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 1y1v_1_K DATA FIRST_RESID 1 DATA SEQUENCE MNAPDRFELF LLGEGESKLK IDPDTKAPNA VVITFEKEDH TLGNLIRAEL DATA SEQUENCE LNDRKVLFAA YKVEHPFFAR FKLRIQTTEG YDPKDALKNA CNSIINKLGA DATA SEQUENCE LKTNFETEWN LQTL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.279 176.300 -0.035 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 N N 1.960 120.636 118.700 -0.040 0.000 2.550 2 N HA 0.130 4.870 4.740 0.000 0.000 0.186 2 N C 0.189 175.650 175.510 -0.083 0.000 1.110 2 N CA 0.888 53.905 53.050 -0.054 0.000 0.912 2 N CB -0.106 38.352 38.487 -0.048 0.000 0.968 2 N HN 0.474 nan 8.380 nan 0.000 0.448 3 A N 3.271 126.043 122.820 -0.081 0.000 2.553 3 A HA 0.073 4.393 4.320 0.000 0.000 0.258 3 A C -1.548 175.968 177.584 -0.114 0.000 1.069 3 A CA -0.689 51.288 52.037 -0.099 0.000 0.767 3 A CB -0.282 18.676 19.000 -0.071 0.000 0.997 3 A HN 0.129 nan 8.150 nan 0.000 0.512 4 P HA 0.151 nan 4.420 nan 0.000 0.274 4 P C -0.737 176.435 177.300 -0.215 0.000 1.237 4 P CA -0.466 62.527 63.100 -0.178 0.000 0.793 4 P CB 0.649 32.240 31.700 -0.182 0.000 0.977 5 D N 2.373 122.572 120.400 -0.334 0.000 2.417 5 D HA 0.002 4.643 4.640 0.000 0.000 0.250 5 D C 1.655 177.655 176.300 -0.499 0.000 1.166 5 D CA -0.167 53.563 54.000 -0.450 0.000 0.881 5 D CB 0.790 41.150 40.800 -0.733 0.000 1.164 5 D HN 0.216 nan 8.370 nan 0.000 0.467 6 R N 2.227 122.602 120.500 -0.208 0.000 2.153 6 R HA -0.208 4.132 4.340 0.000 0.000 0.252 6 R C 1.944 178.290 176.300 0.077 0.000 1.158 6 R CA 1.139 57.222 56.100 -0.028 0.000 0.975 6 R CB -0.768 29.585 30.300 0.088 0.000 0.871 6 R HN 0.608 nan 8.270 nan 0.000 0.450 7 F N 0.683 120.697 119.950 0.106 0.000 2.722 7 F HA 0.066 4.593 4.527 0.000 0.000 0.298 7 F C 0.935 176.601 175.800 -0.222 0.000 1.175 7 F CA 0.292 58.257 58.000 -0.059 0.000 1.462 7 F CB -0.621 38.247 39.000 -0.219 0.000 1.111 7 F HN -0.046 nan 8.300 nan 0.000 0.592 8 E N 0.813 120.838 120.200 -0.292 0.000 2.463 8 E HA 0.088 4.438 4.350 0.000 0.000 0.191 8 E C 1.492 178.108 176.600 0.027 0.000 1.083 8 E CA 0.044 56.356 56.400 -0.146 0.000 0.872 8 E CB -0.175 29.364 29.700 -0.267 0.000 0.966 8 E HN 0.568 nan 8.360 nan 0.000 0.491 9 L N -0.521 120.821 121.223 0.198 0.000 2.585 9 L HA 0.138 4.478 4.340 0.000 0.000 0.226 9 L C 1.292 178.443 176.870 0.468 0.000 1.113 9 L CA 0.387 55.417 54.840 0.318 0.000 0.876 9 L CB 0.085 42.340 42.059 0.326 0.000 1.072 9 L HN 0.254 nan 8.230 nan 0.000 0.468 10 F N -4.319 115.689 119.950 0.096 0.000 3.020 10 F HA 0.328 4.855 4.527 0.000 0.000 0.392 10 F C 0.060 175.914 175.800 0.090 0.000 1.018 10 F CA -0.611 57.443 58.000 0.089 0.000 1.045 10 F CB 0.493 39.543 39.000 0.083 0.000 1.261 10 F HN -0.339 nan 8.300 nan 0.000 0.549 11 L N 4.308 125.345 121.223 -0.309 0.000 2.264 11 L HA 0.447 4.787 4.340 0.000 0.000 0.287 11 L C -0.354 176.483 176.870 -0.056 0.000 1.039 11 L CA -0.563 54.141 54.840 -0.226 0.000 0.829 11 L CB 1.131 43.011 42.059 -0.299 0.000 1.211 11 L HN 0.139 nan 8.230 nan 0.000 0.427 12 L N 3.027 124.226 121.223 -0.040 0.000 2.483 12 L HA 0.331 4.671 4.340 0.000 0.000 0.276 12 L C 1.267 178.123 176.870 -0.023 0.000 1.213 12 L CA 0.466 55.291 54.840 -0.024 0.000 0.843 12 L CB 0.176 42.219 42.059 -0.026 0.000 1.107 12 L HN 0.623 nan 8.230 nan 0.000 0.487 13 G N 1.035 109.825 108.800 -0.017 0.000 2.714 13 G HA2 0.282 4.242 3.960 0.000 0.000 0.197 13 G HA3 0.282 4.242 3.960 0.000 0.000 0.197 13 G C -0.554 174.331 174.900 -0.025 0.000 1.449 13 G CA -0.582 44.511 45.100 -0.012 0.000 1.065 13 G HN 0.613 nan 8.290 nan 0.000 0.575 14 E N 0.404 120.590 120.200 -0.023 0.000 2.166 14 E HA 0.413 4.763 4.350 0.000 0.000 0.279 14 E C 0.423 177.006 176.600 -0.028 0.000 1.095 14 E CA 0.565 56.949 56.400 -0.026 0.000 0.888 14 E CB 0.570 30.256 29.700 -0.023 0.000 1.041 14 E HN 0.893 nan 8.360 nan 0.000 0.414 15 G N 4.147 112.930 108.800 -0.029 0.000 2.462 15 G HA2 -0.289 3.671 3.960 0.000 0.000 0.283 15 G HA3 -0.289 3.671 3.960 0.000 0.000 0.283 15 G C -0.404 174.476 174.900 -0.033 0.000 1.043 15 G CA -0.054 45.028 45.100 -0.030 0.000 1.300 15 G HN 0.604 nan 8.290 nan 0.000 0.518 16 E N 0.259 120.437 120.200 -0.036 0.000 2.466 16 E HA 0.279 4.629 4.350 0.000 0.000 0.308 16 E C -0.388 176.183 176.600 -0.047 0.000 0.933 16 E CA -0.611 55.764 56.400 -0.041 0.000 0.800 16 E CB 1.148 30.825 29.700 -0.039 0.000 1.434 16 E HN 0.257 nan 8.360 nan 0.000 0.389 17 S N 2.418 118.084 115.700 -0.056 0.000 2.548 17 S HA 0.079 4.549 4.470 0.000 0.000 0.277 17 S C 1.355 175.899 174.600 -0.094 0.000 1.315 17 S CA -0.623 57.534 58.200 -0.071 0.000 1.050 17 S CB 0.948 64.101 63.200 -0.077 0.000 0.918 17 S HN 0.384 nan 8.310 nan 0.000 0.497 18 K N 1.276 121.617 120.400 -0.098 0.000 2.127 18 K HA -0.056 4.265 4.320 0.000 0.000 0.208 18 K C 0.435 176.896 176.600 -0.232 0.000 1.047 18 K CA 1.302 57.516 56.287 -0.122 0.000 0.927 18 K CB -0.260 32.177 32.500 -0.104 0.000 0.716 18 K HN 0.536 nan 8.250 nan 0.000 0.450 19 L N 0.046 121.120 121.223 -0.249 0.000 2.333 19 L HA 0.414 4.754 4.340 0.000 0.000 0.269 19 L C -0.213 176.537 176.870 -0.201 0.000 1.010 19 L CA -0.794 53.842 54.840 -0.340 0.000 0.818 19 L CB 1.913 43.735 42.059 -0.395 0.000 1.306 19 L HN -0.175 nan 8.230 nan 0.000 0.430 20 K N 2.646 122.938 120.400 -0.180 0.000 2.588 20 K HA 0.525 4.845 4.320 0.000 0.000 0.250 20 K C -1.820 174.738 176.600 -0.070 0.000 0.972 20 K CA -0.391 55.839 56.287 -0.095 0.000 0.821 20 K CB 1.891 34.354 32.500 -0.063 0.000 1.249 20 K HN 0.513 nan 8.250 nan 0.000 0.442 21 I N 3.448 123.988 120.570 -0.049 0.000 2.378 21 I HA 0.316 4.486 4.170 0.000 0.000 0.291 21 I C -0.671 175.446 176.117 0.000 0.000 0.992 21 I CA -0.664 60.624 61.300 -0.021 0.000 1.154 21 I CB 1.664 39.648 38.000 -0.027 0.000 1.315 21 I HN 0.486 nan 8.210 nan 0.000 0.448 22 D N 7.787 128.199 120.400 0.020 0.000 2.481 22 D HA 0.370 5.010 4.640 0.000 0.000 0.244 22 D C -2.573 173.747 176.300 0.033 0.000 1.057 22 D CA -1.133 52.882 54.000 0.025 0.000 0.848 22 D CB 2.654 43.473 40.800 0.031 0.000 1.388 22 D HN 0.202 nan 8.370 nan 0.000 0.475 23 P HA 0.107 nan 4.420 nan 0.000 0.286 23 P C -0.581 176.739 177.300 0.034 0.000 1.269 23 P CA -0.319 62.799 63.100 0.030 0.000 0.787 23 P CB 1.453 33.166 31.700 0.022 0.000 0.920 24 D N 2.684 123.109 120.400 0.041 0.000 2.280 24 D HA 0.086 4.726 4.640 0.000 0.000 0.243 24 D C 0.840 177.156 176.300 0.027 0.000 1.129 24 D CA -0.073 53.952 54.000 0.041 0.000 0.848 24 D CB 1.083 41.917 40.800 0.058 0.000 1.107 24 D HN 0.245 nan 8.370 nan 0.000 0.471 25 T N 2.409 116.975 114.554 0.020 0.000 3.043 25 T HA -0.059 4.291 4.350 0.000 0.000 0.263 25 T C 1.732 176.436 174.700 0.006 0.000 1.094 25 T CA 0.219 62.327 62.100 0.012 0.000 1.127 25 T CB 0.345 69.219 68.868 0.011 0.000 0.905 25 T HN 0.314 nan 8.240 nan 0.000 0.490 26 K N 2.250 122.652 120.400 0.002 0.000 2.020 26 K HA 0.065 4.385 4.320 0.000 0.000 0.212 26 K C 1.265 177.856 176.600 -0.016 0.000 1.050 26 K CA 1.344 57.625 56.287 -0.011 0.000 0.929 26 K CB -0.563 31.925 32.500 -0.020 0.000 0.714 26 K HN 0.536 nan 8.250 nan 0.000 0.443 27 A N 1.674 124.486 122.820 -0.013 0.000 2.387 27 A HA 0.551 4.871 4.320 0.000 0.000 0.303 27 A C -2.533 175.053 177.584 0.004 0.000 1.145 27 A CA -1.504 50.525 52.037 -0.013 0.000 0.801 27 A CB 1.329 20.311 19.000 -0.030 0.000 1.342 27 A HN -0.024 nan 8.150 nan 0.000 0.440 28 P HA 0.203 nan 4.420 nan 0.000 0.288 28 P C -0.505 176.806 177.300 0.019 0.000 1.267 28 P CA -0.193 62.914 63.100 0.012 0.000 0.815 28 P CB 1.050 32.756 31.700 0.011 0.000 0.989 29 N N 0.724 119.437 118.700 0.021 0.000 2.726 29 N HA -0.162 4.578 4.740 0.000 0.000 0.253 29 N C -1.413 174.113 175.510 0.026 0.000 1.059 29 N CA 0.995 54.057 53.050 0.021 0.000 0.701 29 N CB -1.329 37.169 38.487 0.020 0.000 0.899 29 N HN 0.731 nan 8.380 nan 0.000 0.548 30 A N -0.223 122.619 122.820 0.036 0.000 2.594 30 A HA 0.806 5.126 4.320 0.000 0.000 0.295 30 A C -0.778 176.843 177.584 0.061 0.000 1.071 30 A CA -0.310 51.763 52.037 0.060 0.000 0.685 30 A CB 2.296 21.348 19.000 0.086 0.000 1.285 30 A HN 0.238 nan 8.150 nan 0.000 0.405 31 V N 0.162 120.123 119.914 0.077 0.000 3.114 31 V HA 0.616 4.736 4.120 0.000 0.000 0.308 31 V C -0.910 175.246 176.094 0.103 0.000 1.168 31 V CA -0.598 61.747 62.300 0.074 0.000 1.015 31 V CB 2.320 34.175 31.823 0.053 0.000 1.050 31 V HN 0.856 nan 8.190 nan 0.000 0.433 32 V N 3.952 123.925 119.914 0.098 0.000 2.305 32 V HA 0.483 4.603 4.120 0.000 0.000 0.275 32 V C -0.313 175.854 176.094 0.121 0.000 1.020 32 V CA -0.235 62.139 62.300 0.122 0.000 0.811 32 V CB 0.925 32.812 31.823 0.108 0.000 1.031 32 V HN 0.635 nan 8.190 nan 0.000 0.439 33 I N 3.096 123.774 120.570 0.179 0.000 2.342 33 I HA 0.321 4.491 4.170 0.000 0.000 0.291 33 I C 0.526 176.791 176.117 0.247 0.000 1.010 33 I CA 0.114 61.517 61.300 0.172 0.000 1.308 33 I CB 1.380 39.535 38.000 0.258 0.000 1.400 33 I HN 0.414 nan 8.210 nan 0.000 0.488 34 T N 6.792 121.401 114.554 0.091 0.000 3.016 34 T HA 0.334 4.684 4.350 0.000 0.000 0.335 34 T C -0.159 174.531 174.700 -0.018 0.000 1.176 34 T CA -0.344 61.802 62.100 0.076 0.000 0.987 34 T CB -0.490 68.394 68.868 0.028 0.000 1.073 34 T HN 0.124 nan 8.240 nan 0.000 0.547 35 F N 3.561 123.222 119.950 -0.481 0.000 2.556 35 F HA 0.177 4.705 4.527 0.000 0.000 0.344 35 F C 1.335 176.883 175.800 -0.419 0.000 1.255 35 F CA -0.948 56.714 58.000 -0.565 0.000 1.091 35 F CB -0.347 38.023 39.000 -1.051 0.000 1.325 35 F HN 0.357 nan 8.300 nan 0.000 0.627 36 E N 3.011 123.159 120.200 -0.087 0.000 2.455 36 E HA -0.071 4.279 4.350 0.000 0.000 0.259 36 E C 0.723 177.330 176.600 0.013 0.000 1.245 36 E CA -0.071 56.309 56.400 -0.034 0.000 1.013 36 E CB 0.328 30.006 29.700 -0.036 0.000 0.978 36 E HN 0.256 nan 8.360 nan 0.000 0.479 37 K N 0.967 121.396 120.400 0.048 0.000 3.421 37 K HA -0.221 4.099 4.320 0.000 0.000 0.268 37 K C 0.008 176.696 176.600 0.147 0.000 0.840 37 K CA 1.113 57.461 56.287 0.102 0.000 0.627 37 K CB -0.988 31.566 32.500 0.091 0.000 1.561 37 K HN 0.341 nan 8.250 nan 0.000 0.458 38 E N 0.235 120.526 120.200 0.152 0.000 2.440 38 E HA 0.493 4.843 4.350 0.000 0.000 0.263 38 E C 0.211 176.995 176.600 0.307 0.000 0.938 38 E CA -0.496 56.040 56.400 0.227 0.000 0.831 38 E CB 1.693 31.532 29.700 0.231 0.000 1.456 38 E HN 0.272 nan 8.360 nan 0.000 0.427 39 D N -1.923 118.689 120.400 0.353 0.000 3.145 39 D HA 0.092 4.732 4.640 0.000 0.000 0.345 39 D C 0.862 177.148 176.300 -0.023 0.000 1.391 39 D CA -0.322 53.787 54.000 0.182 0.000 0.930 39 D CB -0.046 40.825 40.800 0.118 0.000 1.451 39 D HN 0.321 nan 8.370 nan 0.000 0.555 40 H N 0.067 119.168 119.070 0.052 0.000 2.319 40 H HA -0.081 4.475 4.556 0.000 0.000 0.297 40 H C 1.554 176.807 175.328 -0.126 0.000 1.097 40 H CA 2.462 58.481 56.048 -0.048 0.000 1.285 40 H CB -0.645 29.140 29.762 0.040 0.000 1.368 40 H HN 0.496 nan 8.280 nan 0.000 0.495 41 T N 1.350 115.949 114.554 0.076 0.000 2.701 41 T HA -0.226 4.124 4.350 0.000 0.000 0.265 41 T C 2.212 176.892 174.700 -0.034 0.000 1.032 41 T CA 1.937 64.049 62.100 0.021 0.000 1.158 41 T CB -0.407 68.484 68.868 0.038 0.000 0.854 41 T HN 0.160 nan 8.240 nan 0.000 0.463 42 L N -0.194 121.007 121.223 -0.037 0.000 2.296 42 L HA 0.399 4.739 4.340 0.000 0.000 0.193 42 L C 2.665 179.372 176.870 -0.272 0.000 1.123 42 L CA 1.403 56.212 54.840 -0.052 0.000 0.805 42 L CB -1.171 40.959 42.059 0.119 0.000 1.004 42 L HN 0.253 nan 8.230 nan 0.000 0.478 43 G N 0.179 108.656 108.800 -0.539 0.000 2.802 43 G HA2 -0.530 3.431 3.960 0.000 0.000 0.222 43 G HA3 -0.530 3.431 3.960 0.000 0.000 0.222 43 G C 1.348 175.484 174.900 -1.274 0.000 1.248 43 G CA 1.568 45.870 45.100 -1.331 0.000 0.787 43 G HN 0.569 nan 8.290 nan 0.000 0.643 44 N N 0.144 117.989 118.700 -1.425 0.000 2.096 44 N HA -0.162 4.578 4.740 0.000 0.000 0.195 44 N C 2.079 177.296 175.510 -0.488 0.000 1.017 44 N CA 1.909 54.380 53.050 -0.964 0.000 0.870 44 N CB -0.365 37.887 38.487 -0.392 0.000 1.024 44 N HN 0.304 nan 8.380 nan 0.000 0.434 45 L N 0.613 121.624 121.223 -0.354 0.000 1.976 45 L HA -0.007 4.333 4.340 0.000 0.000 0.209 45 L C 2.080 178.839 176.870 -0.185 0.000 1.071 45 L CA 1.569 56.286 54.840 -0.204 0.000 0.746 45 L CB -1.023 40.955 42.059 -0.135 0.000 0.890 45 L HN 0.354 nan 8.230 nan 0.000 0.432 46 I N -0.789 119.661 120.570 -0.199 0.000 2.118 46 I HA -0.338 3.832 4.170 0.000 0.000 0.241 46 I C 2.719 178.739 176.117 -0.162 0.000 1.070 46 I CA 1.322 62.543 61.300 -0.132 0.000 1.327 46 I CB -0.579 37.357 38.000 -0.107 0.000 1.034 46 I HN 0.342 nan 8.210 nan 0.000 0.405 47 R N 1.428 121.764 120.500 -0.274 0.000 2.122 47 R HA -0.258 4.082 4.340 0.000 0.000 0.236 47 R C 2.301 178.507 176.300 -0.156 0.000 1.129 47 R CA 2.437 58.398 56.100 -0.232 0.000 0.925 47 R CB -1.030 29.078 30.300 -0.321 0.000 0.850 47 R HN 0.424 nan 8.270 nan 0.000 0.431 48 A N 1.315 124.039 122.820 -0.159 0.000 1.869 48 A HA -0.219 4.101 4.320 0.000 0.000 0.218 48 A C 2.134 179.676 177.584 -0.070 0.000 1.203 48 A CA 1.997 53.974 52.037 -0.100 0.000 0.638 48 A CB -0.732 18.210 19.000 -0.097 0.000 0.831 48 A HN 0.452 nan 8.150 nan 0.000 0.450 49 E N -0.499 119.661 120.200 -0.066 0.000 2.204 49 E HA -0.102 4.248 4.350 0.000 0.000 0.195 49 E C 1.896 178.480 176.600 -0.027 0.000 0.990 49 E CA 0.566 56.944 56.400 -0.037 0.000 0.821 49 E CB -0.296 29.387 29.700 -0.029 0.000 0.750 49 E HN 0.647 nan 8.360 nan 0.000 0.477 50 L N 0.273 121.470 121.223 -0.043 0.000 2.362 50 L HA -0.144 4.197 4.340 0.000 0.000 0.219 50 L C 1.979 178.828 176.870 -0.035 0.000 1.134 50 L CA 0.269 55.088 54.840 -0.035 0.000 0.807 50 L CB 0.058 42.082 42.059 -0.059 0.000 0.927 50 L HN 0.109 nan 8.230 nan 0.000 0.447 51 L N -0.518 120.681 121.223 -0.040 0.000 2.492 51 L HA -0.003 4.337 4.340 0.000 0.000 0.223 51 L C 1.870 178.737 176.870 -0.005 0.000 1.132 51 L CA 1.021 55.843 54.840 -0.030 0.000 0.850 51 L CB -0.553 41.484 42.059 -0.037 0.000 0.966 51 L HN 0.244 nan 8.230 nan 0.000 0.454 52 N N -0.848 117.853 118.700 0.001 0.000 2.446 52 N HA -0.081 4.659 4.740 0.000 0.000 0.179 52 N C 0.299 175.827 175.510 0.030 0.000 1.054 52 N CA 0.279 53.337 53.050 0.013 0.000 0.905 52 N CB 0.003 38.496 38.487 0.010 0.000 0.973 52 N HN 0.285 nan 8.380 nan 0.000 0.448 53 D N 1.732 122.156 120.400 0.041 0.000 2.441 53 D HA 0.026 4.666 4.640 0.000 0.000 0.243 53 D C 0.935 177.284 176.300 0.080 0.000 1.257 53 D CA -0.041 54.006 54.000 0.078 0.000 1.027 53 D CB 0.230 41.092 40.800 0.103 0.000 1.084 53 D HN 0.069 nan 8.370 nan 0.000 0.514 54 R N 1.855 122.397 120.500 0.072 0.000 2.226 54 R HA -0.141 4.199 4.340 0.000 0.000 0.246 54 R C 1.331 177.686 176.300 0.091 0.000 1.161 54 R CA 0.874 57.014 56.100 0.066 0.000 0.997 54 R CB 0.250 30.582 30.300 0.053 0.000 0.870 54 R HN 0.235 nan 8.270 nan 0.000 0.465 55 K N 0.438 120.927 120.400 0.147 0.000 2.505 55 K HA 0.084 4.404 4.320 0.000 0.000 0.192 55 K C -0.188 176.481 176.600 0.115 0.000 1.025 55 K CA 0.267 56.682 56.287 0.214 0.000 1.086 55 K CB 0.582 33.364 32.500 0.471 0.000 0.840 55 K HN -0.034 nan 8.250 nan 0.000 0.514 56 V N 2.460 122.406 119.914 0.054 0.000 2.347 56 V HA 0.163 4.283 4.120 0.000 0.000 0.280 56 V C 1.402 177.513 176.094 0.028 0.000 1.021 56 V CA -0.253 62.040 62.300 -0.011 0.000 0.847 56 V CB 1.428 33.232 31.823 -0.030 0.000 0.990 56 V HN 0.096 nan 8.190 nan 0.000 0.444 57 L N 4.320 125.570 121.223 0.045 0.000 2.270 57 L HA 0.282 4.622 4.340 0.000 0.000 0.210 57 L C 0.254 177.243 176.870 0.197 0.000 1.104 57 L CA 1.159 56.057 54.840 0.097 0.000 0.804 57 L CB 0.062 42.173 42.059 0.086 0.000 0.937 57 L HN 0.540 nan 8.230 nan 0.000 0.450 58 F N 0.404 120.348 119.950 -0.010 0.000 2.604 58 F HA 0.655 5.182 4.527 0.000 0.000 0.316 58 F C -1.360 174.443 175.800 0.006 0.000 1.136 58 F CA -1.146 56.855 58.000 0.001 0.000 0.989 58 F CB 1.449 40.451 39.000 0.004 0.000 1.258 58 F HN -0.258 nan 8.300 nan 0.000 0.451 59 A N 4.405 126.644 122.820 -0.969 0.000 2.497 59 A HA 0.916 5.236 4.320 0.000 0.000 0.280 59 A C -1.807 175.361 177.584 -0.694 0.000 1.065 59 A CA 0.126 51.725 52.037 -0.730 0.000 0.781 59 A CB 0.750 19.567 19.000 -0.304 0.000 1.289 59 A HN 1.861 nan 8.150 nan 0.000 0.415 60 A N 1.778 124.229 122.820 -0.614 0.000 2.547 60 A HA 0.835 5.155 4.320 0.000 0.000 0.297 60 A C -1.039 176.543 177.584 -0.004 0.000 1.056 60 A CA -0.409 51.492 52.037 -0.227 0.000 0.688 60 A CB 0.801 19.705 19.000 -0.160 0.000 1.282 60 A HN 2.029 nan 8.150 nan 0.000 0.400 61 Y N 0.483 120.698 120.300 -0.143 0.000 2.659 61 Y HA 0.886 5.436 4.550 0.000 0.000 0.333 61 Y C -0.540 175.313 175.900 -0.078 0.000 1.064 61 Y CA -0.952 57.074 58.100 -0.125 0.000 1.141 61 Y CB 1.835 40.100 38.460 -0.324 0.000 1.316 61 Y HN 0.818 nan 8.280 nan 0.000 0.509 62 K N 0.495 120.657 120.400 -0.396 0.000 2.584 62 K HA 0.448 4.768 4.320 0.000 0.000 0.260 62 K C -1.944 174.564 176.600 -0.153 0.000 0.949 62 K CA -0.882 55.146 56.287 -0.432 0.000 0.888 62 K CB 1.451 33.837 32.500 -0.190 0.000 1.330 62 K HN 0.836 nan 8.250 nan 0.000 0.432 63 V N 0.666 120.473 119.914 -0.178 0.000 2.364 63 V HA 0.135 4.255 4.120 0.000 0.000 0.252 63 V C 1.133 177.237 176.094 0.017 0.000 1.075 63 V CA -0.181 62.104 62.300 -0.024 0.000 1.033 63 V CB 0.525 32.302 31.823 -0.078 0.000 1.116 63 V HN 0.943 nan 8.190 nan 0.000 0.488 64 E N 2.346 122.588 120.200 0.069 0.000 2.352 64 E HA -0.204 4.146 4.350 0.000 0.000 0.203 64 E C 0.456 177.084 176.600 0.047 0.000 1.024 64 E CA 1.939 58.373 56.400 0.057 0.000 0.842 64 E CB -0.012 29.747 29.700 0.099 0.000 0.753 64 E HN 1.034 nan 8.360 nan 0.000 0.508 65 H N -2.847 116.161 119.070 -0.102 0.000 3.041 65 H HA 0.013 4.569 4.556 0.000 0.000 0.293 65 H C -2.218 173.018 175.328 -0.154 0.000 1.166 65 H CA -0.794 55.117 56.048 -0.228 0.000 1.529 65 H CB 1.465 30.952 29.762 -0.458 0.000 2.050 65 H HN -0.259 nan 8.280 nan 0.000 0.505 66 P HA -0.182 nan 4.420 nan 0.000 0.216 66 P C 1.333 178.920 177.300 0.478 0.000 1.150 66 P CA 1.341 64.565 63.100 0.207 0.000 0.837 66 P CB -0.000 31.720 31.700 0.034 0.000 0.786 67 F N -0.935 119.270 119.950 0.426 0.000 2.373 67 F HA -0.052 4.475 4.527 0.000 0.000 0.300 67 F C 1.090 177.209 175.800 0.531 0.000 1.080 67 F CA 0.208 58.333 58.000 0.208 0.000 1.417 67 F CB -0.250 38.633 39.000 -0.195 0.000 1.070 67 F HN -0.178 nan 8.300 nan 0.000 0.546 68 F N 0.383 120.485 119.950 0.255 0.000 2.430 68 F HA 0.481 5.008 4.527 0.000 0.000 0.362 68 F C 0.187 176.068 175.800 0.137 0.000 1.103 68 F CA -1.364 56.716 58.000 0.132 0.000 1.045 68 F CB 0.804 39.847 39.000 0.072 0.000 1.276 68 F HN -0.322 nan 8.300 nan 0.000 0.444 69 A N 5.624 128.622 122.820 0.296 0.000 2.473 69 A HA 0.596 4.916 4.320 0.000 0.000 0.282 69 A C 0.046 177.749 177.584 0.198 0.000 1.163 69 A CA -0.023 52.149 52.037 0.225 0.000 0.827 69 A CB -0.207 18.910 19.000 0.195 0.000 1.098 69 A HN 1.004 nan 8.150 nan 0.000 0.515 70 R N 0.976 121.604 120.500 0.214 0.000 3.570 70 R HA 0.536 4.876 4.340 0.000 0.000 0.270 70 R C -1.169 175.278 176.300 0.244 0.000 0.980 70 R CA -0.713 55.477 56.100 0.151 0.000 0.944 70 R CB 0.006 30.382 30.300 0.126 0.000 1.278 70 R HN 1.210 nan 8.270 nan 0.000 0.549 71 F N -1.146 118.875 119.950 0.119 0.000 2.686 71 F HA 0.722 5.249 4.527 0.000 0.000 0.311 71 F C -1.410 174.465 175.800 0.124 0.000 1.128 71 F CA -1.233 56.816 58.000 0.082 0.000 0.946 71 F CB 1.750 40.773 39.000 0.039 0.000 1.336 71 F HN 0.538 nan 8.300 nan 0.000 0.457 72 K N 1.346 122.025 120.400 0.464 0.000 2.166 72 K HA 0.791 5.112 4.320 0.000 0.000 0.245 72 K C -1.897 174.977 176.600 0.455 0.000 0.967 72 K CA -1.142 55.356 56.287 0.352 0.000 0.863 72 K CB 2.231 34.858 32.500 0.212 0.000 1.107 72 K HN 0.681 nan 8.250 nan 0.000 0.436 73 L N 0.968 122.398 121.223 0.345 0.000 2.482 73 L HA 0.435 4.775 4.340 0.000 0.000 0.263 73 L C -1.474 175.512 176.870 0.195 0.000 0.957 73 L CA -0.351 54.651 54.840 0.270 0.000 0.836 73 L CB 2.057 44.288 42.059 0.288 0.000 1.324 73 L HN 0.554 nan 8.230 nan 0.000 0.406 74 R N 4.602 125.169 120.500 0.111 0.000 2.534 74 R HA 0.831 5.171 4.340 0.000 0.000 0.301 74 R C -1.456 174.858 176.300 0.025 0.000 0.961 74 R CA -0.605 55.572 56.100 0.129 0.000 0.871 74 R CB 1.505 31.973 30.300 0.279 0.000 1.170 74 R HN 0.722 nan 8.270 nan 0.000 0.446 75 I N 2.135 122.753 120.570 0.081 0.000 2.730 75 I HA 0.369 4.540 4.170 0.000 0.000 0.298 75 I C -0.825 175.340 176.117 0.080 0.000 1.089 75 I CA -0.833 60.484 61.300 0.027 0.000 1.041 75 I CB 2.451 40.449 38.000 -0.003 0.000 1.235 75 I HN 0.507 nan 8.210 nan 0.000 0.423 76 Q N 3.671 123.514 119.800 0.072 0.000 2.340 76 Q HA 0.711 5.052 4.340 0.000 0.000 0.276 76 Q C -1.697 174.300 176.000 -0.006 0.000 1.048 76 Q CA -0.494 55.353 55.803 0.073 0.000 0.832 76 Q CB 2.996 31.843 28.738 0.181 0.000 1.373 76 Q HN 0.848 nan 8.270 nan 0.000 0.409 77 T N -1.307 113.218 114.554 -0.049 0.000 2.816 77 T HA 0.412 4.762 4.350 0.000 0.000 0.299 77 T C -0.590 174.101 174.700 -0.015 0.000 1.230 77 T CA -0.819 61.223 62.100 -0.096 0.000 1.007 77 T CB 1.124 69.777 68.868 -0.359 0.000 1.289 77 T HN 0.519 nan 8.240 nan 0.000 0.508 78 T N 1.771 116.347 114.554 0.038 0.000 2.778 78 T HA 0.109 4.459 4.350 0.000 0.000 0.282 78 T C 0.473 175.232 174.700 0.099 0.000 0.983 78 T CA -0.069 62.083 62.100 0.087 0.000 1.193 78 T CB -0.222 68.727 68.868 0.135 0.000 0.938 78 T HN 0.801 nan 8.240 nan 0.000 0.523 79 E N 1.987 122.228 120.200 0.068 0.000 2.829 79 E HA 0.030 4.381 4.350 0.000 0.000 0.264 79 E C 1.338 177.991 176.600 0.090 0.000 0.922 79 E CA 1.015 57.454 56.400 0.065 0.000 0.960 79 E CB -0.422 29.306 29.700 0.047 0.000 0.918 79 E HN 1.021 nan 8.360 nan 0.000 0.497 80 G N 3.660 112.518 108.800 0.096 0.000 2.176 80 G HA2 -0.308 3.652 3.960 0.000 0.000 0.232 80 G HA3 -0.308 3.652 3.960 0.000 0.000 0.232 80 G C -0.433 174.568 174.900 0.169 0.000 0.986 80 G CA 0.238 45.399 45.100 0.102 0.000 0.643 80 G HN 0.663 nan 8.290 nan 0.000 0.522 81 Y N 1.293 121.606 120.300 0.022 0.000 2.373 81 Y HA 0.457 5.007 4.550 0.000 0.000 0.327 81 Y C -0.533 175.383 175.900 0.026 0.000 1.036 81 Y CA -1.194 56.919 58.100 0.022 0.000 1.265 81 Y CB 1.093 39.567 38.460 0.024 0.000 1.108 81 Y HN 0.144 nan 8.280 nan 0.000 0.471 82 D N 8.431 129.010 120.400 0.298 0.000 2.455 82 D HA -0.002 4.638 4.640 0.000 0.000 0.241 82 D C -1.626 174.660 176.300 -0.022 0.000 1.138 82 D CA -1.286 52.779 54.000 0.108 0.000 0.877 82 D CB 1.956 42.823 40.800 0.111 0.000 1.187 82 D HN 0.351 nan 8.370 nan 0.000 0.451 83 P HA -0.195 nan 4.420 nan 0.000 0.214 83 P C 1.044 178.314 177.300 -0.050 0.000 1.163 83 P CA 1.421 64.425 63.100 -0.159 0.000 0.883 83 P CB 0.320 31.974 31.700 -0.077 0.000 0.788 84 K N -0.106 120.300 120.400 0.010 0.000 2.071 84 K HA -0.212 4.108 4.320 0.000 0.000 0.217 84 K C 1.998 178.642 176.600 0.073 0.000 1.054 84 K CA 2.099 58.409 56.287 0.038 0.000 0.937 84 K CB -0.795 31.724 32.500 0.032 0.000 0.719 84 K HN 0.164 nan 8.250 nan 0.000 0.454 85 D N 0.357 120.832 120.400 0.125 0.000 2.123 85 D HA -0.154 4.486 4.640 0.000 0.000 0.196 85 D C 1.957 178.399 176.300 0.236 0.000 0.992 85 D CA 1.491 55.605 54.000 0.190 0.000 0.833 85 D CB -0.192 40.769 40.800 0.269 0.000 0.954 85 D HN 0.308 nan 8.370 nan 0.000 0.455 86 A N 1.029 123.989 122.820 0.233 0.000 1.933 86 A HA -0.160 4.160 4.320 0.000 0.000 0.218 86 A C 2.131 179.772 177.584 0.095 0.000 1.175 86 A CA 0.967 53.103 52.037 0.166 0.000 0.628 86 A CB -0.611 18.277 19.000 -0.186 0.000 0.814 86 A HN 0.238 nan 8.150 nan 0.000 0.444 87 L N 0.094 121.356 121.223 0.066 0.000 1.994 87 L HA -0.164 4.176 4.340 0.000 0.000 0.208 87 L C 2.115 179.036 176.870 0.084 0.000 1.071 87 L CA 2.310 57.197 54.840 0.078 0.000 0.745 87 L CB -0.985 41.127 42.059 0.089 0.000 0.892 87 L HN 0.391 nan 8.230 nan 0.000 0.431 88 K N -0.188 120.260 120.400 0.080 0.000 1.980 88 K HA -0.232 4.088 4.320 0.000 0.000 0.223 88 K C 1.892 178.533 176.600 0.068 0.000 1.052 88 K CA 1.797 58.124 56.287 0.068 0.000 0.974 88 K CB -0.661 31.876 32.500 0.062 0.000 0.734 88 K HN 0.420 nan 8.250 nan 0.000 0.447 89 N N 0.822 119.569 118.700 0.079 0.000 2.165 89 N HA -0.311 4.429 4.740 0.000 0.000 0.200 89 N C 1.821 177.365 175.510 0.057 0.000 0.991 89 N CA 1.969 55.061 53.050 0.070 0.000 0.904 89 N CB -0.648 37.899 38.487 0.100 0.000 1.068 89 N HN 0.344 nan 8.380 nan 0.000 0.530 90 A N 1.363 124.220 122.820 0.061 0.000 1.849 90 A HA -0.231 4.090 4.320 0.000 0.000 0.217 90 A C 2.847 180.453 177.584 0.038 0.000 1.202 90 A CA 2.004 54.066 52.037 0.042 0.000 0.629 90 A CB -1.287 17.736 19.000 0.039 0.000 0.834 90 A HN 0.534 nan 8.150 nan 0.000 0.447 91 C N -0.469 118.861 119.300 0.050 0.000 2.359 91 C HA -0.187 4.273 4.460 0.000 0.000 0.279 91 C C 2.687 177.698 174.990 0.036 0.000 1.191 91 C CA 1.136 60.183 59.018 0.049 0.000 1.764 91 C CB -1.872 25.905 27.740 0.062 0.000 2.026 91 C HN 0.683 nan 8.230 nan 0.000 0.442 92 N N 0.711 119.432 118.700 0.036 0.000 2.027 92 N HA -0.202 4.538 4.740 0.000 0.000 0.200 92 N C 1.948 177.473 175.510 0.023 0.000 1.042 92 N CA 2.047 55.114 53.050 0.028 0.000 0.871 92 N CB -0.896 37.608 38.487 0.028 0.000 1.063 92 N HN 0.558 nan 8.380 nan 0.000 0.438 93 S N 0.785 116.499 115.700 0.025 0.000 2.389 93 S HA -0.144 4.326 4.470 0.000 0.000 0.231 93 S C 2.102 176.711 174.600 0.014 0.000 1.052 93 S CA 1.050 59.261 58.200 0.019 0.000 1.053 93 S CB -0.301 62.912 63.200 0.021 0.000 0.886 93 S HN 0.268 nan 8.310 nan 0.000 0.456 94 I N 0.907 121.485 120.570 0.014 0.000 2.142 94 I HA -0.201 3.969 4.170 0.000 0.000 0.240 94 I C 2.215 178.337 176.117 0.008 0.000 1.078 94 I CA 1.468 62.772 61.300 0.007 0.000 1.343 94 I CB -0.461 37.544 38.000 0.007 0.000 1.046 94 I HN 0.354 nan 8.210 nan 0.000 0.405 95 I N 0.897 121.476 120.570 0.014 0.000 2.069 95 I HA -0.364 3.806 4.170 0.000 0.000 0.237 95 I C 2.299 178.424 176.117 0.013 0.000 1.053 95 I CA 1.565 62.873 61.300 0.014 0.000 1.311 95 I CB -0.842 37.169 38.000 0.017 0.000 1.030 95 I HN 0.314 nan 8.210 nan 0.000 0.398 96 N N 1.332 120.040 118.700 0.014 0.000 2.069 96 N HA -0.238 4.502 4.740 0.000 0.000 0.196 96 N C 1.690 177.208 175.510 0.013 0.000 1.024 96 N CA 1.608 54.666 53.050 0.014 0.000 0.869 96 N CB -0.461 38.034 38.487 0.014 0.000 1.035 96 N HN 0.445 nan 8.380 nan 0.000 0.434 97 K N 0.658 121.064 120.400 0.011 0.000 1.991 97 K HA -0.056 4.264 4.320 0.000 0.000 0.212 97 K C 2.296 178.901 176.600 0.009 0.000 1.049 97 K CA 0.947 57.239 56.287 0.009 0.000 0.932 97 K CB -0.410 32.092 32.500 0.003 0.000 0.717 97 K HN 0.115 nan 8.250 nan 0.000 0.441 98 L N 0.423 121.648 121.223 0.004 0.000 2.013 98 L HA -0.202 4.138 4.340 0.000 0.000 0.212 98 L C 2.601 179.478 176.870 0.012 0.000 1.073 98 L CA 1.576 56.417 54.840 0.002 0.000 0.753 98 L CB -1.127 40.930 42.059 -0.002 0.000 0.890 98 L HN 0.422 nan 8.230 nan 0.000 0.432 99 G N -0.315 108.495 108.800 0.015 0.000 2.586 99 G HA2 -0.364 3.596 3.960 0.000 0.000 0.218 99 G HA3 -0.364 3.596 3.960 0.000 0.000 0.218 99 G C 1.740 176.658 174.900 0.030 0.000 1.216 99 G CA 1.212 46.324 45.100 0.021 0.000 0.786 99 G HN 0.504 nan 8.290 nan 0.000 0.583 100 A N 0.391 123.228 122.820 0.028 0.000 1.903 100 A HA -0.074 4.246 4.320 0.000 0.000 0.219 100 A C 2.471 180.085 177.584 0.050 0.000 1.191 100 A CA 1.817 53.875 52.037 0.035 0.000 0.638 100 A CB -0.607 18.410 19.000 0.028 0.000 0.823 100 A HN 0.445 nan 8.150 nan 0.000 0.451 101 L N -0.529 120.719 121.223 0.042 0.000 1.989 101 L HA -0.251 4.089 4.340 0.000 0.000 0.211 101 L C 2.644 179.571 176.870 0.095 0.000 1.071 101 L CA 2.431 57.304 54.840 0.054 0.000 0.749 101 L CB -0.371 41.696 42.059 0.013 0.000 0.890 101 L HN 0.570 nan 8.230 nan 0.000 0.431 102 K N -0.929 119.513 120.400 0.070 0.000 2.015 102 K HA -0.246 4.074 4.320 0.000 0.000 0.216 102 K C 1.815 178.498 176.600 0.139 0.000 1.052 102 K CA 2.485 58.833 56.287 0.101 0.000 0.937 102 K CB -0.382 32.152 32.500 0.057 0.000 0.719 102 K HN 0.363 nan 8.250 nan 0.000 0.446 103 T N 1.697 116.305 114.554 0.090 0.000 2.474 103 T HA -0.180 4.170 4.350 0.000 0.000 0.254 103 T C 1.606 176.363 174.700 0.096 0.000 1.191 103 T CA 1.731 63.876 62.100 0.075 0.000 1.231 103 T CB -0.695 68.204 68.868 0.051 0.000 0.865 103 T HN 0.358 nan 8.240 nan 0.000 0.398 104 N N 0.797 119.554 118.700 0.095 0.000 2.187 104 N HA -0.156 4.585 4.740 0.000 0.000 0.194 104 N C 1.553 177.153 175.510 0.151 0.000 1.002 104 N CA 1.230 54.341 53.050 0.101 0.000 0.882 104 N CB -0.583 37.959 38.487 0.092 0.000 1.003 104 N HN 0.346 nan 8.380 nan 0.000 0.443 105 F N 2.209 122.184 119.950 0.041 0.000 2.014 105 F HA -0.138 4.389 4.527 0.000 0.000 0.295 105 F C 2.235 178.097 175.800 0.102 0.000 1.145 105 F CA 1.478 59.514 58.000 0.061 0.000 1.178 105 F CB -0.797 38.220 39.000 0.029 0.000 0.972 105 F HN 0.011 nan 8.300 nan 0.000 0.476 106 E N -0.185 119.921 120.200 -0.158 0.000 2.095 106 E HA -0.320 4.030 4.350 0.000 0.000 0.212 106 E C 2.045 178.586 176.600 -0.098 0.000 1.044 106 E CA 2.543 58.812 56.400 -0.218 0.000 0.857 106 E CB -0.903 28.769 29.700 -0.046 0.000 0.764 106 E HN 0.455 nan 8.360 nan 0.000 0.462 107 T N 1.427 115.964 114.554 -0.028 0.000 2.531 107 T HA -0.260 4.090 4.350 0.000 0.000 0.261 107 T C 1.678 176.365 174.700 -0.021 0.000 1.141 107 T CA 1.793 63.890 62.100 -0.006 0.000 1.176 107 T CB -0.426 68.451 68.868 0.015 0.000 0.863 107 T HN 0.181 nan 8.240 nan 0.000 0.424 108 E N -0.027 120.159 120.200 -0.024 0.000 2.130 108 E HA -0.154 4.196 4.350 0.000 0.000 0.196 108 E C 1.872 178.434 176.600 -0.064 0.000 0.998 108 E CA 0.957 57.342 56.400 -0.025 0.000 0.806 108 E CB -0.404 29.315 29.700 0.032 0.000 0.738 108 E HN 0.707 nan 8.360 nan 0.000 0.459 109 W N 2.248 123.338 121.300 -0.351 0.000 2.355 109 W HA -0.167 4.493 4.660 0.000 0.000 0.309 109 W C 1.396 177.796 176.519 -0.197 0.000 1.206 109 W CA 1.245 58.377 57.345 -0.354 0.000 1.284 109 W CB -0.373 28.705 29.460 -0.636 0.000 1.145 109 W HN 0.055 nan 8.180 nan 0.000 0.502 110 N N 1.162 119.861 118.700 -0.001 0.000 2.223 110 N HA -0.160 4.580 4.740 0.000 0.000 0.185 110 N C 1.747 177.171 175.510 -0.144 0.000 1.016 110 N CA 1.688 54.711 53.050 -0.046 0.000 0.863 110 N CB -0.825 37.683 38.487 0.036 0.000 0.983 110 N HN 0.308 nan 8.380 nan 0.000 0.429 111 L N 0.721 121.867 121.223 -0.128 0.000 2.622 111 L HA 0.007 4.347 4.340 0.000 0.000 0.233 111 L C 0.554 177.323 176.870 -0.169 0.000 1.156 111 L CA 0.483 55.253 54.840 -0.116 0.000 0.866 111 L CB -0.255 41.759 42.059 -0.075 0.000 0.980 111 L HN 0.048 nan 8.230 nan 0.000 0.448 112 Q N 0.332 119.960 119.800 -0.288 0.000 2.205 112 Q HA 0.430 4.770 4.340 0.000 0.000 0.249 112 Q C -0.275 175.539 176.000 -0.311 0.000 0.948 112 Q CA 0.002 55.606 55.803 -0.332 0.000 0.895 112 Q CB 2.090 30.521 28.738 -0.512 0.000 1.249 112 Q HN -0.022 nan 8.270 nan 0.000 0.458 113 T N 1.438 115.849 114.554 -0.239 0.000 2.861 113 T HA 0.738 5.088 4.350 0.000 0.000 0.287 113 T C -0.099 174.499 174.700 -0.171 0.000 1.003 113 T CA -0.560 61.432 62.100 -0.180 0.000 0.977 113 T CB 1.054 69.853 68.868 -0.116 0.000 0.996 113 T HN 0.585 nan 8.240 nan 0.000 0.448 114 L N 0.000 121.136 121.223 -0.144 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.778 54.840 -0.103 0.000 0.813 114 L CB 0.000 42.005 42.059 -0.089 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502