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 2r6t_1_B DATA FIRST_RESID 3 DATA SEQUENCE IYTKNGDKGQ TRIIGKXILY KNDPRVAAYG EVDELNSWVG YTKSLINSHT DATA SEQUENCE QVLSNELEEI QQLLFDCGHD LATPADXXXH SFKFKQEQPT VWLEEKIDNY DATA SEQUENCE TQVVPAVKKF ILPGGTQLAS ALHVARTITK RAERQIVQLM REEQINQDVL DATA SEQUENCE IFINRLSDYF FAAARYANYL EQQPDMLYR 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.134 176.117 0.028 0.000 1.063 3 I CA 0.000 61.281 61.300 -0.032 0.000 1.566 3 I CB 0.000 38.031 38.000 0.052 0.000 1.214 4 Y N 2.906 123.218 120.300 0.021 0.000 2.452 4 Y HA 0.712 5.263 4.550 0.001 0.000 0.348 4 Y C 1.535 177.443 175.900 0.014 0.000 0.985 4 Y CA -0.104 58.007 58.100 0.018 0.000 1.214 4 Y CB 0.577 39.047 38.460 0.017 0.000 1.136 4 Y HN 0.183 nan 8.280 nan 0.000 0.523 5 T N -0.660 113.950 114.554 0.094 0.000 3.010 5 T HA 0.108 4.458 4.350 0.001 0.000 0.252 5 T C 0.864 175.616 174.700 0.086 0.000 1.047 5 T CA 0.758 62.884 62.100 0.044 0.000 1.140 5 T CB -0.238 68.642 68.868 0.019 0.000 0.885 5 T HN 0.831 nan 8.240 nan 0.000 0.464 6 K N -0.369 120.095 120.400 0.106 0.000 3.510 6 K HA -0.141 4.179 4.320 0.001 0.000 0.280 6 K C 0.679 177.305 176.600 0.043 0.000 1.307 6 K CA 0.728 57.065 56.287 0.083 0.000 0.955 6 K CB -1.823 30.732 32.500 0.091 0.000 1.363 6 K HN 0.260 nan 8.250 nan 0.000 0.492 7 N N 0.535 119.254 118.700 0.031 0.000 2.443 7 N HA -0.073 4.668 4.740 0.001 0.000 0.184 7 N C 1.604 177.113 175.510 -0.001 0.000 1.037 7 N CA 1.664 54.719 53.050 0.008 0.000 0.896 7 N CB -0.070 38.416 38.487 -0.001 0.000 0.959 7 N HN 0.525 nan 8.380 nan 0.000 0.442 8 G N -0.376 108.432 108.800 0.013 0.000 3.020 8 G HA2 -0.043 3.918 3.960 0.001 0.000 0.217 8 G HA3 -0.043 3.918 3.960 0.001 0.000 0.217 8 G C 0.883 175.792 174.900 0.015 0.000 1.144 8 G CA -0.148 44.958 45.100 0.009 0.000 0.760 8 G HN 0.075 nan 8.290 nan 0.000 0.548 9 D N 0.939 121.350 120.400 0.019 0.000 2.190 9 D HA -0.063 4.578 4.640 0.001 0.000 0.200 9 D C 2.099 178.410 176.300 0.018 0.000 0.992 9 D CA 0.775 54.787 54.000 0.020 0.000 0.854 9 D CB 0.100 40.913 40.800 0.021 0.000 0.936 9 D HN 0.209 nan 8.370 nan 0.000 0.462 10 K N -0.788 119.618 120.400 0.010 0.000 2.469 10 K HA 0.390 4.711 4.320 0.001 0.000 0.201 10 K C 1.246 177.860 176.600 0.024 0.000 1.028 10 K CA 0.416 56.712 56.287 0.016 0.000 1.170 10 K CB 0.182 32.685 32.500 0.005 0.000 0.874 10 K HN 0.373 nan 8.250 nan 0.000 0.507 11 G N 0.888 109.701 108.800 0.021 0.000 2.136 11 G HA2 -0.274 3.687 3.960 0.001 0.000 0.242 11 G HA3 -0.274 3.687 3.960 0.001 0.000 0.242 11 G C -0.102 174.795 174.900 -0.004 0.000 0.989 11 G CA 0.221 45.349 45.100 0.047 0.000 0.682 11 G HN 0.495 nan 8.290 nan 0.000 0.522 12 Q N -1.124 118.620 119.800 -0.092 0.000 2.418 12 Q HA 0.839 5.180 4.340 0.001 0.000 0.276 12 Q C -0.269 175.676 176.000 -0.090 0.000 1.081 12 Q CA -0.239 55.455 55.803 -0.182 0.000 0.864 12 Q CB 2.406 30.944 28.738 -0.333 0.000 1.384 12 Q HN 0.274 nan 8.270 nan 0.000 0.467 13 T N -0.661 113.838 114.554 -0.091 0.000 2.775 13 T HA 0.328 4.679 4.350 0.001 0.000 0.320 13 T C -1.672 172.989 174.700 -0.064 0.000 1.597 13 T CA -0.713 61.357 62.100 -0.051 0.000 1.022 13 T CB 1.140 70.001 68.868 -0.011 0.000 1.485 13 T HN 0.466 nan 8.240 nan 0.000 0.494 14 R N 1.725 122.189 120.500 -0.059 0.000 2.549 14 R HA 0.709 5.050 4.340 0.001 0.000 0.267 14 R C 0.495 176.733 176.300 -0.102 0.000 1.045 14 R CA -0.641 55.415 56.100 -0.074 0.000 1.115 14 R CB 0.778 31.039 30.300 -0.065 0.000 1.121 14 R HN 0.703 nan 8.270 nan 0.000 0.543 15 I N -1.936 118.562 120.570 -0.119 0.000 3.861 15 I HA 0.433 4.604 4.170 0.001 0.000 0.262 15 I C 0.077 176.088 176.117 -0.177 0.000 1.269 15 I CA -1.182 60.010 61.300 -0.181 0.000 1.140 15 I CB 0.588 38.494 38.000 -0.158 0.000 1.424 15 I HN 0.190 nan 8.210 nan 0.000 0.527 16 I N 2.198 122.639 120.570 -0.215 0.000 2.421 16 I HA 0.287 4.457 4.170 0.001 0.000 0.291 16 I C 0.962 177.001 176.117 -0.129 0.000 1.089 16 I CA 0.588 61.777 61.300 -0.186 0.000 1.354 16 I CB -0.677 37.166 38.000 -0.261 0.000 1.413 16 I HN 1.046 nan 8.210 nan 0.000 0.513 17 G N 3.693 112.436 108.800 -0.095 0.000 2.164 17 G HA2 0.082 4.042 3.960 0.001 0.000 0.154 17 G HA3 0.082 4.042 3.960 0.001 0.000 0.154 17 G C 0.401 175.265 174.900 -0.060 0.000 1.014 17 G CA 0.517 45.574 45.100 -0.072 0.000 0.683 17 G HN 1.079 nan 8.290 nan 0.000 0.500 21 L N 4.335 125.507 121.223 -0.086 0.000 2.309 21 L HA 0.578 4.918 4.340 0.001 0.000 0.261 21 L C -0.738 176.078 176.870 -0.091 0.000 1.021 21 L CA -1.094 53.726 54.840 -0.032 0.000 0.823 21 L CB 2.096 44.166 42.059 0.019 0.000 1.366 21 L HN 0.322 nan 8.230 nan 0.000 0.423 22 Y N 0.333 120.636 120.300 0.005 0.000 2.336 22 Y HA 0.086 4.637 4.550 0.001 0.000 0.331 22 Y C 1.290 177.199 175.900 0.016 0.000 1.211 22 Y CA -0.023 58.083 58.100 0.010 0.000 1.346 22 Y CB 0.865 39.331 38.460 0.009 0.000 1.271 22 Y HN 0.454 nan 8.280 nan 0.000 0.538 23 K N 1.124 121.621 120.400 0.162 0.000 2.280 23 K HA -0.165 4.156 4.320 0.001 0.000 0.202 23 K C 1.287 177.951 176.600 0.106 0.000 1.047 23 K CA 1.220 57.572 56.287 0.108 0.000 0.942 23 K CB -0.051 32.500 32.500 0.084 0.000 0.739 23 K HN 0.658 nan 8.250 nan 0.000 0.457 24 N N 0.591 119.363 118.700 0.119 0.000 2.461 24 N HA -0.120 4.621 4.740 0.001 0.000 0.188 24 N C -0.002 175.551 175.510 0.071 0.000 1.134 24 N CA 0.379 53.476 53.050 0.077 0.000 0.878 24 N CB -0.192 38.325 38.487 0.050 0.000 0.972 24 N HN 0.074 nan 8.380 nan 0.000 0.456 25 D N 1.897 122.356 120.400 0.098 0.000 2.571 25 D HA -0.046 4.595 4.640 0.001 0.000 0.231 25 D C -1.311 175.026 176.300 0.062 0.000 1.133 25 D CA -0.934 53.115 54.000 0.081 0.000 0.862 25 D CB 1.563 42.419 40.800 0.093 0.000 1.179 25 D HN 0.033 nan 8.370 nan 0.000 0.474 26 P HA -0.180 nan 4.420 nan 0.000 0.216 26 P C 1.355 178.689 177.300 0.055 0.000 1.154 26 P CA 1.280 64.407 63.100 0.045 0.000 0.865 26 P CB 0.095 31.817 31.700 0.037 0.000 0.789 27 R N -0.086 120.449 120.500 0.058 0.000 2.061 27 R HA -0.105 4.235 4.340 0.001 0.000 0.230 27 R C 1.968 178.326 176.300 0.096 0.000 1.140 27 R CA 1.790 57.928 56.100 0.064 0.000 0.940 27 R CB -1.046 29.278 30.300 0.040 0.000 0.839 27 R HN -0.055 nan 8.270 nan 0.000 0.429 28 V N 1.620 121.589 119.914 0.092 0.000 2.278 28 V HA -0.327 3.794 4.120 0.001 0.000 0.251 28 V C 2.585 178.768 176.094 0.149 0.000 1.062 28 V CA 2.159 64.541 62.300 0.138 0.000 1.038 28 V CB -1.048 30.836 31.823 0.103 0.000 0.646 28 V HN 0.614 nan 8.190 nan 0.000 0.447 29 A N -0.169 122.708 122.820 0.095 0.000 1.902 29 A HA -0.075 4.245 4.320 0.001 0.000 0.217 29 A C 2.444 180.062 177.584 0.057 0.000 1.181 29 A CA 2.154 54.230 52.037 0.064 0.000 0.623 29 A CB -0.824 18.204 19.000 0.046 0.000 0.818 29 A HN 0.611 nan 8.150 nan 0.000 0.443 30 A N -1.320 121.543 122.820 0.071 0.000 1.877 30 A HA -0.133 4.188 4.320 0.001 0.000 0.216 30 A C 2.178 179.808 177.584 0.077 0.000 1.186 30 A CA 1.753 53.829 52.037 0.064 0.000 0.620 30 A CB -0.889 18.151 19.000 0.067 0.000 0.822 30 A HN 0.796 nan 8.150 nan 0.000 0.443 31 Y N 0.827 121.125 120.300 -0.004 0.000 2.181 31 Y HA -0.030 4.520 4.550 0.001 0.000 0.288 31 Y C 2.373 178.269 175.900 -0.007 0.000 1.146 31 Y CA 1.469 59.559 58.100 -0.018 0.000 1.164 31 Y CB -0.753 37.689 38.460 -0.029 0.000 0.982 31 Y HN 0.196 nan 8.280 nan 0.000 0.515 32 G N -0.595 108.140 108.800 -0.110 0.000 2.408 32 G HA2 -0.231 3.729 3.960 0.001 0.000 0.217 32 G HA3 -0.231 3.729 3.960 0.001 0.000 0.217 32 G C 1.453 176.286 174.900 -0.112 0.000 1.150 32 G CA 0.877 45.885 45.100 -0.153 0.000 0.776 32 G HN 0.391 nan 8.290 nan 0.000 0.542 33 E N 0.021 120.186 120.200 -0.057 0.000 2.077 33 E HA -0.064 4.286 4.350 0.001 0.000 0.193 33 E C 2.746 179.323 176.600 -0.039 0.000 0.989 33 E CA 0.564 56.943 56.400 -0.035 0.000 0.800 33 E CB -0.248 29.446 29.700 -0.010 0.000 0.746 33 E HN 0.220 nan 8.360 nan 0.000 0.452 34 V N 0.937 120.812 119.914 -0.066 0.000 2.295 34 V HA -0.244 3.877 4.120 0.001 0.000 0.246 34 V C 2.003 178.060 176.094 -0.062 0.000 1.049 34 V CA 2.041 64.311 62.300 -0.050 0.000 1.024 34 V CB -0.545 31.242 31.823 -0.059 0.000 0.648 34 V HN 0.306 nan 8.190 nan 0.000 0.447 35 D N -0.042 120.251 120.400 -0.177 0.000 2.149 35 D HA -0.221 4.419 4.640 0.001 0.000 0.198 35 D C 2.219 178.506 176.300 -0.021 0.000 0.990 35 D CA 1.582 55.501 54.000 -0.135 0.000 0.839 35 D CB -0.078 40.552 40.800 -0.283 0.000 0.948 35 D HN 0.560 nan 8.370 nan 0.000 0.460 36 E N -0.839 119.349 120.200 -0.020 0.000 2.077 36 E HA -0.184 4.166 4.350 0.001 0.000 0.193 36 E C 2.143 178.801 176.600 0.096 0.000 0.989 36 E CA 0.652 57.073 56.400 0.035 0.000 0.800 36 E CB -0.145 29.560 29.700 0.008 0.000 0.746 36 E HN 0.258 nan 8.360 nan 0.000 0.452 37 L N 1.356 122.630 121.223 0.085 0.000 2.017 37 L HA -0.177 4.164 4.340 0.001 0.000 0.208 37 L C 1.874 178.864 176.870 0.200 0.000 1.073 37 L CA 2.101 57.026 54.840 0.143 0.000 0.745 37 L CB -0.861 41.271 42.059 0.122 0.000 0.894 37 L HN 0.152 nan 8.230 nan 0.000 0.432 38 N N -1.238 117.560 118.700 0.163 0.000 2.036 38 N HA -0.255 4.486 4.740 0.001 0.000 0.195 38 N C 1.814 177.424 175.510 0.167 0.000 1.037 38 N CA 1.593 54.749 53.050 0.176 0.000 0.855 38 N CB -0.060 38.526 38.487 0.165 0.000 1.033 38 N HN 0.422 nan 8.380 nan 0.000 0.423 39 S N -0.146 115.646 115.700 0.153 0.000 2.387 39 S HA -0.184 4.287 4.470 0.001 0.000 0.230 39 S C 1.344 176.066 174.600 0.203 0.000 1.035 39 S CA 0.945 59.237 58.200 0.154 0.000 1.014 39 S CB -0.429 62.850 63.200 0.132 0.000 0.836 39 S HN 0.538 nan 8.310 nan 0.000 0.466 40 W N 1.930 123.273 121.300 0.072 0.000 2.418 40 W HA -0.067 4.594 4.660 0.002 0.000 0.292 40 W C 1.663 178.249 176.519 0.112 0.000 1.213 40 W CA 0.686 58.085 57.345 0.089 0.000 1.283 40 W CB -0.222 29.246 29.460 0.014 0.000 1.119 40 W HN 0.092 nan 8.180 nan 0.000 0.542 41 V N 1.358 121.338 119.914 0.110 0.000 2.343 41 V HA -0.240 3.880 4.120 0.001 0.000 0.247 41 V C 2.716 178.804 176.094 -0.009 0.000 1.051 41 V CA 2.187 64.529 62.300 0.071 0.000 1.036 41 V CB -1.611 30.362 31.823 0.249 0.000 0.654 41 V HN 0.316 nan 8.190 nan 0.000 0.451 42 G N -1.262 107.553 108.800 0.026 0.000 2.446 42 G HA2 -0.367 3.594 3.960 0.001 0.000 0.217 42 G HA3 -0.367 3.594 3.960 0.001 0.000 0.217 42 G C 1.571 176.413 174.900 -0.096 0.000 1.168 42 G CA 1.315 46.414 45.100 -0.002 0.000 0.771 42 G HN 0.549 nan 8.290 nan 0.000 0.551 43 Y N 1.984 122.119 120.300 -0.274 0.000 2.165 43 Y HA -0.155 4.396 4.550 0.002 0.000 0.286 43 Y C 3.094 178.685 175.900 -0.515 0.000 1.155 43 Y CA 2.186 60.030 58.100 -0.426 0.000 1.164 43 Y CB -0.480 37.614 38.460 -0.609 0.000 0.978 43 Y HN 0.207 nan 8.280 nan 0.000 0.513 44 T N 0.247 114.391 114.554 -0.683 0.000 2.746 44 T HA -0.188 4.163 4.350 0.001 0.000 0.267 44 T C 1.890 176.410 174.700 -0.301 0.000 1.039 44 T CA 1.646 63.428 62.100 -0.528 0.000 1.142 44 T CB -0.230 68.427 68.868 -0.351 0.000 0.866 44 T HN 0.251 nan 8.240 nan 0.000 0.444 45 K N 1.175 121.461 120.400 -0.190 0.000 2.147 45 K HA -0.091 4.230 4.320 0.001 0.000 0.205 45 K C 2.517 179.030 176.600 -0.145 0.000 1.049 45 K CA 1.363 57.591 56.287 -0.098 0.000 0.936 45 K CB -0.133 32.353 32.500 -0.023 0.000 0.722 45 K HN 0.438 nan 8.250 nan 0.000 0.446 46 S N 0.272 115.830 115.700 -0.236 0.000 2.474 46 S HA -0.055 4.415 4.470 0.001 0.000 0.235 46 S C 1.663 176.112 174.600 -0.252 0.000 0.997 46 S CA 0.571 58.633 58.200 -0.230 0.000 0.949 46 S CB -0.252 62.792 63.200 -0.260 0.000 0.766 46 S HN 0.284 nan 8.310 nan 0.000 0.517 47 L N 0.570 121.606 121.223 -0.310 0.000 2.558 47 L HA 0.387 4.727 4.340 0.001 0.000 0.225 47 L C 0.598 177.386 176.870 -0.137 0.000 1.128 47 L CA -0.133 54.558 54.840 -0.248 0.000 0.868 47 L CB -0.435 41.444 42.059 -0.300 0.000 1.006 47 L HN 0.255 nan 8.230 nan 0.000 0.454 48 I N 1.918 122.424 120.570 -0.107 0.000 2.775 48 I HA -0.116 4.054 4.170 0.001 0.000 0.290 48 I C 0.369 176.463 176.117 -0.039 0.000 1.203 48 I CA 0.225 61.492 61.300 -0.055 0.000 1.433 48 I CB 0.303 38.285 38.000 -0.030 0.000 1.354 48 I HN 0.362 nan 8.210 nan 0.000 0.579 49 N N 2.388 121.079 118.700 -0.015 0.000 3.002 49 N HA 0.258 4.999 4.740 0.001 0.000 0.331 49 N C 0.537 176.059 175.510 0.020 0.000 1.384 49 N CA -0.323 52.732 53.050 0.008 0.000 0.780 49 N CB 0.361 38.867 38.487 0.032 0.000 1.492 49 N HN 0.447 nan 8.380 nan 0.000 0.608 50 S N -1.800 113.912 115.700 0.019 0.000 2.419 50 S HA -0.188 4.283 4.470 0.001 0.000 0.233 50 S C 1.165 175.714 174.600 -0.084 0.000 1.016 50 S CA 0.686 58.861 58.200 -0.042 0.000 0.974 50 S CB -1.017 62.131 63.200 -0.087 0.000 0.786 50 S HN 0.567 nan 8.310 nan 0.000 0.492 51 H N 1.743 120.773 119.070 -0.066 0.000 2.457 51 H HA 0.002 4.559 4.556 0.002 0.000 0.294 51 H C 1.811 177.075 175.328 -0.105 0.000 1.064 51 H CA 1.702 57.694 56.048 -0.093 0.000 1.330 51 H CB -0.125 29.569 29.762 -0.114 0.000 1.395 51 H HN 0.756 nan 8.280 nan 0.000 0.541 52 T N -2.322 112.253 114.554 0.036 0.000 3.132 52 T HA 0.059 4.409 4.350 0.001 0.000 0.274 52 T C 1.564 176.269 174.700 0.008 0.000 1.011 52 T CA -0.196 61.894 62.100 -0.016 0.000 0.899 52 T CB 0.666 69.513 68.868 -0.036 0.000 1.089 52 T HN -0.018 nan 8.240 nan 0.000 0.543 53 Q N 2.335 122.142 119.800 0.012 0.000 2.135 53 Q HA -0.099 4.241 4.340 0.001 0.000 0.204 53 Q C 2.256 178.290 176.000 0.058 0.000 0.981 53 Q CA 2.138 57.957 55.803 0.026 0.000 0.856 53 Q CB -0.937 27.808 28.738 0.011 0.000 0.902 53 Q HN 0.633 nan 8.270 nan 0.000 0.425 54 V N -1.708 118.247 119.914 0.068 0.000 2.794 54 V HA -0.208 3.913 4.120 0.001 0.000 0.260 54 V C 1.727 177.924 176.094 0.172 0.000 1.103 54 V CA 1.831 64.205 62.300 0.123 0.000 1.125 54 V CB -0.673 31.244 31.823 0.157 0.000 0.702 54 V HN 0.364 nan 8.190 nan 0.000 0.494 55 L N 0.047 121.359 121.223 0.150 0.000 2.529 55 L HA 0.116 4.456 4.340 0.001 0.000 0.223 55 L C 2.715 179.693 176.870 0.180 0.000 1.113 55 L CA 0.987 55.946 54.840 0.198 0.000 0.861 55 L CB -0.234 41.929 42.059 0.174 0.000 1.012 55 L HN 0.383 nan 8.230 nan 0.000 0.461 56 S N 0.859 116.635 115.700 0.128 0.000 2.353 56 S HA -0.253 4.218 4.470 0.001 0.000 0.222 56 S C 1.802 176.483 174.600 0.134 0.000 1.035 56 S CA 2.283 60.547 58.200 0.107 0.000 1.025 56 S CB -0.138 63.103 63.200 0.068 0.000 0.902 56 S HN 0.486 nan 8.310 nan 0.000 0.440 57 N N 1.018 119.804 118.700 0.144 0.000 2.120 57 N HA -0.128 4.613 4.740 0.001 0.000 0.188 57 N C 1.864 177.505 175.510 0.220 0.000 1.024 57 N CA 1.762 54.905 53.050 0.154 0.000 0.852 57 N CB -0.243 38.331 38.487 0.145 0.000 1.003 57 N HN 0.747 nan 8.380 nan 0.000 0.424 58 E N 0.265 120.634 120.200 0.283 0.000 2.204 58 E HA -0.153 4.198 4.350 0.001 0.000 0.194 58 E C 1.806 178.614 176.600 0.347 0.000 0.989 58 E CA 0.767 57.409 56.400 0.403 0.000 0.824 58 E CB -0.381 29.490 29.700 0.284 0.000 0.756 58 E HN 0.408 nan 8.360 nan 0.000 0.477 59 L N 1.238 122.628 121.223 0.279 0.000 2.109 59 L HA -0.121 4.220 4.340 0.001 0.000 0.207 59 L C 2.913 179.911 176.870 0.213 0.000 1.086 59 L CA 1.233 56.236 54.840 0.271 0.000 0.760 59 L CB -0.533 41.680 42.059 0.257 0.000 0.910 59 L HN 0.186 nan 8.230 nan 0.000 0.437 60 E N 1.022 121.321 120.200 0.165 0.000 2.058 60 E HA -0.295 4.056 4.350 0.001 0.000 0.194 60 E C 1.931 178.593 176.600 0.103 0.000 0.997 60 E CA 1.835 58.304 56.400 0.114 0.000 0.801 60 E CB 0.081 29.832 29.700 0.084 0.000 0.746 60 E HN 0.379 nan 8.360 nan 0.000 0.450 61 E N 0.959 121.226 120.200 0.112 0.000 2.038 61 E HA -0.151 4.199 4.350 0.001 0.000 0.195 61 E C 2.306 178.952 176.600 0.077 0.000 1.000 61 E CA 1.663 58.076 56.400 0.022 0.000 0.803 61 E CB -0.602 29.035 29.700 -0.106 0.000 0.750 61 E HN 0.426 nan 8.360 nan 0.000 0.448 62 I N 0.702 121.397 120.570 0.208 0.000 2.194 62 I HA -0.382 3.788 4.170 0.001 0.000 0.246 62 I C 2.604 178.871 176.117 0.250 0.000 1.093 62 I CA 1.689 63.154 61.300 0.276 0.000 1.355 62 I CB -0.499 37.660 38.000 0.265 0.000 1.046 62 I HN 0.256 nan 8.210 nan 0.000 0.413 63 Q N 0.275 120.198 119.800 0.206 0.000 2.061 63 Q HA -0.259 4.082 4.340 0.001 0.000 0.204 63 Q C 2.312 178.413 176.000 0.169 0.000 0.984 63 Q CA 1.388 57.301 55.803 0.183 0.000 0.846 63 Q CB -0.271 28.549 28.738 0.136 0.000 0.902 63 Q HN 0.594 nan 8.270 nan 0.000 0.421 64 Q N 0.554 120.420 119.800 0.110 0.000 2.061 64 Q HA -0.122 4.218 4.340 0.001 0.000 0.204 64 Q C 2.328 178.406 176.000 0.131 0.000 0.984 64 Q CA 1.153 57.008 55.803 0.087 0.000 0.846 64 Q CB -0.415 28.329 28.738 0.010 0.000 0.902 64 Q HN 0.436 nan 8.270 nan 0.000 0.421 65 L N 0.302 121.583 121.223 0.097 0.000 2.046 65 L HA -0.175 4.166 4.340 0.001 0.000 0.208 65 L C 2.509 179.407 176.870 0.047 0.000 1.077 65 L CA 0.806 55.679 54.840 0.054 0.000 0.747 65 L CB -0.569 41.477 42.059 -0.022 0.000 0.896 65 L HN 0.166 nan 8.230 nan 0.000 0.432 66 L N -1.448 119.887 121.223 0.186 0.000 2.131 66 L HA -0.247 4.094 4.340 0.001 0.000 0.210 66 L C 2.551 179.489 176.870 0.114 0.000 1.092 66 L CA 1.189 56.123 54.840 0.157 0.000 0.759 66 L CB -0.516 41.668 42.059 0.208 0.000 0.903 66 L HN 0.159 nan 8.230 nan 0.000 0.435 67 F N 1.233 121.210 119.950 0.045 0.000 2.102 67 F HA -0.252 4.276 4.527 0.001 0.000 0.298 67 F C 2.296 178.144 175.800 0.081 0.000 1.105 67 F CA 1.740 59.780 58.000 0.067 0.000 1.239 67 F CB -0.150 38.890 39.000 0.066 0.000 0.991 67 F HN 0.145 nan 8.300 nan 0.000 0.474 68 D N -0.385 120.102 120.400 0.144 0.000 2.097 68 D HA -0.200 4.441 4.640 0.001 0.000 0.195 68 D C 2.552 178.822 176.300 -0.049 0.000 0.989 68 D CA 1.712 55.753 54.000 0.069 0.000 0.827 68 D CB -1.031 39.868 40.800 0.166 0.000 0.966 68 D HN 0.313 nan 8.370 nan 0.000 0.456 69 C N 1.142 120.264 119.300 -0.296 0.000 2.393 69 C HA -0.121 4.340 4.460 0.001 0.000 0.276 69 C C 2.852 177.797 174.990 -0.074 0.000 1.215 69 C CA 1.147 59.962 59.018 -0.338 0.000 1.743 69 C CB -1.354 26.171 27.740 -0.360 0.000 2.044 69 C HN 0.477 nan 8.230 nan 0.000 0.464 70 G N -0.522 108.253 108.800 -0.042 0.000 2.459 70 G HA2 -0.322 3.638 3.960 0.001 0.000 0.217 70 G HA3 -0.322 3.638 3.960 0.001 0.000 0.217 70 G C 1.437 176.458 174.900 0.202 0.000 1.183 70 G CA 1.390 46.532 45.100 0.070 0.000 0.776 70 G HN 0.725 nan 8.290 nan 0.000 0.552 71 H N 1.454 120.487 119.070 -0.062 0.000 2.289 71 H HA -0.132 4.424 4.556 0.001 0.000 0.294 71 H C 2.025 177.367 175.328 0.024 0.000 1.095 71 H CA 2.144 58.156 56.048 -0.061 0.000 1.256 71 H CB -0.385 29.341 29.762 -0.059 0.000 1.359 71 H HN 0.240 nan 8.280 nan 0.000 0.487 72 D N 0.289 120.865 120.400 0.293 0.000 2.219 72 D HA -0.063 4.578 4.640 0.001 0.000 0.205 72 D C 2.591 179.012 176.300 0.201 0.000 0.970 72 D CA 0.501 54.697 54.000 0.328 0.000 0.851 72 D CB -0.191 40.762 40.800 0.255 0.000 0.943 72 D HN 0.384 nan 8.370 nan 0.000 0.488 73 L N 0.054 121.340 121.223 0.104 0.000 2.156 73 L HA 0.008 4.349 4.340 0.001 0.000 0.208 73 L C 2.108 178.999 176.870 0.035 0.000 1.095 73 L CA 0.738 55.632 54.840 0.091 0.000 0.770 73 L CB -0.172 41.953 42.059 0.110 0.000 0.914 73 L HN -0.038 nan 8.230 nan 0.000 0.439 74 A N -1.145 121.616 122.820 -0.098 0.000 2.238 74 A HA 0.053 4.374 4.320 0.001 0.000 0.208 74 A C 0.799 178.258 177.584 -0.208 0.000 1.177 74 A CA 0.388 52.256 52.037 -0.281 0.000 0.804 74 A CB -0.459 18.147 19.000 -0.657 0.000 0.823 74 A HN 0.249 nan 8.150 nan 0.000 0.482 75 T N 2.887 117.383 114.554 -0.098 0.000 2.743 75 T HA 0.475 4.825 4.350 0.001 0.000 0.292 75 T C -2.817 171.876 174.700 -0.012 0.000 0.972 75 T CA -1.173 60.873 62.100 -0.089 0.000 0.967 75 T CB 1.398 70.216 68.868 -0.083 0.000 0.926 75 T HN 0.077 nan 8.240 nan 0.000 0.459 76 P HA 0.283 nan 4.420 nan 0.000 0.271 76 P C 0.440 177.660 177.300 -0.132 0.000 1.218 76 P CA -0.427 62.644 63.100 -0.048 0.000 0.780 76 P CB 0.561 32.228 31.700 -0.056 0.000 0.901 77 A N 0.755 123.531 122.820 -0.073 0.000 2.066 77 A HA 0.226 4.546 4.320 0.001 0.000 0.218 77 A C 1.070 178.558 177.584 -0.159 0.000 1.157 77 A CA 1.937 53.879 52.037 -0.158 0.000 0.670 77 A CB -1.267 17.761 19.000 0.046 0.000 0.804 77 A HN 0.673 nan 8.150 nan 0.000 0.453 83 S N 0.079 115.689 115.700 -0.150 0.000 2.971 83 S HA 0.056 4.527 4.470 0.001 0.000 0.856 83 S C -0.516 174.078 174.600 -0.010 0.000 0.951 83 S CA 0.203 58.301 58.200 -0.170 0.000 1.380 83 S CB -1.912 nan 63.200 nan 0.000 0.986 83 S HN 0.410 nan 8.310 nan 0.000 0.235 84 F N 2.300 122.303 119.950 0.089 0.000 2.541 84 F HA 0.504 5.032 4.527 0.001 0.000 0.378 84 F C 1.656 177.512 175.800 0.094 0.000 1.068 84 F CA 0.575 58.644 58.000 0.116 0.000 1.199 84 F CB 0.439 39.496 39.000 0.095 0.000 1.091 84 F HN 1.075 nan 8.300 nan 0.000 0.555 85 K N 3.966 124.557 120.400 0.317 0.000 2.323 85 K HA 0.065 4.385 4.320 0.001 0.000 0.197 85 K C 0.242 176.917 176.600 0.126 0.000 1.043 85 K CA 0.332 56.695 56.287 0.127 0.000 0.997 85 K CB -0.509 31.956 32.500 -0.058 0.000 0.807 85 K HN 0.474 nan 8.250 nan 0.000 0.497 86 F N 1.993 121.954 119.950 0.018 0.000 2.411 86 F HA 0.502 5.030 4.527 0.001 0.000 0.350 86 F C 0.197 175.954 175.800 -0.072 0.000 1.114 86 F CA -0.865 57.098 58.000 -0.062 0.000 1.135 86 F CB 1.104 40.055 39.000 -0.082 0.000 1.120 86 F HN 0.139 nan 8.300 nan 0.000 0.495 87 K N 4.633 124.548 120.400 -0.808 0.000 2.376 87 K HA 0.417 4.738 4.320 0.001 0.000 0.257 87 K C 0.001 176.043 176.600 -0.930 0.000 0.939 87 K CA -0.270 55.644 56.287 -0.622 0.000 0.809 87 K CB 1.296 nan 32.500 nan 0.000 1.121 87 K HN 0.781 nan 8.250 nan 0.000 0.425 88 Q N 0.591 120.043 119.800 -0.580 0.000 2.331 88 Q HA 0.055 4.396 4.340 0.001 0.000 0.203 88 Q C 1.757 177.649 176.000 -0.180 0.000 0.944 88 Q CA 1.723 57.298 55.803 -0.380 0.000 0.892 88 Q CB -0.191 28.548 28.738 0.002 0.000 0.983 88 Q HN 0.828 nan 8.270 nan 0.000 0.482 89 E N 1.237 121.344 120.200 -0.155 0.000 2.035 89 E HA -0.318 4.033 4.350 0.001 0.000 0.204 89 E C 2.225 178.794 176.600 -0.051 0.000 1.025 89 E CA 2.809 59.165 56.400 -0.073 0.000 0.835 89 E CB -1.594 28.063 29.700 -0.071 0.000 0.764 89 E HN 0.746 nan 8.360 nan 0.000 0.457 90 Q N 0.409 120.150 119.800 -0.098 0.000 1.993 90 Q HA -0.049 4.292 4.340 0.001 0.000 0.202 90 Q C 1.033 177.022 176.000 -0.018 0.000 0.984 90 Q CA 2.186 57.949 55.803 -0.067 0.000 0.837 90 Q CB -2.079 26.587 28.738 -0.119 0.000 0.902 90 Q HN 0.590 nan 8.270 nan 0.000 0.423 91 P HA -0.195 nan 4.420 nan 0.000 0.217 91 P C 1.521 179.027 177.300 0.343 0.000 1.162 91 P CA 2.296 65.400 63.100 0.006 0.000 0.901 91 P CB -0.395 31.135 31.700 -0.284 0.000 0.793 92 T N -1.051 113.675 114.554 0.287 0.000 2.777 92 T HA -0.097 4.253 4.350 0.001 0.000 0.266 92 T C 2.124 176.945 174.700 0.202 0.000 1.040 92 T CA 1.588 63.881 62.100 0.322 0.000 1.141 92 T CB -1.438 67.578 68.868 0.246 0.000 0.868 92 T HN -0.013 nan 8.240 nan 0.000 0.444 93 V N 0.972 120.975 119.914 0.149 0.000 2.250 93 V HA -0.204 3.917 4.120 0.001 0.000 0.250 93 V C 2.277 178.454 176.094 0.138 0.000 1.060 93 V CA 2.714 65.078 62.300 0.108 0.000 1.030 93 V CB -1.216 nan 31.823 nan 0.000 0.643 93 V HN 0.676 nan 8.190 nan 0.000 0.445 94 W N -0.001 121.290 121.300 -0.016 0.000 2.342 94 W HA -0.161 4.499 4.660 -0.000 0.000 0.297 94 W C 2.105 178.588 176.519 -0.060 0.000 1.213 94 W CA 2.294 59.617 57.345 -0.036 0.000 1.251 94 W CB -0.044 29.399 29.460 -0.028 0.000 1.136 94 W HN 0.317 nan 8.180 nan 0.000 0.526 95 L N 0.147 121.395 121.223 0.041 0.000 2.072 95 L HA -0.163 4.178 4.340 0.001 0.000 0.205 95 L C 2.446 179.224 176.870 -0.153 0.000 1.079 95 L CA 1.661 56.391 54.840 -0.184 0.000 0.752 95 L CB -0.896 41.145 42.059 -0.029 0.000 0.906 95 L HN 0.025 nan 8.230 nan 0.000 0.436 96 E N 0.198 120.361 120.200 -0.061 0.000 2.110 96 E HA -0.238 4.113 4.350 0.001 0.000 0.193 96 E C 1.999 178.523 176.600 -0.126 0.000 0.988 96 E CA 1.177 57.537 56.400 -0.066 0.000 0.804 96 E CB -0.051 29.639 29.700 -0.017 0.000 0.745 96 E HN 0.536 nan 8.360 nan 0.000 0.458 97 E N 0.960 121.068 120.200 -0.154 0.000 2.110 97 E HA -0.176 4.174 4.350 0.001 0.000 0.193 97 E C 1.937 178.344 176.600 -0.323 0.000 0.988 97 E CA 1.033 57.318 56.400 -0.193 0.000 0.804 97 E CB 0.039 29.638 29.700 -0.169 0.000 0.745 97 E HN 0.128 nan 8.360 nan 0.000 0.458 98 K N 0.346 120.463 120.400 -0.472 0.000 2.103 98 K HA -0.027 4.294 4.320 0.001 0.000 0.204 98 K C 2.100 178.255 176.600 -0.741 0.000 1.052 98 K CA 0.675 56.489 56.287 -0.789 0.000 0.945 98 K CB 0.008 31.981 32.500 -0.878 0.000 0.722 98 K HN 0.083 nan 8.250 nan 0.000 0.443 99 I N 1.652 122.009 120.570 -0.354 0.000 2.208 99 I HA -0.324 3.846 4.170 0.001 0.000 0.245 99 I C 1.633 177.661 176.117 -0.148 0.000 1.097 99 I CA 1.269 62.464 61.300 -0.176 0.000 1.363 99 I CB -0.245 37.711 38.000 -0.073 0.000 1.051 99 I HN 0.180 nan 8.210 nan 0.000 0.413 100 D N 0.763 121.063 120.400 -0.167 0.000 2.077 100 D HA -0.146 4.495 4.640 0.001 0.000 0.196 100 D C 1.905 178.128 176.300 -0.129 0.000 0.986 100 D CA 1.213 55.142 54.000 -0.119 0.000 0.829 100 D CB -0.624 40.114 40.800 -0.104 0.000 0.983 100 D HN 0.270 nan 8.370 nan 0.000 0.453 101 N N 0.400 118.980 118.700 -0.199 0.000 2.069 101 N HA -0.179 4.561 4.740 0.001 0.000 0.191 101 N C 1.932 177.380 175.510 -0.103 0.000 1.031 101 N CA 0.880 53.828 53.050 -0.170 0.000 0.852 101 N CB -0.713 37.640 38.487 -0.223 0.000 1.018 101 N HN 0.292 nan 8.380 nan 0.000 0.423 102 Y N 1.677 121.784 120.300 -0.322 0.000 2.165 102 Y HA -0.086 4.464 4.550 0.000 0.000 0.286 102 Y C 2.661 178.435 175.900 -0.210 0.000 1.155 102 Y CA 0.794 58.664 58.100 -0.383 0.000 1.164 102 Y CB -1.405 36.835 38.460 -0.368 0.000 0.978 102 Y HN 0.091 nan 8.280 nan 0.000 0.513 103 T N -0.272 114.297 114.554 0.025 0.000 2.821 103 T HA -0.203 4.148 4.350 0.001 0.000 0.267 103 T C 2.046 176.736 174.700 -0.016 0.000 1.046 103 T CA 1.781 63.894 62.100 0.022 0.000 1.139 103 T CB -0.464 68.420 68.868 0.028 0.000 0.871 103 T HN 0.520 nan 8.240 nan 0.000 0.454 104 Q N 0.589 120.365 119.800 -0.040 0.000 2.245 104 Q HA 0.101 4.441 4.340 0.001 0.000 0.201 104 Q C 2.377 178.331 176.000 -0.078 0.000 0.955 104 Q CA 0.800 56.575 55.803 -0.045 0.000 0.870 104 Q CB -1.342 27.373 28.738 -0.038 0.000 0.945 104 Q HN 0.577 nan 8.270 nan 0.000 0.461 105 V N 1.643 121.478 119.914 -0.132 0.000 2.719 105 V HA 0.039 4.160 4.120 0.001 0.000 0.252 105 V C 1.710 177.537 176.094 -0.445 0.000 1.065 105 V CA 0.935 63.089 62.300 -0.242 0.000 1.086 105 V CB -0.344 31.328 31.823 -0.252 0.000 0.700 105 V HN 0.658 nan 8.190 nan 0.000 0.467 106 V N -1.865 117.854 119.914 -0.324 0.000 3.036 106 V HA 0.528 4.648 4.120 0.001 0.000 0.308 106 V C -2.406 173.646 176.094 -0.070 0.000 1.070 106 V CA -2.387 59.762 62.300 -0.252 0.000 1.056 106 V CB 0.349 32.106 31.823 -0.110 0.000 1.084 106 V HN 0.169 nan 8.190 nan 0.000 0.471 107 P HA 0.364 nan 4.420 nan 0.000 0.271 107 P C -0.289 177.033 177.300 0.037 0.000 1.216 107 P CA 0.147 63.270 63.100 0.038 0.000 0.771 107 P CB 0.402 32.141 31.700 0.065 0.000 0.864 108 A N 3.031 125.871 122.820 0.034 0.000 2.488 108 A HA 0.441 4.762 4.320 0.001 0.000 0.249 108 A C 0.278 177.891 177.584 0.047 0.000 1.083 108 A CA -0.094 51.967 52.037 0.040 0.000 0.768 108 A CB -0.346 nan 19.000 nan 0.000 1.017 108 A HN 0.485 nan 8.150 nan 0.000 0.496 109 V N -0.925 119.024 119.914 0.058 0.000 2.769 109 V HA 1.016 5.137 4.120 0.001 0.000 0.312 109 V C 0.215 176.344 176.094 0.058 0.000 1.061 109 V CA 0.535 62.871 62.300 0.061 0.000 0.931 109 V CB 0.238 32.107 31.823 0.076 0.000 1.010 109 V HN 2.470 nan 8.190 nan 0.000 0.433 110 K N 1.165 121.596 120.400 0.051 0.000 8.058 110 K HA 0.241 4.562 4.320 0.001 0.000 0.189 110 K C 0.610 177.247 176.600 0.061 0.000 1.600 110 K CA 1.575 57.892 56.287 0.051 0.000 0.927 110 K CB -2.189 30.341 32.500 0.050 0.000 0.363 110 K HN 2.354 nan 8.250 nan 0.000 0.418 111 K N -0.133 120.312 120.400 0.076 0.000 2.393 111 K HA 0.821 5.141 4.320 0.001 0.000 0.241 111 K C 0.417 177.085 176.600 0.114 0.000 1.055 111 K CA 0.123 56.471 56.287 0.100 0.000 0.951 111 K CB 0.481 33.053 32.500 0.119 0.000 1.285 111 K HN 1.444 nan 8.250 nan 0.000 0.500 112 F N 0.768 120.796 119.950 0.131 0.000 2.538 112 F HA 0.322 4.850 4.527 0.001 0.000 0.371 112 F C 0.913 176.799 175.800 0.144 0.000 1.087 112 F CA -0.984 57.080 58.000 0.106 0.000 1.250 112 F CB -0.098 38.907 39.000 0.008 0.000 1.110 112 F HN 0.394 nan 8.300 nan 0.000 0.570 113 I N 4.154 124.820 120.570 0.159 0.000 2.395 113 I HA 0.265 4.436 4.170 0.001 0.000 0.289 113 I C 0.109 176.275 176.117 0.082 0.000 1.023 113 I CA -0.009 61.372 61.300 0.136 0.000 1.350 113 I CB 0.751 38.852 38.000 0.168 0.000 1.409 113 I HN 0.398 nan 8.210 nan 0.000 0.507 114 L N 7.864 129.097 121.223 0.016 0.000 2.379 114 L HA 0.464 4.805 4.340 0.001 0.000 0.269 114 L C -2.173 174.542 176.870 -0.258 0.000 1.084 114 L CA -1.874 52.931 54.840 -0.059 0.000 0.802 114 L CB 0.945 43.005 42.059 0.001 0.000 1.175 114 L HN 0.336 nan 8.230 nan 0.000 0.448 115 P HA 0.397 nan 4.420 nan 0.000 0.281 115 P C -0.267 176.840 177.300 -0.321 0.000 1.252 115 P CA 0.038 62.691 63.100 -0.744 0.000 0.778 115 P CB 1.300 32.735 31.700 -0.442 0.000 0.895 116 G N 0.546 109.222 108.800 -0.206 0.000 2.368 116 G HA2 0.504 4.464 3.960 0.001 0.000 0.302 116 G HA3 0.504 4.464 3.960 0.001 0.000 0.302 116 G C -0.558 174.351 174.900 0.015 0.000 1.329 116 G CA 0.525 45.607 45.100 -0.029 0.000 0.935 116 G HN 0.862 nan 8.290 nan 0.000 0.590 117 G N -1.643 107.164 108.800 0.012 0.000 2.204 117 G HA2 0.560 4.520 3.960 0.001 0.000 0.153 117 G HA3 0.560 4.520 3.960 0.001 0.000 0.153 117 G C 0.642 175.540 174.900 -0.003 0.000 1.295 117 G CA 0.859 45.961 45.100 0.004 0.000 1.257 117 G HN 2.595 nan 8.290 nan 0.000 0.495 118 T N -0.738 113.806 114.554 -0.017 0.000 2.802 118 T HA 0.359 4.709 4.350 0.001 0.000 0.305 118 T C 1.391 176.088 174.700 -0.004 0.000 1.053 118 T CA 1.163 63.243 62.100 -0.032 0.000 1.058 118 T CB 1.405 70.233 68.868 -0.067 0.000 0.988 118 T HN 0.792 nan 8.240 nan 0.000 0.539 119 Q N -0.456 119.338 119.800 -0.010 0.000 2.152 119 Q HA -0.145 4.195 4.340 0.001 0.000 0.206 119 Q C 1.950 177.960 176.000 0.016 0.000 0.985 119 Q CA 1.503 57.314 55.803 0.012 0.000 0.863 119 Q CB -0.240 28.496 28.738 -0.004 0.000 0.904 119 Q HN 0.737 nan 8.270 nan 0.000 0.422 120 L N -0.040 121.172 121.223 -0.018 0.000 2.109 120 L HA -0.007 4.334 4.340 0.001 0.000 0.207 120 L C 2.143 179.019 176.870 0.010 0.000 1.086 120 L CA 1.750 56.577 54.840 -0.021 0.000 0.760 120 L CB -0.576 41.453 42.059 -0.049 0.000 0.910 120 L HN 0.191 nan 8.230 nan 0.000 0.437 121 A N -1.266 121.557 122.820 0.006 0.000 1.883 121 A HA -0.209 4.111 4.320 0.001 0.000 0.217 121 A C 2.374 180.035 177.584 0.129 0.000 1.186 121 A CA 2.069 54.120 52.037 0.024 0.000 0.624 121 A CB -0.982 18.034 19.000 0.025 0.000 0.822 121 A HN 0.507 nan 8.150 nan 0.000 0.444 122 S N 0.093 115.879 115.700 0.144 0.000 2.359 122 S HA -0.134 4.337 4.470 0.001 0.000 0.224 122 S C 2.301 177.044 174.600 0.238 0.000 1.035 122 S CA 1.422 59.733 58.200 0.186 0.000 1.018 122 S CB -0.590 62.689 63.200 0.132 0.000 0.876 122 S HN 0.843 nan 8.310 nan 0.000 0.448 123 A N 1.111 124.081 122.820 0.249 0.000 1.972 123 A HA 0.013 4.334 4.320 0.001 0.000 0.219 123 A C 2.111 179.923 177.584 0.380 0.000 1.169 123 A CA 1.133 53.428 52.037 0.430 0.000 0.635 123 A CB -0.656 18.471 19.000 0.212 0.000 0.810 123 A HN 0.455 nan 8.150 nan 0.000 0.446 124 L N -1.586 119.728 121.223 0.151 0.000 2.156 124 L HA -0.121 4.219 4.340 0.001 0.000 0.208 124 L C 2.529 179.376 176.870 -0.038 0.000 1.095 124 L CA 0.940 55.803 54.840 0.038 0.000 0.770 124 L CB -0.600 41.480 42.059 0.036 0.000 0.914 124 L HN 0.426 nan 8.230 nan 0.000 0.439 125 H N -0.829 118.274 119.070 0.055 0.000 2.389 125 H HA -0.074 4.483 4.556 0.001 0.000 0.299 125 H C 2.390 177.710 175.328 -0.014 0.000 1.081 125 H CA 1.468 57.535 56.048 0.032 0.000 1.345 125 H CB 0.153 29.924 29.762 0.014 0.000 1.393 125 H HN 0.138 nan 8.280 nan 0.000 0.520 126 V N 1.023 120.988 119.914 0.086 0.000 2.358 126 V HA -0.221 3.899 4.120 0.001 0.000 0.246 126 V C 2.811 178.731 176.094 -0.291 0.000 1.047 126 V CA 1.363 63.565 62.300 -0.162 0.000 1.035 126 V CB -0.946 30.656 31.823 -0.369 0.000 0.658 126 V HN 0.443 nan 8.190 nan 0.000 0.452 127 A N 0.168 122.883 122.820 -0.174 0.000 1.892 127 A HA -0.333 3.988 4.320 0.001 0.000 0.218 127 A C 2.389 179.703 177.584 -0.450 0.000 1.188 127 A CA 2.445 54.221 52.037 -0.435 0.000 0.631 127 A CB -0.695 17.661 19.000 -1.073 0.000 0.822 127 A HN 0.501 nan 8.150 nan 0.000 0.447 128 R N -0.557 119.819 120.500 -0.208 0.000 2.113 128 R HA -0.197 4.144 4.340 0.001 0.000 0.244 128 R C 2.345 178.691 176.300 0.078 0.000 1.142 128 R CA 2.611 58.792 56.100 0.135 0.000 0.953 128 R CB -0.620 29.814 30.300 0.223 0.000 0.860 128 R HN 0.714 nan 8.270 nan 0.000 0.438 129 T N -1.466 113.087 114.554 -0.003 0.000 2.896 129 T HA 0.016 4.366 4.350 0.001 0.000 0.263 129 T C 2.061 176.724 174.700 -0.061 0.000 1.050 129 T CA 1.024 63.111 62.100 -0.022 0.000 1.140 129 T CB -0.297 68.542 68.868 -0.048 0.000 0.877 129 T HN 0.231 nan 8.240 nan 0.000 0.457 130 I N 1.861 122.352 120.570 -0.131 0.000 2.361 130 I HA -0.143 4.028 4.170 0.001 0.000 0.251 130 I C 2.733 178.835 176.117 -0.024 0.000 1.133 130 I CA 1.189 62.420 61.300 -0.115 0.000 1.413 130 I CB -0.870 37.016 38.000 -0.191 0.000 1.073 130 I HN 0.287 nan 8.210 nan 0.000 0.424 131 T N 0.688 115.256 114.554 0.024 0.000 2.746 131 T HA -0.189 4.161 4.350 0.001 0.000 0.267 131 T C 1.923 176.660 174.700 0.062 0.000 1.039 131 T CA 1.381 63.541 62.100 0.100 0.000 1.142 131 T CB -0.134 68.875 68.868 0.235 0.000 0.866 131 T HN 0.333 nan 8.240 nan 0.000 0.444 132 K N 0.415 120.844 120.400 0.047 0.000 2.155 132 K HA 0.050 4.371 4.320 0.001 0.000 0.203 132 K C 2.508 179.115 176.600 0.012 0.000 1.052 132 K CA 0.638 56.944 56.287 0.032 0.000 0.948 132 K CB -0.042 32.477 32.500 0.032 0.000 0.728 132 K HN 0.175 nan 8.250 nan 0.000 0.448 133 R N 1.018 121.517 120.500 -0.002 0.000 2.075 133 R HA -0.075 4.266 4.340 0.001 0.000 0.232 133 R C 2.104 178.402 176.300 -0.002 0.000 1.126 133 R CA 1.423 57.516 56.100 -0.011 0.000 0.963 133 R CB -0.226 30.055 30.300 -0.032 0.000 0.858 133 R HN 0.134 nan 8.270 nan 0.000 0.435 134 A N 0.790 123.613 122.820 0.004 0.000 1.972 134 A HA -0.193 4.127 4.320 0.001 0.000 0.219 134 A C 2.063 179.657 177.584 0.018 0.000 1.169 134 A CA 1.592 53.636 52.037 0.012 0.000 0.635 134 A CB -0.568 18.444 19.000 0.021 0.000 0.810 134 A HN 0.611 nan 8.150 nan 0.000 0.446 135 E N -0.238 119.975 120.200 0.021 0.000 2.072 135 E HA -0.193 4.157 4.350 0.001 0.000 0.191 135 E C 2.276 178.885 176.600 0.016 0.000 0.985 135 E CA 0.838 57.251 56.400 0.021 0.000 0.801 135 E CB -0.121 29.593 29.700 0.023 0.000 0.750 135 E HN 0.567 nan 8.360 nan 0.000 0.452 136 R N 0.118 120.625 120.500 0.012 0.000 2.103 136 R HA -0.208 4.133 4.340 0.001 0.000 0.242 136 R C 2.452 178.759 176.300 0.011 0.000 1.142 136 R CA 1.758 57.864 56.100 0.009 0.000 0.960 136 R CB -0.280 30.022 30.300 0.003 0.000 0.858 136 R HN 0.140 nan 8.270 nan 0.000 0.439 137 Q N 0.881 120.689 119.800 0.013 0.000 2.187 137 Q HA 0.005 4.346 4.340 0.001 0.000 0.199 137 Q C 1.840 177.854 176.000 0.024 0.000 0.957 137 Q CA 1.124 56.937 55.803 0.017 0.000 0.857 137 Q CB -0.015 28.733 28.738 0.017 0.000 0.929 137 Q HN 0.336 nan 8.270 nan 0.000 0.453 138 I N -0.710 119.874 120.570 0.023 0.000 2.208 138 I HA -0.268 3.903 4.170 0.001 0.000 0.245 138 I C 1.946 178.077 176.117 0.023 0.000 1.097 138 I CA 0.906 62.221 61.300 0.025 0.000 1.363 138 I CB -0.334 37.680 38.000 0.022 0.000 1.051 138 I HN 0.034 nan 8.210 nan 0.000 0.413 139 V N 0.162 120.088 119.914 0.020 0.000 2.343 139 V HA -0.278 3.843 4.120 0.001 0.000 0.247 139 V C 2.525 178.630 176.094 0.019 0.000 1.051 139 V CA 1.652 63.962 62.300 0.018 0.000 1.036 139 V CB -0.713 31.118 31.823 0.015 0.000 0.654 139 V HN 0.463 nan 8.190 nan 0.000 0.451 140 Q N -0.439 119.372 119.800 0.018 0.000 2.135 140 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 140 Q C 2.212 178.226 176.000 0.023 0.000 0.981 140 Q CA 1.893 57.707 55.803 0.018 0.000 0.856 140 Q CB -0.428 28.320 28.738 0.017 0.000 0.902 140 Q HN 0.586 nan 8.270 nan 0.000 0.425 141 L N 0.046 121.286 121.223 0.028 0.000 2.044 141 L HA -0.088 4.253 4.340 0.001 0.000 0.205 141 L C 2.412 179.303 176.870 0.034 0.000 1.075 141 L CA 1.666 56.527 54.840 0.034 0.000 0.747 141 L CB -0.653 41.431 42.059 0.041 0.000 0.903 141 L HN 0.230 nan 8.230 nan 0.000 0.435 142 M N -0.699 118.919 119.600 0.030 0.000 2.108 142 M HA -0.297 4.184 4.480 0.001 0.000 0.257 142 M C 2.082 178.399 176.300 0.028 0.000 1.071 142 M CA 1.848 57.165 55.300 0.029 0.000 1.093 142 M CB -0.172 32.442 32.600 0.023 0.000 1.345 142 M HN 0.248 nan 8.290 nan 0.000 0.403 143 R N -0.465 120.049 120.500 0.024 0.000 2.323 143 R HA -0.044 4.297 4.340 0.001 0.000 0.198 143 R C 1.068 177.381 176.300 0.021 0.000 0.988 143 R CA 0.739 56.851 56.100 0.020 0.000 1.041 143 R CB 0.054 30.364 30.300 0.016 0.000 0.926 143 R HN 0.586 nan 8.270 nan 0.000 0.476 144 E N -0.647 119.569 120.200 0.025 0.000 2.441 144 E HA 0.070 4.421 4.350 0.001 0.000 0.212 144 E C 0.217 176.836 176.600 0.031 0.000 0.840 144 E CA 0.360 56.775 56.400 0.026 0.000 1.143 144 E CB 1.034 30.749 29.700 0.025 0.000 1.153 144 E HN 0.258 nan 8.360 nan 0.000 0.539 145 E N 1.342 121.565 120.200 0.039 0.000 2.429 145 E HA 0.322 4.672 4.350 0.001 0.000 0.276 145 E C -1.355 175.281 176.600 0.061 0.000 0.953 145 E CA -0.952 55.477 56.400 0.049 0.000 0.787 145 E CB 0.869 30.601 29.700 0.053 0.000 1.307 145 E HN 0.154 nan 8.360 nan 0.000 0.458 146 Q N 0.876 120.723 119.800 0.079 0.000 2.294 146 Q HA 0.617 4.957 4.340 0.001 0.000 0.257 146 Q C 0.521 176.619 176.000 0.163 0.000 0.955 146 Q CA -0.428 55.438 55.803 0.104 0.000 0.936 146 Q CB 0.502 29.306 28.738 0.109 0.000 1.188 146 Q HN 0.776 nan 8.270 nan 0.000 0.420 147 I N -0.871 119.764 120.570 0.107 0.000 3.204 147 I HA 0.464 4.635 4.170 0.001 0.000 0.313 147 I C -0.243 175.770 176.117 -0.174 0.000 1.082 147 I CA -1.302 60.028 61.300 0.051 0.000 1.033 147 I CB 1.363 39.362 38.000 -0.002 0.000 1.304 147 I HN 0.471 nan 8.210 nan 0.000 0.536 148 N N 2.534 120.844 118.700 -0.649 0.000 2.421 148 N HA 0.045 4.786 4.740 0.001 0.000 0.260 148 N C 0.619 175.950 175.510 -0.298 0.000 1.173 148 N CA 0.104 52.606 53.050 -0.912 0.000 0.960 148 N CB 0.490 38.190 38.487 -1.313 0.000 1.273 148 N HN 0.560 nan 8.380 nan 0.000 0.497 149 Q N 1.494 121.203 119.800 -0.153 0.000 2.368 149 Q HA -0.147 4.193 4.340 0.001 0.000 0.210 149 Q C 0.221 176.231 176.000 0.016 0.000 0.982 149 Q CA 1.099 56.880 55.803 -0.037 0.000 0.884 149 Q CB 0.149 28.884 28.738 -0.006 0.000 0.933 149 Q HN 0.646 nan 8.270 nan 0.000 0.460 150 D N -0.264 120.150 120.400 0.024 0.000 2.144 150 D HA -0.102 4.539 4.640 0.001 0.000 0.199 150 D C 1.983 178.468 176.300 0.309 0.000 0.984 150 D CA 0.586 54.666 54.000 0.133 0.000 0.834 150 D CB -0.013 40.837 40.800 0.084 0.000 0.955 150 D HN 0.033 nan 8.370 nan 0.000 0.465 151 V N 0.877 120.924 119.914 0.222 0.000 2.295 151 V HA -0.221 3.900 4.120 0.001 0.000 0.246 151 V C 2.427 178.605 176.094 0.140 0.000 1.049 151 V CA 1.184 63.556 62.300 0.120 0.000 1.024 151 V CB -0.502 31.287 31.823 -0.057 0.000 0.648 151 V HN 0.182 nan 8.190 nan 0.000 0.447 152 L N -0.235 121.040 121.223 0.087 0.000 2.083 152 L HA -0.129 4.211 4.340 0.001 0.000 0.209 152 L C 2.103 179.032 176.870 0.097 0.000 1.083 152 L CA 1.803 56.686 54.840 0.071 0.000 0.752 152 L CB -0.460 41.623 42.059 0.041 0.000 0.899 152 L HN 0.220 nan 8.230 nan 0.000 0.433 153 I N -1.569 119.084 120.570 0.138 0.000 2.202 153 I HA -0.282 3.888 4.170 0.001 0.000 0.242 153 I C 2.265 178.501 176.117 0.198 0.000 1.091 153 I CA 1.440 62.826 61.300 0.143 0.000 1.368 153 I CB -0.385 37.699 38.000 0.140 0.000 1.058 153 I HN 0.304 nan 8.210 nan 0.000 0.410 154 F N 1.413 121.449 119.950 0.144 0.000 2.102 154 F HA -0.228 4.299 4.527 0.001 0.000 0.298 154 F C 2.286 178.146 175.800 0.100 0.000 1.105 154 F CA 1.602 59.703 58.000 0.169 0.000 1.239 154 F CB -0.161 39.038 39.000 0.332 0.000 0.991 154 F HN -0.089 nan 8.300 nan 0.000 0.474 155 I N 0.679 121.250 120.570 0.001 0.000 2.493 155 I HA -0.245 3.925 4.170 0.001 0.000 0.254 155 I C 2.046 178.127 176.117 -0.061 0.000 1.160 155 I CA 1.297 62.542 61.300 -0.091 0.000 1.445 155 I CB -1.698 36.313 38.000 0.018 0.000 1.086 155 I HN 0.300 nan 8.210 nan 0.000 0.433 156 N N 1.447 120.139 118.700 -0.013 0.000 2.135 156 N HA -0.210 4.531 4.740 0.001 0.000 0.186 156 N C 1.982 177.477 175.510 -0.024 0.000 1.027 156 N CA 1.302 54.350 53.050 -0.003 0.000 0.849 156 N CB -0.115 38.383 38.487 0.019 0.000 1.002 156 N HN -0.011 nan 8.380 nan 0.000 0.425 157 R N -0.249 120.228 120.500 -0.039 0.000 2.152 157 R HA 0.021 4.362 4.340 0.001 0.000 0.232 157 R C 1.921 178.153 176.300 -0.114 0.000 1.117 157 R CA 0.575 56.644 56.100 -0.052 0.000 0.981 157 R CB -0.723 29.572 30.300 -0.009 0.000 0.870 157 R HN 0.314 nan 8.270 nan 0.000 0.451 158 L N 0.202 121.275 121.223 -0.250 0.000 2.042 158 L HA -0.173 4.168 4.340 0.001 0.000 0.210 158 L C 2.014 178.878 176.870 -0.010 0.000 1.076 158 L CA 2.303 56.977 54.840 -0.276 0.000 0.749 158 L CB -0.673 41.140 42.059 -0.410 0.000 0.893 158 L HN 0.354 nan 8.230 nan 0.000 0.432 159 S N -1.982 113.779 115.700 0.102 0.000 2.423 159 S HA -0.132 4.338 4.470 0.001 0.000 0.231 159 S C 1.624 176.343 174.600 0.198 0.000 1.014 159 S CA 0.934 59.279 58.200 0.241 0.000 0.965 159 S CB -0.613 62.691 63.200 0.174 0.000 0.785 159 S HN 0.464 nan 8.310 nan 0.000 0.495 160 D N 0.861 121.317 120.400 0.094 0.000 2.117 160 D HA -0.058 4.583 4.640 0.001 0.000 0.198 160 D C 1.570 177.927 176.300 0.095 0.000 0.982 160 D CA 1.199 55.246 54.000 0.078 0.000 0.828 160 D CB -0.682 40.125 40.800 0.011 0.000 0.967 160 D HN 0.568 nan 8.370 nan 0.000 0.464 161 Y N 0.750 120.997 120.300 -0.088 0.000 2.114 161 Y HA -0.299 4.252 4.550 0.000 0.000 0.282 161 Y C 1.882 177.734 175.900 -0.080 0.000 1.165 161 Y CA 1.551 59.541 58.100 -0.182 0.000 1.148 161 Y CB -0.571 37.642 38.460 -0.411 0.000 0.972 161 Y HN -0.138 nan 8.280 nan 0.000 0.504 162 F N -0.995 118.883 119.950 -0.120 0.000 2.206 162 F HA -0.099 4.428 4.527 0.001 0.000 0.298 162 F C 2.255 177.935 175.800 -0.200 0.000 1.090 162 F CA 1.259 59.145 58.000 -0.189 0.000 1.323 162 F CB -1.327 37.698 39.000 0.041 0.000 1.028 162 F HN 0.194 nan 8.300 nan 0.000 0.492 163 F N 0.822 120.762 119.950 -0.017 0.000 2.051 163 F HA -0.170 4.358 4.527 0.001 0.000 0.296 163 F C 2.419 178.154 175.800 -0.109 0.000 1.122 163 F CA 1.703 59.658 58.000 -0.075 0.000 1.201 163 F CB -0.716 38.302 39.000 0.030 0.000 0.978 163 F HN -0.088 nan 8.300 nan 0.000 0.472 164 A N 0.544 123.484 122.820 0.201 0.000 1.892 164 A HA -0.181 4.140 4.320 0.001 0.000 0.218 164 A C 2.353 179.915 177.584 -0.036 0.000 1.188 164 A CA 2.250 54.354 52.037 0.111 0.000 0.631 164 A CB -1.694 17.380 19.000 0.123 0.000 0.822 164 A HN 0.585 nan 8.150 nan 0.000 0.447 165 A N -0.523 122.190 122.820 -0.178 0.000 1.968 165 A HA 0.258 4.579 4.320 0.001 0.000 0.217 165 A C 2.474 179.953 177.584 -0.175 0.000 1.169 165 A CA 1.797 53.711 52.037 -0.205 0.000 0.638 165 A CB -0.950 17.759 19.000 -0.484 0.000 0.812 165 A HN 1.076 nan 8.150 nan 0.000 0.446 166 A N 0.478 123.147 122.820 -0.252 0.000 1.873 166 A HA -0.237 4.083 4.320 0.001 0.000 0.218 166 A C 2.246 179.693 177.584 -0.227 0.000 1.193 166 A CA 1.731 53.572 52.037 -0.328 0.000 0.629 166 A CB -0.552 17.945 19.000 -0.838 0.000 0.826 166 A HN 0.567 nan 8.150 nan 0.000 0.447 167 R N -2.423 117.922 120.500 -0.260 0.000 2.096 167 R HA -0.142 4.198 4.340 0.001 0.000 0.235 167 R C 2.144 178.435 176.300 -0.014 0.000 1.127 167 R CA 1.537 57.556 56.100 -0.135 0.000 0.968 167 R CB -0.517 29.680 30.300 -0.172 0.000 0.861 167 R HN 0.676 nan 8.270 nan 0.000 0.440 168 Y N 1.523 121.692 120.300 -0.219 0.000 2.242 168 Y HA -0.130 4.420 4.550 0.000 0.000 0.291 168 Y C 2.290 178.118 175.900 -0.120 0.000 1.137 168 Y CA 0.852 58.802 58.100 -0.250 0.000 1.181 168 Y CB -0.421 37.616 38.460 -0.704 0.000 0.989 168 Y HN 0.032 nan 8.280 nan 0.000 0.527 169 A N 0.284 122.997 122.820 -0.178 0.000 1.933 169 A HA -0.197 4.123 4.320 0.001 0.000 0.218 169 A C 2.156 179.649 177.584 -0.151 0.000 1.175 169 A CA 1.746 53.663 52.037 -0.199 0.000 0.628 169 A CB -0.687 18.243 19.000 -0.117 0.000 0.814 169 A HN 0.526 nan 8.150 nan 0.000 0.444 170 N N -1.162 117.488 118.700 -0.084 0.000 2.058 170 N HA -0.188 4.553 4.740 0.001 0.000 0.191 170 N C 1.622 177.098 175.510 -0.057 0.000 1.037 170 N CA 1.768 54.783 53.050 -0.058 0.000 0.848 170 N CB -0.730 37.747 38.487 -0.015 0.000 1.021 170 N HN 0.643 nan 8.380 nan 0.000 0.422 171 Y N 1.953 122.169 120.300 -0.140 0.000 2.102 171 Y HA -0.148 4.402 4.550 0.001 0.000 0.280 171 Y C 2.135 177.925 175.900 -0.183 0.000 1.178 171 Y CA 1.472 59.495 58.100 -0.128 0.000 1.146 171 Y CB -0.535 37.882 38.460 -0.072 0.000 0.968 171 Y HN 0.028 nan 8.280 nan 0.000 0.504 172 L N 0.133 121.145 121.223 -0.351 0.000 2.450 172 L HA -0.169 4.172 4.340 0.001 0.000 0.224 172 L C 0.969 177.683 176.870 -0.260 0.000 1.149 172 L CA 1.526 56.133 54.840 -0.388 0.000 0.816 172 L CB -0.376 41.446 42.059 -0.395 0.000 0.932 172 L HN 0.408 nan 8.230 nan 0.000 0.449 173 E N -0.769 119.269 120.200 -0.270 0.000 2.812 173 E HA 0.090 4.441 4.350 0.001 0.000 0.211 173 E C -0.406 176.048 176.600 -0.242 0.000 0.986 173 E CA -0.143 56.072 56.400 -0.307 0.000 1.119 173 E CB 0.758 30.265 29.700 -0.322 0.000 1.046 173 E HN 0.123 nan 8.360 nan 0.000 0.474 174 Q N 0.225 119.890 119.800 -0.226 0.000 2.481 174 Q HA -0.239 4.102 4.340 0.001 0.000 0.272 174 Q C -0.448 175.486 176.000 -0.110 0.000 1.157 174 Q CA 0.944 56.648 55.803 -0.166 0.000 0.935 174 Q CB -1.872 26.784 28.738 -0.136 0.000 1.338 174 Q HN 0.285 nan 8.270 nan 0.000 0.494 175 Q N 0.321 120.062 119.800 -0.098 0.000 2.322 175 Q HA 0.577 4.917 4.340 0.001 0.000 0.265 175 Q C -2.569 173.417 176.000 -0.024 0.000 0.985 175 Q CA -2.319 53.447 55.803 -0.062 0.000 0.849 175 Q CB 1.507 30.203 28.738 -0.071 0.000 1.274 175 Q HN -0.060 nan 8.270 nan 0.000 0.449 176 P HA 0.136 nan 4.420 nan 0.000 0.275 176 P C -0.933 176.371 177.300 0.007 0.000 1.228 176 P CA -0.227 62.878 63.100 0.008 0.000 0.786 176 P CB 0.646 32.350 31.700 0.006 0.000 0.927 177 D N 0.836 121.247 120.400 0.017 0.000 2.382 177 D HA 0.235 4.875 4.640 0.001 0.000 0.240 177 D C 0.551 176.855 176.300 0.007 0.000 1.146 177 D CA 0.275 54.282 54.000 0.012 0.000 0.897 177 D CB 0.370 41.179 40.800 0.014 0.000 1.197 177 D HN 0.272 nan 8.370 nan 0.000 0.432 178 M N 2.648 122.243 119.600 -0.008 0.000 2.194 178 M HA 0.350 4.831 4.480 0.001 0.000 0.347 178 M C -0.234 176.074 176.300 0.014 0.000 1.439 178 M CA 0.004 55.299 55.300 -0.008 0.000 1.131 178 M CB -0.738 31.844 32.600 -0.030 0.000 1.733 178 M HN 0.324 nan 8.290 nan 0.000 0.467 179 L N 2.516 123.757 121.223 0.030 0.000 2.352 179 L HA 0.629 4.970 4.340 0.001 0.000 0.269 179 L C -0.209 176.714 176.870 0.088 0.000 1.034 179 L CA -1.105 53.775 54.840 0.067 0.000 0.806 179 L CB 1.464 43.557 42.059 0.057 0.000 1.244 179 L HN 0.805 nan 8.230 nan 0.000 0.447 180 Y N 1.603 121.907 120.300 0.007 0.000 2.365 180 Y HA 0.508 5.059 4.550 0.001 0.000 0.340 180 Y C 0.323 176.226 175.900 0.004 0.000 1.016 180 Y CA -0.296 57.806 58.100 0.003 0.000 1.196 180 Y CB 0.418 38.882 38.460 0.008 0.000 1.167 180 Y HN 0.677 nan 8.280 nan 0.000 0.509 181 R N 0.000 120.146 120.500 -0.590 0.000 2.786 181 R HA 0.000 4.341 4.340 0.001 0.000 0.208 181 R CA 0.000 55.830 56.100 -0.450 0.000 0.921 181 R CB 0.000 30.153 30.300 -0.245 0.000 0.687 181 R HN 0.000 nan 8.270 nan 0.000 0.535