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 1hiw_1_C DATA FIRST_RESID 7 DATA SEQUENCE VLSGGELDKW EKIRLRPGGK KQYKLKHIVW ASRELERFAV NPGLLETSEG DATA SEQUENCE CRQILGQLQP SLQTGSEELR SLYNTIAVLY CVHQRIDVKD TKEALDKIEE DATA SEQUENCE EQNKSKKKAQ QAA 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.104 176.094 0.017 0.000 1.182 7 V CA 0.000 62.284 62.300 -0.027 0.000 1.235 7 V CB 0.000 31.765 31.823 -0.097 0.000 1.184 8 L N 2.100 123.254 121.223 -0.115 0.000 2.344 8 L HA 0.733 5.073 4.340 0.000 0.000 0.272 8 L C 0.274 177.107 176.870 -0.062 0.000 1.035 8 L CA -0.084 54.674 54.840 -0.137 0.000 0.807 8 L CB 1.914 43.782 42.059 -0.320 0.000 1.237 8 L HN 0.561 nan 8.230 nan 0.000 0.442 9 S N 0.061 115.742 115.700 -0.032 0.000 2.617 9 S HA 0.333 4.803 4.470 0.000 0.000 0.283 9 S C 1.136 175.727 174.600 -0.015 0.000 1.189 9 S CA -0.169 58.021 58.200 -0.016 0.000 1.036 9 S CB 1.632 64.832 63.200 -0.001 0.000 1.014 9 S HN 0.824 nan 8.310 nan 0.000 0.522 10 G N 1.911 110.709 108.800 -0.003 0.000 2.679 10 G HA2 -0.264 3.696 3.960 0.000 0.000 0.222 10 G HA3 -0.264 3.696 3.960 0.000 0.000 0.222 10 G C 1.326 176.237 174.900 0.018 0.000 1.164 10 G CA 1.134 46.240 45.100 0.010 0.000 0.769 10 G HN 1.143 nan 8.290 nan 0.000 0.610 11 G N 0.175 108.983 108.800 0.012 0.000 2.402 11 G HA2 -0.083 3.877 3.960 0.000 0.000 0.216 11 G HA3 -0.083 3.877 3.960 0.000 0.000 0.216 11 G C 1.631 176.542 174.900 0.019 0.000 1.162 11 G CA 1.103 46.213 45.100 0.016 0.000 0.777 11 G HN 0.555 nan 8.290 nan 0.000 0.539 12 E N -0.337 119.864 120.200 0.000 0.000 2.085 12 E HA -0.114 4.236 4.350 0.000 0.000 0.194 12 E C 2.350 178.965 176.600 0.025 0.000 0.994 12 E CA 0.688 57.076 56.400 -0.020 0.000 0.801 12 E CB -0.162 29.489 29.700 -0.081 0.000 0.743 12 E HN 0.327 nan 8.360 nan 0.000 0.453 13 L N 1.281 122.519 121.223 0.024 0.000 2.201 13 L HA -0.132 4.208 4.340 0.000 0.000 0.212 13 L C 1.256 178.238 176.870 0.186 0.000 1.105 13 L CA 1.641 56.543 54.840 0.103 0.000 0.775 13 L CB -0.068 42.018 42.059 0.044 0.000 0.913 13 L HN -0.044 nan 8.230 nan 0.000 0.440 14 D N -0.763 119.704 120.400 0.112 0.000 2.120 14 D HA -0.135 4.505 4.640 0.000 0.000 0.202 14 D C 2.130 178.492 176.300 0.104 0.000 0.972 14 D CA 0.923 54.982 54.000 0.098 0.000 0.837 14 D CB -0.010 40.825 40.800 0.058 0.000 0.989 14 D HN 0.184 nan 8.370 nan 0.000 0.469 15 K N 0.078 120.534 120.400 0.093 0.000 2.044 15 K HA -0.178 4.142 4.320 0.000 0.000 0.210 15 K C 2.088 178.776 176.600 0.146 0.000 1.049 15 K CA 1.106 57.446 56.287 0.087 0.000 0.927 15 K CB -0.236 32.299 32.500 0.058 0.000 0.713 15 K HN 0.335 nan 8.250 nan 0.000 0.443 16 W N 1.931 123.212 121.300 -0.032 0.000 2.332 16 W HA -0.209 4.451 4.660 0.000 0.000 0.321 16 W C 0.911 177.459 176.519 0.048 0.000 1.219 16 W CA 1.392 58.721 57.345 -0.026 0.000 1.277 16 W CB -0.071 29.368 29.460 -0.035 0.000 1.161 16 W HN 0.080 nan 8.180 nan 0.000 0.476 17 E N 0.340 120.649 120.200 0.181 0.000 2.526 17 E HA -0.141 4.209 4.350 0.000 0.000 0.198 17 E C 1.532 178.124 176.600 -0.013 0.000 1.091 17 E CA 0.478 56.889 56.400 0.018 0.000 0.880 17 E CB -0.057 29.728 29.700 0.142 0.000 0.873 17 E HN 0.320 nan 8.360 nan 0.000 0.527 18 K N 0.669 121.069 120.400 -0.001 0.000 2.374 18 K HA 0.178 4.498 4.320 0.000 0.000 0.202 18 K C 0.343 176.927 176.600 -0.027 0.000 1.040 18 K CA -0.076 56.206 56.287 -0.008 0.000 1.085 18 K CB 0.658 33.168 32.500 0.017 0.000 0.873 18 K HN -0.017 nan 8.250 nan 0.000 0.539 19 I N 3.278 123.821 120.570 -0.046 0.000 2.499 19 I HA 0.191 4.361 4.170 0.000 0.000 0.296 19 I C 0.161 176.260 176.117 -0.031 0.000 0.992 19 I CA -0.840 60.449 61.300 -0.020 0.000 1.297 19 I CB 1.231 39.222 38.000 -0.014 0.000 1.410 19 I HN 0.063 nan 8.210 nan 0.000 0.507 20 R N 5.776 126.255 120.500 -0.036 0.000 2.604 20 R HA 0.488 4.828 4.340 0.000 0.000 0.287 20 R C 0.228 176.434 176.300 -0.158 0.000 0.970 20 R CA -0.815 55.205 56.100 -0.133 0.000 0.946 20 R CB 1.254 31.491 30.300 -0.104 0.000 1.127 20 R HN 0.580 nan 8.270 nan 0.000 0.473 21 L N 0.095 121.090 121.223 -0.380 0.000 2.093 21 L HA 0.032 4.372 4.340 0.000 0.000 0.208 21 L C 0.691 177.467 176.870 -0.156 0.000 1.085 21 L CA 1.276 55.874 54.840 -0.403 0.000 0.755 21 L CB -0.473 41.267 42.059 -0.533 0.000 0.904 21 L HN 0.540 nan 8.230 nan 0.000 0.435 22 R N -1.427 118.997 120.500 -0.126 0.000 2.795 22 R HA 0.337 4.677 4.340 0.000 0.000 0.275 22 R C -1.997 174.272 176.300 -0.051 0.000 0.981 22 R CA -1.765 54.293 56.100 -0.069 0.000 0.917 22 R CB 1.382 31.641 30.300 -0.069 0.000 1.202 22 R HN -0.330 nan 8.270 nan 0.000 0.469 23 P HA -0.198 nan 4.420 nan 0.000 0.207 23 P C 0.625 177.909 177.300 -0.026 0.000 0.926 23 P CA 1.241 64.329 63.100 -0.021 0.000 0.982 23 P CB -0.090 31.603 31.700 -0.012 0.000 0.686 24 G N -0.436 108.350 108.800 -0.024 0.000 3.325 24 G HA2 0.305 4.265 3.960 0.000 0.000 0.242 24 G HA3 0.305 4.265 3.960 0.000 0.000 0.242 24 G C 0.550 175.429 174.900 -0.036 0.000 1.120 24 G CA 0.172 45.257 45.100 -0.026 0.000 1.778 24 G HN 0.438 nan 8.290 nan 0.000 0.610 25 G N -0.742 108.030 108.800 -0.047 0.000 2.488 25 G HA2 0.435 4.395 3.960 0.000 0.000 0.318 25 G HA3 0.435 4.395 3.960 0.000 0.000 0.318 25 G C 0.624 175.484 174.900 -0.067 0.000 1.188 25 G CA -0.558 44.504 45.100 -0.062 0.000 0.944 25 G HN 0.133 nan 8.290 nan 0.000 0.495 26 K N -0.352 120.004 120.400 -0.074 0.000 2.172 26 K HA 0.088 4.408 4.320 0.000 0.000 0.203 26 K C 0.739 177.285 176.600 -0.089 0.000 1.040 26 K CA 0.509 56.755 56.287 -0.069 0.000 0.974 26 K CB -0.056 32.410 32.500 -0.058 0.000 0.857 26 K HN 0.419 nan 8.250 nan 0.000 0.464 27 K N 1.906 122.238 120.400 -0.115 0.000 2.326 27 K HA 0.050 4.370 4.320 0.000 0.000 0.275 27 K C 0.040 176.506 176.600 -0.224 0.000 1.018 27 K CA 0.304 56.502 56.287 -0.149 0.000 0.962 27 K CB 0.942 33.348 32.500 -0.157 0.000 0.953 27 K HN 0.114 nan 8.250 nan 0.000 0.475 28 Q N 0.782 120.445 119.800 -0.229 0.000 2.633 28 Q HA 0.315 4.655 4.340 0.000 0.000 0.292 28 Q C -1.222 174.532 176.000 -0.409 0.000 1.089 28 Q CA -0.980 54.647 55.803 -0.293 0.000 0.811 28 Q CB 1.137 29.778 28.738 -0.162 0.000 1.472 28 Q HN 0.399 nan 8.270 nan 0.000 0.464 29 Y N 1.375 121.331 120.300 -0.573 0.000 2.436 29 Y HA 0.118 4.668 4.550 0.000 0.000 0.343 29 Y C 0.464 176.091 175.900 -0.455 0.000 1.008 29 Y CA 0.147 57.708 58.100 -0.897 0.000 1.241 29 Y CB 0.400 37.708 38.460 -1.920 0.000 1.153 29 Y HN 0.117 nan 8.280 nan 0.000 0.521 30 K N 2.107 122.737 120.400 0.383 0.000 2.155 30 K HA 0.109 4.429 4.320 0.000 0.000 0.237 30 K C 0.978 177.935 176.600 0.594 0.000 1.040 30 K CA -0.479 55.997 56.287 0.313 0.000 0.912 30 K CB 0.784 33.332 32.500 0.080 0.000 1.137 30 K HN 0.590 nan 8.250 nan 0.000 0.498 31 L N 2.135 123.585 121.223 0.378 0.000 2.083 31 L HA -0.185 4.155 4.340 0.000 0.000 0.209 31 L C 2.355 179.369 176.870 0.239 0.000 1.083 31 L CA 1.774 56.814 54.840 0.333 0.000 0.752 31 L CB -0.427 41.736 42.059 0.173 0.000 0.899 31 L HN 0.615 nan 8.230 nan 0.000 0.433 32 K N -1.627 118.812 120.400 0.065 0.000 2.211 32 K HA -0.249 4.071 4.320 0.000 0.000 0.204 32 K C 1.709 178.315 176.600 0.010 0.000 1.047 32 K CA 2.117 58.376 56.287 -0.047 0.000 0.935 32 K CB -0.741 31.630 32.500 -0.215 0.000 0.728 32 K HN 0.448 nan 8.250 nan 0.000 0.452 33 H N 0.681 119.957 119.070 0.343 0.000 2.428 33 H HA 0.116 4.672 4.556 0.000 0.000 0.296 33 H C 2.040 177.666 175.328 0.497 0.000 1.062 33 H CA 1.429 57.746 56.048 0.448 0.000 1.350 33 H CB -0.006 30.123 29.762 0.611 0.000 1.403 33 H HN 0.095 nan 8.280 nan 0.000 0.533 34 I N -0.084 120.779 120.570 0.489 0.000 2.353 34 I HA -0.193 3.977 4.170 0.000 0.000 0.248 34 I C 1.823 178.032 176.117 0.153 0.000 1.119 34 I CA 0.572 61.980 61.300 0.181 0.000 1.417 34 I CB 0.017 37.972 38.000 -0.074 0.000 1.078 34 I HN 0.116 nan 8.210 nan 0.000 0.421 35 V N -0.071 119.948 119.914 0.175 0.000 2.307 35 V HA -0.287 3.833 4.120 0.000 0.000 0.245 35 V C 2.131 178.333 176.094 0.180 0.000 1.045 35 V CA 1.923 64.305 62.300 0.135 0.000 1.024 35 V CB -0.877 31.018 31.823 0.121 0.000 0.651 35 V HN 0.624 nan 8.190 nan 0.000 0.449 36 W N 1.303 122.634 121.300 0.053 0.000 2.335 36 W HA -0.251 4.410 4.660 0.000 0.000 0.311 36 W C 2.481 179.022 176.519 0.038 0.000 1.213 36 W CA 2.479 59.855 57.345 0.051 0.000 1.274 36 W CB -0.387 29.116 29.460 0.073 0.000 1.148 36 W HN 0.187 nan 8.180 nan 0.000 0.498 37 A N 0.097 123.066 122.820 0.249 0.000 1.933 37 A HA -0.209 4.111 4.320 0.000 0.000 0.218 37 A C 2.031 179.519 177.584 -0.161 0.000 1.175 37 A CA 2.535 54.551 52.037 -0.035 0.000 0.628 37 A CB -1.313 17.798 19.000 0.186 0.000 0.814 37 A HN 0.392 nan 8.150 nan 0.000 0.444 38 S N 0.333 115.995 115.700 -0.063 0.000 2.355 38 S HA -0.161 4.309 4.470 0.000 0.000 0.222 38 S C 1.986 176.517 174.600 -0.116 0.000 1.031 38 S CA 1.031 59.185 58.200 -0.077 0.000 0.993 38 S CB -0.424 62.757 63.200 -0.031 0.000 0.859 38 S HN 0.588 nan 8.310 nan 0.000 0.453 39 R N 1.466 121.890 120.500 -0.127 0.000 2.081 39 R HA 0.056 4.396 4.340 0.000 0.000 0.235 39 R C 2.158 178.325 176.300 -0.222 0.000 1.131 39 R CA 1.029 57.047 56.100 -0.136 0.000 0.960 39 R CB -0.770 29.470 30.300 -0.100 0.000 0.856 39 R HN 0.467 nan 8.270 nan 0.000 0.436 40 E N 1.169 121.096 120.200 -0.454 0.000 2.085 40 E HA -0.141 4.209 4.350 0.000 0.000 0.194 40 E C 2.256 178.615 176.600 -0.402 0.000 0.994 40 E CA 0.916 56.971 56.400 -0.576 0.000 0.801 40 E CB -0.249 28.778 29.700 -1.121 0.000 0.743 40 E HN 0.327 nan 8.360 nan 0.000 0.453 41 L N 1.037 122.054 121.223 -0.342 0.000 2.027 41 L HA -0.203 4.137 4.340 0.000 0.000 0.206 41 L C 2.544 179.400 176.870 -0.025 0.000 1.074 41 L CA 1.523 56.246 54.840 -0.195 0.000 0.745 41 L CB -0.654 41.311 42.059 -0.156 0.000 0.898 41 L HN 0.197 nan 8.230 nan 0.000 0.433 42 E N 0.380 120.559 120.200 -0.034 0.000 2.097 42 E HA -0.331 4.019 4.350 0.000 0.000 0.196 42 E C 2.187 178.815 176.600 0.048 0.000 1.000 42 E CA 1.419 57.821 56.400 0.004 0.000 0.804 42 E CB -0.513 29.179 29.700 -0.014 0.000 0.740 42 E HN 0.440 nan 8.360 nan 0.000 0.454 43 R N 0.576 121.122 120.500 0.076 0.000 2.081 43 R HA -0.134 4.206 4.340 0.000 0.000 0.235 43 R C 1.653 178.074 176.300 0.202 0.000 1.131 43 R CA 1.442 57.622 56.100 0.133 0.000 0.960 43 R CB -0.245 30.158 30.300 0.171 0.000 0.856 43 R HN 0.141 nan 8.270 nan 0.000 0.436 44 F N 0.734 120.645 119.950 -0.065 0.000 2.805 44 F HA 0.243 4.770 4.527 -0.000 0.000 0.301 44 F C 1.349 177.130 175.800 -0.032 0.000 1.196 44 F CA 0.371 58.344 58.000 -0.044 0.000 1.439 44 F CB -0.277 38.696 39.000 -0.045 0.000 1.117 44 F HN 0.277 nan 8.300 nan 0.000 0.581 45 A N -0.711 122.186 122.820 0.128 0.000 2.826 45 A HA -0.188 4.132 4.320 0.000 0.000 0.274 45 A C 0.166 177.786 177.584 0.059 0.000 1.443 45 A CA 0.690 52.764 52.037 0.062 0.000 0.833 45 A CB -2.496 16.524 19.000 0.032 0.000 1.023 45 A HN 0.053 nan 8.150 nan 0.000 0.600 46 V N 0.291 120.247 119.914 0.071 0.000 2.612 46 V HA 0.450 4.570 4.120 0.000 0.000 0.301 46 V C 0.657 176.753 176.094 0.002 0.000 1.046 46 V CA -0.410 61.911 62.300 0.035 0.000 0.946 46 V CB 1.763 33.606 31.823 0.034 0.000 1.003 46 V HN 0.604 nan 8.190 nan 0.000 0.459 47 N N 5.094 123.790 118.700 -0.006 0.000 2.399 47 N HA 0.224 4.964 4.740 0.000 0.000 0.259 47 N C -1.703 173.790 175.510 -0.028 0.000 1.160 47 N CA -1.859 51.182 53.050 -0.015 0.000 0.946 47 N CB 1.371 39.849 38.487 -0.014 0.000 1.156 47 N HN 0.279 nan 8.380 nan 0.000 0.489 48 P HA 0.001 nan 4.420 nan 0.000 0.225 48 P C 1.033 178.310 177.300 -0.037 0.000 1.148 48 P CA 0.720 63.795 63.100 -0.042 0.000 0.779 48 P CB 0.117 31.791 31.700 -0.042 0.000 0.780 49 G N -0.434 108.347 108.800 -0.033 0.000 2.598 49 G HA2 -0.134 3.826 3.960 0.000 0.000 0.215 49 G HA3 -0.134 3.826 3.960 0.000 0.000 0.215 49 G C 1.331 176.205 174.900 -0.044 0.000 1.131 49 G CA 0.082 45.160 45.100 -0.036 0.000 0.785 49 G HN 0.248 nan 8.290 nan 0.000 0.539 50 L N -0.024 121.175 121.223 -0.040 0.000 2.191 50 L HA 0.026 4.366 4.340 0.000 0.000 0.212 50 L C 2.680 179.523 176.870 -0.045 0.000 1.103 50 L CA 0.344 55.158 54.840 -0.043 0.000 0.769 50 L CB -0.301 41.737 42.059 -0.035 0.000 0.908 50 L HN 0.176 nan 8.230 nan 0.000 0.438 51 L N 0.361 121.565 121.223 -0.031 0.000 2.187 51 L HA -0.190 4.150 4.340 0.000 0.000 0.213 51 L C 2.257 179.156 176.870 0.048 0.000 1.100 51 L CA 1.218 56.059 54.840 0.003 0.000 0.765 51 L CB -0.472 41.577 42.059 -0.016 0.000 0.904 51 L HN 0.491 nan 8.230 nan 0.000 0.437 52 E N -0.064 120.109 120.200 -0.045 0.000 2.368 52 E HA 0.004 4.354 4.350 0.000 0.000 0.188 52 E C 0.412 176.751 176.600 -0.434 0.000 1.061 52 E CA 0.057 56.381 56.400 -0.125 0.000 0.933 52 E CB 0.039 29.695 29.700 -0.074 0.000 1.091 52 E HN 0.247 nan 8.360 nan 0.000 0.458 53 T N -2.355 111.937 114.554 -0.437 0.000 2.916 53 T HA 0.259 4.609 4.350 0.000 0.000 0.305 53 T C 0.730 175.247 174.700 -0.304 0.000 1.119 53 T CA -0.375 61.441 62.100 -0.473 0.000 1.008 53 T CB 1.885 70.624 68.868 -0.214 0.000 1.129 53 T HN -0.079 nan 8.240 nan 0.000 0.480 54 S N 1.668 117.232 115.700 -0.226 0.000 2.365 54 S HA -0.131 4.339 4.470 0.000 0.000 0.225 54 S C 1.788 176.514 174.600 0.210 0.000 1.039 54 S CA 1.341 59.581 58.200 0.067 0.000 1.033 54 S CB -0.407 62.776 63.200 -0.028 0.000 0.887 54 S HN 0.815 nan 8.310 nan 0.000 0.447 55 E N 0.727 120.973 120.200 0.075 0.000 2.051 55 E HA -0.124 4.226 4.350 0.000 0.000 0.192 55 E C 2.325 178.937 176.600 0.021 0.000 0.991 55 E CA 1.226 57.661 56.400 0.058 0.000 0.799 55 E CB -0.561 29.146 29.700 0.013 0.000 0.748 55 E HN 0.513 nan 8.360 nan 0.000 0.449 56 G N 0.704 109.498 108.800 -0.011 0.000 2.421 56 G HA2 -0.284 3.676 3.960 0.000 0.000 0.216 56 G HA3 -0.284 3.676 3.960 0.000 0.000 0.216 56 G C 1.955 176.844 174.900 -0.018 0.000 1.171 56 G CA 1.018 46.104 45.100 -0.023 0.000 0.775 56 G HN 0.348 nan 8.290 nan 0.000 0.543 57 C N -0.227 119.081 119.300 0.014 0.000 2.401 57 C HA -0.043 4.417 4.460 0.000 0.000 0.276 57 C C 2.854 177.798 174.990 -0.076 0.000 1.233 57 C CA 1.036 60.067 59.018 0.022 0.000 1.753 57 C CB -0.866 26.982 27.740 0.180 0.000 2.029 57 C HN 0.510 nan 8.230 nan 0.000 0.478 58 R N 0.338 120.798 120.500 -0.067 0.000 2.083 58 R HA -0.178 4.162 4.340 0.000 0.000 0.237 58 R C 2.322 178.537 176.300 -0.142 0.000 1.137 58 R CA 1.766 57.733 56.100 -0.222 0.000 0.951 58 R CB -0.336 29.904 30.300 -0.099 0.000 0.851 58 R HN 0.661 nan 8.270 nan 0.000 0.434 59 Q N -0.125 119.633 119.800 -0.070 0.000 2.119 59 Q HA -0.114 4.226 4.340 0.000 0.000 0.201 59 Q C 2.187 178.162 176.000 -0.041 0.000 0.972 59 Q CA 1.337 57.113 55.803 -0.044 0.000 0.847 59 Q CB -0.013 28.710 28.738 -0.024 0.000 0.903 59 Q HN 0.434 nan 8.270 nan 0.000 0.433 60 I N 0.567 121.104 120.570 -0.056 0.000 2.252 60 I HA -0.276 3.894 4.170 0.000 0.000 0.245 60 I C 2.147 178.228 176.117 -0.059 0.000 1.102 60 I CA 1.043 62.313 61.300 -0.049 0.000 1.385 60 I CB -0.246 37.716 38.000 -0.065 0.000 1.064 60 I HN 0.220 nan 8.210 nan 0.000 0.414 61 L N 0.413 121.544 121.223 -0.152 0.000 2.017 61 L HA -0.131 4.209 4.340 0.000 0.000 0.208 61 L C 2.734 179.632 176.870 0.046 0.000 1.073 61 L CA 1.684 56.391 54.840 -0.222 0.000 0.745 61 L CB -1.280 40.504 42.059 -0.457 0.000 0.894 61 L HN 0.309 nan 8.230 nan 0.000 0.432 62 G N -1.209 107.588 108.800 -0.005 0.000 2.442 62 G HA2 -0.287 3.673 3.960 0.000 0.000 0.219 62 G HA3 -0.287 3.673 3.960 0.000 0.000 0.219 62 G C 1.534 176.473 174.900 0.066 0.000 1.141 62 G CA 0.367 45.489 45.100 0.038 0.000 0.763 62 G HN 0.335 nan 8.290 nan 0.000 0.554 63 Q N -0.450 119.384 119.800 0.057 0.000 2.046 63 Q HA 0.069 4.409 4.340 0.000 0.000 0.200 63 Q C 2.701 178.767 176.000 0.111 0.000 0.975 63 Q CA 0.738 56.582 55.803 0.068 0.000 0.836 63 Q CB -0.165 28.605 28.738 0.053 0.000 0.896 63 Q HN 0.489 nan 8.270 nan 0.000 0.428 64 L N 0.753 122.078 121.223 0.170 0.000 2.141 64 L HA -0.214 4.126 4.340 0.000 0.000 0.209 64 L C 2.640 179.625 176.870 0.192 0.000 1.094 64 L CA 1.170 56.153 54.840 0.239 0.000 0.763 64 L CB -0.522 41.772 42.059 0.391 0.000 0.908 64 L HN 0.310 nan 8.230 nan 0.000 0.437 65 Q N 1.439 121.381 119.800 0.236 0.000 2.112 65 Q HA -0.187 4.153 4.340 0.000 0.000 0.206 65 Q C -0.683 175.302 176.000 -0.025 0.000 0.987 65 Q CA 2.119 57.957 55.803 0.059 0.000 0.858 65 Q CB -1.612 27.209 28.738 0.138 0.000 0.905 65 Q HN 0.237 nan 8.270 nan 0.000 0.420 66 P HA -0.016 nan 4.420 nan 0.000 0.222 66 P C 0.705 178.004 177.300 -0.002 0.000 1.147 66 P CA 1.493 64.596 63.100 0.004 0.000 0.790 66 P CB -0.018 31.693 31.700 0.019 0.000 0.780 67 S N -1.390 114.316 115.700 0.010 0.000 2.558 67 S HA 0.119 4.589 4.470 0.000 0.000 0.217 67 S C 1.644 176.239 174.600 -0.007 0.000 0.975 67 S CA 0.112 58.323 58.200 0.017 0.000 0.912 67 S CB -0.630 62.606 63.200 0.061 0.000 0.776 67 S HN 0.128 nan 8.310 nan 0.000 0.526 68 L N 1.438 122.622 121.223 -0.066 0.000 2.017 68 L HA -0.160 4.180 4.340 0.000 0.000 0.208 68 L C 2.846 179.672 176.870 -0.074 0.000 1.073 68 L CA 1.458 56.223 54.840 -0.124 0.000 0.745 68 L CB -0.461 41.420 42.059 -0.295 0.000 0.894 68 L HN 0.391 nan 8.230 nan 0.000 0.432 69 Q N -0.399 119.362 119.800 -0.064 0.000 2.135 69 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 69 Q C 1.494 177.482 176.000 -0.019 0.000 0.981 69 Q CA 2.203 57.982 55.803 -0.040 0.000 0.856 69 Q CB 0.082 28.800 28.738 -0.033 0.000 0.902 69 Q HN 0.579 nan 8.270 nan 0.000 0.425 70 T N -3.401 111.147 114.554 -0.010 0.000 3.134 70 T HA 0.365 4.715 4.350 0.000 0.000 0.260 70 T C 0.526 175.234 174.700 0.013 0.000 1.027 70 T CA -0.055 62.045 62.100 0.001 0.000 0.913 70 T CB 0.650 69.519 68.868 0.001 0.000 1.046 70 T HN 0.237 nan 8.240 nan 0.000 0.553 71 G N 1.787 110.598 108.800 0.017 0.000 2.569 71 G HA2 0.453 4.413 3.960 0.000 0.000 0.249 71 G HA3 0.453 4.413 3.960 0.000 0.000 0.249 71 G C 0.195 175.130 174.900 0.058 0.000 1.216 71 G CA -0.335 44.793 45.100 0.047 0.000 0.845 71 G HN 0.547 nan 8.290 nan 0.000 0.568 72 S N 0.052 115.803 115.700 0.086 0.000 2.641 72 S HA 0.219 4.689 4.470 0.000 0.000 0.261 72 S C 1.097 175.764 174.600 0.112 0.000 1.257 72 S CA -0.420 57.835 58.200 0.091 0.000 0.983 72 S CB 1.476 64.739 63.200 0.105 0.000 0.990 72 S HN 0.622 nan 8.310 nan 0.000 0.572 73 E N 0.607 120.871 120.200 0.105 0.000 2.204 73 E HA -0.171 4.179 4.350 0.000 0.000 0.194 73 E C 1.934 178.637 176.600 0.172 0.000 0.989 73 E CA 1.031 57.496 56.400 0.108 0.000 0.824 73 E CB -0.275 29.469 29.700 0.074 0.000 0.756 73 E HN 0.884 nan 8.360 nan 0.000 0.477 74 E N 0.389 120.729 120.200 0.233 0.000 2.077 74 E HA -0.213 4.137 4.350 0.000 0.000 0.193 74 E C 2.258 179.108 176.600 0.415 0.000 0.989 74 E CA 1.017 57.650 56.400 0.389 0.000 0.800 74 E CB -0.140 29.796 29.700 0.392 0.000 0.746 74 E HN 0.175 nan 8.360 nan 0.000 0.452 75 L N 1.259 122.675 121.223 0.322 0.000 2.072 75 L HA -0.064 4.276 4.340 0.000 0.000 0.205 75 L C 2.438 179.456 176.870 0.246 0.000 1.079 75 L CA 1.450 56.464 54.840 0.290 0.000 0.752 75 L CB -0.244 41.985 42.059 0.283 0.000 0.906 75 L HN 0.005 nan 8.230 nan 0.000 0.436 76 R N -0.573 120.043 120.500 0.194 0.000 2.120 76 R HA -0.115 4.225 4.340 0.000 0.000 0.234 76 R C 2.326 178.752 176.300 0.211 0.000 1.123 76 R CA 1.497 57.688 56.100 0.152 0.000 0.975 76 R CB -0.594 29.762 30.300 0.092 0.000 0.866 76 R HN 0.654 nan 8.270 nan 0.000 0.446 77 S N 0.351 116.198 115.700 0.245 0.000 2.458 77 S HA -0.034 4.436 4.470 0.000 0.000 0.223 77 S C 1.923 176.768 174.600 0.409 0.000 1.019 77 S CA 0.151 58.490 58.200 0.232 0.000 0.937 77 S CB -0.027 63.216 63.200 0.072 0.000 0.788 77 S HN 0.151 nan 8.310 nan 0.000 0.511 78 L N 0.693 122.221 121.223 0.508 0.000 2.044 78 L HA 0.161 4.501 4.340 0.000 0.000 0.205 78 L C 2.264 179.293 176.870 0.265 0.000 1.075 78 L CA 1.716 56.792 54.840 0.393 0.000 0.747 78 L CB -1.153 40.921 42.059 0.024 0.000 0.903 78 L HN 0.385 nan 8.230 nan 0.000 0.435 79 Y N 0.288 120.659 120.300 0.119 0.000 2.274 79 Y HA -0.257 4.293 4.550 -0.000 0.000 0.290 79 Y C 2.311 178.268 175.900 0.095 0.000 1.145 79 Y CA 1.936 60.085 58.100 0.082 0.000 1.203 79 Y CB -0.127 38.373 38.460 0.068 0.000 0.984 79 Y HN 0.383 nan 8.280 nan 0.000 0.533 80 N N -0.998 117.898 118.700 0.326 0.000 2.171 80 N HA -0.122 4.618 4.740 0.000 0.000 0.184 80 N C 1.782 177.393 175.510 0.168 0.000 1.021 80 N CA 1.887 55.081 53.050 0.240 0.000 0.854 80 N CB -0.882 37.740 38.487 0.224 0.000 0.994 80 N HN 0.288 nan 8.380 nan 0.000 0.426 81 T N 1.940 116.631 114.554 0.228 0.000 2.684 81 T HA -0.049 4.301 4.350 0.000 0.000 0.267 81 T C 2.074 176.850 174.700 0.126 0.000 1.036 81 T CA 0.965 63.201 62.100 0.226 0.000 1.148 81 T CB -0.319 68.796 68.868 0.412 0.000 0.863 81 T HN 0.187 nan 8.240 nan 0.000 0.436 82 I N 1.397 122.011 120.570 0.073 0.000 2.394 82 I HA -0.136 4.034 4.170 0.000 0.000 0.251 82 I C 2.905 178.980 176.117 -0.071 0.000 1.136 82 I CA 0.856 62.141 61.300 -0.025 0.000 1.425 82 I CB -0.535 37.405 38.000 -0.100 0.000 1.079 82 I HN 0.191 nan 8.210 nan 0.000 0.425 83 A N 0.746 123.501 122.820 -0.110 0.000 1.883 83 A HA -0.166 4.154 4.320 0.000 0.000 0.217 83 A C 2.454 180.065 177.584 0.045 0.000 1.186 83 A CA 2.001 53.998 52.037 -0.066 0.000 0.624 83 A CB -1.020 17.979 19.000 -0.002 0.000 0.822 83 A HN 0.228 nan 8.150 nan 0.000 0.444 84 V N -0.397 119.524 119.914 0.011 0.000 2.295 84 V HA -0.223 3.897 4.120 0.000 0.000 0.246 84 V C 2.474 178.588 176.094 0.033 0.000 1.049 84 V CA 1.832 64.121 62.300 -0.020 0.000 1.024 84 V CB -0.818 30.845 31.823 -0.268 0.000 0.648 84 V HN 0.491 nan 8.190 nan 0.000 0.447 85 L N -0.851 120.390 121.223 0.031 0.000 2.079 85 L HA -0.181 4.159 4.340 0.000 0.000 0.210 85 L C 2.248 179.080 176.870 -0.063 0.000 1.081 85 L CA 1.970 56.743 54.840 -0.112 0.000 0.752 85 L CB -1.126 40.857 42.059 -0.127 0.000 0.896 85 L HN 0.531 nan 8.230 nan 0.000 0.433 86 Y N -0.831 119.439 120.300 -0.051 0.000 2.109 86 Y HA -0.291 4.259 4.550 0.000 0.000 0.285 86 Y C 2.729 178.632 175.900 0.005 0.000 1.131 86 Y CA 1.825 59.934 58.100 0.014 0.000 1.121 86 Y CB -0.849 37.600 38.460 -0.018 0.000 0.987 86 Y HN 0.192 nan 8.280 nan 0.000 0.495 87 C N -0.354 118.953 119.300 0.013 0.000 2.363 87 C HA -0.275 4.185 4.460 0.000 0.000 0.274 87 C C 2.802 177.707 174.990 -0.142 0.000 1.183 87 C CA 1.442 60.401 59.018 -0.098 0.000 1.771 87 C CB -1.493 26.264 27.740 0.027 0.000 2.059 87 C HN 0.562 nan 8.230 nan 0.000 0.455 88 V N 0.045 119.890 119.914 -0.114 0.000 2.252 88 V HA -0.275 3.845 4.120 0.000 0.000 0.249 88 V C 2.437 178.427 176.094 -0.173 0.000 1.056 88 V CA 2.308 64.522 62.300 -0.143 0.000 1.022 88 V CB -0.935 30.782 31.823 -0.176 0.000 0.641 88 V HN 0.598 nan 8.190 nan 0.000 0.445 89 H N -0.544 118.439 119.070 -0.145 0.000 2.489 89 H HA -0.071 4.485 4.556 0.000 0.000 0.293 89 H C 2.238 177.442 175.328 -0.208 0.000 1.066 89 H CA 1.130 57.084 56.048 -0.157 0.000 1.305 89 H CB 0.029 29.707 29.762 -0.140 0.000 1.386 89 H HN 0.412 nan 8.280 nan 0.000 0.551 90 Q N 0.438 120.117 119.800 -0.202 0.000 2.360 90 Q HA 0.040 4.380 4.340 0.000 0.000 0.202 90 Q C 0.221 176.134 176.000 -0.145 0.000 0.915 90 Q CA -0.035 55.610 55.803 -0.263 0.000 0.943 90 Q CB 0.214 28.645 28.738 -0.513 0.000 1.064 90 Q HN 0.425 nan 8.270 nan 0.000 0.511 91 R N 0.151 120.591 120.500 -0.101 0.000 3.322 91 R HA -0.181 4.159 4.340 0.000 0.000 0.253 91 R C -0.471 175.792 176.300 -0.061 0.000 0.987 91 R CA 0.466 56.528 56.100 -0.064 0.000 0.666 91 R CB -2.641 27.634 30.300 -0.043 0.000 1.072 91 R HN 0.187 nan 8.270 nan 0.000 0.447 92 I N 0.315 120.839 120.570 -0.076 0.000 2.342 92 I HA 0.097 4.267 4.170 0.000 0.000 0.291 92 I C 0.625 176.729 176.117 -0.022 0.000 1.010 92 I CA -0.535 60.737 61.300 -0.045 0.000 1.308 92 I CB 1.129 39.102 38.000 -0.045 0.000 1.400 92 I HN 0.020 nan 8.210 nan 0.000 0.488 93 D N 7.047 127.442 120.400 -0.009 0.000 2.563 93 D HA 0.218 4.858 4.640 0.000 0.000 0.222 93 D C -0.424 175.880 176.300 0.005 0.000 1.145 93 D CA -0.263 53.736 54.000 -0.002 0.000 1.001 93 D CB 0.300 41.100 40.800 -0.001 0.000 1.049 93 D HN 0.277 nan 8.370 nan 0.000 0.515 94 V N 0.865 120.784 119.914 0.008 0.000 2.439 94 V HA 0.397 4.517 4.120 0.000 0.000 0.282 94 V C 1.244 177.345 176.094 0.012 0.000 1.039 94 V CA -0.608 61.701 62.300 0.015 0.000 0.913 94 V CB 1.896 33.733 31.823 0.024 0.000 0.983 94 V HN 0.164 nan 8.190 nan 0.000 0.460 95 K N 2.142 122.549 120.400 0.012 0.000 2.116 95 K HA 0.069 4.389 4.320 0.000 0.000 0.203 95 K C 0.127 176.732 176.600 0.010 0.000 1.052 95 K CA 1.634 57.926 56.287 0.007 0.000 0.952 95 K CB 0.152 32.654 32.500 0.003 0.000 0.729 95 K HN 1.057 nan 8.250 nan 0.000 0.446 96 D N -2.768 117.643 120.400 0.019 0.000 2.781 96 D HA 0.113 4.753 4.640 0.000 0.000 0.295 96 D C 0.400 176.737 176.300 0.061 0.000 1.143 96 D CA -0.681 53.339 54.000 0.033 0.000 1.076 96 D CB 0.416 41.223 40.800 0.011 0.000 1.444 96 D HN -0.327 nan 8.370 nan 0.000 0.567 97 T N -1.182 113.426 114.554 0.090 0.000 2.962 97 T HA -0.113 4.237 4.350 0.000 0.000 0.270 97 T C 1.438 176.183 174.700 0.075 0.000 1.088 97 T CA 0.972 63.136 62.100 0.107 0.000 1.127 97 T CB -0.142 68.808 68.868 0.136 0.000 0.883 97 T HN 0.316 nan 8.240 nan 0.000 0.493 98 K N 1.084 121.515 120.400 0.052 0.000 2.031 98 K HA -0.079 4.242 4.320 0.000 0.000 0.205 98 K C 2.211 178.840 176.600 0.049 0.000 1.049 98 K CA 1.048 57.363 56.287 0.046 0.000 0.939 98 K CB 0.024 32.541 32.500 0.028 0.000 0.717 98 K HN 0.384 nan 8.250 nan 0.000 0.438 99 E N 0.312 120.538 120.200 0.043 0.000 2.077 99 E HA -0.182 4.168 4.350 0.000 0.000 0.193 99 E C 2.009 178.642 176.600 0.056 0.000 0.989 99 E CA 0.949 57.374 56.400 0.042 0.000 0.800 99 E CB -0.134 29.585 29.700 0.032 0.000 0.746 99 E HN 0.345 nan 8.360 nan 0.000 0.452 100 A N 1.599 124.456 122.820 0.060 0.000 1.903 100 A HA -0.211 4.109 4.320 0.000 0.000 0.219 100 A C 2.264 179.905 177.584 0.094 0.000 1.191 100 A CA 1.504 53.587 52.037 0.076 0.000 0.638 100 A CB -0.744 18.293 19.000 0.062 0.000 0.823 100 A HN 0.155 nan 8.150 nan 0.000 0.451 101 L N -0.813 120.468 121.223 0.097 0.000 2.209 101 L HA -0.074 4.266 4.340 0.000 0.000 0.207 101 L C 1.768 178.697 176.870 0.098 0.000 1.094 101 L CA 0.894 55.806 54.840 0.120 0.000 0.790 101 L CB -0.448 41.691 42.059 0.133 0.000 0.932 101 L HN 0.298 nan 8.230 nan 0.000 0.447 102 D N 0.099 120.544 120.400 0.075 0.000 2.178 102 D HA -0.158 4.482 4.640 0.000 0.000 0.202 102 D C 2.010 178.350 176.300 0.066 0.000 0.974 102 D CA 0.848 54.884 54.000 0.061 0.000 0.841 102 D CB 0.105 40.934 40.800 0.048 0.000 0.953 102 D HN 0.053 nan 8.370 nan 0.000 0.478 103 K N 1.094 121.541 120.400 0.079 0.000 1.985 103 K HA -0.084 4.236 4.320 0.000 0.000 0.210 103 K C 1.974 178.636 176.600 0.103 0.000 1.047 103 K CA 0.498 56.844 56.287 0.099 0.000 0.932 103 K CB -0.603 31.972 32.500 0.124 0.000 0.716 103 K HN -0.038 nan 8.250 nan 0.000 0.439 104 I N 1.456 122.080 120.570 0.089 0.000 2.229 104 I HA -0.286 3.884 4.170 0.000 0.000 0.250 104 I C 2.102 178.244 176.117 0.043 0.000 1.096 104 I CA 1.596 62.907 61.300 0.019 0.000 1.358 104 I CB -1.144 36.869 38.000 0.022 0.000 1.047 104 I HN 0.363 nan 8.210 nan 0.000 0.422 105 E N 0.052 120.292 120.200 0.067 0.000 2.152 105 E HA -0.210 4.140 4.350 0.000 0.000 0.192 105 E C 2.178 178.804 176.600 0.043 0.000 0.983 105 E CA 0.804 57.237 56.400 0.056 0.000 0.818 105 E CB 0.050 29.782 29.700 0.053 0.000 0.758 105 E HN 0.518 nan 8.360 nan 0.000 0.467 106 E N 0.579 120.809 120.200 0.049 0.000 2.047 106 E HA -0.215 4.135 4.350 0.000 0.000 0.191 106 E C 1.750 178.375 176.600 0.042 0.000 0.987 106 E CA 1.187 57.614 56.400 0.045 0.000 0.799 106 E CB 0.148 29.878 29.700 0.051 0.000 0.752 106 E HN 0.223 nan 8.360 nan 0.000 0.449 107 E N 0.555 120.784 120.200 0.050 0.000 2.072 107 E HA -0.217 4.133 4.350 0.000 0.000 0.191 107 E C 2.151 178.763 176.600 0.020 0.000 0.985 107 E CA 0.885 57.311 56.400 0.044 0.000 0.801 107 E CB -0.360 29.376 29.700 0.061 0.000 0.750 107 E HN 0.438 nan 8.360 nan 0.000 0.452 108 Q N 0.290 120.095 119.800 0.010 0.000 2.291 108 Q HA -0.070 4.270 4.340 0.000 0.000 0.206 108 Q C 1.667 177.676 176.000 0.015 0.000 0.976 108 Q CA 0.811 56.618 55.803 0.008 0.000 0.875 108 Q CB 0.068 28.817 28.738 0.017 0.000 0.927 108 Q HN 0.263 nan 8.270 nan 0.000 0.450 109 N N 0.010 118.722 118.700 0.020 0.000 2.409 109 N HA -0.072 4.668 4.740 0.000 0.000 0.174 109 N C 1.393 176.913 175.510 0.018 0.000 1.037 109 N CA 0.364 53.425 53.050 0.018 0.000 0.898 109 N CB 0.007 38.505 38.487 0.019 0.000 1.010 109 N HN 0.148 nan 8.380 nan 0.000 0.445 110 K N 1.746 122.159 120.400 0.021 0.000 2.020 110 K HA -0.098 4.222 4.320 0.000 0.000 0.212 110 K C 1.623 178.233 176.600 0.018 0.000 1.050 110 K CA 1.699 57.998 56.287 0.021 0.000 0.929 110 K CB 0.020 32.536 32.500 0.027 0.000 0.714 110 K HN 0.098 nan 8.250 nan 0.000 0.443 111 S N 0.670 116.380 115.700 0.017 0.000 2.436 111 S HA -0.049 4.421 4.470 0.000 0.000 0.228 111 S C 1.852 176.459 174.600 0.011 0.000 1.014 111 S CA 0.954 59.162 58.200 0.014 0.000 0.950 111 S CB -0.057 63.150 63.200 0.012 0.000 0.784 111 S HN 0.294 nan 8.310 nan 0.000 0.504 112 K N 1.587 121.994 120.400 0.011 0.000 2.057 112 K HA -0.009 4.311 4.320 0.000 0.000 0.207 112 K C 1.994 178.600 176.600 0.010 0.000 1.049 112 K CA 1.012 57.305 56.287 0.010 0.000 0.931 112 K CB 0.053 32.559 32.500 0.011 0.000 0.714 112 K HN -0.008 nan 8.250 nan 0.000 0.440 113 K N 0.591 120.997 120.400 0.011 0.000 2.031 113 K HA -0.084 4.236 4.320 0.000 0.000 0.205 113 K C 2.430 179.036 176.600 0.009 0.000 1.049 113 K CA 1.741 58.034 56.287 0.010 0.000 0.939 113 K CB -0.608 31.898 32.500 0.011 0.000 0.717 113 K HN 0.195 nan 8.250 nan 0.000 0.438 114 K N 1.402 121.809 120.400 0.010 0.000 1.975 114 K HA -0.081 4.239 4.320 0.000 0.000 0.225 114 K C 1.955 178.560 176.600 0.008 0.000 1.050 114 K CA 2.105 58.398 56.287 0.010 0.000 0.992 114 K CB -1.478 31.029 32.500 0.011 0.000 0.738 114 K HN 0.301 nan 8.250 nan 0.000 0.446 115 A N 0.014 122.839 122.820 0.008 0.000 2.233 115 A HA 0.152 4.472 4.320 0.000 0.000 0.230 115 A C 1.555 179.142 177.584 0.006 0.000 1.347 115 A CA 0.824 52.865 52.037 0.007 0.000 1.087 115 A CB -0.089 18.915 19.000 0.007 0.000 0.871 115 A HN 0.563 nan 8.150 nan 0.000 0.519 116 Q N -3.039 116.765 119.800 0.006 0.000 2.330 116 Q HA 0.103 4.443 4.340 0.000 0.000 0.254 116 Q C 1.860 177.863 176.000 0.005 0.000 0.777 116 Q CA 1.252 57.058 55.803 0.006 0.000 0.972 116 Q CB 0.399 29.140 28.738 0.006 0.000 1.236 116 Q HN 0.769 nan 8.270 nan 0.000 0.508 117 Q N -0.601 119.203 119.800 0.006 0.000 2.211 117 Q HA 0.563 4.903 4.340 0.000 0.000 0.242 117 Q C 1.439 177.442 176.000 0.006 0.000 0.825 117 Q CA 0.879 56.685 55.803 0.006 0.000 0.951 117 Q CB 0.562 29.304 28.738 0.006 0.000 1.130 117 Q HN 0.265 nan 8.270 nan 0.000 0.496 118 A N 0.598 123.422 122.820 0.006 0.000 1.919 118 A HA 0.783 5.103 4.320 0.000 0.000 0.211 118 A C 1.713 179.300 177.584 0.005 0.000 1.310 118 A CA 1.031 53.072 52.037 0.006 0.000 0.651 118 A CB -0.580 18.424 19.000 0.007 0.000 0.996 118 A HN 1.024 nan 8.150 nan 0.000 0.479 119 A N 0.000 122.823 122.820 0.005 0.000 2.254 119 A HA 0.000 4.320 4.320 0.000 0.000 0.244 119 A CA 0.000 52.040 52.037 0.005 0.000 0.836 119 A CB 0.000 19.003 19.000 0.005 0.000 0.831 119 A HN 0.000 nan 8.150 nan 0.000 0.486