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 1nf4_1_E DATA FIRST_RESID 4 DATA SEQUENCE NREDRKAKVI EVLNKARAME LHAIHQYMNQ HYSLDDMDYG ELAANMKLIA DATA SEQUENCE IDEMRHAENF AERIKELGGE PTTQKEGKVV TGQAVPVIYE SDADQEDATI DATA SEQUENCE EAYSQFLKVC KEQGDIVTAR LFERIIEEEQ AHLTYYENIG SHIKNLGDTY DATA SEQUENCE LAKIAGTPSS TGTASKGFV 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.510 175.510 0.001 0.000 1.280 4 N CA 0.000 53.050 53.050 0.000 0.000 0.885 4 N CB 0.000 38.487 38.487 -0.001 0.000 1.341 5 R N 1.269 121.770 120.500 0.001 0.000 2.073 5 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 5 R C 2.044 178.344 176.300 0.001 0.000 1.134 5 R CA 2.362 58.463 56.100 0.002 0.000 0.952 5 R CB -1.144 29.157 30.300 0.002 0.000 0.850 5 R HN 0.855 nan 8.270 nan 0.000 0.433 6 E N 1.055 121.254 120.200 -0.001 0.000 2.106 6 E HA -0.187 4.162 4.350 -0.000 0.000 0.192 6 E C 1.667 178.265 176.600 -0.003 0.000 0.984 6 E CA 1.643 58.042 56.400 -0.002 0.000 0.806 6 E CB -0.616 29.082 29.700 -0.002 0.000 0.750 6 E HN 0.468 nan 8.360 nan 0.000 0.458 7 D N -0.784 119.614 120.400 -0.003 0.000 2.149 7 D HA -0.044 4.596 4.640 -0.000 0.000 0.201 7 D C 2.192 178.489 176.300 -0.004 0.000 0.972 7 D CA 0.872 54.869 54.000 -0.004 0.000 0.835 7 D CB -0.025 40.773 40.800 -0.004 0.000 0.966 7 D HN 0.338 nan 8.370 nan 0.000 0.476 8 R N 0.053 120.552 120.500 -0.001 0.000 2.105 8 R HA -0.068 4.272 4.340 -0.000 0.000 0.239 8 R C 2.239 178.539 176.300 -0.000 0.000 1.135 8 R CA 1.234 57.334 56.100 0.001 0.000 0.967 8 R CB 0.008 30.310 30.300 0.004 0.000 0.861 8 R HN 0.174 nan 8.270 nan 0.000 0.442 9 K N -0.006 120.394 120.400 -0.001 0.000 2.057 9 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 9 K C 2.184 178.779 176.600 -0.009 0.000 1.050 9 K CA 1.223 57.509 56.287 -0.002 0.000 0.935 9 K CB -0.134 32.365 32.500 -0.001 0.000 0.715 9 K HN 0.138 nan 8.250 nan 0.000 0.439 10 A N 2.389 125.203 122.820 -0.011 0.000 1.908 10 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 10 A C 1.948 179.517 177.584 -0.026 0.000 1.181 10 A CA 1.567 53.594 52.037 -0.017 0.000 0.627 10 A CB -0.272 18.720 19.000 -0.014 0.000 0.818 10 A HN 0.157 nan 8.150 nan 0.000 0.445 11 K N -0.408 119.979 120.400 -0.022 0.000 2.057 11 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 11 K C 1.970 178.545 176.600 -0.041 0.000 1.050 11 K CA 1.381 57.651 56.287 -0.029 0.000 0.935 11 K CB -0.601 31.888 32.500 -0.018 0.000 0.715 11 K HN 0.366 nan 8.250 nan 0.000 0.439 12 V N 2.020 121.920 119.914 -0.024 0.000 2.358 12 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 12 V C 2.330 178.399 176.094 -0.042 0.000 1.047 12 V CA 1.335 63.625 62.300 -0.017 0.000 1.035 12 V CB -0.421 31.414 31.823 0.019 0.000 0.658 12 V HN 0.203 nan 8.190 nan 0.000 0.452 13 I N 0.233 120.779 120.570 -0.039 0.000 2.264 13 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 13 I C 2.579 178.639 176.117 -0.095 0.000 1.111 13 I CA 1.955 63.223 61.300 -0.054 0.000 1.382 13 I CB -0.292 37.687 38.000 -0.036 0.000 1.060 13 I HN 0.444 nan 8.210 nan 0.000 0.418 14 E N 0.841 120.982 120.200 -0.099 0.000 2.077 14 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 14 E C 2.233 178.687 176.600 -0.243 0.000 0.989 14 E CA 2.012 58.333 56.400 -0.132 0.000 0.800 14 E CB 0.106 29.748 29.700 -0.096 0.000 0.746 14 E HN 0.455 nan 8.360 nan 0.000 0.452 15 V N -0.875 118.855 119.914 -0.307 0.000 2.667 15 V HA -0.119 4.001 4.120 -0.000 0.000 0.252 15 V C 2.305 178.024 176.094 -0.625 0.000 1.065 15 V CA 1.002 62.903 62.300 -0.665 0.000 1.083 15 V CB -0.576 30.849 31.823 -0.663 0.000 0.692 15 V HN 0.205 nan 8.190 nan 0.000 0.468 16 L N 0.517 121.556 121.223 -0.307 0.000 2.093 16 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 16 L C 2.702 179.358 176.870 -0.357 0.000 1.085 16 L CA 1.694 56.336 54.840 -0.330 0.000 0.755 16 L CB -0.663 41.301 42.059 -0.158 0.000 0.904 16 L HN 0.363 nan 8.230 nan 0.000 0.435 17 N N -0.142 118.416 118.700 -0.237 0.000 2.270 17 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 17 N C 1.734 177.148 175.510 -0.161 0.000 1.016 17 N CA 0.922 53.880 53.050 -0.153 0.000 0.870 17 N CB 0.105 38.534 38.487 -0.095 0.000 0.979 17 N HN 0.290 nan 8.380 nan 0.000 0.431 18 K N 0.556 120.800 120.400 -0.259 0.000 2.097 18 K HA 0.043 4.363 4.320 -0.000 0.000 0.205 18 K C 1.890 178.445 176.600 -0.076 0.000 1.050 18 K CA 0.946 57.122 56.287 -0.185 0.000 0.938 18 K CB 0.001 32.319 32.500 -0.304 0.000 0.718 18 K HN 0.080 nan 8.250 nan 0.000 0.442 19 A N 1.491 124.154 122.820 -0.263 0.000 1.930 19 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 19 A C 2.074 179.672 177.584 0.024 0.000 1.175 19 A CA 1.264 53.281 52.037 -0.034 0.000 0.627 19 A CB -0.401 18.199 19.000 -0.667 0.000 0.815 19 A HN 0.230 nan 8.150 nan 0.000 0.443 20 R N -0.242 120.177 120.500 -0.135 0.000 2.096 20 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 20 R C 2.172 178.571 176.300 0.165 0.000 1.127 20 R CA 1.420 57.602 56.100 0.136 0.000 0.968 20 R CB -0.376 29.977 30.300 0.088 0.000 0.861 20 R HN 0.415 nan 8.270 nan 0.000 0.440 21 A N 0.809 123.692 122.820 0.105 0.000 1.930 21 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 21 A C 2.169 179.858 177.584 0.175 0.000 1.175 21 A CA 1.452 53.560 52.037 0.119 0.000 0.627 21 A CB -0.367 18.674 19.000 0.069 0.000 0.815 21 A HN 0.365 nan 8.150 nan 0.000 0.443 22 M N -0.733 118.998 119.600 0.218 0.000 2.132 22 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 22 M C 1.990 178.467 176.300 0.295 0.000 1.065 22 M CA 1.241 56.695 55.300 0.257 0.000 1.122 22 M CB -0.425 32.365 32.600 0.317 0.000 1.365 22 M HN 0.317 nan 8.290 nan 0.000 0.411 23 E N 0.858 121.264 120.200 0.344 0.000 2.051 23 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 23 E C 2.134 178.847 176.600 0.189 0.000 0.991 23 E CA 1.251 57.838 56.400 0.312 0.000 0.799 23 E CB -0.543 29.400 29.700 0.406 0.000 0.748 23 E HN 0.547 nan 8.360 nan 0.000 0.449 24 L N 0.742 122.087 121.223 0.204 0.000 2.079 24 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 24 L C 2.797 179.824 176.870 0.262 0.000 1.081 24 L CA 1.369 56.334 54.840 0.207 0.000 0.752 24 L CB -0.735 41.453 42.059 0.216 0.000 0.896 24 L HN 0.297 nan 8.230 nan 0.000 0.433 25 H N 0.546 119.692 119.070 0.126 0.000 2.321 25 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 25 H C 2.135 177.444 175.328 -0.032 0.000 1.087 25 H CA 1.649 57.741 56.048 0.074 0.000 1.319 25 H CB 0.307 30.086 29.762 0.028 0.000 1.379 25 H HN 0.312 nan 8.280 nan 0.000 0.501 26 A N 1.456 124.144 122.820 -0.220 0.000 1.908 26 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 26 A C 2.776 179.978 177.584 -0.636 0.000 1.181 26 A CA 1.531 53.192 52.037 -0.628 0.000 0.627 26 A CB -0.866 17.888 19.000 -0.410 0.000 0.818 26 A HN 0.477 nan 8.150 nan 0.000 0.445 27 I N -1.176 119.220 120.570 -0.289 0.000 2.127 27 I HA -0.330 3.839 4.170 -0.000 0.000 0.241 27 I C 2.447 178.391 176.117 -0.289 0.000 1.075 27 I CA 2.009 63.153 61.300 -0.261 0.000 1.334 27 I CB -0.544 37.298 38.000 -0.263 0.000 1.040 27 I HN 0.445 nan 8.210 nan 0.000 0.405 28 H N -0.729 118.240 119.070 -0.168 0.000 2.395 28 H HA -0.177 4.379 4.556 -0.000 0.000 0.299 28 H C 2.134 177.370 175.328 -0.153 0.000 1.070 28 H CA 1.281 57.264 56.048 -0.108 0.000 1.356 28 H CB -0.108 29.612 29.762 -0.071 0.000 1.401 28 H HN 0.255 nan 8.280 nan 0.000 0.524 29 Q N 0.300 119.961 119.800 -0.232 0.000 2.050 29 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 29 Q C 1.689 177.673 176.000 -0.025 0.000 0.980 29 Q CA 1.691 57.357 55.803 -0.229 0.000 0.840 29 Q CB -0.413 28.011 28.738 -0.524 0.000 0.898 29 Q HN 0.690 nan 8.270 nan 0.000 0.424 30 Y N -1.296 118.928 120.300 -0.127 0.000 2.242 30 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 30 Y C 2.155 177.988 175.900 -0.112 0.000 1.137 30 Y CA 0.305 58.343 58.100 -0.102 0.000 1.181 30 Y CB -0.025 38.388 38.460 -0.078 0.000 0.989 30 Y HN 0.183 nan 8.280 nan 0.000 0.527 31 M N 0.050 119.644 119.600 -0.010 0.000 2.229 31 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 31 M C 1.723 177.872 176.300 -0.251 0.000 1.063 31 M CA 1.206 56.384 55.300 -0.204 0.000 1.114 31 M CB -1.284 31.181 32.600 -0.226 0.000 1.387 31 M HN 0.308 nan 8.290 nan 0.000 0.420 32 N N 0.578 119.289 118.700 0.018 0.000 2.104 32 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 32 N C 1.612 177.179 175.510 0.095 0.000 1.024 32 N CA 1.615 54.760 53.050 0.158 0.000 0.853 32 N CB 0.031 38.598 38.487 0.133 0.000 1.008 32 N HN 0.452 nan 8.380 nan 0.000 0.424 33 Q N -1.653 118.175 119.800 0.047 0.000 2.172 33 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 33 Q C 1.715 177.733 176.000 0.030 0.000 0.964 33 Q CA 1.304 57.124 55.803 0.029 0.000 0.855 33 Q CB -0.226 28.499 28.738 -0.021 0.000 0.918 33 Q HN 0.625 nan 8.270 nan 0.000 0.444 34 H N 0.069 119.074 119.070 -0.107 0.000 2.319 34 H HA -0.178 4.378 4.556 -0.000 0.000 0.299 34 H C 1.360 176.633 175.328 -0.092 0.000 1.092 34 H CA 1.864 57.827 56.048 -0.143 0.000 1.302 34 H CB -0.284 29.305 29.762 -0.289 0.000 1.373 34 H HN 0.334 nan 8.280 nan 0.000 0.497 35 Y N -0.260 119.972 120.300 -0.112 0.000 2.224 35 Y HA -0.185 4.365 4.550 -0.000 0.000 0.289 35 Y C 2.960 178.787 175.900 -0.122 0.000 1.146 35 Y CA 0.887 58.888 58.100 -0.165 0.000 1.182 35 Y CB -0.076 38.373 38.460 -0.018 0.000 0.983 35 Y HN 0.224 nan 8.280 nan 0.000 0.524 36 S N 0.239 115.990 115.700 0.085 0.000 2.371 36 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 36 S C 1.961 176.589 174.600 0.046 0.000 1.029 36 S CA 0.940 59.178 58.200 0.064 0.000 0.978 36 S CB -0.469 62.775 63.200 0.073 0.000 0.833 36 S HN 0.310 nan 8.310 nan 0.000 0.466 37 L N 1.291 122.543 121.223 0.049 0.000 2.131 37 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 37 L C 2.238 179.129 176.870 0.035 0.000 1.092 37 L CA 1.052 55.962 54.840 0.116 0.000 0.759 37 L CB -0.443 41.716 42.059 0.167 0.000 0.903 37 L HN 0.194 nan 8.230 nan 0.000 0.435 38 D N -0.230 120.118 120.400 -0.087 0.000 2.123 38 D HA -0.198 4.442 4.640 -0.000 0.000 0.200 38 D C 1.773 178.031 176.300 -0.069 0.000 0.976 38 D CA 1.053 54.991 54.000 -0.104 0.000 0.831 38 D CB 0.029 40.703 40.800 -0.210 0.000 0.974 38 D HN 0.230 nan 8.370 nan 0.000 0.469 39 D N -0.352 120.020 120.400 -0.047 0.000 2.123 39 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 39 D C 1.929 178.187 176.300 -0.070 0.000 0.992 39 D CA 1.114 55.093 54.000 -0.036 0.000 0.833 39 D CB -0.074 40.724 40.800 -0.004 0.000 0.954 39 D HN 0.207 nan 8.370 nan 0.000 0.455 40 M N -0.823 118.729 119.600 -0.081 0.000 2.619 40 M HA 0.027 4.507 4.480 -0.000 0.000 0.251 40 M C 0.170 176.206 176.300 -0.440 0.000 1.106 40 M CA 0.614 55.794 55.300 -0.200 0.000 1.086 40 M CB 0.177 32.718 32.600 -0.098 0.000 1.465 40 M HN -0.128 nan 8.290 nan 0.000 0.506 41 D N 0.263 120.493 120.400 -0.282 0.000 2.739 41 D HA -0.210 4.430 4.640 -0.000 0.000 0.240 41 D C -1.413 174.671 176.300 -0.360 0.000 1.114 41 D CA 0.674 54.517 54.000 -0.261 0.000 0.695 41 D CB -1.404 39.257 40.800 -0.233 0.000 1.078 41 D HN 0.533 nan 8.370 nan 0.000 0.434 42 Y N -0.893 119.412 120.300 0.008 0.000 2.960 42 Y HA 0.460 5.010 4.550 -0.000 0.000 0.343 42 Y C 1.861 177.778 175.900 0.028 0.000 1.106 42 Y CA -0.553 57.553 58.100 0.010 0.000 1.221 42 Y CB 1.101 39.578 38.460 0.029 0.000 1.232 42 Y HN 0.167 nan 8.280 nan 0.000 0.577 43 G N 0.731 109.609 108.800 0.129 0.000 2.491 43 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 43 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 43 G C 1.422 176.390 174.900 0.113 0.000 1.180 43 G CA 1.006 46.163 45.100 0.095 0.000 0.774 43 G HN 0.589 nan 8.290 nan 0.000 0.562 44 E N -0.190 120.072 120.200 0.104 0.000 2.110 44 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 44 E C 2.625 179.317 176.600 0.152 0.000 0.988 44 E CA 0.489 56.949 56.400 0.100 0.000 0.804 44 E CB -0.137 29.607 29.700 0.074 0.000 0.745 44 E HN 0.475 nan 8.360 nan 0.000 0.458 45 L N 0.163 121.501 121.223 0.191 0.000 2.056 45 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 45 L C 2.661 179.698 176.870 0.278 0.000 1.078 45 L CA 1.007 56.014 54.840 0.279 0.000 0.749 45 L CB -0.468 41.767 42.059 0.293 0.000 0.901 45 L HN 0.164 nan 8.230 nan 0.000 0.433 46 A N 0.177 123.139 122.820 0.236 0.000 1.908 46 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 46 A C 2.546 180.317 177.584 0.312 0.000 1.181 46 A CA 1.846 54.035 52.037 0.253 0.000 0.627 46 A CB -0.753 18.318 19.000 0.118 0.000 0.818 46 A HN 0.404 nan 8.150 nan 0.000 0.445 47 A N 0.235 123.169 122.820 0.189 0.000 1.865 47 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 47 A C 1.981 179.572 177.584 0.012 0.000 1.191 47 A CA 1.872 53.967 52.037 0.097 0.000 0.623 47 A CB -0.670 18.369 19.000 0.065 0.000 0.826 47 A HN 0.548 nan 8.150 nan 0.000 0.444 48 N N -1.059 117.647 118.700 0.010 0.000 2.188 48 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 48 N C 1.634 177.047 175.510 -0.162 0.000 1.018 48 N CA 1.698 54.662 53.050 -0.144 0.000 0.858 48 N CB -0.399 37.942 38.487 -0.244 0.000 0.989 48 N HN 0.501 nan 8.380 nan 0.000 0.426 49 M N 1.671 121.280 119.600 0.016 0.000 2.108 49 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 49 M C 1.893 178.139 176.300 -0.090 0.000 1.066 49 M CA 1.636 56.950 55.300 0.023 0.000 1.107 49 M CB -0.181 32.509 32.600 0.150 0.000 1.356 49 M HN -0.031 nan 8.290 nan 0.000 0.406 50 K N -0.459 119.845 120.400 -0.160 0.000 2.155 50 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 50 K C 1.839 178.300 176.600 -0.231 0.000 1.052 50 K CA 1.145 57.221 56.287 -0.351 0.000 0.948 50 K CB -0.208 31.872 32.500 -0.699 0.000 0.728 50 K HN 0.445 nan 8.250 nan 0.000 0.448 51 L N 0.870 121.979 121.223 -0.189 0.000 2.093 51 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 51 L C 2.321 179.078 176.870 -0.187 0.000 1.085 51 L CA 0.962 55.701 54.840 -0.168 0.000 0.755 51 L CB -0.277 41.686 42.059 -0.159 0.000 0.904 51 L HN 0.224 nan 8.230 nan 0.000 0.435 52 I N -0.218 120.201 120.570 -0.252 0.000 2.252 52 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 52 I C 2.811 178.822 176.117 -0.177 0.000 1.102 52 I CA 1.028 62.115 61.300 -0.354 0.000 1.385 52 I CB -0.432 37.239 38.000 -0.547 0.000 1.064 52 I HN 0.185 nan 8.210 nan 0.000 0.414 53 A N 1.138 123.926 122.820 -0.054 0.000 1.917 53 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 53 A C 2.301 179.834 177.584 -0.086 0.000 1.182 53 A CA 1.714 53.749 52.037 -0.003 0.000 0.633 53 A CB -0.899 18.067 19.000 -0.057 0.000 0.819 53 A HN 0.414 nan 8.150 nan 0.000 0.448 54 I N -0.352 120.147 120.570 -0.117 0.000 2.315 54 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 54 I C 1.754 177.796 176.117 -0.126 0.000 1.117 54 I CA 1.350 62.582 61.300 -0.113 0.000 1.404 54 I CB -0.464 37.472 38.000 -0.107 0.000 1.071 54 I HN 0.247 nan 8.210 nan 0.000 0.419 55 D N 0.768 121.085 120.400 -0.139 0.000 2.149 55 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 55 D C 2.130 178.155 176.300 -0.458 0.000 0.990 55 D CA 1.055 54.927 54.000 -0.214 0.000 0.839 55 D CB -0.183 40.602 40.800 -0.024 0.000 0.948 55 D HN 0.290 nan 8.370 nan 0.000 0.460 56 E N 0.073 120.127 120.200 -0.243 0.000 2.106 56 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 56 E C 2.247 178.801 176.600 -0.077 0.000 0.984 56 E CA 0.462 56.785 56.400 -0.129 0.000 0.806 56 E CB -0.325 29.386 29.700 0.019 0.000 0.750 56 E HN 0.434 nan 8.360 nan 0.000 0.458 57 M N 0.223 119.768 119.600 -0.091 0.000 2.117 57 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 57 M C 2.502 178.773 176.300 -0.048 0.000 1.065 57 M CA 1.394 56.660 55.300 -0.056 0.000 1.114 57 M CB -0.292 32.268 32.600 -0.068 0.000 1.361 57 M HN -0.027 nan 8.290 nan 0.000 0.408 58 R N -0.014 120.432 120.500 -0.089 0.000 2.081 58 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 58 R C 1.864 178.141 176.300 -0.038 0.000 1.131 58 R CA 1.877 57.936 56.100 -0.069 0.000 0.960 58 R CB -0.424 29.830 30.300 -0.078 0.000 0.856 58 R HN 0.562 nan 8.270 nan 0.000 0.436 59 H N -0.539 118.469 119.070 -0.104 0.000 2.321 59 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 59 H C 2.137 177.299 175.328 -0.278 0.000 1.087 59 H CA 0.917 56.792 56.048 -0.288 0.000 1.319 59 H CB -0.034 29.650 29.762 -0.130 0.000 1.379 59 H HN 0.398 nan 8.280 nan 0.000 0.501 60 A N 1.153 124.049 122.820 0.127 0.000 1.917 60 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 60 A C 2.216 179.860 177.584 0.100 0.000 1.182 60 A CA 2.029 54.179 52.037 0.189 0.000 0.633 60 A CB -0.491 18.597 19.000 0.148 0.000 0.819 60 A HN 0.586 nan 8.150 nan 0.000 0.448 61 E N -0.238 119.975 120.200 0.021 0.000 2.072 61 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 61 E C 1.795 178.377 176.600 -0.029 0.000 0.982 61 E CA 1.244 57.646 56.400 0.002 0.000 0.803 61 E CB -0.220 29.472 29.700 -0.013 0.000 0.755 61 E HN 0.789 nan 8.360 nan 0.000 0.453 62 N N -0.580 118.054 118.700 -0.109 0.000 2.188 62 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 62 N C 1.645 177.071 175.510 -0.139 0.000 1.018 62 N CA 1.098 54.046 53.050 -0.170 0.000 0.858 62 N CB -0.129 38.184 38.487 -0.289 0.000 0.989 62 N HN 0.142 nan 8.380 nan 0.000 0.426 63 F N 1.226 121.119 119.950 -0.094 0.000 2.102 63 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 63 F C 2.618 178.369 175.800 -0.082 0.000 1.105 63 F CA 0.568 58.486 58.000 -0.137 0.000 1.239 63 F CB -0.220 38.703 39.000 -0.129 0.000 0.991 63 F HN 0.086 nan 8.300 nan 0.000 0.474 64 A N 0.127 123.034 122.820 0.144 0.000 1.908 64 A HA -0.242 4.077 4.320 -0.000 0.000 0.218 64 A C 1.960 179.567 177.584 0.039 0.000 1.181 64 A CA 2.007 54.088 52.037 0.074 0.000 0.627 64 A CB -0.809 18.226 19.000 0.059 0.000 0.818 64 A HN 0.437 nan 8.150 nan 0.000 0.445 65 E N -1.206 119.007 120.200 0.022 0.000 2.110 65 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 65 E C 2.327 178.930 176.600 0.006 0.000 0.988 65 E CA 1.149 57.552 56.400 0.005 0.000 0.804 65 E CB -0.087 29.606 29.700 -0.011 0.000 0.745 65 E HN 0.407 nan 8.360 nan 0.000 0.458 66 R N 1.149 121.655 120.500 0.010 0.000 2.075 66 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 66 R C 1.966 178.274 176.300 0.013 0.000 1.126 66 R CA 1.161 57.267 56.100 0.009 0.000 0.963 66 R CB -0.650 29.657 30.300 0.011 0.000 0.858 66 R HN 0.166 nan 8.270 nan 0.000 0.435 67 I N 0.934 121.516 120.570 0.019 0.000 2.151 67 I HA -0.351 3.819 4.170 -0.000 0.000 0.243 67 I C 2.004 178.124 176.117 0.005 0.000 1.080 67 I CA 1.497 62.802 61.300 0.008 0.000 1.339 67 I CB -0.241 37.764 38.000 0.007 0.000 1.039 67 I HN 0.078 nan 8.210 nan 0.000 0.409 68 K N 0.687 121.091 120.400 0.008 0.000 2.057 68 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 68 K C 1.907 178.508 176.600 0.003 0.000 1.049 68 K CA 1.390 57.680 56.287 0.005 0.000 0.931 68 K CB -0.469 32.034 32.500 0.005 0.000 0.714 68 K HN 0.465 nan 8.250 nan 0.000 0.440 69 E N 0.695 120.897 120.200 0.003 0.000 2.118 69 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 69 E C 1.855 178.456 176.600 0.002 0.000 0.992 69 E CA 0.761 57.162 56.400 0.002 0.000 0.804 69 E CB -0.068 29.633 29.700 0.002 0.000 0.741 69 E HN 0.207 nan 8.360 nan 0.000 0.458 70 L N -0.840 120.384 121.223 0.003 0.000 2.554 70 L HA 0.120 4.460 4.340 -0.000 0.000 0.226 70 L C 1.358 178.227 176.870 -0.000 0.000 1.137 70 L CA 0.445 55.287 54.840 0.002 0.000 0.863 70 L CB 0.123 42.184 42.059 0.002 0.000 0.985 70 L HN 0.325 nan 8.230 nan 0.000 0.451 71 G N -0.219 108.581 108.800 -0.001 0.000 2.144 71 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 71 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 71 G C 0.397 175.295 174.900 -0.003 0.000 0.988 71 G CA -0.205 44.894 45.100 -0.002 0.000 0.659 71 G HN 0.497 nan 8.290 nan 0.000 0.522 72 G N -0.810 107.987 108.800 -0.004 0.000 2.613 72 G HA2 0.642 4.602 3.960 -0.000 0.000 0.303 72 G HA3 0.642 4.602 3.960 -0.000 0.000 0.303 72 G C -0.618 174.280 174.900 -0.004 0.000 1.312 72 G CA -0.036 45.060 45.100 -0.007 0.000 1.036 72 G HN 0.395 nan 8.290 nan 0.000 0.513 73 E N -0.023 120.174 120.200 -0.006 0.000 2.165 73 E HA 0.519 4.869 4.350 -0.000 0.000 0.266 73 E C -2.516 174.084 176.600 -0.000 0.000 0.889 73 E CA -2.091 54.309 56.400 -0.001 0.000 0.756 73 E CB 1.899 31.598 29.700 -0.002 0.000 1.131 73 E HN 0.095 nan 8.360 nan 0.000 0.411 74 P HA 0.109 nan 4.420 nan 0.000 0.276 74 P C -0.488 176.823 177.300 0.018 0.000 1.243 74 P CA -0.354 62.755 63.100 0.016 0.000 0.768 74 P CB 1.049 32.767 31.700 0.029 0.000 0.856 75 T N 1.394 115.957 114.554 0.016 0.000 2.856 75 T HA 0.188 4.538 4.350 -0.000 0.000 0.306 75 T C 1.065 175.786 174.700 0.036 0.000 1.062 75 T CA 0.512 62.623 62.100 0.019 0.000 1.083 75 T CB -0.018 68.858 68.868 0.013 0.000 0.984 75 T HN 0.559 nan 8.240 nan 0.000 0.542 76 T N 1.088 115.662 114.554 0.033 0.000 3.091 76 T HA 0.326 4.676 4.350 -0.000 0.000 0.277 76 T C 0.200 174.926 174.700 0.043 0.000 0.996 76 T CA -0.512 61.615 62.100 0.044 0.000 0.897 76 T CB 0.362 69.251 68.868 0.035 0.000 1.109 76 T HN 0.432 nan 8.240 nan 0.000 0.534 77 Q N 2.548 122.369 119.800 0.036 0.000 2.282 77 Q HA 0.405 4.745 4.340 -0.000 0.000 0.260 77 Q C -0.316 175.713 176.000 0.048 0.000 0.964 77 Q CA -0.444 55.376 55.803 0.028 0.000 0.880 77 Q CB 2.470 31.217 28.738 0.015 0.000 1.286 77 Q HN 0.703 nan 8.270 nan 0.000 0.445 78 K N 0.166 120.595 120.400 0.049 0.000 2.168 78 K HA 0.309 4.629 4.320 -0.000 0.000 0.258 78 K C -0.114 176.528 176.600 0.070 0.000 1.010 78 K CA -0.611 55.733 56.287 0.095 0.000 0.929 78 K CB 0.730 33.299 32.500 0.115 0.000 0.998 78 K HN 0.250 nan 8.250 nan 0.000 0.479 79 E N 1.070 121.316 120.200 0.077 0.000 2.167 79 E HA 0.424 4.774 4.350 -0.000 0.000 0.284 79 E C 0.207 176.742 176.600 -0.110 0.000 1.016 79 E CA 0.509 56.910 56.400 0.001 0.000 0.817 79 E CB 0.618 30.324 29.700 0.009 0.000 1.080 79 E HN 0.872 nan 8.360 nan 0.000 0.397 80 G N 3.587 112.333 108.800 -0.090 0.000 2.587 80 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.212 80 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.212 80 G C -1.037 173.851 174.900 -0.020 0.000 1.327 80 G CA -0.190 44.831 45.100 -0.132 0.000 0.898 80 G HN 0.835 nan 8.290 nan 0.000 0.551 81 K N -1.730 118.681 120.400 0.018 0.000 2.395 81 K HA 0.814 5.134 4.320 -0.000 0.000 0.247 81 K C -0.485 176.242 176.600 0.212 0.000 0.973 81 K CA -1.006 55.340 56.287 0.098 0.000 0.828 81 K CB 2.176 34.703 32.500 0.044 0.000 1.272 81 K HN 0.797 nan 8.250 nan 0.000 0.439 82 V N 2.015 122.018 119.914 0.148 0.000 2.530 82 V HA 0.202 4.322 4.120 -0.000 0.000 0.282 82 V C -0.353 175.788 176.094 0.078 0.000 1.048 82 V CA -0.783 61.577 62.300 0.101 0.000 0.997 82 V CB 1.260 33.104 31.823 0.034 0.000 0.987 82 V HN 0.566 nan 8.190 nan 0.000 0.477 83 V N 5.038 124.996 119.914 0.074 0.000 2.407 83 V HA 0.496 4.616 4.120 -0.000 0.000 0.278 83 V C 0.527 176.644 176.094 0.040 0.000 1.037 83 V CA -0.236 62.095 62.300 0.051 0.000 0.900 83 V CB 1.447 33.299 31.823 0.048 0.000 0.983 83 V HN 1.081 nan 8.190 nan 0.000 0.459 84 T N 0.520 115.097 114.554 0.037 0.000 2.940 84 T HA 0.684 5.034 4.350 -0.000 0.000 0.288 84 T C 0.889 175.609 174.700 0.033 0.000 1.045 84 T CA -0.004 62.120 62.100 0.040 0.000 1.018 84 T CB 1.659 70.553 68.868 0.044 0.000 1.151 84 T HN 1.749 nan 8.240 nan 0.000 0.529 85 G N 0.752 109.573 108.800 0.036 0.000 2.179 85 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.257 85 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.257 85 G C -0.086 174.832 174.900 0.030 0.000 1.010 85 G CA 0.414 45.534 45.100 0.033 0.000 0.736 85 G HN 0.989 nan 8.290 nan 0.000 0.513 86 Q N -0.006 119.809 119.800 0.024 0.000 2.352 86 Q HA 0.580 4.920 4.340 -0.000 0.000 0.260 86 Q C 0.826 176.842 176.000 0.026 0.000 0.976 86 Q CA 0.235 56.048 55.803 0.016 0.000 0.881 86 Q CB 1.026 29.761 28.738 -0.005 0.000 1.235 86 Q HN 0.717 nan 8.270 nan 0.000 0.419 87 A N 2.193 125.032 122.820 0.032 0.000 2.313 87 A HA 0.156 4.476 4.320 -0.000 0.000 0.261 87 A C 1.139 178.760 177.584 0.061 0.000 1.090 87 A CA -0.590 51.478 52.037 0.051 0.000 0.807 87 A CB 0.455 19.484 19.000 0.049 0.000 1.055 87 A HN 0.702 nan 8.150 nan 0.000 0.492 88 V N 1.669 121.641 119.914 0.098 0.000 2.252 88 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 88 V C -0.467 175.740 176.094 0.189 0.000 1.056 88 V CA 2.853 65.247 62.300 0.157 0.000 1.022 88 V CB -1.576 30.343 31.823 0.160 0.000 0.641 88 V HN 0.823 nan 8.190 nan 0.000 0.445 89 P HA -0.113 nan 4.420 nan 0.000 0.216 89 P C 1.856 179.206 177.300 0.083 0.000 1.150 89 P CA 1.305 64.473 63.100 0.114 0.000 0.837 89 P CB -0.092 31.645 31.700 0.062 0.000 0.786 90 V N -0.588 119.352 119.914 0.044 0.000 2.427 90 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 90 V C 2.346 178.412 176.094 -0.046 0.000 1.051 90 V CA 1.425 63.729 62.300 0.006 0.000 1.048 90 V CB -1.070 30.756 31.823 0.005 0.000 0.666 90 V HN 0.044 nan 8.190 nan 0.000 0.456 91 I N -0.777 119.736 120.570 -0.095 0.000 2.091 91 I HA -0.342 3.828 4.170 -0.000 0.000 0.239 91 I C 2.354 178.201 176.117 -0.451 0.000 1.061 91 I CA 2.247 63.366 61.300 -0.301 0.000 1.317 91 I CB -0.446 37.280 38.000 -0.456 0.000 1.031 91 I HN 0.283 nan 8.210 nan 0.000 0.401 92 Y N 0.199 120.459 120.300 -0.067 0.000 2.457 92 Y HA -0.141 4.409 4.550 -0.000 0.000 0.292 92 Y C 2.565 178.412 175.900 -0.089 0.000 1.125 92 Y CA 0.920 58.967 58.100 -0.088 0.000 1.254 92 Y CB -0.229 38.211 38.460 -0.033 0.000 1.012 92 Y HN 0.268 nan 8.280 nan 0.000 0.555 93 E N 0.048 120.267 120.200 0.032 0.000 2.072 93 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 93 E C 1.762 178.346 176.600 -0.027 0.000 0.982 93 E CA 1.428 57.835 56.400 0.010 0.000 0.803 93 E CB -0.045 29.663 29.700 0.013 0.000 0.755 93 E HN 0.346 nan 8.360 nan 0.000 0.453 94 S N 1.240 116.903 115.700 -0.061 0.000 2.387 94 S HA -0.094 4.376 4.470 -0.000 0.000 0.226 94 S C 1.417 175.970 174.600 -0.079 0.000 1.026 94 S CA 1.167 59.336 58.200 -0.052 0.000 0.972 94 S CB -0.169 63.005 63.200 -0.043 0.000 0.814 94 S HN 0.309 nan 8.310 nan 0.000 0.477 95 D N 2.044 122.305 120.400 -0.230 0.000 2.117 95 D HA 0.051 4.691 4.640 -0.000 0.000 0.198 95 D C 2.165 178.352 176.300 -0.188 0.000 0.982 95 D CA 1.169 54.931 54.000 -0.397 0.000 0.828 95 D CB -0.532 39.470 40.800 -1.330 0.000 0.967 95 D HN 0.357 nan 8.370 nan 0.000 0.464 96 A N 1.251 124.024 122.820 -0.078 0.000 1.883 96 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 96 A C 1.847 179.478 177.584 0.078 0.000 1.186 96 A CA 1.857 53.961 52.037 0.112 0.000 0.624 96 A CB -0.530 18.536 19.000 0.111 0.000 0.822 96 A HN 0.039 nan 8.150 nan 0.000 0.444 97 D N -0.968 119.452 120.400 0.033 0.000 2.123 97 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 97 D C 2.068 178.391 176.300 0.038 0.000 0.992 97 D CA 1.585 55.602 54.000 0.027 0.000 0.833 97 D CB -0.358 40.449 40.800 0.011 0.000 0.954 97 D HN 0.683 nan 8.370 nan 0.000 0.455 98 Q N 0.115 119.948 119.800 0.055 0.000 2.119 98 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 98 Q C 1.786 177.854 176.000 0.114 0.000 0.972 98 Q CA 0.907 56.761 55.803 0.085 0.000 0.847 98 Q CB 0.269 29.086 28.738 0.131 0.000 0.903 98 Q HN 0.173 nan 8.270 nan 0.000 0.433 99 E N 0.686 120.990 120.200 0.172 0.000 2.072 99 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 99 E C 1.550 178.204 176.600 0.090 0.000 0.985 99 E CA 1.387 57.906 56.400 0.199 0.000 0.801 99 E CB -0.195 29.695 29.700 0.317 0.000 0.750 99 E HN 0.464 nan 8.360 nan 0.000 0.452 100 D N 0.590 121.032 120.400 0.070 0.000 2.104 100 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 100 D C 1.903 178.193 176.300 -0.017 0.000 0.994 100 D CA 1.751 55.766 54.000 0.026 0.000 0.830 100 D CB -0.005 40.810 40.800 0.025 0.000 0.959 100 D HN 0.119 nan 8.370 nan 0.000 0.452 101 A N -0.644 122.164 122.820 -0.019 0.000 1.933 101 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 101 A C 2.358 179.874 177.584 -0.114 0.000 1.175 101 A CA 2.126 54.130 52.037 -0.054 0.000 0.628 101 A CB -1.027 17.951 19.000 -0.036 0.000 0.814 101 A HN 0.330 nan 8.150 nan 0.000 0.444 102 T N 0.378 114.855 114.554 -0.129 0.000 2.746 102 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 102 T C 1.782 176.227 174.700 -0.424 0.000 1.039 102 T CA 1.574 63.477 62.100 -0.328 0.000 1.142 102 T CB -0.422 68.269 68.868 -0.294 0.000 0.866 102 T HN 0.439 nan 8.240 nan 0.000 0.444 103 I N 0.903 121.353 120.570 -0.200 0.000 2.179 103 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 103 I C 2.797 178.856 176.117 -0.096 0.000 1.088 103 I CA 1.146 62.386 61.300 -0.100 0.000 1.357 103 I CB -0.359 37.628 38.000 -0.022 0.000 1.051 103 I HN 0.137 nan 8.210 nan 0.000 0.409 104 E N 0.954 121.089 120.200 -0.109 0.000 2.065 104 E HA -0.297 4.053 4.350 -0.000 0.000 0.201 104 E C 2.325 178.802 176.600 -0.204 0.000 1.016 104 E CA 1.887 58.214 56.400 -0.121 0.000 0.818 104 E CB -0.414 29.224 29.700 -0.105 0.000 0.749 104 E HN 0.551 nan 8.360 nan 0.000 0.453 105 A N 0.694 123.341 122.820 -0.289 0.000 1.873 105 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 105 A C 2.092 179.253 177.584 -0.705 0.000 1.186 105 A CA 1.282 52.980 52.037 -0.564 0.000 0.616 105 A CB -0.824 17.854 19.000 -0.536 0.000 0.823 105 A HN 0.223 nan 8.150 nan 0.000 0.442 106 Y N 1.164 121.195 120.300 -0.448 0.000 2.274 106 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 106 Y C 2.932 178.660 175.900 -0.286 0.000 1.145 106 Y CA 0.671 58.618 58.100 -0.254 0.000 1.203 106 Y CB -1.055 37.517 38.460 0.186 0.000 0.984 106 Y HN 0.307 nan 8.280 nan 0.000 0.533 107 S N -0.385 115.284 115.700 -0.053 0.000 2.402 107 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 107 S C 1.940 176.458 174.600 -0.135 0.000 1.021 107 S CA 0.842 59.003 58.200 -0.064 0.000 0.974 107 S CB -0.125 63.052 63.200 -0.038 0.000 0.800 107 S HN 0.462 nan 8.310 nan 0.000 0.484 108 Q N 0.646 120.310 119.800 -0.227 0.000 2.079 108 Q HA 0.032 4.371 4.340 -0.000 0.000 0.200 108 Q C 1.903 177.831 176.000 -0.120 0.000 0.974 108 Q CA 1.178 56.869 55.803 -0.187 0.000 0.840 108 Q CB -0.573 28.028 28.738 -0.229 0.000 0.898 108 Q HN 0.634 nan 8.270 nan 0.000 0.430 109 F N 0.731 120.496 119.950 -0.308 0.000 2.126 109 F HA -0.242 4.284 4.527 -0.000 0.000 0.299 109 F C 2.464 177.886 175.800 -0.631 0.000 1.096 109 F CA 0.251 57.906 58.000 -0.576 0.000 1.255 109 F CB -0.306 38.074 39.000 -1.034 0.000 0.997 109 F HN 0.085 nan 8.300 nan 0.000 0.479 110 L N 0.695 121.681 121.223 -0.395 0.000 2.012 110 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 110 L C 2.544 179.381 176.870 -0.054 0.000 1.073 110 L CA 1.704 56.447 54.840 -0.162 0.000 0.748 110 L CB -0.423 41.618 42.059 -0.029 0.000 0.891 110 L HN 0.034 nan 8.230 nan 0.000 0.431 111 K N -0.877 119.492 120.400 -0.052 0.000 2.063 111 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 111 K C 1.913 178.507 176.600 -0.011 0.000 1.048 111 K CA 1.856 58.130 56.287 -0.021 0.000 0.928 111 K CB -0.115 32.370 32.500 -0.024 0.000 0.713 111 K HN 0.269 nan 8.250 nan 0.000 0.442 112 V N 0.863 120.768 119.914 -0.015 0.000 2.332 112 V HA -0.360 3.760 4.120 -0.000 0.000 0.248 112 V C 2.450 178.546 176.094 0.002 0.000 1.055 112 V CA 1.773 64.070 62.300 -0.004 0.000 1.038 112 V CB -0.541 31.280 31.823 -0.003 0.000 0.651 112 V HN 0.487 nan 8.190 nan 0.000 0.450 113 C N -0.270 119.036 119.300 0.010 0.000 2.429 113 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 113 C C 2.731 177.744 174.990 0.039 0.000 1.262 113 C CA 0.960 60.006 59.018 0.047 0.000 1.733 113 C CB -0.998 26.809 27.740 0.111 0.000 2.010 113 C HN 0.549 nan 8.230 nan 0.000 0.483 114 K N 0.906 121.325 120.400 0.032 0.000 2.032 114 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 114 K C 1.898 178.509 176.600 0.018 0.000 1.048 114 K CA 1.615 57.918 56.287 0.027 0.000 0.927 114 K CB -0.237 32.277 32.500 0.022 0.000 0.712 114 K HN 0.569 nan 8.250 nan 0.000 0.441 115 E N 0.467 120.674 120.200 0.012 0.000 2.110 115 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 115 E C 1.629 178.235 176.600 0.009 0.000 0.988 115 E CA 0.845 57.250 56.400 0.009 0.000 0.804 115 E CB 0.159 29.862 29.700 0.005 0.000 0.745 115 E HN 0.225 nan 8.360 nan 0.000 0.458 116 Q N -0.516 119.291 119.800 0.011 0.000 2.365 116 Q HA 0.081 4.421 4.340 -0.000 0.000 0.203 116 Q C 0.745 176.754 176.000 0.015 0.000 0.929 116 Q CA 0.643 56.453 55.803 0.011 0.000 0.948 116 Q CB 0.809 29.553 28.738 0.010 0.000 1.043 116 Q HN 0.365 nan 8.270 nan 0.000 0.505 117 G N 2.507 111.317 108.800 0.018 0.000 2.323 117 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.292 117 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.292 117 G C -0.480 174.434 174.900 0.024 0.000 1.040 117 G CA 0.521 45.633 45.100 0.019 0.000 0.942 117 G HN 0.310 nan 8.290 nan 0.000 0.506 118 D N 0.137 120.557 120.400 0.033 0.000 2.477 118 D HA 0.399 5.039 4.640 -0.000 0.000 0.239 118 D C 1.678 178.010 176.300 0.052 0.000 1.102 118 D CA -0.945 53.079 54.000 0.040 0.000 0.901 118 D CB 0.102 40.930 40.800 0.047 0.000 1.026 118 D HN -0.030 nan 8.370 nan 0.000 0.515 119 I N 2.654 123.249 120.570 0.041 0.000 2.226 119 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 119 I C 2.359 178.504 176.117 0.046 0.000 1.100 119 I CA 0.708 62.033 61.300 0.042 0.000 1.374 119 I CB -0.787 37.230 38.000 0.029 0.000 1.057 119 I HN 0.271 nan 8.210 nan 0.000 0.413 120 V N 0.657 120.594 119.914 0.037 0.000 2.343 120 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 120 V C 2.511 178.630 176.094 0.041 0.000 1.051 120 V CA 2.250 64.568 62.300 0.029 0.000 1.036 120 V CB -1.082 30.752 31.823 0.018 0.000 0.654 120 V HN 0.423 nan 8.190 nan 0.000 0.451 121 T N 0.344 114.937 114.554 0.065 0.000 2.821 121 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 121 T C 2.050 176.871 174.700 0.202 0.000 1.046 121 T CA 1.381 63.543 62.100 0.103 0.000 1.139 121 T CB -0.374 68.578 68.868 0.140 0.000 0.871 121 T HN 0.548 nan 8.240 nan 0.000 0.454 122 A N 1.692 124.622 122.820 0.182 0.000 1.972 122 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 122 A C 2.275 179.968 177.584 0.181 0.000 1.169 122 A CA 1.710 53.876 52.037 0.214 0.000 0.635 122 A CB -0.459 18.616 19.000 0.125 0.000 0.810 122 A HN 0.307 nan 8.150 nan 0.000 0.446 123 R N -0.559 120.004 120.500 0.105 0.000 2.090 123 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 123 R C 1.860 178.186 176.300 0.042 0.000 1.110 123 R CA 1.338 57.477 56.100 0.065 0.000 0.973 123 R CB -0.782 29.540 30.300 0.036 0.000 0.869 123 R HN 0.411 nan 8.270 nan 0.000 0.440 124 L N -0.144 121.084 121.223 0.010 0.000 2.012 124 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 124 L C 1.815 178.625 176.870 -0.101 0.000 1.073 124 L CA 1.868 56.653 54.840 -0.092 0.000 0.748 124 L CB -0.797 41.169 42.059 -0.156 0.000 0.891 124 L HN 0.233 nan 8.230 nan 0.000 0.431 125 F N 0.054 120.040 119.950 0.060 0.000 2.171 125 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 125 F C 2.597 178.433 175.800 0.061 0.000 1.090 125 F CA 1.687 59.733 58.000 0.078 0.000 1.293 125 F CB -0.218 38.835 39.000 0.088 0.000 1.013 125 F HN 0.263 nan 8.300 nan 0.000 0.486 126 E N 0.213 120.544 120.200 0.218 0.000 2.031 126 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 126 E C 2.398 179.044 176.600 0.077 0.000 0.994 126 E CA 1.175 57.656 56.400 0.136 0.000 0.800 126 E CB -0.001 29.756 29.700 0.095 0.000 0.752 126 E HN 0.302 nan 8.360 nan 0.000 0.447 127 R N 0.005 120.522 120.500 0.029 0.000 2.081 127 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 127 R C 2.466 178.739 176.300 -0.045 0.000 1.131 127 R CA 1.425 57.517 56.100 -0.013 0.000 0.960 127 R CB -0.288 29.987 30.300 -0.041 0.000 0.856 127 R HN 0.289 nan 8.270 nan 0.000 0.436 128 I N 0.471 120.980 120.570 -0.102 0.000 2.315 128 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 128 I C 2.128 178.233 176.117 -0.020 0.000 1.117 128 I CA 1.123 62.278 61.300 -0.241 0.000 1.404 128 I CB -0.117 37.608 38.000 -0.459 0.000 1.071 128 I HN 0.132 nan 8.210 nan 0.000 0.419 129 I N 0.609 121.266 120.570 0.145 0.000 2.361 129 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 129 I C 2.342 178.501 176.117 0.070 0.000 1.133 129 I CA 1.391 62.797 61.300 0.177 0.000 1.413 129 I CB -0.349 37.773 38.000 0.202 0.000 1.073 129 I HN 0.269 nan 8.210 nan 0.000 0.424 130 E N 0.576 120.797 120.200 0.035 0.000 2.106 130 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 130 E C 1.954 178.534 176.600 -0.033 0.000 0.984 130 E CA 1.046 57.450 56.400 0.006 0.000 0.806 130 E CB -0.112 29.591 29.700 0.005 0.000 0.750 130 E HN 0.599 nan 8.360 nan 0.000 0.458 131 E N 0.831 120.999 120.200 -0.052 0.000 2.072 131 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 131 E C 1.999 178.390 176.600 -0.348 0.000 0.982 131 E CA 0.590 56.904 56.400 -0.142 0.000 0.803 131 E CB 0.072 29.787 29.700 0.025 0.000 0.755 131 E HN 0.194 nan 8.360 nan 0.000 0.453 132 E N 0.916 121.045 120.200 -0.118 0.000 2.110 132 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 132 E C 2.041 178.639 176.600 -0.003 0.000 0.988 132 E CA 1.034 57.421 56.400 -0.021 0.000 0.804 132 E CB -0.178 29.591 29.700 0.115 0.000 0.745 132 E HN 0.190 nan 8.360 nan 0.000 0.458 133 Q N 1.015 120.809 119.800 -0.010 0.000 2.167 133 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 133 Q C 1.939 177.947 176.000 0.013 0.000 0.970 133 Q CA 1.744 57.558 55.803 0.018 0.000 0.855 133 Q CB -0.319 28.428 28.738 0.015 0.000 0.911 133 Q HN 0.217 nan 8.270 nan 0.000 0.438 134 A N -0.575 122.217 122.820 -0.046 0.000 1.930 134 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 134 A C 1.754 179.374 177.584 0.060 0.000 1.175 134 A CA 1.573 53.600 52.037 -0.017 0.000 0.627 134 A CB -0.914 18.053 19.000 -0.055 0.000 0.815 134 A HN 0.692 nan 8.150 nan 0.000 0.443 135 H N -1.280 117.808 119.070 0.029 0.000 2.321 135 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 135 H C 2.095 177.432 175.328 0.015 0.000 1.087 135 H CA 1.155 57.183 56.048 -0.034 0.000 1.319 135 H CB -0.128 29.689 29.762 0.090 0.000 1.379 135 H HN 0.422 nan 8.280 nan 0.000 0.501 136 L N 0.848 122.222 121.223 0.252 0.000 2.012 136 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 136 L C 2.165 179.126 176.870 0.151 0.000 1.073 136 L CA 1.949 56.930 54.840 0.235 0.000 0.748 136 L CB -0.980 41.174 42.059 0.158 0.000 0.891 136 L HN 0.147 nan 8.230 nan 0.000 0.431 137 T N -1.266 113.345 114.554 0.094 0.000 2.720 137 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 137 T C 1.645 176.366 174.700 0.035 0.000 1.037 137 T CA 1.998 64.129 62.100 0.051 0.000 1.144 137 T CB -0.608 68.286 68.868 0.044 0.000 0.864 137 T HN 0.577 nan 8.240 nan 0.000 0.444 138 Y N 0.613 120.862 120.300 -0.085 0.000 2.145 138 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 138 Y C 2.050 177.883 175.900 -0.111 0.000 1.145 138 Y CA 1.076 59.084 58.100 -0.154 0.000 1.148 138 Y CB -0.648 37.648 38.460 -0.273 0.000 0.981 138 Y HN 0.337 nan 8.280 nan 0.000 0.507 139 Y N 0.504 120.796 120.300 -0.014 0.000 2.224 139 Y HA -0.217 4.333 4.550 -0.000 0.000 0.289 139 Y C 2.460 178.286 175.900 -0.122 0.000 1.146 139 Y CA 1.350 59.424 58.100 -0.044 0.000 1.182 139 Y CB -0.236 38.289 38.460 0.108 0.000 0.983 139 Y HN 0.207 nan 8.280 nan 0.000 0.524 140 E N 0.099 120.329 120.200 0.050 0.000 2.085 140 E HA -0.207 4.142 4.350 -0.000 0.000 0.194 140 E C 1.774 178.251 176.600 -0.204 0.000 0.994 140 E CA 1.182 57.553 56.400 -0.048 0.000 0.801 140 E CB -0.170 29.513 29.700 -0.029 0.000 0.743 140 E HN 0.473 nan 8.360 nan 0.000 0.453 141 N N 0.691 119.222 118.700 -0.282 0.000 2.142 141 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 141 N C 1.788 176.880 175.510 -0.696 0.000 1.023 141 N CA 0.865 53.634 53.050 -0.467 0.000 0.852 141 N CB -0.130 38.157 38.487 -0.334 0.000 0.998 141 N HN 0.125 nan 8.380 nan 0.000 0.424 142 I N 0.681 120.885 120.570 -0.611 0.000 2.179 142 I HA -0.101 4.069 4.170 -0.000 0.000 0.242 142 I C 2.390 178.179 176.117 -0.547 0.000 1.088 142 I CA 1.082 61.989 61.300 -0.656 0.000 1.357 142 I CB -1.788 35.626 38.000 -0.978 0.000 1.051 142 I HN 0.094 nan 8.210 nan 0.000 0.409 143 G N -0.211 108.383 108.800 -0.343 0.000 2.432 143 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 143 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 143 G C 1.878 176.650 174.900 -0.214 0.000 1.135 143 G CA 1.147 46.148 45.100 -0.166 0.000 0.767 143 G HN 0.427 nan 8.290 nan 0.000 0.550 144 S N -0.242 115.272 115.700 -0.310 0.000 2.368 144 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 144 S C 2.244 176.650 174.600 -0.324 0.000 1.030 144 S CA 1.392 59.408 58.200 -0.306 0.000 0.999 144 S CB -0.392 62.594 63.200 -0.357 0.000 0.844 144 S HN 0.554 nan 8.310 nan 0.000 0.459 145 H N 0.817 119.652 119.070 -0.391 0.000 2.389 145 H HA 0.087 4.643 4.556 -0.000 0.000 0.299 145 H C 2.205 177.277 175.328 -0.426 0.000 1.081 145 H CA 1.388 57.111 56.048 -0.542 0.000 1.345 145 H CB -0.653 28.433 29.762 -1.127 0.000 1.393 145 H HN 0.425 nan 8.280 nan 0.000 0.520 146 I N 0.849 121.269 120.570 -0.249 0.000 2.226 146 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 146 I C 2.701 178.786 176.117 -0.053 0.000 1.100 146 I CA 1.282 62.528 61.300 -0.090 0.000 1.374 146 I CB -0.147 37.817 38.000 -0.060 0.000 1.057 146 I HN 0.125 nan 8.210 nan 0.000 0.413 147 K N 0.811 121.166 120.400 -0.075 0.000 2.002 147 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 147 K C 1.819 178.396 176.600 -0.039 0.000 1.048 147 K CA 1.635 57.893 56.287 -0.048 0.000 0.930 147 K CB -0.037 32.428 32.500 -0.058 0.000 0.714 147 K HN 0.335 nan 8.250 nan 0.000 0.438 148 N N 0.093 118.762 118.700 -0.051 0.000 2.416 148 N HA -0.017 4.723 4.740 -0.000 0.000 0.177 148 N C 1.465 176.967 175.510 -0.014 0.000 1.036 148 N CA 0.761 53.794 53.050 -0.029 0.000 0.901 148 N CB 0.394 38.865 38.487 -0.028 0.000 0.976 148 N HN 0.224 nan 8.380 nan 0.000 0.444 149 L N -0.826 120.389 121.223 -0.013 0.000 2.749 149 L HA 0.294 4.634 4.340 -0.000 0.000 0.242 149 L C 1.400 178.295 176.870 0.041 0.000 1.103 149 L CA 0.078 54.927 54.840 0.016 0.000 0.906 149 L CB 0.106 42.180 42.059 0.025 0.000 1.228 149 L HN 0.021 nan 8.230 nan 0.000 0.517 150 G N 1.311 110.133 108.800 0.037 0.000 2.596 150 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.295 150 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.295 150 G C 0.387 175.327 174.900 0.066 0.000 1.240 150 G CA 0.630 45.756 45.100 0.045 0.000 0.985 150 G HN 0.236 nan 8.290 nan 0.000 0.555 151 D N 0.097 120.524 120.400 0.045 0.000 2.219 151 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 151 D C 2.681 179.000 176.300 0.032 0.000 0.970 151 D CA 1.741 55.763 54.000 0.036 0.000 0.851 151 D CB -0.613 40.210 40.800 0.038 0.000 0.943 151 D HN 0.431 nan 8.370 nan 0.000 0.488 152 T N -0.136 114.444 114.554 0.043 0.000 2.788 152 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 152 T C 1.740 176.465 174.700 0.041 0.000 1.044 152 T CA 0.890 63.011 62.100 0.036 0.000 1.139 152 T CB -0.352 68.538 68.868 0.036 0.000 0.867 152 T HN 0.257 nan 8.240 nan 0.000 0.454 153 Y N 1.632 121.894 120.300 -0.062 0.000 2.220 153 Y HA 0.075 4.625 4.550 -0.000 0.000 0.291 153 Y C 1.934 177.772 175.900 -0.103 0.000 1.129 153 Y CA 0.835 58.879 58.100 -0.094 0.000 1.161 153 Y CB -0.515 37.882 38.460 -0.104 0.000 0.997 153 Y HN 0.101 nan 8.280 nan 0.000 0.522 154 L N -0.058 121.016 121.223 -0.248 0.000 2.131 154 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 154 L C 2.764 179.536 176.870 -0.164 0.000 1.092 154 L CA 1.076 55.684 54.840 -0.385 0.000 0.759 154 L CB -0.972 40.895 42.059 -0.320 0.000 0.903 154 L HN 0.359 nan 8.230 nan 0.000 0.435 155 A N 0.143 122.925 122.820 -0.065 0.000 1.940 155 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 155 A C 2.436 180.000 177.584 -0.034 0.000 1.176 155 A CA 1.909 53.947 52.037 0.002 0.000 0.631 155 A CB -0.461 18.542 19.000 0.004 0.000 0.814 155 A HN 0.348 nan 8.150 nan 0.000 0.446 156 K N -0.340 119.989 120.400 -0.117 0.000 2.097 156 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 156 K C 1.493 178.014 176.600 -0.132 0.000 1.049 156 K CA 1.562 57.769 56.287 -0.133 0.000 0.933 156 K CB -0.199 32.188 32.500 -0.188 0.000 0.717 156 K HN 0.397 nan 8.250 nan 0.000 0.442 157 I N 1.587 122.042 120.570 -0.192 0.000 2.876 157 I HA 0.019 4.189 4.170 -0.000 0.000 0.264 157 I C 1.021 177.211 176.117 0.121 0.000 1.204 157 I CA 0.187 61.436 61.300 -0.085 0.000 1.485 157 I CB -1.453 36.429 38.000 -0.196 0.000 1.103 157 I HN 0.012 nan 8.210 nan 0.000 0.446 158 A N 1.103 124.038 122.820 0.191 0.000 2.545 158 A HA 0.387 4.707 4.320 -0.000 0.000 0.253 158 A C 1.547 179.151 177.584 0.034 0.000 1.074 158 A CA 0.834 52.968 52.037 0.161 0.000 0.760 158 A CB -0.656 18.426 19.000 0.138 0.000 1.005 158 A HN 0.784 nan 8.150 nan 0.000 0.506 159 G N 2.431 111.224 108.800 -0.011 0.000 2.159 159 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.256 159 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.256 159 G C 0.509 175.410 174.900 0.001 0.000 0.977 159 G CA 0.886 45.975 45.100 -0.018 0.000 0.652 159 G HN 1.890 nan 8.290 nan 0.000 0.531 160 T N -0.317 114.249 114.554 0.020 0.000 2.802 160 T HA 0.509 4.859 4.350 -0.000 0.000 0.305 160 T C -1.931 172.783 174.700 0.023 0.000 1.053 160 T CA -0.790 61.322 62.100 0.021 0.000 1.058 160 T CB 1.132 70.017 68.868 0.028 0.000 0.988 160 T HN 0.128 nan 8.240 nan 0.000 0.539 161 P HA 0.217 nan 4.420 nan 0.000 0.271 161 P C 0.347 177.671 177.300 0.039 0.000 1.216 161 P CA -0.466 62.649 63.100 0.025 0.000 0.776 161 P CB 0.585 32.297 31.700 0.019 0.000 0.881 162 S N -0.608 115.119 115.700 0.045 0.000 2.578 162 S HA 0.129 4.599 4.470 -0.000 0.000 0.231 162 S C 0.741 175.383 174.600 0.070 0.000 0.994 162 S CA -0.342 57.901 58.200 0.070 0.000 0.956 162 S CB -0.308 62.939 63.200 0.078 0.000 0.870 162 S HN 0.360 nan 8.310 nan 0.000 0.494 163 S N 2.687 118.414 115.700 0.045 0.000 2.537 163 S HA 0.237 4.707 4.470 -0.000 0.000 0.286 163 S C 1.248 175.859 174.600 0.019 0.000 1.299 163 S CA 0.421 58.640 58.200 0.032 0.000 1.067 163 S CB 0.502 63.715 63.200 0.021 0.000 0.864 163 S HN 0.624 nan 8.310 nan 0.000 0.494 164 T N 1.726 116.285 114.554 0.008 0.000 3.054 164 T HA 0.564 4.914 4.350 -0.000 0.000 0.255 164 T C 0.978 175.668 174.700 -0.017 0.000 1.035 164 T CA 0.342 62.432 62.100 -0.016 0.000 0.941 164 T CB -0.261 68.581 68.868 -0.043 0.000 1.026 164 T HN 1.292 nan 8.240 nan 0.000 0.533 165 G N 0.492 109.288 108.800 -0.006 0.000 2.342 165 G HA2 0.358 4.318 3.960 -0.000 0.000 0.220 165 G HA3 0.358 4.318 3.960 -0.000 0.000 0.220 165 G C -0.004 174.895 174.900 -0.003 0.000 1.243 165 G CA -0.243 44.853 45.100 -0.006 0.000 1.083 165 G HN 0.790 nan 8.290 nan 0.000 0.500 166 T N -0.266 114.285 114.554 -0.005 0.000 2.937 166 T HA 0.681 5.031 4.350 -0.000 0.000 0.316 166 T C 1.064 175.763 174.700 -0.003 0.000 1.079 166 T CA 1.741 63.839 62.100 -0.003 0.000 1.131 166 T CB 0.099 68.963 68.868 -0.005 0.000 1.000 166 T HN 2.323 nan 8.240 nan 0.000 0.549 167 A N 2.495 125.315 122.820 0.001 0.000 2.346 167 A HA 0.554 4.874 4.320 -0.000 0.000 0.252 167 A C 1.077 178.662 177.584 0.002 0.000 1.089 167 A CA 0.074 52.114 52.037 0.005 0.000 0.797 167 A CB -0.356 18.650 19.000 0.010 0.000 1.047 167 A HN 1.661 nan 8.150 nan 0.000 0.494 168 S N 0.087 115.791 115.700 0.006 0.000 3.746 168 S HA 0.205 4.675 4.470 -0.000 0.000 0.446 168 S C 0.509 175.114 174.600 0.009 0.000 1.133 168 S CA 0.605 58.810 58.200 0.009 0.000 1.060 168 S CB -1.026 62.185 63.200 0.019 0.000 0.729 168 S HN 1.249 nan 8.310 nan 0.000 0.510 169 K N 2.771 123.174 120.400 0.005 0.000 2.166 169 K HA 0.508 4.828 4.320 -0.000 0.000 0.273 169 K C 0.655 177.268 176.600 0.021 0.000 1.095 169 K CA 0.014 56.305 56.287 0.006 0.000 0.985 169 K CB -0.250 32.251 32.500 0.002 0.000 1.172 169 K HN 0.947 nan 8.250 nan 0.000 0.401 170 G N -0.446 108.371 108.800 0.028 0.000 3.107 170 G HA2 0.563 4.523 3.960 -0.000 0.000 0.232 170 G HA3 0.563 4.523 3.960 -0.000 0.000 0.232 170 G C 0.330 175.285 174.900 0.091 0.000 1.339 170 G CA -0.231 44.910 45.100 0.068 0.000 1.033 170 G HN 0.505 nan 8.290 nan 0.000 0.567 171 F N 0.266 120.217 119.950 0.002 0.000 2.164 171 F HA 0.190 4.716 4.527 -0.000 0.000 0.287 171 F C 1.766 177.568 175.800 0.002 0.000 1.086 171 F CA 1.141 59.142 58.000 0.002 0.000 1.249 171 F CB -0.301 38.701 39.000 0.002 0.000 1.059 171 F HN 0.289 nan 8.300 nan 0.000 0.490 172 V N 0.000 119.960 119.914 0.077 0.000 2.409 172 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 172 V CA 0.000 62.270 62.300 -0.050 0.000 1.235 172 V CB 0.000 31.868 31.823 0.075 0.000 1.184 172 V HN 0.000 nan 8.190 nan 0.000 0.556