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 2nvy_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 0.000 176.267 176.300 -0.056 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.039 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 2 N N 1.977 120.634 118.700 -0.071 0.000 2.270 2 N HA 0.214 4.954 4.740 0.000 0.000 0.181 2 N C 0.531 175.960 175.510 -0.135 0.000 1.016 2 N CA 1.248 54.238 53.050 -0.100 0.000 0.870 2 N CB 0.016 38.436 38.487 -0.113 0.000 0.979 2 N HN 0.603 nan 8.380 nan 0.000 0.431 3 A N 3.284 126.028 122.820 -0.128 0.000 2.572 3 A HA 0.048 4.368 4.320 0.000 0.000 0.256 3 A C -1.902 175.594 177.584 -0.145 0.000 1.041 3 A CA -0.547 51.405 52.037 -0.143 0.000 0.790 3 A CB -0.412 18.530 19.000 -0.097 0.000 0.947 3 A HN 0.138 nan 8.150 nan 0.000 0.518 4 P HA 0.169 nan 4.420 nan 0.000 0.280 4 P C -0.526 176.639 177.300 -0.225 0.000 1.244 4 P CA -0.524 62.454 63.100 -0.203 0.000 0.784 4 P CB 0.601 32.166 31.700 -0.225 0.000 0.913 5 D N 2.679 122.919 120.400 -0.267 0.000 2.648 5 D HA -0.084 4.556 4.640 0.000 0.000 0.229 5 D C 1.617 177.661 176.300 -0.425 0.000 1.119 5 D CA 0.341 54.159 54.000 -0.304 0.000 0.850 5 D CB 0.665 41.230 40.800 -0.391 0.000 1.169 5 D HN 0.219 nan 8.370 nan 0.000 0.489 6 R N 3.036 123.428 120.500 -0.179 0.000 2.193 6 R HA -0.154 4.186 4.340 0.000 0.000 0.229 6 R C 2.141 178.306 176.300 -0.225 0.000 1.110 6 R CA 0.616 56.647 56.100 -0.114 0.000 0.988 6 R CB -0.521 29.812 30.300 0.055 0.000 0.871 6 R HN 0.598 nan 8.270 nan 0.000 0.458 7 F N 1.565 121.369 119.950 -0.243 0.000 2.171 7 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 7 F C 1.416 176.719 175.800 -0.828 0.000 1.090 7 F CA 0.749 58.336 58.000 -0.688 0.000 1.293 7 F CB -0.902 37.925 39.000 -0.288 0.000 1.013 7 F HN -0.105 nan 8.300 nan 0.000 0.486 8 E N 1.095 120.695 120.200 -1.000 0.000 2.483 8 E HA -0.163 4.187 4.350 0.000 0.000 0.205 8 E C 1.927 178.325 176.600 -0.337 0.000 1.075 8 E CA 0.908 56.949 56.400 -0.598 0.000 0.889 8 E CB -0.411 28.948 29.700 -0.569 0.000 0.816 8 E HN 0.610 nan 8.360 nan 0.000 0.567 9 L N -0.831 120.147 121.223 -0.409 0.000 2.354 9 L HA 0.031 4.371 4.340 0.000 0.000 0.212 9 L C 1.677 178.551 176.870 0.007 0.000 1.091 9 L CA 0.520 55.283 54.840 -0.128 0.000 0.828 9 L CB -0.048 42.025 42.059 0.024 0.000 0.973 9 L HN 0.224 nan 8.230 nan 0.000 0.461 10 F N -3.082 116.931 119.950 0.104 0.000 2.831 10 F HA 0.435 4.962 4.527 0.000 0.000 0.334 10 F C 0.084 175.957 175.800 0.122 0.000 1.071 10 F CA -0.733 57.332 58.000 0.109 0.000 1.172 10 F CB 0.067 39.124 39.000 0.095 0.000 1.054 10 F HN -0.264 nan 8.300 nan 0.000 0.572 11 L N 2.721 123.900 121.223 -0.073 0.000 2.296 11 L HA 0.485 4.825 4.340 0.000 0.000 0.286 11 L C -0.649 176.267 176.870 0.076 0.000 1.023 11 L CA -1.210 53.679 54.840 0.081 0.000 0.812 11 L CB 1.436 43.571 42.059 0.126 0.000 1.223 11 L HN 0.033 nan 8.230 nan 0.000 0.421 12 L N 3.679 124.957 121.223 0.092 0.000 2.369 12 L HA 0.408 4.748 4.340 0.000 0.000 0.279 12 L C 1.134 178.054 176.870 0.084 0.000 1.108 12 L CA 0.456 55.338 54.840 0.071 0.000 0.852 12 L CB 0.359 42.453 42.059 0.058 0.000 1.169 12 L HN 0.722 nan 8.230 nan 0.000 0.452 13 G N 2.430 111.281 108.800 0.084 0.000 2.653 13 G HA2 0.203 4.163 3.960 0.000 0.000 0.265 13 G HA3 0.203 4.163 3.960 0.000 0.000 0.265 13 G C -0.073 174.858 174.900 0.051 0.000 1.237 13 G CA -0.551 44.603 45.100 0.091 0.000 0.946 13 G HN 0.602 nan 8.290 nan 0.000 0.522 14 E N -1.231 118.994 120.200 0.042 0.000 2.422 14 E HA 0.352 4.702 4.350 0.000 0.000 0.260 14 E C 1.519 178.127 176.600 0.013 0.000 1.108 14 E CA 1.447 57.861 56.400 0.024 0.000 0.943 14 E CB 0.432 30.144 29.700 0.020 0.000 0.961 14 E HN 0.918 nan 8.360 nan 0.000 0.443 15 G N 1.718 110.522 108.800 0.006 0.000 2.382 15 G HA2 -0.391 3.569 3.960 0.000 0.000 0.259 15 G HA3 -0.391 3.569 3.960 0.000 0.000 0.259 15 G C 0.052 174.947 174.900 -0.008 0.000 1.009 15 G CA 0.761 45.859 45.100 -0.003 0.000 0.625 15 G HN 0.546 nan 8.290 nan 0.000 0.541 16 E N 1.286 121.484 120.200 -0.004 0.000 2.338 16 E HA 0.514 4.864 4.350 0.000 0.000 0.272 16 E C 0.366 176.959 176.600 -0.011 0.000 1.029 16 E CA 0.044 56.438 56.400 -0.010 0.000 0.872 16 E CB 0.857 30.556 29.700 -0.002 0.000 1.015 16 E HN 0.333 nan 8.360 nan 0.000 0.417 17 S N 2.221 117.905 115.700 -0.028 0.000 2.713 17 S HA 0.162 4.632 4.470 0.000 0.000 0.277 17 S C 1.029 175.609 174.600 -0.033 0.000 1.168 17 S CA -0.880 57.300 58.200 -0.033 0.000 0.994 17 S CB 0.995 64.162 63.200 -0.056 0.000 1.054 17 S HN 0.417 nan 8.310 nan 0.000 0.555 18 K N -0.023 120.355 120.400 -0.035 0.000 2.031 18 K HA 0.190 4.510 4.320 0.000 0.000 0.205 18 K C 0.203 176.717 176.600 -0.143 0.000 1.049 18 K CA 1.062 57.329 56.287 -0.033 0.000 0.939 18 K CB -0.316 32.185 32.500 0.002 0.000 0.717 18 K HN 0.472 nan 8.250 nan 0.000 0.438 19 L N 2.001 123.101 121.223 -0.205 0.000 2.341 19 L HA 0.330 4.670 4.340 0.000 0.000 0.278 19 L C -0.373 176.356 176.870 -0.234 0.000 1.005 19 L CA -0.619 54.010 54.840 -0.351 0.000 0.818 19 L CB 1.933 43.762 42.059 -0.383 0.000 1.259 19 L HN -0.138 nan 8.230 nan 0.000 0.418 20 K N 4.540 124.796 120.400 -0.239 0.000 2.206 20 K HA 0.610 4.930 4.320 0.000 0.000 0.264 20 K C -0.914 175.586 176.600 -0.166 0.000 0.967 20 K CA -0.532 55.659 56.287 -0.159 0.000 0.844 20 K CB 2.455 34.883 32.500 -0.120 0.000 1.099 20 K HN 0.464 nan 8.250 nan 0.000 0.441 21 I N 2.947 123.444 120.570 -0.122 0.000 2.339 21 I HA 0.178 4.348 4.170 0.000 0.000 0.290 21 I C -0.658 175.420 176.117 -0.065 0.000 0.994 21 I CA -0.626 60.614 61.300 -0.100 0.000 1.191 21 I CB 1.391 39.339 38.000 -0.087 0.000 1.343 21 I HN 0.432 nan 8.210 nan 0.000 0.458 22 D N 8.174 128.543 120.400 -0.052 0.000 2.362 22 D HA 0.375 5.016 4.640 0.000 0.000 0.247 22 D C -2.561 173.727 176.300 -0.021 0.000 1.050 22 D CA -1.654 52.325 54.000 -0.034 0.000 0.839 22 D CB 2.046 42.828 40.800 -0.031 0.000 1.283 22 D HN 0.156 nan 8.370 nan 0.000 0.477 23 P HA 0.116 nan 4.420 nan 0.000 0.283 23 P C -0.220 177.073 177.300 -0.012 0.000 1.412 23 P CA -0.538 62.555 63.100 -0.012 0.000 0.912 23 P CB 0.358 32.050 31.700 -0.012 0.000 1.132 24 D N 2.903 123.298 120.400 -0.008 0.000 2.583 24 D HA -0.062 4.578 4.640 0.000 0.000 0.232 24 D C 0.499 176.786 176.300 -0.022 0.000 1.128 24 D CA 0.899 54.890 54.000 -0.015 0.000 0.859 24 D CB 0.893 41.682 40.800 -0.019 0.000 1.169 24 D HN 0.246 nan 8.370 nan 0.000 0.481 25 T N 3.716 118.255 114.554 -0.026 0.000 2.983 25 T HA -0.032 4.318 4.350 0.000 0.000 0.250 25 T C 1.787 176.468 174.700 -0.033 0.000 1.037 25 T CA 0.107 62.192 62.100 -0.025 0.000 1.142 25 T CB 0.178 69.033 68.868 -0.022 0.000 0.876 25 T HN 0.378 nan 8.240 nan 0.000 0.455 26 K N 1.835 122.209 120.400 -0.042 0.000 2.218 26 K HA 0.095 4.415 4.320 0.000 0.000 0.205 26 K C 0.922 177.485 176.600 -0.061 0.000 1.046 26 K CA 0.807 57.062 56.287 -0.053 0.000 0.933 26 K CB -0.242 32.217 32.500 -0.068 0.000 0.728 26 K HN 0.481 nan 8.250 nan 0.000 0.454 27 A N 1.232 124.013 122.820 -0.064 0.000 2.566 27 A HA 0.552 4.872 4.320 0.000 0.000 0.292 27 A C -2.767 174.793 177.584 -0.040 0.000 1.112 27 A CA -1.378 50.621 52.037 -0.064 0.000 0.707 27 A CB 1.669 20.605 19.000 -0.106 0.000 1.302 27 A HN -0.156 nan 8.150 nan 0.000 0.409 28 P HA 0.356 nan 4.420 nan 0.000 0.288 28 P C -0.216 177.082 177.300 -0.004 0.000 1.267 28 P CA -0.205 62.888 63.100 -0.012 0.000 0.815 28 P CB 0.786 32.483 31.700 -0.005 0.000 0.989 29 N N -0.889 117.814 118.700 0.004 0.000 2.776 29 N HA -0.155 4.585 4.740 0.000 0.000 0.250 29 N C -0.605 174.910 175.510 0.009 0.000 1.112 29 N CA 1.057 54.115 53.050 0.013 0.000 0.733 29 N CB -1.082 37.421 38.487 0.026 0.000 1.097 29 N HN 0.676 nan 8.380 nan 0.000 0.558 30 A N -0.211 122.611 122.820 0.003 0.000 2.355 30 A HA 0.816 5.136 4.320 0.000 0.000 0.324 30 A C -0.116 177.478 177.584 0.017 0.000 1.117 30 A CA -0.365 51.681 52.037 0.015 0.000 0.785 30 A CB 2.377 21.370 19.000 -0.010 0.000 1.254 30 A HN 0.012 nan 8.150 nan 0.000 0.453 31 V N 1.299 121.237 119.914 0.039 0.000 2.925 31 V HA 0.477 4.597 4.120 0.000 0.000 0.311 31 V C -0.860 175.269 176.094 0.058 0.000 1.104 31 V CA -0.492 61.826 62.300 0.030 0.000 0.954 31 V CB 2.258 34.088 31.823 0.012 0.000 1.022 31 V HN 0.722 nan 8.190 nan 0.000 0.427 32 V N 5.687 125.623 119.914 0.036 0.000 2.384 32 V HA 0.557 4.677 4.120 0.000 0.000 0.287 32 V C -0.411 175.683 176.094 -0.000 0.000 1.020 32 V CA -0.298 62.031 62.300 0.049 0.000 0.850 32 V CB 1.496 33.344 31.823 0.040 0.000 0.987 32 V HN 0.649 nan 8.190 nan 0.000 0.436 33 I N 3.447 124.016 120.570 -0.001 0.000 2.474 33 I HA 0.476 4.646 4.170 0.000 0.000 0.294 33 I C 0.088 176.111 176.117 -0.158 0.000 1.005 33 I CA -0.376 60.843 61.300 -0.135 0.000 1.113 33 I CB 2.141 39.992 38.000 -0.248 0.000 1.289 33 I HN 0.379 nan 8.210 nan 0.000 0.436 34 T N 5.781 120.187 114.554 -0.246 0.000 2.770 34 T HA 0.479 4.829 4.350 0.000 0.000 0.297 34 T C -0.481 173.991 174.700 -0.380 0.000 0.997 34 T CA -0.250 61.723 62.100 -0.213 0.000 0.949 34 T CB 0.047 68.839 68.868 -0.126 0.000 0.941 34 T HN 0.121 nan 8.240 nan 0.000 0.457 35 F N 3.064 122.712 119.950 -0.503 0.000 2.424 35 F HA 0.306 4.833 4.527 0.000 0.000 0.356 35 F C 1.203 176.838 175.800 -0.276 0.000 1.110 35 F CA -0.708 57.011 58.000 -0.468 0.000 1.161 35 F CB 0.711 39.171 39.000 -0.900 0.000 1.115 35 F HN 0.346 nan 8.300 nan 0.000 0.507 36 E N 3.572 123.772 120.200 0.000 0.000 2.242 36 E HA 0.185 4.535 4.350 0.000 0.000 0.275 36 E C -0.045 176.615 176.600 0.099 0.000 1.002 36 E CA -0.693 55.731 56.400 0.041 0.000 0.841 36 E CB 1.200 30.905 29.700 0.009 0.000 1.109 36 E HN 0.387 nan 8.360 nan 0.000 0.394 37 K N 1.123 121.594 120.400 0.117 0.000 3.156 37 K HA -0.191 4.129 4.320 0.000 0.000 0.266 37 K C -0.038 176.681 176.600 0.199 0.000 0.966 37 K CA 0.946 57.319 56.287 0.144 0.000 0.719 37 K CB -1.238 31.330 32.500 0.113 0.000 1.333 37 K HN 0.483 nan 8.250 nan 0.000 0.468 38 E N 0.426 120.775 120.200 0.247 0.000 2.447 38 E HA 0.575 4.925 4.350 0.000 0.000 0.251 38 E C 0.341 177.146 176.600 0.341 0.000 0.910 38 E CA -0.364 56.220 56.400 0.307 0.000 0.841 38 E CB 1.435 31.372 29.700 0.395 0.000 1.403 38 E HN 0.299 nan 8.360 nan 0.000 0.400 39 D N -2.557 117.989 120.400 0.244 0.000 3.309 39 D HA 0.112 4.752 4.640 0.000 0.000 0.335 39 D C 0.902 177.036 176.300 -0.276 0.000 1.393 39 D CA -0.319 53.721 54.000 0.068 0.000 0.963 39 D CB 0.036 40.916 40.800 0.133 0.000 1.431 39 D HN 0.323 nan 8.370 nan 0.000 0.583 40 H N -0.404 118.596 119.070 -0.116 0.000 2.353 40 H HA -0.108 4.448 4.556 0.000 0.000 0.298 40 H C 1.394 176.541 175.328 -0.302 0.000 1.103 40 H CA 2.187 58.124 56.048 -0.184 0.000 1.293 40 H CB -0.557 29.196 29.762 -0.015 0.000 1.372 40 H HN 0.446 nan 8.280 nan 0.000 0.501 41 T N 1.520 116.049 114.554 -0.042 0.000 2.602 41 T HA -0.229 4.121 4.350 0.000 0.000 0.264 41 T C 2.182 176.774 174.700 -0.179 0.000 1.085 41 T CA 1.975 64.026 62.100 -0.082 0.000 1.164 41 T CB -0.496 68.354 68.868 -0.031 0.000 0.860 41 T HN 0.066 nan 8.240 nan 0.000 0.442 42 L N 0.373 121.453 121.223 -0.238 0.000 2.071 42 L HA 0.294 4.634 4.340 0.000 0.000 0.201 42 L C 2.703 179.214 176.870 -0.598 0.000 1.076 42 L CA 1.931 56.592 54.840 -0.298 0.000 0.755 42 L CB -1.466 40.500 42.059 -0.154 0.000 0.915 42 L HN 0.348 nan 8.230 nan 0.000 0.445 43 G N -0.216 107.879 108.800 -1.175 0.000 2.802 43 G HA2 -0.503 3.457 3.960 0.000 0.000 0.222 43 G HA3 -0.503 3.457 3.960 0.000 0.000 0.222 43 G C 1.466 175.429 174.900 -1.561 0.000 1.248 43 G CA 1.425 45.412 45.100 -1.854 0.000 0.787 43 G HN 0.490 nan 8.290 nan 0.000 0.643 44 N N -0.068 117.759 118.700 -1.455 0.000 2.258 44 N HA -0.084 4.656 4.740 0.000 0.000 0.187 44 N C 1.951 177.203 175.510 -0.430 0.000 1.012 44 N CA 1.232 53.823 53.050 -0.765 0.000 0.870 44 N CB -0.217 38.109 38.487 -0.268 0.000 0.977 44 N HN 0.313 nan 8.380 nan 0.000 0.434 45 L N 0.595 121.580 121.223 -0.396 0.000 1.971 45 L HA 0.092 4.432 4.340 0.000 0.000 0.208 45 L C 1.956 178.698 176.870 -0.213 0.000 1.083 45 L CA 1.475 56.172 54.840 -0.238 0.000 0.753 45 L CB -1.146 40.798 42.059 -0.191 0.000 0.893 45 L HN 0.204 nan 8.230 nan 0.000 0.436 46 I N -0.223 120.213 120.570 -0.224 0.000 2.181 46 I HA -0.371 3.799 4.170 0.000 0.000 0.247 46 I C 2.750 178.795 176.117 -0.119 0.000 1.081 46 I CA 1.479 62.699 61.300 -0.134 0.000 1.340 46 I CB -0.581 37.358 38.000 -0.102 0.000 1.036 46 I HN 0.396 nan 8.210 nan 0.000 0.417 47 R N 1.352 121.733 120.500 -0.197 0.000 2.070 47 R HA -0.142 4.198 4.340 0.000 0.000 0.233 47 R C 2.161 178.397 176.300 -0.108 0.000 1.137 47 R CA 2.007 58.024 56.100 -0.138 0.000 0.945 47 R CB -0.437 29.772 30.300 -0.151 0.000 0.845 47 R HN 0.408 nan 8.270 nan 0.000 0.430 48 A N 0.364 123.113 122.820 -0.119 0.000 2.206 48 A HA -0.020 4.300 4.320 0.000 0.000 0.211 48 A C 1.763 179.311 177.584 -0.060 0.000 1.158 48 A CA 0.640 52.629 52.037 -0.080 0.000 0.761 48 A CB -0.047 18.907 19.000 -0.076 0.000 0.801 48 A HN 0.228 nan 8.150 nan 0.000 0.473 49 E N 0.013 120.176 120.200 -0.062 0.000 2.057 49 E HA 0.040 4.390 4.350 0.000 0.000 0.190 49 E C 1.924 178.510 176.600 -0.023 0.000 0.969 49 E CA 0.437 56.816 56.400 -0.035 0.000 0.812 49 E CB -0.504 29.178 29.700 -0.029 0.000 0.777 49 E HN 0.576 nan 8.360 nan 0.000 0.455 50 L N 0.634 121.840 121.223 -0.029 0.000 2.151 50 L HA -0.241 4.099 4.340 0.000 0.000 0.215 50 L C 2.372 179.219 176.870 -0.038 0.000 1.084 50 L CA 0.759 55.582 54.840 -0.028 0.000 0.764 50 L CB -0.258 41.781 42.059 -0.033 0.000 0.891 50 L HN 0.135 nan 8.230 nan 0.000 0.435 51 L N -0.855 120.340 121.223 -0.047 0.000 2.270 51 L HA -0.065 4.275 4.340 0.000 0.000 0.210 51 L C 2.116 178.974 176.870 -0.020 0.000 1.104 51 L CA 1.253 56.064 54.840 -0.047 0.000 0.804 51 L CB -0.598 41.424 42.059 -0.061 0.000 0.937 51 L HN 0.214 nan 8.230 nan 0.000 0.450 52 N N -0.155 118.539 118.700 -0.010 0.000 2.062 52 N HA -0.154 4.586 4.740 0.000 0.000 0.191 52 N C 0.318 175.843 175.510 0.024 0.000 1.042 52 N CA 0.683 53.736 53.050 0.005 0.000 0.845 52 N CB -0.483 38.007 38.487 0.004 0.000 1.024 52 N HN 0.299 nan 8.380 nan 0.000 0.424 53 D N 1.191 121.613 120.400 0.036 0.000 3.264 53 D HA -0.160 4.480 4.640 0.000 0.000 0.213 53 D C 0.908 177.253 176.300 0.076 0.000 1.112 53 D CA 0.503 54.547 54.000 0.073 0.000 0.777 53 D CB 0.437 41.284 40.800 0.079 0.000 1.156 53 D HN 0.165 nan 8.370 nan 0.000 0.556 54 R N 2.809 123.367 120.500 0.096 0.000 2.161 54 R HA 0.002 4.342 4.340 0.000 0.000 0.213 54 R C 1.403 177.775 176.300 0.120 0.000 1.055 54 R CA 0.577 56.728 56.100 0.086 0.000 0.996 54 R CB 0.260 30.600 30.300 0.067 0.000 0.901 54 R HN 0.392 nan 8.270 nan 0.000 0.456 55 K N 0.571 121.100 120.400 0.215 0.000 2.522 55 K HA 0.105 4.425 4.320 0.000 0.000 0.194 55 K C -0.328 176.368 176.600 0.159 0.000 1.026 55 K CA 0.136 56.610 56.287 0.313 0.000 1.119 55 K CB 0.659 33.491 32.500 0.552 0.000 0.856 55 K HN -0.076 nan 8.250 nan 0.000 0.513 56 V N 2.093 122.030 119.914 0.038 0.000 2.370 56 V HA 0.108 4.228 4.120 0.000 0.000 0.279 56 V C 1.032 177.139 176.094 0.021 0.000 1.029 56 V CA -0.248 62.019 62.300 -0.055 0.000 0.870 56 V CB 1.338 33.113 31.823 -0.079 0.000 0.984 56 V HN 0.219 nan 8.190 nan 0.000 0.451 57 L N 4.919 126.171 121.223 0.049 0.000 2.249 57 L HA 0.318 4.658 4.340 0.000 0.000 0.207 57 L C 0.303 177.281 176.870 0.179 0.000 1.090 57 L CA 1.004 55.903 54.840 0.099 0.000 0.802 57 L CB 0.071 42.188 42.059 0.096 0.000 0.947 57 L HN 0.547 nan 8.230 nan 0.000 0.453 58 F N 0.458 120.401 119.950 -0.011 0.000 2.605 58 F HA 0.678 5.205 4.527 0.000 0.000 0.320 58 F C -1.165 174.639 175.800 0.007 0.000 1.159 58 F CA -0.903 57.099 58.000 0.003 0.000 0.999 58 F CB 1.215 40.219 39.000 0.006 0.000 1.258 58 F HN -0.258 nan 8.300 nan 0.000 0.464 59 A N 4.612 127.026 122.820 -0.677 0.000 2.381 59 A HA 0.995 5.315 4.320 0.000 0.000 0.299 59 A C -1.577 175.604 177.584 -0.671 0.000 1.049 59 A CA 0.035 51.765 52.037 -0.512 0.000 0.715 59 A CB 1.214 20.090 19.000 -0.207 0.000 1.222 59 A HN 1.737 nan 8.150 nan 0.000 0.428 60 A N 1.319 123.879 122.820 -0.433 0.000 2.612 60 A HA 0.876 5.196 4.320 0.000 0.000 0.293 60 A C -1.273 176.403 177.584 0.152 0.000 1.075 60 A CA -0.351 51.587 52.037 -0.165 0.000 0.680 60 A CB 0.993 19.852 19.000 -0.236 0.000 1.279 60 A HN 2.179 nan 8.150 nan 0.000 0.411 61 Y N -0.050 120.253 120.300 0.004 0.000 2.571 61 Y HA 0.811 5.361 4.550 0.000 0.000 0.341 61 Y C -0.999 174.933 175.900 0.054 0.000 1.076 61 Y CA -0.893 57.260 58.100 0.087 0.000 1.029 61 Y CB 1.756 40.227 38.460 0.018 0.000 1.308 61 Y HN 0.879 nan 8.280 nan 0.000 0.461 62 K N 2.483 122.758 120.400 -0.209 0.000 2.542 62 K HA 0.600 4.920 4.320 0.000 0.000 0.259 62 K C -2.343 174.183 176.600 -0.122 0.000 0.932 62 K CA -1.090 54.976 56.287 -0.368 0.000 0.820 62 K CB 2.545 34.957 32.500 -0.147 0.000 1.345 62 K HN 0.787 nan 8.250 nan 0.000 0.432 63 V N 3.041 122.838 119.914 -0.195 0.000 2.318 63 V HA 0.165 4.285 4.120 0.000 0.000 0.271 63 V C 0.526 176.636 176.094 0.027 0.000 1.030 63 V CA 0.019 62.310 62.300 -0.014 0.000 0.844 63 V CB 0.761 32.533 31.823 -0.086 0.000 1.015 63 V HN 0.951 nan 8.190 nan 0.000 0.460 64 E N 3.892 124.144 120.200 0.086 0.000 2.208 64 E HA -0.019 4.331 4.350 0.000 0.000 0.193 64 E C 0.075 176.769 176.600 0.157 0.000 0.988 64 E CA 0.992 57.444 56.400 0.087 0.000 0.828 64 E CB 0.139 29.890 29.700 0.084 0.000 0.763 64 E HN 0.880 nan 8.360 nan 0.000 0.478 65 H N -1.581 117.587 119.070 0.163 0.000 2.934 65 H HA 0.132 4.688 4.556 0.000 0.000 0.340 65 H C -2.206 173.182 175.328 0.101 0.000 1.008 65 H CA -2.043 54.096 56.048 0.152 0.000 1.317 65 H CB 1.847 31.806 29.762 0.329 0.000 1.670 65 H HN -0.203 nan 8.280 nan 0.000 0.516 66 P HA -0.219 nan 4.420 nan 0.000 0.218 66 P C 0.834 178.241 177.300 0.179 0.000 1.147 66 P CA 1.455 64.569 63.100 0.023 0.000 0.827 66 P CB 0.035 31.612 31.700 -0.205 0.000 0.778 67 F N -2.475 117.633 119.950 0.264 0.000 2.146 67 F HA -0.064 4.463 4.527 0.000 0.000 0.298 67 F C 1.079 176.635 175.800 -0.408 0.000 1.096 67 F CA -0.068 57.722 58.000 -0.350 0.000 1.275 67 F CB -0.358 38.004 39.000 -1.063 0.000 1.008 67 F HN -0.198 nan 8.300 nan 0.000 0.480 68 F N -0.004 120.115 119.950 0.282 0.000 2.399 68 F HA 0.499 5.026 4.527 -0.000 0.000 0.334 68 F C 0.387 176.271 175.800 0.139 0.000 1.097 68 F CA -1.386 56.706 58.000 0.152 0.000 1.076 68 F CB 0.585 39.651 39.000 0.110 0.000 1.162 68 F HN -0.296 nan 8.300 nan 0.000 0.495 69 A N 4.595 127.578 122.820 0.272 0.000 2.415 69 A HA 0.725 5.045 4.320 0.000 0.000 0.309 69 A C -0.002 177.711 177.584 0.215 0.000 1.356 69 A CA -0.356 51.810 52.037 0.214 0.000 0.998 69 A CB -0.344 18.744 19.000 0.147 0.000 1.145 69 A HN 0.957 nan 8.150 nan 0.000 0.545 70 R N 0.857 121.505 120.500 0.247 0.000 3.012 70 R HA 0.641 4.981 4.340 0.000 0.000 0.287 70 R C -1.379 175.107 176.300 0.311 0.000 0.990 70 R CA -0.791 55.433 56.100 0.206 0.000 0.839 70 R CB 0.490 30.857 30.300 0.112 0.000 1.317 70 R HN 1.081 nan 8.270 nan 0.000 0.518 71 F N -1.375 118.671 119.950 0.159 0.000 2.693 71 F HA 0.659 5.186 4.527 0.000 0.000 0.309 71 F C -1.598 174.336 175.800 0.223 0.000 1.129 71 F CA -1.247 56.838 58.000 0.142 0.000 0.948 71 F CB 1.727 40.796 39.000 0.114 0.000 1.315 71 F HN 0.445 nan 8.300 nan 0.000 0.447 72 K N 2.252 122.853 120.400 0.335 0.000 2.118 72 K HA 0.694 5.014 4.320 0.000 0.000 0.254 72 K C -1.600 175.264 176.600 0.439 0.000 0.961 72 K CA -0.991 55.436 56.287 0.233 0.000 0.876 72 K CB 2.457 35.044 32.500 0.145 0.000 1.077 72 K HN 0.771 nan 8.250 nan 0.000 0.440 73 L N 2.225 123.666 121.223 0.362 0.000 2.439 73 L HA 0.417 4.757 4.340 0.000 0.000 0.270 73 L C -1.195 175.837 176.870 0.269 0.000 0.972 73 L CA -0.680 54.411 54.840 0.418 0.000 0.836 73 L CB 1.853 44.269 42.059 0.594 0.000 1.255 73 L HN 0.629 nan 8.230 nan 0.000 0.404 74 R N 5.247 125.908 120.500 0.268 0.000 2.387 74 R HA 0.681 5.021 4.340 0.000 0.000 0.314 74 R C -1.394 175.076 176.300 0.284 0.000 0.958 74 R CA -0.498 55.778 56.100 0.293 0.000 0.846 74 R CB 1.302 31.870 30.300 0.446 0.000 1.147 74 R HN 0.589 nan 8.270 nan 0.000 0.447 75 I N 3.276 123.976 120.570 0.216 0.000 2.418 75 I HA 0.258 4.428 4.170 0.000 0.000 0.287 75 I C -0.360 175.857 176.117 0.167 0.000 1.008 75 I CA -0.614 60.782 61.300 0.161 0.000 1.104 75 I CB 1.969 39.997 38.000 0.046 0.000 1.264 75 I HN 0.426 nan 8.210 nan 0.000 0.438 76 Q N 5.795 125.743 119.800 0.246 0.000 2.368 76 Q HA 0.424 4.764 4.340 0.000 0.000 0.256 76 Q C -0.686 175.344 176.000 0.050 0.000 0.980 76 Q CA -0.489 55.394 55.803 0.134 0.000 0.887 76 Q CB 1.473 30.296 28.738 0.141 0.000 1.221 76 Q HN 0.823 nan 8.270 nan 0.000 0.458 77 T N 0.153 114.687 114.554 -0.033 0.000 2.952 77 T HA 0.436 4.786 4.350 0.000 0.000 0.286 77 T C 0.423 175.127 174.700 0.007 0.000 1.024 77 T CA -0.660 61.372 62.100 -0.115 0.000 1.029 77 T CB 1.542 70.192 68.868 -0.363 0.000 1.094 77 T HN 0.377 nan 8.240 nan 0.000 0.515 78 T N 1.759 116.362 114.554 0.080 0.000 2.791 78 T HA 0.072 4.422 4.350 0.000 0.000 0.323 78 T C 0.477 175.252 174.700 0.125 0.000 1.082 78 T CA -0.263 61.910 62.100 0.121 0.000 1.084 78 T CB 0.180 69.147 68.868 0.164 0.000 0.992 78 T HN 0.699 nan 8.240 nan 0.000 0.547 79 E N 0.330 120.582 120.200 0.088 0.000 2.480 79 E HA 0.182 4.532 4.350 0.000 0.000 0.258 79 E C 1.254 177.907 176.600 0.088 0.000 0.984 79 E CA 0.863 57.306 56.400 0.072 0.000 0.930 79 E CB -0.049 29.679 29.700 0.048 0.000 0.936 79 E HN 0.946 nan 8.360 nan 0.000 0.466 80 G N 4.078 112.930 108.800 0.087 0.000 2.179 80 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 80 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 80 G C -0.140 174.835 174.900 0.125 0.000 0.977 80 G CA 0.400 45.548 45.100 0.080 0.000 0.641 80 G HN 0.667 nan 8.290 nan 0.000 0.533 81 Y N 1.776 122.087 120.300 0.019 0.000 2.353 81 Y HA 0.470 5.020 4.550 0.000 0.000 0.340 81 Y C -0.203 175.711 175.900 0.023 0.000 0.972 81 Y CA -1.169 56.944 58.100 0.021 0.000 1.157 81 Y CB 0.892 39.368 38.460 0.026 0.000 1.157 81 Y HN 0.133 nan 8.280 nan 0.000 0.495 82 D N 8.878 129.522 120.400 0.407 0.000 2.348 82 D HA 0.074 4.714 4.640 0.000 0.000 0.253 82 D C -1.663 174.695 176.300 0.097 0.000 1.161 82 D CA -1.901 52.213 54.000 0.189 0.000 0.876 82 D CB 1.965 42.847 40.800 0.136 0.000 1.160 82 D HN 0.381 nan 8.370 nan 0.000 0.459 83 P HA -0.181 nan 4.420 nan 0.000 0.216 83 P C 0.978 178.268 177.300 -0.017 0.000 1.150 83 P CA 1.282 64.333 63.100 -0.080 0.000 0.837 83 P CB 0.437 32.114 31.700 -0.037 0.000 0.786 84 K N -0.270 120.142 120.400 0.019 0.000 2.063 84 K HA -0.159 4.161 4.320 0.000 0.000 0.208 84 K C 1.902 178.540 176.600 0.063 0.000 1.048 84 K CA 1.589 57.894 56.287 0.030 0.000 0.928 84 K CB -0.558 31.956 32.500 0.024 0.000 0.713 84 K HN 0.144 nan 8.250 nan 0.000 0.442 85 D N 0.599 121.064 120.400 0.109 0.000 2.144 85 D HA -0.095 4.545 4.640 0.000 0.000 0.200 85 D C 1.899 178.336 176.300 0.227 0.000 0.978 85 D CA 1.153 55.256 54.000 0.171 0.000 0.833 85 D CB -0.074 40.858 40.800 0.220 0.000 0.961 85 D HN 0.217 nan 8.370 nan 0.000 0.470 86 A N 0.808 123.731 122.820 0.172 0.000 1.933 86 A HA -0.141 4.179 4.320 0.000 0.000 0.218 86 A C 2.103 179.714 177.584 0.045 0.000 1.175 86 A CA 0.852 52.907 52.037 0.030 0.000 0.628 86 A CB -0.563 18.199 19.000 -0.396 0.000 0.814 86 A HN 0.199 nan 8.150 nan 0.000 0.444 87 L N -0.131 121.117 121.223 0.041 0.000 1.948 87 L HA -0.125 4.215 4.340 0.000 0.000 0.212 87 L C 2.205 179.121 176.870 0.076 0.000 1.074 87 L CA 2.389 57.268 54.840 0.065 0.000 0.753 87 L CB -0.885 41.218 42.059 0.073 0.000 0.888 87 L HN 0.359 nan 8.230 nan 0.000 0.432 88 K N -0.446 119.998 120.400 0.073 0.000 2.081 88 K HA -0.321 3.999 4.320 0.000 0.000 0.222 88 K C 1.899 178.542 176.600 0.072 0.000 1.055 88 K CA 2.344 58.672 56.287 0.069 0.000 0.954 88 K CB -0.488 32.052 32.500 0.066 0.000 0.732 88 K HN 0.420 nan 8.250 nan 0.000 0.458 89 N N -0.061 118.694 118.700 0.092 0.000 2.069 89 N HA -0.146 4.594 4.740 0.000 0.000 0.191 89 N C 1.579 177.133 175.510 0.073 0.000 1.031 89 N CA 1.584 54.690 53.050 0.094 0.000 0.852 89 N CB -0.359 38.218 38.487 0.149 0.000 1.018 89 N HN 0.296 nan 8.380 nan 0.000 0.423 90 A N -0.332 122.529 122.820 0.068 0.000 2.014 90 A HA -0.040 4.280 4.320 0.000 0.000 0.218 90 A C 2.515 180.122 177.584 0.038 0.000 1.163 90 A CA 0.727 52.791 52.037 0.045 0.000 0.652 90 A CB -0.882 18.137 19.000 0.032 0.000 0.808 90 A HN 0.404 nan 8.150 nan 0.000 0.449 91 C N -0.149 119.182 119.300 0.051 0.000 2.442 91 C HA -0.111 4.349 4.460 0.000 0.000 0.279 91 C C 2.723 177.736 174.990 0.038 0.000 1.237 91 C CA 1.165 60.212 59.018 0.049 0.000 1.722 91 C CB -1.308 26.472 27.740 0.067 0.000 2.056 91 C HN 0.660 nan 8.230 nan 0.000 0.469 92 N N 0.854 119.578 118.700 0.040 0.000 2.021 92 N HA -0.174 4.566 4.740 0.000 0.000 0.198 92 N C 1.878 177.403 175.510 0.026 0.000 1.041 92 N CA 1.873 54.943 53.050 0.033 0.000 0.862 92 N CB -1.091 37.417 38.487 0.035 0.000 1.048 92 N HN 0.523 nan 8.380 nan 0.000 0.427 93 S N 0.513 116.231 115.700 0.029 0.000 2.421 93 S HA -0.163 4.307 4.470 0.000 0.000 0.239 93 S C 1.938 176.545 174.600 0.012 0.000 1.054 93 S CA 1.019 59.232 58.200 0.022 0.000 1.035 93 S CB -0.236 62.979 63.200 0.025 0.000 0.840 93 S HN 0.285 nan 8.310 nan 0.000 0.475 94 I N 0.367 120.943 120.570 0.010 0.000 2.270 94 I HA -0.039 4.131 4.170 0.000 0.000 0.239 94 I C 2.230 178.349 176.117 0.002 0.000 1.080 94 I CA 0.917 62.216 61.300 -0.001 0.000 1.383 94 I CB -0.329 37.666 38.000 -0.009 0.000 1.097 94 I HN 0.275 nan 8.210 nan 0.000 0.420 95 I N 1.530 122.105 120.570 0.009 0.000 2.181 95 I HA -0.392 3.778 4.170 0.000 0.000 0.247 95 I C 2.081 178.205 176.117 0.011 0.000 1.081 95 I CA 1.603 62.910 61.300 0.011 0.000 1.340 95 I CB -0.637 37.373 38.000 0.018 0.000 1.036 95 I HN 0.401 nan 8.210 nan 0.000 0.417 96 N N 0.910 119.618 118.700 0.013 0.000 2.188 96 N HA -0.154 4.586 4.740 0.000 0.000 0.184 96 N C 1.741 177.258 175.510 0.012 0.000 1.018 96 N CA 1.203 54.261 53.050 0.014 0.000 0.858 96 N CB -0.282 38.215 38.487 0.015 0.000 0.989 96 N HN 0.385 nan 8.380 nan 0.000 0.426 97 K N 0.365 120.770 120.400 0.008 0.000 2.155 97 K HA 0.127 4.447 4.320 0.000 0.000 0.203 97 K C 1.888 178.490 176.600 0.003 0.000 1.052 97 K CA 0.462 56.752 56.287 0.005 0.000 0.948 97 K CB 0.073 32.572 32.500 -0.002 0.000 0.728 97 K HN 0.118 nan 8.250 nan 0.000 0.448 98 L N -0.632 120.591 121.223 -0.000 0.000 2.162 98 L HA -0.008 4.332 4.340 0.000 0.000 0.205 98 L C 2.433 179.308 176.870 0.009 0.000 1.086 98 L CA 0.918 55.755 54.840 -0.004 0.000 0.778 98 L CB -0.755 41.296 42.059 -0.013 0.000 0.928 98 L HN 0.300 nan 8.230 nan 0.000 0.446 99 G N 0.444 109.252 108.800 0.014 0.000 2.553 99 G HA2 -0.362 3.598 3.960 0.000 0.000 0.218 99 G HA3 -0.362 3.598 3.960 0.000 0.000 0.218 99 G C 1.774 176.693 174.900 0.031 0.000 1.195 99 G CA 1.213 46.326 45.100 0.022 0.000 0.779 99 G HN 0.449 nan 8.290 nan 0.000 0.577 100 A N 0.497 123.334 122.820 0.028 0.000 1.881 100 A HA -0.166 4.154 4.320 0.000 0.000 0.219 100 A C 2.478 180.092 177.584 0.049 0.000 1.215 100 A CA 1.954 54.012 52.037 0.034 0.000 0.648 100 A CB -0.783 18.232 19.000 0.026 0.000 0.832 100 A HN 0.418 nan 8.150 nan 0.000 0.455 101 L N -0.957 120.291 121.223 0.041 0.000 2.017 101 L HA -0.211 4.129 4.340 0.000 0.000 0.208 101 L C 2.696 179.625 176.870 0.098 0.000 1.073 101 L CA 2.246 57.119 54.840 0.055 0.000 0.745 101 L CB -0.400 41.665 42.059 0.010 0.000 0.894 101 L HN 0.557 nan 8.230 nan 0.000 0.432 102 K N -0.876 119.567 120.400 0.072 0.000 2.020 102 K HA -0.219 4.101 4.320 0.000 0.000 0.212 102 K C 1.818 178.505 176.600 0.145 0.000 1.050 102 K CA 2.306 58.654 56.287 0.102 0.000 0.929 102 K CB -0.158 32.376 32.500 0.056 0.000 0.714 102 K HN 0.359 nan 8.250 nan 0.000 0.443 103 T N 1.079 115.691 114.554 0.098 0.000 2.520 103 T HA -0.159 4.191 4.350 0.000 0.000 0.258 103 T C 1.512 176.274 174.700 0.103 0.000 1.125 103 T CA 1.886 64.036 62.100 0.084 0.000 1.206 103 T CB -0.764 68.138 68.868 0.057 0.000 0.864 103 T HN 0.342 nan 8.240 nan 0.000 0.400 104 N N 0.654 119.413 118.700 0.098 0.000 2.182 104 N HA -0.174 4.566 4.740 0.000 0.000 0.200 104 N C 1.336 176.940 175.510 0.156 0.000 0.989 104 N CA 1.563 54.677 53.050 0.106 0.000 0.907 104 N CB -0.500 38.048 38.487 0.102 0.000 1.048 104 N HN 0.355 nan 8.380 nan 0.000 0.494 105 F N 1.397 121.376 119.950 0.049 0.000 2.025 105 F HA -0.032 4.495 4.527 0.000 0.000 0.291 105 F C 2.160 178.036 175.800 0.127 0.000 1.150 105 F CA 1.358 59.402 58.000 0.073 0.000 1.166 105 F CB -0.697 38.321 39.000 0.030 0.000 0.995 105 F HN 0.009 nan 8.300 nan 0.000 0.474 106 E N -0.336 119.872 120.200 0.012 0.000 2.136 106 E HA -0.280 4.070 4.350 0.000 0.000 0.202 106 E C 2.066 178.655 176.600 -0.019 0.000 1.019 106 E CA 2.126 58.499 56.400 -0.044 0.000 0.819 106 E CB -0.519 29.219 29.700 0.064 0.000 0.739 106 E HN 0.449 nan 8.360 nan 0.000 0.458 107 T N 0.918 115.473 114.554 0.001 0.000 2.516 107 T HA -0.209 4.141 4.350 0.000 0.000 0.261 107 T C 1.641 176.317 174.700 -0.041 0.000 1.130 107 T CA 1.354 63.451 62.100 -0.006 0.000 1.193 107 T CB -0.274 68.603 68.868 0.016 0.000 0.864 107 T HN 0.172 nan 8.240 nan 0.000 0.410 108 E N 0.004 120.181 120.200 -0.038 0.000 2.333 108 E HA -0.124 4.226 4.350 0.000 0.000 0.198 108 E C 1.863 178.402 176.600 -0.102 0.000 1.007 108 E CA 0.446 56.819 56.400 -0.046 0.000 0.845 108 E CB -0.166 29.547 29.700 0.022 0.000 0.766 108 E HN 0.685 nan 8.360 nan 0.000 0.507 109 W N 1.658 122.705 121.300 -0.422 0.000 2.409 109 W HA -0.145 4.515 4.660 0.000 0.000 0.299 109 W C 1.246 177.620 176.519 -0.242 0.000 1.203 109 W CA 0.814 57.878 57.345 -0.468 0.000 1.298 109 W CB -0.052 28.935 29.460 -0.790 0.000 1.127 109 W HN 0.039 nan 8.180 nan 0.000 0.528 110 N N 1.223 119.764 118.700 -0.264 0.000 2.188 110 N HA -0.156 4.584 4.740 0.000 0.000 0.184 110 N C 1.862 177.197 175.510 -0.292 0.000 1.018 110 N CA 1.825 54.703 53.050 -0.287 0.000 0.858 110 N CB -1.030 37.396 38.487 -0.103 0.000 0.989 110 N HN 0.269 nan 8.380 nan 0.000 0.426 111 L N 0.383 121.477 121.223 -0.216 0.000 2.353 111 L HA -0.083 4.257 4.340 0.000 0.000 0.220 111 L C 0.336 177.073 176.870 -0.222 0.000 1.133 111 L CA 0.671 55.407 54.840 -0.173 0.000 0.798 111 L CB -0.430 41.562 42.059 -0.112 0.000 0.922 111 L HN 0.073 nan 8.230 nan 0.000 0.445 112 Q N 1.069 120.658 119.800 -0.350 0.000 2.293 112 Q HA 0.221 4.561 4.340 0.000 0.000 0.251 112 Q C -0.090 175.676 176.000 -0.390 0.000 0.930 112 Q CA 0.188 55.765 55.803 -0.376 0.000 0.893 112 Q CB 1.173 29.609 28.738 -0.503 0.000 1.215 112 Q HN 0.061 nan 8.270 nan 0.000 0.425 113 T N 2.793 117.192 114.554 -0.258 0.000 2.801 113 T HA 0.758 5.108 4.350 0.000 0.000 0.306 113 T C 0.329 174.923 174.700 -0.177 0.000 1.020 113 T CA -0.541 61.435 62.100 -0.206 0.000 0.948 113 T CB 0.274 69.063 68.868 -0.132 0.000 0.962 113 T HN 0.515 nan 8.240 nan 0.000 0.465 114 L N 0.000 121.109 121.223 -0.190 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.777 54.840 -0.105 0.000 0.813 114 L CB 0.000 42.022 42.059 -0.061 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502