.642 54.840 -0.062 0.000 0.922 82 L CB 0.846 42.872 42.059 -0.056 0.000 1.261 82 L HN 0.542 nan 8.230 nan 0.000 0.458 83 K N 4.316 124.692 120.400 -0.040 0.000 2.412 83 K HA 0.258 4.578 4.320 0.000 0.000 0.284 83 K C -0.142 176.444 176.600 -0.023 0.000 1.046 83 K CA -0.158 56.111 56.287 -0.030 0.000 0.999 83 K CB 0.673 33.157 32.500 -0.028 0.000 0.941 83 K HN 0.317 nan 8.250 nan 0.000 0.474 84 R N 1.345 121.833 120.500 -0.019 0.000 2.795 84 R HA 0.435 4.775 4.340 0.000 0.000 0.275 84 R C -0.586 175.707 176.300 -0.012 0.000 0.981 84 R CA -1.091 55.001 56.100 -0.014 0.000 0.917 84 R CB 1.746 32.039 30.300 -0.012 0.000 1.202 84 R HN 0.229 nan 8.270 nan 0.000 0.469 85 V N 2.854 122.762 119.914 -0.009 0.000 2.539 85 V HA 0.339 4.459 4.120 0.000 0.000 0.292 85 V C -0.475 175.615 176.094 -0.006 0.000 1.045 85 V CA -0.734 61.562 62.300 -0.008 0.000 0.945 85 V CB 1.658 33.477 31.823 -0.007 0.000 0.993 85 V HN 0.431 nan 8.190 nan 0.000 0.464 86 L N 8.745 129.965 121.223 -0.006 0.000 2.345 86 L HA 0.632 4.972 4.340 0.000 0.000 0.274 86 L C -2.477 174.390 176.870 -0.004 0.000 0.999 86 L CA -2.311 52.526 54.840 -0.005 0.000 0.849 86 L CB 1.761 43.816 42.059 -0.005 0.000 1.220 86 L HN 0.394 nan 8.230 nan 0.000 0.422 87 P HA 0.205 nan 4.420 nan 0.000 0.271 87 P C -0.775 176.523 177.300 -0.003 0.000 1.226 87 P CA -0.103 62.995 63.100 -0.003 0.000 0.765 87 P CB 1.044 32.743 31.700 -0.003 0.000 0.835 88 R N 2.039 122.537 120.500 -0.003 0.000 2.944 88 R HA 0.708 5.048 4.340 0.000 0.000 0.233 88 R C 0.078 176.376 176.300 -0.002 0.000 1.346 88 R CA -1.242 54.857 56.100 -0.003 0.000 1.082 88 R CB 0.339 30.637 30.300 -0.003 0.000 1.434 88 R HN 0.503 nan 8.270 nan 0.000 0.510 89 A N 0.860 123.679 122.820 -0.002 0.000 2.407 89 A HA 0.286 4.606 4.320 0.000 0.000 0.248 89 A C 0.035 177.617 177.584 -0.002 0.000 1.082 89 A CA -0.057 51.979 52.037 -0.002 0.000 0.785 89 A CB 0.058 19.057 19.000 -0.002 0.000 1.020 89 A HN 0.661 nan 8.150 nan 0.000 0.489 90 R N 0.584 121.083 120.500 -0.002 0.000 3.423 90 R HA -0.191 4.149 4.340 0.000 0.000 0.271 90 R C 0.929 177.228 176.300 -0.002 0.000 1.093 90 R CA 0.781 56.880 56.100 -0.002 0.000 0.730 90 R CB -2.405 27.894 30.300 -0.002 0.000 1.190 90 R HN 2.420 nan 8.270 nan 0.000 0.437 91 G N 0.286 109.085 108.800 -0.002 0.000 2.321 91 G HA2 -0.396 3.564 3.960 0.000 0.000 0.287 91 G HA3 -0.396 3.564 3.960 0.000 0.000 0.287 91 G C 0.974 175.872 174.900 -0.003 0.000 1.018 91 G CA 0.936 46.035 45.100 -0.002 0.000 0.855 91 G HN 0.559 nan 8.290 nan 0.000 0.507 92 R N 0.408 120.907 120.500 -0.003 0.000 2.073 92 R HA 0.353 4.693 4.340 0.000 0.000 0.229 92 R C 1.776 178.074 176.300 -0.004 0.000 1.120 92 R CA 1.030 57.128 56.100 -0.003 0.000 0.967 92 R CB -0.286 30.012 30.300 -0.003 0.000 0.862 92 R HN 1.730 nan 8.270 nan 0.000 0.436 93 A N 2.327 125.145 122.820 -0.004 0.000 1.442 93 A HA -0.163 4.157 4.320 0.000 0.000 0.185 93 A C -1.027 176.553 177.584 -0.005 0.000 1.221 93 A CA 0.739 52.774 52.037 -0.004 0.000 0.594 93 A CB -0.762 18.235 19.000 -0.004 0.000 1.144 93 A HN 0.384 nan 8.150 nan 0.000 0.160 94 D N 0.599 120.995 120.400 -0.006 0.000 2.392 94 D HA 0.751 5.391 4.640 0.000 0.000 0.246 94 D C 0.630 176.925 176.300 -0.008 0.000 1.013 94 D CA 0.278 54.274 54.000 -0.007 0.000 0.993 94 D CB 1.280 42.076 40.800 -0.006 0.000 1.219 94 D HN 1.021 nan 8.370 nan 0.000 0.538 95 I N -1.364 119.201 120.570 -0.010 0.000 2.389 95 I HA 0.514 4.684 4.170 0.000 0.000 0.288 95 I C -0.480 175.629 176.117 -0.013 0.000 0.999 95 I CA -0.820 60.473 61.300 -0.012 0.000 1.129 95 I CB 1.542 39.534 38.000 -0.013 0.000 1.288 95 I HN 0.148 nan 8.210 nan 0.000 0.444 96 I N 5.763 126.326 120.570 -0.013 0.000 2.577 96 I HA 0.344 4.514 4.170 0.000 0.000 0.300 96 I C -0.154 175.952 176.117 -0.019 0.000 0.990 96 I CA -0.626 60.666 61.300 -0.014 0.000 1.283 96 I CB 0.994 38.987 38.000 -0.011 0.000 1.411 96 I HN 0.631 nan 8.210 nan 0.000 0.515 97 K N 6.925 127.312 120.400 -0.021 0.000 2.404 97 K HA 0.290 4.610 4.320 0.000 0.000 0.257 97 K C -1.083 175.499 176.600 -0.029 0.000 1.026 97 K CA -0.869 55.401 56.287 -0.029 0.000 0.951 97 K CB 1.060 33.541 32.500 -0.033 0.000 1.203 97 K HN 0.326 nan 8.250 nan 0.000 0.446 98 K N 4.061 124.442 120.400 -0.032 0.000 2.228 98 K HA 0.129 4.449 4.320 0.000 0.000 0.284 98 K C 0.556 177.128 176.600 -0.047 0.000 1.088 98 K CA -0.149 56.120 56.287 -0.030 0.000 0.941 98 K CB 0.325 32.808 32.500 -0.028 0.000 1.158 98 K HN 0.290 nan 8.250 nan 0.000 0.438 99 R N 0.675 121.147 120.500 -0.046 0.000 2.738 99 R HA 0.222 4.562 4.340 0.000 0.000 0.275 99 R C 0.495 176.745 176.300 -0.084 0.000 1.121 99 R CA -0.054 56.006 56.100 -0.067 0.000 1.207 99 R CB 0.376 30.644 30.300 -0.054 0.000 1.141 99 R HN 0.379 nan 8.270 nan 0.000 0.571 100 T N -0.323 114.159 114.554 -0.121 0.000 2.933 100 T HA 0.358 4.708 4.350 0.000 0.000 0.305 100 T C -1.006 173.586 174.700 -0.179 0.000 1.092 100 T CA -0.387 61.626 62.100 -0.145 0.000 1.008 100 T CB 1.218 69.973 68.868 -0.188 0.000 1.102 100 T HN 0.496 nan 8.240 nan 0.000 0.469 101 S N 2.026 117.652 115.700 -0.124 0.000 2.681 101 S HA 0.528 4.998 4.470 0.000 0.000 0.299 101 S C -0.821 173.788 174.600 0.015 0.000 1.113 101 S CA -0.723 57.423 58.200 -0.089 0.000 1.013 101 S CB 0.903 64.095 63.200 -0.014 0.000 1.076 101 S HN 0.782 nan 8.310 nan 0.000 0.534 102 H N 0.552 119.636 119.070 0.023 0.000 2.380 102 H HA 0.353 4.909 4.556 0.000 0.000 0.231 102 H C -0.709 174.662 175.328 0.072 0.000 1.415 102 H CA -0.482 55.595 56.048 0.048 0.000 1.433 102 H CB 0.206 29.997 29.762 0.047 0.000 1.544 102 H HN 0.402 nan 8.280 nan 0.000 0.503 103 I N 2.341 123.018 120.570 0.178 0.000 2.618 103 I HA 0.003 4.173 4.170 0.000 0.000 0.284 103 I C 0.294 176.493 176.117 0.138 0.000 1.146 103 I CA 0.754 62.143 61.300 0.148 0.000 1.425 103 I CB 0.617 38.684 38.000 0.112 0.000 1.383 103 I HN 0.377 nan 8.210 nan 0.000 0.562 104 T N 5.841 120.493 114.554 0.163 0.000 2.861 104 T HA 0.652 5.002 4.350 0.000 0.000 0.287 104 T C -0.382 174.280 174.700 -0.064 0.000 1.003 104 T CA -0.540 61.619 62.100 0.099 0.000 0.977 104 T CB 2.125 71.174 68.868 0.302 0.000 0.996 104 T HN 0.254 nan 8.240 nan 0.000 0.448 105 V N 3.719 123.575 119.914 -0.097 0.000 3.007 105 V HA 0.732 4.852 4.120 0.000 0.000 0.311 105 V C -0.808 175.186 176.094 -0.166 0.000 1.120 105 V CA -1.126 61.085 62.300 -0.147 0.000 0.980 105 V CB 2.014 33.782 31.823 -0.090 0.000 1.033 105 V HN 0.938 nan 8.190 nan 0.000 0.429 106 I N 1.510 121.958 120.570 -0.202 0.000 2.649 106 I HA 0.633 4.803 4.170 0.000 0.000 0.289 106 I C -1.831 174.164 176.117 -0.204 0.000 1.222 106 I CA -0.756 60.432 61.300 -0.187 0.000 1.046 106 I CB 2.036 39.917 38.000 -0.197 0.000 1.272 106 I HN 0.232 nan 8.210 nan 0.000 0.425 107 L N 4.515 125.644 121.223 -0.156 0.000 2.330 107 L HA 0.966 5.306 4.340 0.000 0.000 0.271 107 L C 0.534 177.366 176.870 -0.064 0.000 1.013 107 L CA -0.297 54.463 54.840 -0.133 0.000 0.816 107 L CB 1.239 43.263 42.059 -0.058 0.000 1.287 107 L HN 0.965 nan 8.230 nan 0.000 0.435 108 G N 0.368 109.208 108.800 0.067 0.000 2.798 108 G HA2 0.609 4.569 3.960 0.000 0.000 0.286 108 G HA3 0.609 4.569 3.960 0.000 0.000 0.286 108 G C -1.173 173.905 174.900 0.297 0.000 1.389 108 G CA -0.453 44.755 45.100 0.180 0.000 0.894 108 G HN 0.489 nan 8.290 nan 0.000 0.488 109 E N -0.065 120.214 120.200 0.131 0.000 2.231 109 E HA 0.339 4.689 4.350 0.000 0.000 0.277 109 E C -0.675 175.821 176.600 -0.172 0.000 0.999 109 E CA -0.692 55.702 56.400 -0.011 0.000 0.827 109 E CB 1.939 31.604 29.700 -0.057 0.000 1.101 109 E HN 0.218 nan 8.360 nan 0.000 0.393 110 K N 3.555 123.781 120.400 -0.289 0.000 2.276 110 K HA 0.039 4.359 4.320 0.000 0.000 0.283 110 K C 0.095 176.531 176.600 -0.274 0.000 1.044 110 K CA 0.115 56.224 56.287 -0.297 0.000 0.944 110 K CB 0.094 32.516 32.500 -0.130 0.000 1.012 110 K HN 0.646 nan 8.250 nan 0.000 0.472 111 H N 0.322 119.288 119.070 -0.173 0.000 1.452 111 H HA -0.261 4.295 4.556 0.000 0.000 0.090 111 H C 0.173 175.462 175.328 -0.066 0.000 2.680 111 H CA 1.032 57.021 56.048 -0.099 0.000 1.901 111 H CB -1.334 28.377 29.762 -0.086 0.000 2.257 111 H HN 0.668 nan 8.280 nan 0.000 0.961 112 G N -0.525 108.256 108.800 -0.032 0.000 3.377 112 G HA2 0.685 4.645 3.960 0.000 0.000 0.182 112 G HA3 0.685 4.645 3.960 0.000 0.000 0.182 112 G C -0.201 174.691 174.900 -0.014 0.000 1.166 112 G CA 0.482 45.532 45.100 -0.084 0.000 0.771 112 G HN 1.040 nan 8.290 nan 0.000 0.701 113 K N 0.000 120.408 120.400 0.014 0.000 2.780 113 K HA 0.000 4.320 4.320 0.000 0.000 0.191 113 K CA 0.000 56.304 56.287 0.028 0.000 0.838 113 K CB 0.000 32.502 32.500 0.003 0.000 1.064 113 K HN 0.000 nan 8.250 nan 0.000 0.543