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 1vj2_1_B DATA FIRST_RESID 1 DATA SEQUENCE MILKRAYDVT PQKISTDKVR GVRKRVLIGL KDAPNFVMRL FTVEPGGLID DATA SEQUENCE RHSHPWEHEI FVLKGKLTVL KEQGEETVEE GFYIFVEPNE IHGFRNDTDS DATA SEQUENCE EVEFLCLIPK EGGE 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 0.000 176.286 176.300 -0.024 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 2 I N 5.415 125.969 120.570 -0.028 0.000 2.342 2 I HA 0.412 4.583 4.170 0.003 0.000 0.291 2 I C -1.122 174.982 176.117 -0.022 0.000 1.010 2 I CA -0.539 60.746 61.300 -0.026 0.000 1.308 2 I CB 1.181 39.161 38.000 -0.033 0.000 1.400 2 I HN 0.503 nan 8.210 nan 0.000 0.488 3 L N 7.954 129.166 121.223 -0.017 0.000 2.415 3 L HA 0.549 4.891 4.340 0.003 0.000 0.268 3 L C -0.329 176.535 176.870 -0.010 0.000 0.984 3 L CA -0.226 54.606 54.840 -0.013 0.000 0.853 3 L CB 1.075 43.128 42.059 -0.011 0.000 1.215 3 L HN 0.461 nan 8.230 nan 0.000 0.419 4 K N 1.934 122.329 120.400 -0.009 0.000 2.508 4 K HA 0.482 4.804 4.320 0.003 0.000 0.260 4 K C -1.069 175.534 176.600 0.004 0.000 0.949 4 K CA -1.079 55.205 56.287 -0.005 0.000 0.834 4 K CB 3.130 35.622 32.500 -0.014 0.000 1.365 4 K HN 0.435 nan 8.250 nan 0.000 0.437 5 R N 1.237 121.746 120.500 0.014 0.000 2.316 5 R HA 0.151 4.492 4.340 0.003 0.000 0.314 5 R C 0.911 177.236 176.300 0.043 0.000 1.069 5 R CA 0.400 56.522 56.100 0.037 0.000 0.959 5 R CB 0.809 31.139 30.300 0.049 0.000 0.987 5 R HN 0.826 nan 8.270 nan 0.000 0.446 6 A N 4.659 127.513 122.820 0.056 0.000 1.940 6 A HA -0.217 4.104 4.320 0.003 0.000 0.219 6 A C 1.468 179.048 177.584 -0.008 0.000 1.176 6 A CA 1.211 53.262 52.037 0.023 0.000 0.631 6 A CB -0.550 18.477 19.000 0.045 0.000 0.814 6 A HN 0.907 nan 8.150 nan 0.000 0.446 7 Y N 0.545 120.827 120.300 -0.029 0.000 2.497 7 Y HA -0.121 4.432 4.550 0.005 0.000 0.292 7 Y C 1.483 177.365 175.900 -0.030 0.000 1.137 7 Y CA 1.395 59.478 58.100 -0.029 0.000 1.285 7 Y CB 0.049 38.497 38.460 -0.019 0.000 0.991 7 Y HN 0.357 nan 8.280 nan 0.000 0.556 8 D N -1.001 119.425 120.400 0.043 0.000 2.317 8 D HA -0.021 4.620 4.640 0.003 0.000 0.211 8 D C 0.341 176.611 176.300 -0.049 0.000 0.966 8 D CA 0.422 54.426 54.000 0.006 0.000 0.876 8 D CB -0.006 40.802 40.800 0.014 0.000 0.927 8 D HN -0.065 nan 8.370 nan 0.000 0.519 9 V N 1.617 121.477 119.914 -0.090 0.000 2.637 9 V HA 0.027 4.149 4.120 0.003 0.000 0.296 9 V C 0.762 176.772 176.094 -0.140 0.000 1.046 9 V CA -0.141 62.093 62.300 -0.109 0.000 1.066 9 V CB 1.276 33.023 31.823 -0.127 0.000 0.968 9 V HN 0.021 nan 8.190 nan 0.000 0.483 10 T N 8.047 122.534 114.554 -0.110 0.000 2.829 10 T HA 0.150 4.501 4.350 0.003 0.000 0.293 10 T C -2.013 172.604 174.700 -0.139 0.000 0.970 10 T CA -0.234 61.803 62.100 -0.105 0.000 1.168 10 T CB 0.360 69.183 68.868 -0.077 0.000 0.911 10 T HN 0.605 nan 8.240 nan 0.000 0.535 11 P HA 0.230 nan 4.420 nan 0.000 0.286 11 P C -1.010 176.219 177.300 -0.118 0.000 1.261 11 P CA -0.754 62.243 63.100 -0.171 0.000 0.821 11 P CB 0.934 32.523 31.700 -0.185 0.000 1.013 12 Q N 2.290 122.017 119.800 -0.122 0.000 2.400 12 Q HA 0.225 4.566 4.340 0.003 0.000 0.255 12 Q C -0.311 175.656 176.000 -0.055 0.000 1.008 12 Q CA -0.689 55.067 55.803 -0.077 0.000 0.841 12 Q CB 0.782 29.475 28.738 -0.074 0.000 1.220 12 Q HN 0.297 nan 8.270 nan 0.000 0.474 13 K N 4.349 124.729 120.400 -0.032 0.000 2.326 13 K HA 0.252 4.574 4.320 0.003 0.000 0.275 13 K C -0.883 175.725 176.600 0.012 0.000 1.018 13 K CA -0.076 56.207 56.287 -0.006 0.000 0.962 13 K CB 0.550 33.049 32.500 -0.002 0.000 0.953 13 K HN 0.610 nan 8.250 nan 0.000 0.475 14 I N 2.266 122.856 120.570 0.034 0.000 2.436 14 I HA 0.150 4.322 4.170 0.003 0.000 0.289 14 I C -0.664 175.477 176.117 0.040 0.000 1.010 14 I CA -0.492 60.833 61.300 0.042 0.000 1.098 14 I CB 2.211 40.252 38.000 0.067 0.000 1.266 14 I HN 0.438 nan 8.210 nan 0.000 0.434 15 S N 3.725 119.443 115.700 0.030 0.000 2.158 15 S HA 0.414 4.886 4.470 0.003 0.000 0.160 15 S C -0.101 174.512 174.600 0.022 0.000 1.693 15 S CA -0.731 57.485 58.200 0.026 0.000 1.251 15 S CB 0.720 63.933 63.200 0.021 0.000 1.153 15 S HN 0.811 nan 8.310 nan 0.000 0.439 16 T N -2.194 112.374 114.554 0.023 0.000 2.742 16 T HA 0.448 4.800 4.350 0.003 0.000 0.282 16 T C 0.467 175.176 174.700 0.015 0.000 1.025 16 T CA -0.674 61.436 62.100 0.018 0.000 1.020 16 T CB 1.210 70.088 68.868 0.017 0.000 1.317 16 T HN 0.070 nan 8.240 nan 0.000 0.538 17 D N -0.044 120.362 120.400 0.010 0.000 2.097 17 D HA -0.072 4.569 4.640 0.003 0.000 0.195 17 D C 1.682 177.985 176.300 0.006 0.000 0.989 17 D CA 1.155 55.160 54.000 0.007 0.000 0.827 17 D CB 0.212 41.014 40.800 0.004 0.000 0.966 17 D HN 0.441 nan 8.370 nan 0.000 0.456 18 K N -0.013 120.387 120.400 0.001 0.000 2.323 18 K HA 0.090 4.412 4.320 0.003 0.000 0.197 18 K C 0.138 176.738 176.600 -0.001 0.000 1.043 18 K CA 0.213 56.496 56.287 -0.007 0.000 0.997 18 K CB 1.635 34.121 32.500 -0.023 0.000 0.807 18 K HN 0.001 nan 8.250 nan 0.000 0.497 19 V N 3.251 123.172 119.914 0.011 0.000 2.419 19 V HA 0.305 4.427 4.120 0.003 0.000 0.287 19 V C -0.695 175.426 176.094 0.044 0.000 1.017 19 V CA -0.974 61.345 62.300 0.032 0.000 0.844 19 V CB 1.318 33.160 31.823 0.033 0.000 1.011 19 V HN 0.295 nan 8.190 nan 0.000 0.429 20 R N 2.316 122.848 120.500 0.053 0.000 2.707 20 R HA 0.763 5.105 4.340 0.003 0.000 0.272 20 R C 0.471 176.808 176.300 0.061 0.000 1.011 20 R CA -0.373 55.757 56.100 0.050 0.000 0.893 20 R CB 1.750 32.071 30.300 0.036 0.000 1.233 20 R HN 1.057 nan 8.270 nan 0.000 0.464 21 G N 0.361 109.194 108.800 0.055 0.000 2.249 21 G HA2 -0.210 3.752 3.960 0.003 0.000 0.273 21 G HA3 -0.210 3.752 3.960 0.003 0.000 0.273 21 G C -0.447 174.500 174.900 0.079 0.000 1.036 21 G CA 0.410 45.546 45.100 0.060 0.000 0.824 21 G HN 0.428 nan 8.290 nan 0.000 0.504 22 V N -0.478 119.487 119.914 0.085 0.000 2.680 22 V HA 0.754 4.876 4.120 0.003 0.000 0.309 22 V C 0.377 176.515 176.094 0.074 0.000 1.052 22 V CA -0.981 61.388 62.300 0.114 0.000 0.908 22 V CB 2.013 33.938 31.823 0.171 0.000 1.001 22 V HN 0.402 nan 8.190 nan 0.000 0.431 23 R N 2.440 122.967 120.500 0.044 0.000 2.480 23 R HA 0.563 4.905 4.340 0.003 0.000 0.306 23 R C -0.855 175.355 176.300 -0.150 0.000 0.958 23 R CA -0.758 55.315 56.100 -0.045 0.000 0.861 23 R CB 2.404 32.659 30.300 -0.075 0.000 1.171 23 R HN 0.635 nan 8.270 nan 0.000 0.445 24 K N 2.878 123.134 120.400 -0.240 0.000 2.244 24 K HA 0.409 4.731 4.320 0.003 0.000 0.260 24 K C -0.788 175.554 176.600 -0.429 0.000 0.951 24 K CA -0.674 55.278 56.287 -0.558 0.000 0.826 24 K CB 1.205 33.428 32.500 -0.462 0.000 1.108 24 K HN 0.461 nan 8.250 nan 0.000 0.433 25 R N 2.703 122.908 120.500 -0.493 0.000 2.480 25 R HA 0.319 4.661 4.340 0.003 0.000 0.306 25 R C -1.066 175.054 176.300 -0.300 0.000 0.958 25 R CA -0.874 55.024 56.100 -0.336 0.000 0.861 25 R CB 2.088 32.200 30.300 -0.313 0.000 1.171 25 R HN 0.289 nan 8.270 nan 0.000 0.445 26 V N 6.016 125.804 119.914 -0.209 0.000 2.372 26 V HA 0.087 4.209 4.120 0.003 0.000 0.261 26 V C 1.282 177.308 176.094 -0.114 0.000 1.055 26 V CA 0.043 62.254 62.300 -0.148 0.000 0.930 26 V CB 0.705 32.464 31.823 -0.107 0.000 1.031 26 V HN 0.769 nan 8.190 nan 0.000 0.479 27 L N 5.012 126.178 121.223 -0.095 0.000 2.130 27 L HA 0.287 4.628 4.340 0.003 0.000 0.200 27 L C 0.574 177.409 176.870 -0.058 0.000 1.075 27 L CA 1.116 55.913 54.840 -0.072 0.000 0.768 27 L CB 0.081 42.108 42.059 -0.054 0.000 0.933 27 L HN 0.431 nan 8.230 nan 0.000 0.451 28 I N 0.482 121.022 120.570 -0.050 0.000 2.405 28 I HA 0.333 4.505 4.170 0.003 0.000 0.280 28 I C 0.405 176.485 176.117 -0.060 0.000 1.027 28 I CA -0.369 60.894 61.300 -0.061 0.000 1.161 28 I CB 1.232 39.187 38.000 -0.075 0.000 1.300 28 I HN -0.032 nan 8.210 nan 0.000 0.463 29 G N 4.597 113.359 108.800 -0.063 0.000 2.671 29 G HA2 0.503 4.464 3.960 0.003 0.000 0.275 29 G HA3 0.503 4.464 3.960 0.003 0.000 0.275 29 G C 0.676 175.537 174.900 -0.064 0.000 1.368 29 G CA -0.612 44.453 45.100 -0.058 0.000 1.044 29 G HN 0.516 nan 8.290 nan 0.000 0.543 30 L N 0.003 121.191 121.223 -0.058 0.000 2.217 30 L HA 0.004 4.346 4.340 0.003 0.000 0.211 30 L C 2.834 179.670 176.870 -0.057 0.000 1.107 30 L CA 1.239 56.044 54.840 -0.060 0.000 0.783 30 L CB -0.202 41.823 42.059 -0.056 0.000 0.919 30 L HN 0.643 nan 8.230 nan 0.000 0.442 31 K N -0.708 119.661 120.400 -0.052 0.000 2.365 31 K HA -0.088 4.234 4.320 0.003 0.000 0.199 31 K C 0.531 177.098 176.600 -0.054 0.000 1.045 31 K CA 1.166 57.424 56.287 -0.048 0.000 0.962 31 K CB -0.012 32.462 32.500 -0.042 0.000 0.759 31 K HN 0.348 nan 8.250 nan 0.000 0.469 32 D N 0.963 121.325 120.400 -0.065 0.000 2.380 32 D HA 0.089 4.731 4.640 0.003 0.000 0.212 32 D C 0.124 176.366 176.300 -0.096 0.000 1.021 32 D CA 0.226 54.182 54.000 -0.073 0.000 0.884 32 D CB 0.608 41.364 40.800 -0.074 0.000 1.001 32 D HN 0.275 nan 8.370 nan 0.000 0.506 33 A N 2.157 124.910 122.820 -0.110 0.000 2.304 33 A HA 0.471 4.793 4.320 0.003 0.000 0.314 33 A C -1.688 175.817 177.584 -0.132 0.000 1.187 33 A CA -1.144 50.796 52.037 -0.162 0.000 0.810 33 A CB 1.670 20.549 19.000 -0.202 0.000 1.183 33 A HN -0.181 nan 8.150 nan 0.000 0.487 34 P HA -0.052 nan 4.420 nan 0.000 0.221 34 P C 0.346 177.614 177.300 -0.054 0.000 1.150 34 P CA 1.222 64.275 63.100 -0.079 0.000 0.800 34 P CB 0.486 32.147 31.700 -0.065 0.000 0.787 35 N N -1.391 117.259 118.700 -0.083 0.000 2.509 35 N HA 0.135 4.877 4.740 0.003 0.000 0.254 35 N C 0.264 175.865 175.510 0.152 0.000 1.064 35 N CA 0.363 53.446 53.050 0.055 0.000 0.865 35 N CB 0.735 39.334 38.487 0.187 0.000 1.659 35 N HN 0.189 nan 8.380 nan 0.000 0.495 36 F N 0.647 120.599 119.950 0.004 0.000 2.626 36 F HA 0.728 5.257 4.527 0.002 0.000 0.311 36 F C -0.445 175.362 175.800 0.011 0.000 1.088 36 F CA -1.590 56.417 58.000 0.012 0.000 0.949 36 F CB 0.826 39.853 39.000 0.044 0.000 1.322 36 F HN -0.221 nan 8.300 nan 0.000 0.461 37 V N 0.744 120.773 119.914 0.192 0.000 2.769 37 V HA 0.702 4.824 4.120 0.003 0.000 0.312 37 V C -0.804 175.401 176.094 0.186 0.000 1.058 37 V CA -0.960 61.395 62.300 0.092 0.000 0.952 37 V CB 1.869 33.715 31.823 0.038 0.000 1.019 37 V HN 1.137 nan 8.190 nan 0.000 0.445 38 M N 4.041 123.704 119.600 0.106 0.000 2.125 38 M HA 0.676 5.158 4.480 0.003 0.000 0.321 38 M C -0.856 175.472 176.300 0.047 0.000 0.983 38 M CA -0.463 54.909 55.300 0.120 0.000 0.934 38 M CB 1.334 33.990 32.600 0.093 0.000 1.542 38 M HN 0.915 nan 8.290 nan 0.000 0.424 39 R N 3.154 123.691 120.500 0.062 0.000 2.803 39 R HA 0.765 5.107 4.340 0.003 0.000 0.276 39 R C -1.486 174.746 176.300 -0.114 0.000 0.978 39 R CA -0.828 55.224 56.100 -0.080 0.000 0.939 39 R CB 2.150 32.399 30.300 -0.085 0.000 1.179 39 R HN 0.682 nan 8.270 nan 0.000 0.472 40 L N 1.674 122.716 121.223 -0.301 0.000 2.356 40 L HA 0.594 4.936 4.340 0.003 0.000 0.277 40 L C -1.692 174.833 176.870 -0.575 0.000 0.996 40 L CA -0.204 54.460 54.840 -0.293 0.000 0.822 40 L CB 0.962 42.916 42.059 -0.176 0.000 1.256 40 L HN 0.485 nan 8.230 nan 0.000 0.413 41 F N 2.538 122.164 119.950 -0.540 0.000 2.458 41 F HA 0.649 5.177 4.527 0.002 0.000 0.336 41 F C 0.441 175.955 175.800 -0.476 0.000 1.114 41 F CA -0.394 57.238 58.000 -0.614 0.000 0.987 41 F CB 2.361 40.713 39.000 -1.079 0.000 1.130 41 F HN 0.409 nan 8.300 nan 0.000 0.458 42 T N 3.232 117.740 114.554 -0.076 0.000 2.823 42 T HA 0.626 4.978 4.350 0.003 0.000 0.279 42 T C -0.792 173.962 174.700 0.090 0.000 0.998 42 T CA -0.623 61.493 62.100 0.027 0.000 0.994 42 T CB 1.502 70.395 68.868 0.040 0.000 0.960 42 T HN 0.253 nan 8.240 nan 0.000 0.448 43 V N 3.338 123.334 119.914 0.137 0.000 2.444 43 V HA 0.398 4.519 4.120 0.003 0.000 0.294 43 V C 0.104 176.266 176.094 0.113 0.000 1.022 43 V CA -1.106 61.283 62.300 0.148 0.000 0.850 43 V CB 1.633 33.577 31.823 0.202 0.000 0.992 43 V HN 0.738 nan 8.190 nan 0.000 0.426 44 E N 4.456 124.711 120.200 0.091 0.000 2.392 44 E HA 0.268 4.619 4.350 0.003 0.000 0.259 44 E C -2.463 174.177 176.600 0.067 0.000 1.108 44 E CA -2.372 54.071 56.400 0.072 0.000 0.916 44 E CB 0.337 30.073 29.700 0.059 0.000 0.989 44 E HN 0.382 nan 8.360 nan 0.000 0.432 45 P HA -0.051 nan 4.420 nan 0.000 0.260 45 P C 0.643 177.968 177.300 0.042 0.000 1.172 45 P CA 1.491 64.618 63.100 0.045 0.000 0.760 45 P CB 0.195 31.916 31.700 0.035 0.000 0.773 46 G N 2.286 111.110 108.800 0.040 0.000 2.184 46 G HA2 -0.212 3.750 3.960 0.003 0.000 0.264 46 G HA3 -0.212 3.750 3.960 0.003 0.000 0.264 46 G C 0.707 175.634 174.900 0.045 0.000 0.975 46 G CA -0.070 45.051 45.100 0.036 0.000 0.642 46 G HN 0.885 nan 8.290 nan 0.000 0.536 47 G N -0.744 108.092 108.800 0.060 0.000 2.664 47 G HA2 0.570 4.532 3.960 0.003 0.000 0.242 47 G HA3 0.570 4.532 3.960 0.003 0.000 0.242 47 G C -0.483 174.466 174.900 0.081 0.000 1.225 47 G CA 0.585 45.729 45.100 0.073 0.000 0.849 47 G HN 1.342 nan 8.290 nan 0.000 0.581 48 L N 0.233 121.507 121.223 0.086 0.000 2.526 48 L HA 0.626 4.968 4.340 0.003 0.000 0.263 48 L C -1.137 175.790 176.870 0.096 0.000 0.943 48 L CA -0.574 54.316 54.840 0.082 0.000 0.859 48 L CB 2.058 44.145 42.059 0.047 0.000 1.313 48 L HN 0.446 nan 8.230 nan 0.000 0.406 49 I N 4.443 125.090 120.570 0.127 0.000 2.420 49 I HA 0.336 4.507 4.170 0.003 0.000 0.282 49 I C -0.405 175.755 176.117 0.072 0.000 1.019 49 I CA -0.465 60.907 61.300 0.121 0.000 1.130 49 I CB 1.306 39.456 38.000 0.249 0.000 1.262 49 I HN 0.567 nan 8.210 nan 0.000 0.454 50 D N 5.253 125.664 120.400 0.018 0.000 2.360 50 D HA 0.176 4.818 4.640 0.003 0.000 0.242 50 D C 0.408 176.723 176.300 0.026 0.000 1.184 50 D CA -0.159 53.840 54.000 -0.002 0.000 0.930 50 D CB 0.919 41.711 40.800 -0.013 0.000 1.161 50 D HN 0.291 nan 8.370 nan 0.000 0.447 51 R N 1.454 121.931 120.500 -0.038 0.000 2.583 51 R HA 0.101 4.443 4.340 0.003 0.000 0.274 51 R C 0.223 176.515 176.300 -0.013 0.000 0.998 51 R CA 0.612 56.655 56.100 -0.095 0.000 1.081 51 R CB 0.136 30.360 30.300 -0.128 0.000 0.940 51 R HN 0.562 nan 8.270 nan 0.000 0.413 52 H N -1.475 117.383 119.070 -0.352 0.000 2.932 52 H HA 0.419 4.976 4.556 0.003 0.000 0.307 52 H C -1.541 173.504 175.328 -0.472 0.000 1.391 52 H CA -1.024 54.837 56.048 -0.311 0.000 1.130 52 H CB 1.210 30.845 29.762 -0.211 0.000 1.836 52 H HN 0.601 nan 8.280 nan 0.000 0.522 53 S N 0.078 115.514 115.700 -0.441 0.000 2.627 53 S HA 0.769 5.240 4.470 0.003 0.000 0.283 53 S C -1.386 172.899 174.600 -0.526 0.000 1.127 53 S CA -0.581 57.253 58.200 -0.611 0.000 0.863 53 S CB 2.513 65.493 63.200 -0.367 0.000 1.121 53 S HN 1.198 nan 8.310 nan 0.000 0.479 54 H N -1.999 116.820 119.070 -0.418 0.000 3.042 54 H HA 0.563 5.120 4.556 0.003 0.000 0.346 54 H C -3.150 171.708 175.328 -0.784 0.000 1.294 54 H CA -1.758 53.846 56.048 -0.740 0.000 1.141 54 H CB 0.521 29.443 29.762 -1.399 0.000 1.872 54 H HN 0.395 nan 8.280 nan 0.000 0.541 55 P HA 0.105 nan 4.420 nan 0.000 0.243 55 P C -1.272 176.097 177.300 0.116 0.000 1.668 55 P CA 0.241 63.283 63.100 -0.096 0.000 0.898 55 P CB -0.991 30.747 31.700 0.063 0.000 1.637 56 W N -0.031 121.342 121.300 0.121 0.000 3.107 56 W HA 0.502 5.164 4.660 0.002 0.000 0.331 56 W C -0.186 176.317 176.519 -0.028 0.000 1.204 56 W CA -1.240 56.124 57.345 0.031 0.000 1.184 56 W CB 0.459 29.909 29.460 -0.017 0.000 1.421 56 W HN -0.197 nan 8.180 nan 0.000 0.544 57 E N 2.113 122.387 120.200 0.123 0.000 2.408 57 E HA 0.112 4.463 4.350 0.003 0.000 0.259 57 E C -0.860 175.710 176.600 -0.049 0.000 1.110 57 E CA 0.210 56.567 56.400 -0.071 0.000 0.929 57 E CB 0.626 30.342 29.700 0.028 0.000 0.971 57 E HN 0.606 nan 8.360 nan 0.000 0.438 58 H N 0.724 119.789 119.070 -0.008 0.000 2.495 58 H HA 0.351 4.909 4.556 0.003 0.000 0.348 58 H C -0.492 174.917 175.328 0.134 0.000 1.113 58 H CA -0.584 55.537 56.048 0.121 0.000 1.195 58 H CB 1.400 31.232 29.762 0.116 0.000 1.521 58 H HN 0.495 nan 8.280 nan 0.000 0.509 59 E N 3.423 123.857 120.200 0.389 0.000 2.145 59 E HA 0.468 4.819 4.350 0.003 0.000 0.270 59 E C -0.298 176.513 176.600 0.351 0.000 0.906 59 E CA -0.429 56.205 56.400 0.391 0.000 0.761 59 E CB 2.260 32.149 29.700 0.314 0.000 1.116 59 E HN 0.392 nan 8.360 nan 0.000 0.408 60 I N 2.687 123.468 120.570 0.353 0.000 2.689 60 I HA 0.441 4.613 4.170 0.003 0.000 0.299 60 I C -1.230 175.124 176.117 0.395 0.000 1.059 60 I CA -1.012 60.485 61.300 0.328 0.000 1.055 60 I CB 1.762 39.871 38.000 0.182 0.000 1.243 60 I HN 0.462 nan 8.210 nan 0.000 0.425 61 F N 5.840 125.948 119.950 0.263 0.000 2.539 61 F HA 0.546 5.074 4.527 0.002 0.000 0.318 61 F C -0.827 175.125 175.800 0.254 0.000 1.135 61 F CA -0.640 57.513 58.000 0.254 0.000 0.915 61 F CB 1.487 40.609 39.000 0.203 0.000 1.176 61 F HN -0.012 nan 8.300 nan 0.000 0.440 62 V N 7.853 127.712 119.914 -0.091 0.000 2.461 62 V HA 0.146 4.268 4.120 0.003 0.000 0.275 62 V C 0.738 176.957 176.094 0.207 0.000 1.047 62 V CA -0.009 62.352 62.300 0.102 0.000 0.955 62 V CB 1.169 32.995 31.823 0.006 0.000 0.988 62 V HN 0.884 nan 8.190 nan 0.000 0.471 63 L N 3.392 124.798 121.223 0.304 0.000 2.357 63 L HA 0.338 4.680 4.340 0.003 0.000 0.211 63 L C 0.917 177.910 176.870 0.205 0.000 1.075 63 L CA 0.593 55.613 54.840 0.300 0.000 0.830 63 L CB 0.151 42.369 42.059 0.265 0.000 0.996 63 L HN 0.608 nan 8.230 nan 0.000 0.467 64 K N -0.062 120.442 120.400 0.172 0.000 2.550 64 K HA 0.502 4.824 4.320 0.003 0.000 0.252 64 K C -0.462 176.203 176.600 0.109 0.000 0.943 64 K CA 0.115 56.477 56.287 0.126 0.000 0.806 64 K CB 1.765 34.331 32.500 0.109 0.000 1.289 64 K HN 0.066 nan 8.250 nan 0.000 0.435 65 G N 2.692 111.540 108.800 0.079 0.000 2.660 65 G HA2 -0.149 3.813 3.960 0.003 0.000 0.215 65 G HA3 -0.149 3.813 3.960 0.003 0.000 0.215 65 G C -1.497 173.421 174.900 0.030 0.000 1.345 65 G CA -0.759 44.375 45.100 0.057 0.000 0.877 65 G HN 0.499 nan 8.290 nan 0.000 0.549 66 K N -0.075 120.331 120.400 0.010 0.000 2.425 66 K HA 0.535 4.856 4.320 0.003 0.000 0.259 66 K C -0.944 175.641 176.600 -0.025 0.000 0.978 66 K CA -0.760 55.505 56.287 -0.037 0.000 0.883 66 K CB 2.246 34.719 32.500 -0.044 0.000 1.110 66 K HN 0.482 nan 8.250 nan 0.000 0.436 67 L N 2.277 123.467 121.223 -0.056 0.000 2.296 67 L HA 0.317 4.659 4.340 0.003 0.000 0.286 67 L C -0.528 176.310 176.870 -0.053 0.000 1.023 67 L CA 0.116 54.933 54.840 -0.038 0.000 0.812 67 L CB 1.763 43.773 42.059 -0.082 0.000 1.223 67 L HN 0.451 nan 8.230 nan 0.000 0.421 68 T N 4.723 119.268 114.554 -0.016 0.000 2.743 68 T HA 0.429 4.781 4.350 0.003 0.000 0.293 68 T C -0.299 174.384 174.700 -0.028 0.000 0.945 68 T CA -0.280 61.798 62.100 -0.037 0.000 1.030 68 T CB 0.796 69.644 68.868 -0.033 0.000 0.912 68 T HN 0.360 nan 8.240 nan 0.000 0.483 69 V N 6.087 125.951 119.914 -0.084 0.000 2.383 69 V HA 0.336 4.458 4.120 0.003 0.000 0.275 69 V C 0.185 176.149 176.094 -0.216 0.000 1.036 69 V CA -0.805 61.388 62.300 -0.178 0.000 0.889 69 V CB 0.762 32.501 31.823 -0.139 0.000 0.985 69 V HN 0.719 nan 8.190 nan 0.000 0.459 70 L N 5.861 126.902 121.223 -0.302 0.000 2.290 70 L HA 0.539 4.881 4.340 0.003 0.000 0.284 70 L C 0.156 176.883 176.870 -0.240 0.000 1.078 70 L CA -0.278 54.424 54.840 -0.231 0.000 0.815 70 L CB 0.535 42.468 42.059 -0.211 0.000 1.162 70 L HN 0.592 nan 8.230 nan 0.000 0.435 71 K N 1.181 121.479 120.400 -0.170 0.000 2.331 71 K HA 0.278 4.600 4.320 0.003 0.000 0.238 71 K C 0.627 177.151 176.600 -0.126 0.000 1.058 71 K CA -0.897 55.301 56.287 -0.149 0.000 0.871 71 K CB 1.672 34.099 32.500 -0.121 0.000 1.292 71 K HN 0.420 nan 8.250 nan 0.000 0.470 72 E N 0.959 121.091 120.200 -0.113 0.000 2.097 72 E HA -0.231 4.121 4.350 0.003 0.000 0.196 72 E C 0.014 176.564 176.600 -0.082 0.000 1.000 72 E CA 1.666 58.007 56.400 -0.099 0.000 0.804 72 E CB 0.310 29.957 29.700 -0.089 0.000 0.740 72 E HN 0.372 nan 8.360 nan 0.000 0.454 73 Q N -0.864 118.891 119.800 -0.074 0.000 2.215 73 Q HA 0.368 4.710 4.340 0.003 0.000 0.337 73 Q C -0.202 175.762 176.000 -0.060 0.000 0.887 73 Q CA -0.054 55.712 55.803 -0.061 0.000 1.134 73 Q CB 1.943 30.650 28.738 -0.052 0.000 1.303 73 Q HN 0.197 nan 8.270 nan 0.000 0.421 74 G N 0.610 109.369 108.800 -0.069 0.000 2.317 74 G HA2 0.280 4.242 3.960 0.003 0.000 0.293 74 G HA3 0.280 4.242 3.960 0.003 0.000 0.293 74 G C -1.825 173.026 174.900 -0.081 0.000 1.287 74 G CA -0.698 44.361 45.100 -0.067 0.000 0.850 74 G HN 0.069 nan 8.290 nan 0.000 0.515 75 E N -0.608 119.546 120.200 -0.077 0.000 2.366 75 E HA 0.539 4.891 4.350 0.003 0.000 0.278 75 E C -1.413 175.137 176.600 -0.084 0.000 0.923 75 E CA -0.736 55.612 56.400 -0.087 0.000 0.761 75 E CB 3.127 32.781 29.700 -0.077 0.000 1.231 75 E HN 0.540 nan 8.360 nan 0.000 0.443 76 E N 1.388 121.530 120.200 -0.097 0.000 2.291 76 E HA 0.285 4.637 4.350 0.003 0.000 0.276 76 E C -1.568 174.960 176.600 -0.120 0.000 0.896 76 E CA -0.432 55.907 56.400 -0.101 0.000 0.774 76 E CB 1.850 31.492 29.700 -0.096 0.000 1.227 76 E HN 0.306 nan 8.360 nan 0.000 0.413 77 T N 3.416 117.890 114.554 -0.133 0.000 2.749 77 T HA 0.445 4.797 4.350 0.003 0.000 0.287 77 T C -0.255 174.285 174.700 -0.266 0.000 0.970 77 T CA -0.482 61.525 62.100 -0.155 0.000 0.980 77 T CB 0.811 69.608 68.868 -0.119 0.000 0.924 77 T HN 0.385 nan 8.240 nan 0.000 0.456 78 V N 1.340 121.055 119.914 -0.331 0.000 3.113 78 V HA 0.803 4.925 4.120 0.003 0.000 0.316 78 V C -0.457 175.337 176.094 -0.499 0.000 1.125 78 V CA -1.131 60.778 62.300 -0.652 0.000 1.026 78 V CB 2.105 33.529 31.823 -0.665 0.000 1.080 78 V HN 0.838 nan 8.190 nan 0.000 0.444 79 E N 0.404 120.215 120.200 -0.648 0.000 2.281 79 E HA 0.389 4.741 4.350 0.003 0.000 0.262 79 E C -0.420 176.204 176.600 0.040 0.000 0.933 79 E CA -0.760 55.522 56.400 -0.196 0.000 0.809 79 E CB 1.860 31.487 29.700 -0.121 0.000 1.242 79 E HN 0.961 nan 8.360 nan 0.000 0.418 80 E N 0.864 121.111 120.200 0.079 0.000 2.653 80 E HA 0.026 4.377 4.350 0.003 0.000 0.264 80 E C 0.577 177.278 176.600 0.168 0.000 0.949 80 E CA 0.691 57.164 56.400 0.121 0.000 0.953 80 E CB -0.005 29.776 29.700 0.134 0.000 0.925 80 E HN 0.853 nan 8.360 nan 0.000 0.475 81 G N 2.255 111.080 108.800 0.041 0.000 2.175 81 G HA2 -0.277 3.684 3.960 0.003 0.000 0.244 81 G HA3 -0.277 3.684 3.960 0.003 0.000 0.244 81 G C -0.239 174.528 174.900 -0.221 0.000 0.982 81 G CA -0.019 45.075 45.100 -0.010 0.000 0.641 81 G HN 0.448 nan 8.290 nan 0.000 0.527 82 F N 0.735 120.460 119.950 -0.375 0.000 2.397 82 F HA 0.709 5.237 4.527 0.002 0.000 0.331 82 F C 0.625 176.161 175.800 -0.440 0.000 1.090 82 F CA -1.150 56.667 58.000 -0.304 0.000 1.065 82 F CB 0.945 39.819 39.000 -0.210 0.000 1.184 82 F HN 0.285 nan 8.300 nan 0.000 0.499 83 Y N 0.481 120.688 120.300 -0.155 0.000 2.549 83 Y HA 0.883 5.434 4.550 0.002 0.000 0.339 83 Y C -1.362 174.593 175.900 0.092 0.000 1.053 83 Y CA -1.874 56.203 58.100 -0.038 0.000 1.105 83 Y CB 1.164 39.680 38.460 0.092 0.000 1.258 83 Y HN 0.413 nan 8.280 nan 0.000 0.478 84 I N 3.542 124.248 120.570 0.226 0.000 2.569 84 I HA 0.299 4.471 4.170 0.003 0.000 0.290 84 I C -1.698 174.620 176.117 0.336 0.000 1.088 84 I CA -0.646 60.751 61.300 0.161 0.000 1.047 84 I CB 2.180 40.241 38.000 0.101 0.000 1.237 84 I HN 0.648 nan 8.210 nan 0.000 0.421 85 F N 7.511 127.544 119.950 0.138 0.000 2.402 85 F HA 0.654 5.183 4.527 0.002 0.000 0.355 85 F C -0.840 174.994 175.800 0.057 0.000 1.123 85 F CA -0.781 57.298 58.000 0.132 0.000 1.021 85 F CB 1.230 40.314 39.000 0.140 0.000 1.160 85 F HN 0.067 nan 8.300 nan 0.000 0.451 86 V N 6.089 125.669 119.914 -0.555 0.000 2.370 86 V HA 0.260 4.382 4.120 0.003 0.000 0.283 86 V C 0.242 175.766 176.094 -0.949 0.000 1.023 86 V CA -0.916 61.013 62.300 -0.619 0.000 0.857 86 V CB 1.187 32.726 31.823 -0.473 0.000 0.985 86 V HN 0.723 nan 8.190 nan 0.000 0.443 87 E N 5.400 125.148 120.200 -0.752 0.000 2.404 87 E HA 0.181 4.533 4.350 0.003 0.000 0.261 87 E C -2.314 174.078 176.600 -0.348 0.000 1.074 87 E CA -1.648 54.448 56.400 -0.507 0.000 0.917 87 E CB 0.901 30.478 29.700 -0.205 0.000 0.965 87 E HN 0.432 nan 8.360 nan 0.000 0.433 88 P HA -0.059 nan 4.420 nan 0.000 0.264 88 P C -0.758 176.431 177.300 -0.184 0.000 1.183 88 P CA 0.868 63.872 63.100 -0.160 0.000 0.763 88 P CB 0.225 31.902 31.700 -0.039 0.000 0.807 89 N N -1.369 117.182 118.700 -0.250 0.000 2.900 89 N HA -0.247 4.494 4.740 0.003 0.000 0.240 89 N C 0.045 175.424 175.510 -0.218 0.000 0.953 89 N CA 0.696 53.606 53.050 -0.233 0.000 0.950 89 N CB -1.075 37.326 38.487 -0.143 0.000 1.102 89 N HN 0.584 nan 8.380 nan 0.000 0.593 90 E N 1.206 121.266 120.200 -0.233 0.000 2.344 90 E HA 0.226 4.577 4.350 0.003 0.000 0.270 90 E C 0.026 176.546 176.600 -0.134 0.000 1.021 90 E CA -0.328 55.960 56.400 -0.187 0.000 0.887 90 E CB 0.598 30.163 29.700 -0.224 0.000 0.997 90 E HN 0.130 nan 8.360 nan 0.000 0.429 91 I N 5.996 126.482 120.570 -0.141 0.000 2.648 91 I HA 0.032 4.204 4.170 0.003 0.000 0.284 91 I C 0.188 176.222 176.117 -0.138 0.000 1.153 91 I CA 0.460 61.651 61.300 -0.181 0.000 1.426 91 I CB 0.148 38.045 38.000 -0.172 0.000 1.381 91 I HN 0.576 nan 8.210 nan 0.000 0.571 92 H N 3.793 122.605 119.070 -0.429 0.000 3.068 92 H HA 0.718 5.275 4.556 0.003 0.000 0.342 92 H C -1.068 173.959 175.328 -0.502 0.000 1.284 92 H CA -0.933 54.827 56.048 -0.481 0.000 1.181 92 H CB 1.146 30.628 29.762 -0.467 0.000 1.898 92 H HN 0.684 nan 8.280 nan 0.000 0.540 93 G N 0.256 108.668 108.800 -0.647 0.000 2.663 93 G HA2 0.583 4.544 3.960 0.003 0.000 0.299 93 G HA3 0.583 4.544 3.960 0.003 0.000 0.299 93 G C -2.235 172.087 174.900 -0.964 0.000 1.372 93 G CA -0.914 43.852 45.100 -0.556 0.000 0.781 93 G HN 0.365 nan 8.290 nan 0.000 0.491 94 F N -0.904 119.021 119.950 -0.041 0.000 2.641 94 F HA 0.809 5.338 4.527 0.003 0.000 0.308 94 F C 0.047 175.826 175.800 -0.036 0.000 1.105 94 F CA -0.831 57.121 58.000 -0.079 0.000 0.964 94 F CB 2.838 41.752 39.000 -0.144 0.000 1.294 94 F HN 0.557 nan 8.300 nan 0.000 0.442 95 R N 1.347 121.928 120.500 0.136 0.000 2.668 95 R HA 0.441 4.783 4.340 0.003 0.000 0.272 95 R C -1.982 174.364 176.300 0.076 0.000 1.019 95 R CA -0.825 55.327 56.100 0.086 0.000 0.894 95 R CB 1.962 32.281 30.300 0.031 0.000 1.228 95 R HN 0.679 nan 8.270 nan 0.000 0.460 96 N N 1.927 120.672 118.700 0.074 0.000 2.469 96 N HA 0.160 4.902 4.740 0.003 0.000 0.253 96 N C -1.009 174.523 175.510 0.038 0.000 0.970 96 N CA -0.320 52.767 53.050 0.062 0.000 0.940 96 N CB 1.376 39.912 38.487 0.082 0.000 1.128 96 N HN 0.515 nan 8.380 nan 0.000 0.503 97 D N 1.209 121.621 120.400 0.020 0.000 2.342 97 D HA 0.041 4.683 4.640 0.003 0.000 0.221 97 D C 0.433 176.739 176.300 0.009 0.000 1.101 97 D CA 0.287 54.293 54.000 0.010 0.000 0.837 97 D CB 0.411 41.209 40.800 -0.004 0.000 0.938 97 D HN 0.659 nan 8.370 nan 0.000 0.508 98 T N -1.704 112.860 114.554 0.017 0.000 2.922 98 T HA 0.234 4.586 4.350 0.003 0.000 0.281 98 T C 0.700 175.413 174.700 0.022 0.000 1.005 98 T CA -0.713 61.397 62.100 0.016 0.000 0.982 98 T CB 2.109 70.987 68.868 0.016 0.000 1.158 98 T HN -0.141 nan 8.240 nan 0.000 0.566 99 D N -0.402 120.010 120.400 0.020 0.000 2.363 99 D HA 0.126 4.768 4.640 0.003 0.000 0.214 99 D C 0.378 176.693 176.300 0.025 0.000 1.093 99 D CA -0.360 53.652 54.000 0.021 0.000 0.837 99 D CB -0.181 40.628 40.800 0.016 0.000 0.948 99 D HN 0.567 nan 8.370 nan 0.000 0.507 100 S N -1.173 114.545 115.700 0.030 0.000 2.632 100 S HA 0.400 4.872 4.470 0.003 0.000 0.289 100 S C -0.163 174.467 174.600 0.049 0.000 1.115 100 S CA -0.939 57.282 58.200 0.035 0.000 0.889 100 S CB 2.213 65.432 63.200 0.031 0.000 1.116 100 S HN 0.010 nan 8.310 nan 0.000 0.486 101 E N 0.381 120.614 120.200 0.055 0.000 2.442 101 E HA 0.281 4.632 4.350 0.003 0.000 0.262 101 E C -0.819 175.834 176.600 0.089 0.000 1.004 101 E CA 0.086 56.531 56.400 0.075 0.000 0.928 101 E CB 0.714 30.462 29.700 0.080 0.000 0.937 101 E HN 0.411 nan 8.360 nan 0.000 0.446 102 V N 3.240 123.223 119.914 0.116 0.000 2.715 102 V HA 0.297 4.419 4.120 0.003 0.000 0.310 102 V C -0.362 175.844 176.094 0.187 0.000 1.054 102 V CA -0.568 61.820 62.300 0.146 0.000 0.928 102 V CB 1.977 33.892 31.823 0.154 0.000 1.007 102 V HN 0.638 nan 8.190 nan 0.000 0.437 103 E N 3.603 123.929 120.200 0.210 0.000 2.292 103 E HA 0.651 5.003 4.350 0.003 0.000 0.272 103 E C -1.663 175.112 176.600 0.292 0.000 0.881 103 E CA -0.478 56.033 56.400 0.186 0.000 0.754 103 E CB 2.771 32.569 29.700 0.164 0.000 1.201 103 E HN 0.583 nan 8.360 nan 0.000 0.425 104 F N 0.086 120.109 119.950 0.121 0.000 2.631 104 F HA 0.596 5.124 4.527 0.002 0.000 0.308 104 F C -1.768 174.135 175.800 0.172 0.000 1.097 104 F CA -1.419 56.655 58.000 0.123 0.000 0.952 104 F CB 0.747 39.756 39.000 0.016 0.000 1.307 104 F HN 0.262 nan 8.300 nan 0.000 0.450 105 L N 2.912 124.346 121.223 0.352 0.000 2.334 105 L HA 0.663 5.005 4.340 0.003 0.000 0.277 105 L C -0.753 176.342 176.870 0.376 0.000 1.075 105 L CA -0.352 54.646 54.840 0.262 0.000 0.804 105 L CB 1.337 43.557 42.059 0.268 0.000 1.174 105 L HN 1.004 nan 8.230 nan 0.000 0.438 106 C N 5.752 125.252 119.300 0.333 0.000 2.481 106 C HA 0.783 5.245 4.460 0.003 0.000 0.324 106 C C -1.085 174.115 174.990 0.350 0.000 1.170 106 C CA -0.781 58.466 59.018 0.382 0.000 1.361 106 C CB 0.297 28.298 27.740 0.435 0.000 1.977 106 C HN 0.714 nan 8.230 nan 0.000 0.459 107 L N 7.159 128.595 121.223 0.356 0.000 2.381 107 L HA 0.805 5.147 4.340 0.003 0.000 0.268 107 L C -0.111 176.971 176.870 0.354 0.000 0.997 107 L CA -0.371 54.669 54.840 0.334 0.000 0.818 107 L CB 1.734 43.972 42.059 0.299 0.000 1.310 107 L HN 0.759 nan 8.230 nan 0.000 0.416 108 I N -0.817 119.938 120.570 0.308 0.000 2.994 108 I HA 0.734 4.906 4.170 0.003 0.000 0.306 108 I C -2.773 173.447 176.117 0.172 0.000 1.195 108 I CA -2.297 59.147 61.300 0.242 0.000 1.001 108 I CB 2.692 40.810 38.000 0.196 0.000 1.244 108 I HN 0.286 nan 8.210 nan 0.000 0.437 109 P HA 0.118 nan 4.420 nan 0.000 0.272 109 P C 0.039 177.324 177.300 -0.024 0.000 1.230 109 P CA -0.309 62.856 63.100 0.108 0.000 0.788 109 P CB 0.932 32.693 31.700 0.102 0.000 0.949 110 K N 1.515 121.919 120.400 0.006 0.000 2.147 110 K HA -0.202 4.120 4.320 0.003 0.000 0.205 110 K C 1.174 177.685 176.600 -0.149 0.000 1.049 110 K CA 1.645 57.894 56.287 -0.064 0.000 0.936 110 K CB -0.538 31.944 32.500 -0.030 0.000 0.722 110 K HN 0.177 nan 8.250 nan 0.000 0.446 111 E N 1.121 121.240 120.200 -0.134 0.000 2.187 111 E HA -0.166 4.185 4.350 0.003 0.000 0.199 111 E C 2.013 178.337 176.600 -0.460 0.000 1.004 111 E CA 1.626 57.919 56.400 -0.179 0.000 0.813 111 E CB -0.484 29.180 29.700 -0.060 0.000 0.736 111 E HN 0.646 nan 8.360 nan 0.000 0.468 112 G N -0.965 107.372 108.800 -0.773 0.000 2.848 112 G HA2 0.268 4.230 3.960 0.003 0.000 0.208 112 G HA3 0.268 4.230 3.960 0.003 0.000 0.208 112 G C 0.881 175.192 174.900 -0.981 0.000 1.152 112 G CA 0.311 44.368 45.100 -1.738 0.000 0.789 112 G HN 0.539 nan 8.290 nan 0.000 0.531 113 G N -0.434 108.072 108.800 -0.490 0.000 2.520 113 G HA2 -0.174 3.787 3.960 0.003 0.000 0.248 113 G HA3 -0.174 3.787 3.960 0.003 0.000 0.248 113 G C -0.219 174.585 174.900 -0.160 0.000 1.161 113 G CA 0.301 45.246 45.100 -0.258 0.000 0.946 113 G HN 0.756 nan 8.290 nan 0.000 0.565 114 E N 0.000 120.152 120.200 -0.079 0.000 2.725 114 E HA 0.000 4.352 4.350 0.003 0.000 0.291 114 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 114 E CB 0.000 29.678 29.700 -0.036 0.000 0.812 114 E HN 0.000 nan 8.360 nan 0.000 0.440