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 2c45_1_E DATA FIRST_RESID 1 DATA SEQUENCE MLRTMLKSKI HRATVTCADL HYVGSVTIDA DLMDAADLLE GEQVTIVDID DATA SEQUENCE NGARLVTYAI TGERGSGVIG INGAAAHLVH PGDLVILIAY ATMDDARART DATA SEQUENCE YQPRIVFVDA YNKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 L N 1.996 123.222 121.223 0.005 0.000 2.298 2 L HA 0.631 4.971 4.340 0.000 0.000 0.284 2 L C -0.606 176.273 176.870 0.015 0.000 1.013 2 L CA -0.611 54.234 54.840 0.009 0.000 0.824 2 L CB 1.656 43.718 42.059 0.006 0.000 1.221 2 L HN 0.644 nan 8.230 nan 0.000 0.418 3 R N 1.086 121.601 120.500 0.024 0.000 2.604 3 R HA 0.455 4.795 4.340 0.000 0.000 0.287 3 R C -0.196 176.136 176.300 0.054 0.000 0.970 3 R CA -0.676 55.445 56.100 0.035 0.000 0.946 3 R CB 2.281 32.606 30.300 0.042 0.000 1.127 3 R HN 0.451 nan 8.270 nan 0.000 0.473 4 T N 2.442 117.032 114.554 0.060 0.000 2.799 4 T HA 0.572 4.923 4.350 0.000 0.000 0.286 4 T C -0.201 174.601 174.700 0.171 0.000 0.973 4 T CA -0.408 61.749 62.100 0.096 0.000 1.035 4 T CB 0.446 69.339 68.868 0.041 0.000 0.932 4 T HN 0.413 nan 8.240 nan 0.000 0.469 5 M N 4.017 123.753 119.600 0.226 0.000 2.531 5 M HA 0.380 4.860 4.480 0.000 0.000 0.286 5 M C -1.033 175.362 176.300 0.159 0.000 1.232 5 M CA -1.237 54.201 55.300 0.229 0.000 0.877 5 M CB 2.192 34.891 32.600 0.166 0.000 1.726 5 M HN 0.528 nan 8.290 nan 0.000 0.463 6 L N 3.557 124.777 121.223 -0.005 0.000 2.698 6 L HA 0.018 4.358 4.340 0.000 0.000 0.272 6 L C 1.042 177.800 176.870 -0.186 0.000 1.154 6 L CA 1.173 55.853 54.840 -0.267 0.000 0.964 6 L CB -0.125 41.771 42.059 -0.271 0.000 1.272 6 L HN 0.784 nan 8.230 nan 0.000 0.483 7 K N 2.526 122.832 120.400 -0.156 0.000 2.244 7 K HA 0.133 4.453 4.320 0.000 0.000 0.200 7 K C 0.010 176.505 176.600 -0.174 0.000 1.052 7 K CA 0.835 57.064 56.287 -0.097 0.000 0.980 7 K CB 0.358 32.897 32.500 0.066 0.000 0.838 7 K HN 0.786 nan 8.250 nan 0.000 0.481 8 S N -0.246 115.353 115.700 -0.168 0.000 2.570 8 S HA 0.458 4.928 4.470 0.000 0.000 0.270 8 S C -1.459 173.051 174.600 -0.150 0.000 1.149 8 S CA -1.016 57.096 58.200 -0.147 0.000 0.837 8 S CB 2.215 65.364 63.200 -0.085 0.000 1.124 8 S HN 0.214 nan 8.310 nan 0.000 0.465 9 K N 1.504 121.831 120.400 -0.121 0.000 2.587 9 K HA 0.394 4.714 4.320 0.000 0.000 0.256 9 K C -1.974 174.606 176.600 -0.033 0.000 0.974 9 K CA -0.613 55.626 56.287 -0.080 0.000 0.855 9 K CB 1.180 33.626 32.500 -0.090 0.000 1.292 9 K HN 0.808 nan 8.250 nan 0.000 0.444 10 I N 4.600 125.171 120.570 0.002 0.000 2.281 10 I HA 0.108 4.278 4.170 0.000 0.000 0.293 10 I C -0.215 175.960 176.117 0.097 0.000 1.085 10 I CA -0.794 60.525 61.300 0.031 0.000 1.257 10 I CB 0.317 38.325 38.000 0.012 0.000 1.430 10 I HN 0.569 nan 8.210 nan 0.000 0.489 11 H N 7.746 126.840 119.070 0.040 0.000 2.800 11 H HA 0.243 4.799 4.556 0.000 0.000 0.291 11 H C 0.209 175.587 175.328 0.083 0.000 1.076 11 H CA -0.085 56.017 56.048 0.090 0.000 1.452 11 H CB 0.219 30.108 29.762 0.211 0.000 1.461 11 H HN 0.437 nan 8.280 nan 0.000 0.488 12 R N 1.821 122.126 120.500 -0.326 0.000 3.532 12 R HA -0.155 4.185 4.340 0.000 0.000 0.284 12 R C -0.304 175.926 176.300 -0.117 0.000 1.140 12 R CA 0.619 56.542 56.100 -0.295 0.000 0.768 12 R CB -2.217 27.797 30.300 -0.476 0.000 1.252 12 R HN 0.602 nan 8.270 nan 0.000 0.454 13 A N 0.692 123.481 122.820 -0.052 0.000 2.366 13 A HA 0.475 4.795 4.320 0.000 0.000 0.249 13 A C 0.626 178.203 177.584 -0.011 0.000 1.084 13 A CA 0.253 52.282 52.037 -0.015 0.000 0.794 13 A CB 0.530 19.532 19.000 0.003 0.000 1.034 13 A HN 0.198 nan 8.150 nan 0.000 0.491 14 T N 1.235 115.795 114.554 0.009 0.000 2.829 14 T HA 0.397 4.747 4.350 0.000 0.000 0.282 14 T C -0.049 174.665 174.700 0.023 0.000 0.990 14 T CA -0.394 61.716 62.100 0.017 0.000 1.028 14 T CB 1.186 70.075 68.868 0.035 0.000 0.951 14 T HN 0.411 nan 8.240 nan 0.000 0.460 15 V N 5.060 124.987 119.914 0.021 0.000 2.400 15 V HA -0.002 4.118 4.120 0.000 0.000 0.263 15 V C 1.688 177.798 176.094 0.028 0.000 1.026 15 V CA 0.473 62.787 62.300 0.022 0.000 1.077 15 V CB -0.487 31.351 31.823 0.026 0.000 1.054 15 V HN 1.049 nan 8.190 nan 0.000 0.477 16 T N 4.087 118.655 114.554 0.023 0.000 2.545 16 T HA -0.146 4.204 4.350 0.000 0.000 0.261 16 T C 0.886 175.598 174.700 0.019 0.000 1.097 16 T CA 1.934 64.046 62.100 0.019 0.000 1.189 16 T CB -0.009 68.867 68.868 0.013 0.000 0.863 16 T HN 0.920 nan 8.240 nan 0.000 0.405 17 C N -0.198 119.114 119.300 0.019 0.000 3.017 17 C HA 0.957 5.417 4.460 0.000 0.000 0.380 17 C C -1.169 173.841 174.990 0.033 0.000 1.583 17 C CA -0.605 58.427 59.018 0.023 0.000 1.616 17 C CB 1.045 28.795 27.740 0.017 0.000 2.145 17 C HN 0.784 nan 8.230 nan 0.000 0.466 18 A N 1.216 124.060 122.820 0.040 0.000 2.547 18 A HA 0.610 4.930 4.320 0.000 0.000 0.300 18 A C -1.885 175.736 177.584 0.061 0.000 1.061 18 A CA 0.168 52.238 52.037 0.054 0.000 0.808 18 A CB 0.874 19.920 19.000 0.076 0.000 1.304 18 A HN 1.165 nan 8.150 nan 0.000 0.393 19 D N 2.233 122.677 120.400 0.075 0.000 2.686 19 D HA 0.452 5.092 4.640 0.000 0.000 0.249 19 D C 0.616 176.995 176.300 0.131 0.000 1.260 19 D CA -0.572 53.485 54.000 0.095 0.000 0.910 19 D CB 1.433 42.291 40.800 0.096 0.000 1.323 19 D HN 0.271 nan 8.370 nan 0.000 0.561 20 L N 3.536 124.850 121.223 0.151 0.000 2.017 20 L HA 0.060 4.400 4.340 0.000 0.000 0.208 20 L C 0.320 177.333 176.870 0.237 0.000 1.073 20 L CA 1.972 56.934 54.840 0.204 0.000 0.745 20 L CB -0.992 41.198 42.059 0.218 0.000 0.894 20 L HN 0.572 nan 8.230 nan 0.000 0.432 21 H N -2.298 116.832 119.070 0.101 0.000 2.505 21 H HA 0.343 4.900 4.556 0.000 0.000 0.355 21 H C -1.026 174.424 175.328 0.203 0.000 1.179 21 H CA -0.206 55.916 56.048 0.124 0.000 1.343 21 H CB 0.151 29.980 29.762 0.111 0.000 1.501 21 H HN 0.106 nan 8.280 nan 0.000 0.569 22 Y N -0.517 119.820 120.300 0.062 0.000 2.557 22 Y HA -0.237 4.314 4.550 0.000 0.000 0.028 22 Y C -1.184 174.739 175.900 0.038 0.000 1.751 22 Y CA 0.088 58.218 58.100 0.049 0.000 1.382 22 Y CB -0.695 37.807 38.460 0.070 0.000 2.030 22 Y HN 0.397 nan 8.280 nan 0.000 0.262 23 V N 4.548 124.338 119.914 -0.208 0.000 2.732 23 V HA 0.827 4.947 4.120 0.000 0.000 0.310 23 V C 0.743 176.861 176.094 0.040 0.000 1.053 23 V CA 0.288 62.563 62.300 -0.041 0.000 0.957 23 V CB 1.807 33.610 31.823 -0.034 0.000 1.018 23 V HN 1.222 nan 8.190 nan 0.000 0.452 24 G N 1.206 110.040 108.800 0.056 0.000 5.310 24 G HA2 0.355 4.315 3.960 0.000 0.000 0.203 24 G HA3 0.355 4.315 3.960 0.000 0.000 0.203 24 G C 0.427 175.183 174.900 -0.240 0.000 0.800 24 G CA 1.027 46.150 45.100 0.039 0.000 0.754 24 G HN 1.245 nan 8.290 nan 0.000 0.308 25 S N -1.076 114.401 115.700 -0.372 0.000 4.157 25 S HA -0.365 4.105 4.470 0.000 0.000 0.538 25 S C 0.459 174.895 174.600 -0.272 0.000 1.717 25 S CA 1.537 59.444 58.200 -0.489 0.000 4.089 25 S CB -1.337 61.169 63.200 -1.155 0.000 1.082 25 S HN 1.309 nan 8.310 nan 0.000 0.457 26 V N 3.016 122.757 119.914 -0.289 0.000 2.444 26 V HA 0.673 4.793 4.120 0.000 0.000 0.294 26 V C 0.307 176.341 176.094 -0.101 0.000 1.022 26 V CA -0.115 62.100 62.300 -0.141 0.000 0.850 26 V CB 1.239 32.998 31.823 -0.107 0.000 0.992 26 V HN 1.125 nan 8.190 nan 0.000 0.426 27 T N 3.581 118.106 114.554 -0.047 0.000 2.743 27 T HA 0.785 5.135 4.350 0.000 0.000 0.292 27 T C -0.490 174.207 174.700 -0.005 0.000 0.972 27 T CA -0.368 61.724 62.100 -0.013 0.000 0.967 27 T CB 0.697 69.572 68.868 0.011 0.000 0.926 27 T HN 0.375 nan 8.240 nan 0.000 0.459 28 I N 2.449 123.019 120.570 0.001 0.000 2.460 28 I HA 0.303 4.473 4.170 0.000 0.000 0.298 28 I C 0.500 176.623 176.117 0.011 0.000 0.989 28 I CA -1.173 60.130 61.300 0.005 0.000 1.173 28 I CB 1.503 39.505 38.000 0.003 0.000 1.338 28 I HN 0.648 nan 8.210 nan 0.000 0.456 29 D N 4.113 124.520 120.400 0.012 0.000 2.531 29 D HA -0.039 4.601 4.640 0.000 0.000 0.239 29 D C 1.061 177.369 176.300 0.013 0.000 1.144 29 D CA 0.434 54.441 54.000 0.013 0.000 0.869 29 D CB 1.400 42.210 40.800 0.016 0.000 1.160 29 D HN 0.720 nan 8.370 nan 0.000 0.484 30 A N 5.271 128.099 122.820 0.014 0.000 1.896 30 A HA -0.277 4.043 4.320 0.000 0.000 0.220 30 A C 1.794 179.384 177.584 0.011 0.000 1.206 30 A CA 1.999 54.044 52.037 0.014 0.000 0.647 30 A CB -0.382 18.626 19.000 0.014 0.000 0.828 30 A HN 0.773 nan 8.150 nan 0.000 0.455 31 D N -0.194 120.212 120.400 0.010 0.000 2.158 31 D HA -0.160 4.480 4.640 0.000 0.000 0.197 31 D C 1.954 178.256 176.300 0.004 0.000 0.995 31 D CA 1.455 55.459 54.000 0.008 0.000 0.846 31 D CB -0.295 40.511 40.800 0.010 0.000 0.941 31 D HN 0.514 nan 8.370 nan 0.000 0.456 32 L N 0.184 121.411 121.223 0.006 0.000 2.093 32 L HA -0.106 4.234 4.340 0.000 0.000 0.208 32 L C 2.715 179.583 176.870 -0.003 0.000 1.085 32 L CA 0.692 55.532 54.840 0.001 0.000 0.755 32 L CB -0.300 41.763 42.059 0.006 0.000 0.904 32 L HN 0.005 nan 8.230 nan 0.000 0.435 33 M N -0.574 119.028 119.600 0.003 0.000 2.159 33 M HA -0.187 4.293 4.480 0.000 0.000 0.263 33 M C 1.695 177.996 176.300 0.002 0.000 1.063 33 M CA 1.482 56.785 55.300 0.005 0.000 1.110 33 M CB -0.474 32.134 32.600 0.013 0.000 1.374 33 M HN 0.264 nan 8.290 nan 0.000 0.411 34 D N 0.664 121.065 120.400 0.002 0.000 2.091 34 D HA -0.040 4.600 4.640 0.000 0.000 0.199 34 D C 2.055 178.349 176.300 -0.009 0.000 0.980 34 D CA 1.493 55.493 54.000 0.000 0.000 0.831 34 D CB -0.315 40.487 40.800 0.003 0.000 0.987 34 D HN 0.285 nan 8.370 nan 0.000 0.460 35 A N 1.452 124.263 122.820 -0.015 0.000 1.892 35 A HA -0.115 4.205 4.320 0.000 0.000 0.218 35 A C 2.209 179.766 177.584 -0.045 0.000 1.188 35 A CA 2.452 54.471 52.037 -0.030 0.000 0.631 35 A CB -0.656 18.326 19.000 -0.029 0.000 0.822 35 A HN 0.265 nan 8.150 nan 0.000 0.447 36 A N -1.317 121.479 122.820 -0.040 0.000 2.251 36 A HA 0.348 4.668 4.320 0.000 0.000 0.209 36 A C 0.572 178.134 177.584 -0.036 0.000 1.187 36 A CA 0.932 52.937 52.037 -0.053 0.000 0.823 36 A CB -0.560 18.412 19.000 -0.046 0.000 0.846 36 A HN 0.788 nan 8.150 nan 0.000 0.486 37 D N -1.087 119.302 120.400 -0.019 0.000 3.508 37 D HA -0.137 4.503 4.640 0.000 0.000 0.232 37 D C -0.741 175.563 176.300 0.006 0.000 1.131 37 D CA 0.789 54.788 54.000 -0.001 0.000 1.040 37 D CB -1.385 39.418 40.800 0.005 0.000 0.879 37 D HN 0.370 nan 8.370 nan 0.000 0.407 38 L N 2.551 123.780 121.223 0.011 0.000 2.422 38 L HA 0.589 4.929 4.340 0.000 0.000 0.264 38 L C -0.165 176.721 176.870 0.028 0.000 0.984 38 L CA -1.127 53.725 54.840 0.021 0.000 0.819 38 L CB 1.760 43.829 42.059 0.016 0.000 1.330 38 L HN 0.188 nan 8.230 nan 0.000 0.410 39 L N 1.441 122.686 121.223 0.037 0.000 2.317 39 L HA 0.414 4.755 4.340 0.000 0.000 0.281 39 L C 0.235 177.137 176.870 0.053 0.000 1.024 39 L CA -0.621 54.242 54.840 0.039 0.000 0.810 39 L CB 1.767 43.848 42.059 0.036 0.000 1.240 39 L HN 0.621 nan 8.230 nan 0.000 0.427 40 E N 2.709 122.941 120.200 0.053 0.000 2.614 40 E HA 0.217 4.567 4.350 0.000 0.000 0.245 40 E C 0.259 176.911 176.600 0.086 0.000 1.039 40 E CA 0.655 57.099 56.400 0.074 0.000 0.948 40 E CB 0.157 29.895 29.700 0.064 0.000 0.937 40 E HN 0.800 nan 8.360 nan 0.000 0.498 41 G N 4.068 112.951 108.800 0.138 0.000 3.081 41 G HA2 -0.185 3.775 3.960 0.000 0.000 0.603 41 G HA3 -0.185 3.775 3.960 0.000 0.000 0.603 41 G C -0.638 174.325 174.900 0.106 0.000 1.106 41 G CA 0.043 45.223 45.100 0.134 0.000 1.001 41 G HN 0.600 nan 8.290 nan 0.000 0.445 42 E N 1.058 121.344 120.200 0.143 0.000 2.748 42 E HA 0.173 4.523 4.350 0.000 0.000 0.320 42 E C -0.070 176.604 176.600 0.124 0.000 0.996 42 E CA -0.636 55.827 56.400 0.105 0.000 0.835 42 E CB 0.899 30.646 29.700 0.078 0.000 1.265 42 E HN 0.602 nan 8.360 nan 0.000 0.420 43 Q N 2.545 122.413 119.800 0.113 0.000 2.262 43 Q HA 0.148 4.488 4.340 0.000 0.000 0.298 43 Q C -0.965 175.098 176.000 0.105 0.000 1.083 43 Q CA 0.409 56.280 55.803 0.113 0.000 0.962 43 Q CB 0.590 29.386 28.738 0.097 0.000 1.104 43 Q HN 0.246 nan 8.270 nan 0.000 0.376 44 V N 3.531 123.497 119.914 0.086 0.000 2.735 44 V HA 0.416 4.536 4.120 0.000 0.000 0.310 44 V C -0.093 176.043 176.094 0.069 0.000 1.061 44 V CA -0.797 61.545 62.300 0.069 0.000 0.913 44 V CB 2.407 34.248 31.823 0.031 0.000 1.005 44 V HN 0.746 nan 8.190 nan 0.000 0.428 45 T N 4.819 119.428 114.554 0.091 0.000 2.895 45 T HA 0.734 5.084 4.350 0.000 0.000 0.283 45 T C -0.506 174.226 174.700 0.054 0.000 1.014 45 T CA -0.213 61.941 62.100 0.091 0.000 1.037 45 T CB 1.093 70.063 68.868 0.171 0.000 1.006 45 T HN 0.402 nan 8.240 nan 0.000 0.468 46 I N 2.471 123.062 120.570 0.036 0.000 2.582 46 I HA 0.573 4.743 4.170 0.000 0.000 0.292 46 I C -0.753 175.377 176.117 0.021 0.000 1.066 46 I CA -1.294 60.018 61.300 0.019 0.000 1.053 46 I CB 2.192 40.189 38.000 -0.005 0.000 1.241 46 I HN 0.355 nan 8.210 nan 0.000 0.421 47 V N 0.904 120.832 119.914 0.023 0.000 2.525 47 V HA 0.494 4.614 4.120 0.000 0.000 0.299 47 V C -0.879 175.223 176.094 0.013 0.000 1.034 47 V CA -0.561 61.753 62.300 0.024 0.000 0.863 47 V CB 1.863 33.710 31.823 0.041 0.000 0.999 47 V HN 0.707 nan 8.190 nan 0.000 0.423 48 D N 3.818 124.221 120.400 0.005 0.000 2.380 48 D HA 0.349 4.989 4.640 0.000 0.000 0.230 48 D C 0.935 177.241 176.300 0.010 0.000 1.154 48 D CA -0.245 53.756 54.000 0.001 0.000 0.859 48 D CB 1.574 42.367 40.800 -0.012 0.000 1.045 48 D HN 0.523 nan 8.370 nan 0.000 0.495 49 I N 3.318 123.893 120.570 0.009 0.000 2.264 49 I HA -0.265 3.905 4.170 0.000 0.000 0.248 49 I C 1.612 177.737 176.117 0.014 0.000 1.111 49 I CA 1.312 62.618 61.300 0.011 0.000 1.382 49 I CB -0.191 37.809 38.000 -0.000 0.000 1.060 49 I HN 0.377 nan 8.210 nan 0.000 0.418 50 D N 0.062 120.472 120.400 0.017 0.000 2.224 50 D HA -0.115 4.525 4.640 0.000 0.000 0.205 50 D C 0.995 177.314 176.300 0.032 0.000 0.965 50 D CA 1.138 55.153 54.000 0.025 0.000 0.852 50 D CB -0.241 40.580 40.800 0.034 0.000 0.947 50 D HN 0.572 nan 8.370 nan 0.000 0.494 51 N N -1.876 116.843 118.700 0.032 0.000 2.390 51 N HA 0.159 4.899 4.740 0.000 0.000 0.259 51 N C 0.881 176.406 175.510 0.025 0.000 1.395 51 N CA -0.006 53.066 53.050 0.036 0.000 0.852 51 N CB 0.300 38.821 38.487 0.058 0.000 1.371 51 N HN -0.017 nan 8.380 nan 0.000 0.491 52 G N -0.479 108.333 108.800 0.020 0.000 2.309 52 G HA2 -0.234 3.726 3.960 0.000 0.000 0.286 52 G HA3 -0.234 3.726 3.960 0.000 0.000 0.286 52 G C 0.539 175.446 174.900 0.013 0.000 1.002 52 G CA 0.507 45.617 45.100 0.017 0.000 0.786 52 G HN 0.938 nan 8.290 nan 0.000 0.511 53 A N -0.652 122.171 122.820 0.005 0.000 2.346 53 A HA 0.795 5.115 4.320 0.000 0.000 0.252 53 A C 0.809 178.393 177.584 -0.001 0.000 1.089 53 A CA 0.174 52.208 52.037 -0.005 0.000 0.797 53 A CB 0.479 19.462 19.000 -0.028 0.000 1.047 53 A HN 0.635 nan 8.150 nan 0.000 0.494 54 R N 0.146 120.644 120.500 -0.003 0.000 2.512 54 R HA 0.505 4.845 4.340 0.000 0.000 0.291 54 R C -1.692 174.607 176.300 -0.001 0.000 1.097 54 R CA -0.267 55.836 56.100 0.005 0.000 0.940 54 R CB 1.385 31.693 30.300 0.012 0.000 1.198 54 R HN 0.659 nan 8.270 nan 0.000 0.429 55 L N 1.847 123.070 121.223 0.001 0.000 2.309 55 L HA 0.769 5.109 4.340 0.000 0.000 0.261 55 L C -0.646 176.231 176.870 0.011 0.000 1.021 55 L CA -1.426 53.412 54.840 -0.004 0.000 0.823 55 L CB 2.498 44.546 42.059 -0.018 0.000 1.366 55 L HN 0.192 nan 8.230 nan 0.000 0.423 56 V N 0.244 120.165 119.914 0.011 0.000 2.482 56 V HA 0.678 4.798 4.120 0.000 0.000 0.295 56 V C -0.260 175.854 176.094 0.033 0.000 1.026 56 V CA -0.225 62.092 62.300 0.028 0.000 0.856 56 V CB 1.644 33.482 31.823 0.025 0.000 1.001 56 V HN 0.917 nan 8.190 nan 0.000 0.424 57 T N 3.394 117.970 114.554 0.036 0.000 2.671 57 T HA 0.638 4.988 4.350 0.000 0.000 0.300 57 T C -1.306 173.445 174.700 0.085 0.000 1.238 57 T CA -0.425 61.705 62.100 0.049 0.000 1.020 57 T CB 1.519 70.341 68.868 -0.075 0.000 1.503 57 T HN 0.608 nan 8.240 nan 0.000 0.497 58 Y N 0.614 120.921 120.300 0.012 0.000 2.334 58 Y HA 0.843 5.393 4.550 0.000 0.000 0.325 58 Y C -0.070 175.840 175.900 0.018 0.000 1.308 58 Y CA -1.225 56.883 58.100 0.015 0.000 1.389 58 Y CB 0.220 38.685 38.460 0.009 0.000 1.328 58 Y HN 0.734 nan 8.280 nan 0.000 0.532 59 A N 2.249 125.126 122.820 0.095 0.000 2.337 59 A HA 0.749 5.069 4.320 0.000 0.000 0.329 59 A C -1.028 176.601 177.584 0.074 0.000 1.146 59 A CA -0.909 51.131 52.037 0.005 0.000 0.800 59 A CB 0.439 19.455 19.000 0.027 0.000 1.220 59 A HN 0.764 nan 8.150 nan 0.000 0.472 60 I N 1.691 122.272 120.570 0.018 0.000 2.436 60 I HA 0.233 4.403 4.170 0.000 0.000 0.289 60 I C -0.076 176.067 176.117 0.043 0.000 1.010 60 I CA -0.478 60.861 61.300 0.066 0.000 1.098 60 I CB 2.277 40.318 38.000 0.068 0.000 1.266 60 I HN 0.620 nan 8.210 nan 0.000 0.434 61 T N 5.070 119.655 114.554 0.052 0.000 2.817 61 T HA 0.248 4.599 4.350 0.000 0.000 0.295 61 T C 0.541 175.261 174.700 0.033 0.000 0.958 61 T CA -0.288 61.834 62.100 0.037 0.000 1.157 61 T CB 0.710 69.600 68.868 0.037 0.000 0.898 61 T HN 0.813 nan 8.240 nan 0.000 0.536 62 G N 1.932 110.746 108.800 0.024 0.000 2.613 62 G HA2 0.496 4.456 3.960 0.000 0.000 0.303 62 G HA3 0.496 4.456 3.960 0.000 0.000 0.303 62 G C -0.551 174.359 174.900 0.017 0.000 1.312 62 G CA -0.739 44.373 45.100 0.021 0.000 1.036 62 G HN 0.703 nan 8.290 nan 0.000 0.513 63 E N -0.509 119.698 120.200 0.013 0.000 2.390 63 E HA 0.200 4.550 4.350 0.000 0.000 0.261 63 E C 0.319 176.924 176.600 0.009 0.000 1.076 63 E CA -0.259 56.146 56.400 0.010 0.000 0.905 63 E CB 0.632 30.335 29.700 0.005 0.000 0.984 63 E HN 0.255 nan 8.360 nan 0.000 0.427 64 R N 1.174 121.679 120.500 0.009 0.000 2.641 64 R HA 0.148 4.488 4.340 0.000 0.000 0.269 64 R C 1.097 177.402 176.300 0.009 0.000 1.074 64 R CA 0.761 56.866 56.100 0.010 0.000 1.133 64 R CB 0.467 30.772 30.300 0.009 0.000 1.029 64 R HN 0.919 nan 8.270 nan 0.000 0.488 65 G N 0.600 109.407 108.800 0.012 0.000 2.413 65 G HA2 -0.426 3.534 3.960 0.000 0.000 0.259 65 G HA3 -0.426 3.534 3.960 0.000 0.000 0.259 65 G C 1.028 175.933 174.900 0.008 0.000 1.003 65 G CA 1.158 46.267 45.100 0.014 0.000 0.629 65 G HN 0.704 nan 8.290 nan 0.000 0.548 66 S N 0.526 116.228 115.700 0.003 0.000 2.500 66 S HA 0.281 4.751 4.470 0.000 0.000 0.239 66 S C 2.346 176.946 174.600 0.001 0.000 0.989 66 S CA 1.277 59.475 58.200 -0.004 0.000 0.951 66 S CB -0.619 62.579 63.200 -0.003 0.000 0.759 66 S HN 2.393 nan 8.310 nan 0.000 0.523 67 G N 0.803 109.611 108.800 0.014 0.000 2.321 67 G HA2 -0.254 3.706 3.960 0.000 0.000 0.287 67 G HA3 -0.254 3.706 3.960 0.000 0.000 0.287 67 G C 0.104 175.015 174.900 0.020 0.000 1.018 67 G CA 0.313 45.428 45.100 0.027 0.000 0.855 67 G HN 0.652 nan 8.290 nan 0.000 0.507 68 V N 0.027 119.949 119.914 0.013 0.000 2.843 68 V HA 0.464 4.584 4.120 0.000 0.000 0.305 68 V C 1.043 177.144 176.094 0.011 0.000 1.065 68 V CA 0.727 63.033 62.300 0.010 0.000 1.116 68 V CB 1.377 33.205 31.823 0.008 0.000 0.968 68 V HN 0.368 nan 8.190 nan 0.000 0.487 69 I N 3.622 124.198 120.570 0.010 0.000 2.707 69 I HA 0.310 4.480 4.170 0.000 0.000 0.264 69 I C 0.293 176.413 176.117 0.005 0.000 1.469 69 I CA -0.053 61.251 61.300 0.006 0.000 0.914 69 I CB 1.060 39.066 38.000 0.009 0.000 1.419 69 I HN 0.731 nan 8.210 nan 0.000 0.527 70 G N 4.282 113.083 108.800 0.002 0.000 2.410 70 G HA2 0.827 4.787 3.960 0.000 0.000 0.330 70 G HA3 0.827 4.787 3.960 0.000 0.000 0.330 70 G C -0.727 174.168 174.900 -0.008 0.000 1.142 70 G CA -0.487 44.616 45.100 0.005 0.000 0.902 70 G HN 0.323 nan 8.290 nan 0.000 0.491 71 I N 1.409 121.979 120.570 -0.000 0.000 2.390 71 I HA 0.182 4.352 4.170 0.000 0.000 0.283 71 I C -0.865 175.258 176.117 0.011 0.000 1.016 71 I CA -0.768 60.524 61.300 -0.014 0.000 1.151 71 I CB 1.466 39.457 38.000 -0.014 0.000 1.293 71 I HN 0.270 nan 8.210 nan 0.000 0.458 72 N N 5.381 124.079 118.700 -0.002 0.000 2.422 72 N HA 0.575 5.315 4.740 0.000 0.000 0.266 72 N C 0.183 175.712 175.510 0.033 0.000 1.007 72 N CA -0.129 52.943 53.050 0.038 0.000 0.941 72 N CB 1.576 40.098 38.487 0.059 0.000 1.115 72 N HN 0.827 nan 8.380 nan 0.000 0.492 73 G N 1.368 110.211 108.800 0.071 0.000 3.116 73 G HA2 0.194 4.154 3.960 0.000 0.000 0.685 73 G HA3 0.194 4.154 3.960 0.000 0.000 0.685 73 G C 0.869 175.802 174.900 0.056 0.000 1.327 73 G CA 0.003 45.143 45.100 0.067 0.000 1.107 73 G HN 1.361 nan 8.290 nan 0.000 0.591 74 A N 1.149 124.027 122.820 0.095 0.000 1.344 74 A HA -0.001 4.319 4.320 0.000 0.000 0.222 74 A C 2.828 180.433 177.584 0.036 0.000 0.364 74 A CA 3.500 55.538 52.037 0.001 0.000 1.096 74 A CB -1.754 17.211 19.000 -0.059 0.000 1.468 74 A HN 2.892 nan 8.150 nan 0.000 0.722 75 A N -0.425 122.406 122.820 0.018 0.000 2.225 75 A HA 0.381 4.701 4.320 0.000 0.000 0.215 75 A C 2.350 179.956 177.584 0.038 0.000 1.164 75 A CA 1.767 53.805 52.037 0.001 0.000 0.710 75 A CB -1.051 17.930 19.000 -0.031 0.000 0.780 75 A HN 2.240 nan 8.150 nan 0.000 0.473 76 A N -0.650 122.249 122.820 0.132 0.000 2.070 76 A HA -0.037 4.284 4.320 0.000 0.000 0.220 76 A C 1.235 178.914 177.584 0.157 0.000 1.159 76 A CA 0.687 52.807 52.037 0.139 0.000 0.656 76 A CB -0.571 18.529 19.000 0.165 0.000 0.800 76 A HN 0.759 nan 8.150 nan 0.000 0.453 77 H N -2.548 116.526 119.070 0.007 0.000 2.523 77 H HA 0.453 5.010 4.556 0.000 0.000 0.317 77 H C 1.148 176.372 175.328 -0.172 0.000 1.511 77 H CA -0.593 55.484 56.048 0.049 0.000 1.499 77 H CB 0.432 30.227 29.762 0.056 0.000 1.742 77 H HN 0.091 nan 8.280 nan 0.000 0.750 78 L N -1.575 119.645 121.223 -0.006 0.000 3.415 78 L HA -0.343 3.997 4.340 0.000 0.000 0.185 78 L C 0.144 176.777 176.870 -0.394 0.000 4.448 78 L CA 1.589 56.353 54.840 -0.127 0.000 0.483 78 L CB -1.502 40.522 42.059 -0.059 0.000 3.552 78 L HN 0.275 nan 8.230 nan 0.000 0.712 79 V N 0.319 119.969 119.914 -0.439 0.000 2.435 79 V HA 0.556 4.676 4.120 0.000 0.000 0.290 79 V C -0.064 175.703 176.094 -0.546 0.000 1.030 79 V CA -0.604 61.459 62.300 -0.395 0.000 0.881 79 V CB 1.430 33.159 31.823 -0.156 0.000 0.983 79 V HN 0.227 nan 8.190 nan 0.000 0.445 80 H N 2.932 122.013 119.070 0.019 0.000 2.908 80 H HA 0.520 5.076 4.556 0.000 0.000 0.350 80 H C -2.710 172.623 175.328 0.009 0.000 1.217 80 H CA -2.252 53.804 56.048 0.013 0.000 1.168 80 H CB 2.010 31.776 29.762 0.007 0.000 1.891 80 H HN 0.326 nan 8.280 nan 0.000 0.566 81 P HA 0.078 nan 4.420 nan 0.000 0.272 81 P C 0.829 178.171 177.300 0.070 0.000 1.230 81 P CA 1.204 64.351 63.100 0.078 0.000 0.788 81 P CB 0.346 32.080 31.700 0.057 0.000 0.949 82 G N 0.316 109.145 108.800 0.048 0.000 2.189 82 G HA2 -0.218 3.742 3.960 0.000 0.000 0.267 82 G HA3 -0.218 3.742 3.960 0.000 0.000 0.267 82 G C -0.371 174.553 174.900 0.040 0.000 0.975 82 G CA 0.014 45.138 45.100 0.040 0.000 0.644 82 G HN 0.523 nan 8.290 nan 0.000 0.537 83 D N 0.223 120.651 120.400 0.046 0.000 2.225 83 D HA 0.546 5.186 4.640 0.000 0.000 0.248 83 D C 0.743 177.052 176.300 0.015 0.000 1.096 83 D CA -0.284 53.738 54.000 0.036 0.000 0.863 83 D CB 1.105 41.931 40.800 0.043 0.000 1.156 83 D HN 0.241 nan 8.370 nan 0.000 0.450 84 L N 2.729 123.954 121.223 0.003 0.000 2.278 84 L HA 0.378 4.718 4.340 0.000 0.000 0.287 84 L C 0.248 177.108 176.870 -0.016 0.000 1.072 84 L CA -0.661 54.169 54.840 -0.017 0.000 0.819 84 L CB 0.330 42.370 42.059 -0.032 0.000 1.176 84 L HN 0.205 nan 8.230 nan 0.000 0.435 85 V N 1.565 121.469 119.914 -0.018 0.000 3.181 85 V HA 0.671 4.791 4.120 0.000 0.000 0.314 85 V C -0.349 175.740 176.094 -0.008 0.000 1.173 85 V CA -0.906 61.389 62.300 -0.009 0.000 1.052 85 V CB 2.452 34.271 31.823 -0.007 0.000 1.123 85 V HN 0.518 nan 8.190 nan 0.000 0.454 86 I N 1.012 121.590 120.570 0.013 0.000 2.582 86 I HA 0.513 4.683 4.170 0.000 0.000 0.292 86 I C -1.047 175.089 176.117 0.032 0.000 1.066 86 I CA -0.519 60.803 61.300 0.036 0.000 1.053 86 I CB 2.103 40.149 38.000 0.076 0.000 1.241 86 I HN 0.461 nan 8.210 nan 0.000 0.421 87 L N 6.585 127.824 121.223 0.027 0.000 2.317 87 L HA 0.665 5.005 4.340 0.000 0.000 0.281 87 L C -0.678 176.192 176.870 0.001 0.000 1.024 87 L CA -0.574 54.275 54.840 0.015 0.000 0.810 87 L CB 1.616 43.678 42.059 0.006 0.000 1.240 87 L HN 0.413 nan 8.230 nan 0.000 0.427 88 I N 2.182 122.752 120.570 0.000 0.000 2.619 88 I HA 0.683 4.853 4.170 0.000 0.000 0.292 88 I C -0.509 175.579 176.117 -0.049 0.000 1.100 88 I CA -0.672 60.586 61.300 -0.070 0.000 1.043 88 I CB 2.292 40.244 38.000 -0.080 0.000 1.239 88 I HN 0.653 nan 8.210 nan 0.000 0.420 89 A N 5.294 128.031 122.820 -0.138 0.000 2.375 89 A HA 0.732 5.052 4.320 0.000 0.000 0.291 89 A C -1.221 176.295 177.584 -0.115 0.000 1.160 89 A CA -0.376 51.641 52.037 -0.034 0.000 0.747 89 A CB 0.491 19.490 19.000 -0.001 0.000 1.170 89 A HN 0.588 nan 8.150 nan 0.000 0.458 90 Y N 1.353 121.670 120.300 0.028 0.000 2.561 90 Y HA 0.701 5.251 4.550 0.000 0.000 0.422 90 Y C 1.034 176.966 175.900 0.052 0.000 1.402 90 Y CA 0.052 58.174 58.100 0.036 0.000 1.876 90 Y CB 0.597 39.075 38.460 0.031 0.000 1.768 90 Y HN 1.184 nan 8.280 nan 0.000 0.631 91 A N -0.342 122.629 122.820 0.251 0.000 2.449 91 A HA 0.388 4.708 4.320 0.000 0.000 0.304 91 A C -0.542 177.120 177.584 0.130 0.000 1.004 91 A CA -0.498 51.633 52.037 0.155 0.000 0.871 91 A CB -0.723 18.361 19.000 0.140 0.000 1.092 91 A HN 0.794 nan 8.150 nan 0.000 0.364 92 T N 0.857 115.462 114.554 0.085 0.000 2.919 92 T HA 0.709 5.059 4.350 0.000 0.000 0.302 92 T C 0.273 174.998 174.700 0.042 0.000 1.031 92 T CA 0.006 62.142 62.100 0.059 0.000 1.127 92 T CB 0.171 69.060 68.868 0.035 0.000 0.952 92 T HN 0.767 nan 8.240 nan 0.000 0.540 93 M N 1.639 121.259 119.600 0.034 0.000 2.569 93 M HA 0.349 4.829 4.480 0.000 0.000 0.279 93 M C -1.012 175.287 176.300 -0.001 0.000 1.253 93 M CA -1.018 54.285 55.300 0.004 0.000 0.867 93 M CB 2.281 34.878 32.600 -0.006 0.000 1.727 93 M HN 0.675 nan 8.290 nan 0.000 0.467 94 D N 0.893 121.282 120.400 -0.019 0.000 2.425 94 D HA 0.005 4.645 4.640 0.000 0.000 0.247 94 D C 0.670 176.965 176.300 -0.009 0.000 1.147 94 D CA 0.579 54.570 54.000 -0.015 0.000 0.879 94 D CB 0.862 41.648 40.800 -0.024 0.000 1.179 94 D HN 0.641 nan 8.370 nan 0.000 0.456 95 D N 2.761 123.162 120.400 0.000 0.000 2.292 95 D HA -0.253 4.387 4.640 0.000 0.000 0.205 95 D C 1.531 177.833 176.300 0.004 0.000 0.994 95 D CA 1.710 55.714 54.000 0.007 0.000 0.897 95 D CB 0.099 40.903 40.800 0.007 0.000 0.907 95 D HN 0.445 nan 8.370 nan 0.000 0.467 96 A N 0.339 123.155 122.820 -0.007 0.000 1.843 96 A HA -0.120 4.200 4.320 0.000 0.000 0.213 96 A C 2.172 179.745 177.584 -0.018 0.000 1.202 96 A CA 1.153 53.184 52.037 -0.011 0.000 0.607 96 A CB -0.296 18.693 19.000 -0.018 0.000 0.847 96 A HN 0.137 nan 8.150 nan 0.000 0.445 97 R N 0.394 120.867 120.500 -0.045 0.000 2.105 97 R HA -0.114 4.226 4.340 0.000 0.000 0.239 97 R C 2.272 178.550 176.300 -0.036 0.000 1.135 97 R CA 1.423 57.468 56.100 -0.092 0.000 0.967 97 R CB -1.530 28.667 30.300 -0.170 0.000 0.861 97 R HN 0.492 nan 8.270 nan 0.000 0.442 98 A N 2.458 125.282 122.820 0.006 0.000 1.884 98 A HA -0.258 4.062 4.320 0.000 0.000 0.219 98 A C 2.363 179.995 177.584 0.080 0.000 1.197 98 A CA 1.926 54.000 52.037 0.062 0.000 0.637 98 A CB -0.498 18.530 19.000 0.047 0.000 0.827 98 A HN 0.327 nan 8.150 nan 0.000 0.450 99 R N -0.328 120.202 120.500 0.050 0.000 2.103 99 R HA -0.090 4.250 4.340 0.000 0.000 0.234 99 R C 0.774 177.114 176.300 0.067 0.000 1.132 99 R CA 1.581 57.711 56.100 0.049 0.000 0.925 99 R CB -1.333 28.985 30.300 0.029 0.000 0.842 99 R HN 0.641 nan 8.270 nan 0.000 0.430 100 T N -1.579 113.014 114.554 0.066 0.000 2.781 100 T HA 0.444 4.794 4.350 0.000 0.000 0.305 100 T C -0.671 174.130 174.700 0.168 0.000 1.001 100 T CA -0.590 61.562 62.100 0.086 0.000 0.950 100 T CB 0.422 69.321 68.868 0.051 0.000 0.955 100 T HN 0.352 nan 8.240 nan 0.000 0.471 101 Y N 1.579 121.876 120.300 -0.006 0.000 2.424 101 Y HA 0.252 4.802 4.550 0.000 0.000 0.323 101 Y C -1.322 174.568 175.900 -0.016 0.000 1.174 101 Y CA -1.102 56.992 58.100 -0.010 0.000 1.060 101 Y CB 1.623 40.079 38.460 -0.008 0.000 1.314 101 Y HN 0.564 nan 8.280 nan 0.000 0.439 102 Q N 7.418 127.211 119.800 -0.012 0.000 2.398 102 Q HA 0.322 4.662 4.340 0.000 0.000 0.251 102 Q C -2.548 173.150 176.000 -0.503 0.000 0.999 102 Q CA -1.995 53.686 55.803 -0.204 0.000 0.874 102 Q CB 1.497 30.194 28.738 -0.069 0.000 1.215 102 Q HN 0.346 nan 8.270 nan 0.000 0.470 103 P HA 0.054 nan 4.420 nan 0.000 0.271 103 P C -0.628 176.484 177.300 -0.313 0.000 1.220 103 P CA -0.249 62.546 63.100 -0.509 0.000 0.768 103 P CB 0.584 32.062 31.700 -0.371 0.000 0.848 104 R N 3.914 124.255 120.500 -0.263 0.000 2.488 104 R HA 0.168 4.509 4.340 0.000 0.000 0.306 104 R C 0.044 176.225 176.300 -0.199 0.000 1.271 104 R CA 0.131 56.119 56.100 -0.187 0.000 1.022 104 R CB -0.671 29.556 30.300 -0.123 0.000 1.054 104 R HN 0.544 nan 8.270 nan 0.000 0.500 105 I N 2.826 123.247 120.570 -0.248 0.000 2.353 105 I HA 0.177 4.347 4.170 0.000 0.000 0.293 105 I C 0.129 175.999 176.117 -0.413 0.000 0.992 105 I CA -0.759 60.362 61.300 -0.297 0.000 1.268 105 I CB 1.824 39.623 38.000 -0.333 0.000 1.387 105 I HN 0.025 nan 8.210 nan 0.000 0.478 106 V N 7.322 127.060 119.914 -0.293 0.000 2.326 106 V HA 0.357 4.477 4.120 0.000 0.000 0.281 106 V C -0.113 175.913 176.094 -0.113 0.000 1.015 106 V CA -0.536 61.610 62.300 -0.256 0.000 0.823 106 V CB 0.775 32.534 31.823 -0.106 0.000 1.009 106 V HN 0.418 nan 8.190 nan 0.000 0.436 107 F N 3.550 123.530 119.950 0.052 0.000 2.410 107 F HA 0.608 5.135 4.527 0.000 0.000 0.334 107 F C 0.425 176.249 175.800 0.040 0.000 1.134 107 F CA -0.482 57.571 58.000 0.088 0.000 1.227 107 F CB 1.404 40.449 39.000 0.074 0.000 1.194 107 F HN 0.283 nan 8.300 nan 0.000 0.571 108 V N 1.344 121.385 119.914 0.212 0.000 3.130 108 V HA 0.247 4.367 4.120 0.000 0.000 0.310 108 V C -0.904 175.221 176.094 0.051 0.000 1.158 108 V CA -0.716 61.643 62.300 0.099 0.000 1.029 108 V CB 2.234 34.093 31.823 0.060 0.000 1.057 108 V HN 0.772 nan 8.190 nan 0.000 0.436 109 D N 1.944 122.362 120.400 0.031 0.000 2.344 109 D HA 0.321 4.961 4.640 0.000 0.000 0.244 109 D C 0.900 177.175 176.300 -0.042 0.000 1.134 109 D CA 0.389 54.378 54.000 -0.018 0.000 0.930 109 D CB 2.228 43.028 40.800 -0.001 0.000 1.175 109 D HN 0.703 nan 8.370 nan 0.000 0.437 110 A N 2.844 125.570 122.820 -0.157 0.000 2.225 110 A HA -0.164 4.156 4.320 0.000 0.000 0.215 110 A C 1.204 178.815 177.584 0.046 0.000 1.164 110 A CA 1.036 52.984 52.037 -0.149 0.000 0.710 110 A CB -0.517 18.297 19.000 -0.310 0.000 0.780 110 A HN 0.695 nan 8.150 nan 0.000 0.473 111 Y N -1.129 119.172 120.300 0.002 0.000 2.557 111 Y HA 0.135 4.685 4.550 0.000 0.000 0.247 111 Y C -0.054 175.849 175.900 0.004 0.000 1.164 111 Y CA -0.702 57.399 58.100 0.002 0.000 1.218 111 Y CB 0.489 38.951 38.460 0.003 0.000 1.210 111 Y HN 0.274 nan 8.280 nan 0.000 0.529 112 N N 2.117 120.901 118.700 0.140 0.000 2.469 112 N HA -0.163 4.578 4.740 0.000 0.000 0.283 112 N C -0.271 175.286 175.510 0.077 0.000 1.326 112 N CA 0.856 53.955 53.050 0.083 0.000 0.646 112 N CB -0.724 37.803 38.487 0.067 0.000 0.894 112 N HN 0.574 nan 8.380 nan 0.000 0.533 113 K N -0.545 119.893 120.400 0.064 0.000 3.010 113 K HA 0.405 4.725 4.320 0.000 0.000 0.205 113 K C -2.076 174.550 176.600 0.043 0.000 1.704 113 K CA 0.969 57.289 56.287 0.055 0.000 1.297 113 K CB 0.987 33.527 32.500 0.067 0.000 2.032 113 K HN 0.493 nan 8.250 nan 0.000 0.573 114 P HA 0.000 nan 4.420 nan 0.000 0.216 114 P CA 0.000 nan 63.100 nan 0.000 0.800 114 P CB 0.000 nan 31.700 nan 0.000 0.726