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_C 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 0.000 177.205 177.300 -0.158 0.000 1.155 1 P CA 0.000 62.943 63.100 -0.261 0.000 0.800 1 P CB 0.000 31.571 31.700 -0.215 0.000 0.726 2 V N 1.587 121.449 119.914 -0.087 0.000 2.407 2 V HA 0.363 4.484 4.120 0.000 0.000 0.278 2 V C 0.254 176.340 176.094 -0.013 0.000 1.037 2 V CA -0.288 61.988 62.300 -0.039 0.000 0.900 2 V CB 1.020 32.829 31.823 -0.023 0.000 0.983 2 V HN 0.372 nan 8.190 nan 0.000 0.459 3 I N 7.391 127.965 120.570 0.006 0.000 2.359 3 I HA 0.414 4.585 4.170 0.000 0.000 0.284 3 I C -2.068 174.065 176.117 0.027 0.000 1.018 3 I CA -1.513 59.800 61.300 0.020 0.000 1.173 3 I CB 1.307 39.326 38.000 0.031 0.000 1.326 3 I HN 0.495 nan 8.210 nan 0.000 0.462 4 P HA 0.297 nan 4.420 nan 0.000 0.269 4 P C -0.953 176.361 177.300 0.022 0.000 1.209 4 P CA -0.300 62.814 63.100 0.024 0.000 0.776 4 P CB 0.547 32.258 31.700 0.020 0.000 0.876 5 L N 2.562 123.796 121.223 0.018 0.000 2.287 5 L HA 0.504 4.844 4.340 0.000 0.000 0.287 5 L C -0.045 176.832 176.870 0.012 0.000 1.022 5 L CA -0.306 54.544 54.840 0.016 0.000 0.814 5 L CB 1.296 43.361 42.059 0.011 0.000 1.217 5 L HN 0.333 nan 8.230 nan 0.000 0.420 6 D N 4.813 125.222 120.400 0.016 0.000 2.855 6 D HA 0.284 4.924 4.640 0.000 0.000 0.241 6 D C -1.957 174.353 176.300 0.018 0.000 1.277 6 D CA -1.620 52.389 54.000 0.015 0.000 0.918 6 D CB 2.791 43.601 40.800 0.017 0.000 1.462 6 D HN 0.121 nan 8.370 nan 0.000 0.559 7 P HA -0.053 nan 4.420 nan 0.000 0.218 7 P C 0.955 178.269 177.300 0.023 0.000 1.148 7 P CA 0.674 63.785 63.100 0.018 0.000 0.822 7 P CB 0.252 31.960 31.700 0.013 0.000 0.784 8 A N -0.416 122.417 122.820 0.021 0.000 2.119 8 A HA 0.017 4.337 4.320 0.000 0.000 0.216 8 A C 1.185 178.786 177.584 0.028 0.000 1.152 8 A CA 0.411 52.462 52.037 0.024 0.000 0.708 8 A CB -0.322 18.690 19.000 0.019 0.000 0.805 8 A HN 0.142 nan 8.150 nan 0.000 0.460 9 R N 0.217 120.734 120.500 0.029 0.000 2.507 9 R HA 0.328 4.668 4.340 0.000 0.000 0.298 9 R C -1.110 175.213 176.300 0.038 0.000 1.087 9 R CA -0.569 55.550 56.100 0.032 0.000 0.917 9 R CB 1.468 31.785 30.300 0.028 0.000 1.173 9 R HN 0.238 nan 8.270 nan 0.000 0.472 10 R N 2.958 123.486 120.500 0.047 0.000 2.570 10 R HA 0.075 4.415 4.340 0.000 0.000 0.277 10 R C -1.893 174.440 176.300 0.054 0.000 1.039 10 R CA -0.950 55.183 56.100 0.056 0.000 1.065 10 R CB 0.306 30.651 30.300 0.075 0.000 0.964 10 R HN 0.304 nan 8.270 nan 0.000 0.428 11 P HA 0.065 nan 4.420 nan 0.000 0.286 11 P C -0.870 176.468 177.300 0.063 0.000 1.321 11 P CA -0.190 62.942 63.100 0.053 0.000 0.790 11 P CB 0.941 32.669 31.700 0.047 0.000 0.897 12 V N 2.303 122.256 119.914 0.065 0.000 3.001 12 V HA 0.728 4.848 4.120 0.000 0.000 0.314 12 V C -0.581 175.557 176.094 0.074 0.000 1.099 12 V CA -1.188 61.154 62.300 0.071 0.000 0.989 12 V CB 2.636 34.500 31.823 0.068 0.000 1.040 12 V HN 0.468 nan 8.190 nan 0.000 0.434 13 I N 0.979 121.595 120.570 0.075 0.000 2.894 13 I HA 0.572 4.742 4.170 0.000 0.000 0.302 13 I C -0.952 175.198 176.117 0.055 0.000 1.188 13 I CA -0.873 60.475 61.300 0.080 0.000 1.014 13 I CB 2.362 40.426 38.000 0.107 0.000 1.242 13 I HN 0.667 nan 8.210 nan 0.000 0.430 14 K N 4.870 125.297 120.400 0.044 0.000 2.249 14 K HA 0.710 5.031 4.320 0.000 0.000 0.280 14 K C -0.842 175.754 176.600 -0.007 0.000 1.033 14 K CA -0.359 55.940 56.287 0.020 0.000 0.946 14 K CB 1.443 33.953 32.500 0.017 0.000 1.005 14 K HN 0.626 nan 8.250 nan 0.000 0.469 15 A N 2.468 125.279 122.820 -0.014 0.000 2.488 15 A HA 0.316 4.636 4.320 0.000 0.000 0.298 15 A C -1.090 176.472 177.584 -0.036 0.000 1.044 15 A CA -0.681 51.333 52.037 -0.039 0.000 0.693 15 A CB 1.403 20.388 19.000 -0.025 0.000 1.272 15 A HN 0.640 nan 8.150 nan 0.000 0.402 16 Q N 1.667 121.436 119.800 -0.052 0.000 2.296 16 Q HA 0.555 4.895 4.340 0.000 0.000 0.257 16 Q C -1.409 174.564 176.000 -0.046 0.000 0.942 16 Q CA -0.298 55.478 55.803 -0.045 0.000 0.939 16 Q CB 1.123 29.832 28.738 -0.049 0.000 1.198 16 Q HN 0.556 nan 8.270 nan 0.000 0.429 17 V N 4.247 124.133 119.914 -0.046 0.000 2.398 17 V HA 0.189 4.310 4.120 0.000 0.000 0.286 17 V C -0.499 175.545 176.094 -0.083 0.000 1.026 17 V CA -0.646 61.620 62.300 -0.058 0.000 0.868 17 V CB 1.670 33.460 31.823 -0.055 0.000 0.982 17 V HN 0.716 nan 8.190 nan 0.000 0.443 18 D N 3.266 123.619 120.400 -0.079 0.000 2.460 18 D HA 0.202 4.842 4.640 0.000 0.000 0.232 18 D C 1.196 177.423 176.300 -0.122 0.000 1.079 18 D CA -0.169 53.779 54.000 -0.087 0.000 0.864 18 D CB 1.803 42.574 40.800 -0.049 0.000 1.048 18 D HN 0.663 nan 8.370 nan 0.000 0.523 19 T N 0.401 114.815 114.554 -0.234 0.000 3.160 19 T HA -0.071 4.280 4.350 0.000 0.000 0.257 19 T C 0.883 175.515 174.700 -0.113 0.000 1.147 19 T CA 0.277 62.193 62.100 -0.307 0.000 1.064 19 T CB -0.245 68.071 68.868 -0.921 0.000 0.949 19 T HN 0.591 nan 8.240 nan 0.000 0.526 20 Q N 0.060 119.809 119.800 -0.084 0.000 2.452 20 Q HA -0.215 4.126 4.340 0.000 0.000 0.248 20 Q C 0.935 176.922 176.000 -0.022 0.000 0.874 20 Q CA 1.381 57.165 55.803 -0.032 0.000 1.208 20 Q CB -2.794 25.944 28.738 0.001 0.000 1.569 20 Q HN 0.888 nan 8.270 nan 0.000 0.579 21 T N -4.052 110.473 114.554 -0.048 0.000 3.004 21 T HA 0.353 4.703 4.350 0.000 0.000 0.266 21 T C 0.351 175.018 174.700 -0.056 0.000 0.986 21 T CA 0.554 62.647 62.100 -0.012 0.000 0.902 21 T CB 0.808 69.729 68.868 0.089 0.000 1.118 21 T HN 0.454 nan 8.240 nan 0.000 0.522 22 S N -0.248 115.391 115.700 -0.103 0.000 2.611 22 S HA 0.420 4.890 4.470 0.000 0.000 0.268 22 S C -1.131 173.405 174.600 -0.107 0.000 1.156 22 S CA -1.044 57.071 58.200 -0.141 0.000 0.817 22 S CB 0.244 63.379 63.200 -0.109 0.000 1.122 22 S HN 0.423 nan 8.310 nan 0.000 0.466 23 H N 1.676 120.716 119.070 -0.050 0.000 3.115 23 H HA 0.186 4.742 4.556 0.000 0.000 0.324 23 H C -2.292 172.994 175.328 -0.069 0.000 1.007 23 H CA -0.002 56.016 56.048 -0.050 0.000 1.385 23 H CB -0.072 29.667 29.762 -0.038 0.000 1.351 23 H HN 0.358 nan 8.280 nan 0.000 0.592 24 P HA 0.027 nan 4.420 nan 0.000 0.268 24 P C -0.719 176.574 177.300 -0.011 0.000 1.205 24 P CA 0.180 63.276 63.100 -0.007 0.000 0.771 24 P CB 0.712 32.403 31.700 -0.015 0.000 0.858 25 K N 1.532 121.912 120.400 -0.034 0.000 2.371 25 K HA 0.433 4.753 4.320 0.000 0.000 0.251 25 K C -0.457 176.125 176.600 -0.030 0.000 0.934 25 K CA -0.543 55.727 56.287 -0.028 0.000 0.798 25 K CB 1.507 33.992 32.500 -0.025 0.000 1.204 25 K HN 0.212 nan 8.250 nan 0.000 0.427 26 T N 3.397 117.936 114.554 -0.024 0.000 2.749 26 T HA 0.482 4.832 4.350 0.000 0.000 0.295 26 T C 0.608 175.302 174.700 -0.010 0.000 0.936 26 T CA -0.473 61.615 62.100 -0.020 0.000 1.060 26 T CB -0.062 68.794 68.868 -0.020 0.000 0.904 26 T HN 0.507 nan 8.240 nan 0.000 0.500 27 I N -0.031 120.537 120.570 -0.003 0.000 3.108 27 I HA 0.691 4.861 4.170 0.000 0.000 0.312 27 I C -0.240 175.889 176.117 0.020 0.000 1.095 27 I CA -1.370 59.935 61.300 0.010 0.000 1.000 27 I CB 2.108 40.118 38.000 0.018 0.000 1.229 27 I HN 0.405 nan 8.210 nan 0.000 0.454 28 E N 2.213 122.430 120.200 0.028 0.000 2.229 28 E HA 0.640 4.990 4.350 0.000 0.000 0.283 28 E C -1.098 175.539 176.600 0.062 0.000 1.030 28 E CA -0.638 55.786 56.400 0.041 0.000 0.836 28 E CB 1.351 31.073 29.700 0.038 0.000 1.068 28 E HN 0.821 nan 8.360 nan 0.000 0.401 29 A N 4.525 127.387 122.820 0.069 0.000 2.386 29 A HA 0.429 4.749 4.320 0.000 0.000 0.311 29 A C -1.216 176.426 177.584 0.096 0.000 1.068 29 A CA -0.823 51.268 52.037 0.091 0.000 0.743 29 A CB 1.189 20.236 19.000 0.078 0.000 1.258 29 A HN 0.657 nan 8.150 nan 0.000 0.429 30 L N 2.477 123.772 121.223 0.120 0.000 2.367 30 L HA 0.409 4.749 4.340 0.000 0.000 0.275 30 L C -0.528 176.391 176.870 0.081 0.000 1.129 30 L CA 0.139 55.042 54.840 0.106 0.000 0.839 30 L CB 0.177 42.315 42.059 0.131 0.000 1.133 30 L HN 0.567 nan 8.230 nan 0.000 0.453 31 L N 5.367 126.632 121.223 0.070 0.000 2.325 31 L HA 0.277 4.618 4.340 0.000 0.000 0.284 31 L C -0.406 176.490 176.870 0.042 0.000 1.089 31 L CA 0.000 54.876 54.840 0.059 0.000 0.836 31 L CB 0.247 42.345 42.059 0.065 0.000 1.184 31 L HN 0.606 nan 8.230 nan 0.000 0.444 32 D N 1.733 122.151 120.400 0.030 0.000 2.420 32 D HA 0.110 4.750 4.640 0.000 0.000 0.255 32 D C 1.131 177.431 176.300 -0.001 0.000 1.185 32 D CA -0.410 53.595 54.000 0.008 0.000 0.904 32 D CB 1.428 42.223 40.800 -0.008 0.000 1.102 32 D HN 0.548 nan 8.370 nan 0.000 0.534 33 T N -0.266 114.289 114.554 0.001 0.000 3.035 33 T HA 0.044 4.394 4.350 0.000 0.000 0.268 33 T C 1.664 176.355 174.700 -0.015 0.000 1.109 33 T CA 0.663 62.763 62.100 -0.000 0.000 1.119 33 T CB 0.092 68.963 68.868 0.005 0.000 0.900 33 T HN 0.295 nan 8.240 nan 0.000 0.503 34 G N 0.591 109.375 108.800 -0.026 0.000 2.985 34 G HA2 0.505 4.465 3.960 0.000 0.000 0.209 34 G HA3 0.505 4.465 3.960 0.000 0.000 0.209 34 G C 0.438 175.303 174.900 -0.058 0.000 1.165 34 G CA -0.001 45.074 45.100 -0.041 0.000 0.776 34 G HN 0.796 nan 8.290 nan 0.000 0.541 35 A N 0.462 123.250 122.820 -0.054 0.000 2.260 35 A HA 0.514 4.834 4.320 0.000 0.000 0.308 35 A C 0.703 178.255 177.584 -0.053 0.000 1.254 35 A CA -0.458 51.536 52.037 -0.070 0.000 0.874 35 A CB 0.761 19.720 19.000 -0.068 0.000 1.153 35 A HN 0.045 nan 8.150 nan 0.000 0.527 36 D N 1.190 121.551 120.400 -0.066 0.000 2.178 36 D HA -0.030 4.610 4.640 0.000 0.000 0.201 36 D C 0.471 176.750 176.300 -0.036 0.000 0.980 36 D CA 1.728 55.699 54.000 -0.049 0.000 0.842 36 D CB 0.037 40.801 40.800 -0.059 0.000 0.948 36 D HN 0.632 nan 8.370 nan 0.000 0.472 37 M N -0.841 118.733 119.600 -0.044 0.000 2.484 37 M HA 0.216 4.696 4.480 0.000 0.000 0.289 37 M C -1.071 175.223 176.300 -0.010 0.000 1.206 37 M CA -0.391 54.895 55.300 -0.024 0.000 0.892 37 M CB 2.449 35.028 32.600 -0.035 0.000 1.712 37 M HN -0.351 nan 8.290 nan 0.000 0.462 38 T N 2.274 116.842 114.554 0.024 0.000 2.913 38 T HA 0.456 4.806 4.350 0.000 0.000 0.297 38 T C -0.854 173.899 174.700 0.088 0.000 1.029 38 T CA -0.341 61.791 62.100 0.052 0.000 1.104 38 T CB 0.563 69.466 68.868 0.060 0.000 0.964 38 T HN 0.432 nan 8.240 nan 0.000 0.532 39 V N 4.788 124.778 119.914 0.126 0.000 2.448 39 V HA 0.463 4.583 4.120 0.000 0.000 0.295 39 V C -0.396 175.841 176.094 0.238 0.000 1.025 39 V CA -0.902 61.527 62.300 0.215 0.000 0.859 39 V CB 1.525 33.521 31.823 0.289 0.000 0.988 39 V HN 0.672 nan 8.190 nan 0.000 0.431 40 I N 6.059 126.792 120.570 0.272 0.000 2.474 40 I HA 0.504 4.674 4.170 0.000 0.000 0.294 40 I C -2.527 173.770 176.117 0.300 0.000 1.005 40 I CA -2.913 58.555 61.300 0.279 0.000 1.113 40 I CB 1.935 40.147 38.000 0.353 0.000 1.289 40 I HN 0.354 nan 8.210 nan 0.000 0.436 41 P HA 0.240 nan 4.420 nan 0.000 0.271 41 P C 1.201 178.648 177.300 0.245 0.000 1.218 41 P CA -0.119 63.085 63.100 0.174 0.000 0.780 41 P CB 1.331 33.090 31.700 0.098 0.000 0.901 42 I N 2.318 122.981 120.570 0.155 0.000 2.454 42 I HA -0.259 3.911 4.170 0.000 0.000 0.254 42 I C 1.893 178.160 176.117 0.249 0.000 1.156 42 I CA 1.369 62.784 61.300 0.191 0.000 1.433 42 I CB -0.227 37.784 38.000 0.020 0.000 1.082 42 I HN 0.353 nan 8.210 nan 0.000 0.432 43 A N 0.880 123.779 122.820 0.132 0.000 2.042 43 A HA -0.209 4.111 4.320 0.000 0.000 0.222 43 A C 2.125 179.760 177.584 0.084 0.000 1.167 43 A CA 1.600 53.688 52.037 0.084 0.000 0.649 43 A CB -0.925 18.096 19.000 0.035 0.000 0.809 43 A HN 0.574 nan 8.150 nan 0.000 0.457 44 L N -1.957 119.319 121.223 0.088 0.000 2.552 44 L HA 0.082 4.422 4.340 0.000 0.000 0.227 44 L C -0.016 176.715 176.870 -0.231 0.000 1.146 44 L CA -0.062 54.722 54.840 -0.093 0.000 0.858 44 L CB -0.378 41.562 42.059 -0.198 0.000 0.969 44 L HN 0.269 nan 8.230 nan 0.000 0.451 45 F N -0.066 119.885 119.950 0.003 0.000 2.425 45 F HA 0.237 4.764 4.527 0.000 0.000 0.331 45 F C 1.148 176.942 175.800 -0.010 0.000 1.085 45 F CA -1.034 56.965 58.000 -0.001 0.000 1.028 45 F CB 1.155 40.157 39.000 0.003 0.000 1.177 45 F HN -0.160 nan 8.300 nan 0.000 0.487 46 S N 0.296 116.087 115.700 0.151 0.000 2.572 46 S HA 0.041 4.511 4.470 0.000 0.000 0.279 46 S C 0.981 175.633 174.600 0.088 0.000 1.341 46 S CA -0.471 57.776 58.200 0.077 0.000 1.043 46 S CB 1.026 64.246 63.200 0.033 0.000 0.887 46 S HN 0.636 nan 8.310 nan 0.000 0.516 47 S N 2.596 118.324 115.700 0.048 0.000 2.420 47 S HA -0.146 4.324 4.470 0.000 0.000 0.237 47 S C 1.316 175.930 174.600 0.023 0.000 1.023 47 S CA 1.798 60.018 58.200 0.033 0.000 0.991 47 S CB -0.598 62.611 63.200 0.016 0.000 0.792 47 S HN 0.839 nan 8.310 nan 0.000 0.488 48 N N 0.606 119.321 118.700 0.025 0.000 2.405 48 N HA 0.040 4.780 4.740 0.000 0.000 0.175 48 N C 0.108 175.628 175.510 0.018 0.000 1.051 48 N CA 0.387 53.446 53.050 0.015 0.000 0.899 48 N CB -0.297 38.196 38.487 0.011 0.000 1.000 48 N HN 0.343 nan 8.380 nan 0.000 0.451 49 T N 1.438 116.015 114.554 0.039 0.000 2.933 49 T HA 0.115 4.465 4.350 0.000 0.000 0.306 49 T C -2.463 172.238 174.700 0.003 0.000 1.045 49 T CA -1.042 61.083 62.100 0.042 0.000 1.143 49 T CB 0.302 69.234 68.868 0.107 0.000 1.003 49 T HN 0.015 nan 8.240 nan 0.000 0.540 50 P HA 0.376 nan 4.420 nan 0.000 0.271 50 P C -0.709 176.568 177.300 -0.038 0.000 1.226 50 P CA -0.197 62.894 63.100 -0.015 0.000 0.765 50 P CB 0.337 32.036 31.700 -0.002 0.000 0.835 51 L N 2.871 124.056 121.223 -0.063 0.000 2.354 51 L HA 0.511 4.852 4.340 0.000 0.000 0.264 51 L C 0.276 177.113 176.870 -0.055 0.000 1.008 51 L CA -1.086 53.698 54.840 -0.094 0.000 0.819 51 L CB 2.230 44.186 42.059 -0.173 0.000 1.339 51 L HN 0.162 nan 8.230 nan 0.000 0.420 52 K N 1.599 121.974 120.400 -0.042 0.000 2.183 52 K HA 0.320 4.640 4.320 0.000 0.000 0.274 52 K C -0.728 175.867 176.600 -0.007 0.000 1.009 52 K CA -0.876 55.401 56.287 -0.017 0.000 0.888 52 K CB 0.784 33.279 32.500 -0.007 0.000 1.078 52 K HN 0.362 nan 8.250 nan 0.000 0.459 53 N N 1.543 120.243 118.700 0.000 0.000 2.412 53 N HA 0.017 4.757 4.740 0.000 0.000 0.254 53 N C -0.250 175.275 175.510 0.024 0.000 1.232 53 N CA 0.507 53.566 53.050 0.015 0.000 0.880 53 N CB 0.886 39.381 38.487 0.014 0.000 1.076 53 N HN 0.526 nan 8.380 nan 0.000 0.458 54 T N -0.646 113.935 114.554 0.045 0.000 2.853 54 T HA 0.397 4.747 4.350 0.000 0.000 0.311 54 T C -1.174 173.559 174.700 0.056 0.000 1.307 54 T CA -0.604 61.521 62.100 0.043 0.000 1.019 54 T CB 1.073 69.966 68.868 0.041 0.000 1.264 54 T HN 0.294 nan 8.240 nan 0.000 0.497 55 S N 1.624 117.341 115.700 0.029 0.000 2.475 55 S HA 0.785 5.256 4.470 0.000 0.000 0.298 55 S C -0.949 173.643 174.600 -0.014 0.000 1.119 55 S CA -0.463 57.750 58.200 0.022 0.000 1.085 55 S CB 0.771 63.975 63.200 0.006 0.000 1.028 55 S HN 0.566 nan 8.310 nan 0.000 0.489 56 V N 5.401 125.299 119.914 -0.027 0.000 2.680 56 V HA 0.522 4.643 4.120 0.000 0.000 0.309 56 V C -1.067 174.954 176.094 -0.122 0.000 1.052 56 V CA -0.822 61.401 62.300 -0.129 0.000 0.908 56 V CB 1.777 33.414 31.823 -0.310 0.000 1.001 56 V HN 0.778 nan 8.190 nan 0.000 0.431 57 L N 4.556 125.695 121.223 -0.140 0.000 2.257 57 L HA 0.839 5.179 4.340 0.000 0.000 0.290 57 L C 0.664 177.445 176.870 -0.149 0.000 1.044 57 L CA 0.542 55.313 54.840 -0.116 0.000 0.810 57 L CB 0.965 42.970 42.059 -0.090 0.000 1.193 57 L HN 0.771 nan 8.230 nan 0.000 0.425 58 G N 0.677 109.399 108.800 -0.130 0.000 2.798 58 G HA2 0.590 4.551 3.960 0.000 0.000 0.286 58 G HA3 0.590 4.551 3.960 0.000 0.000 0.286 58 G C 0.503 175.346 174.900 -0.094 0.000 1.389 58 G CA -0.096 44.922 45.100 -0.138 0.000 0.894 58 G HN 0.599 nan 8.290 nan 0.000 0.488 59 A N -0.679 122.088 122.820 -0.089 0.000 1.917 59 A HA 0.079 4.399 4.320 0.000 0.000 0.219 59 A C 2.363 179.924 177.584 -0.038 0.000 1.182 59 A CA 2.543 54.545 52.037 -0.059 0.000 0.633 59 A CB -0.923 18.045 19.000 -0.053 0.000 0.819 59 A HN 1.472 nan 8.150 nan 0.000 0.448 60 G N -1.751 107.029 108.800 -0.033 0.000 2.956 60 G HA2 0.442 4.402 3.960 0.000 0.000 0.207 60 G HA3 0.442 4.402 3.960 0.000 0.000 0.207 60 G C 0.951 175.831 174.900 -0.034 0.000 1.162 60 G CA 0.698 45.785 45.100 -0.021 0.000 0.796 60 G HN 1.675 nan 8.290 nan 0.000 0.527 61 G N -0.712 108.062 108.800 -0.044 0.000 2.512 61 G HA2 -0.083 3.877 3.960 0.000 0.000 0.210 61 G HA3 -0.083 3.877 3.960 0.000 0.000 0.210 61 G C -0.430 174.436 174.900 -0.057 0.000 1.295 61 G CA -0.127 44.946 45.100 -0.045 0.000 0.934 61 G HN 0.638 nan 8.290 nan 0.000 0.554 62 Q N -0.227 119.545 119.800 -0.047 0.000 2.293 62 Q HA 0.643 4.983 4.340 0.000 0.000 0.251 62 Q C 0.143 176.115 176.000 -0.046 0.000 0.930 62 Q CA 0.644 56.419 55.803 -0.045 0.000 0.893 62 Q CB 1.307 30.026 28.738 -0.031 0.000 1.215 62 Q HN 1.046 nan 8.270 nan 0.000 0.425 63 T N 2.486 117.021 114.554 -0.032 0.000 2.916 63 T HA 0.351 4.701 4.350 0.000 0.000 0.298 63 T C -0.274 174.462 174.700 0.060 0.000 1.031 63 T CA -0.472 61.618 62.100 -0.016 0.000 0.993 63 T CB 1.549 70.347 68.868 -0.117 0.000 1.045 63 T HN 0.674 nan 8.240 nan 0.000 0.454 64 Q N 1.571 121.414 119.800 0.072 0.000 2.317 64 Q HA 0.312 4.652 4.340 0.000 0.000 0.220 64 Q C 0.686 176.754 176.000 0.114 0.000 0.873 64 Q CA 0.438 56.289 55.803 0.081 0.000 0.936 64 Q CB 0.741 29.509 28.738 0.050 0.000 1.105 64 Q HN 0.637 nan 8.270 nan 0.000 0.520 65 D N -2.031 118.469 120.400 0.167 0.000 2.473 65 D HA 0.073 4.713 4.640 0.000 0.000 0.230 65 D C 1.110 177.509 176.300 0.165 0.000 1.097 65 D CA 0.254 54.347 54.000 0.154 0.000 0.861 65 D CB 0.216 41.100 40.800 0.140 0.000 1.114 65 D HN 0.344 nan 8.370 nan 0.000 0.500 66 H N -0.700 118.386 119.070 0.027 0.000 2.389 66 H HA 0.022 4.578 4.556 0.000 0.000 0.299 66 H C 0.107 175.211 175.328 -0.373 0.000 1.081 66 H CA 0.688 56.647 56.048 -0.147 0.000 1.345 66 H CB 0.402 30.107 29.762 -0.096 0.000 1.393 66 H HN 0.053 nan 8.280 nan 0.000 0.520 67 F N 0.592 120.626 119.950 0.140 0.000 2.508 67 F HA 0.369 4.896 4.527 0.000 0.000 0.325 67 F C 0.182 175.992 175.800 0.017 0.000 1.090 67 F CA -1.020 57.021 58.000 0.069 0.000 0.945 67 F CB 1.619 40.655 39.000 0.060 0.000 1.156 67 F HN -0.268 nan 8.300 nan 0.000 0.463 68 K N 1.854 122.330 120.400 0.127 0.000 2.350 68 K HA 0.608 4.928 4.320 0.000 0.000 0.241 68 K C -1.511 175.107 176.600 0.030 0.000 0.994 68 K CA -1.054 55.254 56.287 0.034 0.000 0.839 68 K CB 2.652 35.112 32.500 -0.067 0.000 1.244 68 K HN 0.401 nan 8.250 nan 0.000 0.443 69 L N 1.329 122.552 121.223 -0.000 0.000 2.309 69 L HA 0.306 4.647 4.340 0.000 0.000 0.282 69 L C 0.345 177.187 176.870 -0.046 0.000 1.036 69 L CA 0.065 54.905 54.840 -0.001 0.000 0.806 69 L CB 1.330 43.395 42.059 0.011 0.000 1.220 69 L HN 0.817 nan 8.230 nan 0.000 0.429 70 T N 0.427 114.964 114.554 -0.028 0.000 2.795 70 T HA 0.124 4.475 4.350 0.000 0.000 0.314 70 T C 0.949 175.656 174.700 0.013 0.000 1.069 70 T CA 0.000 62.091 62.100 -0.015 0.000 1.071 70 T CB 0.373 69.311 68.868 0.116 0.000 0.988 70 T HN 0.613 nan 8.240 nan 0.000 0.543 71 S N 0.498 116.216 115.700 0.030 0.000 2.497 71 S HA 0.298 4.768 4.470 0.000 0.000 0.221 71 S C 0.509 175.140 174.600 0.052 0.000 1.037 71 S CA -0.283 57.937 58.200 0.033 0.000 0.920 71 S CB -0.168 63.046 63.200 0.023 0.000 0.800 71 S HN 0.544 nan 8.310 nan 0.000 0.505 72 L N 1.617 122.891 121.223 0.084 0.000 2.330 72 L HA 0.511 4.852 4.340 0.000 0.000 0.271 72 L C -2.726 174.196 176.870 0.086 0.000 1.013 72 L CA -2.703 52.184 54.840 0.078 0.000 0.816 72 L CB 1.056 43.165 42.059 0.083 0.000 1.287 72 L HN -0.177 nan 8.230 nan 0.000 0.435 73 P HA 0.028 nan 4.420 nan 0.000 0.268 73 P C -1.040 176.297 177.300 0.061 0.000 1.208 73 P CA -0.071 63.062 63.100 0.055 0.000 0.777 73 P CB 0.654 32.375 31.700 0.035 0.000 0.875 74 V N 3.746 123.695 119.914 0.059 0.000 2.459 74 V HA 0.299 4.419 4.120 0.000 0.000 0.295 74 V C 0.028 176.132 176.094 0.017 0.000 1.029 74 V CA -0.512 61.813 62.300 0.041 0.000 0.874 74 V CB 1.380 33.246 31.823 0.072 0.000 0.985 74 V HN 0.290 nan 8.190 nan 0.000 0.438 75 L N 6.068 127.288 121.223 -0.005 0.000 2.309 75 L HA 0.627 4.967 4.340 0.000 0.000 0.282 75 L C -0.372 176.484 176.870 -0.023 0.000 1.036 75 L CA 0.100 54.933 54.840 -0.012 0.000 0.806 75 L CB 1.363 43.412 42.059 -0.017 0.000 1.220 75 L HN 0.432 nan 8.230 nan 0.000 0.429 76 I N 2.822 123.377 120.570 -0.025 0.000 2.512 76 I HA 0.443 4.614 4.170 0.000 0.000 0.287 76 I C -0.482 175.600 176.117 -0.058 0.000 1.069 76 I CA -0.623 60.655 61.300 -0.036 0.000 1.056 76 I CB 1.915 39.901 38.000 -0.022 0.000 1.229 76 I HN 0.522 nan 8.210 nan 0.000 0.429 77 R N 6.063 126.519 120.500 -0.074 0.000 2.387 77 R HA 0.698 5.039 4.340 0.000 0.000 0.314 77 R C -0.947 175.257 176.300 -0.159 0.000 0.958 77 R CA -0.701 55.335 56.100 -0.108 0.000 0.846 77 R CB 1.954 32.203 30.300 -0.086 0.000 1.147 77 R HN 0.492 nan 8.270 nan 0.000 0.447 78 L N 4.034 125.096 121.223 -0.269 0.000 2.387 78 L HA 0.389 4.729 4.340 0.000 0.000 0.266 78 L C -1.415 175.182 176.870 -0.456 0.000 1.059 78 L CA -2.199 52.383 54.840 -0.429 0.000 0.801 78 L CB 1.141 42.751 42.059 -0.749 0.000 1.223 78 L HN 0.367 nan 8.230 nan 0.000 0.456 79 P HA -0.166 nan 4.420 nan 0.000 0.215 79 P C 0.826 178.055 177.300 -0.119 0.000 1.153 79 P CA 1.483 64.487 63.100 -0.160 0.000 0.853 79 P CB 0.053 31.761 31.700 0.013 0.000 0.788 80 F N -3.061 116.891 119.950 0.004 0.000 2.660 80 F HA 0.394 4.922 4.527 0.000 0.000 0.302 80 F C 0.633 176.435 175.800 0.002 0.000 1.103 80 F CA -0.601 57.401 58.000 0.003 0.000 1.340 80 F CB -0.120 38.882 39.000 0.003 0.000 1.048 80 F HN -0.372 nan 8.300 nan 0.000 0.551 81 R N 0.723 121.114 120.500 -0.181 0.000 2.575 81 R HA 0.279 4.620 4.340 0.000 0.000 0.293 81 R C 0.516 176.766 176.300 -0.083 0.000 0.983 81 R CA 0.324 56.363 56.100 -0.102 0.000 0.887 81 R CB 2.078 32.248 30.300 -0.216 0.000 1.184 81 R HN 0.247 nan 8.270 nan 0.000 0.445 82 T N -1.906 112.631 114.554 -0.029 0.000 2.939 82 T HA -0.002 4.348 4.350 0.000 0.000 0.254 82 T C 0.983 175.665 174.700 -0.029 0.000 1.041 82 T CA 0.584 62.668 62.100 -0.026 0.000 1.142 82 T CB 0.000 68.865 68.868 -0.006 0.000 0.874 82 T HN 0.379 nan 8.240 nan 0.000 0.452 83 T N 5.033 119.575 114.554 -0.021 0.000 2.901 83 T HA 0.346 4.696 4.350 0.000 0.000 0.301 83 T C -2.358 172.323 174.700 -0.032 0.000 1.012 83 T CA -0.946 61.143 62.100 -0.018 0.000 1.135 83 T CB 0.824 69.689 68.868 -0.005 0.000 0.936 83 T HN 0.272 nan 8.240 nan 0.000 0.539 84 P HA 0.342 nan 4.420 nan 0.000 0.278 84 P C -0.294 176.993 177.300 -0.022 0.000 1.238 84 P CA -0.596 62.484 63.100 -0.033 0.000 0.794 84 P CB 0.614 32.299 31.700 -0.025 0.000 0.955 85 I N 1.686 122.241 120.570 -0.025 0.000 2.588 85 I HA 0.058 4.229 4.170 0.000 0.000 0.283 85 I C 0.277 176.392 176.117 -0.003 0.000 1.119 85 I CA -0.123 61.172 61.300 -0.009 0.000 1.419 85 I CB 0.542 38.536 38.000 -0.009 0.000 1.394 85 I HN 0.031 nan 8.210 nan 0.000 0.562 86 V N 7.867 127.784 119.914 0.005 0.000 2.378 86 V HA 0.364 4.484 4.120 0.000 0.000 0.288 86 V C -0.045 176.059 176.094 0.017 0.000 1.016 86 V CA -0.565 61.740 62.300 0.010 0.000 0.840 86 V CB 1.286 33.114 31.823 0.009 0.000 0.994 86 V HN 0.444 nan 8.190 nan 0.000 0.431 87 L N 4.371 125.608 121.223 0.024 0.000 2.280 87 L HA 0.348 4.688 4.340 0.000 0.000 0.287 87 L C 1.501 178.393 176.870 0.036 0.000 1.023 87 L CA -0.292 54.566 54.840 0.031 0.000 0.819 87 L CB 1.662 43.745 42.059 0.040 0.000 1.212 87 L HN 0.657 nan 8.230 nan 0.000 0.420 88 T N 0.196 114.768 114.554 0.030 0.000 2.759 88 T HA -0.129 4.221 4.350 0.000 0.000 0.269 88 T C 0.810 175.534 174.700 0.039 0.000 1.042 88 T CA 1.462 63.580 62.100 0.030 0.000 1.140 88 T CB -0.020 68.861 68.868 0.022 0.000 0.864 88 T HN 0.599 nan 8.240 nan 0.000 0.455 89 S N -0.655 115.070 115.700 0.041 0.000 2.537 89 S HA 0.581 5.051 4.470 0.000 0.000 0.270 89 S C -0.920 173.713 174.600 0.055 0.000 1.142 89 S CA -0.763 57.467 58.200 0.049 0.000 0.870 89 S CB 1.207 64.427 63.200 0.033 0.000 1.112 89 S HN 0.637 nan 8.310 nan 0.000 0.466 90 C N 2.297 121.642 119.300 0.075 0.000 3.336 90 C HA 0.780 5.241 4.460 0.000 0.000 0.339 90 C C -1.054 173.992 174.990 0.093 0.000 1.468 90 C CA -1.141 57.925 59.018 0.079 0.000 1.287 90 C CB -0.388 27.409 27.740 0.095 0.000 1.682 90 C HN 0.925 nan 8.230 nan 0.000 0.451 91 L N 1.242 122.529 121.223 0.106 0.000 2.399 91 L HA 0.712 5.052 4.340 0.000 0.000 0.266 91 L C -0.300 176.700 176.870 0.215 0.000 1.114 91 L CA -0.375 54.558 54.840 0.155 0.000 0.804 91 L CB 1.324 43.468 42.059 0.141 0.000 1.146 91 L HN 0.626 nan 8.230 nan 0.000 0.451 92 V N 0.658 120.690 119.914 0.197 0.000 2.444 92 V HA 0.197 4.317 4.120 0.000 0.000 0.294 92 V C -0.679 175.477 176.094 0.103 0.000 1.022 92 V CA -0.666 61.697 62.300 0.105 0.000 0.850 92 V CB 1.733 33.425 31.823 -0.218 0.000 0.992 92 V HN 0.636 nan 8.190 nan 0.000 0.426 93 D N 3.413 123.868 120.400 0.091 0.000 2.365 93 D HA 0.127 4.768 4.640 0.000 0.000 0.237 93 D C 1.312 177.512 176.300 -0.168 0.000 1.190 93 D CA 0.088 53.987 54.000 -0.169 0.000 0.867 93 D CB 1.618 42.440 40.800 0.037 0.000 1.050 93 D HN 0.715 nan 8.370 nan 0.000 0.491 94 T N 0.732 115.135 114.554 -0.252 0.000 3.194 94 T HA 0.136 4.486 4.350 0.000 0.000 0.251 94 T C 1.079 175.659 174.700 -0.200 0.000 1.132 94 T CA 0.517 62.509 62.100 -0.179 0.000 1.028 94 T CB 0.233 69.006 68.868 -0.158 0.000 0.976 94 T HN 0.311 nan 8.240 nan 0.000 0.535 95 K N 0.407 120.660 120.400 -0.244 0.000 2.642 95 K HA 0.260 4.580 4.320 0.000 0.000 0.214 95 K C 1.158 177.638 176.600 -0.200 0.000 1.451 95 K CA 0.013 56.153 56.287 -0.246 0.000 0.917 95 K CB 0.540 32.803 32.500 -0.395 0.000 1.779 95 K HN 0.071 nan 8.250 nan 0.000 0.447 96 N N 2.112 120.690 118.700 -0.203 0.000 2.322 96 N HA -0.021 4.719 4.740 0.000 0.000 0.194 96 N C -0.326 174.902 175.510 -0.471 0.000 1.126 96 N CA 0.219 53.076 53.050 -0.322 0.000 0.845 96 N CB 0.301 38.598 38.487 -0.316 0.000 0.976 96 N HN 0.292 nan 8.380 nan 0.000 0.475 97 N N 0.409 118.959 118.700 -0.251 0.000 2.721 97 N HA -0.153 4.587 4.740 0.000 0.000 0.249 97 N C -1.086 174.325 175.510 -0.166 0.000 1.072 97 N CA 0.313 53.266 53.050 -0.163 0.000 0.710 97 N CB -0.860 37.538 38.487 -0.148 0.000 0.993 97 N HN 0.359 nan 8.380 nan 0.000 0.547 98 W N 0.496 121.823 121.300 0.045 0.000 2.193 98 W HA 0.298 4.958 4.660 0.000 0.000 0.338 98 W C 0.816 177.394 176.519 0.098 0.000 1.310 98 W CA -0.247 57.152 57.345 0.089 0.000 1.243 98 W CB 0.571 30.125 29.460 0.158 0.000 1.165 98 W HN 0.209 nan 8.180 nan 0.000 0.566 99 A N 5.151 128.174 122.820 0.338 0.000 2.363 99 A HA 0.739 5.059 4.320 0.000 0.000 0.296 99 A C -1.097 176.620 177.584 0.223 0.000 1.237 99 A CA -0.652 51.524 52.037 0.233 0.000 0.773 99 A CB 0.254 19.341 19.000 0.146 0.000 1.153 99 A HN 0.605 nan 8.150 nan 0.000 0.473 100 I N 3.851 124.536 120.570 0.192 0.000 2.447 100 I HA 0.310 4.480 4.170 0.000 0.000 0.287 100 I C -0.744 175.427 176.117 0.090 0.000 1.023 100 I CA -0.659 60.720 61.300 0.132 0.000 1.083 100 I CB 1.898 39.953 38.000 0.092 0.000 1.245 100 I HN 0.419 nan 8.210 nan 0.000 0.434 101 I N 5.566 126.179 120.570 0.073 0.000 2.301 101 I HA 0.302 4.472 4.170 0.000 0.000 0.292 101 I C 0.937 177.078 176.117 0.039 0.000 1.046 101 I CA 0.264 61.598 61.300 0.056 0.000 1.282 101 I CB 0.397 38.431 38.000 0.057 0.000 1.409 101 I HN 0.636 nan 8.210 nan 0.000 0.484 102 G N 6.010 114.827 108.800 0.029 0.000 2.568 102 G HA2 0.368 4.329 3.960 0.000 0.000 0.293 102 G HA3 0.368 4.329 3.960 0.000 0.000 0.293 102 G C 0.875 175.784 174.900 0.014 0.000 1.347 102 G CA -0.508 44.598 45.100 0.010 0.000 1.039 102 G HN 0.553 nan 8.290 nan 0.000 0.523 103 R N -0.339 120.164 120.500 0.005 0.000 2.148 103 R HA -0.065 4.275 4.340 0.000 0.000 0.227 103 R C 2.211 178.519 176.300 0.013 0.000 1.103 103 R CA 1.433 57.539 56.100 0.009 0.000 0.983 103 R CB -0.103 30.198 30.300 0.002 0.000 0.874 103 R HN 0.722 nan 8.270 nan 0.000 0.451 104 D N 1.066 121.472 120.400 0.010 0.000 2.106 104 D HA -0.203 4.437 4.640 0.000 0.000 0.191 104 D C 1.689 178.001 176.300 0.020 0.000 0.997 104 D CA 1.753 55.761 54.000 0.014 0.000 0.834 104 D CB -0.517 40.291 40.800 0.013 0.000 0.956 104 D HN 0.168 nan 8.370 nan 0.000 0.448 105 A N 0.390 123.224 122.820 0.024 0.000 1.930 105 A HA 0.027 4.348 4.320 0.000 0.000 0.217 105 A C 2.604 180.209 177.584 0.035 0.000 1.175 105 A CA 1.076 53.130 52.037 0.027 0.000 0.627 105 A CB -0.845 18.172 19.000 0.029 0.000 0.815 105 A HN 0.284 nan 8.150 nan 0.000 0.443 106 L N -0.695 120.551 121.223 0.038 0.000 2.141 106 L HA -0.213 4.127 4.340 0.000 0.000 0.209 106 L C 2.820 179.716 176.870 0.043 0.000 1.094 106 L CA 1.628 56.497 54.840 0.048 0.000 0.763 106 L CB -0.480 41.605 42.059 0.044 0.000 0.908 106 L HN 0.602 nan 8.230 nan 0.000 0.437 107 Q N 0.207 120.026 119.800 0.032 0.000 2.050 107 Q HA -0.250 4.090 4.340 0.000 0.000 0.202 107 Q C 2.180 178.198 176.000 0.030 0.000 0.980 107 Q CA 1.596 57.416 55.803 0.027 0.000 0.840 107 Q CB -0.011 28.738 28.738 0.020 0.000 0.898 107 Q HN 0.550 nan 8.270 nan 0.000 0.424 108 Q N -0.753 119.065 119.800 0.029 0.000 2.224 108 Q HA -0.118 4.223 4.340 0.000 0.000 0.203 108 Q C 2.151 178.175 176.000 0.040 0.000 0.970 108 Q CA 1.070 56.890 55.803 0.028 0.000 0.865 108 Q CB 0.048 28.798 28.738 0.021 0.000 0.922 108 Q HN 0.460 nan 8.270 nan 0.000 0.445 109 C N 0.617 119.949 119.300 0.054 0.000 2.456 109 C HA -0.054 4.407 4.460 0.000 0.000 0.279 109 C C 0.669 175.713 174.990 0.090 0.000 1.427 109 C CA 0.230 59.303 59.018 0.091 0.000 1.778 109 C CB -0.786 27.023 27.740 0.115 0.000 1.842 109 C HN 0.582 nan 8.230 nan 0.000 0.531 110 Q N -0.968 118.867 119.800 0.058 0.000 2.475 110 Q HA -0.172 4.168 4.340 0.000 0.000 0.280 110 Q C 0.462 176.488 176.000 0.044 0.000 1.234 110 Q CA 0.316 56.145 55.803 0.044 0.000 0.873 110 Q CB -1.924 26.835 28.738 0.035 0.000 1.256 110 Q HN 0.798 nan 8.270 nan 0.000 0.475 111 G N 0.504 109.338 108.800 0.056 0.000 2.398 111 G HA2 0.417 4.378 3.960 0.000 0.000 0.246 111 G HA3 0.417 4.378 3.960 0.000 0.000 0.246 111 G C 0.270 175.193 174.900 0.038 0.000 1.289 111 G CA 0.241 45.373 45.100 0.052 0.000 0.869 111 G HN 0.492 nan 8.290 nan 0.000 0.543 112 V N 1.094 121.029 119.914 0.035 0.000 2.962 112 V HA 0.698 4.818 4.120 0.000 0.000 0.313 112 V C -0.172 175.958 176.094 0.059 0.000 1.099 112 V CA -1.425 60.900 62.300 0.043 0.000 0.971 112 V CB 1.892 33.739 31.823 0.041 0.000 1.028 112 V HN 0.632 nan 8.190 nan 0.000 0.430 113 L N 3.201 124.464 121.223 0.065 0.000 2.312 113 L HA 0.526 4.866 4.340 0.000 0.000 0.281 113 L C -1.256 175.698 176.870 0.140 0.000 1.070 113 L CA -0.600 54.286 54.840 0.077 0.000 0.805 113 L CB 1.394 43.478 42.059 0.042 0.000 1.174 113 L HN 0.902 nan 8.230 nan 0.000 0.434 114 Y N 5.121 125.418 120.300 -0.005 0.000 2.338 114 Y HA 0.495 5.046 4.550 0.000 0.000 0.333 114 Y C -1.263 174.634 175.900 -0.005 0.000 0.968 114 Y CA -1.015 57.082 58.100 -0.006 0.000 1.123 114 Y CB 1.110 39.565 38.460 -0.009 0.000 1.165 114 Y HN 0.316 nan 8.280 nan 0.000 0.452 115 L N 9.058 129.953 121.223 -0.546 0.000 2.294 115 L HA 0.498 4.838 4.340 0.000 0.000 0.283 115 L C -1.892 174.504 176.870 -0.791 0.000 1.015 115 L CA -1.897 52.637 54.840 -0.510 0.000 0.831 115 L CB 1.056 42.977 42.059 -0.230 0.000 1.217 115 L HN 0.573 nan 8.230 nan 0.000 0.420 116 P HA 0.000 nan 4.420 nan 0.000 0.216 116 P CA 0.000 62.771 63.100 -0.548 0.000 0.800 116 P CB 0.000 31.549 31.700 -0.252 0.000 0.726