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 2b7f_1_A 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 0.000 177.320 177.300 0.033 0.000 1.155 1 P CA 0.000 63.123 63.100 0.038 0.000 0.800 1 P CB 0.000 31.733 31.700 0.055 0.000 0.726 2 V N 2.207 122.140 119.914 0.031 0.000 2.353 2 V HA 0.211 4.331 4.120 0.000 0.000 0.264 2 V C 0.463 176.581 176.094 0.040 0.000 1.049 2 V CA -0.252 62.070 62.300 0.037 0.000 0.896 2 V CB 0.350 32.195 31.823 0.036 0.000 1.025 2 V HN 0.363 nan 8.190 nan 0.000 0.475 3 I N 8.773 129.368 120.570 0.042 0.000 2.337 3 I HA 0.326 4.496 4.170 0.000 0.000 0.291 3 I C -1.794 174.346 176.117 0.038 0.000 1.046 3 I CA -1.382 59.941 61.300 0.038 0.000 1.324 3 I CB 0.907 38.928 38.000 0.034 0.000 1.409 3 I HN 0.471 nan 8.210 nan 0.000 0.494 4 P HA 0.329 nan 4.420 nan 0.000 0.275 4 P C -0.921 176.393 177.300 0.023 0.000 1.227 4 P CA -0.386 62.732 63.100 0.030 0.000 0.781 4 P CB 0.543 32.258 31.700 0.026 0.000 0.906 5 L N 2.454 123.688 121.223 0.017 0.000 2.322 5 L HA 0.596 4.936 4.340 0.000 0.000 0.279 5 L C 0.109 176.985 176.870 0.009 0.000 1.036 5 L CA -0.275 54.572 54.840 0.012 0.000 0.807 5 L CB 1.194 43.257 42.059 0.006 0.000 1.226 5 L HN 0.355 nan 8.230 nan 0.000 0.433 6 D N 3.265 123.671 120.400 0.010 0.000 2.861 6 D HA 0.233 4.873 4.640 0.000 0.000 0.216 6 D C -2.008 174.299 176.300 0.011 0.000 1.323 6 D CA -1.312 52.694 54.000 0.010 0.000 0.917 6 D CB 2.462 43.271 40.800 0.014 0.000 1.582 6 D HN 0.134 nan 8.370 nan 0.000 0.576 7 P HA -0.018 nan 4.420 nan 0.000 0.220 7 P C 0.884 178.194 177.300 0.016 0.000 1.148 7 P CA 0.586 63.693 63.100 0.011 0.000 0.803 7 P CB 0.287 31.992 31.700 0.008 0.000 0.782 8 A N -0.357 122.473 122.820 0.016 0.000 2.218 8 A HA 0.072 4.392 4.320 0.000 0.000 0.209 8 A C 1.177 178.775 177.584 0.023 0.000 1.168 8 A CA 0.119 52.167 52.037 0.020 0.000 0.804 8 A CB -0.280 18.730 19.000 0.017 0.000 0.834 8 A HN 0.123 nan 8.150 nan 0.000 0.482 9 R N 1.282 121.796 120.500 0.023 0.000 2.407 9 R HA 0.271 4.611 4.340 0.000 0.000 0.298 9 R C -0.880 175.438 176.300 0.029 0.000 1.166 9 R CA -0.853 55.262 56.100 0.026 0.000 1.006 9 R CB 1.067 31.381 30.300 0.023 0.000 1.145 9 R HN 0.201 nan 8.270 nan 0.000 0.538 10 R N 2.747 123.269 120.500 0.036 0.000 2.523 10 R HA 0.015 4.355 4.340 0.000 0.000 0.281 10 R C -2.040 174.281 176.300 0.036 0.000 0.969 10 R CA -1.123 55.002 56.100 0.041 0.000 1.093 10 R CB -0.183 30.152 30.300 0.059 0.000 0.917 10 R HN 0.378 nan 8.270 nan 0.000 0.408 11 P HA 0.074 nan 4.420 nan 0.000 0.273 11 P C -0.277 177.042 177.300 0.032 0.000 1.428 11 P CA -0.243 62.874 63.100 0.028 0.000 0.995 11 P CB 0.560 32.274 31.700 0.023 0.000 1.286 12 V N 2.410 122.344 119.914 0.034 0.000 2.769 12 V HA 0.672 4.792 4.120 0.000 0.000 0.312 12 V C -0.245 175.866 176.094 0.027 0.000 1.058 12 V CA -1.126 61.196 62.300 0.036 0.000 0.952 12 V CB 2.393 34.242 31.823 0.043 0.000 1.019 12 V HN 0.377 nan 8.190 nan 0.000 0.445 13 I N 1.597 122.180 120.570 0.023 0.000 2.892 13 I HA 0.599 4.769 4.170 0.000 0.000 0.306 13 I C -0.735 175.381 176.117 -0.002 0.000 1.078 13 I CA -1.044 60.262 61.300 0.009 0.000 1.032 13 I CB 2.323 40.328 38.000 0.008 0.000 1.229 13 I HN 0.610 nan 8.210 nan 0.000 0.435 14 K N 4.885 125.270 120.400 -0.024 0.000 2.262 14 K HA 0.613 4.933 4.320 0.000 0.000 0.282 14 K C -0.911 175.660 176.600 -0.048 0.000 1.066 14 K CA -0.299 55.965 56.287 -0.038 0.000 0.901 14 K CB 1.234 33.697 32.500 -0.061 0.000 1.089 14 K HN 0.592 nan 8.250 nan 0.000 0.476 15 A N 2.915 125.717 122.820 -0.030 0.000 2.386 15 A HA 0.377 4.697 4.320 0.000 0.000 0.311 15 A C -0.787 176.779 177.584 -0.030 0.000 1.068 15 A CA -0.703 51.316 52.037 -0.030 0.000 0.743 15 A CB 1.252 20.246 19.000 -0.010 0.000 1.258 15 A HN 0.651 nan 8.150 nan 0.000 0.429 16 Q N 1.807 121.586 119.800 -0.035 0.000 2.296 16 Q HA 0.567 4.907 4.340 0.000 0.000 0.257 16 Q C -1.556 174.427 176.000 -0.028 0.000 0.942 16 Q CA -0.282 55.502 55.803 -0.033 0.000 0.939 16 Q CB 1.061 29.779 28.738 -0.035 0.000 1.198 16 Q HN 0.528 nan 8.270 nan 0.000 0.429 17 V N 4.084 123.977 119.914 -0.035 0.000 2.495 17 V HA 0.267 4.387 4.120 0.000 0.000 0.298 17 V C -0.698 175.353 176.094 -0.071 0.000 1.031 17 V CA -0.709 61.565 62.300 -0.044 0.000 0.871 17 V CB 1.840 33.636 31.823 -0.046 0.000 0.988 17 V HN 0.764 nan 8.190 nan 0.000 0.432 18 D N 2.829 123.188 120.400 -0.068 0.000 2.462 18 D HA 0.232 4.872 4.640 0.000 0.000 0.245 18 D C 1.081 177.320 176.300 -0.101 0.000 1.122 18 D CA -0.115 53.838 54.000 -0.078 0.000 0.864 18 D CB 2.030 42.805 40.800 -0.043 0.000 1.098 18 D HN 0.662 nan 8.370 nan 0.000 0.541 19 T N 0.370 114.809 114.554 -0.192 0.000 3.088 19 T HA -0.072 4.278 4.350 0.000 0.000 0.259 19 T C 0.915 175.581 174.700 -0.056 0.000 1.122 19 T CA 0.334 62.303 62.100 -0.219 0.000 1.095 19 T CB -0.233 68.216 68.868 -0.699 0.000 0.930 19 T HN 0.601 nan 8.240 nan 0.000 0.508 20 Q N 0.309 120.075 119.800 -0.057 0.000 2.468 20 Q HA -0.221 4.119 4.340 0.000 0.000 0.256 20 Q C 0.944 176.935 176.000 -0.016 0.000 0.984 20 Q CA 1.322 57.107 55.803 -0.029 0.000 1.110 20 Q CB -2.734 26.004 28.738 0.001 0.000 1.527 20 Q HN 0.873 nan 8.270 nan 0.000 0.535 21 T N -4.782 109.756 114.554 -0.027 0.000 3.041 21 T HA 0.330 4.680 4.350 0.000 0.000 0.276 21 T C 0.282 174.966 174.700 -0.028 0.000 0.948 21 T CA 0.563 62.667 62.100 0.006 0.000 0.885 21 T CB 0.753 69.686 68.868 0.108 0.000 1.175 21 T HN 0.298 nan 8.240 nan 0.000 0.529 22 S N 0.107 115.762 115.700 -0.076 0.000 2.643 22 S HA 0.478 4.948 4.470 0.000 0.000 0.270 22 S C -1.109 173.439 174.600 -0.087 0.000 1.166 22 S CA -1.147 57.013 58.200 -0.066 0.000 0.815 22 S CB 0.626 63.831 63.200 0.008 0.000 1.139 22 S HN 0.368 nan 8.310 nan 0.000 0.472 23 H N 1.103 120.145 119.070 -0.047 0.000 2.852 23 H HA 0.213 4.769 4.556 0.000 0.000 0.362 23 H C -2.352 172.939 175.328 -0.062 0.000 1.122 23 H CA -0.356 55.666 56.048 -0.044 0.000 1.419 23 H CB -0.341 29.401 29.762 -0.033 0.000 1.401 23 H HN 0.297 nan 8.280 nan 0.000 0.609 24 P HA 0.109 nan 4.420 nan 0.000 0.269 24 P C -0.380 176.921 177.300 0.001 0.000 1.215 24 P CA 0.220 63.319 63.100 -0.002 0.000 0.780 24 P CB 0.800 32.499 31.700 -0.000 0.000 0.898 25 K N 0.499 120.882 120.400 -0.028 0.000 2.501 25 K HA 0.367 4.687 4.320 0.000 0.000 0.252 25 K C -0.994 175.587 176.600 -0.031 0.000 0.934 25 K CA -0.581 55.689 56.287 -0.028 0.000 0.797 25 K CB 2.028 34.507 32.500 -0.036 0.000 1.270 25 K HN 0.257 nan 8.250 nan 0.000 0.431 26 T N 3.774 118.311 114.554 -0.029 0.000 2.728 26 T HA 0.397 4.747 4.350 0.000 0.000 0.296 26 T C 0.292 174.979 174.700 -0.023 0.000 0.940 26 T CA -0.441 61.641 62.100 -0.030 0.000 1.013 26 T CB -0.268 68.577 68.868 -0.037 0.000 0.912 26 T HN 0.477 nan 8.240 nan 0.000 0.484 27 I N -0.194 120.367 120.570 -0.015 0.000 2.957 27 I HA 0.689 4.859 4.170 0.000 0.000 0.310 27 I C -0.289 175.831 176.117 0.005 0.000 1.063 27 I CA -1.267 60.032 61.300 -0.002 0.000 1.033 27 I CB 2.110 40.116 38.000 0.010 0.000 1.230 27 I HN 0.359 nan 8.210 nan 0.000 0.447 28 E N 2.521 122.731 120.200 0.016 0.000 2.200 28 E HA 0.631 4.981 4.350 0.000 0.000 0.283 28 E C -1.158 175.470 176.600 0.048 0.000 1.015 28 E CA -0.712 55.702 56.400 0.024 0.000 0.819 28 E CB 1.420 31.135 29.700 0.025 0.000 1.081 28 E HN 0.824 nan 8.360 nan 0.000 0.397 29 A N 4.586 127.435 122.820 0.048 0.000 2.365 29 A HA 0.412 4.732 4.320 0.000 0.000 0.318 29 A C -1.138 176.487 177.584 0.068 0.000 1.091 29 A CA -0.795 51.284 52.037 0.070 0.000 0.763 29 A CB 1.151 20.186 19.000 0.058 0.000 1.248 29 A HN 0.646 nan 8.150 nan 0.000 0.442 30 L N 2.629 123.905 121.223 0.089 0.000 2.360 30 L HA 0.336 4.676 4.340 0.000 0.000 0.276 30 L C -0.387 176.503 176.870 0.034 0.000 1.121 30 L CA 0.106 54.986 54.840 0.066 0.000 0.845 30 L CB 0.157 42.265 42.059 0.082 0.000 1.143 30 L HN 0.599 nan 8.230 nan 0.000 0.452 31 L N 5.380 126.617 121.223 0.024 0.000 2.385 31 L HA 0.232 4.572 4.340 0.000 0.000 0.281 31 L C -0.486 176.383 176.870 -0.002 0.000 1.106 31 L CA 0.086 54.933 54.840 0.012 0.000 0.856 31 L CB 0.277 42.346 42.059 0.017 0.000 1.186 31 L HN 0.648 nan 8.230 nan 0.000 0.453 32 D N 1.728 122.119 120.400 -0.015 0.000 2.330 32 D HA 0.072 4.712 4.640 0.000 0.000 0.249 32 D C 1.138 177.414 176.300 -0.041 0.000 1.306 32 D CA -0.369 53.609 54.000 -0.037 0.000 0.956 32 D CB 1.248 42.010 40.800 -0.064 0.000 1.261 32 D HN 0.544 nan 8.370 nan 0.000 0.544 33 T N -0.380 114.155 114.554 -0.032 0.000 2.946 33 T HA -0.030 4.320 4.350 0.000 0.000 0.271 33 T C 1.632 176.306 174.700 -0.043 0.000 1.104 33 T CA 0.891 62.973 62.100 -0.029 0.000 1.114 33 T CB -0.023 68.833 68.868 -0.019 0.000 0.867 33 T HN 0.315 nan 8.240 nan 0.000 0.513 34 G N 0.438 109.203 108.800 -0.059 0.000 3.233 34 G HA2 0.535 4.495 3.960 0.000 0.000 0.227 34 G HA3 0.535 4.495 3.960 0.000 0.000 0.227 34 G C 0.285 175.130 174.900 -0.092 0.000 1.175 34 G CA -0.051 45.006 45.100 -0.072 0.000 0.781 34 G HN 0.808 nan 8.290 nan 0.000 0.542 35 A N 0.458 123.225 122.820 -0.090 0.000 2.273 35 A HA 0.525 4.845 4.320 0.000 0.000 0.315 35 A C 0.742 178.277 177.584 -0.082 0.000 1.256 35 A CA -0.540 51.433 52.037 -0.107 0.000 0.851 35 A CB 0.882 19.812 19.000 -0.117 0.000 1.172 35 A HN 0.080 nan 8.150 nan 0.000 0.508 36 D N 1.960 122.308 120.400 -0.086 0.000 2.144 36 D HA -0.062 4.578 4.640 0.000 0.000 0.199 36 D C 0.540 176.806 176.300 -0.057 0.000 0.984 36 D CA 1.696 55.657 54.000 -0.065 0.000 0.834 36 D CB 0.026 40.788 40.800 -0.063 0.000 0.955 36 D HN 0.624 nan 8.370 nan 0.000 0.465 37 M N -0.644 118.912 119.600 -0.073 0.000 2.619 37 M HA 0.227 4.707 4.480 0.000 0.000 0.297 37 M C -0.225 176.044 176.300 -0.053 0.000 1.229 37 M CA -0.537 54.731 55.300 -0.053 0.000 0.860 37 M CB 2.721 35.289 32.600 -0.053 0.000 1.741 37 M HN -0.383 nan 8.290 nan 0.000 0.462 38 T N 1.520 116.064 114.554 -0.017 0.000 2.898 38 T HA 0.374 4.724 4.350 0.000 0.000 0.301 38 T C -0.508 174.208 174.700 0.025 0.000 1.049 38 T CA -0.265 61.839 62.100 0.007 0.000 1.095 38 T CB 0.509 69.395 68.868 0.030 0.000 0.976 38 T HN 0.375 nan 8.240 nan 0.000 0.539 39 V N 3.978 123.927 119.914 0.058 0.000 2.540 39 V HA 0.566 4.686 4.120 0.000 0.000 0.302 39 V C -0.295 175.924 176.094 0.208 0.000 1.035 39 V CA -0.729 61.652 62.300 0.135 0.000 0.873 39 V CB 1.529 33.431 31.823 0.131 0.000 0.992 39 V HN 0.717 nan 8.190 nan 0.000 0.428 40 I N 5.918 126.647 120.570 0.265 0.000 2.545 40 I HA 0.465 4.635 4.170 0.000 0.000 0.292 40 I C -2.611 173.706 176.117 0.333 0.000 1.040 40 I CA -2.172 59.296 61.300 0.280 0.000 1.068 40 I CB 3.046 41.233 38.000 0.311 0.000 1.251 40 I HN 0.434 nan 8.210 nan 0.000 0.424 41 P HA 0.139 nan 4.420 nan 0.000 0.267 41 P C 0.869 178.344 177.300 0.292 0.000 1.205 41 P CA 0.028 63.258 63.100 0.217 0.000 0.765 41 P CB 0.768 32.547 31.700 0.131 0.000 0.828 42 I N 3.475 124.170 120.570 0.208 0.000 2.423 42 I HA -0.303 3.867 4.170 0.000 0.000 0.254 42 I C 1.818 178.110 176.117 0.290 0.000 1.151 42 I CA 1.515 62.945 61.300 0.216 0.000 1.421 42 I CB -0.130 37.891 38.000 0.034 0.000 1.079 42 I HN 0.369 nan 8.210 nan 0.000 0.431 43 A N 0.272 123.195 122.820 0.172 0.000 2.076 43 A HA -0.136 4.184 4.320 0.000 0.000 0.220 43 A C 2.107 179.757 177.584 0.111 0.000 1.160 43 A CA 1.219 53.324 52.037 0.113 0.000 0.653 43 A CB -0.752 18.281 19.000 0.055 0.000 0.801 43 A HN 0.538 nan 8.150 nan 0.000 0.455 44 L N -1.433 119.861 121.223 0.118 0.000 2.591 44 L HA 0.156 4.496 4.340 0.000 0.000 0.228 44 L C -0.372 176.341 176.870 -0.260 0.000 1.133 44 L CA 0.058 54.835 54.840 -0.104 0.000 0.880 44 L CB -0.279 41.629 42.059 -0.251 0.000 1.033 44 L HN 0.289 nan 8.230 nan 0.000 0.450 45 F N -0.313 119.651 119.950 0.023 0.000 2.450 45 F HA 0.224 4.751 4.527 0.000 0.000 0.332 45 F C 1.061 176.870 175.800 0.016 0.000 1.093 45 F CA -1.160 56.852 58.000 0.019 0.000 1.003 45 F CB 1.262 40.273 39.000 0.019 0.000 1.151 45 F HN -0.161 nan 8.300 nan 0.000 0.474 46 S N 0.628 116.432 115.700 0.174 0.000 2.563 46 S HA -0.016 4.454 4.470 0.000 0.000 0.294 46 S C 0.438 175.102 174.600 0.108 0.000 1.279 46 S CA -0.653 57.612 58.200 0.108 0.000 1.069 46 S CB 0.350 63.594 63.200 0.074 0.000 0.828 46 S HN 0.576 nan 8.310 nan 0.000 0.497 47 S N 3.003 118.747 115.700 0.073 0.000 3.544 47 S HA 0.156 4.626 4.470 0.000 0.000 0.227 47 S C 0.778 175.399 174.600 0.034 0.000 1.387 47 S CA -0.026 58.206 58.200 0.052 0.000 1.182 47 S CB -1.321 61.901 63.200 0.037 0.000 1.243 47 S HN 0.924 nan 8.310 nan 0.000 0.467 48 N N -0.196 118.528 118.700 0.039 0.000 1.903 48 N HA -0.029 4.711 4.740 0.000 0.000 0.220 48 N C -0.913 174.616 175.510 0.032 0.000 1.427 48 N CA 0.025 53.093 53.050 0.029 0.000 0.697 48 N CB 0.519 39.024 38.487 0.031 0.000 1.097 48 N HN 0.113 nan 8.380 nan 0.000 0.564 49 T N 1.622 116.201 114.554 0.041 0.000 2.837 49 T HA 0.536 4.886 4.350 0.000 0.000 0.285 49 T C -2.578 172.123 174.700 0.001 0.000 0.984 49 T CA -0.891 61.234 62.100 0.041 0.000 1.049 49 T CB 1.506 70.427 68.868 0.088 0.000 0.947 49 T HN 0.027 nan 8.240 nan 0.000 0.472 50 P HA 0.587 nan 4.420 nan 0.000 0.279 50 P C -1.129 176.145 177.300 -0.044 0.000 1.239 50 P CA -0.598 62.491 63.100 -0.018 0.000 0.789 50 P CB 0.612 32.308 31.700 -0.005 0.000 0.933 51 L N 1.710 122.898 121.223 -0.058 0.000 2.464 51 L HA 0.428 4.768 4.340 0.000 0.000 0.266 51 L C 0.159 177.001 176.870 -0.047 0.000 0.965 51 L CA -0.884 53.906 54.840 -0.082 0.000 0.833 51 L CB 2.442 44.419 42.059 -0.138 0.000 1.296 51 L HN 0.258 nan 8.230 nan 0.000 0.405 52 K N 1.382 121.762 120.400 -0.033 0.000 2.090 52 K HA 0.361 4.681 4.320 0.000 0.000 0.250 52 K C -0.519 176.078 176.600 -0.005 0.000 1.004 52 K CA -0.916 55.363 56.287 -0.014 0.000 0.919 52 K CB 0.753 33.250 32.500 -0.005 0.000 1.045 52 K HN 0.384 nan 8.250 nan 0.000 0.471 53 N N 0.485 119.187 118.700 0.004 0.000 2.513 53 N HA 0.235 4.975 4.740 0.000 0.000 0.274 53 N C -0.417 175.110 175.510 0.027 0.000 1.189 53 N CA 0.161 53.221 53.050 0.017 0.000 0.975 53 N CB 1.477 39.973 38.487 0.014 0.000 1.157 53 N HN 0.484 nan 8.380 nan 0.000 0.465 54 T N -1.430 113.152 114.554 0.046 0.000 2.830 54 T HA 0.469 4.819 4.350 0.000 0.000 0.322 54 T C -1.558 173.184 174.700 0.070 0.000 1.501 54 T CA -0.717 61.413 62.100 0.050 0.000 1.036 54 T CB 0.515 69.412 68.868 0.050 0.000 1.379 54 T HN 0.484 nan 8.240 nan 0.000 0.493 55 S N 1.745 117.475 115.700 0.050 0.000 2.513 55 S HA 0.862 5.332 4.470 0.000 0.000 0.299 55 S C -1.212 173.407 174.600 0.032 0.000 1.087 55 S CA -0.484 57.750 58.200 0.056 0.000 1.012 55 S CB 1.589 64.811 63.200 0.036 0.000 1.044 55 S HN 0.633 nan 8.310 nan 0.000 0.485 56 V N 3.858 123.797 119.914 0.041 0.000 2.789 56 V HA 0.503 4.623 4.120 0.000 0.000 0.311 56 V C -0.630 175.447 176.094 -0.028 0.000 1.073 56 V CA -0.898 61.381 62.300 -0.035 0.000 0.921 56 V CB 1.937 33.692 31.823 -0.115 0.000 1.009 56 V HN 0.981 nan 8.190 nan 0.000 0.426 57 L N 3.933 125.118 121.223 -0.062 0.000 2.257 57 L HA 0.780 5.120 4.340 0.000 0.000 0.290 57 L C 0.552 177.377 176.870 -0.076 0.000 1.044 57 L CA 0.163 54.972 54.840 -0.053 0.000 0.810 57 L CB 0.759 42.790 42.059 -0.047 0.000 1.193 57 L HN 0.826 nan 8.230 nan 0.000 0.425 58 G N 1.842 110.608 108.800 -0.057 0.000 2.735 58 G HA2 0.507 4.467 3.960 0.000 0.000 0.301 58 G HA3 0.507 4.467 3.960 0.000 0.000 0.301 58 G C 0.603 175.472 174.900 -0.052 0.000 1.279 58 G CA 0.051 45.111 45.100 -0.067 0.000 1.019 58 G HN 0.764 nan 8.290 nan 0.000 0.497 59 A N -0.647 122.141 122.820 -0.053 0.000 1.940 59 A HA 0.106 4.426 4.320 0.000 0.000 0.219 59 A C 2.155 179.727 177.584 -0.019 0.000 1.176 59 A CA 2.130 54.145 52.037 -0.036 0.000 0.631 59 A CB -0.733 18.247 19.000 -0.033 0.000 0.814 59 A HN 1.317 nan 8.150 nan 0.000 0.446 60 G N -0.930 107.862 108.800 -0.014 0.000 3.424 60 G HA2 0.499 4.459 3.960 0.000 0.000 0.263 60 G HA3 0.499 4.459 3.960 0.000 0.000 0.263 60 G C 0.775 175.668 174.900 -0.013 0.000 1.310 60 G CA 0.560 45.655 45.100 -0.008 0.000 1.089 60 G HN 1.568 nan 8.290 nan 0.000 0.534 61 G N -0.648 108.142 108.800 -0.017 0.000 2.795 61 G HA2 -0.200 3.760 3.960 0.000 0.000 0.664 61 G HA3 -0.200 3.760 3.960 0.000 0.000 0.664 61 G C -0.141 174.751 174.900 -0.013 0.000 1.381 61 G CA -0.837 44.255 45.100 -0.013 0.000 0.853 61 G HN 0.474 nan 8.290 nan 0.000 0.545 62 Q N -0.331 119.466 119.800 -0.005 0.000 2.304 62 Q HA 0.370 4.710 4.340 0.000 0.000 0.301 62 Q C 0.442 176.454 176.000 0.020 0.000 1.063 62 Q CA 1.449 57.255 55.803 0.006 0.000 0.947 62 Q CB 0.635 29.378 28.738 0.010 0.000 1.201 62 Q HN 0.786 nan 8.270 nan 0.000 0.389 63 T N 1.907 116.487 114.554 0.043 0.000 2.886 63 T HA 0.257 4.607 4.350 0.000 0.000 0.292 63 T C 0.048 174.821 174.700 0.121 0.000 1.012 63 T CA -0.472 61.675 62.100 0.077 0.000 0.982 63 T CB 1.228 70.108 68.868 0.020 0.000 1.018 63 T HN 0.604 nan 8.240 nan 0.000 0.451 64 Q N 1.982 121.852 119.800 0.116 0.000 2.280 64 Q HA 0.121 4.461 4.340 0.000 0.000 0.228 64 Q C 0.278 176.341 176.000 0.106 0.000 0.857 64 Q CA 0.128 55.992 55.803 0.101 0.000 0.939 64 Q CB 0.701 29.477 28.738 0.063 0.000 1.114 64 Q HN 0.654 nan 8.270 nan 0.000 0.514 65 D N -0.529 119.949 120.400 0.130 0.000 2.355 65 D HA -0.005 4.635 4.640 0.000 0.000 0.206 65 D C 1.442 177.754 176.300 0.020 0.000 1.010 65 D CA 0.649 54.689 54.000 0.066 0.000 0.875 65 D CB 0.230 41.051 40.800 0.036 0.000 0.966 65 D HN 0.280 nan 8.370 nan 0.000 0.512 66 H N -1.209 117.822 119.070 -0.064 0.000 2.465 66 H HA 0.123 4.679 4.556 0.000 0.000 0.289 66 H C -0.053 174.968 175.328 -0.512 0.000 1.022 66 H CA 0.475 56.351 56.048 -0.286 0.000 1.340 66 H CB 0.638 30.182 29.762 -0.365 0.000 1.437 66 H HN 0.042 nan 8.280 nan 0.000 0.539 67 F N 1.292 121.335 119.950 0.155 0.000 2.495 67 F HA 0.315 4.842 4.527 -0.000 0.000 0.327 67 F C 0.280 176.094 175.800 0.024 0.000 1.103 67 F CA -0.931 57.118 58.000 0.081 0.000 0.949 67 F CB 1.469 40.516 39.000 0.077 0.000 1.142 67 F HN -0.302 nan 8.300 nan 0.000 0.457 68 K N 2.147 122.629 120.400 0.137 0.000 2.168 68 K HA 0.631 4.951 4.320 0.000 0.000 0.239 68 K C -1.083 175.546 176.600 0.048 0.000 0.999 68 K CA -0.989 55.328 56.287 0.049 0.000 0.900 68 K CB 2.182 34.657 32.500 -0.043 0.000 1.111 68 K HN 0.527 nan 8.250 nan 0.000 0.452 69 L N 0.386 121.615 121.223 0.010 0.000 2.334 69 L HA 0.357 4.697 4.340 0.000 0.000 0.272 69 L C -0.069 176.780 176.870 -0.034 0.000 1.020 69 L CA -0.203 54.639 54.840 0.003 0.000 0.812 69 L CB 1.629 43.694 42.059 0.010 0.000 1.264 69 L HN 0.761 nan 8.230 nan 0.000 0.439 70 T N -0.588 113.957 114.554 -0.016 0.000 2.897 70 T HA 0.230 4.580 4.350 0.000 0.000 0.294 70 T C 0.999 175.705 174.700 0.010 0.000 1.004 70 T CA -0.391 61.701 62.100 -0.014 0.000 1.106 70 T CB 1.131 70.048 68.868 0.081 0.000 0.949 70 T HN 0.614 nan 8.240 nan 0.000 0.520 71 S N 2.032 117.738 115.700 0.010 0.000 2.371 71 S HA 0.103 4.573 4.470 0.000 0.000 0.224 71 S C 0.889 175.511 174.600 0.036 0.000 1.029 71 S CA 0.452 58.663 58.200 0.019 0.000 0.978 71 S CB -0.429 62.780 63.200 0.015 0.000 0.833 71 S HN 0.595 nan 8.310 nan 0.000 0.466 72 L N 1.772 123.031 121.223 0.061 0.000 2.352 72 L HA 0.448 4.788 4.340 0.000 0.000 0.269 72 L C -2.558 174.355 176.870 0.072 0.000 1.034 72 L CA -2.673 52.205 54.840 0.062 0.000 0.806 72 L CB 0.388 42.490 42.059 0.071 0.000 1.244 72 L HN -0.082 nan 8.230 nan 0.000 0.447 73 P HA 0.055 nan 4.420 nan 0.000 0.270 73 P C -1.014 176.323 177.300 0.063 0.000 1.227 73 P CA -0.153 62.978 63.100 0.052 0.000 0.788 73 P CB 0.596 32.316 31.700 0.033 0.000 0.926 74 V N 1.954 121.903 119.914 0.058 0.000 2.588 74 V HA 0.280 4.400 4.120 0.000 0.000 0.304 74 V C -0.307 175.803 176.094 0.026 0.000 1.042 74 V CA -0.593 61.737 62.300 0.050 0.000 0.877 74 V CB 1.566 33.439 31.823 0.082 0.000 0.996 74 V HN 0.260 nan 8.190 nan 0.000 0.425 75 L N 5.919 127.147 121.223 0.008 0.000 2.322 75 L HA 0.624 4.964 4.340 0.000 0.000 0.279 75 L C -0.276 176.592 176.870 -0.002 0.000 1.036 75 L CA -0.044 54.798 54.840 0.004 0.000 0.807 75 L CB 1.314 43.372 42.059 -0.001 0.000 1.226 75 L HN 0.431 nan 8.230 nan 0.000 0.433 76 I N 2.769 123.339 120.570 0.002 0.000 2.478 76 I HA 0.427 4.597 4.170 0.000 0.000 0.287 76 I C -0.279 175.836 176.117 -0.003 0.000 1.042 76 I CA -0.638 60.661 61.300 -0.002 0.000 1.067 76 I CB 1.772 39.775 38.000 0.006 0.000 1.233 76 I HN 0.509 nan 8.210 nan 0.000 0.431 77 R N 5.944 126.438 120.500 -0.011 0.000 2.346 77 R HA 0.686 5.026 4.340 0.000 0.000 0.311 77 R C -0.796 175.488 176.300 -0.026 0.000 0.983 77 R CA -0.606 55.486 56.100 -0.014 0.000 0.880 77 R CB 1.633 31.923 30.300 -0.016 0.000 1.100 77 R HN 0.501 nan 8.270 nan 0.000 0.453 78 L N 3.579 124.789 121.223 -0.022 0.000 2.400 78 L HA 0.510 4.850 4.340 0.000 0.000 0.264 78 L C -1.965 174.854 176.870 -0.086 0.000 1.061 78 L CA -2.531 52.285 54.840 -0.038 0.000 0.799 78 L CB 0.906 42.960 42.059 -0.009 0.000 1.240 78 L HN 0.323 nan 8.230 nan 0.000 0.461 79 P HA 0.026 nan 4.420 nan 0.000 0.262 79 P C -0.689 176.423 177.300 -0.312 0.000 1.182 79 P CA 0.218 63.054 63.100 -0.439 0.000 0.761 79 P CB -0.016 31.312 31.700 -0.621 0.000 0.795 80 F N 0.532 120.484 119.950 0.004 0.000 2.965 80 F HA -0.203 4.324 4.527 0.000 0.000 0.287 80 F C 0.381 176.183 175.800 0.003 0.000 0.790 80 F CA 0.537 58.539 58.000 0.003 0.000 1.279 80 F CB -1.725 37.277 39.000 0.003 0.000 1.409 80 F HN 0.328 nan 8.300 nan 0.000 0.446 81 R N -0.263 120.300 120.500 0.105 0.000 2.502 81 R HA 0.547 4.887 4.340 0.000 0.000 0.300 81 R C 1.022 177.347 176.300 0.042 0.000 0.984 81 R CA 0.138 56.283 56.100 0.075 0.000 0.882 81 R CB 1.158 31.492 30.300 0.056 0.000 1.180 81 R HN 0.130 nan 8.270 nan 0.000 0.444 82 T N -1.397 113.182 114.554 0.042 0.000 2.857 82 T HA -0.049 4.301 4.350 0.000 0.000 0.266 82 T C 0.878 175.589 174.700 0.019 0.000 1.048 82 T CA 1.041 63.157 62.100 0.027 0.000 1.139 82 T CB 0.006 68.889 68.868 0.026 0.000 0.874 82 T HN 0.366 nan 8.240 nan 0.000 0.455 83 T N 4.463 119.029 114.554 0.021 0.000 2.771 83 T HA 0.460 4.810 4.350 0.000 0.000 0.291 83 T C -2.545 172.163 174.700 0.013 0.000 0.954 83 T CA -1.213 60.896 62.100 0.016 0.000 1.045 83 T CB 1.264 70.142 68.868 0.016 0.000 0.917 83 T HN 0.180 nan 8.240 nan 0.000 0.484 84 P HA 0.428 nan 4.420 nan 0.000 0.288 84 P C -0.165 177.140 177.300 0.009 0.000 1.267 84 P CA -0.789 62.315 63.100 0.007 0.000 0.815 84 P CB 0.543 32.246 31.700 0.005 0.000 0.989 85 I N 1.624 122.199 120.570 0.009 0.000 2.775 85 I HA 0.012 4.182 4.170 0.000 0.000 0.290 85 I C 0.191 176.315 176.117 0.011 0.000 1.203 85 I CA 0.319 61.625 61.300 0.011 0.000 1.433 85 I CB 0.217 38.224 38.000 0.011 0.000 1.354 85 I HN 0.022 nan 8.210 nan 0.000 0.579 86 V N 7.833 127.754 119.914 0.012 0.000 2.409 86 V HA 0.396 4.516 4.120 0.000 0.000 0.291 86 V C -0.079 176.025 176.094 0.017 0.000 1.020 86 V CA -0.580 61.729 62.300 0.014 0.000 0.848 86 V CB 1.440 33.270 31.823 0.012 0.000 0.990 86 V HN 0.436 nan 8.190 nan 0.000 0.430 87 L N 3.894 125.131 121.223 0.023 0.000 2.298 87 L HA 0.372 4.712 4.340 0.000 0.000 0.284 87 L C 1.483 178.371 176.870 0.030 0.000 1.013 87 L CA -0.220 54.635 54.840 0.026 0.000 0.824 87 L CB 1.694 43.773 42.059 0.033 0.000 1.221 87 L HN 0.613 nan 8.230 nan 0.000 0.418 88 T N 1.032 115.600 114.554 0.023 0.000 2.665 88 T HA -0.110 4.240 4.350 0.000 0.000 0.268 88 T C 0.799 175.517 174.700 0.029 0.000 1.035 88 T CA 1.872 63.985 62.100 0.022 0.000 1.151 88 T CB 0.077 68.954 68.868 0.015 0.000 0.862 88 T HN 0.816 nan 8.240 nan 0.000 0.438 89 S N -1.289 114.429 115.700 0.031 0.000 2.643 89 S HA 0.651 5.121 4.470 0.000 0.000 0.270 89 S C -0.794 173.832 174.600 0.043 0.000 1.166 89 S CA -0.779 57.446 58.200 0.041 0.000 0.815 89 S CB 1.780 64.998 63.200 0.030 0.000 1.139 89 S HN 0.706 nan 8.310 nan 0.000 0.472 90 C N -0.125 119.210 119.300 0.058 0.000 3.314 90 C HA 0.783 5.243 4.460 0.000 0.000 0.344 90 C C -1.090 173.938 174.990 0.063 0.000 1.461 90 C CA -1.169 57.882 59.018 0.055 0.000 1.249 90 C CB -0.472 27.311 27.740 0.072 0.000 1.632 90 C HN 1.046 nan 8.230 nan 0.000 0.452 91 L N 1.421 122.678 121.223 0.057 0.000 2.418 91 L HA 0.661 5.001 4.340 0.000 0.000 0.265 91 L C -0.205 176.769 176.870 0.173 0.000 1.143 91 L CA -0.324 54.569 54.840 0.090 0.000 0.809 91 L CB 1.168 43.231 42.059 0.006 0.000 1.124 91 L HN 0.621 nan 8.230 nan 0.000 0.456 92 V N 0.881 120.911 119.914 0.193 0.000 2.487 92 V HA 0.199 4.319 4.120 0.000 0.000 0.298 92 V C -0.653 175.588 176.094 0.245 0.000 1.028 92 V CA -0.620 61.767 62.300 0.145 0.000 0.860 92 V CB 1.811 33.516 31.823 -0.195 0.000 0.991 92 V HN 0.639 nan 8.190 nan 0.000 0.427 93 D N 3.018 123.573 120.400 0.258 0.000 2.380 93 D HA 0.197 4.837 4.640 0.000 0.000 0.230 93 D C 1.178 177.453 176.300 -0.042 0.000 1.154 93 D CA 0.123 54.175 54.000 0.086 0.000 0.859 93 D CB 1.814 42.791 40.800 0.296 0.000 1.045 93 D HN 0.513 nan 8.370 nan 0.000 0.495 94 T N 3.085 117.536 114.554 -0.172 0.000 2.929 94 T HA -0.096 4.254 4.350 0.000 0.000 0.271 94 T C 1.338 175.948 174.700 -0.151 0.000 1.085 94 T CA 1.112 63.115 62.100 -0.161 0.000 1.125 94 T CB 0.125 68.864 68.868 -0.216 0.000 0.874 94 T HN 0.353 nan 8.240 nan 0.000 0.494 95 K N 0.608 120.907 120.400 -0.168 0.000 2.358 95 K HA 0.166 4.486 4.320 0.000 0.000 0.197 95 K C 0.232 176.769 176.600 -0.104 0.000 1.025 95 K CA -0.114 56.089 56.287 -0.140 0.000 1.104 95 K CB 0.438 32.845 32.500 -0.155 0.000 0.855 95 K HN 0.164 nan 8.250 nan 0.000 0.531 96 N N 1.563 120.224 118.700 -0.065 0.000 2.735 96 N HA -0.192 4.548 4.740 0.000 0.000 0.248 96 N C 0.017 175.447 175.510 -0.133 0.000 1.083 96 N CA 0.696 53.719 53.050 -0.046 0.000 0.703 96 N CB -1.552 36.912 38.487 -0.037 0.000 1.005 96 N HN 0.404 nan 8.380 nan 0.000 0.550 97 N N -1.222 117.337 118.700 -0.234 0.000 2.368 97 N HA 0.060 4.800 4.740 0.000 0.000 0.176 97 N C -0.162 174.958 175.510 -0.649 0.000 1.021 97 N CA 0.939 53.625 53.050 -0.605 0.000 0.888 97 N CB 0.193 38.110 38.487 -0.950 0.000 0.995 97 N HN 0.346 nan 8.380 nan 0.000 0.437 98 W N 0.045 121.408 121.300 0.105 0.000 2.785 98 W HA 0.720 5.380 4.660 -0.000 0.000 0.333 98 W C -1.160 175.428 176.519 0.114 0.000 1.062 98 W CA -1.080 56.337 57.345 0.119 0.000 1.233 98 W CB 1.458 31.021 29.460 0.173 0.000 1.413 98 W HN -0.283 nan 8.180 nan 0.000 0.489 99 A N 4.385 127.426 122.820 0.367 0.000 2.332 99 A HA 0.856 5.176 4.320 0.000 0.000 0.300 99 A C -1.222 176.484 177.584 0.204 0.000 1.153 99 A CA -0.607 51.573 52.037 0.238 0.000 0.764 99 A CB 0.445 19.537 19.000 0.153 0.000 1.174 99 A HN 0.656 nan 8.150 nan 0.000 0.467 100 I N 3.647 124.308 120.570 0.150 0.000 2.478 100 I HA 0.318 4.488 4.170 0.000 0.000 0.287 100 I C -0.635 175.508 176.117 0.043 0.000 1.042 100 I CA -0.355 60.990 61.300 0.074 0.000 1.067 100 I CB 1.915 39.920 38.000 0.009 0.000 1.233 100 I HN 0.513 nan 8.210 nan 0.000 0.431 101 I N 5.549 126.137 120.570 0.030 0.000 2.322 101 I HA 0.306 4.476 4.170 0.000 0.000 0.292 101 I C 0.887 177.003 176.117 -0.002 0.000 1.060 101 I CA 0.177 61.488 61.300 0.018 0.000 1.309 101 I CB 1.028 39.040 38.000 0.019 0.000 1.415 101 I HN 0.679 nan 8.210 nan 0.000 0.492 102 G N 5.533 114.328 108.800 -0.009 0.000 2.642 102 G HA2 0.349 4.309 3.960 0.000 0.000 0.291 102 G HA3 0.349 4.309 3.960 0.000 0.000 0.291 102 G C 0.775 175.664 174.900 -0.019 0.000 1.345 102 G CA -0.527 44.558 45.100 -0.026 0.000 1.043 102 G HN 0.563 nan 8.290 nan 0.000 0.528 103 R N -0.314 120.170 120.500 -0.026 0.000 2.152 103 R HA -0.095 4.245 4.340 0.000 0.000 0.232 103 R C 2.163 178.457 176.300 -0.011 0.000 1.117 103 R CA 1.659 57.749 56.100 -0.018 0.000 0.981 103 R CB -0.149 30.138 30.300 -0.022 0.000 0.870 103 R HN 0.718 nan 8.270 nan 0.000 0.451 104 D N 0.822 121.215 120.400 -0.012 0.000 2.104 104 D HA -0.174 4.466 4.640 0.000 0.000 0.194 104 D C 1.696 177.997 176.300 0.002 0.000 0.994 104 D CA 1.603 55.600 54.000 -0.004 0.000 0.830 104 D CB -0.423 40.376 40.800 -0.003 0.000 0.959 104 D HN 0.157 nan 8.370 nan 0.000 0.452 105 A N 0.131 122.954 122.820 0.003 0.000 1.929 105 A HA 0.073 4.393 4.320 0.000 0.000 0.216 105 A C 2.444 180.032 177.584 0.007 0.000 1.176 105 A CA 0.869 52.911 52.037 0.008 0.000 0.628 105 A CB -0.821 18.186 19.000 0.011 0.000 0.816 105 A HN 0.267 nan 8.150 nan 0.000 0.444 106 L N -0.633 120.593 121.223 0.005 0.000 2.217 106 L HA -0.172 4.168 4.340 0.000 0.000 0.211 106 L C 2.751 179.625 176.870 0.007 0.000 1.107 106 L CA 1.395 56.239 54.840 0.007 0.000 0.783 106 L CB -0.360 41.702 42.059 0.005 0.000 0.919 106 L HN 0.603 nan 8.230 nan 0.000 0.442 107 Q N 0.198 120.001 119.800 0.004 0.000 2.096 107 Q HA -0.276 4.064 4.340 0.000 0.000 0.204 107 Q C 2.114 178.118 176.000 0.006 0.000 0.982 107 Q CA 1.757 57.563 55.803 0.004 0.000 0.850 107 Q CB -0.023 28.716 28.738 0.002 0.000 0.901 107 Q HN 0.555 nan 8.270 nan 0.000 0.422 108 Q N -0.792 119.012 119.800 0.007 0.000 2.224 108 Q HA -0.102 4.238 4.340 0.000 0.000 0.203 108 Q C 2.081 178.087 176.000 0.011 0.000 0.970 108 Q CA 1.187 56.995 55.803 0.008 0.000 0.865 108 Q CB 0.147 28.890 28.738 0.009 0.000 0.922 108 Q HN 0.511 nan 8.270 nan 0.000 0.445 109 C N 0.796 120.103 119.300 0.012 0.000 2.522 109 C HA 0.021 4.481 4.460 0.000 0.000 0.271 109 C C 0.436 175.434 174.990 0.013 0.000 1.425 109 C CA -0.256 58.771 59.018 0.015 0.000 1.751 109 C CB -0.974 26.777 27.740 0.017 0.000 1.775 109 C HN 0.526 nan 8.230 nan 0.000 0.557 110 Q N -0.150 119.657 119.800 0.010 0.000 2.451 110 Q HA -0.162 4.178 4.340 0.000 0.000 0.305 110 Q C 0.496 176.503 176.000 0.011 0.000 1.345 110 Q CA 0.504 56.312 55.803 0.009 0.000 0.854 110 Q CB -1.834 26.908 28.738 0.007 0.000 1.162 110 Q HN 0.825 nan 8.270 nan 0.000 0.440 111 G N 0.187 108.995 108.800 0.014 0.000 2.527 111 G HA2 0.492 4.452 3.960 0.000 0.000 0.248 111 G HA3 0.492 4.452 3.960 0.000 0.000 0.248 111 G C 0.255 175.168 174.900 0.020 0.000 1.231 111 G CA 0.155 45.266 45.100 0.018 0.000 0.838 111 G HN 0.523 nan 8.290 nan 0.000 0.570 112 V N -0.046 119.885 119.914 0.029 0.000 3.007 112 V HA 0.728 4.848 4.120 0.000 0.000 0.311 112 V C -0.137 175.993 176.094 0.061 0.000 1.120 112 V CA -1.314 61.011 62.300 0.042 0.000 0.980 112 V CB 1.590 33.439 31.823 0.044 0.000 1.033 112 V HN 0.633 nan 8.190 nan 0.000 0.429 113 L N 2.613 123.875 121.223 0.064 0.000 2.399 113 L HA 0.576 4.916 4.340 0.000 0.000 0.266 113 L C -0.957 176.006 176.870 0.154 0.000 1.114 113 L CA -0.554 54.332 54.840 0.078 0.000 0.804 113 L CB 1.423 43.502 42.059 0.035 0.000 1.146 113 L HN 0.860 nan 8.230 nan 0.000 0.451 114 Y N 2.537 122.836 120.300 -0.001 0.000 2.386 114 Y HA 0.539 5.089 4.550 0.000 0.000 0.334 114 Y C -1.558 174.341 175.900 -0.001 0.000 1.002 114 Y CA -1.156 56.944 58.100 -0.001 0.000 1.068 114 Y CB 1.337 39.797 38.460 0.000 0.000 1.203 114 Y HN 0.273 nan 8.280 nan 0.000 0.443 115 L N 8.729 129.536 121.223 -0.692 0.000 2.318 115 L HA 0.568 4.908 4.340 0.000 0.000 0.277 115 L C -1.914 174.500 176.870 -0.761 0.000 1.008 115 L CA -1.633 52.866 54.840 -0.568 0.000 0.846 115 L CB 0.668 42.574 42.059 -0.254 0.000 1.220 115 L HN 0.651 nan 8.230 nan 0.000 0.423 116 P HA 0.000 nan 4.420 nan 0.000 0.216 116 P CA 0.000 62.852 63.100 -0.414 0.000 0.800 116 P CB 0.000 31.600 31.700 -0.167 0.000 0.726