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 2nnf_1_B DATA FIRST_RESID 1 DATA SEQUENCE SWSEKAFSAS KLDDAIAAKF GSLPIQESTA IQIKAPEIAE NGAFVPVTVA DATA SEQUENCE TSIPGATNIS IFTPANFSPM VASFDVLPRM KPEVSLRMRM AKTENLVVVV DATA SEQUENCE QAGGKLYRAV REVKV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.685 174.600 0.142 0.000 1.055 1 S CA 0.000 58.270 58.200 0.116 0.000 1.107 1 S CB 0.000 63.269 63.200 0.115 0.000 0.593 2 W N 3.616 124.934 121.300 0.031 0.000 2.318 2 W HA -0.178 4.483 4.660 0.000 0.000 0.313 2 W C 2.204 178.749 176.519 0.043 0.000 1.221 2 W CA 2.982 60.345 57.345 0.030 0.000 1.266 2 W CB -0.921 28.552 29.460 0.023 0.000 1.150 2 W HN 0.579 nan 8.180 nan 0.000 0.496 3 S N 0.844 116.631 115.700 0.145 0.000 2.359 3 S HA -0.271 4.199 4.470 0.001 0.000 0.224 3 S C 2.051 176.661 174.600 0.017 0.000 1.035 3 S CA 2.461 60.697 58.200 0.059 0.000 1.018 3 S CB -1.232 62.033 63.200 0.110 0.000 0.876 3 S HN 0.434 nan 8.310 nan 0.000 0.448 4 E N 2.094 122.325 120.200 0.052 0.000 2.058 4 E HA -0.177 4.174 4.350 0.001 0.000 0.194 4 E C 1.943 178.538 176.600 -0.008 0.000 0.997 4 E CA 1.751 58.202 56.400 0.085 0.000 0.801 4 E CB -1.102 28.644 29.700 0.078 0.000 0.746 4 E HN 0.840 nan 8.360 nan 0.000 0.450 5 K N -0.243 120.091 120.400 -0.110 0.000 2.103 5 K HA -0.020 4.300 4.320 0.001 0.000 0.207 5 K C 2.585 179.022 176.600 -0.272 0.000 1.048 5 K CA 1.156 57.318 56.287 -0.208 0.000 0.930 5 K CB -0.243 32.087 32.500 -0.283 0.000 0.716 5 K HN 0.384 nan 8.250 nan 0.000 0.444 6 A N 0.865 123.483 122.820 -0.337 0.000 1.930 6 A HA -0.159 4.161 4.320 0.001 0.000 0.217 6 A C 1.971 179.516 177.584 -0.065 0.000 1.175 6 A CA 1.132 53.008 52.037 -0.268 0.000 0.627 6 A CB -0.560 18.270 19.000 -0.283 0.000 0.815 6 A HN 0.384 nan 8.150 nan 0.000 0.443 7 F N 1.991 121.858 119.950 -0.139 0.000 2.163 7 F HA -0.106 4.421 4.527 0.000 0.000 0.297 7 F C 2.625 178.378 175.800 -0.078 0.000 1.094 7 F CA 1.739 59.688 58.000 -0.086 0.000 1.290 7 F CB -0.715 38.251 39.000 -0.056 0.000 1.017 7 F HN 0.288 nan 8.300 nan 0.000 0.483 8 S N 0.761 116.211 115.700 -0.416 0.000 2.402 8 S HA -0.065 4.405 4.470 0.001 0.000 0.229 8 S C 2.266 176.687 174.600 -0.297 0.000 1.021 8 S CA 0.774 58.694 58.200 -0.466 0.000 0.974 8 S CB -1.170 61.862 63.200 -0.280 0.000 0.800 8 S HN 0.455 nan 8.310 nan 0.000 0.484 9 A N 1.434 124.124 122.820 -0.217 0.000 1.902 9 A HA 0.002 4.323 4.320 0.001 0.000 0.217 9 A C 2.461 179.954 177.584 -0.151 0.000 1.181 9 A CA 1.792 53.727 52.037 -0.170 0.000 0.623 9 A CB -1.398 17.505 19.000 -0.162 0.000 0.818 9 A HN 0.577 nan 8.150 nan 0.000 0.443 10 S N -0.579 115.042 115.700 -0.131 0.000 2.348 10 S HA -0.185 4.286 4.470 0.001 0.000 0.221 10 S C 2.092 176.624 174.600 -0.112 0.000 1.033 10 S CA 1.737 59.893 58.200 -0.074 0.000 1.010 10 S CB -0.315 62.906 63.200 0.035 0.000 0.891 10 S HN 0.578 nan 8.310 nan 0.000 0.442 11 K N 0.351 120.621 120.400 -0.217 0.000 2.034 11 K HA -0.182 4.138 4.320 0.001 0.000 0.214 11 K C 2.116 178.617 176.600 -0.165 0.000 1.051 11 K CA 1.704 57.858 56.287 -0.222 0.000 0.931 11 K CB -0.592 31.677 32.500 -0.384 0.000 0.715 11 K HN 0.342 nan 8.250 nan 0.000 0.446 12 L N 1.978 123.091 121.223 -0.184 0.000 2.012 12 L HA -0.225 4.115 4.340 0.001 0.000 0.210 12 L C 1.546 178.281 176.870 -0.225 0.000 1.073 12 L CA 2.019 56.739 54.840 -0.199 0.000 0.748 12 L CB -0.529 41.415 42.059 -0.192 0.000 0.891 12 L HN 0.121 nan 8.230 nan 0.000 0.431 13 D N -0.194 120.106 120.400 -0.167 0.000 2.123 13 D HA -0.184 4.456 4.640 0.001 0.000 0.196 13 D C 1.852 178.089 176.300 -0.106 0.000 0.992 13 D CA 1.486 55.405 54.000 -0.135 0.000 0.833 13 D CB -0.289 40.454 40.800 -0.095 0.000 0.954 13 D HN 0.473 nan 8.370 nan 0.000 0.455 14 D N 0.295 120.643 120.400 -0.086 0.000 2.117 14 D HA -0.078 4.562 4.640 0.001 0.000 0.198 14 D C 2.014 178.283 176.300 -0.051 0.000 0.982 14 D CA 1.164 55.130 54.000 -0.055 0.000 0.828 14 D CB -0.178 40.596 40.800 -0.042 0.000 0.967 14 D HN 0.144 nan 8.370 nan 0.000 0.464 15 A N 0.772 123.553 122.820 -0.066 0.000 1.933 15 A HA -0.115 4.205 4.320 0.001 0.000 0.218 15 A C 2.355 179.942 177.584 0.005 0.000 1.175 15 A CA 0.777 52.815 52.037 0.001 0.000 0.628 15 A CB -0.608 18.437 19.000 0.074 0.000 0.814 15 A HN 0.167 nan 8.150 nan 0.000 0.444 16 I N -0.338 120.133 120.570 -0.166 0.000 2.202 16 I HA -0.238 3.933 4.170 0.001 0.000 0.242 16 I C 2.978 179.131 176.117 0.059 0.000 1.091 16 I CA 0.964 62.208 61.300 -0.095 0.000 1.368 16 I CB -0.352 37.526 38.000 -0.204 0.000 1.058 16 I HN 0.335 nan 8.210 nan 0.000 0.410 17 A N 0.868 123.691 122.820 0.005 0.000 1.908 17 A HA -0.233 4.087 4.320 0.001 0.000 0.218 17 A C 2.521 180.115 177.584 0.017 0.000 1.181 17 A CA 2.049 54.099 52.037 0.022 0.000 0.627 17 A CB -0.928 18.070 19.000 -0.004 0.000 0.818 17 A HN 0.446 nan 8.150 nan 0.000 0.445 18 A N -0.676 122.142 122.820 -0.003 0.000 2.019 18 A HA -0.121 4.200 4.320 0.001 0.000 0.219 18 A C 2.044 179.598 177.584 -0.050 0.000 1.164 18 A CA 2.367 54.394 52.037 -0.017 0.000 0.644 18 A CB -0.279 18.712 19.000 -0.015 0.000 0.805 18 A HN 0.517 nan 8.150 nan 0.000 0.449 19 K N -1.771 118.574 120.400 -0.091 0.000 2.190 19 K HA 0.221 4.541 4.320 0.001 0.000 0.202 19 K C 1.016 177.407 176.600 -0.348 0.000 1.045 19 K CA 1.180 57.294 56.287 -0.289 0.000 0.976 19 K CB -0.313 31.908 32.500 -0.464 0.000 0.849 19 K HN 0.293 nan 8.250 nan 0.000 0.468 20 F N -0.303 119.677 119.950 0.050 0.000 2.653 20 F HA 0.438 4.965 4.527 0.000 0.000 0.288 20 F C 1.223 177.027 175.800 0.007 0.000 1.121 20 F CA 0.490 58.508 58.000 0.030 0.000 1.384 20 F CB 0.689 39.706 39.000 0.029 0.000 1.115 20 F HN 0.288 nan 8.300 nan 0.000 0.599 21 G N -0.108 108.789 108.800 0.161 0.000 2.447 21 G HA2 -0.155 3.805 3.960 0.001 0.000 0.220 21 G HA3 -0.155 3.805 3.960 0.001 0.000 0.220 21 G C -0.396 174.547 174.900 0.072 0.000 1.261 21 G CA -0.519 44.632 45.100 0.086 0.000 1.000 21 G HN -0.062 nan 8.290 nan 0.000 0.515 22 S N 0.816 116.537 115.700 0.036 0.000 3.940 22 S HA 0.534 5.004 4.470 0.001 0.000 0.210 22 S C 0.433 175.032 174.600 -0.001 0.000 1.419 22 S CA -0.195 58.012 58.200 0.012 0.000 0.912 22 S CB -0.618 62.583 63.200 0.001 0.000 1.489 22 S HN 0.509 nan 8.310 nan 0.000 0.469 23 L N 3.440 124.660 121.223 -0.005 0.000 2.322 23 L HA 0.499 4.840 4.340 0.001 0.000 0.279 23 L C -2.027 174.794 176.870 -0.083 0.000 1.036 23 L CA -2.460 52.353 54.840 -0.045 0.000 0.807 23 L CB 1.166 43.190 42.059 -0.058 0.000 1.226 23 L HN 0.214 nan 8.230 nan 0.000 0.433 24 P HA 0.190 nan 4.420 nan 0.000 0.268 24 P C -0.881 176.312 177.300 -0.178 0.000 1.204 24 P CA 0.092 63.123 63.100 -0.116 0.000 0.768 24 P CB 0.955 32.592 31.700 -0.105 0.000 0.842 25 I N 2.134 122.606 120.570 -0.163 0.000 2.509 25 I HA 0.339 4.510 4.170 0.001 0.000 0.293 25 I C -0.497 175.520 176.117 -0.166 0.000 1.020 25 I CA -0.700 60.482 61.300 -0.197 0.000 1.088 25 I CB 1.686 39.597 38.000 -0.149 0.000 1.267 25 I HN 0.428 nan 8.210 nan 0.000 0.430 26 Q N 5.502 125.185 119.800 -0.195 0.000 2.484 26 Q HA 0.545 4.885 4.340 0.001 0.000 0.285 26 Q C -1.565 174.422 176.000 -0.021 0.000 1.097 26 Q CA -1.094 54.652 55.803 -0.095 0.000 0.802 26 Q CB 1.936 30.627 28.738 -0.079 0.000 1.444 26 Q HN 0.376 nan 8.270 nan 0.000 0.429 27 E N 1.045 121.256 120.200 0.018 0.000 2.301 27 E HA 0.396 4.746 4.350 0.001 0.000 0.275 27 E C -0.996 175.658 176.600 0.090 0.000 1.030 27 E CA -0.299 56.128 56.400 0.045 0.000 0.852 27 E CB 1.803 31.518 29.700 0.025 0.000 1.060 27 E HN 0.574 nan 8.360 nan 0.000 0.401 28 S N 0.338 116.097 115.700 0.098 0.000 2.547 28 S HA 0.292 4.762 4.470 0.001 0.000 0.281 28 S C 0.471 175.095 174.600 0.041 0.000 1.118 28 S CA -0.445 57.809 58.200 0.089 0.000 0.947 28 S CB 1.037 64.310 63.200 0.122 0.000 1.053 28 S HN 0.465 nan 8.310 nan 0.000 0.482 29 T N 1.121 115.687 114.554 0.019 0.000 3.129 29 T HA 0.275 4.625 4.350 0.001 0.000 0.251 29 T C 1.104 175.799 174.700 -0.009 0.000 1.117 29 T CA 0.427 62.531 62.100 0.007 0.000 1.034 29 T CB -0.026 68.844 68.868 0.005 0.000 0.968 29 T HN 0.725 nan 8.240 nan 0.000 0.526 30 A N 1.156 123.960 122.820 -0.028 0.000 2.476 30 A HA 0.602 4.922 4.320 0.001 0.000 0.263 30 A C 0.373 177.931 177.584 -0.042 0.000 1.342 30 A CA -0.426 51.579 52.037 -0.052 0.000 0.926 30 A CB -0.591 18.345 19.000 -0.106 0.000 1.019 30 A HN 0.644 nan 8.150 nan 0.000 0.515 31 I N 0.105 120.668 120.570 -0.013 0.000 2.447 31 I HA 0.267 4.437 4.170 0.001 0.000 0.287 31 I C -1.086 175.036 176.117 0.007 0.000 1.023 31 I CA -0.598 60.705 61.300 0.004 0.000 1.083 31 I CB 2.163 40.180 38.000 0.029 0.000 1.245 31 I HN 0.114 nan 8.210 nan 0.000 0.434 32 Q N 6.477 126.279 119.800 0.004 0.000 2.325 32 Q HA 0.649 4.989 4.340 0.001 0.000 0.262 32 Q C -1.043 174.959 176.000 0.005 0.000 0.968 32 Q CA -0.086 55.718 55.803 0.002 0.000 0.877 32 Q CB 2.485 31.221 28.738 -0.004 0.000 1.253 32 Q HN 0.507 nan 8.270 nan 0.000 0.448 33 I N 2.712 123.287 120.570 0.008 0.000 2.418 33 I HA 0.356 4.526 4.170 0.001 0.000 0.287 33 I C -0.659 175.461 176.117 0.006 0.000 1.008 33 I CA -0.755 60.551 61.300 0.009 0.000 1.104 33 I CB 1.391 39.402 38.000 0.019 0.000 1.264 33 I HN 0.342 nan 8.210 nan 0.000 0.438 34 K N 6.383 126.784 120.400 0.001 0.000 2.339 34 K HA 0.889 5.209 4.320 0.001 0.000 0.264 34 K C -0.935 175.668 176.600 0.004 0.000 0.986 34 K CA -0.616 55.672 56.287 0.001 0.000 0.866 34 K CB 2.409 34.907 32.500 -0.003 0.000 1.103 34 K HN 0.615 nan 8.250 nan 0.000 0.441 35 A N 3.492 126.317 122.820 0.008 0.000 2.587 35 A HA 0.625 4.945 4.320 0.001 0.000 0.293 35 A C -2.826 174.765 177.584 0.012 0.000 1.087 35 A CA -1.627 50.417 52.037 0.012 0.000 0.692 35 A CB 0.836 19.845 19.000 0.016 0.000 1.291 35 A HN 0.449 nan 8.150 nan 0.000 0.407 36 P HA 0.327 nan 4.420 nan 0.000 0.263 36 P C 1.110 178.418 177.300 0.013 0.000 1.175 36 P CA 1.090 64.198 63.100 0.013 0.000 0.761 36 P CB 0.568 32.278 31.700 0.016 0.000 0.794 37 E N 2.144 122.351 120.200 0.011 0.000 2.047 37 E HA 0.080 4.430 4.350 0.001 0.000 0.191 37 E C 1.151 177.757 176.600 0.011 0.000 0.987 37 E CA 1.810 58.216 56.400 0.011 0.000 0.799 37 E CB -0.762 28.944 29.700 0.010 0.000 0.752 37 E HN 0.617 nan 8.360 nan 0.000 0.449 38 I N -1.107 119.469 120.570 0.010 0.000 2.646 38 I HA 0.909 5.080 4.170 0.001 0.000 0.299 38 I C 0.129 176.252 176.117 0.010 0.000 1.036 38 I CA -0.895 60.410 61.300 0.009 0.000 1.074 38 I CB 1.370 39.375 38.000 0.008 0.000 1.258 38 I HN 0.900 nan 8.210 nan 0.000 0.430 39 A N 2.711 125.536 122.820 0.008 0.000 2.566 39 A HA 0.981 5.302 4.320 0.001 0.000 0.292 39 A C -0.034 177.550 177.584 0.001 0.000 1.112 39 A CA 0.128 52.170 52.037 0.007 0.000 0.707 39 A CB 0.585 19.591 19.000 0.011 0.000 1.302 39 A HN 2.360 nan 8.150 nan 0.000 0.409 40 E N -0.461 119.738 120.200 -0.001 0.000 2.373 40 E HA 0.485 4.835 4.350 0.001 0.000 0.263 40 E C 0.351 176.939 176.600 -0.021 0.000 1.073 40 E CA -0.069 56.326 56.400 -0.008 0.000 0.894 40 E CB -0.213 29.484 29.700 -0.005 0.000 1.008 40 E HN 1.982 nan 8.360 nan 0.000 0.420 41 N N 0.133 118.820 118.700 -0.022 0.000 2.434 41 N HA 0.441 5.181 4.740 0.001 0.000 0.268 41 N C 1.413 176.890 175.510 -0.054 0.000 1.256 41 N CA 0.672 53.703 53.050 -0.032 0.000 0.914 41 N CB -0.013 38.460 38.487 -0.024 0.000 1.088 41 N HN 2.035 nan 8.380 nan 0.000 0.478 42 G N -0.990 107.765 108.800 -0.074 0.000 2.143 42 G HA2 0.194 4.155 3.960 0.001 0.000 0.248 42 G HA3 0.194 4.155 3.960 0.001 0.000 0.248 42 G C 0.453 175.235 174.900 -0.196 0.000 0.991 42 G CA 0.838 45.864 45.100 -0.123 0.000 0.689 42 G HN 1.952 nan 8.290 nan 0.000 0.522 43 A N -0.708 122.021 122.820 -0.151 0.000 2.252 43 A HA 0.816 5.137 4.320 0.001 0.000 0.305 43 A C -0.081 177.393 177.584 -0.185 0.000 1.097 43 A CA -0.644 51.303 52.037 -0.150 0.000 0.849 43 A CB 0.664 19.642 19.000 -0.038 0.000 1.142 43 A HN 0.591 nan 8.150 nan 0.000 0.499 44 F N 0.902 120.851 119.950 -0.001 0.000 2.438 44 F HA 0.344 4.872 4.527 0.001 0.000 0.360 44 F C 0.181 175.980 175.800 -0.003 0.000 1.118 44 F CA 0.025 58.024 58.000 -0.002 0.000 1.164 44 F CB 1.132 40.129 39.000 -0.004 0.000 1.131 44 F HN 0.153 nan 8.300 nan 0.000 0.527 45 V N 6.883 126.906 119.914 0.182 0.000 2.364 45 V HA 0.232 4.352 4.120 0.001 0.000 0.272 45 V C -1.909 174.238 176.094 0.088 0.000 1.036 45 V CA -1.939 60.422 62.300 0.101 0.000 0.880 45 V CB 0.975 32.833 31.823 0.058 0.000 0.991 45 V HN 0.464 nan 8.190 nan 0.000 0.460 46 P HA 0.212 nan 4.420 nan 0.000 0.271 46 P C -0.835 176.476 177.300 0.019 0.000 1.226 46 P CA 0.092 63.210 63.100 0.029 0.000 0.765 46 P CB 1.320 33.029 31.700 0.015 0.000 0.835 47 V N 4.159 124.078 119.914 0.008 0.000 2.588 47 V HA 0.441 4.561 4.120 0.001 0.000 0.304 47 V C 0.153 176.237 176.094 -0.016 0.000 1.042 47 V CA -0.259 62.042 62.300 0.002 0.000 0.877 47 V CB 2.293 34.121 31.823 0.008 0.000 0.996 47 V HN 0.510 nan 8.190 nan 0.000 0.425 48 T N 3.780 118.323 114.554 -0.018 0.000 2.848 48 T HA 0.668 5.018 4.350 0.001 0.000 0.285 48 T C -0.690 173.992 174.700 -0.029 0.000 0.995 48 T CA -0.461 61.618 62.100 -0.034 0.000 0.970 48 T CB 1.791 70.639 68.868 -0.033 0.000 0.976 48 T HN 0.351 nan 8.240 nan 0.000 0.441 49 V N 2.272 122.159 119.914 -0.044 0.000 2.540 49 V HA 0.905 5.025 4.120 0.001 0.000 0.302 49 V C -0.113 175.956 176.094 -0.042 0.000 1.035 49 V CA -0.671 61.611 62.300 -0.030 0.000 0.873 49 V CB 1.472 33.283 31.823 -0.021 0.000 0.992 49 V HN 1.132 nan 8.190 nan 0.000 0.428 50 A N 3.101 125.909 122.820 -0.020 0.000 2.532 50 A HA 0.979 5.299 4.320 0.001 0.000 0.290 50 A C -0.542 177.042 177.584 0.001 0.000 1.143 50 A CA -0.676 51.351 52.037 -0.016 0.000 0.728 50 A CB 2.439 21.427 19.000 -0.019 0.000 1.317 50 A HN 0.740 nan 8.150 nan 0.000 0.414 51 T N -0.878 113.679 114.554 0.005 0.000 2.923 51 T HA 0.500 4.850 4.350 0.001 0.000 0.311 51 T C 0.379 175.070 174.700 -0.015 0.000 1.183 51 T CA 0.342 62.438 62.100 -0.006 0.000 1.020 51 T CB 1.295 70.163 68.868 0.001 0.000 1.165 51 T HN 1.545 nan 8.240 nan 0.000 0.482 52 S N 3.035 118.713 115.700 -0.037 0.000 2.539 52 S HA 0.360 4.830 4.470 0.001 0.000 0.221 52 S C 0.621 175.182 174.600 -0.066 0.000 0.987 52 S CA -0.385 57.791 58.200 -0.040 0.000 0.929 52 S CB -0.544 62.633 63.200 -0.038 0.000 0.832 52 S HN 0.696 nan 8.310 nan 0.000 0.492 53 I N 3.595 124.104 120.570 -0.101 0.000 2.662 53 I HA 0.109 4.279 4.170 0.001 0.000 0.285 53 I C -1.096 174.967 176.117 -0.091 0.000 1.161 53 I CA -1.656 59.548 61.300 -0.160 0.000 1.415 53 I CB 0.735 38.566 38.000 -0.282 0.000 1.385 53 I HN 0.112 nan 8.210 nan 0.000 0.552 54 P HA -0.143 nan 4.420 nan 0.000 0.212 54 P C 1.212 178.499 177.300 -0.020 0.000 1.178 54 P CA 1.167 64.244 63.100 -0.039 0.000 0.915 54 P CB 0.040 31.720 31.700 -0.035 0.000 0.788 55 G N -0.804 107.986 108.800 -0.017 0.000 3.332 55 G HA2 0.288 4.248 3.960 0.001 0.000 0.242 55 G HA3 0.288 4.248 3.960 0.001 0.000 0.242 55 G C 0.349 175.259 174.900 0.016 0.000 1.276 55 G CA 0.103 45.206 45.100 0.005 0.000 0.988 55 G HN 0.472 nan 8.290 nan 0.000 0.517 56 A N 0.685 123.512 122.820 0.011 0.000 2.484 56 A HA 0.473 4.794 4.320 0.001 0.000 0.268 56 A C 1.473 179.081 177.584 0.040 0.000 1.114 56 A CA 0.667 52.724 52.037 0.035 0.000 0.780 56 A CB 0.198 19.221 19.000 0.037 0.000 1.061 56 A HN 0.445 nan 8.150 nan 0.000 0.505 57 T N -0.615 113.964 114.554 0.042 0.000 3.003 57 T HA 0.217 4.567 4.350 0.001 0.000 0.261 57 T C 0.321 175.030 174.700 0.015 0.000 1.003 57 T CA 0.008 62.116 62.100 0.013 0.000 0.917 57 T CB -0.071 68.805 68.868 0.014 0.000 1.084 57 T HN 0.627 nan 8.240 nan 0.000 0.522 58 N N 0.652 119.406 118.700 0.090 0.000 2.406 58 N HA 0.383 5.123 4.740 0.001 0.000 0.283 58 N C -1.958 173.689 175.510 0.227 0.000 1.074 58 N CA -0.476 52.666 53.050 0.155 0.000 0.916 58 N CB 2.134 40.778 38.487 0.262 0.000 1.639 58 N HN 0.212 nan 8.380 nan 0.000 0.485 59 I N 1.835 122.572 120.570 0.279 0.000 2.418 59 I HA 0.285 4.455 4.170 0.001 0.000 0.287 59 I C -0.172 176.096 176.117 0.252 0.000 1.008 59 I CA -0.488 60.976 61.300 0.274 0.000 1.104 59 I CB 1.836 39.998 38.000 0.270 0.000 1.264 59 I HN 0.276 nan 8.210 nan 0.000 0.438 60 S N 6.611 122.470 115.700 0.264 0.000 2.513 60 S HA 0.679 5.149 4.470 0.001 0.000 0.299 60 S C -0.449 174.153 174.600 0.002 0.000 1.087 60 S CA -0.535 57.719 58.200 0.089 0.000 1.012 60 S CB 1.929 65.212 63.200 0.138 0.000 1.044 60 S HN 0.359 nan 8.310 nan 0.000 0.485 61 I N 3.115 123.539 120.570 -0.243 0.000 2.389 61 I HA 0.458 4.629 4.170 0.001 0.000 0.288 61 I C -1.420 174.509 176.117 -0.313 0.000 0.999 61 I CA -0.443 60.783 61.300 -0.124 0.000 1.129 61 I CB 1.158 39.127 38.000 -0.052 0.000 1.288 61 I HN 0.462 nan 8.210 nan 0.000 0.444 62 F N 2.927 122.897 119.950 0.033 0.000 2.495 62 F HA 0.496 5.023 4.527 0.000 0.000 0.327 62 F C 0.422 176.222 175.800 -0.000 0.000 1.103 62 F CA -0.800 57.206 58.000 0.011 0.000 0.949 62 F CB 2.286 41.292 39.000 0.009 0.000 1.142 62 F HN 0.301 nan 8.300 nan 0.000 0.457 63 T N 0.317 114.961 114.554 0.150 0.000 2.912 63 T HA 0.322 4.672 4.350 0.001 0.000 0.326 63 T C -2.229 172.503 174.700 0.054 0.000 1.080 63 T CA -2.074 60.075 62.100 0.081 0.000 1.000 63 T CB 1.647 70.543 68.868 0.047 0.000 1.008 63 T HN 0.329 nan 8.240 nan 0.000 0.473 64 P HA 0.050 nan 4.420 nan 0.000 0.225 64 P C 1.526 178.769 177.300 -0.095 0.000 1.156 64 P CA 0.508 63.580 63.100 -0.047 0.000 0.787 64 P CB 0.069 31.721 31.700 -0.079 0.000 0.802 65 A N 0.343 123.131 122.820 -0.053 0.000 1.855 65 A HA -0.093 4.227 4.320 0.001 0.000 0.215 65 A C 1.232 178.810 177.584 -0.011 0.000 1.191 65 A CA 0.924 52.934 52.037 -0.045 0.000 0.613 65 A CB -1.391 17.603 19.000 -0.011 0.000 0.829 65 A HN 0.220 nan 8.150 nan 0.000 0.442 66 N N -0.857 117.856 118.700 0.021 0.000 2.416 66 N HA 0.091 4.831 4.740 0.001 0.000 0.246 66 N C 0.416 175.984 175.510 0.096 0.000 1.260 66 N CA -0.112 52.981 53.050 0.071 0.000 0.897 66 N CB 0.005 38.533 38.487 0.068 0.000 1.110 66 N HN 0.301 nan 8.380 nan 0.000 0.439 67 F N 1.185 121.138 119.950 0.005 0.000 2.091 67 F HA -0.173 4.354 4.527 0.001 0.000 0.299 67 F C 1.306 177.114 175.800 0.014 0.000 1.103 67 F CA 1.233 59.242 58.000 0.016 0.000 1.228 67 F CB -0.086 38.928 39.000 0.022 0.000 0.984 67 F HN 0.382 nan 8.300 nan 0.000 0.477 68 S N 1.591 117.310 115.700 0.032 0.000 2.420 68 S HA 0.328 4.799 4.470 0.001 0.000 0.313 68 S C -1.417 173.177 174.600 -0.011 0.000 1.079 68 S CA -1.362 56.801 58.200 -0.062 0.000 1.104 68 S CB 1.013 64.230 63.200 0.028 0.000 0.969 68 S HN 0.111 nan 8.310 nan 0.000 0.471 69 P HA 0.027 nan 4.420 nan 0.000 0.221 69 P C 0.624 177.982 177.300 0.096 0.000 1.155 69 P CA 0.464 63.599 63.100 0.058 0.000 0.812 69 P CB 0.039 31.782 31.700 0.072 0.000 0.801 70 M N 0.621 120.238 119.600 0.028 0.000 2.184 70 M HA 0.119 4.599 4.480 0.001 0.000 0.351 70 M C 0.408 176.598 176.300 -0.184 0.000 1.395 70 M CA -0.007 55.145 55.300 -0.247 0.000 1.117 70 M CB 1.055 33.465 32.600 -0.315 0.000 1.708 70 M HN -0.311 nan 8.290 nan 0.000 0.468 71 V N 4.514 124.304 119.914 -0.206 0.000 3.431 71 V HA 0.434 4.554 4.120 0.001 0.000 0.253 71 V C 0.247 176.280 176.094 -0.102 0.000 1.184 71 V CA 0.966 63.205 62.300 -0.102 0.000 1.104 71 V CB 0.687 32.479 31.823 -0.053 0.000 0.799 71 V HN 0.922 nan 8.190 nan 0.000 0.462 72 A N -1.065 121.661 122.820 -0.158 0.000 2.577 72 A HA 0.725 5.045 4.320 0.001 0.000 0.297 72 A C -0.839 176.674 177.584 -0.118 0.000 1.060 72 A CA -0.162 51.815 52.037 -0.099 0.000 0.697 72 A CB 1.832 20.799 19.000 -0.054 0.000 1.281 72 A HN 0.001 nan 8.150 nan 0.000 0.402 73 S N 0.532 116.206 115.700 -0.042 0.000 2.571 73 S HA 0.747 5.217 4.470 0.001 0.000 0.284 73 S C -1.861 172.820 174.600 0.136 0.000 1.128 73 S CA -0.307 57.897 58.200 0.007 0.000 0.970 73 S CB 0.828 63.987 63.200 -0.068 0.000 1.039 73 S HN 1.342 nan 8.310 nan 0.000 0.485 74 F N 4.165 124.112 119.950 -0.004 0.000 2.445 74 F HA 0.516 5.043 4.527 0.001 0.000 0.348 74 F C -0.838 174.981 175.800 0.032 0.000 1.125 74 F CA -0.940 57.066 58.000 0.009 0.000 0.983 74 F CB 1.033 40.039 39.000 0.012 0.000 1.198 74 F HN 0.434 nan 8.300 nan 0.000 0.436 75 D N 5.137 125.266 120.400 -0.451 0.000 2.177 75 D HA 0.518 5.158 4.640 0.001 0.000 0.247 75 D C -0.963 174.901 176.300 -0.727 0.000 1.063 75 D CA 0.060 53.807 54.000 -0.422 0.000 0.867 75 D CB 2.506 43.179 40.800 -0.212 0.000 1.168 75 D HN 0.418 nan 8.370 nan 0.000 0.445 76 V N 2.498 122.115 119.914 -0.496 0.000 3.120 76 V HA 0.315 4.435 4.120 0.001 0.000 0.303 76 V C -0.951 175.047 176.094 -0.161 0.000 1.238 76 V CA -0.811 61.248 62.300 -0.401 0.000 1.008 76 V CB 2.177 33.727 31.823 -0.456 0.000 1.064 76 V HN 0.435 nan 8.190 nan 0.000 0.434 77 L N 6.524 127.688 121.223 -0.098 0.000 2.483 77 L HA 0.325 4.666 4.340 0.001 0.000 0.275 77 L C -1.881 174.976 176.870 -0.022 0.000 1.220 77 L CA -1.198 53.614 54.840 -0.046 0.000 0.833 77 L CB 0.397 42.439 42.059 -0.028 0.000 1.102 77 L HN 0.534 nan 8.230 nan 0.000 0.490 78 P HA 0.095 nan 4.420 nan 0.000 0.274 78 P C -0.671 176.635 177.300 0.009 0.000 1.237 78 P CA -0.377 62.725 63.100 0.004 0.000 0.793 78 P CB 0.619 32.321 31.700 0.004 0.000 0.977 79 R N 0.059 120.568 120.500 0.014 0.000 3.418 79 R HA -0.129 4.211 4.340 0.001 0.000 0.274 79 R C 0.421 176.732 176.300 0.019 0.000 1.108 79 R CA 0.460 56.567 56.100 0.012 0.000 0.741 79 R CB -2.295 28.008 30.300 0.006 0.000 1.223 79 R HN 0.549 nan 8.270 nan 0.000 0.434 80 M N -0.490 119.130 119.600 0.033 0.000 2.414 80 M HA 0.009 4.490 4.480 0.001 0.000 0.357 80 M C 0.089 176.421 176.300 0.053 0.000 1.059 80 M CA -0.147 55.179 55.300 0.044 0.000 0.959 80 M CB 1.217 33.851 32.600 0.057 0.000 1.522 80 M HN 0.020 nan 8.290 nan 0.000 0.551 81 K N 0.511 120.937 120.400 0.043 0.000 3.490 81 K HA -0.100 4.221 4.320 0.001 0.000 0.273 81 K C -2.550 174.077 176.600 0.046 0.000 0.916 81 K CA 0.429 56.736 56.287 0.033 0.000 0.718 81 K CB -2.671 29.840 32.500 0.018 0.000 1.477 81 K HN 0.506 nan 8.250 nan 0.000 0.452 82 P HA 0.336 nan 4.420 nan 0.000 0.275 82 P C -0.376 176.920 177.300 -0.007 0.000 1.227 82 P CA 0.006 63.166 63.100 0.101 0.000 0.781 82 P CB 0.916 32.807 31.700 0.317 0.000 0.906 83 E N 1.318 121.462 120.200 -0.093 0.000 2.290 83 E HA 0.465 4.816 4.350 0.001 0.000 0.274 83 E C -1.929 174.531 176.600 -0.234 0.000 0.889 83 E CA -0.868 55.456 56.400 -0.128 0.000 0.760 83 E CB 2.157 31.813 29.700 -0.072 0.000 1.206 83 E HN 0.124 nan 8.360 nan 0.000 0.419 84 V N 2.964 122.723 119.914 -0.258 0.000 2.588 84 V HA 0.494 4.615 4.120 0.001 0.000 0.304 84 V C -0.804 175.181 176.094 -0.181 0.000 1.042 84 V CA -0.423 61.678 62.300 -0.331 0.000 0.877 84 V CB 2.188 33.701 31.823 -0.516 0.000 0.996 84 V HN 0.712 nan 8.190 nan 0.000 0.425 85 S N 5.443 121.055 115.700 -0.147 0.000 2.536 85 S HA 0.941 5.412 4.470 0.001 0.000 0.298 85 S C -0.958 173.595 174.600 -0.078 0.000 1.083 85 S CA -0.587 57.558 58.200 -0.092 0.000 0.995 85 S CB 1.832 64.989 63.200 -0.073 0.000 1.058 85 S HN 0.695 nan 8.310 nan 0.000 0.488 86 L N -0.654 120.537 121.223 -0.053 0.000 2.720 86 L HA 0.907 5.247 4.340 0.001 0.000 0.261 86 L C -0.850 176.009 176.870 -0.018 0.000 1.046 86 L CA -1.103 53.712 54.840 -0.041 0.000 0.886 86 L CB 1.388 43.427 42.059 -0.033 0.000 1.493 86 L HN 0.514 nan 8.230 nan 0.000 0.407 87 R N 0.186 120.678 120.500 -0.013 0.000 2.513 87 R HA 0.952 5.293 4.340 0.001 0.000 0.301 87 R C -0.926 175.462 176.300 0.147 0.000 0.968 87 R CA -0.638 55.485 56.100 0.040 0.000 0.872 87 R CB 0.895 31.166 30.300 -0.048 0.000 1.177 87 R HN 0.935 nan 8.270 nan 0.000 0.444 88 M N -0.051 119.673 119.600 0.207 0.000 2.326 88 M HA 0.757 5.237 4.480 0.001 0.000 0.306 88 M C 0.349 176.764 176.300 0.192 0.000 1.054 88 M CA -1.082 54.348 55.300 0.216 0.000 0.922 88 M CB 2.118 34.778 32.600 0.100 0.000 1.632 88 M HN 0.886 nan 8.290 nan 0.000 0.436 89 R N 3.171 123.725 120.500 0.091 0.000 2.590 89 R HA 0.666 5.006 4.340 0.001 0.000 0.274 89 R C -0.792 175.453 176.300 -0.092 0.000 1.061 89 R CA 0.323 56.288 56.100 -0.224 0.000 1.081 89 R CB 0.153 30.206 30.300 -0.411 0.000 0.984 89 R HN 0.930 nan 8.270 nan 0.000 0.448 90 M N 2.274 121.813 119.600 -0.102 0.000 2.124 90 M HA 0.395 4.875 4.480 0.001 0.000 0.280 90 M C 0.555 176.822 176.300 -0.054 0.000 0.954 90 M CA -0.505 54.766 55.300 -0.049 0.000 0.958 90 M CB 2.577 35.166 32.600 -0.019 0.000 1.611 90 M HN 0.788 nan 8.290 nan 0.000 0.449 91 A N 1.790 124.585 122.820 -0.041 0.000 2.044 91 A HA 0.437 4.757 4.320 0.001 0.000 0.213 91 A C 0.953 178.526 177.584 -0.019 0.000 1.169 91 A CA 1.163 53.178 52.037 -0.037 0.000 0.724 91 A CB 0.193 19.174 19.000 -0.032 0.000 0.840 91 A HN 0.666 nan 8.150 nan 0.000 0.463 92 K N -0.966 119.428 120.400 -0.009 0.000 2.512 92 K HA 0.604 4.924 4.320 0.001 0.000 0.263 92 K C -0.182 176.419 176.600 0.002 0.000 0.966 92 K CA 0.064 56.350 56.287 -0.001 0.000 0.851 92 K CB 0.202 32.706 32.500 0.007 0.000 1.395 92 K HN 0.339 nan 8.250 nan 0.000 0.440 93 T N 1.618 116.175 114.554 0.005 0.000 2.831 93 T HA 0.269 4.620 4.350 0.001 0.000 0.291 93 T C -0.038 174.667 174.700 0.008 0.000 0.981 93 T CA 0.885 62.990 62.100 0.008 0.000 1.174 93 T CB -0.712 68.162 68.868 0.011 0.000 0.929 93 T HN 0.683 nan 8.240 nan 0.000 0.532 94 E N 4.139 124.343 120.200 0.008 0.000 2.390 94 E HA 0.347 4.697 4.350 0.001 0.000 0.277 94 E C -1.236 175.370 176.600 0.011 0.000 0.939 94 E CA -1.223 55.181 56.400 0.007 0.000 0.769 94 E CB 1.056 30.762 29.700 0.008 0.000 1.251 94 E HN 0.409 nan 8.360 nan 0.000 0.450 95 N N 2.015 120.720 118.700 0.008 0.000 2.472 95 N HA 0.297 5.037 4.740 0.001 0.000 0.277 95 N C -0.597 174.930 175.510 0.028 0.000 1.081 95 N CA -0.255 52.803 53.050 0.014 0.000 0.973 95 N CB 1.090 39.579 38.487 0.003 0.000 1.105 95 N HN 0.410 nan 8.380 nan 0.000 0.470 96 L N 1.812 123.057 121.223 0.037 0.000 2.292 96 L HA 0.421 4.761 4.340 0.001 0.000 0.284 96 L C -0.144 176.769 176.870 0.072 0.000 1.065 96 L CA -0.727 54.147 54.840 0.056 0.000 0.806 96 L CB 1.200 43.287 42.059 0.047 0.000 1.175 96 L HN 0.067 nan 8.230 nan 0.000 0.431 97 V N 4.331 124.317 119.914 0.119 0.000 2.407 97 V HA 0.372 4.492 4.120 0.001 0.000 0.291 97 V C -0.149 176.086 176.094 0.235 0.000 1.018 97 V CA -0.635 61.750 62.300 0.141 0.000 0.842 97 V CB 2.015 33.902 31.823 0.106 0.000 0.996 97 V HN 0.406 nan 8.190 nan 0.000 0.426 98 V N 5.844 125.864 119.914 0.176 0.000 2.398 98 V HA 0.522 4.643 4.120 0.001 0.000 0.286 98 V C -0.166 176.054 176.094 0.210 0.000 1.026 98 V CA -0.544 61.875 62.300 0.199 0.000 0.868 98 V CB 1.870 33.765 31.823 0.121 0.000 0.982 98 V HN 0.604 nan 8.190 nan 0.000 0.443 99 V N 5.603 125.702 119.914 0.308 0.000 2.495 99 V HA 0.518 4.639 4.120 0.001 0.000 0.298 99 V C -0.234 175.969 176.094 0.182 0.000 1.031 99 V CA -0.619 61.816 62.300 0.225 0.000 0.871 99 V CB 2.006 34.010 31.823 0.301 0.000 0.988 99 V HN 0.590 nan 8.190 nan 0.000 0.432 100 V N 4.604 124.571 119.914 0.089 0.000 2.417 100 V HA 0.431 4.551 4.120 0.001 0.000 0.291 100 V C -0.127 175.970 176.094 0.005 0.000 1.024 100 V CA -0.513 61.843 62.300 0.094 0.000 0.861 100 V CB 1.678 33.574 31.823 0.122 0.000 0.985 100 V HN 0.952 nan 8.190 nan 0.000 0.436 101 Q N 3.290 123.064 119.800 -0.043 0.000 2.314 101 Q HA 0.741 5.081 4.340 0.001 0.000 0.259 101 Q C -0.703 175.333 176.000 0.059 0.000 0.951 101 Q CA -0.461 55.290 55.803 -0.087 0.000 0.909 101 Q CB 1.577 30.239 28.738 -0.126 0.000 1.236 101 Q HN 0.924 nan 8.270 nan 0.000 0.444 102 A N 3.398 126.291 122.820 0.121 0.000 2.427 102 A HA 0.783 5.103 4.320 0.001 0.000 0.298 102 A C 0.170 177.826 177.584 0.119 0.000 1.036 102 A CA 0.143 52.252 52.037 0.120 0.000 0.701 102 A CB 1.264 20.336 19.000 0.120 0.000 1.250 102 A HN 1.103 nan 8.150 nan 0.000 0.412 103 G N 1.508 110.348 108.800 0.067 0.000 2.574 103 G HA2 0.124 4.085 3.960 0.001 0.000 0.286 103 G HA3 0.124 4.085 3.960 0.001 0.000 0.286 103 G C 0.935 175.850 174.900 0.025 0.000 1.212 103 G CA 0.404 45.532 45.100 0.048 0.000 0.979 103 G HN 2.205 nan 8.290 nan 0.000 0.557 104 G N 0.228 109.033 108.800 0.007 0.000 3.702 104 G HA2 0.540 4.500 3.960 0.001 0.000 0.288 104 G HA3 0.540 4.500 3.960 0.001 0.000 0.288 104 G C 0.263 175.122 174.900 -0.068 0.000 1.193 104 G CA 0.669 45.758 45.100 -0.019 0.000 0.952 104 G HN 0.644 nan 8.290 nan 0.000 0.544 105 K N 0.204 120.545 120.400 -0.098 0.000 2.426 105 K HA 0.556 4.877 4.320 0.001 0.000 0.251 105 K C -1.049 175.326 176.600 -0.375 0.000 0.941 105 K CA -0.728 55.405 56.287 -0.258 0.000 0.808 105 K CB 2.711 35.020 32.500 -0.317 0.000 1.265 105 K HN -0.017 nan 8.250 nan 0.000 0.432 106 L N 2.616 123.539 121.223 -0.501 0.000 2.317 106 L HA 0.516 4.856 4.340 0.001 0.000 0.281 106 L C -1.056 175.450 176.870 -0.608 0.000 1.024 106 L CA -0.953 53.600 54.840 -0.478 0.000 0.810 106 L CB 0.570 42.376 42.059 -0.421 0.000 1.240 106 L HN 0.507 nan 8.230 nan 0.000 0.427 107 Y N 1.552 121.776 120.300 -0.126 0.000 2.425 107 Y HA 0.631 5.182 4.550 0.000 0.000 0.344 107 Y C -0.165 175.705 175.900 -0.051 0.000 0.969 107 Y CA -0.721 57.337 58.100 -0.070 0.000 1.052 107 Y CB 2.110 40.541 38.460 -0.048 0.000 1.215 107 Y HN 0.472 nan 8.280 nan 0.000 0.451 108 R N 1.805 122.363 120.500 0.097 0.000 2.686 108 R HA 0.943 5.284 4.340 0.001 0.000 0.286 108 R C -1.679 174.658 176.300 0.062 0.000 0.969 108 R CA -0.714 55.419 56.100 0.055 0.000 0.898 108 R CB 1.540 31.840 30.300 -0.000 0.000 1.183 108 R HN 0.832 nan 8.270 nan 0.000 0.456 109 A N 2.655 125.512 122.820 0.061 0.000 2.572 109 A HA 0.672 4.993 4.320 0.001 0.000 0.295 109 A C -1.781 175.831 177.584 0.047 0.000 1.072 109 A CA -0.631 51.435 52.037 0.049 0.000 0.691 109 A CB 2.185 21.215 19.000 0.050 0.000 1.291 109 A HN 0.504 nan 8.150 nan 0.000 0.404 110 V N 1.440 121.375 119.914 0.035 0.000 2.925 110 V HA 0.909 5.030 4.120 0.001 0.000 0.311 110 V C -0.866 175.244 176.094 0.027 0.000 1.104 110 V CA -0.668 61.651 62.300 0.032 0.000 0.954 110 V CB 2.026 33.860 31.823 0.019 0.000 1.022 110 V HN 1.079 nan 8.190 nan 0.000 0.427 111 R N 3.557 124.074 120.500 0.028 0.000 2.548 111 R HA 0.428 4.768 4.340 0.001 0.000 0.280 111 R C -1.123 175.189 176.300 0.021 0.000 1.061 111 R CA -0.546 55.568 56.100 0.023 0.000 0.915 111 R CB 2.044 32.358 30.300 0.023 0.000 1.210 111 R HN 0.912 nan 8.270 nan 0.000 0.442 112 E N 2.847 123.057 120.200 0.017 0.000 2.266 112 E HA 0.311 4.661 4.350 0.001 0.000 0.277 112 E C -1.219 175.391 176.600 0.016 0.000 1.018 112 E CA -0.582 55.828 56.400 0.016 0.000 0.840 112 E CB 1.625 31.334 29.700 0.015 0.000 1.082 112 E HN 0.263 nan 8.360 nan 0.000 0.395 113 V N 3.344 123.267 119.914 0.015 0.000 2.380 113 V HA 0.310 4.431 4.120 0.001 0.000 0.286 113 V C 0.302 176.403 176.094 0.012 0.000 1.015 113 V CA -0.686 61.623 62.300 0.014 0.000 0.834 113 V CB 0.860 32.692 31.823 0.016 0.000 1.009 113 V HN 0.746 nan 8.190 nan 0.000 0.428 114 K N 3.648 124.055 120.400 0.011 0.000 2.326 114 K HA 0.705 5.025 4.320 0.001 0.000 0.275 114 K C -0.334 176.270 176.600 0.007 0.000 1.018 114 K CA -0.079 56.214 56.287 0.010 0.000 0.962 114 K CB 1.162 33.669 32.500 0.011 0.000 0.953 114 K HN 0.484 nan 8.250 nan 0.000 0.475 115 V N 0.000 119.917 119.914 0.005 0.000 2.409 115 V HA 0.000 4.120 4.120 0.001 0.000 0.244 115 V CA 0.000 62.300 62.300 -0.000 0.000 1.235 115 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 115 V HN 0.000 nan 8.190 nan 0.000 0.556