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_B 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 0.000 177.172 177.300 -0.213 0.000 1.155 1 P CA 0.000 62.910 63.100 -0.316 0.000 0.800 1 P CB 0.000 31.528 31.700 -0.287 0.000 0.726 2 V N 1.744 121.583 119.914 -0.125 0.000 2.461 2 V HA 0.311 4.431 4.120 0.000 0.000 0.275 2 V C 0.431 176.494 176.094 -0.053 0.000 1.047 2 V CA -0.130 62.127 62.300 -0.072 0.000 0.955 2 V CB 0.725 32.522 31.823 -0.043 0.000 0.988 2 V HN 0.344 nan 8.190 nan 0.000 0.471 3 I N 8.042 128.592 120.570 -0.034 0.000 2.382 3 I HA 0.389 4.559 4.170 0.000 0.000 0.285 3 I C -1.755 174.361 176.117 -0.002 0.000 1.007 3 I CA -1.522 59.767 61.300 -0.018 0.000 1.142 3 I CB 1.598 39.590 38.000 -0.013 0.000 1.289 3 I HN 0.520 nan 8.210 nan 0.000 0.453 4 P HA 0.363 nan 4.420 nan 0.000 0.274 4 P C -1.022 176.277 177.300 -0.002 0.000 1.246 4 P CA -0.350 62.751 63.100 0.001 0.000 0.795 4 P CB 1.045 32.745 31.700 -0.000 0.000 1.006 5 L N 1.213 122.433 121.223 -0.005 0.000 2.346 5 L HA 0.541 4.881 4.340 0.000 0.000 0.276 5 L C -0.186 176.678 176.870 -0.011 0.000 1.006 5 L CA -0.465 54.370 54.840 -0.009 0.000 0.817 5 L CB 1.824 43.877 42.059 -0.010 0.000 1.272 5 L HN 0.378 nan 8.230 nan 0.000 0.421 6 D N 3.624 124.017 120.400 -0.013 0.000 2.966 6 D HA 0.278 4.918 4.640 0.000 0.000 0.222 6 D C -2.070 174.221 176.300 -0.015 0.000 1.292 6 D CA -1.489 52.503 54.000 -0.013 0.000 0.907 6 D CB 2.696 43.490 40.800 -0.011 0.000 1.621 6 D HN 0.106 nan 8.370 nan 0.000 0.557 7 P HA -0.055 nan 4.420 nan 0.000 0.218 7 P C 0.865 178.154 177.300 -0.018 0.000 1.148 7 P CA 0.790 63.880 63.100 -0.017 0.000 0.822 7 P CB 0.245 31.936 31.700 -0.014 0.000 0.784 8 A N -1.032 121.779 122.820 -0.015 0.000 2.218 8 A HA 0.126 4.446 4.320 0.000 0.000 0.209 8 A C 1.130 178.704 177.584 -0.016 0.000 1.168 8 A CA 0.136 52.164 52.037 -0.015 0.000 0.804 8 A CB -0.380 18.614 19.000 -0.011 0.000 0.834 8 A HN 0.092 nan 8.150 nan 0.000 0.482 9 R N -0.193 120.297 120.500 -0.018 0.000 2.502 9 R HA 0.435 4.775 4.340 0.000 0.000 0.300 9 R C -1.034 175.252 176.300 -0.023 0.000 0.984 9 R CA -0.646 55.443 56.100 -0.018 0.000 0.882 9 R CB 1.340 31.633 30.300 -0.013 0.000 1.180 9 R HN 0.214 nan 8.270 nan 0.000 0.444 10 R N 3.203 123.684 120.500 -0.031 0.000 2.489 10 R HA 0.113 4.453 4.340 0.000 0.000 0.287 10 R C -1.988 174.297 176.300 -0.024 0.000 1.053 10 R CA -0.921 55.156 56.100 -0.038 0.000 1.036 10 R CB 0.272 30.537 30.300 -0.059 0.000 0.966 10 R HN 0.331 nan 8.270 nan 0.000 0.432 11 P HA 0.044 nan 4.420 nan 0.000 0.280 11 P C -0.884 176.416 177.300 0.000 0.000 1.300 11 P CA -0.160 62.937 63.100 -0.005 0.000 0.785 11 P CB 0.765 32.464 31.700 -0.002 0.000 0.874 12 V N 2.715 122.634 119.914 0.008 0.000 3.001 12 V HA 0.803 4.923 4.120 0.000 0.000 0.314 12 V C -0.186 175.930 176.094 0.036 0.000 1.099 12 V CA -1.206 61.104 62.300 0.015 0.000 0.989 12 V CB 2.181 34.006 31.823 0.004 0.000 1.040 12 V HN 0.425 nan 8.190 nan 0.000 0.434 13 I N -0.979 119.619 120.570 0.046 0.000 2.894 13 I HA 0.724 4.895 4.170 0.000 0.000 0.302 13 I C -0.808 175.334 176.117 0.043 0.000 1.188 13 I CA -1.240 60.099 61.300 0.065 0.000 1.014 13 I CB 2.169 40.234 38.000 0.108 0.000 1.242 13 I HN 0.376 nan 8.210 nan 0.000 0.430 14 K N 2.621 123.044 120.400 0.039 0.000 2.276 14 K HA 0.792 5.112 4.320 0.000 0.000 0.283 14 K C -0.627 175.973 176.600 -0.001 0.000 1.044 14 K CA -0.108 56.190 56.287 0.018 0.000 0.944 14 K CB 1.441 33.951 32.500 0.017 0.000 1.012 14 K HN 0.816 nan 8.250 nan 0.000 0.472 15 A N 2.590 125.402 122.820 -0.014 0.000 2.475 15 A HA 0.441 4.761 4.320 0.000 0.000 0.301 15 A C -1.300 176.261 177.584 -0.037 0.000 1.059 15 A CA -0.703 51.310 52.037 -0.039 0.000 0.710 15 A CB 1.307 20.287 19.000 -0.033 0.000 1.288 15 A HN 0.622 nan 8.150 nan 0.000 0.408 16 Q N 1.515 121.285 119.800 -0.050 0.000 2.331 16 Q HA 0.545 4.885 4.340 0.000 0.000 0.257 16 Q C -1.468 174.501 176.000 -0.052 0.000 0.957 16 Q CA -0.329 55.447 55.803 -0.045 0.000 0.923 16 Q CB 1.001 29.715 28.738 -0.040 0.000 1.212 16 Q HN 0.543 nan 8.270 nan 0.000 0.443 17 V N 4.187 124.065 119.914 -0.060 0.000 2.370 17 V HA 0.204 4.324 4.120 0.000 0.000 0.283 17 V C -0.401 175.634 176.094 -0.099 0.000 1.023 17 V CA -0.696 61.562 62.300 -0.069 0.000 0.857 17 V CB 1.550 33.332 31.823 -0.067 0.000 0.985 17 V HN 0.724 nan 8.190 nan 0.000 0.443 18 D N 3.253 123.604 120.400 -0.083 0.000 2.414 18 D HA 0.224 4.864 4.640 0.000 0.000 0.232 18 D C 1.153 177.391 176.300 -0.103 0.000 1.070 18 D CA -0.194 53.749 54.000 -0.095 0.000 0.839 18 D CB 1.978 42.746 40.800 -0.053 0.000 1.079 18 D HN 0.673 nan 8.370 nan 0.000 0.521 19 T N 0.693 115.134 114.554 -0.188 0.000 3.148 19 T HA -0.056 4.294 4.350 0.000 0.000 0.253 19 T C 0.852 175.517 174.700 -0.058 0.000 1.134 19 T CA 0.294 62.283 62.100 -0.186 0.000 1.051 19 T CB -0.312 68.191 68.868 -0.609 0.000 0.959 19 T HN 0.625 nan 8.240 nan 0.000 0.525 20 Q N 0.031 119.798 119.800 -0.054 0.000 2.406 20 Q HA -0.235 4.106 4.340 0.000 0.000 0.236 20 Q C 1.027 177.031 176.000 0.006 0.000 0.799 20 Q CA 1.444 57.241 55.803 -0.010 0.000 1.286 20 Q CB -2.939 25.809 28.738 0.017 0.000 1.615 20 Q HN 0.870 nan 8.270 nan 0.000 0.621 21 T N -3.823 110.719 114.554 -0.020 0.000 3.010 21 T HA 0.351 4.701 4.350 0.000 0.000 0.257 21 T C 0.578 175.270 174.700 -0.012 0.000 1.020 21 T CA 0.541 62.654 62.100 0.022 0.000 0.938 21 T CB 0.684 69.620 68.868 0.113 0.000 1.049 21 T HN 0.481 nan 8.240 nan 0.000 0.522 22 S N 0.560 116.222 115.700 -0.062 0.000 2.724 22 S HA 0.448 4.918 4.470 0.000 0.000 0.278 22 S C -0.646 173.930 174.600 -0.040 0.000 1.190 22 S CA -0.983 57.198 58.200 -0.032 0.000 0.860 22 S CB 0.432 63.581 63.200 -0.084 0.000 1.206 22 S HN 0.737 nan 8.310 nan 0.000 0.507 23 H N -0.141 118.897 119.070 -0.053 0.000 2.671 23 H HA 0.656 5.212 4.556 0.000 0.000 0.372 23 H C -2.961 172.329 175.328 -0.063 0.000 1.227 23 H CA -1.216 54.802 56.048 -0.049 0.000 1.426 23 H CB -0.805 28.936 29.762 -0.035 0.000 1.480 23 H HN 0.349 nan 8.280 nan 0.000 0.611 24 P HA 0.190 nan 4.420 nan 0.000 0.271 24 P C -0.930 176.312 177.300 -0.096 0.000 1.216 24 P CA -0.164 62.895 63.100 -0.069 0.000 0.776 24 P CB 0.681 32.377 31.700 -0.007 0.000 0.881 25 K N 0.867 121.186 120.400 -0.135 0.000 2.435 25 K HA 0.491 4.812 4.320 0.000 0.000 0.251 25 K C -0.644 175.914 176.600 -0.068 0.000 0.954 25 K CA -0.673 55.540 56.287 -0.123 0.000 0.820 25 K CB 1.745 34.125 32.500 -0.201 0.000 1.292 25 K HN 0.241 nan 8.250 nan 0.000 0.436 26 T N 3.012 117.544 114.554 -0.037 0.000 2.780 26 T HA 0.424 4.774 4.350 0.000 0.000 0.294 26 T C 0.091 174.780 174.700 -0.019 0.000 0.949 26 T CA -0.502 61.585 62.100 -0.022 0.000 1.074 26 T CB -0.060 68.805 68.868 -0.006 0.000 0.910 26 T HN 0.480 nan 8.240 nan 0.000 0.501 27 I N -0.013 120.549 120.570 -0.013 0.000 3.002 27 I HA 0.758 4.928 4.170 0.000 0.000 0.310 27 I C -0.584 175.540 176.117 0.011 0.000 1.087 27 I CA -1.328 59.974 61.300 0.003 0.000 1.017 27 I CB 2.455 40.462 38.000 0.010 0.000 1.226 27 I HN 0.459 nan 8.210 nan 0.000 0.443 28 E N 3.004 123.216 120.200 0.020 0.000 2.113 28 E HA 0.703 5.053 4.350 0.000 0.000 0.273 28 E C -1.208 175.407 176.600 0.025 0.000 0.924 28 E CA -0.672 55.740 56.400 0.020 0.000 0.764 28 E CB 1.539 31.249 29.700 0.017 0.000 1.104 28 E HN 0.863 nan 8.360 nan 0.000 0.406 29 A N 4.280 127.116 122.820 0.026 0.000 2.355 29 A HA 0.486 4.806 4.320 0.000 0.000 0.324 29 A C -1.046 176.549 177.584 0.018 0.000 1.117 29 A CA -0.845 51.211 52.037 0.031 0.000 0.785 29 A CB 1.042 20.066 19.000 0.040 0.000 1.254 29 A HN 0.695 nan 8.150 nan 0.000 0.453 30 L N 2.334 123.560 121.223 0.004 0.000 2.410 30 L HA 0.338 4.678 4.340 0.000 0.000 0.273 30 L C -0.509 176.366 176.870 0.009 0.000 1.144 30 L CA 0.260 55.091 54.840 -0.014 0.000 0.863 30 L CB -0.065 41.960 42.059 -0.056 0.000 1.140 30 L HN 0.553 nan 8.230 nan 0.000 0.463 31 L N 5.611 126.842 121.223 0.012 0.000 2.385 31 L HA 0.273 4.613 4.340 0.000 0.000 0.281 31 L C -0.303 176.574 176.870 0.012 0.000 1.106 31 L CA 0.088 54.942 54.840 0.023 0.000 0.856 31 L CB 0.248 42.327 42.059 0.033 0.000 1.186 31 L HN 0.607 nan 8.230 nan 0.000 0.453 32 D N 1.700 122.109 120.400 0.016 0.000 2.389 32 D HA 0.102 4.742 4.640 0.000 0.000 0.256 32 D C 1.093 177.400 176.300 0.012 0.000 1.239 32 D CA -0.386 53.619 54.000 0.008 0.000 0.925 32 D CB 1.421 42.225 40.800 0.007 0.000 1.145 32 D HN 0.548 nan 8.370 nan 0.000 0.542 33 T N -0.291 114.269 114.554 0.009 0.000 3.072 33 T HA 0.039 4.389 4.350 0.000 0.000 0.266 33 T C 1.745 176.449 174.700 0.006 0.000 1.127 33 T CA 0.719 62.825 62.100 0.011 0.000 1.107 33 T CB 0.055 68.929 68.868 0.011 0.000 0.910 33 T HN 0.291 nan 8.240 nan 0.000 0.513 34 G N 0.805 109.607 108.800 0.003 0.000 2.744 34 G HA2 0.438 4.398 3.960 0.000 0.000 0.211 34 G HA3 0.438 4.398 3.960 0.000 0.000 0.211 34 G C 0.524 175.424 174.900 -0.001 0.000 1.143 34 G CA 0.042 45.142 45.100 0.001 0.000 0.788 34 G HN 0.815 nan 8.290 nan 0.000 0.534 35 A N 0.562 123.383 122.820 0.002 0.000 2.252 35 A HA 0.496 4.816 4.320 0.000 0.000 0.309 35 A C 0.753 178.333 177.584 -0.006 0.000 1.285 35 A CA -0.443 51.592 52.037 -0.004 0.000 0.900 35 A CB 0.647 19.653 19.000 0.009 0.000 1.157 35 A HN 0.056 nan 8.150 nan 0.000 0.536 36 D N 1.361 121.750 120.400 -0.018 0.000 2.178 36 D HA -0.047 4.593 4.640 0.000 0.000 0.201 36 D C 0.545 176.837 176.300 -0.012 0.000 0.980 36 D CA 1.659 55.650 54.000 -0.016 0.000 0.842 36 D CB 0.056 40.840 40.800 -0.026 0.000 0.948 36 D HN 0.647 nan 8.370 nan 0.000 0.472 37 M N -0.642 118.946 119.600 -0.020 0.000 2.550 37 M HA 0.217 4.697 4.480 0.000 0.000 0.292 37 M C -0.878 175.426 176.300 0.007 0.000 1.221 37 M CA -0.430 54.865 55.300 -0.009 0.000 0.873 37 M CB 2.405 34.990 32.600 -0.023 0.000 1.727 37 M HN -0.332 nan 8.290 nan 0.000 0.459 38 T N 2.121 116.692 114.554 0.029 0.000 2.926 38 T HA 0.389 4.739 4.350 0.000 0.000 0.307 38 T C -0.846 173.904 174.700 0.083 0.000 1.059 38 T CA -0.255 61.877 62.100 0.055 0.000 1.122 38 T CB 0.483 69.384 68.868 0.055 0.000 0.972 38 T HN 0.436 nan 8.240 nan 0.000 0.545 39 V N 4.837 124.826 119.914 0.126 0.000 2.487 39 V HA 0.572 4.692 4.120 0.000 0.000 0.298 39 V C 0.050 176.265 176.094 0.202 0.000 1.028 39 V CA -0.838 61.584 62.300 0.203 0.000 0.860 39 V CB 1.174 33.180 31.823 0.306 0.000 0.991 39 V HN 0.784 nan 8.190 nan 0.000 0.427 40 I N 2.978 123.673 120.570 0.208 0.000 2.846 40 I HA 0.790 4.960 4.170 0.000 0.000 0.307 40 I C -2.769 173.468 176.117 0.201 0.000 1.053 40 I CA -2.847 58.563 61.300 0.183 0.000 1.050 40 I CB 2.782 40.875 38.000 0.155 0.000 1.239 40 I HN 0.322 nan 8.210 nan 0.000 0.439 41 P HA 0.175 nan 4.420 nan 0.000 0.279 41 P C 0.548 177.955 177.300 0.179 0.000 1.239 41 P CA -0.171 63.007 63.100 0.129 0.000 0.789 41 P CB 1.488 33.243 31.700 0.092 0.000 0.933 42 I N 3.080 123.728 120.570 0.130 0.000 2.530 42 I HA -0.224 3.946 4.170 0.000 0.000 0.257 42 I C 2.025 178.263 176.117 0.202 0.000 1.179 42 I CA 1.377 62.789 61.300 0.187 0.000 1.440 42 I CB -0.902 37.112 38.000 0.022 0.000 1.087 42 I HN 0.414 nan 8.210 nan 0.000 0.440 43 A N 0.072 122.951 122.820 0.098 0.000 2.076 43 A HA -0.162 4.158 4.320 0.000 0.000 0.220 43 A C 2.229 179.825 177.584 0.020 0.000 1.160 43 A CA 1.572 53.640 52.037 0.050 0.000 0.653 43 A CB -0.946 18.068 19.000 0.023 0.000 0.801 43 A HN 0.527 nan 8.150 nan 0.000 0.455 44 L N -1.966 119.252 121.223 -0.009 0.000 2.191 44 L HA -0.048 4.292 4.340 0.000 0.000 0.212 44 L C 0.266 176.956 176.870 -0.301 0.000 1.103 44 L CA 0.316 55.029 54.840 -0.212 0.000 0.769 44 L CB -0.315 41.512 42.059 -0.386 0.000 0.908 44 L HN 0.317 nan 8.230 nan 0.000 0.438 45 F N -0.568 119.364 119.950 -0.030 0.000 2.397 45 F HA 0.236 4.763 4.527 0.000 0.000 0.331 45 F C 1.163 176.950 175.800 -0.021 0.000 1.090 45 F CA -1.037 56.949 58.000 -0.024 0.000 1.065 45 F CB 1.021 40.011 39.000 -0.017 0.000 1.184 45 F HN -0.154 nan 8.300 nan 0.000 0.499 46 S N 0.284 116.085 115.700 0.169 0.000 2.587 46 S HA 0.012 4.482 4.470 0.000 0.000 0.260 46 S C 0.987 175.644 174.600 0.095 0.000 1.353 46 S CA -0.372 57.888 58.200 0.099 0.000 0.995 46 S CB 0.663 63.907 63.200 0.073 0.000 0.912 46 S HN 0.612 nan 8.310 nan 0.000 0.568 47 S N 1.485 117.217 115.700 0.054 0.000 2.500 47 S HA -0.056 4.414 4.470 0.000 0.000 0.239 47 S C 0.838 175.451 174.600 0.022 0.000 0.989 47 S CA 0.818 59.037 58.200 0.032 0.000 0.951 47 S CB -0.710 62.501 63.200 0.019 0.000 0.759 47 S HN 0.858 nan 8.310 nan 0.000 0.523 48 N N 0.562 119.280 118.700 0.031 0.000 2.451 48 N HA 0.079 4.819 4.740 0.000 0.000 0.271 48 N C -0.718 174.802 175.510 0.016 0.000 1.410 48 N CA -0.209 52.850 53.050 0.015 0.000 0.884 48 N CB -0.148 38.346 38.487 0.011 0.000 1.332 48 N HN 0.033 nan 8.380 nan 0.000 0.498 49 T N 2.129 116.697 114.554 0.025 0.000 2.802 49 T HA 0.301 4.651 4.350 0.000 0.000 0.305 49 T C -2.384 172.290 174.700 -0.044 0.000 1.053 49 T CA -0.348 61.761 62.100 0.015 0.000 1.058 49 T CB 0.507 69.400 68.868 0.042 0.000 0.988 49 T HN 0.141 nan 8.240 nan 0.000 0.539 50 P HA 0.583 nan 4.420 nan 0.000 0.304 50 P C -1.266 175.974 177.300 -0.101 0.000 1.366 50 P CA -0.546 62.519 63.100 -0.059 0.000 0.859 50 P CB 0.575 32.258 31.700 -0.029 0.000 0.961 51 L N 3.008 124.156 121.223 -0.125 0.000 2.362 51 L HA 0.500 4.840 4.340 0.000 0.000 0.275 51 L C 0.280 177.098 176.870 -0.086 0.000 0.998 51 L CA -1.001 53.753 54.840 -0.145 0.000 0.820 51 L CB 2.052 43.965 42.059 -0.243 0.000 1.270 51 L HN 0.152 nan 8.230 nan 0.000 0.415 52 K N 2.159 122.523 120.400 -0.061 0.000 2.270 52 K HA 0.245 4.565 4.320 0.000 0.000 0.276 52 K C -0.423 176.163 176.600 -0.024 0.000 1.023 52 K CA -0.708 55.559 56.287 -0.034 0.000 0.955 52 K CB 0.389 32.877 32.500 -0.021 0.000 0.975 52 K HN 0.395 nan 8.250 nan 0.000 0.471 53 N N 1.243 119.935 118.700 -0.014 0.000 2.479 53 N HA 0.081 4.821 4.740 0.000 0.000 0.257 53 N C -0.232 175.287 175.510 0.015 0.000 1.232 53 N CA 0.211 53.263 53.050 0.002 0.000 0.920 53 N CB 1.133 39.621 38.487 0.001 0.000 1.105 53 N HN 0.530 nan 8.380 nan 0.000 0.444 54 T N -0.605 113.972 114.554 0.038 0.000 2.853 54 T HA 0.417 4.767 4.350 0.000 0.000 0.311 54 T C -1.141 173.591 174.700 0.053 0.000 1.307 54 T CA -0.517 61.605 62.100 0.037 0.000 1.019 54 T CB 0.841 69.731 68.868 0.036 0.000 1.264 54 T HN 0.303 nan 8.240 nan 0.000 0.497 55 S N 1.349 117.065 115.700 0.027 0.000 2.509 55 S HA 0.816 5.286 4.470 0.000 0.000 0.297 55 S C -0.878 173.719 174.600 -0.005 0.000 1.118 55 S CA -0.594 57.620 58.200 0.023 0.000 1.074 55 S CB 1.441 64.645 63.200 0.006 0.000 1.038 55 S HN 0.584 nan 8.310 nan 0.000 0.498 56 V N 3.370 123.277 119.914 -0.012 0.000 2.925 56 V HA 0.473 4.593 4.120 0.000 0.000 0.311 56 V C -0.751 175.303 176.094 -0.067 0.000 1.104 56 V CA -0.787 61.455 62.300 -0.097 0.000 0.954 56 V CB 2.087 33.738 31.823 -0.287 0.000 1.022 56 V HN 0.747 nan 8.190 nan 0.000 0.427 57 L N 3.253 124.430 121.223 -0.076 0.000 2.272 57 L HA 0.822 5.162 4.340 0.000 0.000 0.289 57 L C 0.397 177.243 176.870 -0.040 0.000 1.032 57 L CA 0.275 55.090 54.840 -0.042 0.000 0.810 57 L CB 0.960 43.000 42.059 -0.032 0.000 1.205 57 L HN 0.891 nan 8.230 nan 0.000 0.422 58 G N 2.002 110.801 108.800 -0.001 0.000 3.211 58 G HA2 0.520 4.480 3.960 0.000 0.000 0.262 58 G HA3 0.520 4.480 3.960 0.000 0.000 0.262 58 G C 0.413 175.342 174.900 0.049 0.000 1.352 58 G CA 0.198 45.322 45.100 0.040 0.000 1.004 58 G HN 0.689 nan 8.290 nan 0.000 0.559 59 A N -0.958 121.909 122.820 0.077 0.000 1.968 59 A HA 0.223 4.543 4.320 0.000 0.000 0.217 59 A C 2.272 179.891 177.584 0.058 0.000 1.169 59 A CA 2.056 54.131 52.037 0.063 0.000 0.638 59 A CB -0.681 18.364 19.000 0.074 0.000 0.812 59 A HN 1.249 nan 8.150 nan 0.000 0.446 60 G N -1.252 107.592 108.800 0.074 0.000 2.956 60 G HA2 0.431 4.391 3.960 0.000 0.000 0.207 60 G HA3 0.431 4.391 3.960 0.000 0.000 0.207 60 G C 0.962 175.871 174.900 0.016 0.000 1.162 60 G CA 0.642 45.771 45.100 0.049 0.000 0.796 60 G HN 1.562 nan 8.290 nan 0.000 0.527 61 G N -0.464 108.346 108.800 0.016 0.000 2.545 61 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 61 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 61 G C -0.301 174.592 174.900 -0.013 0.000 1.314 61 G CA -0.140 44.959 45.100 -0.000 0.000 0.906 61 G HN 0.614 nan 8.290 nan 0.000 0.563 62 Q N 0.420 120.208 119.800 -0.020 0.000 2.281 62 Q HA 0.565 4.905 4.340 0.000 0.000 0.267 62 Q C 0.384 176.356 176.000 -0.046 0.000 1.053 62 Q CA 0.997 56.785 55.803 -0.025 0.000 0.905 62 Q CB 0.615 29.342 28.738 -0.019 0.000 1.195 62 Q HN 0.887 nan 8.270 nan 0.000 0.398 63 T N 3.283 117.810 114.554 -0.044 0.000 2.823 63 T HA 0.374 4.724 4.350 0.000 0.000 0.279 63 T C -0.044 174.658 174.700 0.003 0.000 0.998 63 T CA -0.369 61.675 62.100 -0.093 0.000 0.994 63 T CB 0.757 69.498 68.868 -0.211 0.000 0.960 63 T HN 0.785 nan 8.240 nan 0.000 0.448 64 Q N 2.447 122.245 119.800 -0.004 0.000 2.127 64 Q HA 0.201 4.541 4.340 0.000 0.000 0.222 64 Q C 0.114 176.149 176.000 0.058 0.000 0.794 64 Q CA -0.297 55.530 55.803 0.040 0.000 1.010 64 Q CB 0.912 29.661 28.738 0.018 0.000 1.170 64 Q HN 0.576 nan 8.270 nan 0.000 0.479 65 D N -0.304 120.144 120.400 0.080 0.000 2.380 65 D HA 0.027 4.667 4.640 0.000 0.000 0.212 65 D C 1.307 177.684 176.300 0.128 0.000 1.021 65 D CA 0.692 54.758 54.000 0.109 0.000 0.884 65 D CB 0.294 41.177 40.800 0.138 0.000 1.001 65 D HN 0.365 nan 8.370 nan 0.000 0.506 66 H N -1.292 117.716 119.070 -0.103 0.000 2.482 66 H HA 0.091 4.647 4.556 0.000 0.000 0.286 66 H C 0.030 175.014 175.328 -0.573 0.000 1.017 66 H CA 0.356 56.181 56.048 -0.370 0.000 1.322 66 H CB 0.531 29.995 29.762 -0.496 0.000 1.426 66 H HN 0.030 nan 8.280 nan 0.000 0.546 67 F N 0.770 120.751 119.950 0.052 0.000 2.532 67 F HA 0.361 4.888 4.527 -0.000 0.000 0.321 67 F C 0.210 175.999 175.800 -0.019 0.000 1.089 67 F CA -1.047 56.956 58.000 0.005 0.000 0.926 67 F CB 1.668 40.678 39.000 0.016 0.000 1.168 67 F HN -0.257 nan 8.300 nan 0.000 0.459 68 K N 1.982 122.455 120.400 0.121 0.000 2.313 68 K HA 0.668 4.988 4.320 0.000 0.000 0.235 68 K C -1.134 175.494 176.600 0.046 0.000 1.035 68 K CA -0.859 55.450 56.287 0.037 0.000 0.868 68 K CB 2.163 34.623 32.500 -0.066 0.000 1.232 68 K HN 0.548 nan 8.250 nan 0.000 0.459 69 L N 1.141 122.363 121.223 -0.002 0.000 2.334 69 L HA 0.301 4.641 4.340 0.000 0.000 0.276 69 L C 0.533 177.376 176.870 -0.045 0.000 1.014 69 L CA -0.764 54.075 54.840 -0.001 0.000 0.815 69 L CB 1.941 44.002 42.059 0.004 0.000 1.268 69 L HN 0.768 nan 8.230 nan 0.000 0.428 70 T N -1.516 113.028 114.554 -0.016 0.000 2.855 70 T HA 0.057 4.407 4.350 0.000 0.000 0.314 70 T C 1.006 175.703 174.700 -0.006 0.000 1.077 70 T CA -0.244 61.845 62.100 -0.018 0.000 1.095 70 T CB 0.937 69.873 68.868 0.113 0.000 0.987 70 T HN 0.697 nan 8.240 nan 0.000 0.546 71 S N 1.150 116.849 115.700 -0.002 0.000 2.492 71 S HA 0.272 4.742 4.470 0.000 0.000 0.218 71 S C 0.536 175.158 174.600 0.037 0.000 1.016 71 S CA -0.398 57.809 58.200 0.012 0.000 0.916 71 S CB -0.262 62.938 63.200 -0.001 0.000 0.791 71 S HN 0.610 nan 8.310 nan 0.000 0.513 72 L N 1.473 122.737 121.223 0.068 0.000 2.322 72 L HA 0.552 4.892 4.340 0.000 0.000 0.269 72 L C -2.722 174.191 176.870 0.072 0.000 1.012 72 L CA -2.863 52.017 54.840 0.066 0.000 0.815 72 L CB 1.140 43.245 42.059 0.076 0.000 1.295 72 L HN -0.175 nan 8.230 nan 0.000 0.438 73 P HA 0.008 nan 4.420 nan 0.000 0.267 73 P C -1.099 176.233 177.300 0.052 0.000 1.201 73 P CA -0.036 63.091 63.100 0.046 0.000 0.775 73 P CB 0.544 32.262 31.700 0.030 0.000 0.854 74 V N 3.704 123.647 119.914 0.048 0.000 2.495 74 V HA 0.309 4.429 4.120 0.000 0.000 0.298 74 V C 0.063 176.166 176.094 0.014 0.000 1.031 74 V CA -0.528 61.794 62.300 0.037 0.000 0.871 74 V CB 1.384 33.242 31.823 0.059 0.000 0.988 74 V HN 0.290 nan 8.190 nan 0.000 0.432 75 L N 5.996 127.217 121.223 -0.004 0.000 2.309 75 L HA 0.616 4.956 4.340 0.000 0.000 0.282 75 L C -0.393 176.462 176.870 -0.025 0.000 1.036 75 L CA 0.088 54.920 54.840 -0.013 0.000 0.806 75 L CB 1.394 43.444 42.059 -0.016 0.000 1.220 75 L HN 0.448 nan 8.230 nan 0.000 0.429 76 I N 2.951 123.503 120.570 -0.028 0.000 2.466 76 I HA 0.463 4.633 4.170 0.000 0.000 0.289 76 I C -0.368 175.710 176.117 -0.065 0.000 1.026 76 I CA -0.628 60.647 61.300 -0.041 0.000 1.078 76 I CB 2.023 40.006 38.000 -0.029 0.000 1.249 76 I HN 0.530 nan 8.210 nan 0.000 0.429 77 R N 6.122 126.576 120.500 -0.078 0.000 2.387 77 R HA 0.675 5.015 4.340 0.000 0.000 0.314 77 R C -1.201 175.008 176.300 -0.152 0.000 0.958 77 R CA -0.513 55.522 56.100 -0.107 0.000 0.846 77 R CB 1.319 31.571 30.300 -0.079 0.000 1.147 77 R HN 0.566 nan 8.270 nan 0.000 0.447 78 L N 5.868 126.935 121.223 -0.261 0.000 2.360 78 L HA 0.417 4.757 4.340 0.000 0.000 0.271 78 L C -1.397 175.211 176.870 -0.437 0.000 1.057 78 L CA -2.275 52.314 54.840 -0.418 0.000 0.803 78 L CB 1.607 43.201 42.059 -0.776 0.000 1.207 78 L HN 0.518 nan 8.230 nan 0.000 0.445 79 P HA -0.186 nan 4.420 nan 0.000 0.218 79 P C 0.759 178.013 177.300 -0.076 0.000 1.148 79 P CA 1.485 64.518 63.100 -0.112 0.000 0.822 79 P CB 0.018 31.742 31.700 0.040 0.000 0.784 80 F N -0.824 119.127 119.950 0.002 0.000 2.639 80 F HA 0.404 4.931 4.527 0.000 0.000 0.300 80 F C 0.403 176.204 175.800 0.001 0.000 1.109 80 F CA -1.072 56.929 58.000 0.001 0.000 1.335 80 F CB -0.261 38.740 39.000 0.001 0.000 1.014 80 F HN -0.214 nan 8.300 nan 0.000 0.537 81 R N -1.460 118.931 120.500 -0.183 0.000 2.626 81 R HA 0.391 4.731 4.340 0.000 0.000 0.274 81 R C 0.194 176.441 176.300 -0.087 0.000 1.031 81 R CA -0.244 55.812 56.100 -0.072 0.000 0.898 81 R CB 0.994 31.260 30.300 -0.056 0.000 1.222 81 R HN 0.076 nan 8.270 nan 0.000 0.455 82 T N -1.944 112.589 114.554 -0.035 0.000 2.942 82 T HA -0.052 4.298 4.350 0.000 0.000 0.265 82 T C 0.811 175.490 174.700 -0.036 0.000 1.062 82 T CA 0.734 62.815 62.100 -0.032 0.000 1.139 82 T CB -0.174 68.687 68.868 -0.012 0.000 0.883 82 T HN 0.589 nan 8.240 nan 0.000 0.468 83 T N 4.938 119.474 114.554 -0.031 0.000 2.851 83 T HA 0.408 4.758 4.350 0.000 0.000 0.298 83 T C -2.377 172.297 174.700 -0.042 0.000 0.977 83 T CA -1.226 60.858 62.100 -0.027 0.000 1.126 83 T CB 1.046 69.906 68.868 -0.013 0.000 0.916 83 T HN 0.268 nan 8.240 nan 0.000 0.529 84 P HA 0.361 nan 4.420 nan 0.000 0.276 84 P C -0.401 176.879 177.300 -0.032 0.000 1.244 84 P CA -0.609 62.465 63.100 -0.043 0.000 0.801 84 P CB 0.790 32.470 31.700 -0.033 0.000 1.006 85 I N 0.959 121.508 120.570 -0.034 0.000 2.428 85 I HA 0.186 4.357 4.170 0.000 0.000 0.289 85 I C 0.040 176.152 176.117 -0.010 0.000 1.019 85 I CA -0.652 60.638 61.300 -0.018 0.000 1.351 85 I CB 1.156 39.145 38.000 -0.017 0.000 1.412 85 I HN 0.000 nan 8.210 nan 0.000 0.513 86 V N 7.493 127.406 119.914 -0.001 0.000 2.407 86 V HA 0.400 4.520 4.120 0.000 0.000 0.291 86 V C -0.154 175.947 176.094 0.011 0.000 1.018 86 V CA -0.576 61.727 62.300 0.005 0.000 0.842 86 V CB 1.522 33.348 31.823 0.005 0.000 0.996 86 V HN 0.458 nan 8.190 nan 0.000 0.426 87 L N 3.850 125.083 121.223 0.017 0.000 2.296 87 L HA 0.373 4.714 4.340 0.000 0.000 0.286 87 L C 1.500 178.387 176.870 0.027 0.000 1.023 87 L CA -0.243 54.611 54.840 0.023 0.000 0.812 87 L CB 1.888 43.965 42.059 0.030 0.000 1.223 87 L HN 0.648 nan 8.230 nan 0.000 0.421 88 T N 0.423 114.990 114.554 0.023 0.000 2.833 88 T HA -0.086 4.264 4.350 0.000 0.000 0.269 88 T C 0.655 175.373 174.700 0.030 0.000 1.054 88 T CA 1.482 63.596 62.100 0.023 0.000 1.135 88 T CB -0.050 68.828 68.868 0.017 0.000 0.869 88 T HN 0.757 nan 8.240 nan 0.000 0.466 89 S N -0.527 115.192 115.700 0.032 0.000 2.552 89 S HA 0.603 5.073 4.470 0.000 0.000 0.272 89 S C -0.692 173.936 174.600 0.045 0.000 1.150 89 S CA -1.074 57.150 58.200 0.041 0.000 0.849 89 S CB 1.350 64.567 63.200 0.029 0.000 1.113 89 S HN 0.570 nan 8.310 nan 0.000 0.458 90 C N 1.103 120.441 119.300 0.064 0.000 3.318 90 C HA 0.841 5.301 4.460 0.000 0.000 0.329 90 C C -0.561 174.477 174.990 0.080 0.000 1.449 90 C CA -1.200 57.857 59.018 0.066 0.000 1.397 90 C CB -0.359 27.426 27.740 0.075 0.000 1.810 90 C HN 1.023 nan 8.230 nan 0.000 0.449 91 L N 1.299 122.574 121.223 0.087 0.000 2.418 91 L HA 0.621 4.961 4.340 0.000 0.000 0.265 91 L C -0.350 176.644 176.870 0.205 0.000 1.143 91 L CA -0.286 54.633 54.840 0.132 0.000 0.809 91 L CB 1.250 43.359 42.059 0.083 0.000 1.124 91 L HN 0.616 nan 8.230 nan 0.000 0.456 92 V N 1.128 121.175 119.914 0.221 0.000 2.407 92 V HA 0.169 4.289 4.120 0.000 0.000 0.291 92 V C -0.507 175.669 176.094 0.137 0.000 1.018 92 V CA -0.686 61.715 62.300 0.170 0.000 0.842 92 V CB 1.591 33.417 31.823 0.006 0.000 0.996 92 V HN 0.612 nan 8.190 nan 0.000 0.426 93 D N 3.635 124.093 120.400 0.097 0.000 2.336 93 D HA 0.126 4.766 4.640 0.000 0.000 0.249 93 D C 1.334 177.482 176.300 -0.254 0.000 1.213 93 D CA 0.235 54.100 54.000 -0.225 0.000 0.870 93 D CB 1.754 42.449 40.800 -0.175 0.000 1.076 93 D HN 0.711 nan 8.370 nan 0.000 0.483 94 T N 0.947 115.298 114.554 -0.340 0.000 3.081 94 T HA 0.058 4.409 4.350 0.000 0.000 0.250 94 T C 1.455 175.961 174.700 -0.323 0.000 1.100 94 T CA 0.331 62.277 62.100 -0.256 0.000 1.038 94 T CB 0.387 69.130 68.868 -0.208 0.000 0.962 94 T HN 0.111 nan 8.240 nan 0.000 0.516 95 K N 1.570 121.676 120.400 -0.490 0.000 2.157 95 K HA 0.301 4.621 4.320 0.000 0.000 0.207 95 K C 1.764 178.097 176.600 -0.445 0.000 1.030 95 K CA 0.646 56.618 56.287 -0.526 0.000 0.965 95 K CB 0.175 32.181 32.500 -0.824 0.000 0.877 95 K HN 0.136 nan 8.250 nan 0.000 0.460 96 N N 0.761 119.098 118.700 -0.606 0.000 2.236 96 N HA 0.045 4.785 4.740 0.000 0.000 0.196 96 N C -0.757 174.563 175.510 -0.317 0.000 1.114 96 N CA 0.202 52.919 53.050 -0.555 0.000 0.859 96 N CB 0.307 38.121 38.487 -1.122 0.000 0.982 96 N HN 0.204 nan 8.380 nan 0.000 0.493 97 N N 0.154 118.706 118.700 -0.247 0.000 2.740 97 N HA -0.157 4.583 4.740 0.000 0.000 0.248 97 N C -1.098 174.526 175.510 0.191 0.000 1.062 97 N CA 0.352 53.391 53.050 -0.018 0.000 0.704 97 N CB -0.800 37.693 38.487 0.010 0.000 0.968 97 N HN 0.308 nan 8.380 nan 0.000 0.547 98 W N 0.562 121.883 121.300 0.035 0.000 2.150 98 W HA 0.580 5.241 4.660 0.000 0.000 0.341 98 W C 0.582 177.148 176.519 0.079 0.000 1.276 98 W CA -1.172 56.211 57.345 0.064 0.000 1.238 98 W CB 0.133 29.653 29.460 0.100 0.000 1.128 98 W HN 0.136 nan 8.180 nan 0.000 0.581 99 A N 4.213 127.205 122.820 0.287 0.000 2.311 99 A HA 0.793 5.113 4.320 0.000 0.000 0.306 99 A C -1.061 176.604 177.584 0.136 0.000 1.189 99 A CA -0.607 51.537 52.037 0.179 0.000 0.791 99 A CB 0.266 19.333 19.000 0.111 0.000 1.172 99 A HN 0.509 nan 8.150 nan 0.000 0.481 100 I N 3.926 124.581 120.570 0.143 0.000 2.468 100 I HA 0.275 4.445 4.170 0.000 0.000 0.285 100 I C -0.859 175.305 176.117 0.078 0.000 1.039 100 I CA -0.645 60.714 61.300 0.098 0.000 1.074 100 I CB 1.834 39.909 38.000 0.125 0.000 1.228 100 I HN 0.395 nan 8.210 nan 0.000 0.436 101 I N 5.380 125.983 120.570 0.055 0.000 2.337 101 I HA 0.320 4.490 4.170 0.000 0.000 0.291 101 I C 0.978 177.120 176.117 0.041 0.000 1.046 101 I CA 0.344 61.673 61.300 0.048 0.000 1.324 101 I CB 0.420 38.448 38.000 0.046 0.000 1.409 101 I HN 0.671 nan 8.210 nan 0.000 0.494 102 G N 6.343 115.166 108.800 0.038 0.000 2.671 102 G HA2 0.386 4.346 3.960 0.000 0.000 0.275 102 G HA3 0.386 4.346 3.960 0.000 0.000 0.275 102 G C 0.871 175.787 174.900 0.026 0.000 1.368 102 G CA -0.494 44.623 45.100 0.028 0.000 1.044 102 G HN 0.539 nan 8.290 nan 0.000 0.543 103 R N -0.223 120.288 120.500 0.019 0.000 2.148 103 R HA -0.051 4.290 4.340 0.000 0.000 0.223 103 R C 2.118 178.430 176.300 0.020 0.000 1.088 103 R CA 1.392 57.504 56.100 0.019 0.000 0.985 103 R CB -0.073 30.235 30.300 0.014 0.000 0.880 103 R HN 0.694 nan 8.270 nan 0.000 0.451 104 D N 0.950 121.360 120.400 0.018 0.000 2.123 104 D HA -0.169 4.471 4.640 0.000 0.000 0.196 104 D C 1.651 177.964 176.300 0.022 0.000 0.992 104 D CA 1.591 55.602 54.000 0.018 0.000 0.833 104 D CB -0.355 40.455 40.800 0.016 0.000 0.954 104 D HN 0.163 nan 8.370 nan 0.000 0.455 105 A N 0.374 123.209 122.820 0.025 0.000 1.930 105 A HA 0.100 4.420 4.320 0.000 0.000 0.215 105 A C 2.538 180.143 177.584 0.035 0.000 1.176 105 A CA 0.663 52.716 52.037 0.027 0.000 0.632 105 A CB -0.776 18.241 19.000 0.027 0.000 0.819 105 A HN 0.246 nan 8.150 nan 0.000 0.445 106 L N -0.608 120.639 121.223 0.040 0.000 2.083 106 L HA -0.246 4.094 4.340 0.000 0.000 0.209 106 L C 2.861 179.758 176.870 0.045 0.000 1.083 106 L CA 1.794 56.663 54.840 0.050 0.000 0.752 106 L CB -0.472 41.614 42.059 0.045 0.000 0.899 106 L HN 0.602 nan 8.230 nan 0.000 0.433 107 Q N 0.031 119.852 119.800 0.033 0.000 2.084 107 Q HA -0.265 4.075 4.340 0.000 0.000 0.202 107 Q C 2.206 178.224 176.000 0.030 0.000 0.978 107 Q CA 1.645 57.465 55.803 0.029 0.000 0.844 107 Q CB -0.028 28.723 28.738 0.022 0.000 0.898 107 Q HN 0.537 nan 8.270 nan 0.000 0.426 108 Q N -0.539 119.279 119.800 0.028 0.000 2.226 108 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 108 Q C 1.975 177.996 176.000 0.035 0.000 0.975 108 Q CA 1.340 57.159 55.803 0.026 0.000 0.866 108 Q CB -0.021 28.728 28.738 0.018 0.000 0.915 108 Q HN 0.647 nan 8.270 nan 0.000 0.440 109 C N -1.032 118.299 119.300 0.052 0.000 2.589 109 C HA 0.328 4.788 4.460 0.000 0.000 0.307 109 C C 0.239 175.281 174.990 0.087 0.000 1.328 109 C CA -0.748 58.320 59.018 0.083 0.000 1.742 109 C CB -0.973 26.842 27.740 0.125 0.000 2.037 109 C HN 0.421 nan 8.230 nan 0.000 0.592 110 Q N 0.597 120.430 119.800 0.056 0.000 2.434 110 Q HA -0.156 4.184 4.340 0.000 0.000 0.299 110 Q C 0.687 176.713 176.000 0.042 0.000 1.286 110 Q CA 0.738 56.566 55.803 0.042 0.000 0.872 110 Q CB -1.780 26.979 28.738 0.034 0.000 1.193 110 Q HN 0.971 nan 8.270 nan 0.000 0.466 111 G N 0.286 109.117 108.800 0.052 0.000 2.442 111 G HA2 0.448 4.409 3.960 0.000 0.000 0.249 111 G HA3 0.448 4.409 3.960 0.000 0.000 0.249 111 G C 0.185 175.105 174.900 0.034 0.000 1.263 111 G CA 0.183 45.311 45.100 0.046 0.000 0.846 111 G HN 0.488 nan 8.290 nan 0.000 0.555 112 V N 0.814 120.746 119.914 0.030 0.000 2.962 112 V HA 0.689 4.809 4.120 0.000 0.000 0.313 112 V C -0.188 175.937 176.094 0.053 0.000 1.099 112 V CA -1.409 60.915 62.300 0.039 0.000 0.971 112 V CB 1.885 33.731 31.823 0.038 0.000 1.028 112 V HN 0.624 nan 8.190 nan 0.000 0.430 113 L N 3.211 124.470 121.223 0.060 0.000 2.292 113 L HA 0.516 4.856 4.340 0.000 0.000 0.284 113 L C -1.229 175.720 176.870 0.132 0.000 1.065 113 L CA -0.559 54.323 54.840 0.070 0.000 0.806 113 L CB 1.354 43.436 42.059 0.037 0.000 1.175 113 L HN 0.892 nan 8.230 nan 0.000 0.431 114 Y N 5.184 125.478 120.300 -0.011 0.000 2.331 114 Y HA 0.537 5.087 4.550 0.000 0.000 0.334 114 Y C -1.292 174.602 175.900 -0.011 0.000 0.960 114 Y CA -1.087 57.006 58.100 -0.011 0.000 1.130 114 Y CB 1.121 39.572 38.460 -0.015 0.000 1.164 114 Y HN 0.326 nan 8.280 nan 0.000 0.458 115 L N 8.839 129.728 121.223 -0.557 0.000 2.319 115 L HA 0.553 4.893 4.340 0.000 0.000 0.281 115 L C -2.001 174.370 176.870 -0.831 0.000 1.005 115 L CA -1.925 52.590 54.840 -0.542 0.000 0.828 115 L CB 1.069 42.985 42.059 -0.238 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 62.783 63.100 -0.528 0.000 0.800 116 P CB 0.000 31.556 31.700 -0.240 0.000 0.726