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 2prr_1_B DATA FIRST_RESID 5 DATA SEQUENCE AHPISRYPVP ELAALPDDIR QRILEVQDKA GFVPNVFLTL AHRPDEFRAF DATA SEQUENCE FAYHDALXLK DGGLTKGERE XIVVATSAAN QCLYCVVAHG AILRIYEKKP DATA SEQUENCE LVADQVAVNY LKADIPPRQR AXLDFALKVC KASHEVNEAD FEALREHGFT DATA SEQUENCE DEDAWDIAAI TAFFGLSNRX ANTIGXRPND EFFLXGRVPK 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.520 177.584 -0.106 0.000 1.274 5 A CA 0.000 51.978 52.037 -0.098 0.000 0.836 5 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 6 H N 2.574 121.648 119.070 0.007 0.000 2.790 6 H HA 0.288 4.633 4.556 -0.352 0.000 0.358 6 H C -1.841 173.500 175.328 0.022 0.000 1.103 6 H CA -0.077 55.978 56.048 0.012 0.000 1.426 6 H CB 0.483 30.255 29.762 0.017 0.000 1.424 6 H HN 0.555 nan 8.280 nan 0.000 0.599 7 P HA 0.006 nan 4.420 nan 0.000 0.268 7 P C 1.010 178.370 177.300 0.100 0.000 1.205 7 P CA -0.015 63.140 63.100 0.091 0.000 0.771 7 P CB 0.675 32.410 31.700 0.059 0.000 0.858 8 I N -1.283 119.336 120.570 0.081 0.000 3.860 8 I HA 0.247 4.205 4.170 -0.353 0.000 0.319 8 I C 0.549 176.691 176.117 0.042 0.000 1.279 8 I CA 0.070 61.415 61.300 0.076 0.000 1.220 8 I CB 0.242 38.294 38.000 0.087 0.000 1.027 8 I HN 0.224 nan 8.210 nan 0.000 0.428 9 S N 0.394 116.118 115.700 0.040 0.000 2.588 9 S HA 0.396 4.654 4.470 -0.353 0.000 0.269 9 S C 0.258 174.879 174.600 0.035 0.000 1.157 9 S CA -0.844 57.379 58.200 0.037 0.000 0.824 9 S CB 1.855 65.078 63.200 0.038 0.000 1.126 9 S HN 0.319 nan 8.310 nan 0.000 0.464 10 R N 0.443 120.975 120.500 0.053 0.000 2.246 10 R HA 0.190 4.318 4.340 -0.353 0.000 0.199 10 R C -0.564 175.629 176.300 -0.179 0.000 0.984 10 R CA 0.512 56.587 56.100 -0.043 0.000 1.015 10 R CB 0.006 30.285 30.300 -0.035 0.000 0.930 10 R HN 0.644 nan 8.270 nan 0.000 0.475 11 Y N 0.445 120.659 120.300 -0.142 0.000 2.596 11 Y HA 0.399 4.739 4.550 -0.350 0.000 0.326 11 Y C -1.894 173.877 175.900 -0.215 0.000 1.167 11 Y CA -2.805 55.145 58.100 -0.250 0.000 1.246 11 Y CB 0.517 38.710 38.460 -0.444 0.000 1.347 11 Y HN -0.012 nan 8.280 nan 0.000 0.515 12 P HA 0.075 nan 4.420 nan 0.000 0.269 12 P C -1.315 176.036 177.300 0.086 0.000 1.209 12 P CA 0.025 63.149 63.100 0.039 0.000 0.776 12 P CB 0.461 32.264 31.700 0.172 0.000 0.876 13 V N 5.181 125.152 119.914 0.094 0.000 2.334 13 V HA 0.313 4.221 4.120 -0.353 0.000 0.281 13 V C -1.681 174.476 176.094 0.104 0.000 1.016 13 V CA -1.517 60.846 62.300 0.105 0.000 0.832 13 V CB 0.985 32.858 31.823 0.082 0.000 0.999 13 V HN 0.624 nan 8.190 nan 0.000 0.439 14 P HA 0.322 nan 4.420 nan 0.000 0.274 14 P C -0.459 176.870 177.300 0.048 0.000 1.237 14 P CA -0.482 62.662 63.100 0.074 0.000 0.793 14 P CB 1.070 32.802 31.700 0.054 0.000 0.977 15 E N 0.966 121.184 120.200 0.031 0.000 2.354 15 E HA 0.060 4.198 4.350 -0.353 0.000 0.269 15 E C 1.363 177.966 176.600 0.004 0.000 1.036 15 E CA -0.270 56.142 56.400 0.020 0.000 0.876 15 E CB 0.909 30.618 29.700 0.015 0.000 1.009 15 E HN 0.456 nan 8.360 nan 0.000 0.416 16 L N -0.066 121.157 121.223 0.000 0.000 2.191 16 L HA -0.061 4.067 4.340 -0.353 0.000 0.212 16 L C 1.859 178.714 176.870 -0.026 0.000 1.103 16 L CA 1.578 56.406 54.840 -0.020 0.000 0.769 16 L CB -0.470 41.576 42.059 -0.021 0.000 0.908 16 L HN 0.421 nan 8.230 nan 0.000 0.438 17 A N 0.853 123.664 122.820 -0.016 0.000 2.019 17 A HA 0.040 4.149 4.320 -0.353 0.000 0.219 17 A C 2.414 179.987 177.584 -0.019 0.000 1.164 17 A CA 1.566 53.593 52.037 -0.016 0.000 0.644 17 A CB -0.667 18.328 19.000 -0.009 0.000 0.805 17 A HN 0.607 nan 8.150 nan 0.000 0.449 18 A N -1.096 121.714 122.820 -0.017 0.000 2.238 18 A HA 0.472 4.580 4.320 -0.353 0.000 0.208 18 A C 0.800 178.363 177.584 -0.035 0.000 1.177 18 A CA -0.027 51.998 52.037 -0.019 0.000 0.804 18 A CB -0.260 18.735 19.000 -0.009 0.000 0.823 18 A HN 0.423 nan 8.150 nan 0.000 0.482 19 L N 0.025 121.218 121.223 -0.050 0.000 2.375 19 L HA 0.379 4.508 4.340 -0.353 0.000 0.268 19 L C -2.271 174.554 176.870 -0.075 0.000 1.058 19 L CA -2.435 52.358 54.840 -0.079 0.000 0.803 19 L CB 0.701 42.689 42.059 -0.119 0.000 1.212 19 L HN -0.048 nan 8.230 nan 0.000 0.451 20 P HA -0.033 nan 4.420 nan 0.000 0.267 20 P C -0.258 177.003 177.300 -0.065 0.000 1.201 20 P CA -0.022 63.039 63.100 -0.064 0.000 0.775 20 P CB 0.521 32.182 31.700 -0.065 0.000 0.854 21 D N 1.041 121.416 120.400 -0.041 0.000 2.117 21 D HA -0.164 4.265 4.640 -0.353 0.000 0.197 21 D C 1.380 177.660 176.300 -0.033 0.000 0.987 21 D CA 1.416 55.395 54.000 -0.035 0.000 0.829 21 D CB -0.443 40.345 40.800 -0.020 0.000 0.961 21 D HN 0.544 nan 8.370 nan 0.000 0.460 22 D N 0.717 121.105 120.400 -0.020 0.000 2.144 22 D HA -0.157 4.271 4.640 -0.353 0.000 0.199 22 D C 2.218 178.515 176.300 -0.005 0.000 0.984 22 D CA 0.595 54.598 54.000 0.005 0.000 0.834 22 D CB -0.747 40.074 40.800 0.036 0.000 0.955 22 D HN 0.288 nan 8.370 nan 0.000 0.465 23 I N 0.032 120.550 120.570 -0.086 0.000 2.202 23 I HA -0.150 3.809 4.170 -0.353 0.000 0.242 23 I C 2.931 178.939 176.117 -0.181 0.000 1.091 23 I CA 0.634 61.785 61.300 -0.248 0.000 1.368 23 I CB -0.272 37.419 38.000 -0.516 0.000 1.058 23 I HN -0.049 nan 8.210 nan 0.000 0.410 24 R N 0.786 121.209 120.500 -0.129 0.000 2.120 24 R HA -0.231 3.898 4.340 -0.353 0.000 0.234 24 R C 2.305 178.564 176.300 -0.069 0.000 1.123 24 R CA 1.588 57.634 56.100 -0.091 0.000 0.975 24 R CB -0.142 30.118 30.300 -0.068 0.000 0.866 24 R HN 0.413 nan 8.270 nan 0.000 0.446 25 Q N 0.331 120.101 119.800 -0.049 0.000 2.050 25 Q HA -0.216 3.912 4.340 -0.353 0.000 0.202 25 Q C 2.202 178.174 176.000 -0.048 0.000 0.980 25 Q CA 1.671 57.452 55.803 -0.037 0.000 0.840 25 Q CB -0.088 28.641 28.738 -0.015 0.000 0.898 25 Q HN 0.227 nan 8.270 nan 0.000 0.424 26 R N 0.121 120.610 120.500 -0.018 0.000 2.091 26 R HA -0.142 3.986 4.340 -0.353 0.000 0.238 26 R C 2.186 178.366 176.300 -0.199 0.000 1.136 26 R CA 1.643 57.722 56.100 -0.035 0.000 0.959 26 R CB -0.295 30.078 30.300 0.122 0.000 0.856 26 R HN 0.382 nan 8.270 nan 0.000 0.437 27 I N 0.712 121.182 120.570 -0.167 0.000 2.286 27 I HA -0.279 3.680 4.170 -0.353 0.000 0.248 27 I C 1.998 177.964 176.117 -0.252 0.000 1.115 27 I CA 1.090 62.223 61.300 -0.278 0.000 1.392 27 I CB -0.064 37.875 38.000 -0.102 0.000 1.065 27 I HN 0.243 nan 8.210 nan 0.000 0.418 28 L N -0.094 121.035 121.223 -0.157 0.000 2.270 28 L HA -0.088 4.040 4.340 -0.353 0.000 0.210 28 L C 2.323 179.113 176.870 -0.133 0.000 1.104 28 L CA 0.862 55.627 54.840 -0.124 0.000 0.804 28 L CB -0.367 41.646 42.059 -0.077 0.000 0.937 28 L HN 0.195 nan 8.230 nan 0.000 0.450 29 E N -0.409 119.707 120.200 -0.141 0.000 2.106 29 E HA -0.210 3.928 4.350 -0.353 0.000 0.192 29 E C 2.250 178.754 176.600 -0.160 0.000 0.984 29 E CA 1.187 57.516 56.400 -0.118 0.000 0.806 29 E CB -0.035 29.616 29.700 -0.082 0.000 0.750 29 E HN 0.244 nan 8.360 nan 0.000 0.458 30 V N 1.033 120.780 119.914 -0.277 0.000 2.548 30 V HA -0.253 3.656 4.120 -0.353 0.000 0.249 30 V C 2.251 178.169 176.094 -0.295 0.000 1.055 30 V CA 1.932 64.036 62.300 -0.326 0.000 1.065 30 V CB -0.049 31.398 31.823 -0.628 0.000 0.681 30 V HN 0.259 nan 8.190 nan 0.000 0.462 31 Q N -0.503 119.136 119.800 -0.270 0.000 2.079 31 Q HA -0.260 3.869 4.340 -0.353 0.000 0.200 31 Q C 2.039 177.956 176.000 -0.139 0.000 0.974 31 Q CA 2.251 57.931 55.803 -0.204 0.000 0.840 31 Q CB -0.229 28.427 28.738 -0.137 0.000 0.898 31 Q HN 0.787 nan 8.270 nan 0.000 0.430 32 D N 0.001 120.335 120.400 -0.111 0.000 2.106 32 D HA -0.205 4.224 4.640 -0.353 0.000 0.191 32 D C 1.952 178.212 176.300 -0.067 0.000 0.997 32 D CA 1.906 55.863 54.000 -0.070 0.000 0.834 32 D CB -0.151 40.615 40.800 -0.057 0.000 0.956 32 D HN 0.039 nan 8.370 nan 0.000 0.448 33 K N -0.519 119.831 120.400 -0.082 0.000 2.026 33 K HA 0.031 4.139 4.320 -0.353 0.000 0.208 33 K C 2.075 178.629 176.600 -0.076 0.000 1.048 33 K CA 1.606 57.856 56.287 -0.060 0.000 0.929 33 K CB -0.788 31.681 32.500 -0.051 0.000 0.713 33 K HN 0.329 nan 8.250 nan 0.000 0.439 34 A N -1.719 121.003 122.820 -0.164 0.000 2.115 34 A HA 0.456 4.564 4.320 -0.353 0.000 0.211 34 A C 1.877 179.368 177.584 -0.155 0.000 1.169 34 A CA 1.084 52.983 52.037 -0.229 0.000 0.787 34 A CB -0.174 18.497 19.000 -0.549 0.000 0.858 34 A HN 1.296 nan 8.150 nan 0.000 0.474 35 G N -1.671 107.060 108.800 -0.115 0.000 2.159 35 G HA2 -0.200 3.549 3.960 -0.353 0.000 0.256 35 G HA3 -0.200 3.549 3.960 -0.353 0.000 0.256 35 G C 0.095 175.058 174.900 0.104 0.000 0.977 35 G CA 0.699 45.803 45.100 0.008 0.000 0.652 35 G HN 1.763 nan 8.290 nan 0.000 0.531 36 F N -2.451 117.472 119.950 -0.045 0.000 2.773 36 F HA 0.707 5.022 4.527 -0.353 0.000 0.314 36 F C -1.001 174.783 175.800 -0.027 0.000 1.160 36 F CA -1.765 56.210 58.000 -0.042 0.000 0.920 36 F CB 1.055 40.014 39.000 -0.068 0.000 1.323 36 F HN 0.253 nan 8.300 nan 0.000 0.457 37 V N 2.501 122.523 119.914 0.180 0.000 2.347 37 V HA 0.449 4.357 4.120 -0.353 0.000 0.280 37 V C -2.321 174.023 176.094 0.418 0.000 1.021 37 V CA -1.994 60.359 62.300 0.089 0.000 0.847 37 V CB 1.136 33.007 31.823 0.081 0.000 0.990 37 V HN 0.577 nan 8.190 nan 0.000 0.444 38 P HA 0.069 nan 4.420 nan 0.000 0.262 38 P C 0.591 178.272 177.300 0.636 0.000 1.182 38 P CA 0.204 63.783 63.100 0.799 0.000 0.761 38 P CB 0.443 32.675 31.700 0.886 0.000 0.795 39 N N 2.001 121.017 118.700 0.527 0.000 2.430 39 N HA -0.111 4.418 4.740 -0.353 0.000 0.186 39 N C 1.658 177.207 175.510 0.064 0.000 1.032 39 N CA 0.523 53.723 53.050 0.250 0.000 0.893 39 N CB -0.571 38.011 38.487 0.158 0.000 0.957 39 N HN 0.206 nan 8.380 nan 0.000 0.442 40 V N 0.025 119.957 119.914 0.030 0.000 2.490 40 V HA -0.195 3.714 4.120 -0.353 0.000 0.250 40 V C 1.569 177.668 176.094 0.008 0.000 1.061 40 V CA 1.425 63.643 62.300 -0.137 0.000 1.064 40 V CB -0.444 31.353 31.823 -0.043 0.000 0.670 40 V HN 0.037 nan 8.190 nan 0.000 0.461 41 F N -0.104 119.993 119.950 0.246 0.000 2.128 41 F HA -0.019 4.299 4.527 -0.349 0.000 0.295 41 F C 2.104 178.110 175.800 0.344 0.000 1.100 41 F CA 1.820 59.996 58.000 0.293 0.000 1.260 41 F CB -0.483 38.605 39.000 0.145 0.000 1.009 41 F HN 0.093 nan 8.300 nan 0.000 0.476 42 L N -0.464 120.993 121.223 0.389 0.000 2.141 42 L HA -0.149 3.980 4.340 -0.353 0.000 0.209 42 L C 2.519 179.500 176.870 0.186 0.000 1.094 42 L CA 1.723 56.712 54.840 0.249 0.000 0.763 42 L CB -1.279 40.895 42.059 0.191 0.000 0.908 42 L HN 0.293 nan 8.230 nan 0.000 0.437 43 T N -2.464 112.168 114.554 0.130 0.000 2.937 43 T HA -0.014 4.124 4.350 -0.353 0.000 0.260 43 T C 1.806 176.545 174.700 0.066 0.000 1.051 43 T CA 0.495 62.630 62.100 0.057 0.000 1.141 43 T CB -0.384 68.462 68.868 -0.037 0.000 0.879 43 T HN 0.198 nan 8.240 nan 0.000 0.459 44 L N 0.983 122.250 121.223 0.072 0.000 2.395 44 L HA 0.251 4.379 4.340 -0.353 0.000 0.218 44 L C 3.177 180.240 176.870 0.320 0.000 1.130 44 L CA 0.595 55.484 54.840 0.082 0.000 0.826 44 L CB -0.678 41.293 42.059 -0.148 0.000 0.941 44 L HN 0.357 nan 8.230 nan 0.000 0.451 45 A N -0.175 122.877 122.820 0.386 0.000 2.024 45 A HA -0.297 3.812 4.320 -0.353 0.000 0.220 45 A C 2.054 179.698 177.584 0.100 0.000 1.164 45 A CA 1.729 53.873 52.037 0.178 0.000 0.643 45 A CB -0.818 18.227 19.000 0.075 0.000 0.806 45 A HN 0.530 nan 8.150 nan 0.000 0.451 46 H N -0.313 118.788 119.070 0.052 0.000 2.460 46 H HA -0.044 4.300 4.556 -0.354 0.000 0.297 46 H C 0.237 175.573 175.328 0.013 0.000 1.103 46 H CA 1.456 57.519 56.048 0.025 0.000 1.292 46 H CB 0.110 29.882 29.762 0.016 0.000 1.376 46 H HN 0.176 nan 8.280 nan 0.000 0.531 47 R N 0.238 120.752 120.500 0.023 0.000 2.443 47 R HA 0.168 4.296 4.340 -0.353 0.000 0.287 47 R C -2.233 174.111 176.300 0.073 0.000 1.425 47 R CA -2.077 54.015 56.100 -0.012 0.000 1.300 47 R CB 0.711 31.020 30.300 0.014 0.000 1.129 47 R HN 0.313 nan 8.270 nan 0.000 0.577 48 P HA -0.152 nan 4.420 nan 0.000 0.216 48 P C 0.508 177.894 177.300 0.142 0.000 1.150 48 P CA 1.208 64.341 63.100 0.054 0.000 0.843 48 P CB 0.466 32.146 31.700 -0.033 0.000 0.787 49 D N -0.709 119.749 120.400 0.096 0.000 2.144 49 D HA -0.143 4.285 4.640 -0.353 0.000 0.199 49 D C 1.858 178.252 176.300 0.156 0.000 0.984 49 D CA 1.087 55.155 54.000 0.113 0.000 0.834 49 D CB -0.427 40.415 40.800 0.069 0.000 0.955 49 D HN 0.362 nan 8.370 nan 0.000 0.465 50 E N -0.577 119.713 120.200 0.151 0.000 2.112 50 E HA -0.081 4.057 4.350 -0.353 0.000 0.190 50 E C 1.785 178.526 176.600 0.235 0.000 0.979 50 E CA 0.070 56.563 56.400 0.154 0.000 0.814 50 E CB -0.168 29.579 29.700 0.079 0.000 0.762 50 E HN 0.211 nan 8.360 nan 0.000 0.460 51 F N 2.515 122.538 119.950 0.120 0.000 2.120 51 F HA -0.239 4.080 4.527 -0.347 0.000 0.300 51 F C 2.125 178.160 175.800 0.391 0.000 1.095 51 F CA 1.686 59.833 58.000 0.245 0.000 1.249 51 F CB 0.049 39.194 39.000 0.241 0.000 0.995 51 F HN -0.184 nan 8.300 nan 0.000 0.480 52 R N 0.063 120.927 120.500 0.607 0.000 2.062 52 R HA -0.081 4.048 4.340 -0.353 0.000 0.231 52 R C 2.496 178.978 176.300 0.303 0.000 1.136 52 R CA 1.316 57.697 56.100 0.468 0.000 0.948 52 R CB -1.037 29.458 30.300 0.324 0.000 0.845 52 R HN 0.390 nan 8.270 nan 0.000 0.430 53 A N 0.828 123.791 122.820 0.239 0.000 1.930 53 A HA -0.178 3.930 4.320 -0.353 0.000 0.217 53 A C 1.966 179.670 177.584 0.200 0.000 1.175 53 A CA 0.998 53.145 52.037 0.182 0.000 0.627 53 A CB -0.608 18.491 19.000 0.164 0.000 0.815 53 A HN 0.352 nan 8.150 nan 0.000 0.443 54 F N -0.249 119.716 119.950 0.025 0.000 2.069 54 F HA -0.178 4.147 4.527 -0.336 0.000 0.298 54 F C 1.825 177.488 175.800 -0.228 0.000 1.113 54 F CA 2.009 59.950 58.000 -0.097 0.000 1.214 54 F CB -0.341 38.416 39.000 -0.405 0.000 0.978 54 F HN 0.212 nan 8.300 nan 0.000 0.474 55 F N 0.259 120.306 119.950 0.162 0.000 2.407 55 F HA 0.062 4.382 4.527 -0.345 0.000 0.299 55 F C 2.434 178.248 175.800 0.023 0.000 1.097 55 F CA 0.769 58.782 58.000 0.020 0.000 1.422 55 F CB -1.293 37.674 39.000 -0.054 0.000 1.067 55 F HN 0.073 nan 8.300 nan 0.000 0.539 56 A N -0.937 121.977 122.820 0.156 0.000 1.930 56 A HA -0.216 3.892 4.320 -0.353 0.000 0.217 56 A C 1.990 179.536 177.584 -0.063 0.000 1.175 56 A CA 1.361 53.437 52.037 0.065 0.000 0.627 56 A CB -1.065 17.964 19.000 0.048 0.000 0.815 56 A HN 0.393 nan 8.150 nan 0.000 0.443 57 Y N -0.587 119.543 120.300 -0.283 0.000 2.206 57 Y HA -0.130 4.193 4.550 -0.380 0.000 0.292 57 Y C 2.467 177.882 175.900 -0.809 0.000 1.123 57 Y CA 1.428 59.204 58.100 -0.539 0.000 1.142 57 Y CB -0.655 37.375 38.460 -0.717 0.000 1.006 57 Y HN 0.605 nan 8.280 nan 0.000 0.518 58 H N 0.188 118.716 119.070 -0.903 0.000 2.321 58 H HA -0.183 4.164 4.556 -0.348 0.000 0.295 58 H C 1.229 176.431 175.328 -0.208 0.000 1.102 58 H CA 2.251 57.869 56.048 -0.717 0.000 1.266 58 H CB -0.149 29.366 29.762 -0.412 0.000 1.363 58 H HN 0.314 nan 8.280 nan 0.000 0.492 59 D N 0.513 120.950 120.400 0.061 0.000 2.144 59 D HA -0.054 4.375 4.640 -0.353 0.000 0.200 59 D C 2.342 178.627 176.300 -0.025 0.000 0.978 59 D CA 1.200 55.251 54.000 0.085 0.000 0.833 59 D CB -0.635 40.256 40.800 0.152 0.000 0.961 59 D HN 0.490 nan 8.370 nan 0.000 0.470 60 A N 0.470 123.248 122.820 -0.070 0.000 1.986 60 A HA -0.107 4.001 4.320 -0.353 0.000 0.220 60 A C 1.389 178.947 177.584 -0.043 0.000 1.171 60 A CA 0.984 52.978 52.037 -0.071 0.000 0.640 60 A CB -0.435 18.486 19.000 -0.133 0.000 0.811 60 A HN 0.187 nan 8.150 nan 0.000 0.451 64 K N 1.099 121.497 120.400 -0.004 0.000 2.286 64 K HA 0.151 4.259 4.320 -0.353 0.000 0.256 64 K C -0.709 175.886 176.600 -0.008 0.000 0.999 64 K CA -0.058 56.224 56.287 -0.008 0.000 0.908 64 K CB 0.851 33.344 32.500 -0.011 0.000 0.981 64 K HN -0.112 nan 8.250 nan 0.000 0.500 65 D N 0.530 120.923 120.400 -0.011 0.000 2.198 65 D HA 0.425 4.853 4.640 -0.353 0.000 0.245 65 D C -0.019 176.277 176.300 -0.007 0.000 1.079 65 D CA 0.011 54.005 54.000 -0.011 0.000 0.854 65 D CB 1.707 42.498 40.800 -0.014 0.000 1.148 65 D HN 0.789 nan 8.370 nan 0.000 0.456 66 G N 0.058 108.860 108.800 0.003 0.000 2.490 66 G HA2 0.369 4.117 3.960 -0.353 0.000 0.308 66 G HA3 0.369 4.117 3.960 -0.353 0.000 0.308 66 G C 0.612 175.531 174.900 0.032 0.000 1.286 66 G CA -0.173 44.936 45.100 0.015 0.000 0.825 66 G HN 0.365 nan 8.290 nan 0.000 0.479 67 G N -0.871 107.964 108.800 0.059 0.000 2.534 67 G HA2 0.215 3.963 3.960 -0.353 0.000 0.217 67 G HA3 0.215 3.963 3.960 -0.353 0.000 0.217 67 G C 0.706 175.674 174.900 0.113 0.000 1.128 67 G CA 0.410 45.561 45.100 0.085 0.000 0.784 67 G HN 0.454 nan 8.290 nan 0.000 0.542 68 L N 1.698 122.984 121.223 0.104 0.000 2.325 68 L HA 0.356 4.485 4.340 -0.353 0.000 0.279 68 L C 1.111 178.013 176.870 0.053 0.000 1.054 68 L CA -0.859 54.045 54.840 0.107 0.000 0.804 68 L CB 1.463 43.573 42.059 0.086 0.000 1.200 68 L HN 0.080 nan 8.230 nan 0.000 0.436 69 T N -1.487 113.096 114.554 0.048 0.000 2.726 69 T HA 0.048 4.187 4.350 -0.353 0.000 0.294 69 T C 1.224 175.915 174.700 -0.015 0.000 1.013 69 T CA -0.156 61.946 62.100 0.004 0.000 0.996 69 T CB 1.196 70.070 68.868 0.009 0.000 1.016 69 T HN 0.618 nan 8.240 nan 0.000 0.529 70 K N -0.155 120.190 120.400 -0.092 0.000 2.103 70 K HA 0.110 4.218 4.320 -0.353 0.000 0.204 70 K C 2.494 179.126 176.600 0.053 0.000 1.052 70 K CA 1.090 57.294 56.287 -0.138 0.000 0.945 70 K CB -1.759 30.412 32.500 -0.547 0.000 0.722 70 K HN 0.873 nan 8.250 nan 0.000 0.443 71 G N 1.253 110.100 108.800 0.078 0.000 2.433 71 G HA2 -0.235 3.513 3.960 -0.353 0.000 0.216 71 G HA3 -0.235 3.513 3.960 -0.353 0.000 0.216 71 G C 1.587 176.548 174.900 0.101 0.000 1.186 71 G CA 0.870 46.077 45.100 0.178 0.000 0.779 71 G HN 0.643 nan 8.290 nan 0.000 0.543 72 E N 0.248 120.488 120.200 0.066 0.000 2.097 72 E HA -0.172 3.966 4.350 -0.353 0.000 0.196 72 E C 2.723 179.328 176.600 0.008 0.000 1.000 72 E CA 0.907 57.333 56.400 0.044 0.000 0.804 72 E CB -0.133 29.610 29.700 0.072 0.000 0.740 72 E HN 0.350 nan 8.360 nan 0.000 0.454 73 R N 0.813 121.323 120.500 0.017 0.000 2.083 73 R HA -0.083 4.046 4.340 -0.353 0.000 0.237 73 R C 1.098 177.350 176.300 -0.080 0.000 1.137 73 R CA 0.761 56.849 56.100 -0.020 0.000 0.951 73 R CB -0.116 30.191 30.300 0.012 0.000 0.851 73 R HN 0.125 nan 8.270 nan 0.000 0.434 77 V N 1.498 121.183 119.914 -0.383 0.000 2.307 77 V HA -0.204 3.704 4.120 -0.353 0.000 0.245 77 V C 2.330 178.207 176.094 -0.362 0.000 1.045 77 V CA 2.262 64.218 62.300 -0.573 0.000 1.024 77 V CB -0.194 30.963 31.823 -1.110 0.000 0.651 77 V HN 0.247 nan 8.190 nan 0.000 0.449 78 V N 0.243 120.000 119.914 -0.262 0.000 2.358 78 V HA -0.213 3.696 4.120 -0.353 0.000 0.246 78 V C 2.665 178.674 176.094 -0.142 0.000 1.047 78 V CA 1.881 64.080 62.300 -0.169 0.000 1.035 78 V CB -1.126 30.627 31.823 -0.117 0.000 0.658 78 V HN 0.546 nan 8.190 nan 0.000 0.452 79 A N 1.052 123.775 122.820 -0.162 0.000 1.877 79 A HA -0.223 3.885 4.320 -0.353 0.000 0.216 79 A C 2.506 179.991 177.584 -0.165 0.000 1.186 79 A CA 2.607 54.542 52.037 -0.170 0.000 0.620 79 A CB -1.041 17.783 19.000 -0.292 0.000 0.822 79 A HN 0.623 nan 8.150 nan 0.000 0.443 80 T N -3.037 111.405 114.554 -0.186 0.000 2.904 80 T HA -0.059 4.080 4.350 -0.353 0.000 0.267 80 T C 2.025 176.658 174.700 -0.112 0.000 1.059 80 T CA 1.579 63.587 62.100 -0.154 0.000 1.137 80 T CB -0.458 68.316 68.868 -0.158 0.000 0.879 80 T HN 0.254 nan 8.240 nan 0.000 0.467 81 S N 2.041 117.671 115.700 -0.117 0.000 2.348 81 S HA 0.056 4.314 4.470 -0.353 0.000 0.221 81 S C 2.688 177.253 174.600 -0.059 0.000 1.033 81 S CA 1.076 59.228 58.200 -0.080 0.000 1.010 81 S CB -0.998 62.145 63.200 -0.095 0.000 0.891 81 S HN 0.754 nan 8.310 nan 0.000 0.442 82 A N 1.604 124.385 122.820 -0.064 0.000 1.927 82 A HA -0.122 3.987 4.320 -0.353 0.000 0.220 82 A C 2.316 179.883 177.584 -0.030 0.000 1.185 82 A CA 2.065 54.077 52.037 -0.041 0.000 0.639 82 A CB -1.121 17.858 19.000 -0.035 0.000 0.820 82 A HN 0.562 nan 8.150 nan 0.000 0.451 83 A N -0.560 122.236 122.820 -0.040 0.000 1.969 83 A HA -0.104 4.004 4.320 -0.353 0.000 0.218 83 A C 1.669 179.233 177.584 -0.034 0.000 1.169 83 A CA 1.534 53.551 52.037 -0.034 0.000 0.635 83 A CB -0.423 18.547 19.000 -0.049 0.000 0.810 83 A HN 0.513 nan 8.150 nan 0.000 0.445 84 N N 0.143 118.820 118.700 -0.039 0.000 2.398 84 N HA 0.030 4.559 4.740 -0.353 0.000 0.188 84 N C -0.438 175.061 175.510 -0.019 0.000 1.122 84 N CA 0.234 53.264 53.050 -0.032 0.000 0.866 84 N CB -0.190 38.273 38.487 -0.040 0.000 0.970 84 N HN 0.523 nan 8.380 nan 0.000 0.462 85 Q N -0.417 119.373 119.800 -0.016 0.000 2.431 85 Q HA -0.215 3.914 4.340 -0.353 0.000 0.344 85 Q C -0.756 175.245 176.000 0.003 0.000 1.384 85 Q CA 0.310 56.109 55.803 -0.006 0.000 0.984 85 Q CB -1.932 26.805 28.738 -0.002 0.000 1.204 85 Q HN 0.346 nan 8.270 nan 0.000 0.392 86 C N 1.253 120.554 119.300 0.002 0.000 2.203 86 C HA 0.335 4.584 4.460 -0.353 0.000 0.325 86 C C 1.660 176.668 174.990 0.031 0.000 1.156 86 C CA -0.728 58.305 59.018 0.025 0.000 1.597 86 C CB -0.277 27.482 27.740 0.031 0.000 2.148 86 C HN 0.767 nan 8.230 nan 0.000 0.472 87 L N 6.011 127.265 121.223 0.053 0.000 2.012 87 L HA -0.061 4.068 4.340 -0.353 0.000 0.210 87 L C 1.866 178.763 176.870 0.044 0.000 1.073 87 L CA 2.284 57.156 54.840 0.052 0.000 0.748 87 L CB -1.205 40.907 42.059 0.089 0.000 0.891 87 L HN 0.848 nan 8.230 nan 0.000 0.431 88 Y N -0.302 120.000 120.300 0.004 0.000 2.070 88 Y HA -0.315 4.021 4.550 -0.356 0.000 0.280 88 Y C 2.678 178.561 175.900 -0.027 0.000 1.148 88 Y CA 2.087 60.188 58.100 0.002 0.000 1.125 88 Y CB -0.925 37.558 38.460 0.037 0.000 0.975 88 Y HN 0.323 nan 8.280 nan 0.000 0.492 89 C N -1.119 118.174 119.300 -0.012 0.000 2.429 89 C HA -0.132 4.116 4.460 -0.353 0.000 0.277 89 C C 2.854 177.783 174.990 -0.102 0.000 1.262 89 C CA 0.927 59.945 59.018 -0.000 0.000 1.733 89 C CB -1.293 26.516 27.740 0.115 0.000 2.010 89 C HN 0.495 nan 8.230 nan 0.000 0.483 90 V N 0.782 120.625 119.914 -0.119 0.000 2.255 90 V HA -0.202 3.706 4.120 -0.353 0.000 0.247 90 V C 2.452 178.412 176.094 -0.223 0.000 1.051 90 V CA 2.230 64.447 62.300 -0.139 0.000 1.018 90 V CB -0.625 31.140 31.823 -0.097 0.000 0.641 90 V HN 0.463 nan 8.190 nan 0.000 0.445 91 V N -0.017 119.707 119.914 -0.317 0.000 2.358 91 V HA -0.203 3.705 4.120 -0.353 0.000 0.246 91 V C 2.620 178.376 176.094 -0.564 0.000 1.047 91 V CA 1.931 63.948 62.300 -0.471 0.000 1.035 91 V CB -1.050 30.373 31.823 -0.667 0.000 0.658 91 V HN 0.554 nan 8.190 nan 0.000 0.452 92 A N -0.881 121.442 122.820 -0.829 0.000 1.855 92 A HA -0.214 3.895 4.320 -0.353 0.000 0.215 92 A C 2.103 179.093 177.584 -0.990 0.000 1.191 92 A CA 1.653 52.800 52.037 -1.484 0.000 0.613 92 A CB -0.765 17.098 19.000 -1.896 0.000 0.829 92 A HN 0.665 nan 8.150 nan 0.000 0.442 93 H N -0.838 117.903 119.070 -0.547 0.000 2.529 93 H HA -0.011 4.339 4.556 -0.345 0.000 0.277 93 H C 2.334 177.505 175.328 -0.261 0.000 0.999 93 H CA 0.799 56.643 56.048 -0.341 0.000 1.256 93 H CB -0.217 29.366 29.762 -0.299 0.000 1.402 93 H HN 0.539 nan 8.280 nan 0.000 0.566 94 G N 0.933 109.634 108.800 -0.165 0.000 2.418 94 G HA2 -0.230 3.519 3.960 -0.353 0.000 0.217 94 G HA3 -0.230 3.519 3.960 -0.353 0.000 0.217 94 G C 1.985 176.816 174.900 -0.115 0.000 1.158 94 G CA 0.931 45.954 45.100 -0.127 0.000 0.771 94 G HN 0.443 nan 8.290 nan 0.000 0.545 95 A N 0.832 123.566 122.820 -0.142 0.000 1.877 95 A HA 0.025 4.134 4.320 -0.353 0.000 0.216 95 A C 2.409 179.946 177.584 -0.079 0.000 1.186 95 A CA 1.370 53.379 52.037 -0.047 0.000 0.620 95 A CB -0.374 18.687 19.000 0.102 0.000 0.822 95 A HN 0.381 nan 8.150 nan 0.000 0.443 96 I N -0.851 119.620 120.570 -0.164 0.000 2.226 96 I HA -0.228 3.731 4.170 -0.353 0.000 0.245 96 I C 2.425 178.351 176.117 -0.318 0.000 1.100 96 I CA 1.204 62.320 61.300 -0.307 0.000 1.374 96 I CB -0.342 37.467 38.000 -0.318 0.000 1.057 96 I HN 0.384 nan 8.210 nan 0.000 0.413 97 L N 1.133 122.272 121.223 -0.140 0.000 2.042 97 L HA -0.207 3.921 4.340 -0.353 0.000 0.210 97 L C 2.623 179.487 176.870 -0.010 0.000 1.076 97 L CA 1.826 56.645 54.840 -0.034 0.000 0.749 97 L CB -0.634 41.412 42.059 -0.021 0.000 0.893 97 L HN 0.090 nan 8.230 nan 0.000 0.432 98 R N -0.775 119.707 120.500 -0.030 0.000 2.096 98 R HA -0.145 3.983 4.340 -0.353 0.000 0.235 98 R C 2.121 178.428 176.300 0.011 0.000 1.127 98 R CA 1.497 57.597 56.100 -0.001 0.000 0.968 98 R CB -0.400 29.899 30.300 -0.002 0.000 0.861 98 R HN 0.356 nan 8.270 nan 0.000 0.440 99 I N 0.008 120.557 120.570 -0.036 0.000 2.110 99 I HA -0.271 3.687 4.170 -0.353 0.000 0.236 99 I C 2.240 178.421 176.117 0.107 0.000 1.068 99 I CA 1.557 62.851 61.300 -0.010 0.000 1.333 99 I CB -1.370 36.565 38.000 -0.109 0.000 1.054 99 I HN 0.082 nan 8.210 nan 0.000 0.402 100 Y N 1.456 121.783 120.300 0.045 0.000 2.193 100 Y HA -0.187 4.149 4.550 -0.356 0.000 0.285 100 Y C 2.596 178.516 175.900 0.033 0.000 1.166 100 Y CA 0.880 59.004 58.100 0.041 0.000 1.181 100 Y CB -0.820 37.664 38.460 0.041 0.000 0.976 100 Y HN 0.317 nan 8.280 nan 0.000 0.520 101 E N -0.124 120.188 120.200 0.187 0.000 2.385 101 E HA -0.039 4.100 4.350 -0.353 0.000 0.194 101 E C 0.435 177.085 176.600 0.082 0.000 1.013 101 E CA 0.239 56.707 56.400 0.113 0.000 0.866 101 E CB -0.023 29.729 29.700 0.085 0.000 0.832 101 E HN 0.361 nan 8.360 nan 0.000 0.500 102 K N 0.650 121.098 120.400 0.081 0.000 3.071 102 K HA -0.197 3.912 4.320 -0.353 0.000 0.265 102 K C -0.415 176.212 176.600 0.046 0.000 1.060 102 K CA 0.622 56.945 56.287 0.060 0.000 0.767 102 K CB -1.217 31.317 32.500 0.058 0.000 1.241 102 K HN -0.005 nan 8.250 nan 0.000 0.486 103 K N -0.050 120.376 120.400 0.043 0.000 2.592 103 K HA 0.146 4.254 4.320 -0.353 0.000 0.212 103 K C -1.888 174.728 176.600 0.028 0.000 1.013 103 K CA -1.856 54.452 56.287 0.035 0.000 1.034 103 K CB 1.318 33.839 32.500 0.036 0.000 1.292 103 K HN -0.200 nan 8.250 nan 0.000 0.521 104 P HA -0.196 nan 4.420 nan 0.000 0.218 104 P C 0.678 177.990 177.300 0.019 0.000 1.146 104 P CA 1.271 64.385 63.100 0.023 0.000 0.820 104 P CB 0.257 31.971 31.700 0.024 0.000 0.778 105 L N -1.958 119.277 121.223 0.019 0.000 2.513 105 L HA 0.085 4.214 4.340 -0.353 0.000 0.222 105 L C 2.487 179.366 176.870 0.015 0.000 1.096 105 L CA 0.167 55.017 54.840 0.017 0.000 0.857 105 L CB -0.634 41.435 42.059 0.017 0.000 1.026 105 L HN -0.180 nan 8.230 nan 0.000 0.469 106 V N 0.678 120.603 119.914 0.017 0.000 2.515 106 V HA -0.223 3.686 4.120 -0.353 0.000 0.250 106 V C 2.555 178.656 176.094 0.013 0.000 1.058 106 V CA 1.907 64.218 62.300 0.019 0.000 1.064 106 V CB 0.122 31.960 31.823 0.025 0.000 0.675 106 V HN 0.429 nan 8.190 nan 0.000 0.461 107 A N -0.668 122.153 122.820 0.002 0.000 1.930 107 A HA -0.131 3.977 4.320 -0.353 0.000 0.215 107 A C 1.874 179.451 177.584 -0.012 0.000 1.176 107 A CA 1.553 53.582 52.037 -0.014 0.000 0.632 107 A CB -0.602 18.379 19.000 -0.032 0.000 0.819 107 A HN 0.568 nan 8.150 nan 0.000 0.445 108 D N -0.031 120.366 120.400 -0.004 0.000 2.123 108 D HA -0.168 4.261 4.640 -0.353 0.000 0.196 108 D C 2.192 178.497 176.300 0.008 0.000 0.992 108 D CA 1.616 55.616 54.000 0.001 0.000 0.833 108 D CB -0.374 40.431 40.800 0.008 0.000 0.954 108 D HN 0.610 nan 8.370 nan 0.000 0.455 109 Q N -0.033 119.775 119.800 0.014 0.000 2.020 109 Q HA -0.098 4.031 4.340 -0.353 0.000 0.202 109 Q C 2.350 178.372 176.000 0.037 0.000 0.982 109 Q CA 1.013 56.828 55.803 0.020 0.000 0.838 109 Q CB -0.084 28.666 28.738 0.021 0.000 0.899 109 Q HN 0.160 nan 8.270 nan 0.000 0.423 110 V N 0.898 120.836 119.914 0.041 0.000 2.427 110 V HA -0.262 3.647 4.120 -0.353 0.000 0.248 110 V C 2.209 178.331 176.094 0.047 0.000 1.051 110 V CA 1.683 64.022 62.300 0.065 0.000 1.048 110 V CB -0.956 30.884 31.823 0.027 0.000 0.666 110 V HN 0.405 nan 8.190 nan 0.000 0.456 111 A N -0.196 122.631 122.820 0.011 0.000 1.902 111 A HA -0.138 3.971 4.320 -0.353 0.000 0.217 111 A C 2.349 179.943 177.584 0.016 0.000 1.181 111 A CA 2.212 54.248 52.037 -0.003 0.000 0.623 111 A CB -0.522 18.465 19.000 -0.020 0.000 0.818 111 A HN 0.354 nan 8.150 nan 0.000 0.443 112 V N -0.416 119.510 119.914 0.021 0.000 2.379 112 V HA 0.021 3.930 4.120 -0.353 0.000 0.243 112 V C 0.759 176.870 176.094 0.028 0.000 1.035 112 V CA 1.648 63.959 62.300 0.019 0.000 1.035 112 V CB -0.641 31.189 31.823 0.011 0.000 0.673 112 V HN 0.687 nan 8.190 nan 0.000 0.457 113 N N -0.686 118.033 118.700 0.033 0.000 2.793 113 N HA 0.101 4.629 4.740 -0.353 0.000 0.251 113 N C 0.148 175.659 175.510 0.002 0.000 1.308 113 N CA -0.529 52.525 53.050 0.008 0.000 0.781 113 N CB 0.485 38.949 38.487 -0.038 0.000 1.439 113 N HN 0.328 nan 8.380 nan 0.000 0.562 114 Y N 1.981 122.265 120.300 -0.026 0.000 2.384 114 Y HA 0.068 4.411 4.550 -0.344 0.000 0.289 114 Y C 0.960 176.849 175.900 -0.020 0.000 1.152 114 Y CA 0.856 58.941 58.100 -0.025 0.000 1.258 114 Y CB -0.321 38.118 38.460 -0.034 0.000 0.979 114 Y HN 0.449 nan 8.280 nan 0.000 0.549 115 L N 0.181 121.017 121.223 -0.645 0.000 2.456 115 L HA -0.061 4.067 4.340 -0.353 0.000 0.224 115 L C 1.440 178.184 176.870 -0.210 0.000 1.148 115 L CA 1.069 55.605 54.840 -0.507 0.000 0.825 115 L CB -0.278 41.499 42.059 -0.469 0.000 0.937 115 L HN 0.147 nan 8.230 nan 0.000 0.450 116 K N -0.278 120.043 120.400 -0.131 0.000 2.469 116 K HA 0.346 4.455 4.320 -0.353 0.000 0.204 116 K C 0.243 176.829 176.600 -0.024 0.000 1.047 116 K CA -0.029 56.220 56.287 -0.064 0.000 1.072 116 K CB 0.967 33.434 32.500 -0.054 0.000 0.863 116 K HN 0.041 nan 8.250 nan 0.000 0.530 117 A N 1.289 124.106 122.820 -0.005 0.000 2.371 117 A HA 0.171 4.280 4.320 -0.353 0.000 0.257 117 A C -0.243 177.353 177.584 0.021 0.000 1.089 117 A CA -0.168 51.883 52.037 0.024 0.000 0.794 117 A CB 0.190 19.226 19.000 0.060 0.000 1.029 117 A HN 0.064 nan 8.150 nan 0.000 0.488 118 D N 1.750 122.163 120.400 0.022 0.000 2.541 118 D HA 0.315 4.744 4.640 -0.353 0.000 0.231 118 D C 0.014 176.332 176.300 0.029 0.000 1.163 118 D CA 0.813 54.826 54.000 0.022 0.000 1.077 118 D CB -0.604 40.208 40.800 0.020 0.000 1.110 118 D HN 0.518 nan 8.370 nan 0.000 0.499 119 I N -2.157 118.432 120.570 0.033 0.000 2.894 119 I HA 0.613 4.572 4.170 -0.353 0.000 0.302 119 I C -2.744 173.396 176.117 0.038 0.000 1.188 119 I CA -2.370 58.954 61.300 0.041 0.000 1.014 119 I CB 2.651 40.684 38.000 0.056 0.000 1.242 119 I HN -0.219 nan 8.210 nan 0.000 0.430 120 P HA 0.372 nan 4.420 nan 0.000 0.274 120 P C -2.375 174.947 177.300 0.036 0.000 1.256 120 P CA -1.400 61.724 63.100 0.039 0.000 0.795 120 P CB 0.187 31.911 31.700 0.040 0.000 1.038 121 P HA -0.140 nan 4.420 nan 0.000 0.217 121 P C 1.729 178.940 177.300 -0.149 0.000 1.148 121 P CA 1.539 64.648 63.100 0.016 0.000 0.828 121 P CB -0.065 31.723 31.700 0.148 0.000 0.783 122 R N -0.044 120.430 120.500 -0.044 0.000 2.081 122 R HA -0.151 3.977 4.340 -0.353 0.000 0.235 122 R C 2.260 178.622 176.300 0.102 0.000 1.131 122 R CA 1.593 57.669 56.100 -0.040 0.000 0.960 122 R CB -0.447 29.875 30.300 0.037 0.000 0.856 122 R HN 0.202 nan 8.270 nan 0.000 0.436 123 Q N -0.370 119.488 119.800 0.097 0.000 2.083 123 Q HA -0.149 3.980 4.340 -0.353 0.000 0.198 123 Q C 2.217 178.253 176.000 0.060 0.000 0.969 123 Q CA 1.362 57.231 55.803 0.110 0.000 0.838 123 Q CB -0.123 28.667 28.738 0.087 0.000 0.900 123 Q HN 0.291 nan 8.270 nan 0.000 0.436 124 R N 0.676 121.208 120.500 0.054 0.000 2.105 124 R HA -0.084 4.045 4.340 -0.353 0.000 0.239 124 R C 0.737 177.080 176.300 0.073 0.000 1.135 124 R CA 0.841 57.010 56.100 0.114 0.000 0.967 124 R CB -0.136 30.209 30.300 0.075 0.000 0.861 124 R HN 0.169 nan 8.270 nan 0.000 0.442 128 D N 0.902 121.271 120.400 -0.051 0.000 2.104 128 D HA -0.172 4.256 4.640 -0.353 0.000 0.194 128 D C 1.704 177.995 176.300 -0.014 0.000 0.994 128 D CA 1.754 55.781 54.000 0.044 0.000 0.830 128 D CB -0.052 40.815 40.800 0.110 0.000 0.959 128 D HN 0.266 nan 8.370 nan 0.000 0.452 129 F N 1.347 121.197 119.950 -0.167 0.000 2.186 129 F HA -0.058 4.241 4.527 -0.381 0.000 0.299 129 F C 2.141 177.812 175.800 -0.214 0.000 1.090 129 F CA 1.250 59.125 58.000 -0.208 0.000 1.307 129 F CB -0.138 38.709 39.000 -0.255 0.000 1.019 129 F HN -0.074 nan 8.300 nan 0.000 0.489 130 A N 0.738 123.452 122.820 -0.176 0.000 1.858 130 A HA -0.133 3.975 4.320 -0.353 0.000 0.216 130 A C 2.154 179.560 177.584 -0.297 0.000 1.190 130 A CA 1.573 53.454 52.037 -0.260 0.000 0.617 130 A CB -1.119 17.755 19.000 -0.210 0.000 0.827 130 A HN 0.368 nan 8.150 nan 0.000 0.443 131 L N -0.184 120.877 121.223 -0.270 0.000 2.127 131 L HA -0.163 3.966 4.340 -0.353 0.000 0.211 131 L C 2.390 179.137 176.870 -0.204 0.000 1.089 131 L CA 2.223 56.933 54.840 -0.216 0.000 0.757 131 L CB -1.128 40.829 42.059 -0.169 0.000 0.899 131 L HN 0.564 nan 8.230 nan 0.000 0.434 132 K N -0.238 120.006 120.400 -0.259 0.000 2.031 132 K HA -0.111 3.997 4.320 -0.353 0.000 0.205 132 K C 2.086 178.486 176.600 -0.333 0.000 1.049 132 K CA 1.029 57.153 56.287 -0.273 0.000 0.939 132 K CB 0.168 32.490 32.500 -0.296 0.000 0.717 132 K HN 0.061 nan 8.250 nan 0.000 0.438 133 V N 1.180 120.796 119.914 -0.497 0.000 2.392 133 V HA -0.331 3.577 4.120 -0.353 0.000 0.249 133 V C 2.561 178.501 176.094 -0.257 0.000 1.059 133 V CA 1.828 63.869 62.300 -0.432 0.000 1.051 133 V CB -0.551 30.946 31.823 -0.544 0.000 0.658 133 V HN 0.617 nan 8.190 nan 0.000 0.455 134 C N 0.354 119.514 119.300 -0.234 0.000 2.436 134 C HA -0.118 4.130 4.460 -0.353 0.000 0.277 134 C C 2.649 177.567 174.990 -0.119 0.000 1.241 134 C CA 1.154 60.075 59.018 -0.163 0.000 1.721 134 C CB -0.821 26.826 27.740 -0.156 0.000 2.043 134 C HN 0.472 nan 8.230 nan 0.000 0.472 135 K N 0.015 120.349 120.400 -0.110 0.000 2.360 135 K HA 0.332 4.440 4.320 -0.353 0.000 0.196 135 K C 0.526 177.110 176.600 -0.027 0.000 1.049 135 K CA 0.879 57.129 56.287 -0.062 0.000 1.049 135 K CB 0.558 33.028 32.500 -0.050 0.000 0.881 135 K HN 0.466 nan 8.250 nan 0.000 0.542 136 A N 1.288 124.073 122.820 -0.058 0.000 3.339 136 A HA 0.145 4.253 4.320 -0.353 0.000 0.219 136 A C 0.903 178.414 177.584 -0.122 0.000 0.974 136 A CA -0.202 51.827 52.037 -0.013 0.000 1.050 136 A CB -0.218 18.732 19.000 -0.084 0.000 1.271 136 A HN 0.074 nan 8.150 nan 0.000 0.565 137 S N 0.587 116.249 115.700 -0.064 0.000 2.419 137 S HA -0.243 4.016 4.470 -0.353 0.000 0.235 137 S C 1.783 176.336 174.600 -0.077 0.000 1.019 137 S CA 1.536 59.663 58.200 -0.122 0.000 0.982 137 S CB -0.907 62.228 63.200 -0.108 0.000 0.789 137 S HN 0.912 nan 8.310 nan 0.000 0.490 138 H N 1.177 120.202 119.070 -0.075 0.000 2.521 138 H HA 0.144 4.485 4.556 -0.357 0.000 0.286 138 H C 0.971 176.280 175.328 -0.033 0.000 1.034 138 H CA 1.331 57.351 56.048 -0.046 0.000 1.278 138 H CB -0.468 29.270 29.762 -0.039 0.000 1.386 138 H HN 0.607 nan 8.280 nan 0.000 0.567 139 E N 1.077 120.922 120.200 -0.593 0.000 2.476 139 E HA 0.168 4.306 4.350 -0.353 0.000 0.196 139 E C -0.085 176.397 176.600 -0.196 0.000 1.029 139 E CA -0.261 55.901 56.400 -0.396 0.000 0.896 139 E CB 0.943 30.364 29.700 -0.464 0.000 1.012 139 E HN 0.104 nan 8.360 nan 0.000 0.475 140 V N 3.463 123.284 119.914 -0.155 0.000 2.529 140 V HA -0.041 3.867 4.120 -0.353 0.000 0.292 140 V C 0.165 176.275 176.094 0.027 0.000 1.028 140 V CA 0.187 62.433 62.300 -0.090 0.000 1.074 140 V CB -0.092 31.672 31.823 -0.099 0.000 0.958 140 V HN 0.387 nan 8.190 nan 0.000 0.481 141 N N 3.179 121.914 118.700 0.058 0.000 2.761 141 N HA 0.392 4.920 4.740 -0.353 0.000 0.283 141 N C 0.447 176.108 175.510 0.251 0.000 1.377 141 N CA -0.926 52.202 53.050 0.131 0.000 0.791 141 N CB 0.812 39.337 38.487 0.063 0.000 1.540 141 N HN 0.202 nan 8.380 nan 0.000 0.539 142 E N -0.310 120.032 120.200 0.237 0.000 2.204 142 E HA -0.136 4.003 4.350 -0.353 0.000 0.195 142 E C 1.544 178.279 176.600 0.226 0.000 0.990 142 E CA 1.358 57.926 56.400 0.281 0.000 0.821 142 E CB -0.572 29.218 29.700 0.148 0.000 0.750 142 E HN 0.690 nan 8.360 nan 0.000 0.477 143 A N 1.406 124.307 122.820 0.135 0.000 2.066 143 A HA -0.146 3.962 4.320 -0.353 0.000 0.218 143 A C 1.725 179.355 177.584 0.076 0.000 1.157 143 A CA 1.193 53.286 52.037 0.093 0.000 0.670 143 A CB -0.096 18.940 19.000 0.061 0.000 0.804 143 A HN 0.062 nan 8.150 nan 0.000 0.453 144 D N -0.724 119.704 120.400 0.047 0.000 2.149 144 D HA -0.083 4.345 4.640 -0.353 0.000 0.201 144 D C 1.476 177.685 176.300 -0.152 0.000 0.972 144 D CA 1.022 55.008 54.000 -0.025 0.000 0.835 144 D CB -0.293 40.499 40.800 -0.013 0.000 0.966 144 D HN 0.481 nan 8.370 nan 0.000 0.476 145 F N 1.556 121.507 119.950 0.001 0.000 2.113 145 F HA -0.078 4.220 4.527 -0.382 0.000 0.297 145 F C 2.546 178.327 175.800 -0.032 0.000 1.103 145 F CA 0.870 58.821 58.000 -0.082 0.000 1.248 145 F CB -0.472 38.507 39.000 -0.035 0.000 0.999 145 F HN -0.076 nan 8.300 nan 0.000 0.475 146 E N 0.418 120.726 120.200 0.180 0.000 2.085 146 E HA -0.232 3.906 4.350 -0.353 0.000 0.194 146 E C 2.313 178.966 176.600 0.090 0.000 0.994 146 E CA 1.129 57.596 56.400 0.112 0.000 0.801 146 E CB -0.207 29.546 29.700 0.088 0.000 0.743 146 E HN 0.310 nan 8.360 nan 0.000 0.453 147 A N 0.718 123.589 122.820 0.085 0.000 1.940 147 A HA -0.158 3.951 4.320 -0.353 0.000 0.219 147 A C 2.158 179.852 177.584 0.184 0.000 1.176 147 A CA 1.196 53.302 52.037 0.115 0.000 0.631 147 A CB -0.546 18.515 19.000 0.102 0.000 0.814 147 A HN 0.326 nan 8.150 nan 0.000 0.446 148 L N -1.397 119.895 121.223 0.115 0.000 2.109 148 L HA -0.101 4.028 4.340 -0.353 0.000 0.207 148 L C 2.811 179.840 176.870 0.265 0.000 1.086 148 L CA 0.945 55.906 54.840 0.201 0.000 0.760 148 L CB -0.411 41.617 42.059 -0.053 0.000 0.910 148 L HN 0.329 nan 8.230 nan 0.000 0.437 149 R N 0.193 120.786 120.500 0.155 0.000 2.096 149 R HA -0.175 3.954 4.340 -0.353 0.000 0.235 149 R C 2.048 178.374 176.300 0.044 0.000 1.127 149 R CA 1.318 57.479 56.100 0.101 0.000 0.968 149 R CB -0.265 30.079 30.300 0.074 0.000 0.861 149 R HN 0.469 nan 8.270 nan 0.000 0.440 150 E N -0.464 119.750 120.200 0.024 0.000 2.204 150 E HA -0.152 3.987 4.350 -0.353 0.000 0.195 150 E C 1.311 177.788 176.600 -0.205 0.000 0.990 150 E CA 0.759 57.103 56.400 -0.094 0.000 0.821 150 E CB 0.029 29.652 29.700 -0.129 0.000 0.750 150 E HN 0.482 nan 8.360 nan 0.000 0.477 151 H N -1.084 117.996 119.070 0.017 0.000 2.539 151 H HA 0.138 4.483 4.556 -0.353 0.000 0.269 151 H C 1.208 176.390 175.328 -0.244 0.000 0.980 151 H CA 0.821 56.838 56.048 -0.051 0.000 1.152 151 H CB 1.091 30.895 29.762 0.069 0.000 1.407 151 H HN 0.339 nan 8.280 nan 0.000 0.564 152 G N 0.783 109.521 108.800 -0.103 0.000 2.157 152 G HA2 -0.250 3.498 3.960 -0.353 0.000 0.239 152 G HA3 -0.250 3.498 3.960 -0.353 0.000 0.239 152 G C -0.183 174.590 174.900 -0.211 0.000 0.982 152 G CA -0.331 44.659 45.100 -0.182 0.000 0.650 152 G HN 0.162 nan 8.290 nan 0.000 0.527 153 F N 2.236 122.207 119.950 0.036 0.000 2.396 153 F HA 0.570 4.894 4.527 -0.338 0.000 0.343 153 F C 1.440 177.249 175.800 0.016 0.000 1.104 153 F CA 0.227 58.237 58.000 0.016 0.000 1.161 153 F CB 1.208 40.203 39.000 -0.009 0.000 1.146 153 F HN 0.194 nan 8.300 nan 0.000 0.522 154 T N -1.690 112.985 114.554 0.201 0.000 2.824 154 T HA 0.192 4.330 4.350 -0.353 0.000 0.277 154 T C 0.810 175.584 174.700 0.125 0.000 0.975 154 T CA -0.726 61.444 62.100 0.117 0.000 0.966 154 T CB 0.931 69.844 68.868 0.075 0.000 1.054 154 T HN 0.459 nan 8.240 nan 0.000 0.533 155 D N 0.213 120.659 120.400 0.077 0.000 2.123 155 D HA -0.093 4.336 4.640 -0.353 0.000 0.196 155 D C 2.080 178.462 176.300 0.136 0.000 0.992 155 D CA 1.164 55.206 54.000 0.070 0.000 0.833 155 D CB -0.042 40.756 40.800 -0.003 0.000 0.954 155 D HN 0.601 nan 8.370 nan 0.000 0.455 156 E N 0.548 120.804 120.200 0.094 0.000 2.152 156 E HA -0.106 4.033 4.350 -0.353 0.000 0.192 156 E C 1.460 178.155 176.600 0.157 0.000 0.983 156 E CA 0.622 57.076 56.400 0.091 0.000 0.818 156 E CB -0.126 29.568 29.700 -0.010 0.000 0.758 156 E HN 0.385 nan 8.360 nan 0.000 0.467 157 D N 0.835 121.326 120.400 0.153 0.000 2.144 157 D HA -0.067 4.362 4.640 -0.353 0.000 0.200 157 D C 1.838 178.203 176.300 0.108 0.000 0.978 157 D CA 1.218 55.316 54.000 0.162 0.000 0.833 157 D CB -0.146 40.816 40.800 0.270 0.000 0.961 157 D HN 0.134 nan 8.370 nan 0.000 0.470 158 A N 1.035 123.921 122.820 0.110 0.000 1.873 158 A HA -0.167 3.941 4.320 -0.353 0.000 0.215 158 A C 2.109 179.859 177.584 0.278 0.000 1.186 158 A CA 1.050 53.104 52.037 0.029 0.000 0.616 158 A CB -1.114 17.953 19.000 0.112 0.000 0.823 158 A HN 0.377 nan 8.150 nan 0.000 0.442 159 W N 1.649 123.042 121.300 0.156 0.000 2.335 159 W HA -0.182 4.524 4.660 0.077 0.000 0.311 159 W C 1.120 177.710 176.519 0.117 0.000 1.213 159 W CA 2.180 59.619 57.345 0.157 0.000 1.274 159 W CB -0.585 28.938 29.460 0.104 0.000 1.148 159 W HN 0.438 nan 8.180 nan 0.000 0.498 160 D N 0.463 121.119 120.400 0.427 0.000 2.123 160 D HA -0.210 4.218 4.640 -0.353 0.000 0.196 160 D C 2.204 178.606 176.300 0.169 0.000 0.992 160 D CA 2.109 56.277 54.000 0.281 0.000 0.833 160 D CB -0.711 40.192 40.800 0.171 0.000 0.954 160 D HN 0.263 nan 8.370 nan 0.000 0.455 161 I N 1.175 121.822 120.570 0.129 0.000 2.179 161 I HA -0.236 3.722 4.170 -0.353 0.000 0.242 161 I C 2.512 178.682 176.117 0.088 0.000 1.088 161 I CA 1.099 62.449 61.300 0.082 0.000 1.357 161 I CB -0.218 37.828 38.000 0.077 0.000 1.051 161 I HN -0.081 nan 8.210 nan 0.000 0.409 162 A N 0.577 123.490 122.820 0.154 0.000 1.933 162 A HA -0.126 3.983 4.320 -0.353 0.000 0.218 162 A C 2.486 180.028 177.584 -0.071 0.000 1.175 162 A CA 1.835 53.869 52.037 -0.005 0.000 0.628 162 A CB -0.750 18.256 19.000 0.009 0.000 0.814 162 A HN 0.438 nan 8.150 nan 0.000 0.444 163 A N -0.385 122.422 122.820 -0.022 0.000 1.930 163 A HA 0.073 4.181 4.320 -0.353 0.000 0.215 163 A C 2.072 179.691 177.584 0.058 0.000 1.176 163 A CA 1.236 53.275 52.037 0.002 0.000 0.632 163 A CB -0.468 18.628 19.000 0.160 0.000 0.819 163 A HN 0.463 nan 8.150 nan 0.000 0.445 164 I N -0.516 120.114 120.570 0.100 0.000 2.202 164 I HA -0.200 3.758 4.170 -0.353 0.000 0.242 164 I C 2.595 178.827 176.117 0.192 0.000 1.091 164 I CA 1.664 63.079 61.300 0.191 0.000 1.368 164 I CB -0.539 37.528 38.000 0.111 0.000 1.058 164 I HN 0.222 nan 8.210 nan 0.000 0.410 165 T N 0.830 115.406 114.554 0.036 0.000 2.684 165 T HA -0.232 3.906 4.350 -0.353 0.000 0.267 165 T C 2.051 176.727 174.700 -0.040 0.000 1.036 165 T CA 1.657 63.737 62.100 -0.032 0.000 1.148 165 T CB -0.407 68.388 68.868 -0.121 0.000 0.863 165 T HN 0.484 nan 8.240 nan 0.000 0.436 166 A N 0.861 123.639 122.820 -0.071 0.000 1.877 166 A HA -0.048 4.060 4.320 -0.353 0.000 0.216 166 A C 2.052 179.543 177.584 -0.155 0.000 1.186 166 A CA 1.574 53.541 52.037 -0.117 0.000 0.620 166 A CB -0.936 17.984 19.000 -0.133 0.000 0.822 166 A HN 0.514 nan 8.150 nan 0.000 0.443 167 F N -0.775 118.996 119.950 -0.298 0.000 2.163 167 F HA -0.016 4.277 4.527 -0.390 0.000 0.297 167 F C 1.703 177.231 175.800 -0.454 0.000 1.094 167 F CA 1.223 58.920 58.000 -0.504 0.000 1.290 167 F CB -0.277 38.296 39.000 -0.711 0.000 1.017 167 F HN 0.173 nan 8.300 nan 0.000 0.483 168 F N 0.446 120.206 119.950 -0.316 0.000 2.604 168 F HA 0.076 4.380 4.527 -0.372 0.000 0.298 168 F C 2.488 178.105 175.800 -0.306 0.000 1.131 168 F CA 1.021 58.808 58.000 -0.355 0.000 1.457 168 F CB -0.918 37.949 39.000 -0.222 0.000 1.095 168 F HN 0.078 nan 8.300 nan 0.000 0.574 169 G N -0.232 108.481 108.800 -0.146 0.000 2.430 169 G HA2 -0.148 3.601 3.960 -0.353 0.000 0.216 169 G HA3 -0.148 3.601 3.960 -0.353 0.000 0.216 169 G C 1.688 176.469 174.900 -0.199 0.000 1.146 169 G CA 0.312 45.328 45.100 -0.139 0.000 0.793 169 G HN 0.407 nan 8.290 nan 0.000 0.537 170 L N 0.532 121.563 121.223 -0.320 0.000 2.046 170 L HA -0.023 4.106 4.340 -0.353 0.000 0.208 170 L C 2.813 179.498 176.870 -0.308 0.000 1.077 170 L CA 1.904 56.550 54.840 -0.322 0.000 0.747 170 L CB -0.256 41.547 42.059 -0.428 0.000 0.896 170 L HN 0.294 nan 8.230 nan 0.000 0.432 171 S N 0.009 115.443 115.700 -0.442 0.000 2.368 171 S HA -0.211 4.048 4.470 -0.353 0.000 0.224 171 S C 1.608 176.150 174.600 -0.097 0.000 1.029 171 S CA 1.890 59.945 58.200 -0.242 0.000 0.988 171 S CB -0.552 62.440 63.200 -0.347 0.000 0.838 171 S HN 0.660 nan 8.310 nan 0.000 0.462 172 N N 0.409 119.063 118.700 -0.077 0.000 2.120 172 N HA -0.044 4.485 4.740 -0.353 0.000 0.188 172 N C 1.026 176.511 175.510 -0.041 0.000 1.024 172 N CA 0.698 53.735 53.050 -0.023 0.000 0.852 172 N CB -0.079 38.391 38.487 -0.028 0.000 1.003 172 N HN 0.335 nan 8.380 nan 0.000 0.424 176 N N 0.948 119.644 118.700 -0.007 0.000 2.142 176 N HA -0.065 4.463 4.740 -0.353 0.000 0.186 176 N C 1.595 177.107 175.510 0.003 0.000 1.023 176 N CA 2.168 55.221 53.050 0.005 0.000 0.852 176 N CB -0.487 38.000 38.487 -0.001 0.000 0.998 176 N HN 0.529 nan 8.380 nan 0.000 0.424 177 T N 1.738 116.287 114.554 -0.009 0.000 2.788 177 T HA -0.051 4.087 4.350 -0.353 0.000 0.268 177 T C 1.781 176.511 174.700 0.051 0.000 1.044 177 T CA 0.962 63.069 62.100 0.011 0.000 1.139 177 T CB -0.134 68.730 68.868 -0.006 0.000 0.867 177 T HN 0.467 nan 8.240 nan 0.000 0.454 178 I N -1.027 119.563 120.570 0.033 0.000 3.883 178 I HA 0.475 4.433 4.170 -0.353 0.000 0.326 178 I C 0.988 177.141 176.117 0.060 0.000 1.283 178 I CA -0.223 61.136 61.300 0.098 0.000 1.161 178 I CB -0.869 37.160 38.000 0.048 0.000 1.012 178 I HN 0.255 nan 8.210 nan 0.000 0.421 182 P HA 0.253 nan 4.420 nan 0.000 0.282 182 P C -1.220 176.410 177.300 0.549 0.000 1.249 182 P CA -0.573 62.938 63.100 0.686 0.000 0.806 182 P CB 0.692 32.569 31.700 0.294 0.000 0.984 183 N N 1.300 120.320 118.700 0.533 0.000 2.518 183 N HA 0.036 4.565 4.740 -0.353 0.000 0.266 183 N C 0.792 176.401 175.510 0.165 0.000 1.196 183 N CA -0.001 53.158 53.050 0.183 0.000 0.947 183 N CB -0.214 38.165 38.487 -0.180 0.000 1.098 183 N HN 0.306 nan 8.380 nan 0.000 0.450 184 D N 1.221 121.657 120.400 0.061 0.000 2.228 184 D HA -0.168 4.260 4.640 -0.353 0.000 0.203 184 D C 1.053 177.376 176.300 0.038 0.000 0.988 184 D CA 1.323 55.367 54.000 0.074 0.000 0.864 184 D CB 0.027 40.791 40.800 -0.061 0.000 0.928 184 D HN 0.594 nan 8.370 nan 0.000 0.469 185 E N -0.434 119.583 120.200 -0.306 0.000 2.077 185 E HA -0.123 4.015 4.350 -0.353 0.000 0.193 185 E C 1.798 178.269 176.600 -0.215 0.000 0.989 185 E CA 0.623 56.760 56.400 -0.439 0.000 0.800 185 E CB -0.324 28.717 29.700 -1.097 0.000 0.746 185 E HN 0.321 nan 8.360 nan 0.000 0.452 186 F N -0.628 119.282 119.950 -0.065 0.000 2.269 186 F HA -0.067 4.251 4.527 -0.349 0.000 0.301 186 F C 1.640 177.372 175.800 -0.113 0.000 1.082 186 F CA 0.610 58.555 58.000 -0.090 0.000 1.360 186 F CB -0.543 38.339 39.000 -0.197 0.000 1.041 186 F HN 0.009 nan 8.300 nan 0.000 0.512 187 F N -0.586 119.429 119.950 0.108 0.000 2.171 187 F HA -0.091 4.226 4.527 -0.350 0.000 0.300 187 F C 1.332 177.151 175.800 0.031 0.000 1.090 187 F CA 0.687 58.719 58.000 0.054 0.000 1.293 187 F CB -0.456 38.559 39.000 0.024 0.000 1.013 187 F HN -0.096 nan 8.300 nan 0.000 0.486 191 R N 0.026 120.547 120.500 0.035 0.000 2.235 191 R HA 0.210 4.339 4.340 -0.353 0.000 0.213 191 R C 0.044 176.362 176.300 0.030 0.000 1.059 191 R CA 0.744 56.863 56.100 0.033 0.000 0.997 191 R CB 0.380 30.703 30.300 0.038 0.000 0.884 191 R HN 0.232 nan 8.270 nan 0.000 0.462 192 V N 3.402 123.335 119.914 0.031 0.000 2.482 192 V HA 0.249 4.157 4.120 -0.353 0.000 0.295 192 V C -2.040 174.072 176.094 0.029 0.000 1.026 192 V CA -1.809 60.508 62.300 0.028 0.000 0.856 192 V CB 1.879 33.718 31.823 0.026 0.000 1.001 192 V HN 0.088 nan 8.190 nan 0.000 0.424 193 P HA 0.619 nan 4.420 nan 0.000 0.276 193 P C 0.007 177.324 177.300 0.029 0.000 1.252 193 P CA 0.230 63.348 63.100 0.031 0.000 0.802 193 P CB 0.794 32.512 31.700 0.030 0.000 1.035 194 K N 0.000 120.418 120.400 0.031 0.000 2.780 194 K HA 0.000 4.108 4.320 -0.353 0.000 0.191 194 K CA 0.000 56.304 56.287 0.028 0.000 0.838 194 K CB 0.000 32.515 32.500 0.025 0.000 1.064 194 K HN 0.000 nan 8.250 nan 0.000 0.543