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 3lin_1_F DATA FIRST_RESID 1 DATA SEQUENCE PVIPLDPARR PVIKAQVDTQ TSHPKTIEAL LDTGADMTVI PIALFSSNTP DATA SEQUENCE LKNTSVLGAG GQTQDHFKLT SLPVLIRLPF RTTPIVLTSC LVDTKNNWAI DATA SEQUENCE IGRDALQQCQ GVLYLP 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.191 177.300 -0.181 0.000 1.155 1 P CA 0.000 62.937 63.100 -0.272 0.000 0.800 1 P CB 0.000 31.572 31.700 -0.214 0.000 0.726 2 V N 1.472 121.324 119.914 -0.104 0.000 2.455 2 V HA 0.272 4.392 4.120 0.000 0.000 0.273 2 V C 0.545 176.619 176.094 -0.034 0.000 1.045 2 V CA -0.091 62.177 62.300 -0.054 0.000 0.976 2 V CB 0.533 32.340 31.823 -0.028 0.000 0.993 2 V HN 0.330 nan 8.190 nan 0.000 0.475 3 I N 8.122 128.681 120.570 -0.018 0.000 2.330 3 I HA 0.394 4.564 4.170 0.000 0.000 0.289 3 I C -1.768 174.354 176.117 0.009 0.000 1.001 3 I CA -1.531 59.768 61.300 -0.002 0.000 1.193 3 I CB 1.599 39.602 38.000 0.005 0.000 1.345 3 I HN 0.526 nan 8.210 nan 0.000 0.461 4 P HA 0.409 nan 4.420 nan 0.000 0.276 4 P C -1.097 176.207 177.300 0.006 0.000 1.244 4 P CA -0.426 62.679 63.100 0.009 0.000 0.801 4 P CB 1.122 32.826 31.700 0.008 0.000 1.006 5 L N 1.705 122.929 121.223 0.002 0.000 2.333 5 L HA 0.525 4.865 4.340 0.000 0.000 0.280 5 L C -0.211 176.657 176.870 -0.005 0.000 1.004 5 L CA -0.451 54.388 54.840 -0.002 0.000 0.820 5 L CB 1.763 43.818 42.059 -0.006 0.000 1.247 5 L HN 0.393 nan 8.230 nan 0.000 0.416 6 D N 4.342 124.740 120.400 -0.003 0.000 2.970 6 D HA 0.304 4.945 4.640 0.000 0.000 0.230 6 D C -2.047 174.250 176.300 -0.004 0.000 1.276 6 D CA -1.638 52.359 54.000 -0.004 0.000 0.910 6 D CB 2.746 43.545 40.800 -0.000 0.000 1.590 6 D HN 0.120 nan 8.370 nan 0.000 0.551 7 P HA -0.027 nan 4.420 nan 0.000 0.222 7 P C 0.892 178.190 177.300 -0.004 0.000 1.147 7 P CA 0.659 63.755 63.100 -0.007 0.000 0.790 7 P CB 0.270 31.966 31.700 -0.008 0.000 0.780 8 A N -0.636 122.184 122.820 -0.001 0.000 2.123 8 A HA 0.076 4.396 4.320 0.000 0.000 0.214 8 A C 1.297 178.883 177.584 0.004 0.000 1.152 8 A CA 0.310 52.349 52.037 0.002 0.000 0.728 8 A CB -0.352 18.649 19.000 0.003 0.000 0.814 8 A HN 0.102 nan 8.150 nan 0.000 0.464 9 R N 0.275 120.777 120.500 0.004 0.000 2.451 9 R HA 0.368 4.708 4.340 0.000 0.000 0.307 9 R C -0.765 175.539 176.300 0.006 0.000 0.965 9 R CA -0.482 55.623 56.100 0.007 0.000 0.865 9 R CB 1.314 31.619 30.300 0.009 0.000 1.174 9 R HN 0.279 nan 8.270 nan 0.000 0.455 10 R N 3.546 124.050 120.500 0.007 0.000 2.489 10 R HA 0.089 4.429 4.340 0.000 0.000 0.287 10 R C -1.934 174.373 176.300 0.011 0.000 1.053 10 R CA -1.213 54.889 56.100 0.004 0.000 1.036 10 R CB 0.375 30.677 30.300 0.005 0.000 0.966 10 R HN 0.343 nan 8.270 nan 0.000 0.432 11 P HA 0.038 nan 4.420 nan 0.000 0.279 11 P C -0.514 176.802 177.300 0.027 0.000 1.318 11 P CA -0.121 62.990 63.100 0.019 0.000 0.819 11 P CB 0.700 32.410 31.700 0.016 0.000 0.927 12 V N 2.415 122.348 119.914 0.033 0.000 2.919 12 V HA 0.710 4.830 4.120 0.000 0.000 0.316 12 V C -0.381 175.743 176.094 0.051 0.000 1.077 12 V CA -1.186 61.138 62.300 0.040 0.000 0.977 12 V CB 2.526 34.372 31.823 0.038 0.000 1.039 12 V HN 0.413 nan 8.190 nan 0.000 0.441 13 I N 1.353 121.956 120.570 0.054 0.000 2.722 13 I HA 0.494 4.664 4.170 0.000 0.000 0.295 13 I C -0.563 175.579 176.117 0.041 0.000 1.161 13 I CA -0.832 60.506 61.300 0.063 0.000 1.032 13 I CB 2.235 40.290 38.000 0.091 0.000 1.244 13 I HN 0.699 nan 8.210 nan 0.000 0.421 14 K N 5.523 125.943 120.400 0.032 0.000 2.322 14 K HA 0.607 4.927 4.320 0.000 0.000 0.283 14 K C -0.729 175.866 176.600 -0.009 0.000 1.042 14 K CA -0.280 56.015 56.287 0.014 0.000 0.958 14 K CB 1.524 34.032 32.500 0.012 0.000 0.984 14 K HN 0.605 nan 8.250 nan 0.000 0.473 15 A N 2.914 125.725 122.820 -0.016 0.000 2.414 15 A HA 0.259 4.580 4.320 0.000 0.000 0.306 15 A C -0.843 176.718 177.584 -0.039 0.000 1.054 15 A CA -0.689 51.324 52.037 -0.040 0.000 0.724 15 A CB 1.411 20.392 19.000 -0.031 0.000 1.267 15 A HN 0.695 nan 8.150 nan 0.000 0.418 16 Q N 1.763 121.532 119.800 -0.051 0.000 2.349 16 Q HA 0.506 4.846 4.340 0.000 0.000 0.254 16 Q C -1.366 174.602 176.000 -0.054 0.000 0.980 16 Q CA -0.190 55.585 55.803 -0.047 0.000 0.924 16 Q CB 0.824 29.536 28.738 -0.043 0.000 1.209 16 Q HN 0.542 nan 8.270 nan 0.000 0.445 17 V N 4.179 124.055 119.914 -0.063 0.000 2.398 17 V HA 0.206 4.326 4.120 0.000 0.000 0.286 17 V C -0.483 175.548 176.094 -0.106 0.000 1.026 17 V CA -0.680 61.575 62.300 -0.075 0.000 0.868 17 V CB 1.679 33.458 31.823 -0.073 0.000 0.982 17 V HN 0.708 nan 8.190 nan 0.000 0.443 18 D N 2.980 123.324 120.400 -0.094 0.000 2.440 18 D HA 0.259 4.899 4.640 0.000 0.000 0.239 18 D C 1.105 177.331 176.300 -0.124 0.000 1.084 18 D CA -0.148 53.788 54.000 -0.106 0.000 0.843 18 D CB 1.977 42.741 40.800 -0.059 0.000 1.097 18 D HN 0.624 nan 8.370 nan 0.000 0.531 19 T N 0.626 115.048 114.554 -0.220 0.000 3.113 19 T HA -0.058 4.292 4.350 0.000 0.000 0.256 19 T C 0.878 175.519 174.700 -0.099 0.000 1.131 19 T CA 0.323 62.267 62.100 -0.260 0.000 1.074 19 T CB -0.309 68.096 68.868 -0.771 0.000 0.944 19 T HN 0.615 nan 8.240 nan 0.000 0.516 20 Q N 0.055 119.809 119.800 -0.076 0.000 2.406 20 Q HA -0.223 4.117 4.340 0.000 0.000 0.236 20 Q C 1.021 177.020 176.000 -0.001 0.000 0.799 20 Q CA 1.441 57.232 55.803 -0.020 0.000 1.286 20 Q CB -2.804 25.940 28.738 0.009 0.000 1.615 20 Q HN 0.881 nan 8.270 nan 0.000 0.621 21 T N -3.851 110.686 114.554 -0.027 0.000 3.010 21 T HA 0.349 4.699 4.350 0.000 0.000 0.257 21 T C 0.417 175.113 174.700 -0.006 0.000 1.020 21 T CA 0.551 62.663 62.100 0.021 0.000 0.938 21 T CB 0.625 69.562 68.868 0.116 0.000 1.049 21 T HN 0.367 nan 8.240 nan 0.000 0.522 22 S N 0.637 116.303 115.700 -0.056 0.000 2.615 22 S HA 0.460 4.930 4.470 0.000 0.000 0.268 22 S C -0.742 173.816 174.600 -0.069 0.000 1.146 22 S CA -1.237 56.933 58.200 -0.049 0.000 0.818 22 S CB 0.536 63.668 63.200 -0.113 0.000 1.111 22 S HN 0.736 nan 8.310 nan 0.000 0.465 23 H N -0.597 118.442 119.070 -0.052 0.000 2.822 23 H HA 0.563 5.119 4.556 0.000 0.000 0.373 23 H C -2.911 172.378 175.328 -0.066 0.000 1.223 23 H CA -1.020 54.998 56.048 -0.049 0.000 1.436 23 H CB -0.887 28.854 29.762 -0.035 0.000 1.439 23 H HN 0.316 nan 8.280 nan 0.000 0.618 24 P HA 0.141 nan 4.420 nan 0.000 0.269 24 P C -0.939 176.303 177.300 -0.097 0.000 1.215 24 P CA -0.064 62.996 63.100 -0.067 0.000 0.780 24 P CB 0.585 32.278 31.700 -0.012 0.000 0.898 25 K N 0.498 120.826 120.400 -0.119 0.000 2.498 25 K HA 0.442 4.762 4.320 0.000 0.000 0.254 25 K C -0.765 175.798 176.600 -0.063 0.000 0.933 25 K CA -0.655 55.568 56.287 -0.106 0.000 0.806 25 K CB 1.793 34.192 32.500 -0.169 0.000 1.301 25 K HN 0.223 nan 8.250 nan 0.000 0.432 26 T N 3.065 117.598 114.554 -0.036 0.000 2.780 26 T HA 0.453 4.803 4.350 0.000 0.000 0.294 26 T C 0.075 174.764 174.700 -0.018 0.000 0.949 26 T CA -0.400 61.686 62.100 -0.022 0.000 1.074 26 T CB -0.127 68.736 68.868 -0.008 0.000 0.910 26 T HN 0.491 nan 8.240 nan 0.000 0.501 27 I N -0.229 120.334 120.570 -0.011 0.000 3.042 27 I HA 0.709 4.879 4.170 0.000 0.000 0.310 27 I C -0.576 175.552 176.117 0.017 0.000 1.117 27 I CA -1.281 60.022 61.300 0.005 0.000 1.003 27 I CB 2.367 40.372 38.000 0.009 0.000 1.228 27 I HN 0.382 nan 8.210 nan 0.000 0.443 28 E N 2.473 122.692 120.200 0.032 0.000 2.134 28 E HA 0.709 5.059 4.350 0.000 0.000 0.278 28 E C -1.117 175.514 176.600 0.052 0.000 0.959 28 E CA -0.788 55.635 56.400 0.038 0.000 0.783 28 E CB 1.536 31.260 29.700 0.041 0.000 1.095 28 E HN 0.846 nan 8.360 nan 0.000 0.399 29 A N 4.188 127.037 122.820 0.048 0.000 2.355 29 A HA 0.470 4.790 4.320 0.000 0.000 0.324 29 A C -1.146 176.468 177.584 0.049 0.000 1.117 29 A CA -0.792 51.279 52.037 0.057 0.000 0.785 29 A CB 1.086 20.117 19.000 0.052 0.000 1.254 29 A HN 0.642 nan 8.150 nan 0.000 0.453 30 L N 2.015 123.265 121.223 0.045 0.000 2.367 30 L HA 0.398 4.738 4.340 0.000 0.000 0.275 30 L C -0.582 176.302 176.870 0.023 0.000 1.129 30 L CA 0.169 55.023 54.840 0.024 0.000 0.839 30 L CB 0.184 42.241 42.059 -0.004 0.000 1.133 30 L HN 0.569 nan 8.230 nan 0.000 0.453 31 L N 5.373 126.611 121.223 0.025 0.000 2.283 31 L HA 0.316 4.656 4.340 0.000 0.000 0.287 31 L C -0.534 176.342 176.870 0.011 0.000 1.073 31 L CA -0.059 54.798 54.840 0.028 0.000 0.822 31 L CB 0.540 42.624 42.059 0.041 0.000 1.186 31 L HN 0.606 nan 8.230 nan 0.000 0.436 32 D N 1.534 121.937 120.400 0.005 0.000 2.389 32 D HA 0.099 4.740 4.640 0.000 0.000 0.256 32 D C 1.065 177.359 176.300 -0.009 0.000 1.239 32 D CA -0.382 53.611 54.000 -0.011 0.000 0.925 32 D CB 1.418 42.202 40.800 -0.028 0.000 1.145 32 D HN 0.540 nan 8.370 nan 0.000 0.542 33 T N -0.288 114.262 114.554 -0.007 0.000 3.035 33 T HA 0.031 4.381 4.350 0.000 0.000 0.268 33 T C 1.752 176.443 174.700 -0.015 0.000 1.109 33 T CA 0.757 62.854 62.100 -0.006 0.000 1.119 33 T CB 0.017 68.884 68.868 -0.002 0.000 0.900 33 T HN 0.298 nan 8.240 nan 0.000 0.503 34 G N 0.743 109.528 108.800 -0.024 0.000 2.848 34 G HA2 0.453 4.413 3.960 0.000 0.000 0.208 34 G HA3 0.453 4.413 3.960 0.000 0.000 0.208 34 G C 0.464 175.340 174.900 -0.040 0.000 1.152 34 G CA 0.045 45.126 45.100 -0.032 0.000 0.789 34 G HN 0.827 nan 8.290 nan 0.000 0.531 35 A N 0.459 123.257 122.820 -0.037 0.000 2.260 35 A HA 0.528 4.848 4.320 0.000 0.000 0.314 35 A C 0.656 178.219 177.584 -0.035 0.000 1.257 35 A CA -0.507 51.502 52.037 -0.046 0.000 0.871 35 A CB 0.831 19.803 19.000 -0.046 0.000 1.166 35 A HN 0.051 nan 8.150 nan 0.000 0.522 36 D N 1.777 122.152 120.400 -0.043 0.000 2.178 36 D HA -0.011 4.629 4.640 0.000 0.000 0.202 36 D C 0.454 176.738 176.300 -0.026 0.000 0.974 36 D CA 1.662 55.643 54.000 -0.032 0.000 0.841 36 D CB 0.049 40.826 40.800 -0.038 0.000 0.953 36 D HN 0.622 nan 8.370 nan 0.000 0.478 37 M N -0.624 118.955 119.600 -0.035 0.000 2.572 37 M HA 0.232 4.712 4.480 0.000 0.000 0.299 37 M C -0.321 175.972 176.300 -0.011 0.000 1.205 37 M CA -0.503 54.784 55.300 -0.021 0.000 0.876 37 M CB 2.779 35.360 32.600 -0.033 0.000 1.728 37 M HN -0.390 nan 8.290 nan 0.000 0.458 38 T N 1.691 116.254 114.554 0.015 0.000 2.913 38 T HA 0.409 4.760 4.350 0.000 0.000 0.297 38 T C -0.508 174.234 174.700 0.071 0.000 1.029 38 T CA -0.290 61.835 62.100 0.040 0.000 1.104 38 T CB 0.627 69.522 68.868 0.046 0.000 0.964 38 T HN 0.373 nan 8.240 nan 0.000 0.532 39 V N 4.975 124.956 119.914 0.110 0.000 2.487 39 V HA 0.583 4.703 4.120 0.000 0.000 0.298 39 V C 0.067 176.285 176.094 0.207 0.000 1.028 39 V CA -0.870 61.549 62.300 0.199 0.000 0.860 39 V CB 1.265 33.263 31.823 0.292 0.000 0.991 39 V HN 0.791 nan 8.190 nan 0.000 0.427 40 I N 2.794 123.500 120.570 0.227 0.000 2.740 40 I HA 0.779 4.949 4.170 0.000 0.000 0.303 40 I C -2.760 173.492 176.117 0.226 0.000 1.044 40 I CA -2.819 58.600 61.300 0.200 0.000 1.064 40 I CB 2.818 40.916 38.000 0.164 0.000 1.249 40 I HN 0.329 nan 8.210 nan 0.000 0.433 41 P HA 0.168 nan 4.420 nan 0.000 0.279 41 P C 0.594 178.012 177.300 0.196 0.000 1.239 41 P CA -0.171 63.003 63.100 0.124 0.000 0.789 41 P CB 1.662 33.398 31.700 0.060 0.000 0.933 42 I N 3.192 123.847 120.570 0.142 0.000 2.423 42 I HA -0.244 3.926 4.170 0.000 0.000 0.254 42 I C 2.045 178.295 176.117 0.222 0.000 1.151 42 I CA 1.550 62.969 61.300 0.199 0.000 1.421 42 I CB -0.802 37.200 38.000 0.003 0.000 1.079 42 I HN 0.419 nan 8.210 nan 0.000 0.431 43 A N 0.121 122.997 122.820 0.092 0.000 2.076 43 A HA -0.155 4.165 4.320 0.000 0.000 0.220 43 A C 2.179 179.775 177.584 0.020 0.000 1.160 43 A CA 1.600 53.661 52.037 0.040 0.000 0.653 43 A CB -1.015 17.982 19.000 -0.005 0.000 0.801 43 A HN 0.546 nan 8.150 nan 0.000 0.455 44 L N -1.903 119.322 121.223 0.004 0.000 2.465 44 L HA 0.059 4.399 4.340 0.000 0.000 0.224 44 L C 0.021 176.706 176.870 -0.308 0.000 1.145 44 L CA -0.001 54.720 54.840 -0.198 0.000 0.834 44 L CB -0.240 41.617 42.059 -0.337 0.000 0.944 44 L HN 0.291 nan 8.230 nan 0.000 0.451 45 F N -0.553 119.373 119.950 -0.040 0.000 2.425 45 F HA 0.236 4.763 4.527 0.000 0.000 0.331 45 F C 1.034 176.816 175.800 -0.030 0.000 1.085 45 F CA -1.116 56.866 58.000 -0.030 0.000 1.028 45 F CB 1.201 40.190 39.000 -0.019 0.000 1.177 45 F HN -0.196 nan 8.300 nan 0.000 0.487 46 S N 0.126 115.925 115.700 0.165 0.000 2.537 46 S HA 0.030 4.500 4.470 0.000 0.000 0.286 46 S C 0.986 175.646 174.600 0.100 0.000 1.299 46 S CA -0.244 58.014 58.200 0.097 0.000 1.067 46 S CB 0.793 64.037 63.200 0.072 0.000 0.864 46 S HN 0.749 nan 8.310 nan 0.000 0.494 47 S N 2.322 118.057 115.700 0.058 0.000 2.559 47 S HA -0.148 4.322 4.470 0.000 0.000 0.250 47 S C 0.615 175.226 174.600 0.019 0.000 0.977 47 S CA 0.949 59.169 58.200 0.033 0.000 0.958 47 S CB -0.686 62.523 63.200 0.016 0.000 0.751 47 S HN 0.815 nan 8.310 nan 0.000 0.534 48 N N 0.618 119.336 118.700 0.029 0.000 2.205 48 N HA 0.134 4.874 4.740 0.000 0.000 0.201 48 N C -0.518 175.003 175.510 0.018 0.000 1.128 48 N CA 0.094 53.154 53.050 0.018 0.000 0.867 48 N CB 0.256 38.755 38.487 0.020 0.000 0.996 48 N HN 0.283 nan 8.380 nan 0.000 0.503 49 T N 3.110 117.681 114.554 0.029 0.000 2.888 49 T HA 0.177 4.527 4.350 0.000 0.000 0.301 49 T C -2.297 172.382 174.700 -0.035 0.000 1.001 49 T CA -0.772 61.342 62.100 0.024 0.000 1.147 49 T CB 0.796 69.715 68.868 0.085 0.000 0.931 49 T HN 0.088 nan 8.240 nan 0.000 0.541 50 P HA 0.426 nan 4.420 nan 0.000 0.282 50 P C -1.038 176.219 177.300 -0.071 0.000 1.274 50 P CA -0.282 62.795 63.100 -0.038 0.000 0.770 50 P CB 0.447 32.138 31.700 -0.015 0.000 0.867 51 L N 3.063 124.230 121.223 -0.093 0.000 2.401 51 L HA 0.448 4.788 4.340 0.000 0.000 0.266 51 L C 0.327 177.157 176.870 -0.067 0.000 0.991 51 L CA -1.108 53.663 54.840 -0.115 0.000 0.818 51 L CB 2.433 44.364 42.059 -0.214 0.000 1.321 51 L HN 0.174 nan 8.230 nan 0.000 0.413 52 K N 2.018 122.392 120.400 -0.044 0.000 2.249 52 K HA 0.267 4.588 4.320 0.000 0.000 0.280 52 K C -0.449 176.147 176.600 -0.006 0.000 1.033 52 K CA -0.663 55.613 56.287 -0.018 0.000 0.946 52 K CB 0.413 32.909 32.500 -0.007 0.000 1.005 52 K HN 0.370 nan 8.250 nan 0.000 0.469 53 N N 1.321 120.022 118.700 0.002 0.000 2.453 53 N HA 0.090 4.830 4.740 0.000 0.000 0.253 53 N C -0.202 175.326 175.510 0.030 0.000 1.252 53 N CA 0.371 53.432 53.050 0.018 0.000 0.917 53 N CB 1.208 39.705 38.487 0.015 0.000 1.117 53 N HN 0.534 nan 8.380 nan 0.000 0.442 54 T N -0.970 113.616 114.554 0.053 0.000 2.802 54 T HA 0.298 4.648 4.350 0.000 0.000 0.311 54 T C -1.362 173.380 174.700 0.070 0.000 1.405 54 T CA -0.540 61.592 62.100 0.052 0.000 1.016 54 T CB 1.152 70.050 68.868 0.050 0.000 1.352 54 T HN 0.312 nan 8.240 nan 0.000 0.498 55 S N 1.364 117.090 115.700 0.044 0.000 2.454 55 S HA 0.793 5.263 4.470 0.000 0.000 0.306 55 S C -1.061 173.549 174.600 0.017 0.000 1.100 55 S CA -0.446 57.779 58.200 0.041 0.000 1.087 55 S CB 0.761 63.973 63.200 0.020 0.000 1.019 55 S HN 0.558 nan 8.310 nan 0.000 0.480 56 V N 5.281 125.209 119.914 0.024 0.000 2.656 56 V HA 0.528 4.648 4.120 0.000 0.000 0.307 56 V C -0.627 175.443 176.094 -0.039 0.000 1.051 56 V CA -0.851 61.413 62.300 -0.061 0.000 0.893 56 V CB 1.762 33.449 31.823 -0.227 0.000 0.999 56 V HN 0.816 nan 8.190 nan 0.000 0.426 57 L N 4.614 125.800 121.223 -0.061 0.000 2.257 57 L HA 0.873 5.213 4.340 0.000 0.000 0.290 57 L C 0.403 177.244 176.870 -0.048 0.000 1.044 57 L CA 0.745 55.562 54.840 -0.039 0.000 0.810 57 L CB 0.733 42.772 42.059 -0.035 0.000 1.193 57 L HN 0.760 nan 8.230 nan 0.000 0.425 58 G N 2.345 111.136 108.800 -0.016 0.000 3.140 58 G HA2 0.563 4.523 3.960 0.000 0.000 0.271 58 G HA3 0.563 4.523 3.960 0.000 0.000 0.271 58 G C 0.364 175.264 174.900 -0.000 0.000 1.370 58 G CA -0.188 44.908 45.100 -0.008 0.000 1.014 58 G HN 0.796 nan 8.290 nan 0.000 0.541 59 A N -0.799 122.021 122.820 -0.001 0.000 1.933 59 A HA 0.151 4.472 4.320 0.000 0.000 0.218 59 A C 2.212 179.806 177.584 0.016 0.000 1.175 59 A CA 2.177 54.214 52.037 -0.000 0.000 0.628 59 A CB -0.823 18.171 19.000 -0.010 0.000 0.814 59 A HN 1.376 nan 8.150 nan 0.000 0.444 60 G N -0.892 107.930 108.800 0.038 0.000 3.295 60 G HA2 0.470 4.430 3.960 0.000 0.000 0.231 60 G HA3 0.470 4.430 3.960 0.000 0.000 0.231 60 G C 0.895 175.809 174.900 0.024 0.000 1.277 60 G CA 0.597 45.722 45.100 0.042 0.000 1.013 60 G HN 1.547 nan 8.290 nan 0.000 0.509 61 G N -0.592 108.217 108.800 0.014 0.000 2.741 61 G HA2 -0.214 3.746 3.960 0.000 0.000 0.222 61 G HA3 -0.214 3.746 3.960 0.000 0.000 0.222 61 G C -0.265 174.635 174.900 -0.000 0.000 1.364 61 G CA -0.766 44.336 45.100 0.003 0.000 0.866 61 G HN 0.382 nan 8.290 nan 0.000 0.555 62 Q N 0.267 120.062 119.800 -0.008 0.000 2.296 62 Q HA 0.475 4.815 4.340 0.000 0.000 0.262 62 Q C 0.389 176.375 176.000 -0.023 0.000 0.981 62 Q CA 0.564 56.362 55.803 -0.008 0.000 0.905 62 Q CB 1.168 29.902 28.738 -0.008 0.000 1.186 62 Q HN 0.707 nan 8.270 nan 0.000 0.399 63 T N 2.435 116.984 114.554 -0.009 0.000 2.823 63 T HA 0.290 4.640 4.350 0.000 0.000 0.279 63 T C 0.505 175.225 174.700 0.034 0.000 0.998 63 T CA -0.367 61.702 62.100 -0.052 0.000 0.994 63 T CB 0.719 69.477 68.868 -0.183 0.000 0.960 63 T HN 0.463 nan 8.240 nan 0.000 0.448 64 Q N 2.562 122.371 119.800 0.016 0.000 2.316 64 Q HA 0.134 4.474 4.340 0.000 0.000 0.235 64 Q C 0.282 176.327 176.000 0.075 0.000 0.863 64 Q CA 0.398 56.231 55.803 0.049 0.000 0.939 64 Q CB 0.651 29.404 28.738 0.025 0.000 1.108 64 Q HN 0.654 nan 8.270 nan 0.000 0.522 65 D N -0.295 120.156 120.400 0.085 0.000 2.380 65 D HA 0.030 4.670 4.640 0.000 0.000 0.212 65 D C 1.498 177.891 176.300 0.155 0.000 1.021 65 D CA 0.479 54.550 54.000 0.117 0.000 0.884 65 D CB 0.084 40.966 40.800 0.137 0.000 1.001 65 D HN 0.329 nan 8.370 nan 0.000 0.506 66 H N -1.149 117.896 119.070 -0.042 0.000 2.423 66 H HA 0.050 4.606 4.556 0.000 0.000 0.297 66 H C -0.013 175.031 175.328 -0.474 0.000 1.075 66 H CA 0.409 56.291 56.048 -0.276 0.000 1.342 66 H CB 0.309 29.862 29.762 -0.349 0.000 1.395 66 H HN 0.090 nan 8.280 nan 0.000 0.530 67 F N 0.347 120.378 119.950 0.135 0.000 2.538 67 F HA 0.399 4.927 4.527 0.000 0.000 0.325 67 F C 0.246 176.061 175.800 0.026 0.000 1.066 67 F CA -1.006 57.040 58.000 0.077 0.000 0.946 67 F CB 1.624 40.678 39.000 0.091 0.000 1.199 67 F HN -0.253 nan 8.300 nan 0.000 0.473 68 K N 1.219 121.727 120.400 0.179 0.000 2.378 68 K HA 0.662 4.982 4.320 0.000 0.000 0.244 68 K C -1.760 174.877 176.600 0.061 0.000 1.039 68 K CA -1.026 55.298 56.287 0.062 0.000 0.863 68 K CB 2.552 35.024 32.500 -0.047 0.000 1.326 68 K HN 0.376 nan 8.250 nan 0.000 0.460 69 L N 1.097 122.326 121.223 0.011 0.000 2.346 69 L HA 0.347 4.687 4.340 0.000 0.000 0.276 69 L C -0.022 176.835 176.870 -0.023 0.000 1.006 69 L CA -0.130 54.718 54.840 0.014 0.000 0.817 69 L CB 1.546 43.615 42.059 0.017 0.000 1.272 69 L HN 0.787 nan 8.230 nan 0.000 0.421 70 T N 0.005 114.562 114.554 0.006 0.000 2.856 70 T HA 0.203 4.553 4.350 0.000 0.000 0.306 70 T C 1.000 175.712 174.700 0.020 0.000 1.062 70 T CA 0.048 62.157 62.100 0.015 0.000 1.083 70 T CB 0.371 69.313 68.868 0.124 0.000 0.984 70 T HN 0.655 nan 8.240 nan 0.000 0.542 71 S N 0.742 116.459 115.700 0.028 0.000 2.503 71 S HA 0.288 4.758 4.470 0.000 0.000 0.215 71 S C 0.423 175.052 174.600 0.048 0.000 1.003 71 S CA -0.476 57.742 58.200 0.030 0.000 0.910 71 S CB -0.004 63.206 63.200 0.017 0.000 0.790 71 S HN 0.531 nan 8.310 nan 0.000 0.514 72 L N 1.730 122.999 121.223 0.076 0.000 2.354 72 L HA 0.581 4.921 4.340 0.000 0.000 0.264 72 L C -2.893 174.022 176.870 0.075 0.000 1.008 72 L CA -2.121 52.761 54.840 0.070 0.000 0.819 72 L CB 1.734 43.840 42.059 0.078 0.000 1.339 72 L HN -0.123 nan 8.230 nan 0.000 0.420 73 P HA 0.081 nan 4.420 nan 0.000 0.269 73 P C -0.800 176.530 177.300 0.049 0.000 1.217 73 P CA -0.134 62.994 63.100 0.047 0.000 0.783 73 P CB 0.669 32.387 31.700 0.030 0.000 0.898 74 V N 3.252 123.193 119.914 0.045 0.000 2.555 74 V HA 0.356 4.476 4.120 0.000 0.000 0.302 74 V C 0.052 176.150 176.094 0.007 0.000 1.038 74 V CA -0.576 61.740 62.300 0.028 0.000 0.887 74 V CB 1.397 33.251 31.823 0.051 0.000 0.991 74 V HN 0.306 nan 8.190 nan 0.000 0.434 75 L N 5.770 126.986 121.223 -0.013 0.000 2.307 75 L HA 0.655 4.995 4.340 0.000 0.000 0.284 75 L C -0.760 176.092 176.870 -0.030 0.000 1.023 75 L CA -0.434 54.395 54.840 -0.018 0.000 0.810 75 L CB 1.711 43.758 42.059 -0.020 0.000 1.231 75 L HN 0.462 nan 8.230 nan 0.000 0.423 76 I N 3.153 123.705 120.570 -0.031 0.000 2.466 76 I HA 0.435 4.605 4.170 0.000 0.000 0.289 76 I C -0.310 175.768 176.117 -0.065 0.000 1.026 76 I CA -0.534 60.740 61.300 -0.043 0.000 1.078 76 I CB 2.365 40.346 38.000 -0.032 0.000 1.249 76 I HN 0.560 nan 8.210 nan 0.000 0.429 77 R N 6.250 126.703 120.500 -0.078 0.000 2.343 77 R HA 0.648 4.988 4.340 0.000 0.000 0.320 77 R C -1.197 175.007 176.300 -0.159 0.000 0.956 77 R CA -0.565 55.470 56.100 -0.108 0.000 0.836 77 R CB 1.227 31.478 30.300 -0.081 0.000 1.151 77 R HN 0.576 nan 8.270 nan 0.000 0.450 78 L N 5.954 127.016 121.223 -0.269 0.000 2.343 78 L HA 0.393 4.733 4.340 0.000 0.000 0.275 78 L C -1.448 175.144 176.870 -0.463 0.000 1.056 78 L CA -2.226 52.349 54.840 -0.442 0.000 0.804 78 L CB 1.603 43.185 42.059 -0.795 0.000 1.203 78 L HN 0.491 nan 8.230 nan 0.000 0.440 79 P HA -0.160 nan 4.420 nan 0.000 0.221 79 P C 0.743 177.990 177.300 -0.088 0.000 1.145 79 P CA 1.336 64.352 63.100 -0.140 0.000 0.795 79 P CB 0.048 31.743 31.700 -0.008 0.000 0.775 80 F N -1.132 118.821 119.950 0.004 0.000 2.664 80 F HA 0.368 4.895 4.527 0.000 0.000 0.303 80 F C 0.670 176.471 175.800 0.002 0.000 1.092 80 F CA -0.936 57.066 58.000 0.003 0.000 1.305 80 F CB -0.039 38.963 39.000 0.003 0.000 1.054 80 F HN -0.250 nan 8.300 nan 0.000 0.565 81 R N -0.317 120.097 120.500 -0.144 0.000 2.651 81 R HA 0.360 4.700 4.340 0.000 0.000 0.278 81 R C -0.067 176.191 176.300 -0.070 0.000 1.010 81 R CA -0.015 56.066 56.100 -0.032 0.000 0.896 81 R CB 1.297 31.608 30.300 0.018 0.000 1.211 81 R HN 0.109 nan 8.270 nan 0.000 0.456 82 T N -1.256 113.285 114.554 -0.021 0.000 2.896 82 T HA -0.039 4.311 4.350 0.000 0.000 0.263 82 T C 0.797 175.480 174.700 -0.028 0.000 1.050 82 T CA 0.858 62.944 62.100 -0.023 0.000 1.140 82 T CB -0.273 68.592 68.868 -0.005 0.000 0.877 82 T HN 0.612 nan 8.240 nan 0.000 0.457 83 T N 5.033 119.576 114.554 -0.019 0.000 2.902 83 T HA 0.319 4.669 4.350 0.000 0.000 0.301 83 T C -2.344 172.337 174.700 -0.033 0.000 1.012 83 T CA -0.987 61.102 62.100 -0.017 0.000 1.151 83 T CB 0.656 69.521 68.868 -0.004 0.000 0.946 83 T HN 0.305 nan 8.240 nan 0.000 0.542 84 P HA 0.336 nan 4.420 nan 0.000 0.278 84 P C -0.238 177.046 177.300 -0.026 0.000 1.238 84 P CA -0.577 62.502 63.100 -0.036 0.000 0.794 84 P CB 0.600 32.283 31.700 -0.028 0.000 0.955 85 I N 1.318 121.870 120.570 -0.031 0.000 2.529 85 I HA 0.129 4.299 4.170 0.000 0.000 0.284 85 I C 0.191 176.302 176.117 -0.009 0.000 1.082 85 I CA -0.304 60.987 61.300 -0.014 0.000 1.406 85 I CB 0.756 38.747 38.000 -0.015 0.000 1.405 85 I HN 0.004 nan 8.210 nan 0.000 0.548 86 V N 7.584 127.498 119.914 0.000 0.000 2.407 86 V HA 0.386 4.506 4.120 0.000 0.000 0.291 86 V C -0.155 175.946 176.094 0.012 0.000 1.018 86 V CA -0.547 61.756 62.300 0.005 0.000 0.842 86 V CB 1.443 33.269 31.823 0.005 0.000 0.996 86 V HN 0.444 nan 8.190 nan 0.000 0.426 87 L N 4.007 125.240 121.223 0.017 0.000 2.296 87 L HA 0.402 4.742 4.340 0.000 0.000 0.286 87 L C 1.501 178.388 176.870 0.028 0.000 1.023 87 L CA -0.258 54.596 54.840 0.023 0.000 0.812 87 L CB 1.817 43.893 42.059 0.030 0.000 1.223 87 L HN 0.617 nan 8.230 nan 0.000 0.421 88 T N 0.267 114.835 114.554 0.025 0.000 2.708 88 T HA -0.097 4.253 4.350 0.000 0.000 0.266 88 T C 0.762 175.482 174.700 0.034 0.000 1.037 88 T CA 1.550 63.665 62.100 0.026 0.000 1.146 88 T CB -0.009 68.870 68.868 0.020 0.000 0.865 88 T HN 0.719 nan 8.240 nan 0.000 0.435 89 S N -0.255 115.466 115.700 0.035 0.000 2.564 89 S HA 0.646 5.116 4.470 0.000 0.000 0.274 89 S C -0.584 174.045 174.600 0.049 0.000 1.124 89 S CA -0.943 57.283 58.200 0.044 0.000 0.869 89 S CB 1.725 64.945 63.200 0.033 0.000 1.105 89 S HN 0.657 nan 8.310 nan 0.000 0.472 90 C N 1.617 120.959 119.300 0.069 0.000 3.340 90 C HA 0.799 5.259 4.460 0.000 0.000 0.333 90 C C -0.712 174.331 174.990 0.088 0.000 1.464 90 C CA -1.170 57.891 59.018 0.071 0.000 1.337 90 C CB -0.398 27.390 27.740 0.080 0.000 1.740 90 C HN 0.999 nan 8.230 nan 0.000 0.450 91 L N 1.364 122.643 121.223 0.093 0.000 2.418 91 L HA 0.662 5.002 4.340 0.000 0.000 0.265 91 L C -0.346 176.657 176.870 0.223 0.000 1.143 91 L CA -0.319 54.605 54.840 0.139 0.000 0.809 91 L CB 1.211 43.317 42.059 0.079 0.000 1.124 91 L HN 0.623 nan 8.230 nan 0.000 0.456 92 V N 0.738 120.802 119.914 0.250 0.000 2.443 92 V HA 0.181 4.301 4.120 0.000 0.000 0.293 92 V C -0.673 175.539 176.094 0.197 0.000 1.021 92 V CA -0.680 61.737 62.300 0.195 0.000 0.848 92 V CB 1.727 33.535 31.823 -0.026 0.000 0.998 92 V HN 0.634 nan 8.190 nan 0.000 0.424 93 D N 3.454 123.953 120.400 0.164 0.000 2.365 93 D HA 0.181 4.821 4.640 0.000 0.000 0.237 93 D C 1.316 177.493 176.300 -0.205 0.000 1.190 93 D CA 0.276 54.206 54.000 -0.116 0.000 0.867 93 D CB 1.776 42.550 40.800 -0.043 0.000 1.050 93 D HN 0.712 nan 8.370 nan 0.000 0.491 94 T N 0.934 115.320 114.554 -0.279 0.000 3.067 94 T HA 0.057 4.407 4.350 0.000 0.000 0.257 94 T C 1.529 176.053 174.700 -0.293 0.000 1.105 94 T CA 0.442 62.407 62.100 -0.225 0.000 1.104 94 T CB 0.318 69.080 68.868 -0.176 0.000 0.925 94 T HN 0.170 nan 8.240 nan 0.000 0.498 95 K N 1.326 121.463 120.400 -0.437 0.000 2.102 95 K HA 0.270 4.590 4.320 0.000 0.000 0.208 95 K C 1.769 178.066 176.600 -0.504 0.000 1.027 95 K CA 0.640 56.630 56.287 -0.495 0.000 0.958 95 K CB 0.248 32.312 32.500 -0.728 0.000 0.819 95 K HN 0.094 nan 8.250 nan 0.000 0.453 96 N N 1.102 119.365 118.700 -0.727 0.000 2.236 96 N HA 0.040 4.780 4.740 0.000 0.000 0.196 96 N C -0.740 174.341 175.510 -0.715 0.000 1.114 96 N CA 0.160 52.660 53.050 -0.917 0.000 0.859 96 N CB 0.425 37.812 38.487 -1.834 0.000 0.982 96 N HN 0.217 nan 8.380 nan 0.000 0.493 97 N N 0.785 119.208 118.700 -0.461 0.000 2.710 97 N HA -0.188 4.553 4.740 0.000 0.000 0.249 97 N C -0.787 174.693 175.510 -0.050 0.000 1.059 97 N CA 0.586 53.518 53.050 -0.197 0.000 0.720 97 N CB -1.269 37.141 38.487 -0.129 0.000 0.983 97 N HN 0.422 nan 8.380 nan 0.000 0.544 98 W N 0.293 121.614 121.300 0.034 0.000 2.123 98 W HA 0.321 4.981 4.660 0.000 0.000 0.351 98 W C 0.792 177.360 176.519 0.081 0.000 1.292 98 W CA -0.695 56.691 57.345 0.067 0.000 1.263 98 W CB 0.594 30.124 29.460 0.116 0.000 1.165 98 W HN 0.206 nan 8.180 nan 0.000 0.590 99 A N 3.450 126.473 122.820 0.338 0.000 2.411 99 A HA 0.739 5.059 4.320 0.000 0.000 0.285 99 A C -1.207 176.465 177.584 0.147 0.000 1.129 99 A CA -0.678 51.481 52.037 0.203 0.000 0.736 99 A CB 0.400 19.480 19.000 0.134 0.000 1.186 99 A HN 0.594 nan 8.150 nan 0.000 0.445 100 I N 3.900 124.545 120.570 0.126 0.000 2.478 100 I HA 0.306 4.476 4.170 0.000 0.000 0.287 100 I C -0.745 175.405 176.117 0.055 0.000 1.042 100 I CA -0.625 60.715 61.300 0.067 0.000 1.067 100 I CB 1.868 39.890 38.000 0.038 0.000 1.233 100 I HN 0.424 nan 8.210 nan 0.000 0.431 101 I N 5.386 125.981 120.570 0.041 0.000 2.322 101 I HA 0.283 4.453 4.170 0.000 0.000 0.292 101 I C 0.979 177.111 176.117 0.025 0.000 1.060 101 I CA 0.416 61.737 61.300 0.036 0.000 1.309 101 I CB 0.558 38.581 38.000 0.039 0.000 1.415 101 I HN 0.670 nan 8.210 nan 0.000 0.492 102 G N 6.249 115.061 108.800 0.020 0.000 2.583 102 G HA2 0.367 4.327 3.960 0.000 0.000 0.280 102 G HA3 0.367 4.327 3.960 0.000 0.000 0.280 102 G C 0.864 175.771 174.900 0.012 0.000 1.376 102 G CA -0.497 44.607 45.100 0.007 0.000 1.043 102 G HN 0.561 nan 8.290 nan 0.000 0.538 103 R N -0.303 120.200 120.500 0.005 0.000 2.189 103 R HA -0.043 4.297 4.340 0.000 0.000 0.218 103 R C 2.110 178.418 176.300 0.013 0.000 1.074 103 R CA 1.299 57.405 56.100 0.009 0.000 0.991 103 R CB -0.055 30.247 30.300 0.003 0.000 0.883 103 R HN 0.698 nan 8.270 nan 0.000 0.457 104 D N 1.057 121.463 120.400 0.010 0.000 2.104 104 D HA -0.187 4.453 4.640 0.000 0.000 0.194 104 D C 1.660 177.971 176.300 0.018 0.000 0.994 104 D CA 1.655 55.663 54.000 0.013 0.000 0.830 104 D CB -0.369 40.438 40.800 0.012 0.000 0.959 104 D HN 0.170 nan 8.370 nan 0.000 0.452 105 A N 0.457 123.290 122.820 0.022 0.000 1.898 105 A HA 0.077 4.397 4.320 0.000 0.000 0.214 105 A C 2.559 180.165 177.584 0.036 0.000 1.183 105 A CA 0.879 52.931 52.037 0.025 0.000 0.622 105 A CB -0.829 18.186 19.000 0.025 0.000 0.824 105 A HN 0.251 nan 8.150 nan 0.000 0.444 106 L N -0.584 120.662 121.223 0.039 0.000 2.083 106 L HA -0.252 4.088 4.340 0.000 0.000 0.209 106 L C 2.854 179.751 176.870 0.044 0.000 1.083 106 L CA 1.799 56.669 54.840 0.050 0.000 0.752 106 L CB -0.538 41.547 42.059 0.042 0.000 0.899 106 L HN 0.588 nan 8.230 nan 0.000 0.433 107 Q N 0.120 119.939 119.800 0.032 0.000 2.061 107 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 107 Q C 2.222 178.241 176.000 0.031 0.000 0.984 107 Q CA 1.724 57.543 55.803 0.027 0.000 0.846 107 Q CB -0.036 28.714 28.738 0.019 0.000 0.902 107 Q HN 0.551 nan 8.270 nan 0.000 0.421 108 Q N -0.710 119.108 119.800 0.031 0.000 2.226 108 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 108 Q C 1.873 177.900 176.000 0.044 0.000 0.975 108 Q CA 1.302 57.124 55.803 0.030 0.000 0.866 108 Q CB 0.067 28.818 28.738 0.022 0.000 0.915 108 Q HN 0.602 nan 8.270 nan 0.000 0.440 109 C N -0.595 118.744 119.300 0.064 0.000 2.614 109 C HA 0.285 4.745 4.460 0.000 0.000 0.299 109 C C 0.292 175.335 174.990 0.089 0.000 1.293 109 C CA -0.708 58.371 59.018 0.102 0.000 1.713 109 C CB -1.049 26.800 27.740 0.182 0.000 1.890 109 C HN 0.451 nan 8.230 nan 0.000 0.602 110 Q N 0.377 120.210 119.800 0.055 0.000 2.481 110 Q HA -0.156 4.184 4.340 0.000 0.000 0.272 110 Q C 0.734 176.752 176.000 0.031 0.000 1.157 110 Q CA 0.624 56.448 55.803 0.036 0.000 0.935 110 Q CB -1.823 26.931 28.738 0.027 0.000 1.338 110 Q HN 0.935 nan 8.270 nan 0.000 0.494 111 G N 0.397 109.222 108.800 0.042 0.000 2.491 111 G HA2 0.397 4.357 3.960 0.000 0.000 0.238 111 G HA3 0.397 4.357 3.960 0.000 0.000 0.238 111 G C 0.226 175.141 174.900 0.025 0.000 1.277 111 G CA 0.244 45.364 45.100 0.034 0.000 0.851 111 G HN 0.540 nan 8.290 nan 0.000 0.573 112 V N 0.548 120.475 119.914 0.023 0.000 3.078 112 V HA 0.735 4.855 4.120 0.000 0.000 0.311 112 V C -0.305 175.819 176.094 0.049 0.000 1.138 112 V CA -1.401 60.919 62.300 0.034 0.000 1.007 112 V CB 1.842 33.684 31.823 0.032 0.000 1.045 112 V HN 0.615 nan 8.190 nan 0.000 0.432 113 L N 3.140 124.397 121.223 0.057 0.000 2.289 113 L HA 0.529 4.869 4.340 0.000 0.000 0.285 113 L C -1.170 175.779 176.870 0.131 0.000 1.049 113 L CA -0.581 54.299 54.840 0.067 0.000 0.804 113 L CB 1.440 43.518 42.059 0.032 0.000 1.195 113 L HN 0.862 nan 8.230 nan 0.000 0.428 114 Y N 5.017 125.309 120.300 -0.014 0.000 2.328 114 Y HA 0.567 5.117 4.550 0.000 0.000 0.336 114 Y C -1.216 174.677 175.900 -0.012 0.000 0.960 114 Y CA -1.059 57.033 58.100 -0.014 0.000 1.134 114 Y CB 1.019 39.469 38.460 -0.017 0.000 1.166 114 Y HN 0.309 nan 8.280 nan 0.000 0.464 115 L N 8.822 129.728 121.223 -0.529 0.000 2.319 115 L HA 0.542 4.882 4.340 0.000 0.000 0.281 115 L C -2.061 174.346 176.870 -0.772 0.000 1.005 115 L CA -1.912 52.607 54.840 -0.536 0.000 0.828 115 L CB 1.208 43.127 42.059 -0.234 0.000 1.227 115 L HN 0.554 nan 8.230 nan 0.000 0.415 116 P HA 0.000 nan 4.420 nan 0.000 0.216 116 P CA 0.000 62.798 63.100 -0.503 0.000 0.800 116 P CB 0.000 31.547 31.700 -0.256 0.000 0.726