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 2q3q_1_A DATA FIRST_RESID 1 DATA SEQUENCE STLKGALSVK FDVKCPADKF FSAFVEDTNR PFEKNGKTEI EAVDLVKKTX DATA SEQUENCE TIQXSGSEIQ KYFKTLKGSI AVTPIGVGDG SHVVWTFHFE KVHKDIDDPH DATA SEQUENCE SIIDESVKYF KKLDEAILNF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.629 174.600 0.048 0.000 1.055 1 S CA 0.000 58.219 58.200 0.032 0.000 1.107 1 S CB 0.000 63.214 63.200 0.023 0.000 0.593 2 T N 2.968 117.557 114.554 0.059 0.000 3.227 2 T HA 0.189 4.554 4.350 0.025 0.000 0.257 2 T C 1.322 176.087 174.700 0.109 0.000 1.162 2 T CA 0.614 62.761 62.100 0.078 0.000 1.051 2 T CB -0.469 68.441 68.868 0.071 0.000 0.953 2 T HN 0.596 nan 8.240 nan 0.000 0.535 3 L N -1.288 120.000 121.223 0.109 0.000 2.577 3 L HA 0.390 4.745 4.340 0.025 0.000 0.225 3 L C 1.290 178.284 176.870 0.206 0.000 1.053 3 L CA -0.102 54.831 54.840 0.154 0.000 0.866 3 L CB 0.037 42.168 42.059 0.120 0.000 1.132 3 L HN 0.071 nan 8.230 nan 0.000 0.486 4 K N 0.555 121.008 120.400 0.088 0.000 2.120 4 K HA 0.552 4.887 4.320 0.025 0.000 0.245 4 K C 0.074 176.543 176.600 -0.218 0.000 1.024 4 K CA 0.268 56.523 56.287 -0.052 0.000 0.906 4 K CB 1.060 33.517 32.500 -0.071 0.000 1.051 4 K HN 0.114 nan 8.250 nan 0.000 0.491 5 G N -0.997 107.385 108.800 -0.696 0.000 2.343 5 G HA2 0.456 4.431 3.960 0.025 0.000 0.289 5 G HA3 0.456 4.431 3.960 0.025 0.000 0.289 5 G C -2.020 172.068 174.900 -1.352 0.000 1.295 5 G CA -0.293 44.310 45.100 -0.828 0.000 0.869 5 G HN 0.739 nan 8.290 nan 0.000 0.522 6 A N -1.510 120.904 122.820 -0.676 0.000 2.586 6 A HA 0.928 5.262 4.320 0.025 0.000 0.290 6 A C -2.197 175.411 177.584 0.040 0.000 1.086 6 A CA -0.314 51.524 52.037 -0.332 0.000 0.665 6 A CB 1.844 20.632 19.000 -0.353 0.000 1.279 6 A HN 2.258 nan 8.150 nan 0.000 0.423 7 L N 0.454 121.697 121.223 0.034 0.000 2.476 7 L HA 0.796 5.151 4.340 0.025 0.000 0.269 7 L C -0.629 176.198 176.870 -0.071 0.000 0.965 7 L CA 0.133 54.985 54.840 0.020 0.000 0.845 7 L CB 1.967 44.049 42.059 0.038 0.000 1.259 7 L HN 0.848 nan 8.230 nan 0.000 0.403 8 S N 3.675 119.340 115.700 -0.058 0.000 2.561 8 S HA 0.792 5.277 4.470 0.025 0.000 0.303 8 S C -1.484 173.128 174.600 0.020 0.000 1.110 8 S CA -0.460 57.696 58.200 -0.075 0.000 1.034 8 S CB 1.519 64.648 63.200 -0.118 0.000 1.010 8 S HN 0.657 nan 8.310 nan 0.000 0.482 9 V N 5.395 125.363 119.914 0.091 0.000 2.581 9 V HA 0.707 4.842 4.120 0.025 0.000 0.303 9 V C -0.699 175.477 176.094 0.136 0.000 1.041 9 V CA -0.655 61.746 62.300 0.168 0.000 0.907 9 V CB 1.692 33.689 31.823 0.289 0.000 0.994 9 V HN 0.911 nan 8.190 nan 0.000 0.442 10 K N 6.282 126.736 120.400 0.090 0.000 2.376 10 K HA 0.687 5.022 4.320 0.025 0.000 0.257 10 K C -1.447 175.184 176.600 0.053 0.000 0.939 10 K CA -0.511 55.737 56.287 -0.064 0.000 0.809 10 K CB 1.475 33.911 32.500 -0.107 0.000 1.121 10 K HN 0.663 nan 8.250 nan 0.000 0.425 11 F N -0.323 119.615 119.950 -0.020 0.000 2.754 11 F HA 0.564 5.105 4.527 0.023 0.000 0.320 11 F C -1.347 174.442 175.800 -0.019 0.000 1.156 11 F CA -1.233 56.760 58.000 -0.012 0.000 0.950 11 F CB 0.911 39.906 39.000 -0.010 0.000 1.388 11 F HN 0.233 nan 8.300 nan 0.000 0.485 12 D N 1.019 121.575 120.400 0.260 0.000 2.252 12 D HA 0.602 5.257 4.640 0.025 0.000 0.245 12 D C -0.865 175.477 176.300 0.071 0.000 1.009 12 D CA -0.248 53.796 54.000 0.072 0.000 0.870 12 D CB 2.317 43.142 40.800 0.041 0.000 1.251 12 D HN 0.691 nan 8.370 nan 0.000 0.460 13 V N -1.012 118.819 119.914 -0.138 0.000 2.735 13 V HA 0.435 4.570 4.120 0.025 0.000 0.310 13 V C 1.019 177.011 176.094 -0.170 0.000 1.061 13 V CA -0.841 61.335 62.300 -0.207 0.000 0.913 13 V CB 2.134 33.573 31.823 -0.640 0.000 1.005 13 V HN 0.396 nan 8.190 nan 0.000 0.428 14 K N 1.270 121.617 120.400 -0.088 0.000 2.026 14 K HA 0.018 4.353 4.320 0.025 0.000 0.208 14 K C 0.724 177.293 176.600 -0.052 0.000 1.048 14 K CA 1.486 57.741 56.287 -0.054 0.000 0.929 14 K CB -0.195 32.297 32.500 -0.013 0.000 0.713 14 K HN 0.781 nan 8.250 nan 0.000 0.439 15 C N 2.072 121.356 119.300 -0.028 0.000 2.534 15 C HA 0.282 4.757 4.460 0.025 0.000 0.385 15 C C -2.174 172.812 174.990 -0.006 0.000 1.264 15 C CA -1.943 57.083 59.018 0.014 0.000 2.342 15 C CB 0.425 28.224 27.740 0.097 0.000 2.564 15 C HN 0.231 nan 8.230 nan 0.000 0.603 16 P HA 0.062 nan 4.420 nan 0.000 0.265 16 P C 0.254 177.601 177.300 0.078 0.000 1.187 16 P CA 0.519 63.631 63.100 0.021 0.000 0.766 16 P CB 0.410 32.130 31.700 0.034 0.000 0.820 17 A N 3.457 126.308 122.820 0.050 0.000 1.972 17 A HA -0.209 4.126 4.320 0.025 0.000 0.219 17 A C 1.676 179.393 177.584 0.223 0.000 1.169 17 A CA 1.699 53.810 52.037 0.125 0.000 0.635 17 A CB -1.034 17.988 19.000 0.036 0.000 0.810 17 A HN 0.558 nan 8.150 nan 0.000 0.446 18 D N -0.446 120.045 120.400 0.152 0.000 2.149 18 D HA -0.181 4.474 4.640 0.025 0.000 0.198 18 D C 1.863 178.289 176.300 0.208 0.000 0.990 18 D CA 1.681 55.778 54.000 0.162 0.000 0.839 18 D CB -0.129 40.730 40.800 0.098 0.000 0.948 18 D HN 0.635 nan 8.370 nan 0.000 0.460 19 K N -0.334 120.185 120.400 0.198 0.000 2.262 19 K HA -0.054 4.281 4.320 0.025 0.000 0.200 19 K C 2.011 178.747 176.600 0.228 0.000 1.049 19 K CA -0.057 56.340 56.287 0.183 0.000 0.979 19 K CB 0.021 32.609 32.500 0.147 0.000 0.773 19 K HN -0.071 nan 8.250 nan 0.000 0.474 20 F N 1.002 121.038 119.950 0.144 0.000 2.075 20 F HA -0.159 4.384 4.527 0.025 0.000 0.297 20 F C 1.840 177.788 175.800 0.246 0.000 1.113 20 F CA 1.539 59.635 58.000 0.159 0.000 1.218 20 F CB -0.488 38.578 39.000 0.109 0.000 0.984 20 F HN 0.040 nan 8.300 nan 0.000 0.472 21 F N 0.466 120.559 119.950 0.238 0.000 2.069 21 F HA -0.231 4.309 4.527 0.021 0.000 0.298 21 F C 2.563 178.460 175.800 0.162 0.000 1.113 21 F CA 2.153 60.282 58.000 0.215 0.000 1.214 21 F CB -0.794 38.335 39.000 0.214 0.000 0.978 21 F HN -0.086 nan 8.300 nan 0.000 0.474 22 S N 0.574 116.371 115.700 0.162 0.000 2.370 22 S HA -0.245 4.240 4.470 0.025 0.000 0.226 22 S C 2.236 176.801 174.600 -0.058 0.000 1.033 22 S CA 1.168 59.378 58.200 0.017 0.000 1.011 22 S CB -0.932 62.338 63.200 0.118 0.000 0.852 22 S HN 0.565 nan 8.310 nan 0.000 0.457 23 A N 0.845 123.658 122.820 -0.012 0.000 1.933 23 A HA -0.050 4.285 4.320 0.025 0.000 0.218 23 A C 1.901 179.465 177.584 -0.034 0.000 1.175 23 A CA 1.369 53.391 52.037 -0.024 0.000 0.628 23 A CB -0.742 18.250 19.000 -0.013 0.000 0.814 23 A HN 0.505 nan 8.150 nan 0.000 0.444 24 F N 0.837 120.648 119.950 -0.232 0.000 2.113 24 F HA -0.097 4.445 4.527 0.024 0.000 0.297 24 F C 2.167 177.888 175.800 -0.133 0.000 1.103 24 F CA 1.666 59.579 58.000 -0.146 0.000 1.248 24 F CB -0.546 38.371 39.000 -0.138 0.000 0.999 24 F HN 0.009 nan 8.300 nan 0.000 0.475 25 V N 0.517 120.133 119.914 -0.496 0.000 2.392 25 V HA -0.292 3.843 4.120 0.025 0.000 0.249 25 V C 2.393 178.271 176.094 -0.359 0.000 1.059 25 V CA 2.218 64.177 62.300 -0.568 0.000 1.051 25 V CB -0.803 30.687 31.823 -0.555 0.000 0.658 25 V HN 0.328 nan 8.190 nan 0.000 0.455 26 E N 0.655 120.716 120.200 -0.231 0.000 2.072 26 E HA -0.227 4.138 4.350 0.025 0.000 0.191 26 E C 1.798 178.304 176.600 -0.156 0.000 0.985 26 E CA 1.502 57.812 56.400 -0.150 0.000 0.801 26 E CB -0.407 29.244 29.700 -0.083 0.000 0.750 26 E HN 0.621 nan 8.360 nan 0.000 0.452 27 D N -1.208 119.103 120.400 -0.147 0.000 2.310 27 D HA -0.094 4.561 4.640 0.025 0.000 0.212 27 D C 1.418 177.577 176.300 -0.235 0.000 0.965 27 D CA 1.535 55.466 54.000 -0.115 0.000 0.879 27 D CB -0.114 40.718 40.800 0.054 0.000 0.921 27 D HN 0.344 nan 8.370 nan 0.000 0.510 28 T N -2.861 111.495 114.554 -0.331 0.000 3.113 28 T HA -0.045 4.320 4.350 0.025 0.000 0.263 28 T C 1.593 176.133 174.700 -0.267 0.000 1.143 28 T CA 0.261 62.160 62.100 -0.336 0.000 1.090 28 T CB -0.193 68.469 68.868 -0.343 0.000 0.922 28 T HN 0.043 nan 8.240 nan 0.000 0.521 29 N N 1.412 119.981 118.700 -0.218 0.000 2.381 29 N HA 0.009 4.764 4.740 0.025 0.000 0.182 29 N C 0.627 176.024 175.510 -0.189 0.000 1.025 29 N CA 0.544 53.497 53.050 -0.163 0.000 0.888 29 N CB -0.049 38.366 38.487 -0.121 0.000 0.965 29 N HN 0.542 nan 8.380 nan 0.000 0.438 30 R N 1.460 121.801 120.500 -0.265 0.000 2.221 30 R HA 0.286 4.641 4.340 0.025 0.000 0.327 30 R C -2.209 173.818 176.300 -0.455 0.000 1.033 30 R CA -1.492 54.434 56.100 -0.290 0.000 0.887 30 R CB 0.799 30.937 30.300 -0.271 0.000 1.057 30 R HN 0.009 nan 8.270 nan 0.000 0.455 31 P HA -0.059 nan 4.420 nan 0.000 0.270 31 P C -0.305 176.754 177.300 -0.402 0.000 1.227 31 P CA 0.160 63.095 63.100 -0.276 0.000 0.788 31 P CB 0.403 32.038 31.700 -0.109 0.000 0.926 32 F N -0.000 119.926 119.950 -0.040 0.000 2.668 32 F HA 0.212 4.750 4.527 0.018 0.000 0.297 32 F C 1.017 176.799 175.800 -0.031 0.000 1.124 32 F CA 0.198 58.164 58.000 -0.057 0.000 1.353 32 F CB -0.053 38.903 39.000 -0.073 0.000 0.992 32 F HN 0.316 nan 8.300 nan 0.000 0.524 33 E N -2.407 117.849 120.200 0.093 0.000 2.411 33 E HA 0.124 4.489 4.350 0.025 0.000 0.279 33 E C 0.218 176.837 176.600 0.031 0.000 1.132 33 E CA -0.849 55.592 56.400 0.067 0.000 0.876 33 E CB 0.671 30.422 29.700 0.084 0.000 1.335 33 E HN -0.092 nan 8.360 nan 0.000 0.436 34 K N 0.688 121.103 120.400 0.026 0.000 2.000 34 K HA -0.179 4.156 4.320 0.025 0.000 0.218 34 K C 0.463 177.070 176.600 0.013 0.000 1.053 34 K CA 2.342 58.637 56.287 0.013 0.000 0.946 34 K CB -0.375 32.134 32.500 0.015 0.000 0.723 34 K HN 0.491 nan 8.250 nan 0.000 0.446 35 N N 0.939 119.653 118.700 0.023 0.000 2.389 35 N HA 0.103 4.858 4.740 0.025 0.000 0.237 35 N C -0.396 175.134 175.510 0.034 0.000 1.148 35 N CA 0.384 53.448 53.050 0.024 0.000 0.854 35 N CB 0.608 39.110 38.487 0.026 0.000 1.115 35 N HN 0.322 nan 8.380 nan 0.000 0.492 36 G N 0.463 109.284 108.800 0.034 0.000 2.398 36 G HA2 0.154 4.129 3.960 0.025 0.000 0.246 36 G HA3 0.154 4.129 3.960 0.025 0.000 0.246 36 G C -0.145 174.779 174.900 0.040 0.000 1.289 36 G CA -0.180 44.952 45.100 0.053 0.000 0.869 36 G HN 0.123 nan 8.290 nan 0.000 0.543 37 K N 1.409 121.848 120.400 0.065 0.000 2.578 37 K HA 0.447 4.782 4.320 0.025 0.000 0.250 37 K C -0.693 175.957 176.600 0.083 0.000 0.955 37 K CA -0.503 55.817 56.287 0.054 0.000 0.825 37 K CB 1.548 34.078 32.500 0.049 0.000 1.151 37 K HN 0.481 nan 8.250 nan 0.000 0.432 38 T N 2.305 116.899 114.554 0.067 0.000 2.940 38 T HA 0.409 4.774 4.350 0.025 0.000 0.288 38 T C -1.379 173.359 174.700 0.064 0.000 1.033 38 T CA -0.558 61.600 62.100 0.097 0.000 1.033 38 T CB 1.521 70.442 68.868 0.089 0.000 1.079 38 T HN 0.645 nan 8.240 nan 0.000 0.496 39 E N 1.114 121.361 120.200 0.078 0.000 2.343 39 E HA 0.319 4.684 4.350 0.025 0.000 0.286 39 E C -1.417 175.222 176.600 0.066 0.000 0.915 39 E CA -0.422 56.012 56.400 0.056 0.000 0.784 39 E CB 0.811 30.543 29.700 0.053 0.000 1.251 39 E HN 0.521 nan 8.360 nan 0.000 0.407 40 I N 5.220 125.819 120.570 0.048 0.000 2.406 40 I HA 0.085 4.270 4.170 0.025 0.000 0.293 40 I C 0.920 177.071 176.117 0.057 0.000 1.101 40 I CA 0.010 61.344 61.300 0.057 0.000 1.334 40 I CB 0.712 38.736 38.000 0.040 0.000 1.421 40 I HN 0.613 nan 8.210 nan 0.000 0.513 41 E N 4.962 125.202 120.200 0.066 0.000 2.276 41 E HA 0.221 4.586 4.350 0.025 0.000 0.193 41 E C 0.332 176.962 176.600 0.049 0.000 0.983 41 E CA 0.255 56.684 56.400 0.050 0.000 0.861 41 E CB 0.732 30.458 29.700 0.043 0.000 0.817 41 E HN 0.711 nan 8.360 nan 0.000 0.485 42 A N 0.282 123.145 122.820 0.071 0.000 2.566 42 A HA 0.588 4.923 4.320 0.025 0.000 0.297 42 A C -1.413 176.245 177.584 0.122 0.000 1.059 42 A CA -0.481 51.602 52.037 0.076 0.000 0.691 42 A CB 1.967 21.000 19.000 0.055 0.000 1.282 42 A HN -0.049 nan 8.150 nan 0.000 0.401 43 V N 1.364 121.353 119.914 0.126 0.000 3.077 43 V HA 0.733 4.868 4.120 0.025 0.000 0.299 43 V C -2.280 173.908 176.094 0.156 0.000 1.276 43 V CA -0.422 61.996 62.300 0.197 0.000 0.993 43 V CB 2.207 34.156 31.823 0.209 0.000 1.076 43 V HN 1.041 nan 8.190 nan 0.000 0.434 44 D N 4.725 125.225 120.400 0.166 0.000 2.479 44 D HA 0.297 4.952 4.640 0.025 0.000 0.246 44 D C -0.054 176.251 176.300 0.008 0.000 1.336 44 D CA -0.303 53.732 54.000 0.057 0.000 0.967 44 D CB 1.889 42.681 40.800 -0.014 0.000 1.275 44 D HN 0.397 nan 8.370 nan 0.000 0.577 45 L N 3.353 124.644 121.223 0.114 0.000 2.675 45 L HA 0.092 4.447 4.340 0.025 0.000 0.239 45 L C 1.667 178.551 176.870 0.023 0.000 1.151 45 L CA 0.431 55.365 54.840 0.156 0.000 0.905 45 L CB 0.022 42.209 42.059 0.213 0.000 1.057 45 L HN 0.330 nan 8.230 nan 0.000 0.435 46 V N -1.338 118.547 119.914 -0.048 0.000 2.721 46 V HA -0.021 4.114 4.120 0.025 0.000 0.236 46 V C 1.947 177.975 176.094 -0.111 0.000 1.116 46 V CA 0.726 62.996 62.300 -0.050 0.000 1.148 46 V CB 0.045 31.851 31.823 -0.028 0.000 0.886 46 V HN 0.310 nan 8.190 nan 0.000 0.490 47 K N 0.129 120.442 120.400 -0.145 0.000 2.432 47 K HA 0.036 4.371 4.320 0.025 0.000 0.196 47 K C -0.071 176.341 176.600 -0.313 0.000 1.038 47 K CA 0.109 56.295 56.287 -0.168 0.000 0.986 47 K CB 0.064 32.492 32.500 -0.119 0.000 0.782 47 K HN 0.220 nan 8.250 nan 0.000 0.485 48 K N 1.147 121.185 120.400 -0.605 0.000 3.353 48 K HA -0.139 4.196 4.320 0.025 0.000 0.272 48 K C -0.548 175.434 176.600 -1.030 0.000 1.071 48 K CA 0.958 56.390 56.287 -1.424 0.000 0.789 48 K CB -2.230 29.842 32.500 -0.714 0.000 1.325 48 K HN 0.545 nan 8.250 nan 0.000 0.464 52 I N 0.340 121.025 120.570 0.192 0.000 2.689 52 I HA 0.748 4.933 4.170 0.025 0.000 0.299 52 I C -0.273 175.952 176.117 0.180 0.000 1.059 52 I CA -1.016 60.400 61.300 0.193 0.000 1.055 52 I CB 2.186 40.345 38.000 0.265 0.000 1.243 52 I HN 0.589 nan 8.210 nan 0.000 0.425 56 G N 0.011 108.863 108.800 0.086 0.000 2.402 56 G HA2 0.500 4.475 3.960 0.025 0.000 0.301 56 G HA3 0.500 4.475 3.960 0.025 0.000 0.301 56 G C 0.328 175.268 174.900 0.067 0.000 1.615 56 G CA 0.250 45.393 45.100 0.072 0.000 0.889 56 G HN 1.793 nan 8.290 nan 0.000 0.647 57 S N -0.348 115.382 115.700 0.049 0.000 2.462 57 S HA -0.123 4.362 4.470 0.025 0.000 0.243 57 S C 1.419 176.047 174.600 0.047 0.000 1.003 57 S CA 2.050 60.273 58.200 0.038 0.000 0.970 57 S CB -0.060 63.155 63.200 0.025 0.000 0.762 57 S HN 0.572 nan 8.310 nan 0.000 0.510 58 E N 1.230 121.472 120.200 0.071 0.000 2.052 58 E HA 0.192 4.557 4.350 0.025 0.000 0.192 58 E C 1.948 178.647 176.600 0.166 0.000 0.958 58 E CA 0.367 56.828 56.400 0.101 0.000 0.835 58 E CB -0.887 28.868 29.700 0.091 0.000 0.811 58 E HN 0.520 nan 8.360 nan 0.000 0.462 59 I N 1.796 122.455 120.570 0.149 0.000 2.800 59 I HA -0.222 3.962 4.170 0.025 0.000 0.266 59 I C 1.864 178.122 176.117 0.234 0.000 1.249 59 I CA 1.196 62.609 61.300 0.188 0.000 1.458 59 I CB -0.155 37.917 38.000 0.119 0.000 1.093 59 I HN -0.013 nan 8.210 nan 0.000 0.466 60 Q N 0.230 120.119 119.800 0.148 0.000 2.444 60 Q HA -0.004 4.351 4.340 0.025 0.000 0.206 60 Q C 1.711 177.714 176.000 0.004 0.000 0.948 60 Q CA 0.744 56.603 55.803 0.093 0.000 0.946 60 Q CB -0.068 28.707 28.738 0.062 0.000 1.027 60 Q HN 0.438 nan 8.270 nan 0.000 0.513 61 K N -1.231 119.154 120.400 -0.025 0.000 2.486 61 K HA -0.048 4.287 4.320 0.025 0.000 0.194 61 K C 0.239 176.423 176.600 -0.694 0.000 1.033 61 K CA 0.742 56.816 56.287 -0.355 0.000 1.004 61 K CB 0.369 32.565 32.500 -0.507 0.000 0.798 61 K HN 0.297 nan 8.250 nan 0.000 0.495 62 Y N -1.836 118.281 120.300 -0.306 0.000 2.640 62 Y HA 0.243 4.806 4.550 0.021 0.000 0.274 62 Y C 0.167 175.517 175.900 -0.917 0.000 1.164 62 Y CA -0.734 56.952 58.100 -0.689 0.000 1.189 62 Y CB 0.635 38.514 38.460 -0.970 0.000 1.333 62 Y HN -0.198 nan 8.280 nan 0.000 0.494 63 F N 2.513 122.514 119.950 0.085 0.000 2.445 63 F HA 0.355 4.894 4.527 0.021 0.000 0.348 63 F C 0.967 176.796 175.800 0.049 0.000 1.125 63 F CA -1.300 56.724 58.000 0.040 0.000 0.983 63 F CB 1.377 40.381 39.000 0.008 0.000 1.198 63 F HN -0.105 nan 8.300 nan 0.000 0.436 64 K N -0.438 120.070 120.400 0.181 0.000 2.366 64 K HA 0.121 4.456 4.320 0.025 0.000 0.198 64 K C -0.279 176.410 176.600 0.149 0.000 1.044 64 K CA 0.794 57.157 56.287 0.127 0.000 0.973 64 K CB -0.022 32.530 32.500 0.086 0.000 0.767 64 K HN 0.493 nan 8.250 nan 0.000 0.475 65 T N 1.577 116.254 114.554 0.206 0.000 2.949 65 T HA 0.471 4.836 4.350 0.025 0.000 0.300 65 T C -1.700 173.122 174.700 0.202 0.000 0.988 65 T CA -0.777 61.426 62.100 0.171 0.000 0.993 65 T CB 1.596 70.546 68.868 0.136 0.000 0.984 65 T HN 0.115 nan 8.240 nan 0.000 0.442 66 L N 3.172 124.485 121.223 0.151 0.000 2.516 66 L HA 0.634 4.989 4.340 0.025 0.000 0.267 66 L C -1.368 175.588 176.870 0.142 0.000 0.957 66 L CA -0.370 54.533 54.840 0.104 0.000 0.860 66 L CB 1.552 43.612 42.059 0.001 0.000 1.265 66 L HN 0.497 nan 8.230 nan 0.000 0.403 67 K N 3.080 123.583 120.400 0.172 0.000 2.375 67 K HA 0.869 5.204 4.320 0.025 0.000 0.249 67 K C -0.636 176.060 176.600 0.159 0.000 0.942 67 K CA -0.926 55.466 56.287 0.175 0.000 0.806 67 K CB 2.335 34.917 32.500 0.136 0.000 1.227 67 K HN 0.749 nan 8.250 nan 0.000 0.430 68 G N 0.514 109.355 108.800 0.067 0.000 2.557 68 G HA2 0.405 4.380 3.960 0.025 0.000 0.310 68 G HA3 0.405 4.380 3.960 0.025 0.000 0.310 68 G C -0.967 173.592 174.900 -0.568 0.000 1.328 68 G CA -0.359 44.403 45.100 -0.563 0.000 0.945 68 G HN 0.359 nan 8.290 nan 0.000 0.494 69 S N 1.621 116.847 115.700 -0.791 0.000 2.498 69 S HA 0.507 4.991 4.470 0.025 0.000 0.317 69 S C -0.322 174.204 174.600 -0.123 0.000 1.090 69 S CA -0.441 57.628 58.200 -0.218 0.000 1.089 69 S CB 1.309 64.510 63.200 0.001 0.000 0.997 69 S HN 0.631 nan 8.310 nan 0.000 0.470 70 I N 2.729 123.501 120.570 0.337 0.000 2.607 70 I HA 0.807 4.992 4.170 0.025 0.000 0.305 70 I C -0.709 175.569 176.117 0.269 0.000 0.995 70 I CA -0.658 60.916 61.300 0.456 0.000 1.148 70 I CB 1.370 39.779 38.000 0.681 0.000 1.323 70 I HN 0.686 nan 8.210 nan 0.000 0.461 71 A N 6.723 129.627 122.820 0.140 0.000 2.497 71 A HA 0.608 4.943 4.320 0.025 0.000 0.280 71 A C -1.534 176.043 177.584 -0.012 0.000 1.065 71 A CA -0.417 51.647 52.037 0.044 0.000 0.781 71 A CB 0.947 19.943 19.000 -0.008 0.000 1.289 71 A HN 0.394 nan 8.150 nan 0.000 0.415 72 V N 1.877 121.793 119.914 0.003 0.000 2.630 72 V HA 0.863 4.998 4.120 0.025 0.000 0.305 72 V C 0.373 176.437 176.094 -0.049 0.000 1.046 72 V CA -0.033 62.256 62.300 -0.019 0.000 0.934 72 V CB 1.864 33.762 31.823 0.125 0.000 1.003 72 V HN 1.145 nan 8.190 nan 0.000 0.451 73 T N 2.027 116.547 114.554 -0.057 0.000 3.031 73 T HA 0.508 4.873 4.350 0.025 0.000 0.305 73 T C -3.061 171.580 174.700 -0.098 0.000 0.985 73 T CA -2.090 59.987 62.100 -0.038 0.000 1.008 73 T CB 1.900 70.790 68.868 0.038 0.000 1.005 73 T HN 0.375 nan 8.240 nan 0.000 0.444 74 P HA 0.213 nan 4.420 nan 0.000 0.265 74 P C 0.542 177.728 177.300 -0.189 0.000 1.187 74 P CA -0.260 62.764 63.100 -0.127 0.000 0.766 74 P CB 0.624 32.281 31.700 -0.072 0.000 0.820 75 I N 1.260 121.675 120.570 -0.259 0.000 2.558 75 I HA 0.064 4.249 4.170 0.025 0.000 0.229 75 I C 1.692 177.723 176.117 -0.143 0.000 1.060 75 I CA 1.369 62.491 61.300 -0.297 0.000 1.396 75 I CB -0.739 37.063 38.000 -0.330 0.000 1.207 75 I HN 0.442 nan 8.210 nan 0.000 0.423 76 G N -0.125 108.608 108.800 -0.111 0.000 3.099 76 G HA2 0.447 4.422 3.960 0.025 0.000 0.151 76 G HA3 0.447 4.422 3.960 0.025 0.000 0.151 76 G C -0.961 173.907 174.900 -0.053 0.000 1.265 76 G CA -0.172 44.888 45.100 -0.067 0.000 0.981 76 G HN -0.014 nan 8.290 nan 0.000 0.601 77 V N 1.331 121.222 119.914 -0.038 0.000 2.288 77 V HA 0.531 4.666 4.120 0.025 0.000 0.266 77 V C 0.978 177.056 176.094 -0.026 0.000 1.048 77 V CA 0.518 62.802 62.300 -0.028 0.000 0.842 77 V CB 0.063 31.874 31.823 -0.020 0.000 1.064 77 V HN 1.630 nan 8.190 nan 0.000 0.472 78 G N 3.895 112.679 108.800 -0.026 0.000 2.314 78 G HA2 -0.185 3.790 3.960 0.025 0.000 0.292 78 G HA3 -0.185 3.790 3.960 0.025 0.000 0.292 78 G C 0.052 174.936 174.900 -0.028 0.000 1.059 78 G CA 0.369 45.457 45.100 -0.020 0.000 0.982 78 G HN 0.754 nan 8.290 nan 0.000 0.505 79 D N -0.304 120.069 120.400 -0.045 0.000 2.562 79 D HA 0.433 5.088 4.640 0.025 0.000 0.246 79 D C 1.215 177.469 176.300 -0.078 0.000 1.347 79 D CA 0.838 54.806 54.000 -0.052 0.000 0.800 79 D CB 0.782 41.551 40.800 -0.053 0.000 1.111 79 D HN 1.568 nan 8.370 nan 0.000 0.508 80 G N 1.379 110.124 108.800 -0.091 0.000 2.498 80 G HA2 0.125 4.100 3.960 0.025 0.000 0.651 80 G HA3 0.125 4.100 3.960 0.025 0.000 0.651 80 G C -0.653 174.128 174.900 -0.200 0.000 1.284 80 G CA -0.288 44.732 45.100 -0.133 0.000 0.950 80 G HN 0.519 nan 8.290 nan 0.000 0.511 81 S N -1.309 114.228 115.700 -0.272 0.000 2.587 81 S HA 0.718 5.203 4.470 0.025 0.000 0.269 81 S C -0.863 173.505 174.600 -0.388 0.000 1.154 81 S CA -0.892 57.096 58.200 -0.354 0.000 0.824 81 S CB 1.617 64.666 63.200 -0.253 0.000 1.118 81 S HN 1.137 nan 8.310 nan 0.000 0.462 82 H N -0.376 118.556 119.070 -0.229 0.000 2.546 82 H HA 0.718 5.288 4.556 0.024 0.000 0.365 82 H C -0.640 174.430 175.328 -0.431 0.000 1.220 82 H CA -0.558 55.314 56.048 -0.294 0.000 1.386 82 H CB 1.295 30.927 29.762 -0.216 0.000 1.510 82 H HN 0.494 nan 8.280 nan 0.000 0.591 83 V N 2.839 122.436 119.914 -0.528 0.000 2.637 83 V HA 0.046 4.181 4.120 0.025 0.000 0.274 83 V C -0.271 175.281 176.094 -0.903 0.000 1.004 83 V CA -0.592 61.253 62.300 -0.758 0.000 0.894 83 V CB 1.479 32.647 31.823 -1.091 0.000 1.046 83 V HN 0.406 nan 8.190 nan 0.000 0.467 84 V N 4.320 123.984 119.914 -0.417 0.000 2.607 84 V HA 0.498 4.633 4.120 0.025 0.000 0.289 84 V C -0.296 175.771 176.094 -0.045 0.000 1.053 84 V CA -0.251 61.904 62.300 -0.240 0.000 0.996 84 V CB 1.847 33.582 31.823 -0.147 0.000 0.995 84 V HN 0.861 nan 8.190 nan 0.000 0.476 85 W N 3.402 124.599 121.300 -0.171 0.000 2.936 85 W HA 0.650 5.325 4.660 0.025 0.000 0.338 85 W C -1.199 175.205 176.519 -0.191 0.000 1.121 85 W CA -0.475 56.792 57.345 -0.129 0.000 1.209 85 W CB 2.437 31.909 29.460 0.019 0.000 1.420 85 W HN 0.563 nan 8.180 nan 0.000 0.516 86 T N 3.902 117.741 114.554 -1.193 0.000 2.883 86 T HA 0.464 4.829 4.350 0.025 0.000 0.301 86 T C -0.868 173.047 174.700 -1.309 0.000 1.158 86 T CA -0.391 61.093 62.100 -1.026 0.000 1.007 86 T CB 1.779 70.169 68.868 -0.797 0.000 1.186 86 T HN 0.297 nan 8.240 nan 0.000 0.499 87 F N 1.135 120.711 119.950 -0.624 0.000 2.818 87 F HA 0.198 4.736 4.527 0.018 0.000 0.369 87 F C 0.780 176.445 175.800 -0.225 0.000 1.327 87 F CA -0.924 56.850 58.000 -0.378 0.000 1.211 87 F CB 0.345 39.214 39.000 -0.217 0.000 1.036 87 F HN 0.573 nan 8.300 nan 0.000 0.510 88 H N 2.412 121.443 119.070 -0.066 0.000 3.156 88 H HA -0.177 4.395 4.556 0.027 0.000 0.213 88 H C -0.037 175.226 175.328 -0.109 0.000 0.718 88 H CA 0.742 56.689 56.048 -0.169 0.000 1.408 88 H CB -0.833 28.843 29.762 -0.144 0.000 1.459 88 H HN 0.360 nan 8.280 nan 0.000 0.464 89 F N 0.060 120.005 119.950 -0.009 0.000 2.572 89 F HA 0.678 5.217 4.527 0.021 0.000 0.342 89 F C 0.009 175.852 175.800 0.070 0.000 1.064 89 F CA -1.652 56.328 58.000 -0.033 0.000 1.008 89 F CB 1.438 40.283 39.000 -0.259 0.000 1.303 89 F HN 0.208 nan 8.300 nan 0.000 0.492 90 E N 1.086 121.577 120.200 0.485 0.000 2.448 90 E HA 0.241 4.606 4.350 0.025 0.000 0.288 90 E C -1.442 175.420 176.600 0.438 0.000 0.936 90 E CA -0.687 55.934 56.400 0.368 0.000 0.809 90 E CB 1.193 31.000 29.700 0.179 0.000 1.408 90 E HN 0.647 nan 8.360 nan 0.000 0.393 91 K N 1.069 121.741 120.400 0.454 0.000 2.180 91 K HA 0.086 4.421 4.320 0.025 0.000 0.251 91 K C 1.435 178.053 176.600 0.030 0.000 1.014 91 K CA 0.057 56.440 56.287 0.159 0.000 0.913 91 K CB 0.815 33.317 32.500 0.004 0.000 1.008 91 K HN 0.324 nan 8.250 nan 0.000 0.490 92 V N -1.194 118.646 119.914 -0.123 0.000 2.323 92 V HA -0.110 4.025 4.120 0.025 0.000 0.244 92 V C 0.554 176.653 176.094 0.008 0.000 1.041 92 V CA 1.106 63.373 62.300 -0.054 0.000 1.025 92 V CB -1.091 30.688 31.823 -0.073 0.000 0.656 92 V HN 0.936 nan 8.190 nan 0.000 0.451 93 H N -1.223 117.830 119.070 -0.028 0.000 2.895 93 H HA 0.567 5.138 4.556 0.026 0.000 0.373 93 H C 0.722 176.053 175.328 0.006 0.000 1.174 93 H CA -0.648 55.395 56.048 -0.009 0.000 1.144 93 H CB 1.309 31.055 29.762 -0.027 0.000 1.793 93 H HN 0.083 nan 8.280 nan 0.000 0.551 94 K N 0.219 120.709 120.400 0.150 0.000 2.362 94 K HA -0.193 4.142 4.320 0.025 0.000 0.202 94 K C -0.079 176.585 176.600 0.108 0.000 1.045 94 K CA 1.918 58.271 56.287 0.110 0.000 0.936 94 K CB -0.070 32.495 32.500 0.109 0.000 0.747 94 K HN 0.467 nan 8.250 nan 0.000 0.467 95 D N 0.699 121.239 120.400 0.233 0.000 2.355 95 D HA 0.061 4.716 4.640 0.025 0.000 0.218 95 D C 0.369 176.691 176.300 0.037 0.000 1.004 95 D CA 0.196 54.302 54.000 0.177 0.000 0.880 95 D CB 0.104 41.066 40.800 0.269 0.000 0.911 95 D HN 0.161 nan 8.370 nan 0.000 0.528 96 I N 1.932 122.386 120.570 -0.194 0.000 2.710 96 I HA -0.065 4.120 4.170 0.025 0.000 0.286 96 I C 0.753 176.809 176.117 -0.101 0.000 1.181 96 I CA -0.067 61.089 61.300 -0.241 0.000 1.430 96 I CB 0.083 37.801 38.000 -0.469 0.000 1.367 96 I HN -0.185 nan 8.210 nan 0.000 0.577 97 D N 4.925 125.294 120.400 -0.052 0.000 2.362 97 D HA 0.093 4.748 4.640 0.025 0.000 0.242 97 D C -0.094 176.194 176.300 -0.020 0.000 1.132 97 D CA -0.155 53.848 54.000 0.006 0.000 0.907 97 D CB 0.618 41.441 40.800 0.039 0.000 1.195 97 D HN 0.308 nan 8.370 nan 0.000 0.429 98 D N 1.363 121.764 120.400 0.001 0.000 2.399 98 D HA 0.046 4.701 4.640 0.025 0.000 0.241 98 D C -1.618 174.568 176.300 -0.191 0.000 1.133 98 D CA -1.006 52.887 54.000 -0.179 0.000 0.890 98 D CB 0.440 41.173 40.800 -0.111 0.000 1.201 98 D HN 0.161 nan 8.370 nan 0.000 0.432 99 P HA -0.090 nan 4.420 nan 0.000 0.290 99 P C 0.646 177.876 177.300 -0.117 0.000 1.584 99 P CA 0.311 63.279 63.100 -0.219 0.000 0.813 99 P CB -0.195 31.226 31.700 -0.466 0.000 1.775 100 H N -0.311 118.769 119.070 0.016 0.000 2.422 100 H HA -0.047 4.526 4.556 0.027 0.000 0.298 100 H C 1.721 177.072 175.328 0.040 0.000 1.098 100 H CA 1.528 57.603 56.048 0.045 0.000 1.315 100 H CB -0.295 29.485 29.762 0.030 0.000 1.382 100 H HN 0.285 nan 8.280 nan 0.000 0.523 101 S N 0.018 115.782 115.700 0.108 0.000 2.425 101 S HA 0.050 4.535 4.470 0.025 0.000 0.225 101 S C 2.292 176.909 174.600 0.028 0.000 1.024 101 S CA 0.077 58.306 58.200 0.050 0.000 0.951 101 S CB 0.218 63.419 63.200 0.001 0.000 0.796 101 S HN 0.271 nan 8.310 nan 0.000 0.498 102 I N 0.783 121.354 120.570 0.001 0.000 2.546 102 I HA -0.046 4.139 4.170 0.025 0.000 0.255 102 I C 2.022 178.283 176.117 0.241 0.000 1.163 102 I CA 1.055 62.353 61.300 -0.005 0.000 1.457 102 I CB -0.110 37.743 38.000 -0.245 0.000 1.092 102 I HN 0.257 nan 8.210 nan 0.000 0.434 103 I N 0.478 121.230 120.570 0.302 0.000 2.867 103 I HA -0.193 3.992 4.170 0.025 0.000 0.265 103 I C 1.996 178.225 176.117 0.187 0.000 1.162 103 I CA 0.986 62.512 61.300 0.378 0.000 1.471 103 I CB 0.135 38.359 38.000 0.373 0.000 1.123 103 I HN 0.111 nan 8.210 nan 0.000 0.440 104 D N 0.813 121.292 120.400 0.132 0.000 2.144 104 D HA -0.232 4.423 4.640 0.025 0.000 0.199 104 D C 2.037 178.350 176.300 0.022 0.000 0.984 104 D CA 1.313 55.355 54.000 0.070 0.000 0.834 104 D CB 0.169 41.007 40.800 0.063 0.000 0.955 104 D HN 0.223 nan 8.370 nan 0.000 0.465 105 E N -0.118 120.097 120.200 0.026 0.000 2.106 105 E HA -0.070 4.295 4.350 0.025 0.000 0.192 105 E C 2.281 178.851 176.600 -0.051 0.000 0.984 105 E CA 0.479 56.873 56.400 -0.010 0.000 0.806 105 E CB -0.288 29.405 29.700 -0.012 0.000 0.750 105 E HN 0.216 nan 8.360 nan 0.000 0.458 106 S N 0.753 116.420 115.700 -0.054 0.000 2.370 106 S HA -0.118 4.367 4.470 0.025 0.000 0.226 106 S C 2.270 176.744 174.600 -0.211 0.000 1.033 106 S CA 1.062 59.109 58.200 -0.256 0.000 1.011 106 S CB -0.232 62.798 63.200 -0.284 0.000 0.852 106 S HN 0.058 nan 8.310 nan 0.000 0.457 107 V N 2.209 122.080 119.914 -0.071 0.000 2.332 107 V HA -0.228 3.907 4.120 0.025 0.000 0.248 107 V C 2.266 178.250 176.094 -0.185 0.000 1.055 107 V CA 1.656 63.840 62.300 -0.195 0.000 1.038 107 V CB -0.601 31.059 31.823 -0.270 0.000 0.651 107 V HN 0.463 nan 8.190 nan 0.000 0.450 108 K N -0.670 119.662 120.400 -0.113 0.000 2.026 108 K HA -0.241 4.094 4.320 0.025 0.000 0.208 108 K C 2.212 178.763 176.600 -0.082 0.000 1.048 108 K CA 2.113 58.349 56.287 -0.084 0.000 0.929 108 K CB -0.499 31.974 32.500 -0.045 0.000 0.713 108 K HN 0.598 nan 8.250 nan 0.000 0.439 109 Y N 0.780 120.946 120.300 -0.223 0.000 2.207 109 Y HA -0.256 4.311 4.550 0.029 0.000 0.287 109 Y C 1.787 177.554 175.900 -0.221 0.000 1.156 109 Y CA 1.471 59.410 58.100 -0.268 0.000 1.182 109 Y CB -0.185 38.008 38.460 -0.446 0.000 0.979 109 Y HN -0.095 nan 8.280 nan 0.000 0.521 110 F N 0.589 120.428 119.950 -0.185 0.000 2.206 110 F HA -0.079 4.461 4.527 0.022 0.000 0.298 110 F C 2.190 177.949 175.800 -0.068 0.000 1.090 110 F CA 1.068 58.992 58.000 -0.126 0.000 1.323 110 F CB -0.538 38.523 39.000 0.103 0.000 1.028 110 F HN -0.074 nan 8.300 nan 0.000 0.492 111 K N 0.640 121.052 120.400 0.019 0.000 2.097 111 K HA -0.146 4.189 4.320 0.025 0.000 0.206 111 K C 1.926 178.524 176.600 -0.002 0.000 1.049 111 K CA 1.142 57.423 56.287 -0.009 0.000 0.933 111 K CB -0.377 32.077 32.500 -0.077 0.000 0.717 111 K HN 0.310 nan 8.250 nan 0.000 0.442 112 K N 0.474 120.831 120.400 -0.070 0.000 2.116 112 K HA -0.039 4.296 4.320 0.025 0.000 0.203 112 K C 1.984 178.525 176.600 -0.098 0.000 1.052 112 K CA 0.293 56.526 56.287 -0.090 0.000 0.952 112 K CB -0.113 32.310 32.500 -0.128 0.000 0.729 112 K HN -0.057 nan 8.250 nan 0.000 0.446 113 L N 1.649 122.768 121.223 -0.173 0.000 2.265 113 L HA -0.158 4.196 4.340 0.025 0.000 0.215 113 L C 1.524 178.452 176.870 0.097 0.000 1.117 113 L CA 1.761 56.514 54.840 -0.146 0.000 0.782 113 L CB -0.275 41.601 42.059 -0.306 0.000 0.914 113 L HN 0.085 nan 8.230 nan 0.000 0.441 114 D N -1.156 119.380 120.400 0.227 0.000 2.162 114 D HA -0.123 4.532 4.640 0.025 0.000 0.205 114 D C 1.907 178.290 176.300 0.137 0.000 0.964 114 D CA 0.793 54.962 54.000 0.282 0.000 0.847 114 D CB 0.204 41.139 40.800 0.225 0.000 0.988 114 D HN 0.301 nan 8.370 nan 0.000 0.480 115 E N 0.248 120.493 120.200 0.074 0.000 2.150 115 E HA -0.066 4.299 4.350 0.025 0.000 0.193 115 E C 1.970 178.598 176.600 0.046 0.000 0.985 115 E CA 0.814 57.241 56.400 0.046 0.000 0.814 115 E CB -0.173 29.536 29.700 0.016 0.000 0.752 115 E HN 0.328 nan 8.360 nan 0.000 0.466 116 A N 1.793 124.629 122.820 0.027 0.000 1.929 116 A HA -0.109 4.226 4.320 0.025 0.000 0.216 116 A C 2.296 179.941 177.584 0.102 0.000 1.176 116 A CA 1.190 53.234 52.037 0.011 0.000 0.628 116 A CB -0.659 18.308 19.000 -0.054 0.000 0.816 116 A HN 0.345 nan 8.150 nan 0.000 0.444 117 I N -2.731 117.910 120.570 0.118 0.000 2.233 117 I HA -0.097 4.088 4.170 0.025 0.000 0.243 117 I C 2.240 178.447 176.117 0.150 0.000 1.093 117 I CA 1.408 62.802 61.300 0.157 0.000 1.380 117 I CB -0.599 37.497 38.000 0.160 0.000 1.067 117 I HN 0.188 nan 8.210 nan 0.000 0.413 118 L N 2.144 123.441 121.223 0.124 0.000 2.081 118 L HA -0.152 4.203 4.340 0.025 0.000 0.212 118 L C 1.354 178.282 176.870 0.096 0.000 1.080 118 L CA 1.928 56.825 54.840 0.096 0.000 0.754 118 L CB -0.908 41.196 42.059 0.075 0.000 0.893 118 L HN 0.402 nan 8.230 nan 0.000 0.433 119 N N -1.158 117.614 118.700 0.121 0.000 2.453 119 N HA 0.185 4.940 4.740 0.025 0.000 0.270 119 N C -0.804 174.863 175.510 0.262 0.000 1.195 119 N CA 0.082 53.214 53.050 0.136 0.000 0.902 119 N CB 0.617 39.165 38.487 0.101 0.000 1.186 119 N HN 0.215 nan 8.380 nan 0.000 0.510 120 F N 0.000 119.961 119.950 0.018 0.000 2.286 120 F HA 0.000 4.542 4.527 0.024 0.000 0.279 120 F CA 0.000 58.009 58.000 0.015 0.000 1.383 120 F CB 0.000 39.007 39.000 0.012 0.000 1.145 120 F HN 0.000 nan 8.300 nan 0.000 0.574