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 2nvt_1_K DATA FIRST_RESID 1 DATA SEQUENCE MNAPDRFELF LLGEGESKLK IDPDTKAPNA VVITFEKEDH TLGNLIRAEL DATA SEQUENCE LNDRKVLFAA YKVEHPFFAR FKLRIQTTEG YDPKDALKNA CNSIINKLGA DATA SEQUENCE LKTNFETEWN LQTL 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 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.275 55.300 -0.041 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.029 0.000 1.302 2 N N 1.905 120.570 118.700 -0.059 0.000 2.275 2 N HA 0.483 5.224 4.740 0.000 0.000 0.236 2 N C -0.378 175.064 175.510 -0.113 0.000 1.154 2 N CA 0.401 53.408 53.050 -0.071 0.000 0.866 2 N CB 1.494 39.946 38.487 -0.058 0.000 1.093 2 N HN 0.528 nan 8.380 nan 0.000 0.515 3 A N 2.066 124.818 122.820 -0.113 0.000 2.409 3 A HA 0.418 4.738 4.320 0.000 0.000 0.262 3 A C -1.362 176.123 177.584 -0.165 0.000 1.113 3 A CA -0.753 51.196 52.037 -0.148 0.000 0.790 3 A CB 0.168 19.098 19.000 -0.116 0.000 1.046 3 A HN 0.117 nan 8.150 nan 0.000 0.496 4 P HA 0.260 nan 4.420 nan 0.000 0.293 4 P C -0.852 176.303 177.300 -0.241 0.000 1.298 4 P CA -0.473 62.497 63.100 -0.217 0.000 0.757 4 P CB 0.490 32.036 31.700 -0.256 0.000 1.262 5 D N -0.227 119.978 120.400 -0.326 0.000 2.255 5 D HA 0.111 4.751 4.640 0.000 0.000 0.249 5 D C 1.325 177.302 176.300 -0.538 0.000 1.078 5 D CA -0.346 53.354 54.000 -0.501 0.000 0.896 5 D CB 0.957 41.261 40.800 -0.826 0.000 1.194 5 D HN 0.114 nan 8.370 nan 0.000 0.429 6 R N 2.086 122.331 120.500 -0.424 0.000 2.115 6 R HA -0.090 4.250 4.340 0.000 0.000 0.230 6 R C 1.670 177.795 176.300 -0.292 0.000 1.111 6 R CA 0.859 56.811 56.100 -0.247 0.000 0.976 6 R CB -0.375 29.881 30.300 -0.073 0.000 0.870 6 R HN 0.548 nan 8.270 nan 0.000 0.445 7 F N -0.975 118.816 119.950 -0.265 0.000 2.776 7 F HA 0.322 4.849 4.527 0.000 0.000 0.300 7 F C 1.013 176.360 175.800 -0.755 0.000 1.116 7 F CA -0.401 57.221 58.000 -0.630 0.000 1.375 7 F CB -0.588 38.195 39.000 -0.361 0.000 1.109 7 F HN -0.140 nan 8.300 nan 0.000 0.585 8 E N 1.037 120.859 120.200 -0.631 0.000 2.533 8 E HA -0.029 4.321 4.350 0.000 0.000 0.203 8 E C 1.206 177.684 176.600 -0.203 0.000 1.101 8 E CA 0.252 56.468 56.400 -0.307 0.000 0.894 8 E CB -0.393 29.117 29.700 -0.317 0.000 0.843 8 E HN 0.533 nan 8.360 nan 0.000 0.552 9 L N -0.209 120.815 121.223 -0.332 0.000 2.612 9 L HA 0.062 4.402 4.340 0.000 0.000 0.230 9 L C 0.540 177.438 176.870 0.048 0.000 1.140 9 L CA 0.204 54.976 54.840 -0.114 0.000 0.896 9 L CB 0.125 42.176 42.059 -0.013 0.000 1.065 9 L HN 0.281 nan 8.230 nan 0.000 0.447 10 F N -5.098 114.943 119.950 0.152 0.000 3.227 10 F HA 0.286 4.813 4.527 0.000 0.000 0.400 10 F C -0.474 175.406 175.800 0.133 0.000 1.114 10 F CA -1.018 57.062 58.000 0.132 0.000 0.849 10 F CB -0.252 38.811 39.000 0.105 0.000 1.654 10 F HN -0.295 nan 8.300 nan 0.000 0.501 11 L N 3.689 125.000 121.223 0.147 0.000 2.264 11 L HA 0.532 4.872 4.340 0.000 0.000 0.289 11 L C -0.478 176.479 176.870 0.145 0.000 1.044 11 L CA -0.619 54.333 54.840 0.187 0.000 0.807 11 L CB 1.257 43.406 42.059 0.151 0.000 1.192 11 L HN 0.124 nan 8.230 nan 0.000 0.425 12 L N 4.230 125.522 121.223 0.114 0.000 2.385 12 L HA 0.407 4.748 4.340 0.000 0.000 0.285 12 L C 1.128 178.040 176.870 0.070 0.000 1.125 12 L CA -0.050 54.840 54.840 0.083 0.000 0.890 12 L CB -0.242 41.854 42.059 0.062 0.000 1.251 12 L HN 0.635 nan 8.230 nan 0.000 0.445 13 G N 1.821 110.671 108.800 0.082 0.000 2.340 13 G HA2 0.040 4.000 3.960 0.000 0.000 0.245 13 G HA3 0.040 4.000 3.960 0.000 0.000 0.245 13 G C 0.175 175.099 174.900 0.040 0.000 1.294 13 G CA -0.447 44.699 45.100 0.075 0.000 0.896 13 G HN 0.708 nan 8.290 nan 0.000 0.522 14 E N 1.640 121.859 120.200 0.032 0.000 2.696 14 E HA 0.108 4.458 4.350 0.000 0.000 0.270 14 E C 1.443 178.048 176.600 0.008 0.000 0.958 14 E CA 1.621 58.030 56.400 0.016 0.000 0.964 14 E CB 0.064 29.771 29.700 0.013 0.000 0.948 14 E HN 1.088 nan 8.360 nan 0.000 0.472 15 G N 4.397 113.197 108.800 0.001 0.000 5.064 15 G HA2 -0.328 3.632 3.960 0.000 0.000 0.277 15 G HA3 -0.328 3.632 3.960 0.000 0.000 0.277 15 G C -0.493 174.402 174.900 -0.008 0.000 1.580 15 G CA 0.124 45.221 45.100 -0.006 0.000 1.109 15 G HN 0.681 nan 8.290 nan 0.000 0.695 16 E N 2.554 122.751 120.200 -0.006 0.000 3.072 16 E HA 0.293 4.643 4.350 0.000 0.000 0.241 16 E C 0.929 177.524 176.600 -0.007 0.000 0.962 16 E CA 0.561 56.956 56.400 -0.008 0.000 0.955 16 E CB 0.186 29.888 29.700 0.004 0.000 0.899 16 E HN 0.760 nan 8.360 nan 0.000 0.547 17 S N 3.024 118.711 115.700 -0.022 0.000 2.713 17 S HA 0.234 4.704 4.470 0.000 0.000 0.283 17 S C 0.892 175.468 174.600 -0.039 0.000 1.161 17 S CA -0.874 57.308 58.200 -0.029 0.000 0.999 17 S CB 2.070 65.246 63.200 -0.040 0.000 1.039 17 S HN 0.461 nan 8.310 nan 0.000 0.548 18 K N -0.259 120.111 120.400 -0.051 0.000 2.098 18 K HA 0.267 4.587 4.320 0.000 0.000 0.203 18 K C -0.014 176.492 176.600 -0.158 0.000 1.051 18 K CA 0.760 57.009 56.287 -0.063 0.000 0.957 18 K CB -0.335 32.139 32.500 -0.044 0.000 0.738 18 K HN 0.689 nan 8.250 nan 0.000 0.447 19 L N 1.966 123.069 121.223 -0.199 0.000 2.356 19 L HA 0.332 4.672 4.340 0.000 0.000 0.277 19 L C -0.361 176.382 176.870 -0.212 0.000 0.996 19 L CA -0.699 53.952 54.840 -0.316 0.000 0.822 19 L CB 1.953 43.763 42.059 -0.414 0.000 1.256 19 L HN -0.161 nan 8.230 nan 0.000 0.413 20 K N 4.360 124.639 120.400 -0.202 0.000 2.376 20 K HA 0.606 4.926 4.320 0.000 0.000 0.257 20 K C -1.233 175.297 176.600 -0.117 0.000 0.939 20 K CA -0.579 55.632 56.287 -0.127 0.000 0.809 20 K CB 1.988 34.435 32.500 -0.089 0.000 1.121 20 K HN 0.473 nan 8.250 nan 0.000 0.425 21 I N 3.031 123.547 120.570 -0.090 0.000 2.378 21 I HA 0.265 4.435 4.170 0.000 0.000 0.291 21 I C -0.488 175.605 176.117 -0.040 0.000 0.992 21 I CA -0.493 60.768 61.300 -0.065 0.000 1.154 21 I CB 1.745 39.705 38.000 -0.067 0.000 1.315 21 I HN 0.326 nan 8.210 nan 0.000 0.448 22 D N 7.105 127.491 120.400 -0.022 0.000 2.819 22 D HA 0.383 5.023 4.640 0.000 0.000 0.232 22 D C -2.675 173.625 176.300 0.001 0.000 1.160 22 D CA -1.448 52.545 54.000 -0.012 0.000 0.858 22 D CB 2.519 43.312 40.800 -0.011 0.000 1.610 22 D HN 0.098 nan 8.370 nan 0.000 0.481 23 P HA 0.123 nan 4.420 nan 0.000 0.282 23 P C -0.337 176.970 177.300 0.013 0.000 1.274 23 P CA -0.377 62.727 63.100 0.006 0.000 0.770 23 P CB 0.625 32.325 31.700 0.001 0.000 0.867 24 D N 3.398 123.812 120.400 0.023 0.000 2.346 24 D HA 0.033 4.674 4.640 0.000 0.000 0.260 24 D C -0.236 176.073 176.300 0.015 0.000 1.252 24 D CA 0.227 54.243 54.000 0.026 0.000 0.895 24 D CB 0.418 41.246 40.800 0.046 0.000 1.097 24 D HN 0.246 nan 8.370 nan 0.000 0.489 25 T N 2.209 116.768 114.554 0.008 0.000 3.477 25 T HA 0.298 4.648 4.350 0.000 0.000 0.347 25 T C 0.659 175.358 174.700 -0.003 0.000 1.567 25 T CA -0.680 61.422 62.100 0.002 0.000 1.169 25 T CB 1.064 69.932 68.868 0.000 0.000 1.196 25 T HN 0.282 nan 8.240 nan 0.000 0.768 26 K N 0.966 121.362 120.400 -0.007 0.000 2.763 26 K HA 0.483 4.803 4.320 0.000 0.000 0.207 26 K C 0.388 176.973 176.600 -0.026 0.000 1.532 26 K CA -0.004 56.271 56.287 -0.020 0.000 1.059 26 K CB 0.768 33.251 32.500 -0.029 0.000 1.854 26 K HN 0.489 nan 8.250 nan 0.000 0.497 27 A N 3.369 126.173 122.820 -0.027 0.000 2.356 27 A HA 0.587 4.907 4.320 0.000 0.000 0.310 27 A C -2.660 174.919 177.584 -0.007 0.000 1.075 27 A CA -1.450 50.570 52.037 -0.028 0.000 0.746 27 A CB 0.800 19.765 19.000 -0.058 0.000 1.221 27 A HN -0.071 nan 8.150 nan 0.000 0.443 28 P HA -0.060 nan 4.420 nan 0.000 0.264 28 P C 0.011 177.324 177.300 0.022 0.000 1.173 28 P CA 0.786 63.892 63.100 0.009 0.000 0.761 28 P CB 0.096 31.801 31.700 0.009 0.000 0.794 29 N N 0.269 118.984 118.700 0.025 0.000 2.608 29 N HA -0.067 4.673 4.740 0.000 0.000 0.273 29 N C -1.409 174.132 175.510 0.053 0.000 1.133 29 N CA 1.110 54.181 53.050 0.036 0.000 0.726 29 N CB -1.274 37.239 38.487 0.042 0.000 0.890 29 N HN 0.749 nan 8.380 nan 0.000 0.548 30 A N 0.096 122.947 122.820 0.051 0.000 2.594 30 A HA 0.738 5.058 4.320 0.000 0.000 0.296 30 A C -1.231 176.392 177.584 0.065 0.000 1.056 30 A CA -0.049 52.034 52.037 0.077 0.000 0.693 30 A CB 1.755 20.814 19.000 0.100 0.000 1.278 30 A HN 0.709 nan 8.150 nan 0.000 0.408 31 V N 0.760 120.720 119.914 0.078 0.000 3.130 31 V HA 0.793 4.913 4.120 0.000 0.000 0.310 31 V C -1.307 174.832 176.094 0.075 0.000 1.158 31 V CA -0.478 61.856 62.300 0.057 0.000 1.029 31 V CB 2.329 34.171 31.823 0.031 0.000 1.057 31 V HN 1.127 nan 8.190 nan 0.000 0.436 32 V N 5.557 125.504 119.914 0.056 0.000 2.409 32 V HA 0.543 4.663 4.120 0.000 0.000 0.290 32 V C -0.443 175.676 176.094 0.042 0.000 1.017 32 V CA -0.301 62.037 62.300 0.063 0.000 0.841 32 V CB 1.495 33.354 31.823 0.060 0.000 1.003 32 V HN 0.642 nan 8.190 nan 0.000 0.426 33 I N 3.617 124.228 120.570 0.068 0.000 2.460 33 I HA 0.527 4.697 4.170 0.000 0.000 0.298 33 I C 0.160 176.316 176.117 0.066 0.000 0.989 33 I CA -0.330 60.994 61.300 0.040 0.000 1.173 33 I CB 2.109 40.153 38.000 0.074 0.000 1.338 33 I HN 0.393 nan 8.210 nan 0.000 0.456 34 T N 5.587 120.115 114.554 -0.043 0.000 2.791 34 T HA 0.454 4.804 4.350 0.000 0.000 0.288 34 T C -0.577 174.059 174.700 -0.106 0.000 0.999 34 T CA -0.265 61.817 62.100 -0.030 0.000 0.952 34 T CB 0.242 69.083 68.868 -0.044 0.000 0.938 34 T HN 0.123 nan 8.240 nan 0.000 0.444 35 F N 3.115 122.809 119.950 -0.426 0.000 2.351 35 F HA 0.278 4.805 4.527 0.000 0.000 0.362 35 F C 1.123 176.856 175.800 -0.112 0.000 1.131 35 F CA -1.279 56.531 58.000 -0.316 0.000 1.187 35 F CB 0.248 38.907 39.000 -0.568 0.000 1.434 35 F HN 0.384 nan 8.300 nan 0.000 0.553 36 E N 4.770 125.015 120.200 0.074 0.000 2.415 36 E HA -0.007 4.344 4.350 0.000 0.000 0.263 36 E C 0.189 176.889 176.600 0.167 0.000 0.995 36 E CA 0.081 56.542 56.400 0.101 0.000 0.915 36 E CB 0.420 30.146 29.700 0.043 0.000 0.951 36 E HN 0.351 nan 8.360 nan 0.000 0.449 37 K N 2.278 122.795 120.400 0.195 0.000 4.326 37 K HA -0.167 4.154 4.320 0.000 0.000 0.299 37 K C -0.166 176.597 176.600 0.272 0.000 1.005 37 K CA 0.724 57.140 56.287 0.215 0.000 0.935 37 K CB -1.157 31.455 32.500 0.186 0.000 1.551 37 K HN 0.575 nan 8.250 nan 0.000 0.438 38 E N 0.126 120.521 120.200 0.326 0.000 2.402 38 E HA 0.469 4.819 4.350 0.000 0.000 0.270 38 E C -0.520 176.239 176.600 0.266 0.000 1.131 38 E CA -0.172 56.432 56.400 0.339 0.000 0.884 38 E CB 1.403 31.435 29.700 0.553 0.000 1.564 38 E HN 0.403 nan 8.360 nan 0.000 0.456 39 D N -2.176 118.190 120.400 -0.056 0.000 3.485 39 D HA 0.069 4.709 4.640 0.000 0.000 0.358 39 D C 0.796 176.762 176.300 -0.557 0.000 1.487 39 D CA -0.383 53.476 54.000 -0.236 0.000 0.922 39 D CB -0.335 40.518 40.800 0.090 0.000 1.479 39 D HN 0.453 nan 8.370 nan 0.000 0.567 40 H N -0.290 118.587 119.070 -0.323 0.000 2.387 40 H HA -0.076 4.480 4.556 0.000 0.000 0.299 40 H C 1.285 176.403 175.328 -0.350 0.000 1.099 40 H CA 1.964 57.806 56.048 -0.343 0.000 1.315 40 H CB -0.416 29.308 29.762 -0.062 0.000 1.380 40 H HN 0.434 nan 8.280 nan 0.000 0.513 41 T N 1.407 115.905 114.554 -0.093 0.000 2.680 41 T HA -0.207 4.143 4.350 0.000 0.000 0.268 41 T C 2.198 176.783 174.700 -0.192 0.000 1.033 41 T CA 1.651 63.684 62.100 -0.111 0.000 1.152 41 T CB -0.266 68.568 68.868 -0.058 0.000 0.859 41 T HN 0.242 nan 8.240 nan 0.000 0.452 42 L N -0.559 120.482 121.223 -0.303 0.000 2.349 42 L HA 0.329 4.669 4.340 0.000 0.000 0.200 42 L C 2.689 179.213 176.870 -0.576 0.000 1.064 42 L CA 0.834 55.484 54.840 -0.316 0.000 0.821 42 L CB -0.663 41.300 42.059 -0.160 0.000 1.027 42 L HN 0.334 nan 8.230 nan 0.000 0.476 43 G N 0.101 108.193 108.800 -1.179 0.000 2.587 43 G HA2 -0.415 3.545 3.960 0.000 0.000 0.217 43 G HA3 -0.415 3.545 3.960 0.000 0.000 0.217 43 G C 1.241 175.361 174.900 -1.300 0.000 1.240 43 G CA 1.121 45.225 45.100 -1.660 0.000 0.794 43 G HN 0.434 nan 8.290 nan 0.000 0.580 44 N N 0.153 117.992 118.700 -1.436 0.000 2.133 44 N HA -0.157 4.583 4.740 0.000 0.000 0.193 44 N C 2.044 177.380 175.510 -0.290 0.000 1.012 44 N CA 1.623 54.317 53.050 -0.593 0.000 0.871 44 N CB -0.314 38.051 38.487 -0.204 0.000 1.011 44 N HN 0.305 nan 8.380 nan 0.000 0.435 45 L N -0.126 120.920 121.223 -0.294 0.000 2.068 45 L HA 0.185 4.525 4.340 0.000 0.000 0.204 45 L C 2.040 178.841 176.870 -0.115 0.000 1.076 45 L CA 1.184 55.930 54.840 -0.157 0.000 0.753 45 L CB -0.466 41.514 42.059 -0.133 0.000 0.910 45 L HN 0.219 nan 8.230 nan 0.000 0.439 46 I N -0.620 119.865 120.570 -0.142 0.000 2.142 46 I HA -0.279 3.891 4.170 0.000 0.000 0.240 46 I C 2.739 178.829 176.117 -0.046 0.000 1.078 46 I CA 1.277 62.539 61.300 -0.064 0.000 1.343 46 I CB -0.387 37.590 38.000 -0.038 0.000 1.046 46 I HN 0.284 nan 8.210 nan 0.000 0.405 47 R N 1.002 121.455 120.500 -0.079 0.000 2.119 47 R HA -0.254 4.086 4.340 0.000 0.000 0.246 47 R C 2.228 178.524 176.300 -0.007 0.000 1.146 47 R CA 2.005 58.098 56.100 -0.012 0.000 0.962 47 R CB -0.306 30.044 30.300 0.083 0.000 0.863 47 R HN 0.421 nan 8.270 nan 0.000 0.442 48 A N 0.624 123.433 122.820 -0.018 0.000 2.014 48 A HA -0.101 4.220 4.320 0.000 0.000 0.218 48 A C 1.872 179.455 177.584 -0.002 0.000 1.163 48 A CA 1.040 53.074 52.037 -0.005 0.000 0.652 48 A CB -0.178 18.817 19.000 -0.008 0.000 0.808 48 A HN 0.313 nan 8.150 nan 0.000 0.449 49 E N 0.151 120.348 120.200 -0.004 0.000 2.046 49 E HA -0.094 4.256 4.350 0.000 0.000 0.190 49 E C 1.939 178.552 176.600 0.022 0.000 0.982 49 E CA 0.750 57.156 56.400 0.009 0.000 0.800 49 E CB -0.464 29.243 29.700 0.011 0.000 0.756 49 E HN 0.637 nan 8.360 nan 0.000 0.449 50 L N 0.574 121.812 121.223 0.024 0.000 2.263 50 L HA -0.205 4.136 4.340 0.000 0.000 0.216 50 L C 2.297 179.184 176.870 0.027 0.000 1.111 50 L CA 0.443 55.305 54.840 0.037 0.000 0.773 50 L CB -0.230 41.847 42.059 0.030 0.000 0.906 50 L HN 0.075 nan 8.230 nan 0.000 0.439 51 L N -0.716 120.516 121.223 0.014 0.000 2.313 51 L HA -0.068 4.272 4.340 0.000 0.000 0.214 51 L C 2.048 178.927 176.870 0.014 0.000 1.119 51 L CA 1.204 56.051 54.840 0.011 0.000 0.809 51 L CB -0.420 41.642 42.059 0.006 0.000 0.933 51 L HN 0.319 nan 8.230 nan 0.000 0.449 52 N N -1.051 117.658 118.700 0.015 0.000 2.424 52 N HA -0.073 4.668 4.740 0.000 0.000 0.178 52 N C 0.179 175.694 175.510 0.008 0.000 1.060 52 N CA 0.152 53.209 53.050 0.011 0.000 0.901 52 N CB 0.089 38.582 38.487 0.011 0.000 0.979 52 N HN 0.253 nan 8.380 nan 0.000 0.451 53 D N 1.305 121.714 120.400 0.015 0.000 2.346 53 D HA 0.072 4.712 4.640 0.000 0.000 0.260 53 D C 0.951 177.244 176.300 -0.012 0.000 1.252 53 D CA -0.035 53.967 54.000 0.004 0.000 0.895 53 D CB 0.626 41.449 40.800 0.039 0.000 1.097 53 D HN -0.046 nan 8.370 nan 0.000 0.489 54 R N 2.590 123.067 120.500 -0.038 0.000 2.285 54 R HA -0.025 4.315 4.340 0.000 0.000 0.213 54 R C 1.434 177.698 176.300 -0.060 0.000 1.068 54 R CA 0.751 56.828 56.100 -0.038 0.000 1.004 54 R CB 0.225 30.501 30.300 -0.041 0.000 0.873 54 R HN 0.391 nan 8.270 nan 0.000 0.467 55 K N 0.358 120.681 120.400 -0.129 0.000 2.459 55 K HA 0.054 4.374 4.320 0.000 0.000 0.193 55 K C -0.154 176.438 176.600 -0.014 0.000 1.030 55 K CA 0.370 56.536 56.287 -0.201 0.000 1.026 55 K CB 0.637 32.726 32.500 -0.686 0.000 0.809 55 K HN -0.029 nan 8.250 nan 0.000 0.504 56 V N 2.445 122.390 119.914 0.052 0.000 2.364 56 V HA 0.091 4.211 4.120 0.000 0.000 0.272 56 V C 1.290 177.447 176.094 0.104 0.000 1.036 56 V CA -0.235 62.139 62.300 0.122 0.000 0.880 56 V CB 1.112 33.006 31.823 0.119 0.000 0.991 56 V HN 0.132 nan 8.190 nan 0.000 0.460 57 L N 3.907 125.211 121.223 0.134 0.000 2.056 57 L HA 0.120 4.460 4.340 0.000 0.000 0.207 57 L C 0.592 177.595 176.870 0.222 0.000 1.078 57 L CA 1.778 56.705 54.840 0.145 0.000 0.749 57 L CB -0.105 42.035 42.059 0.136 0.000 0.901 57 L HN 0.591 nan 8.230 nan 0.000 0.433 58 F N -0.234 119.746 119.950 0.051 0.000 2.596 58 F HA 0.683 5.210 4.527 0.000 0.000 0.311 58 F C -1.234 174.601 175.800 0.060 0.000 1.116 58 F CA -0.987 57.042 58.000 0.048 0.000 0.957 58 F CB 1.472 40.495 39.000 0.039 0.000 1.250 58 F HN -0.251 nan 8.300 nan 0.000 0.444 59 A N 4.296 126.653 122.820 -0.772 0.000 2.456 59 A HA 0.922 5.242 4.320 0.000 0.000 0.288 59 A C -1.825 175.408 177.584 -0.585 0.000 1.042 59 A CA 0.060 51.756 52.037 -0.568 0.000 0.738 59 A CB 0.900 19.787 19.000 -0.189 0.000 1.266 59 A HN 1.866 nan 8.150 nan 0.000 0.407 60 A N 1.565 124.105 122.820 -0.466 0.000 2.547 60 A HA 0.820 5.140 4.320 0.000 0.000 0.297 60 A C -1.186 176.394 177.584 -0.007 0.000 1.056 60 A CA -0.464 51.441 52.037 -0.221 0.000 0.688 60 A CB 0.909 19.746 19.000 -0.271 0.000 1.282 60 A HN 2.046 nan 8.150 nan 0.000 0.400 61 Y N 0.303 120.572 120.300 -0.052 0.000 2.524 61 Y HA 0.845 5.395 4.550 0.000 0.000 0.344 61 Y C -0.519 175.391 175.900 0.017 0.000 1.012 61 Y CA -0.962 57.158 58.100 0.034 0.000 1.068 61 Y CB 1.862 40.365 38.460 0.072 0.000 1.249 61 Y HN 0.792 nan 8.280 nan 0.000 0.468 62 K N 1.938 122.320 120.400 -0.030 0.000 2.565 62 K HA 0.551 4.872 4.320 0.000 0.000 0.251 62 K C -1.840 174.783 176.600 0.039 0.000 0.956 62 K CA -1.011 55.177 56.287 -0.165 0.000 0.809 62 K CB 2.072 34.507 32.500 -0.108 0.000 1.267 62 K HN 0.822 nan 8.250 nan 0.000 0.438 63 V N 0.628 120.533 119.914 -0.015 0.000 2.338 63 V HA 0.180 4.300 4.120 0.000 0.000 0.255 63 V C 1.080 177.241 176.094 0.110 0.000 1.082 63 V CA -0.154 62.200 62.300 0.089 0.000 0.951 63 V CB 0.503 32.355 31.823 0.049 0.000 1.102 63 V HN 1.040 nan 8.190 nan 0.000 0.489 64 E N 2.531 122.817 120.200 0.145 0.000 2.038 64 E HA -0.138 4.213 4.350 0.000 0.000 0.195 64 E C 0.468 177.160 176.600 0.153 0.000 1.000 64 E CA 1.814 58.291 56.400 0.128 0.000 0.803 64 E CB 0.105 29.886 29.700 0.136 0.000 0.750 64 E HN 0.943 nan 8.360 nan 0.000 0.448 65 H N -2.106 117.052 119.070 0.146 0.000 2.759 65 H HA 0.163 4.719 4.556 0.000 0.000 0.354 65 H C -2.264 173.131 175.328 0.112 0.000 1.074 65 H CA -2.104 53.993 56.048 0.083 0.000 1.226 65 H CB 2.125 31.952 29.762 0.110 0.000 1.648 65 H HN -0.130 nan 8.280 nan 0.000 0.529 66 P HA 0.039 nan 4.420 nan 0.000 0.249 66 P C 0.838 178.334 177.300 0.326 0.000 1.229 66 P CA 0.428 63.689 63.100 0.268 0.000 0.788 66 P CB 0.015 31.812 31.700 0.162 0.000 1.072 67 F N -0.848 119.122 119.950 0.033 0.000 2.202 67 F HA -0.080 4.447 4.527 0.001 0.000 0.301 67 F C 0.958 176.412 175.800 -0.577 0.000 1.082 67 F CA 0.497 58.178 58.000 -0.531 0.000 1.313 67 F CB -0.105 38.087 39.000 -1.346 0.000 1.024 67 F HN -0.135 nan 8.300 nan 0.000 0.495 68 F N -1.450 118.658 119.950 0.263 0.000 2.480 68 F HA 0.432 4.959 4.527 0.000 0.000 0.329 68 F C 0.977 176.867 175.800 0.151 0.000 1.091 68 F CA -0.904 57.188 58.000 0.154 0.000 0.972 68 F CB 1.305 40.384 39.000 0.133 0.000 1.150 68 F HN -0.258 nan 8.300 nan 0.000 0.467 69 A N 3.457 126.479 122.820 0.337 0.000 1.859 69 A HA -0.172 4.148 4.320 0.000 0.000 0.217 69 A C 1.322 179.074 177.584 0.281 0.000 1.198 69 A CA 1.107 53.294 52.037 0.249 0.000 0.629 69 A CB -0.801 18.314 19.000 0.191 0.000 0.830 69 A HN 0.838 nan 8.150 nan 0.000 0.446 70 R N -1.055 119.600 120.500 0.259 0.000 2.651 70 R HA 0.137 4.477 4.340 0.000 0.000 0.269 70 R C -0.270 176.231 176.300 0.335 0.000 0.979 70 R CA 1.012 57.256 56.100 0.240 0.000 1.096 70 R CB -0.331 30.052 30.300 0.139 0.000 0.927 70 R HN 0.886 nan 8.270 nan 0.000 0.430 71 F N -2.698 117.330 119.950 0.131 0.000 2.703 71 F HA 0.555 5.082 4.527 0.000 0.000 0.308 71 F C -1.764 174.100 175.800 0.107 0.000 1.126 71 F CA -1.403 56.647 58.000 0.083 0.000 0.959 71 F CB 1.793 40.800 39.000 0.012 0.000 1.297 71 F HN 0.404 nan 8.300 nan 0.000 0.441 72 K N 2.807 123.250 120.400 0.072 0.000 2.323 72 K HA 0.615 4.935 4.320 0.000 0.000 0.259 72 K C -1.904 174.727 176.600 0.052 0.000 0.947 72 K CA -1.017 55.258 56.287 -0.020 0.000 0.819 72 K CB 2.292 34.824 32.500 0.054 0.000 1.109 72 K HN 0.694 nan 8.250 nan 0.000 0.429 73 L N 3.367 124.597 121.223 0.013 0.000 2.295 73 L HA 0.413 4.753 4.340 0.000 0.000 0.285 73 L C -0.593 176.341 176.870 0.107 0.000 1.035 73 L CA -0.193 54.707 54.840 0.100 0.000 0.806 73 L CB 1.182 43.316 42.059 0.124 0.000 1.214 73 L HN 0.527 nan 8.230 nan 0.000 0.426 74 R N 5.368 125.919 120.500 0.085 0.000 2.439 74 R HA 0.642 4.982 4.340 0.000 0.000 0.310 74 R C -1.516 174.826 176.300 0.070 0.000 0.955 74 R CA -0.501 55.672 56.100 0.121 0.000 0.853 74 R CB 0.983 31.423 30.300 0.233 0.000 1.171 74 R HN 0.710 nan 8.270 nan 0.000 0.449 75 I N 3.273 123.916 120.570 0.122 0.000 2.465 75 I HA 0.288 4.458 4.170 0.000 0.000 0.291 75 I C -0.742 175.483 176.117 0.179 0.000 1.014 75 I CA -0.625 60.740 61.300 0.107 0.000 1.093 75 I CB 2.277 40.327 38.000 0.083 0.000 1.267 75 I HN 0.564 nan 8.210 nan 0.000 0.431 76 Q N 5.051 124.987 119.800 0.226 0.000 2.331 76 Q HA 0.682 5.022 4.340 0.000 0.000 0.272 76 Q C -1.446 174.668 176.000 0.190 0.000 1.062 76 Q CA -0.538 55.396 55.803 0.218 0.000 0.806 76 Q CB 2.387 31.292 28.738 0.279 0.000 1.312 76 Q HN 0.754 nan 8.270 nan 0.000 0.431 77 T N -0.739 113.914 114.554 0.164 0.000 2.841 77 T HA 0.557 4.907 4.350 0.000 0.000 0.296 77 T C -0.391 174.405 174.700 0.160 0.000 1.166 77 T CA -0.844 61.376 62.100 0.200 0.000 1.007 77 T CB 1.289 70.340 68.868 0.305 0.000 1.253 77 T HN 0.532 nan 8.240 nan 0.000 0.511 78 T N 1.390 116.040 114.554 0.160 0.000 2.907 78 T HA 0.367 4.718 4.350 0.000 0.000 0.298 78 T C -0.063 174.708 174.700 0.118 0.000 1.017 78 T CA -0.800 61.363 62.100 0.105 0.000 1.118 78 T CB 0.069 68.974 68.868 0.063 0.000 0.948 78 T HN 0.674 nan 8.240 nan 0.000 0.531 79 E N 1.169 121.417 120.200 0.079 0.000 2.708 79 E HA 0.303 4.653 4.350 0.000 0.000 0.260 79 E C 1.458 178.109 176.600 0.085 0.000 0.937 79 E CA 1.435 57.877 56.400 0.069 0.000 0.953 79 E CB -0.467 29.260 29.700 0.046 0.000 0.915 79 E HN 0.995 nan 8.360 nan 0.000 0.487 80 G N 2.217 111.068 108.800 0.086 0.000 2.284 80 G HA2 -0.317 3.644 3.960 0.000 0.000 0.216 80 G HA3 -0.317 3.644 3.960 0.000 0.000 0.216 80 G C -0.285 174.704 174.900 0.148 0.000 1.009 80 G CA -0.007 45.150 45.100 0.095 0.000 0.625 80 G HN 0.563 nan 8.290 nan 0.000 0.501 81 Y N 2.547 122.858 120.300 0.019 0.000 2.491 81 Y HA 0.546 5.096 4.550 0.000 0.000 0.334 81 Y C 0.152 176.066 175.900 0.023 0.000 0.969 81 Y CA -0.730 57.382 58.100 0.020 0.000 1.241 81 Y CB 0.849 39.322 38.460 0.023 0.000 1.105 81 Y HN 0.240 nan 8.280 nan 0.000 0.503 82 D N 8.599 128.855 120.400 -0.240 0.000 2.458 82 D HA 0.038 4.678 4.640 0.000 0.000 0.243 82 D C -1.471 174.619 176.300 -0.350 0.000 1.146 82 D CA -1.526 52.341 54.000 -0.220 0.000 0.877 82 D CB 1.363 42.070 40.800 -0.155 0.000 1.176 82 D HN 0.315 nan 8.370 nan 0.000 0.461 83 P HA -0.264 nan 4.420 nan 0.000 0.218 83 P C 0.823 178.046 177.300 -0.128 0.000 1.154 83 P CA 1.634 64.669 63.100 -0.108 0.000 0.872 83 P CB 0.123 31.809 31.700 -0.022 0.000 0.790 84 K N -0.537 119.789 120.400 -0.124 0.000 2.097 84 K HA -0.141 4.179 4.320 0.000 0.000 0.206 84 K C 1.746 178.278 176.600 -0.114 0.000 1.049 84 K CA 1.507 57.739 56.287 -0.092 0.000 0.933 84 K CB -0.563 31.890 32.500 -0.079 0.000 0.717 84 K HN 0.164 nan 8.250 nan 0.000 0.442 85 D N 0.999 121.269 120.400 -0.216 0.000 2.149 85 D HA -0.152 4.489 4.640 0.000 0.000 0.198 85 D C 1.850 178.078 176.300 -0.120 0.000 0.990 85 D CA 1.244 55.118 54.000 -0.210 0.000 0.839 85 D CB -0.247 40.348 40.800 -0.341 0.000 0.948 85 D HN 0.192 nan 8.370 nan 0.000 0.460 86 A N 1.035 123.747 122.820 -0.180 0.000 1.865 86 A HA -0.182 4.139 4.320 0.000 0.000 0.217 86 A C 2.163 179.797 177.584 0.084 0.000 1.191 86 A CA 1.309 53.410 52.037 0.107 0.000 0.623 86 A CB -0.868 18.229 19.000 0.161 0.000 0.826 86 A HN 0.250 nan 8.150 nan 0.000 0.444 87 L N -0.053 121.196 121.223 0.043 0.000 2.012 87 L HA -0.183 4.157 4.340 0.000 0.000 0.210 87 L C 2.243 179.147 176.870 0.057 0.000 1.073 87 L CA 2.359 57.239 54.840 0.067 0.000 0.748 87 L CB -0.641 41.461 42.059 0.071 0.000 0.891 87 L HN 0.362 nan 8.230 nan 0.000 0.431 88 K N -0.416 120.001 120.400 0.029 0.000 2.063 88 K HA -0.190 4.130 4.320 0.000 0.000 0.208 88 K C 1.806 178.433 176.600 0.045 0.000 1.048 88 K CA 2.141 58.444 56.287 0.027 0.000 0.928 88 K CB -0.328 32.175 32.500 0.005 0.000 0.713 88 K HN 0.596 nan 8.250 nan 0.000 0.442 89 N N 0.440 119.180 118.700 0.067 0.000 2.220 89 N HA -0.061 4.679 4.740 0.000 0.000 0.182 89 N C 1.859 177.408 175.510 0.065 0.000 1.023 89 N CA 0.704 53.799 53.050 0.075 0.000 0.856 89 N CB -0.119 38.434 38.487 0.110 0.000 0.997 89 N HN 0.090 nan 8.380 nan 0.000 0.429 90 A N 0.503 123.367 122.820 0.073 0.000 2.024 90 A HA -0.163 4.157 4.320 0.000 0.000 0.220 90 A C 2.294 179.907 177.584 0.048 0.000 1.164 90 A CA 1.006 53.077 52.037 0.058 0.000 0.643 90 A CB -1.073 17.964 19.000 0.062 0.000 0.806 90 A HN 0.477 nan 8.150 nan 0.000 0.451 91 C N -0.716 118.617 119.300 0.055 0.000 2.476 91 C HA -0.050 4.410 4.460 0.000 0.000 0.278 91 C C 2.678 177.691 174.990 0.038 0.000 1.274 91 C CA 1.126 60.175 59.018 0.051 0.000 1.713 91 C CB -1.266 26.510 27.740 0.059 0.000 2.039 91 C HN 0.658 nan 8.230 nan 0.000 0.484 92 N N 0.457 119.178 118.700 0.036 0.000 2.223 92 N HA -0.104 4.636 4.740 0.000 0.000 0.185 92 N C 1.961 177.486 175.510 0.026 0.000 1.016 92 N CA 1.343 54.410 53.050 0.029 0.000 0.863 92 N CB -0.456 38.048 38.487 0.029 0.000 0.983 92 N HN 0.488 nan 8.380 nan 0.000 0.429 93 S N 0.893 116.610 115.700 0.029 0.000 2.343 93 S HA -0.013 4.457 4.470 0.000 0.000 0.219 93 S C 2.084 176.695 174.600 0.018 0.000 1.033 93 S CA 0.630 58.845 58.200 0.024 0.000 1.014 93 S CB -0.284 62.932 63.200 0.027 0.000 0.915 93 S HN 0.214 nan 8.310 nan 0.000 0.435 94 I N 1.787 122.368 120.570 0.017 0.000 2.103 94 I HA -0.320 3.850 4.170 0.000 0.000 0.241 94 I C 2.207 178.329 176.117 0.008 0.000 1.036 94 I CA 2.092 63.398 61.300 0.010 0.000 1.300 94 I CB -0.564 37.441 38.000 0.009 0.000 1.010 94 I HN 0.408 nan 8.210 nan 0.000 0.406 95 I N 0.315 120.892 120.570 0.012 0.000 2.163 95 I HA -0.306 3.864 4.170 0.000 0.000 0.243 95 I C 2.076 178.199 176.117 0.009 0.000 1.085 95 I CA 1.536 62.842 61.300 0.009 0.000 1.347 95 I CB -0.793 37.215 38.000 0.012 0.000 1.044 95 I HN 0.347 nan 8.210 nan 0.000 0.408 96 N N 1.103 119.811 118.700 0.013 0.000 2.443 96 N HA -0.134 4.607 4.740 0.000 0.000 0.184 96 N C 1.704 177.222 175.510 0.014 0.000 1.037 96 N CA 1.082 54.140 53.050 0.014 0.000 0.896 96 N CB -0.008 38.488 38.487 0.016 0.000 0.959 96 N HN 0.501 nan 8.380 nan 0.000 0.442 97 K N 0.664 121.071 120.400 0.012 0.000 2.029 97 K HA 0.143 4.463 4.320 0.000 0.000 0.205 97 K C 2.185 178.791 176.600 0.011 0.000 1.042 97 K CA 0.288 56.583 56.287 0.013 0.000 0.949 97 K CB -0.050 32.456 32.500 0.010 0.000 0.740 97 K HN -0.012 nan 8.250 nan 0.000 0.442 98 L N 0.470 121.696 121.223 0.004 0.000 1.997 98 L HA -0.218 4.122 4.340 0.000 0.000 0.216 98 L C 2.545 179.414 176.870 -0.001 0.000 1.074 98 L CA 1.809 56.646 54.840 -0.005 0.000 0.763 98 L CB -1.230 40.822 42.059 -0.013 0.000 0.890 98 L HN 0.440 nan 8.230 nan 0.000 0.434 99 G N -0.715 108.086 108.800 0.002 0.000 2.469 99 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 99 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 99 G C 1.688 176.598 174.900 0.017 0.000 1.136 99 G CA 1.051 46.155 45.100 0.006 0.000 0.759 99 G HN 0.526 nan 8.290 nan 0.000 0.562 100 A N 0.475 123.308 122.820 0.021 0.000 1.861 100 A HA 0.262 4.582 4.320 0.000 0.000 0.212 100 A C 2.294 179.906 177.584 0.046 0.000 1.199 100 A CA 1.063 53.118 52.037 0.031 0.000 0.613 100 A CB -0.561 18.456 19.000 0.028 0.000 0.846 100 A HN 0.299 nan 8.150 nan 0.000 0.446 101 L N 0.494 121.743 121.223 0.043 0.000 2.030 101 L HA -0.330 4.010 4.340 0.000 0.000 0.222 101 L C 2.348 179.273 176.870 0.091 0.000 1.082 101 L CA 3.154 58.031 54.840 0.062 0.000 0.785 101 L CB -0.932 41.150 42.059 0.038 0.000 0.895 101 L HN 0.626 nan 8.230 nan 0.000 0.439 102 K N -0.430 119.998 120.400 0.046 0.000 2.015 102 K HA -0.246 4.074 4.320 0.000 0.000 0.220 102 K C 1.892 178.566 176.600 0.124 0.000 1.055 102 K CA 3.190 59.503 56.287 0.044 0.000 0.951 102 K CB -0.458 32.038 32.500 -0.007 0.000 0.725 102 K HN 0.599 nan 8.250 nan 0.000 0.449 103 T N -0.508 114.101 114.554 0.091 0.000 2.881 103 T HA -0.064 4.286 4.350 0.000 0.000 0.270 103 T C 1.672 176.440 174.700 0.113 0.000 1.068 103 T CA 1.204 63.363 62.100 0.099 0.000 1.131 103 T CB -0.412 68.494 68.868 0.064 0.000 0.871 103 T HN 0.226 nan 8.240 nan 0.000 0.479 104 N N 0.962 119.730 118.700 0.113 0.000 2.106 104 N HA 0.000 4.740 4.740 0.000 0.000 0.188 104 N C 1.440 177.030 175.510 0.133 0.000 1.029 104 N CA 1.050 54.160 53.050 0.101 0.000 0.848 104 N CB -0.611 37.929 38.487 0.088 0.000 1.007 104 N HN 0.499 nan 8.380 nan 0.000 0.423 105 F N 2.322 122.298 119.950 0.043 0.000 2.095 105 F HA -0.173 4.354 4.527 0.000 0.000 0.298 105 F C 2.222 178.085 175.800 0.105 0.000 1.104 105 F CA 1.527 59.564 58.000 0.062 0.000 1.232 105 F CB -0.022 39.000 39.000 0.037 0.000 0.987 105 F HN 0.063 nan 8.300 nan 0.000 0.475 106 E N -0.449 119.974 120.200 0.371 0.000 2.047 106 E HA -0.195 4.155 4.350 0.000 0.000 0.191 106 E C 2.119 178.816 176.600 0.162 0.000 0.987 106 E CA 1.939 58.537 56.400 0.330 0.000 0.799 106 E CB -0.413 29.448 29.700 0.269 0.000 0.752 106 E HN 0.525 nan 8.360 nan 0.000 0.449 107 T N 0.069 114.677 114.554 0.091 0.000 2.929 107 T HA -0.114 4.236 4.350 0.000 0.000 0.271 107 T C 1.615 176.303 174.700 -0.020 0.000 1.085 107 T CA 0.707 62.828 62.100 0.036 0.000 1.125 107 T CB 0.036 68.921 68.868 0.028 0.000 0.874 107 T HN -0.017 nan 8.240 nan 0.000 0.494 108 E N 0.607 120.769 120.200 -0.064 0.000 2.005 108 E HA -0.066 4.284 4.350 0.000 0.000 0.191 108 E C 1.823 178.327 176.600 -0.160 0.000 0.987 108 E CA 0.807 57.121 56.400 -0.143 0.000 0.814 108 E CB -0.643 28.921 29.700 -0.227 0.000 0.772 108 E HN 0.672 nan 8.360 nan 0.000 0.453 109 W N 2.340 123.389 121.300 -0.417 0.000 2.290 109 W HA -0.255 4.405 4.660 0.000 0.000 0.318 109 W C 1.179 177.631 176.519 -0.111 0.000 1.248 109 W CA 1.545 58.721 57.345 -0.282 0.000 1.263 109 W CB -0.421 28.926 29.460 -0.187 0.000 1.147 109 W HN 0.071 nan 8.180 nan 0.000 0.494 110 N N 1.056 119.694 118.700 -0.104 0.000 2.609 110 N HA -0.093 4.647 4.740 0.000 0.000 0.190 110 N C 1.649 177.036 175.510 -0.205 0.000 1.157 110 N CA 1.073 54.029 53.050 -0.157 0.000 0.918 110 N CB -0.374 38.127 38.487 0.023 0.000 0.978 110 N HN 0.375 nan 8.380 nan 0.000 0.448 111 L N -0.049 121.037 121.223 -0.228 0.000 2.200 111 L HA 0.053 4.393 4.340 0.000 0.000 0.200 111 L C 0.579 177.298 176.870 -0.252 0.000 1.072 111 L CA 0.289 55.014 54.840 -0.191 0.000 0.787 111 L CB -0.272 41.705 42.059 -0.137 0.000 0.957 111 L HN 0.047 nan 8.230 nan 0.000 0.459 112 Q N 1.841 121.437 119.800 -0.340 0.000 2.354 112 Q HA 0.021 4.361 4.340 0.000 0.000 0.310 112 Q C 0.030 175.820 176.000 -0.351 0.000 1.104 112 Q CA 0.584 56.182 55.803 -0.342 0.000 0.968 112 Q CB 0.049 28.537 28.738 -0.417 0.000 1.251 112 Q HN 0.285 nan 8.270 nan 0.000 0.411 113 T N -0.700 113.715 114.554 -0.231 0.000 2.856 113 T HA 0.771 5.121 4.350 0.000 0.000 0.283 113 T C 0.401 175.017 174.700 -0.140 0.000 1.008 113 T CA -0.924 61.067 62.100 -0.181 0.000 0.997 113 T CB 1.579 70.375 68.868 -0.120 0.000 0.992 113 T HN 0.649 nan 8.240 nan 0.000 0.454 114 L N 0.000 121.156 121.223 -0.112 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.804 54.840 -0.059 0.000 0.813 114 L CB 0.000 42.039 42.059 -0.033 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502