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 1ed1_1_A DATA FIRST_RESID 6 DATA SEQUENCE SVLSGKKADE LEKIRLRPGG KKKYMLKHVV WAANELDRFG LAESLLENKE DATA SEQUENCE GCQKILSVLA PLVPTGSENL KSLYNTVCVI WCIHAEEKVK HTEEAKQIVQ DATA SEQUENCE RHLVVETGTA ETMP 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.624 174.600 0.040 0.000 1.055 6 S CA 0.000 58.222 58.200 0.037 0.000 1.107 6 S CB 0.000 63.228 63.200 0.046 0.000 0.593 7 V N 2.683 122.628 119.914 0.052 0.000 3.129 7 V HA 0.399 4.519 4.120 0.001 0.000 0.259 7 V C 0.296 176.437 176.094 0.079 0.000 1.116 7 V CA 0.881 63.219 62.300 0.064 0.000 1.127 7 V CB -0.270 31.599 31.823 0.078 0.000 0.742 7 V HN 0.356 nan 8.190 nan 0.000 0.474 8 L N 0.314 121.572 121.223 0.058 0.000 2.322 8 L HA 0.440 4.780 4.340 0.001 0.000 0.279 8 L C 0.784 177.672 176.870 0.030 0.000 1.036 8 L CA -0.225 54.640 54.840 0.043 0.000 0.807 8 L CB 1.775 43.827 42.059 -0.012 0.000 1.226 8 L HN 0.214 nan 8.230 nan 0.000 0.433 9 S N 1.156 116.873 115.700 0.029 0.000 2.633 9 S HA 0.185 4.656 4.470 0.001 0.000 0.257 9 S C 1.258 175.861 174.600 0.005 0.000 1.265 9 S CA -0.085 58.125 58.200 0.017 0.000 0.980 9 S CB 0.856 64.066 63.200 0.017 0.000 1.017 9 S HN 0.772 nan 8.310 nan 0.000 0.577 10 G N 0.557 109.359 108.800 0.003 0.000 2.480 10 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 10 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 10 G C 1.275 176.171 174.900 -0.006 0.000 1.200 10 G CA 1.040 46.140 45.100 0.000 0.000 0.782 10 G HN 0.779 nan 8.290 nan 0.000 0.554 11 K N 0.531 120.924 120.400 -0.011 0.000 2.211 11 K HA -0.021 4.299 4.320 0.001 0.000 0.203 11 K C 2.396 178.977 176.600 -0.031 0.000 1.050 11 K CA 1.007 57.283 56.287 -0.019 0.000 0.945 11 K CB -0.116 32.372 32.500 -0.020 0.000 0.732 11 K HN 0.239 nan 8.250 nan 0.000 0.451 12 K N -0.248 120.130 120.400 -0.037 0.000 2.167 12 K HA -0.014 4.307 4.320 0.001 0.000 0.203 12 K C 2.008 178.571 176.600 -0.062 0.000 1.052 12 K CA 0.896 57.140 56.287 -0.071 0.000 0.956 12 K CB 0.046 32.492 32.500 -0.091 0.000 0.735 12 K HN 0.127 nan 8.250 nan 0.000 0.451 13 A N 1.698 124.501 122.820 -0.029 0.000 1.969 13 A HA -0.164 4.157 4.320 0.001 0.000 0.218 13 A C 1.451 179.034 177.584 -0.001 0.000 1.169 13 A CA 1.584 53.617 52.037 -0.008 0.000 0.635 13 A CB -0.231 18.774 19.000 0.009 0.000 0.810 13 A HN 0.147 nan 8.150 nan 0.000 0.445 14 D N -0.023 120.373 120.400 -0.007 0.000 2.144 14 D HA -0.107 4.533 4.640 0.001 0.000 0.200 14 D C 1.827 178.122 176.300 -0.008 0.000 0.978 14 D CA 1.073 55.071 54.000 -0.003 0.000 0.833 14 D CB -0.222 40.574 40.800 -0.006 0.000 0.961 14 D HN 0.403 nan 8.370 nan 0.000 0.470 15 E N 0.843 121.026 120.200 -0.028 0.000 2.106 15 E HA -0.100 4.250 4.350 0.001 0.000 0.192 15 E C 2.274 178.851 176.600 -0.038 0.000 0.984 15 E CA -0.008 56.367 56.400 -0.041 0.000 0.806 15 E CB -0.359 29.299 29.700 -0.070 0.000 0.750 15 E HN 0.284 nan 8.360 nan 0.000 0.458 16 L N 1.334 122.533 121.223 -0.041 0.000 2.012 16 L HA -0.210 4.131 4.340 0.001 0.000 0.210 16 L C 1.768 178.672 176.870 0.057 0.000 1.073 16 L CA 1.798 56.621 54.840 -0.028 0.000 0.748 16 L CB -0.369 41.686 42.059 -0.007 0.000 0.891 16 L HN 0.128 nan 8.230 nan 0.000 0.431 17 E N -0.379 119.859 120.200 0.063 0.000 2.463 17 E HA -0.209 4.142 4.350 0.001 0.000 0.201 17 E C 1.618 178.259 176.600 0.070 0.000 1.045 17 E CA 0.647 57.097 56.400 0.084 0.000 0.872 17 E CB 0.114 29.851 29.700 0.060 0.000 0.797 17 E HN 0.539 nan 8.360 nan 0.000 0.538 18 K N 0.132 120.562 120.400 0.049 0.000 2.367 18 K HA 0.163 4.484 4.320 0.001 0.000 0.194 18 K C 0.299 176.933 176.600 0.057 0.000 1.027 18 K CA 0.084 56.395 56.287 0.040 0.000 1.075 18 K CB 0.620 33.129 32.500 0.015 0.000 0.845 18 K HN 0.060 nan 8.250 nan 0.000 0.529 19 I N 2.146 122.770 120.570 0.090 0.000 2.342 19 I HA 0.137 4.307 4.170 0.001 0.000 0.291 19 I C 0.098 176.356 176.117 0.234 0.000 1.010 19 I CA -0.635 60.745 61.300 0.132 0.000 1.308 19 I CB 1.024 39.069 38.000 0.074 0.000 1.400 19 I HN -0.082 nan 8.210 nan 0.000 0.488 20 R N 4.860 125.473 120.500 0.188 0.000 2.539 20 R HA 0.271 4.611 4.340 0.001 0.000 0.275 20 R C 0.968 177.352 176.300 0.140 0.000 1.077 20 R CA -0.447 55.735 56.100 0.136 0.000 1.097 20 R CB 0.857 31.232 30.300 0.124 0.000 1.018 20 R HN 0.637 nan 8.270 nan 0.000 0.483 21 L N 1.618 122.785 121.223 -0.094 0.000 2.093 21 L HA -0.088 4.253 4.340 0.001 0.000 0.208 21 L C 0.747 177.576 176.870 -0.068 0.000 1.085 21 L CA 1.487 56.169 54.840 -0.263 0.000 0.755 21 L CB -0.192 41.608 42.059 -0.432 0.000 0.904 21 L HN 0.432 nan 8.230 nan 0.000 0.435 22 R N -1.606 118.862 120.500 -0.053 0.000 2.771 22 R HA 0.262 4.602 4.340 0.001 0.000 0.274 22 R C -1.925 174.291 176.300 -0.141 0.000 0.987 22 R CA -1.770 54.278 56.100 -0.086 0.000 0.908 22 R CB 1.402 31.646 30.300 -0.092 0.000 1.213 22 R HN -0.334 nan 8.270 nan 0.000 0.468 23 P HA -0.189 nan 4.420 nan 0.000 0.216 23 P C 1.070 178.270 177.300 -0.166 0.000 1.150 23 P CA 1.548 64.334 63.100 -0.523 0.000 0.843 23 P CB 0.249 31.604 31.700 -0.575 0.000 0.787 24 G N -0.659 108.070 108.800 -0.118 0.000 2.425 24 G HA2 0.020 3.981 3.960 0.001 0.000 0.213 24 G HA3 0.020 3.981 3.960 0.001 0.000 0.213 24 G C 0.993 175.873 174.900 -0.034 0.000 1.201 24 G CA 0.557 45.621 45.100 -0.059 0.000 0.799 24 G HN 0.449 nan 8.290 nan 0.000 0.534 25 G N -0.589 108.187 108.800 -0.040 0.000 2.794 25 G HA2 0.249 4.210 3.960 0.001 0.000 0.249 25 G HA3 0.249 4.210 3.960 0.001 0.000 0.249 25 G C 0.622 175.515 174.900 -0.011 0.000 1.236 25 G CA -0.068 45.014 45.100 -0.029 0.000 0.880 25 G HN 0.352 nan 8.290 nan 0.000 0.586 26 K N -0.659 119.734 120.400 -0.013 0.000 2.391 26 K HA 0.079 4.399 4.320 0.001 0.000 0.197 26 K C 0.627 177.224 176.600 -0.006 0.000 1.087 26 K CA -0.043 56.243 56.287 -0.002 0.000 1.012 26 K CB 0.508 33.007 32.500 -0.001 0.000 0.925 26 K HN 0.298 nan 8.250 nan 0.000 0.547 27 K N 2.086 122.472 120.400 -0.024 0.000 2.401 27 K HA 0.101 4.421 4.320 0.001 0.000 0.278 27 K C -0.206 176.365 176.600 -0.050 0.000 1.018 27 K CA 0.582 56.848 56.287 -0.035 0.000 0.981 27 K CB 0.747 33.214 32.500 -0.055 0.000 0.933 27 K HN -0.058 nan 8.250 nan 0.000 0.477 28 K N 1.602 121.987 120.400 -0.025 0.000 2.352 28 K HA 0.289 4.609 4.320 0.001 0.000 0.240 28 K C -0.828 175.756 176.600 -0.027 0.000 1.017 28 K CA -0.966 55.319 56.287 -0.003 0.000 0.851 28 K CB 0.838 33.377 32.500 0.065 0.000 1.261 28 K HN 0.274 nan 8.250 nan 0.000 0.451 29 Y N 1.303 121.593 120.300 -0.015 0.000 2.497 29 Y HA 0.071 4.622 4.550 0.000 0.000 0.334 29 Y C 0.657 176.667 175.900 0.184 0.000 1.199 29 Y CA 0.532 58.647 58.100 0.025 0.000 1.425 29 Y CB 0.502 38.946 38.460 -0.027 0.000 1.291 29 Y HN 0.178 nan 8.280 nan 0.000 0.562 30 M N 1.908 121.826 119.600 0.529 0.000 2.719 30 M HA 0.144 4.624 4.480 0.001 0.000 0.291 30 M C 0.219 176.647 176.300 0.212 0.000 1.264 30 M CA -0.946 54.504 55.300 0.251 0.000 0.811 30 M CB 1.299 33.961 32.600 0.103 0.000 1.756 30 M HN 0.466 nan 8.290 nan 0.000 0.464 31 L N 1.726 123.012 121.223 0.105 0.000 2.131 31 L HA -0.164 4.176 4.340 0.001 0.000 0.210 31 L C 2.340 179.251 176.870 0.069 0.000 1.092 31 L CA 1.997 56.889 54.840 0.087 0.000 0.759 31 L CB -1.217 40.874 42.059 0.054 0.000 0.903 31 L HN 0.736 nan 8.230 nan 0.000 0.435 32 K N -1.773 118.615 120.400 -0.020 0.000 2.211 32 K HA -0.210 4.110 4.320 0.001 0.000 0.204 32 K C 1.807 178.379 176.600 -0.047 0.000 1.047 32 K CA 1.830 58.071 56.287 -0.077 0.000 0.935 32 K CB -0.577 31.801 32.500 -0.202 0.000 0.728 32 K HN 0.369 nan 8.250 nan 0.000 0.452 33 H N 0.224 119.383 119.070 0.149 0.000 2.436 33 H HA 0.014 4.570 4.556 0.001 0.000 0.294 33 H C 2.017 177.529 175.328 0.307 0.000 1.048 33 H CA 1.189 57.367 56.048 0.217 0.000 1.353 33 H CB 0.272 30.176 29.762 0.236 0.000 1.414 33 H HN -0.041 nan 8.280 nan 0.000 0.536 34 V N -0.014 120.090 119.914 0.318 0.000 2.453 34 V HA -0.182 3.938 4.120 0.001 0.000 0.247 34 V C 2.252 178.462 176.094 0.193 0.000 1.048 34 V CA 1.149 63.588 62.300 0.232 0.000 1.049 34 V CB -0.294 31.620 31.823 0.152 0.000 0.672 34 V HN 0.254 nan 8.190 nan 0.000 0.457 35 V N -0.969 119.047 119.914 0.169 0.000 2.307 35 V HA -0.274 3.846 4.120 0.001 0.000 0.245 35 V C 2.026 178.213 176.094 0.154 0.000 1.045 35 V CA 2.332 64.707 62.300 0.124 0.000 1.024 35 V CB -0.723 31.157 31.823 0.095 0.000 0.651 35 V HN 0.795 nan 8.190 nan 0.000 0.449 36 W N 1.013 122.337 121.300 0.041 0.000 2.363 36 W HA -0.175 4.485 4.660 0.001 0.000 0.296 36 W C 2.399 178.960 176.519 0.070 0.000 1.212 36 W CA 2.000 59.372 57.345 0.045 0.000 1.260 36 W CB -0.228 29.264 29.460 0.052 0.000 1.131 36 W HN 0.190 nan 8.180 nan 0.000 0.530 37 A N 0.706 123.717 122.820 0.318 0.000 1.902 37 A HA -0.061 4.259 4.320 0.001 0.000 0.217 37 A C 2.093 179.648 177.584 -0.047 0.000 1.181 37 A CA 2.407 54.523 52.037 0.133 0.000 0.623 37 A CB -1.538 17.638 19.000 0.293 0.000 0.818 37 A HN 0.412 nan 8.150 nan 0.000 0.443 38 A N 0.413 123.236 122.820 0.005 0.000 1.908 38 A HA -0.241 4.079 4.320 0.001 0.000 0.218 38 A C 1.895 179.420 177.584 -0.098 0.000 1.181 38 A CA 1.788 53.812 52.037 -0.021 0.000 0.627 38 A CB -0.912 18.096 19.000 0.014 0.000 0.818 38 A HN 0.741 nan 8.150 nan 0.000 0.445 39 N N -1.065 117.539 118.700 -0.159 0.000 2.244 39 N HA -0.146 4.594 4.740 0.001 0.000 0.183 39 N C 1.761 177.063 175.510 -0.346 0.000 1.016 39 N CA 1.119 54.037 53.050 -0.220 0.000 0.866 39 N CB -0.093 38.262 38.487 -0.220 0.000 0.980 39 N HN 0.504 nan 8.380 nan 0.000 0.430 40 E N 1.263 121.150 120.200 -0.521 0.000 2.152 40 E HA -0.000 4.350 4.350 0.001 0.000 0.192 40 E C 1.803 178.199 176.600 -0.340 0.000 0.983 40 E CA 0.565 56.602 56.400 -0.606 0.000 0.818 40 E CB -0.035 29.096 29.700 -0.948 0.000 0.758 40 E HN 0.296 nan 8.360 nan 0.000 0.467 41 L N 0.369 121.497 121.223 -0.158 0.000 2.056 41 L HA -0.167 4.173 4.340 0.001 0.000 0.207 41 L C 2.181 179.032 176.870 -0.032 0.000 1.078 41 L CA 1.484 56.323 54.840 -0.001 0.000 0.749 41 L CB -0.429 41.642 42.059 0.020 0.000 0.901 41 L HN 0.192 nan 8.230 nan 0.000 0.433 42 D N 0.394 120.736 120.400 -0.098 0.000 2.106 42 D HA -0.269 4.372 4.640 0.001 0.000 0.191 42 D C 2.288 178.513 176.300 -0.125 0.000 0.997 42 D CA 1.353 55.299 54.000 -0.089 0.000 0.834 42 D CB -0.079 40.661 40.800 -0.101 0.000 0.956 42 D HN 0.031 nan 8.370 nan 0.000 0.448 43 R N -0.726 119.620 120.500 -0.255 0.000 2.154 43 R HA -0.159 4.182 4.340 0.001 0.000 0.248 43 R C 1.479 177.583 176.300 -0.327 0.000 1.155 43 R CA 1.173 57.050 56.100 -0.373 0.000 0.979 43 R CB -0.519 29.398 30.300 -0.638 0.000 0.869 43 R HN 0.317 nan 8.270 nan 0.000 0.452 44 F N -0.425 119.497 119.950 -0.046 0.000 2.645 44 F HA 0.249 4.776 4.527 0.001 0.000 0.300 44 F C 1.410 177.199 175.800 -0.017 0.000 1.115 44 F CA 0.101 58.086 58.000 -0.026 0.000 1.355 44 F CB 0.940 39.928 39.000 -0.019 0.000 1.026 44 F HN 0.298 nan 8.300 nan 0.000 0.536 45 G N 1.222 110.085 108.800 0.104 0.000 2.155 45 G HA2 -0.316 3.645 3.960 0.001 0.000 0.257 45 G HA3 -0.316 3.645 3.960 0.001 0.000 0.257 45 G C -0.007 174.930 174.900 0.062 0.000 0.983 45 G CA -0.104 45.036 45.100 0.067 0.000 0.676 45 G HN 0.301 nan 8.290 nan 0.000 0.528 46 L N 0.393 121.661 121.223 0.076 0.000 2.343 46 L HA 0.752 5.092 4.340 0.001 0.000 0.275 46 L C 0.999 177.891 176.870 0.037 0.000 1.056 46 L CA -0.534 54.343 54.840 0.062 0.000 0.804 46 L CB 1.683 43.794 42.059 0.085 0.000 1.203 46 L HN 0.262 nan 8.230 nan 0.000 0.440 47 A N 1.340 124.178 122.820 0.031 0.000 2.409 47 A HA 0.185 4.506 4.320 0.001 0.000 0.267 47 A C 1.029 178.627 177.584 0.023 0.000 1.127 47 A CA -0.334 51.715 52.037 0.020 0.000 0.795 47 A CB 0.088 19.099 19.000 0.017 0.000 1.061 47 A HN 0.937 nan 8.150 nan 0.000 0.502 48 E N 2.467 122.677 120.200 0.015 0.000 2.274 48 E HA -0.169 4.181 4.350 0.001 0.000 0.194 48 E C 1.442 178.058 176.600 0.027 0.000 0.996 48 E CA 1.314 57.727 56.400 0.020 0.000 0.840 48 E CB -0.213 29.493 29.700 0.009 0.000 0.772 48 E HN 0.708 nan 8.360 nan 0.000 0.491 49 S N 1.262 116.973 115.700 0.019 0.000 2.447 49 S HA -0.075 4.395 4.470 0.001 0.000 0.233 49 S C 1.984 176.593 174.600 0.014 0.000 1.006 49 S CA 0.584 58.793 58.200 0.015 0.000 0.957 49 S CB -0.560 62.644 63.200 0.007 0.000 0.773 49 S HN 0.312 nan 8.310 nan 0.000 0.507 50 L N 0.519 121.756 121.223 0.022 0.000 2.265 50 L HA 0.050 4.390 4.340 0.001 0.000 0.215 50 L C 2.161 179.054 176.870 0.038 0.000 1.117 50 L CA 0.784 55.639 54.840 0.024 0.000 0.782 50 L CB -0.597 41.484 42.059 0.037 0.000 0.914 50 L HN 0.349 nan 8.230 nan 0.000 0.441 51 L N -0.586 120.674 121.223 0.062 0.000 2.465 51 L HA -0.122 4.218 4.340 0.001 0.000 0.224 51 L C 2.103 179.061 176.870 0.146 0.000 1.145 51 L CA 0.597 55.506 54.840 0.114 0.000 0.834 51 L CB -0.359 41.768 42.059 0.113 0.000 0.944 51 L HN 0.299 nan 8.230 nan 0.000 0.451 52 E N 0.705 120.925 120.200 0.033 0.000 2.338 52 E HA -0.108 4.242 4.350 0.001 0.000 0.197 52 E C -0.050 176.336 176.600 -0.357 0.000 1.007 52 E CA 0.519 56.898 56.400 -0.035 0.000 0.849 52 E CB 0.039 29.719 29.700 -0.033 0.000 0.774 52 E HN 0.664 nan 8.360 nan 0.000 0.506 53 N N -1.678 116.706 118.700 -0.527 0.000 2.927 53 N HA 0.050 4.791 4.740 0.001 0.000 0.248 53 N C -0.142 175.055 175.510 -0.522 0.000 1.443 53 N CA -0.790 51.763 53.050 -0.829 0.000 0.870 53 N CB 0.819 39.077 38.487 -0.380 0.000 1.444 53 N HN -0.278 nan 8.380 nan 0.000 0.519 54 K N -0.411 119.742 120.400 -0.411 0.000 2.074 54 K HA -0.185 4.136 4.320 0.001 0.000 0.209 54 K C 0.595 177.209 176.600 0.023 0.000 1.048 54 K CA 1.914 58.086 56.287 -0.191 0.000 0.926 54 K CB -0.039 32.290 32.500 -0.284 0.000 0.713 54 K HN 0.563 nan 8.250 nan 0.000 0.444 55 E N -0.524 119.665 120.200 -0.019 0.000 2.072 55 E HA -0.090 4.260 4.350 0.001 0.000 0.191 55 E C 1.909 178.542 176.600 0.055 0.000 0.985 55 E CA 1.331 57.756 56.400 0.040 0.000 0.801 55 E CB -0.493 29.207 29.700 0.001 0.000 0.750 55 E HN 0.507 nan 8.360 nan 0.000 0.452 56 G N 0.031 108.839 108.800 0.013 0.000 2.418 56 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 56 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 56 G C 1.731 176.677 174.900 0.077 0.000 1.158 56 G CA 1.016 46.133 45.100 0.028 0.000 0.771 56 G HN 0.349 nan 8.290 nan 0.000 0.545 57 C N -0.195 119.181 119.300 0.127 0.000 2.440 57 C HA -0.016 4.444 4.460 0.001 0.000 0.278 57 C C 2.767 177.872 174.990 0.192 0.000 1.295 57 C CA 1.113 60.251 59.018 0.199 0.000 1.738 57 C CB -0.732 27.210 27.740 0.337 0.000 1.987 57 C HN 0.604 nan 8.230 nan 0.000 0.492 58 Q N 0.886 120.833 119.800 0.245 0.000 2.124 58 Q HA -0.201 4.139 4.340 0.001 0.000 0.202 58 Q C 2.125 178.165 176.000 0.066 0.000 0.977 58 Q CA 1.490 57.375 55.803 0.136 0.000 0.850 58 Q CB -0.032 28.823 28.738 0.194 0.000 0.901 58 Q HN 0.644 nan 8.270 nan 0.000 0.429 59 K N 0.132 120.575 120.400 0.072 0.000 2.057 59 K HA -0.118 4.202 4.320 0.001 0.000 0.207 59 K C 2.091 178.720 176.600 0.048 0.000 1.049 59 K CA 1.409 57.726 56.287 0.049 0.000 0.931 59 K CB -0.109 32.417 32.500 0.043 0.000 0.714 59 K HN 0.259 nan 8.250 nan 0.000 0.440 60 I N 0.763 121.368 120.570 0.058 0.000 2.179 60 I HA -0.284 3.886 4.170 0.001 0.000 0.242 60 I C 2.040 178.194 176.117 0.063 0.000 1.088 60 I CA 0.841 62.177 61.300 0.061 0.000 1.357 60 I CB -0.223 37.820 38.000 0.071 0.000 1.051 60 I HN 0.079 nan 8.210 nan 0.000 0.409 61 L N 0.773 122.020 121.223 0.040 0.000 2.079 61 L HA -0.209 4.131 4.340 0.001 0.000 0.210 61 L C 2.870 179.800 176.870 0.099 0.000 1.081 61 L CA 2.244 57.114 54.840 0.049 0.000 0.752 61 L CB -1.191 40.813 42.059 -0.093 0.000 0.896 61 L HN 0.388 nan 8.230 nan 0.000 0.433 62 S N -1.245 114.483 115.700 0.047 0.000 2.406 62 S HA -0.112 4.358 4.470 0.001 0.000 0.228 62 S C 1.975 176.592 174.600 0.028 0.000 1.020 62 S CA 1.101 59.321 58.200 0.034 0.000 0.965 62 S CB -0.974 62.238 63.200 0.020 0.000 0.798 62 S HN 0.314 nan 8.310 nan 0.000 0.488 63 V N -0.937 118.995 119.914 0.030 0.000 2.591 63 V HA 0.163 4.283 4.120 0.001 0.000 0.249 63 V C 2.145 178.236 176.094 -0.006 0.000 1.053 63 V CA 0.874 63.179 62.300 0.009 0.000 1.068 63 V CB -0.775 31.054 31.823 0.010 0.000 0.689 63 V HN 0.361 nan 8.190 nan 0.000 0.462 64 L N 1.078 122.321 121.223 0.035 0.000 2.162 64 L HA 0.358 4.699 4.340 0.001 0.000 0.205 64 L C 2.848 179.713 176.870 -0.008 0.000 1.086 64 L CA 1.860 56.721 54.840 0.035 0.000 0.778 64 L CB -1.311 40.852 42.059 0.174 0.000 0.928 64 L HN 0.365 nan 8.230 nan 0.000 0.446 65 A N 0.876 123.718 122.820 0.036 0.000 1.917 65 A HA -0.148 4.172 4.320 0.001 0.000 0.219 65 A C -0.068 177.423 177.584 -0.154 0.000 1.182 65 A CA 2.060 54.026 52.037 -0.119 0.000 0.633 65 A CB -2.026 16.981 19.000 0.011 0.000 0.819 65 A HN 0.403 nan 8.150 nan 0.000 0.448 66 P HA -0.100 nan 4.420 nan 0.000 0.222 66 P C 1.172 178.408 177.300 -0.107 0.000 1.147 66 P CA 0.873 63.920 63.100 -0.088 0.000 0.790 66 P CB -0.186 31.479 31.700 -0.059 0.000 0.780 67 L N -1.390 119.758 121.223 -0.126 0.000 2.492 67 L HA 0.006 4.346 4.340 0.001 0.000 0.223 67 L C 2.531 179.311 176.870 -0.150 0.000 1.132 67 L CA 0.255 55.014 54.840 -0.135 0.000 0.850 67 L CB -0.713 41.246 42.059 -0.166 0.000 0.966 67 L HN -0.196 nan 8.230 nan 0.000 0.454 68 V N 0.992 120.783 119.914 -0.206 0.000 2.295 68 V HA -0.157 3.963 4.120 0.001 0.000 0.246 68 V C 0.068 176.069 176.094 -0.155 0.000 1.049 68 V CA 1.968 64.126 62.300 -0.237 0.000 1.024 68 V CB -1.456 30.087 31.823 -0.467 0.000 0.648 68 V HN 0.355 nan 8.190 nan 0.000 0.447 69 P HA -0.129 nan 4.420 nan 0.000 0.218 69 P C 1.228 178.490 177.300 -0.063 0.000 1.146 69 P CA 2.040 65.086 63.100 -0.090 0.000 0.813 69 P CB -0.163 31.489 31.700 -0.080 0.000 0.778 70 T N -5.508 109.008 114.554 -0.063 0.000 3.182 70 T HA 0.402 4.752 4.350 0.001 0.000 0.277 70 T C 0.820 175.498 174.700 -0.036 0.000 1.013 70 T CA -0.446 61.629 62.100 -0.042 0.000 0.900 70 T CB -0.270 68.575 68.868 -0.038 0.000 1.098 70 T HN -0.007 nan 8.240 nan 0.000 0.543 71 G N 1.817 110.589 108.800 -0.047 0.000 2.467 71 G HA2 0.456 4.416 3.960 0.001 0.000 0.257 71 G HA3 0.456 4.416 3.960 0.001 0.000 0.257 71 G C 0.216 175.124 174.900 0.013 0.000 1.227 71 G CA -0.322 44.760 45.100 -0.030 0.000 0.835 71 G HN 0.570 nan 8.290 nan 0.000 0.556 72 S N 1.008 116.735 115.700 0.045 0.000 2.589 72 S HA 0.119 4.589 4.470 0.001 0.000 0.265 72 S C 1.079 175.740 174.600 0.101 0.000 1.342 72 S CA -0.265 57.983 58.200 0.080 0.000 1.005 72 S CB 1.253 64.526 63.200 0.122 0.000 0.909 72 S HN 0.584 nan 8.310 nan 0.000 0.555 73 E N 1.406 121.667 120.200 0.103 0.000 2.153 73 E HA -0.145 4.206 4.350 0.001 0.000 0.194 73 E C 1.713 178.420 176.600 0.179 0.000 0.988 73 E CA 1.255 57.720 56.400 0.109 0.000 0.811 73 E CB -0.765 28.982 29.700 0.080 0.000 0.746 73 E HN 0.768 nan 8.360 nan 0.000 0.466 74 N N 0.454 119.299 118.700 0.241 0.000 2.188 74 N HA -0.106 4.635 4.740 0.001 0.000 0.184 74 N C 1.833 177.608 175.510 0.442 0.000 1.018 74 N CA 0.237 53.526 53.050 0.397 0.000 0.858 74 N CB 0.021 38.740 38.487 0.387 0.000 0.989 74 N HN 0.057 nan 8.380 nan 0.000 0.426 75 L N 2.113 123.530 121.223 0.323 0.000 2.027 75 L HA -0.120 4.220 4.340 0.001 0.000 0.206 75 L C 1.661 178.668 176.870 0.227 0.000 1.074 75 L CA 1.881 56.864 54.840 0.238 0.000 0.745 75 L CB -0.568 41.521 42.059 0.050 0.000 0.898 75 L HN 0.044 nan 8.230 nan 0.000 0.433 76 K N -0.520 119.987 120.400 0.180 0.000 2.097 76 K HA -0.107 4.213 4.320 0.001 0.000 0.206 76 K C 2.106 178.860 176.600 0.257 0.000 1.049 76 K CA 1.546 57.939 56.287 0.176 0.000 0.933 76 K CB -0.046 32.514 32.500 0.099 0.000 0.717 76 K HN 0.246 nan 8.250 nan 0.000 0.442 77 S N 1.012 116.876 115.700 0.273 0.000 2.383 77 S HA -0.084 4.387 4.470 0.001 0.000 0.227 77 S C 1.728 176.583 174.600 0.425 0.000 1.026 77 S CA 0.763 59.123 58.200 0.267 0.000 0.981 77 S CB -0.136 63.152 63.200 0.148 0.000 0.818 77 S HN 0.183 nan 8.310 nan 0.000 0.472 78 L N 0.732 122.286 121.223 0.552 0.000 2.027 78 L HA -0.021 4.319 4.340 0.001 0.000 0.206 78 L C 1.970 179.042 176.870 0.337 0.000 1.074 78 L CA 1.769 56.910 54.840 0.503 0.000 0.745 78 L CB -0.992 41.298 42.059 0.385 0.000 0.898 78 L HN 0.369 nan 8.230 nan 0.000 0.433 79 Y N 0.498 120.907 120.300 0.181 0.000 2.128 79 Y HA -0.303 4.247 4.550 0.000 0.000 0.284 79 Y C 2.363 178.330 175.900 0.112 0.000 1.154 79 Y CA 2.196 60.362 58.100 0.108 0.000 1.149 79 Y CB -0.276 38.219 38.460 0.059 0.000 0.976 79 Y HN 0.364 nan 8.280 nan 0.000 0.505 80 N N -0.619 118.216 118.700 0.224 0.000 2.120 80 N HA -0.151 4.590 4.740 0.001 0.000 0.188 80 N C 1.778 177.337 175.510 0.082 0.000 1.024 80 N CA 1.998 55.131 53.050 0.139 0.000 0.852 80 N CB -0.844 37.770 38.487 0.212 0.000 1.003 80 N HN 0.372 nan 8.380 nan 0.000 0.424 81 T N 0.739 115.396 114.554 0.172 0.000 2.777 81 T HA -0.020 4.330 4.350 0.001 0.000 0.266 81 T C 2.104 176.826 174.700 0.037 0.000 1.040 81 T CA 0.704 62.902 62.100 0.164 0.000 1.141 81 T CB -0.231 68.848 68.868 0.352 0.000 0.868 81 T HN -0.021 nan 8.240 nan 0.000 0.444 82 V N 0.797 120.732 119.914 0.035 0.000 2.515 82 V HA -0.180 3.940 4.120 0.001 0.000 0.250 82 V C 2.772 178.842 176.094 -0.041 0.000 1.058 82 V CA 1.116 63.419 62.300 0.005 0.000 1.064 82 V CB -0.791 31.031 31.823 -0.001 0.000 0.675 82 V HN 0.604 nan 8.190 nan 0.000 0.461 83 C N -0.644 118.554 119.300 -0.172 0.000 2.429 83 C HA -0.119 4.341 4.460 0.001 0.000 0.277 83 C C 2.761 177.752 174.990 0.002 0.000 1.262 83 C CA 0.973 59.901 59.018 -0.149 0.000 1.733 83 C CB -0.780 26.820 27.740 -0.233 0.000 2.010 83 C HN 0.442 nan 8.230 nan 0.000 0.483 84 V N 1.015 120.874 119.914 -0.092 0.000 2.295 84 V HA -0.225 3.895 4.120 0.001 0.000 0.246 84 V C 2.124 178.127 176.094 -0.151 0.000 1.049 84 V CA 2.156 64.342 62.300 -0.191 0.000 1.024 84 V CB -0.499 31.002 31.823 -0.537 0.000 0.648 84 V HN 0.535 nan 8.190 nan 0.000 0.447 85 I N -1.433 119.069 120.570 -0.113 0.000 2.394 85 I HA -0.253 3.917 4.170 0.001 0.000 0.251 85 I C 2.281 178.369 176.117 -0.047 0.000 1.136 85 I CA 1.832 63.060 61.300 -0.121 0.000 1.425 85 I CB -0.340 37.641 38.000 -0.032 0.000 1.079 85 I HN 0.509 nan 8.210 nan 0.000 0.425 86 W N 1.204 122.459 121.300 -0.075 0.000 2.355 86 W HA -0.244 4.416 4.660 0.000 0.000 0.309 86 W C 2.600 179.087 176.519 -0.054 0.000 1.206 86 W CA 1.450 58.787 57.345 -0.013 0.000 1.284 86 W CB -0.356 29.077 29.460 -0.044 0.000 1.145 86 W HN 0.094 nan 8.180 nan 0.000 0.502 87 C N 0.406 119.817 119.300 0.185 0.000 2.413 87 C HA -0.201 4.259 4.460 0.001 0.000 0.277 87 C C 2.690 177.548 174.990 -0.220 0.000 1.265 87 C CA 1.289 60.303 59.018 -0.006 0.000 1.752 87 C CB -1.491 26.308 27.740 0.098 0.000 1.998 87 C HN 0.385 nan 8.230 nan 0.000 0.489 88 I N -0.268 120.165 120.570 -0.228 0.000 2.226 88 I HA -0.226 3.944 4.170 0.001 0.000 0.245 88 I C 2.551 178.478 176.117 -0.318 0.000 1.100 88 I CA 1.412 62.543 61.300 -0.282 0.000 1.374 88 I CB -0.601 37.203 38.000 -0.327 0.000 1.057 88 I HN 0.483 nan 8.210 nan 0.000 0.413 89 H N 0.384 119.290 119.070 -0.273 0.000 2.428 89 H HA 0.087 4.643 4.556 0.001 0.000 0.296 89 H C 2.176 177.260 175.328 -0.408 0.000 1.062 89 H CA 1.330 57.199 56.048 -0.300 0.000 1.350 89 H CB -0.059 29.526 29.762 -0.295 0.000 1.403 89 H HN 0.323 nan 8.280 nan 0.000 0.533 90 A N 0.488 122.991 122.820 -0.527 0.000 2.238 90 A HA 0.005 4.325 4.320 0.001 0.000 0.208 90 A C 0.631 177.988 177.584 -0.378 0.000 1.177 90 A CA 0.307 51.962 52.037 -0.636 0.000 0.804 90 A CB -0.131 18.093 19.000 -1.294 0.000 0.823 90 A HN 0.467 nan 8.150 nan 0.000 0.482 91 E N 0.017 120.054 120.200 -0.271 0.000 2.513 91 E HA -0.144 4.207 4.350 0.001 0.000 0.257 91 E C -0.923 175.591 176.600 -0.144 0.000 1.098 91 E CA 0.574 56.871 56.400 -0.172 0.000 0.752 91 E CB -1.131 28.491 29.700 -0.131 0.000 1.324 91 E HN 0.637 nan 8.360 nan 0.000 0.403 92 E N 1.194 121.300 120.200 -0.157 0.000 2.146 92 E HA 0.201 4.552 4.350 0.001 0.000 0.282 92 E C -0.053 176.518 176.600 -0.049 0.000 0.989 92 E CA -0.541 55.814 56.400 -0.075 0.000 0.799 92 E CB 1.361 31.047 29.700 -0.023 0.000 1.088 92 E HN 0.071 nan 8.360 nan 0.000 0.397 93 K N 2.300 122.680 120.400 -0.033 0.000 2.383 93 K HA 0.164 4.484 4.320 0.001 0.000 0.286 93 K C -0.477 176.102 176.600 -0.036 0.000 1.051 93 K CA -0.289 55.976 56.287 -0.037 0.000 0.974 93 K CB 0.291 32.773 32.500 -0.029 0.000 0.968 93 K HN 0.299 nan 8.250 nan 0.000 0.475 94 V N 1.198 121.080 119.914 -0.054 0.000 2.823 94 V HA 0.421 4.542 4.120 0.001 0.000 0.312 94 V C 0.626 176.654 176.094 -0.110 0.000 1.072 94 V CA -0.909 61.341 62.300 -0.085 0.000 0.937 94 V CB 1.944 33.726 31.823 -0.068 0.000 1.013 94 V HN 0.840 nan 8.190 nan 0.000 0.430 95 K N 1.097 121.371 120.400 -0.211 0.000 2.166 95 K HA 0.211 4.532 4.320 0.001 0.000 0.201 95 K C 0.573 177.109 176.600 -0.107 0.000 1.052 95 K CA 1.020 57.194 56.287 -0.188 0.000 0.969 95 K CB 0.164 32.520 32.500 -0.240 0.000 0.761 95 K HN 1.045 nan 8.250 nan 0.000 0.459 96 H N -4.034 115.068 119.070 0.053 0.000 2.905 96 H HA 0.035 4.591 4.556 0.000 0.000 0.280 96 H C 0.465 175.849 175.328 0.093 0.000 1.445 96 H CA -0.093 56.006 56.048 0.085 0.000 1.165 96 H CB 1.126 30.925 29.762 0.061 0.000 1.857 96 H HN -0.094 nan 8.280 nan 0.000 0.567 97 T N -1.061 113.722 114.554 0.382 0.000 2.915 97 T HA -0.121 4.230 4.350 0.001 0.000 0.269 97 T C 1.117 175.971 174.700 0.255 0.000 1.071 97 T CA 1.687 63.950 62.100 0.271 0.000 1.132 97 T CB -0.236 68.805 68.868 0.287 0.000 0.878 97 T HN 0.447 nan 8.240 nan 0.000 0.479 98 E N 1.135 121.568 120.200 0.389 0.000 2.106 98 E HA -0.073 4.277 4.350 0.001 0.000 0.192 98 E C 2.058 178.795 176.600 0.230 0.000 0.984 98 E CA 1.069 57.629 56.400 0.267 0.000 0.806 98 E CB -0.374 29.436 29.700 0.184 0.000 0.750 98 E HN 0.779 nan 8.360 nan 0.000 0.458 99 E N 0.286 120.612 120.200 0.211 0.000 2.152 99 E HA -0.088 4.263 4.350 0.001 0.000 0.192 99 E C 1.911 178.533 176.600 0.036 0.000 0.983 99 E CA 0.731 57.145 56.400 0.023 0.000 0.818 99 E CB 0.077 29.642 29.700 -0.225 0.000 0.758 99 E HN 0.163 nan 8.360 nan 0.000 0.467 100 A N 1.452 124.299 122.820 0.046 0.000 1.902 100 A HA -0.206 4.114 4.320 0.001 0.000 0.217 100 A C 1.998 179.610 177.584 0.046 0.000 1.181 100 A CA 1.628 53.693 52.037 0.046 0.000 0.623 100 A CB -0.311 18.698 19.000 0.015 0.000 0.818 100 A HN 0.121 nan 8.150 nan 0.000 0.443 101 K N -0.524 119.914 120.400 0.063 0.000 2.097 101 K HA -0.165 4.155 4.320 0.001 0.000 0.206 101 K C 2.258 178.893 176.600 0.057 0.000 1.049 101 K CA 1.648 57.977 56.287 0.070 0.000 0.933 101 K CB -0.178 32.406 32.500 0.139 0.000 0.717 101 K HN 0.613 nan 8.250 nan 0.000 0.442 102 Q N 0.372 120.211 119.800 0.064 0.000 2.172 102 Q HA -0.028 4.313 4.340 0.001 0.000 0.200 102 Q C 1.997 178.023 176.000 0.044 0.000 0.964 102 Q CA 0.983 56.816 55.803 0.050 0.000 0.855 102 Q CB 0.072 28.844 28.738 0.056 0.000 0.918 102 Q HN 0.327 nan 8.270 nan 0.000 0.444 103 I N -0.424 120.190 120.570 0.074 0.000 2.500 103 I HA -0.187 3.983 4.170 0.001 0.000 0.252 103 I C 2.005 178.183 176.117 0.101 0.000 1.142 103 I CA 0.479 61.873 61.300 0.157 0.000 1.451 103 I CB -0.003 38.139 38.000 0.238 0.000 1.093 103 I HN 0.040 nan 8.210 nan 0.000 0.430 104 V N 0.493 120.357 119.914 -0.083 0.000 2.358 104 V HA -0.310 3.810 4.120 0.001 0.000 0.246 104 V C 2.447 178.410 176.094 -0.218 0.000 1.047 104 V CA 1.868 63.935 62.300 -0.388 0.000 1.035 104 V CB -0.450 31.134 31.823 -0.399 0.000 0.658 104 V HN 0.466 nan 8.190 nan 0.000 0.452 105 Q N -0.357 119.394 119.800 -0.082 0.000 2.079 105 Q HA -0.238 4.102 4.340 0.001 0.000 0.200 105 Q C 2.460 178.424 176.000 -0.060 0.000 0.974 105 Q CA 1.893 57.668 55.803 -0.048 0.000 0.840 105 Q CB -0.144 28.589 28.738 -0.008 0.000 0.898 105 Q HN 0.554 nan 8.270 nan 0.000 0.430 106 R N -0.800 119.663 120.500 -0.061 0.000 2.083 106 R HA -0.186 4.154 4.340 0.001 0.000 0.237 106 R C 1.855 178.025 176.300 -0.216 0.000 1.137 106 R CA 1.807 57.825 56.100 -0.136 0.000 0.951 106 R CB -0.128 30.073 30.300 -0.165 0.000 0.851 106 R HN 0.443 nan 8.270 nan 0.000 0.434 107 H N -0.741 118.306 119.070 -0.038 0.000 2.497 107 H HA 0.066 4.622 4.556 0.001 0.000 0.282 107 H C 1.702 176.996 175.328 -0.056 0.000 1.003 107 H CA 1.180 57.224 56.048 -0.006 0.000 1.307 107 H CB 0.499 30.324 29.762 0.105 0.000 1.437 107 H HN 0.264 nan 8.280 nan 0.000 0.544 108 L N 0.152 121.347 121.223 -0.047 0.000 2.749 108 L HA 0.185 4.525 4.340 0.001 0.000 0.242 108 L C 0.146 176.983 176.870 -0.056 0.000 1.103 108 L CA 0.120 54.913 54.840 -0.079 0.000 0.906 108 L CB 1.163 43.088 42.059 -0.223 0.000 1.228 108 L HN -0.151 nan 8.230 nan 0.000 0.517 109 V N 1.505 121.387 119.914 -0.053 0.000 2.347 109 V HA 0.271 4.392 4.120 0.001 0.000 0.280 109 V C 0.140 176.217 176.094 -0.028 0.000 1.021 109 V CA -0.533 61.746 62.300 -0.034 0.000 0.847 109 V CB 2.079 33.886 31.823 -0.027 0.000 0.990 109 V HN -0.157 nan 8.190 nan 0.000 0.444 110 V N 5.082 124.983 119.914 -0.021 0.000 2.461 110 V HA 0.269 4.389 4.120 0.001 0.000 0.275 110 V C 0.390 176.474 176.094 -0.018 0.000 1.047 110 V CA -0.384 61.905 62.300 -0.018 0.000 0.955 110 V CB 1.343 33.159 31.823 -0.012 0.000 0.988 110 V HN 0.864 nan 8.190 nan 0.000 0.471 111 E N 2.981 123.170 120.200 -0.018 0.000 2.081 111 E HA 0.299 4.650 4.350 0.001 0.000 0.276 111 E C -0.314 176.278 176.600 -0.014 0.000 0.950 111 E CA -0.269 56.121 56.400 -0.017 0.000 0.776 111 E CB 1.193 30.883 29.700 -0.017 0.000 1.094 111 E HN 0.787 nan 8.360 nan 0.000 0.402 112 T N 0.883 115.429 114.554 -0.014 0.000 3.400 112 T HA 0.515 4.865 4.350 0.001 0.000 0.362 112 T C 0.784 175.477 174.700 -0.012 0.000 1.823 112 T CA -0.182 61.911 62.100 -0.012 0.000 1.374 112 T CB 0.660 69.522 68.868 -0.011 0.000 1.130 112 T HN 0.677 nan 8.240 nan 0.000 0.744 113 G N 2.517 111.311 108.800 -0.011 0.000 2.514 113 G HA2 -0.275 3.685 3.960 0.001 0.000 0.265 113 G HA3 -0.275 3.685 3.960 0.001 0.000 0.265 113 G C 0.286 175.178 174.900 -0.013 0.000 1.150 113 G CA -0.188 44.906 45.100 -0.011 0.000 0.959 113 G HN 0.760 nan 8.290 nan 0.000 0.556 114 T N 2.037 116.584 114.554 -0.013 0.000 3.843 114 T HA 0.638 4.989 4.350 0.001 0.000 0.227 114 T C 0.206 174.896 174.700 -0.017 0.000 1.043 114 T CA 1.274 63.365 62.100 -0.015 0.000 1.012 114 T CB -0.437 68.423 68.868 -0.013 0.000 1.279 114 T HN 1.906 nan 8.240 nan 0.000 0.730 115 A N 1.649 124.458 122.820 -0.018 0.000 2.500 115 A HA 0.510 4.831 4.320 0.001 0.000 0.291 115 A C -0.799 176.772 177.584 -0.022 0.000 1.048 115 A CA -0.894 51.130 52.037 -0.021 0.000 0.791 115 A CB 1.213 20.202 19.000 -0.018 0.000 1.309 115 A HN 0.408 nan 8.150 nan 0.000 0.397 116 E N 1.409 121.593 120.200 -0.027 0.000 2.113 116 E HA 0.496 4.847 4.350 0.001 0.000 0.273 116 E C -0.656 175.927 176.600 -0.028 0.000 0.924 116 E CA -0.347 56.036 56.400 -0.028 0.000 0.764 116 E CB 2.026 31.707 29.700 -0.033 0.000 1.104 116 E HN 0.524 nan 8.360 nan 0.000 0.406 117 T N 2.847 117.388 114.554 -0.022 0.000 2.863 117 T HA 0.481 4.831 4.350 0.001 0.000 0.285 117 T C -0.758 173.933 174.700 -0.016 0.000 1.009 117 T CA -0.663 61.426 62.100 -0.019 0.000 0.989 117 T CB 0.925 69.784 68.868 -0.015 0.000 1.004 117 T HN 0.408 nan 8.240 nan 0.000 0.455 118 M N 5.711 125.303 119.600 -0.013 0.000 2.044 118 M HA 0.413 4.894 4.480 0.001 0.000 0.333 118 M C -2.137 174.160 176.300 -0.005 0.000 1.004 118 M CA -1.811 53.482 55.300 -0.012 0.000 0.954 118 M CB 1.199 33.795 32.600 -0.007 0.000 1.468 118 M HN 0.531 nan 8.290 nan 0.000 0.414 119 P HA 0.000 nan 4.420 nan 0.000 0.216 119 P CA 0.000 63.103 63.100 0.005 0.000 0.800 119 P CB 0.000 31.705 31.700 0.009 0.000 0.726