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 3f2v_1_A DATA FIRST_RESID 2 DATA SEQUENCE PKTLIILAHP NISQSTVHKH WSDAVRQHTD RFTVHELYAV YPQGKIDVAA DATA SEQUENCE EQKLIETHDS LVWQFPIYWF NCPPLLKQWL DEVLTYGWAY GSKGKALKGR DATA SEQUENCE KIALAVSLGA PAADYRADGA VGCSVAEVLR PFELTAKYCN ADYRPPFTFH DATA SEQUENCE TXXXXXXXSE AARQEVERSA RDYLAWLDAL Q 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.270 177.300 -0.050 0.000 1.155 2 P CA 0.000 63.056 63.100 -0.074 0.000 0.800 2 P CB 0.000 31.647 31.700 -0.088 0.000 0.726 3 K N -0.432 119.934 120.400 -0.058 0.000 2.399 3 K HA 0.667 4.998 4.320 0.019 0.000 0.247 3 K C -0.319 176.404 176.600 0.205 0.000 1.036 3 K CA -0.552 55.754 56.287 0.031 0.000 0.977 3 K CB -0.037 32.466 32.500 0.006 0.000 1.272 3 K HN 0.302 nan 8.250 nan 0.000 0.501 4 T N 1.433 116.136 114.554 0.249 0.000 2.806 4 T HA 0.218 4.579 4.350 0.019 0.000 0.290 4 T C -0.585 174.274 174.700 0.265 0.000 0.966 4 T CA -0.630 61.625 62.100 0.259 0.000 1.060 4 T CB 0.473 69.489 68.868 0.247 0.000 0.927 4 T HN 0.362 nan 8.240 nan 0.000 0.485 5 L N 5.112 126.405 121.223 0.116 0.000 2.264 5 L HA 0.561 4.913 4.340 0.019 0.000 0.289 5 L C -1.168 175.732 176.870 0.051 0.000 1.044 5 L CA -0.443 54.335 54.840 -0.103 0.000 0.807 5 L CB 0.263 42.128 42.059 -0.323 0.000 1.192 5 L HN 0.456 nan 8.230 nan 0.000 0.425 6 I N 6.997 127.620 120.570 0.088 0.000 2.328 6 I HA 0.298 4.480 4.170 0.019 0.000 0.287 6 I C -0.329 175.892 176.117 0.172 0.000 1.012 6 I CA -0.242 61.150 61.300 0.153 0.000 1.195 6 I CB 1.084 39.182 38.000 0.163 0.000 1.350 6 I HN 0.363 nan 8.210 nan 0.000 0.464 7 I N 7.214 127.891 120.570 0.180 0.000 2.281 7 I HA 0.155 4.336 4.170 0.019 0.000 0.293 7 I C -0.279 175.897 176.117 0.099 0.000 1.085 7 I CA -0.532 60.804 61.300 0.060 0.000 1.257 7 I CB 0.548 38.430 38.000 -0.197 0.000 1.430 7 I HN 0.326 nan 8.210 nan 0.000 0.489 8 L N 7.315 128.602 121.223 0.108 0.000 2.257 8 L HA 0.645 4.996 4.340 0.019 0.000 0.290 8 L C 0.070 177.001 176.870 0.103 0.000 1.044 8 L CA -0.243 54.688 54.840 0.151 0.000 0.810 8 L CB 1.072 43.242 42.059 0.185 0.000 1.193 8 L HN 0.587 nan 8.230 nan 0.000 0.425 9 A N 5.215 128.100 122.820 0.109 0.000 2.328 9 A HA 0.561 4.893 4.320 0.019 0.000 0.318 9 A C -1.165 176.478 177.584 0.098 0.000 1.347 9 A CA -0.411 51.711 52.037 0.142 0.000 0.842 9 A CB -0.032 18.971 19.000 0.005 0.000 1.148 9 A HN 0.792 nan 8.150 nan 0.000 0.499 10 H N 5.264 124.350 119.070 0.025 0.000 3.018 10 H HA 0.315 4.882 4.556 0.018 0.000 0.334 10 H C -2.401 172.610 175.328 -0.528 0.000 0.983 10 H CA -1.557 54.346 56.048 -0.241 0.000 1.363 10 H CB 2.679 32.298 29.762 -0.238 0.000 1.668 10 H HN 0.396 nan 8.280 nan 0.000 0.513 11 P HA -0.091 nan 4.420 nan 0.000 0.221 11 P C -0.078 177.023 177.300 -0.332 0.000 1.145 11 P CA 0.936 63.381 63.100 -1.091 0.000 0.795 11 P CB 0.808 32.143 31.700 -0.608 0.000 0.775 12 N N -0.685 118.078 118.700 0.105 0.000 2.732 12 N HA 0.175 4.926 4.740 0.019 0.000 0.235 12 N C 0.519 175.969 175.510 -0.100 0.000 1.466 12 N CA -0.219 52.854 53.050 0.038 0.000 0.751 12 N CB 0.504 39.011 38.487 0.033 0.000 1.317 12 N HN -0.180 nan 8.380 nan 0.000 0.525 13 I N 1.105 121.533 120.570 -0.237 0.000 2.756 13 I HA -0.194 3.987 4.170 0.019 0.000 0.262 13 I C 2.173 178.137 176.117 -0.256 0.000 1.225 13 I CA 1.184 62.198 61.300 -0.478 0.000 1.472 13 I CB 0.157 38.004 38.000 -0.256 0.000 1.094 13 I HN 0.488 nan 8.210 nan 0.000 0.454 14 S N 0.046 115.665 115.700 -0.135 0.000 2.383 14 S HA -0.182 4.300 4.470 0.019 0.000 0.227 14 S C 1.743 176.296 174.600 -0.079 0.000 1.026 14 S CA 0.656 58.809 58.200 -0.078 0.000 0.981 14 S CB -0.264 62.911 63.200 -0.042 0.000 0.818 14 S HN 0.461 nan 8.310 nan 0.000 0.472 15 Q N 1.537 121.287 119.800 -0.083 0.000 2.403 15 Q HA 0.328 4.679 4.340 0.019 0.000 0.203 15 Q C 0.696 176.646 176.000 -0.083 0.000 0.932 15 Q CA 0.113 55.880 55.803 -0.060 0.000 0.945 15 Q CB -0.114 28.606 28.738 -0.030 0.000 1.045 15 Q HN 0.612 nan 8.270 nan 0.000 0.511 16 S N -0.452 115.147 115.700 -0.168 0.000 2.584 16 S HA 0.255 4.736 4.470 0.019 0.000 0.273 16 S C 0.893 175.392 174.600 -0.169 0.000 1.311 16 S CA 0.150 58.224 58.200 -0.210 0.000 1.034 16 S CB 1.439 64.341 63.200 -0.496 0.000 0.939 16 S HN 0.222 nan 8.310 nan 0.000 0.513 17 T N 2.676 117.109 114.554 -0.201 0.000 3.098 17 T HA 0.106 4.467 4.350 0.019 0.000 0.246 17 T C 1.558 175.951 174.700 -0.512 0.000 0.983 17 T CA 0.871 62.776 62.100 -0.324 0.000 1.094 17 T CB -0.499 68.200 68.868 -0.281 0.000 1.035 17 T HN 0.392 nan 8.240 nan 0.000 0.456 18 V N 1.269 120.908 119.914 -0.458 0.000 2.255 18 V HA -0.037 4.094 4.120 0.019 0.000 0.243 18 V C 2.367 177.889 176.094 -0.953 0.000 1.038 18 V CA 2.241 64.089 62.300 -0.752 0.000 1.008 18 V CB -0.829 30.511 31.823 -0.806 0.000 0.645 18 V HN 0.575 nan 8.190 nan 0.000 0.449 19 H N -0.165 118.527 119.070 -0.630 0.000 2.421 19 H HA -0.118 4.451 4.556 0.022 0.000 0.298 19 H C 2.258 177.513 175.328 -0.122 0.000 1.087 19 H CA 1.738 57.562 56.048 -0.374 0.000 1.330 19 H CB -0.024 29.627 29.762 -0.184 0.000 1.388 19 H HN 0.325 nan 8.280 nan 0.000 0.526 20 K N -0.041 120.325 120.400 -0.057 0.000 2.057 20 K HA -0.150 4.181 4.320 0.019 0.000 0.206 20 K C 1.596 178.299 176.600 0.171 0.000 1.050 20 K CA 1.326 57.637 56.287 0.039 0.000 0.935 20 K CB -0.021 32.488 32.500 0.013 0.000 0.715 20 K HN 0.542 nan 8.250 nan 0.000 0.439 21 H N -1.671 117.378 119.070 -0.034 0.000 2.357 21 H HA -0.141 4.425 4.556 0.017 0.000 0.301 21 H C 1.756 177.208 175.328 0.207 0.000 1.082 21 H CA 1.118 57.196 56.048 0.050 0.000 1.342 21 H CB 0.082 29.854 29.762 0.017 0.000 1.389 21 H HN 0.345 nan 8.280 nan 0.000 0.511 22 W N 0.886 122.232 121.300 0.076 0.000 2.355 22 W HA -0.163 4.508 4.660 0.018 0.000 0.309 22 W C 3.006 179.613 176.519 0.146 0.000 1.206 22 W CA 1.074 58.470 57.345 0.085 0.000 1.284 22 W CB -1.205 28.194 29.460 -0.101 0.000 1.145 22 W HN 0.064 nan 8.180 nan 0.000 0.502 23 S N 0.065 115.981 115.700 0.360 0.000 2.359 23 S HA -0.190 4.292 4.470 0.019 0.000 0.224 23 S C 1.572 176.272 174.600 0.167 0.000 1.035 23 S CA 2.029 60.375 58.200 0.244 0.000 1.018 23 S CB -0.444 62.867 63.200 0.184 0.000 0.876 23 S HN 0.082 nan 8.310 nan 0.000 0.448 24 D N 1.378 121.861 120.400 0.138 0.000 2.104 24 D HA -0.023 4.629 4.640 0.019 0.000 0.194 24 D C 2.253 178.594 176.300 0.069 0.000 0.994 24 D CA 1.394 55.440 54.000 0.076 0.000 0.830 24 D CB -0.754 40.064 40.800 0.030 0.000 0.959 24 D HN 0.489 nan 8.370 nan 0.000 0.452 25 A N 0.477 123.357 122.820 0.099 0.000 1.902 25 A HA -0.150 4.181 4.320 0.019 0.000 0.217 25 A C 2.506 180.158 177.584 0.113 0.000 1.181 25 A CA 1.402 53.491 52.037 0.087 0.000 0.623 25 A CB -0.733 18.324 19.000 0.095 0.000 0.818 25 A HN 0.165 nan 8.150 nan 0.000 0.443 26 V N -0.094 119.879 119.914 0.099 0.000 2.427 26 V HA -0.198 3.933 4.120 0.019 0.000 0.248 26 V C 2.352 178.579 176.094 0.221 0.000 1.051 26 V CA 1.913 64.284 62.300 0.118 0.000 1.048 26 V CB -0.817 30.990 31.823 -0.026 0.000 0.666 26 V HN 0.503 nan 8.190 nan 0.000 0.456 27 R N -0.078 120.501 120.500 0.133 0.000 2.357 27 R HA -0.075 4.276 4.340 0.019 0.000 0.202 27 R C 1.990 178.302 176.300 0.020 0.000 1.047 27 R CA 0.534 56.692 56.100 0.097 0.000 1.034 27 R CB -0.167 30.176 30.300 0.071 0.000 0.875 27 R HN 0.647 nan 8.270 nan 0.000 0.473 28 Q N -0.443 119.328 119.800 -0.049 0.000 2.432 28 Q HA -0.006 4.345 4.340 0.019 0.000 0.205 28 Q C -0.082 175.601 176.000 -0.528 0.000 0.945 28 Q CA 0.667 56.293 55.803 -0.295 0.000 0.924 28 Q CB 0.554 29.045 28.738 -0.411 0.000 1.016 28 Q HN 0.497 nan 8.270 nan 0.000 0.503 29 H N -0.630 118.488 119.070 0.080 0.000 2.439 29 H HA 0.105 4.672 4.556 0.018 0.000 0.228 29 H C 0.363 175.670 175.328 -0.035 0.000 1.423 29 H CA -0.153 55.894 56.048 -0.003 0.000 1.386 29 H CB 0.738 30.486 29.762 -0.022 0.000 1.641 29 H HN -0.036 nan 8.280 nan 0.000 0.508 30 T N 0.487 115.073 114.554 0.054 0.000 3.051 30 T HA -0.123 4.238 4.350 0.019 0.000 0.269 30 T C 1.478 176.175 174.700 -0.006 0.000 1.127 30 T CA 1.418 63.550 62.100 0.054 0.000 1.107 30 T CB 0.063 68.959 68.868 0.046 0.000 0.898 30 T HN 0.552 nan 8.240 nan 0.000 0.517 31 D N -0.180 120.185 120.400 -0.058 0.000 2.349 31 D HA 0.013 4.665 4.640 0.019 0.000 0.224 31 D C 1.760 177.944 176.300 -0.195 0.000 1.029 31 D CA 0.241 54.185 54.000 -0.094 0.000 0.879 31 D CB -0.115 40.639 40.800 -0.077 0.000 0.906 31 D HN 0.395 nan 8.370 nan 0.000 0.528 32 R N -1.302 118.978 120.500 -0.366 0.000 2.412 32 R HA 0.292 4.644 4.340 0.019 0.000 0.212 32 R C -0.126 175.737 176.300 -0.728 0.000 0.878 32 R CA 0.160 55.827 56.100 -0.723 0.000 1.022 32 R CB 0.718 30.246 30.300 -1.286 0.000 1.265 32 R HN 0.046 nan 8.270 nan 0.000 0.620 33 F N -0.846 119.134 119.950 0.050 0.000 2.613 33 F HA 0.481 5.019 4.527 0.017 0.000 0.314 33 F C -0.344 175.519 175.800 0.105 0.000 1.075 33 F CA -1.198 56.839 58.000 0.062 0.000 0.945 33 F CB 2.305 41.309 39.000 0.007 0.000 1.310 33 F HN -0.386 nan 8.300 nan 0.000 0.467 34 T N 1.829 116.571 114.554 0.314 0.000 2.864 34 T HA 0.401 4.763 4.350 0.019 0.000 0.299 34 T C -0.772 174.035 174.700 0.179 0.000 1.011 34 T CA -0.535 61.703 62.100 0.229 0.000 0.975 34 T CB 1.202 70.215 68.868 0.243 0.000 0.962 34 T HN 0.319 nan 8.240 nan 0.000 0.448 35 V N 4.377 124.403 119.914 0.187 0.000 2.405 35 V HA 0.196 4.328 4.120 0.019 0.000 0.264 35 V C 0.045 176.261 176.094 0.203 0.000 1.048 35 V CA -0.387 62.020 62.300 0.180 0.000 0.966 35 V CB -0.105 31.816 31.823 0.162 0.000 1.015 35 V HN 0.791 nan 8.190 nan 0.000 0.477 36 H N 3.835 122.947 119.070 0.068 0.000 2.691 36 H HA 0.360 4.927 4.556 0.018 0.000 0.281 36 H C 0.046 175.402 175.328 0.046 0.000 1.121 36 H CA -0.497 55.580 56.048 0.047 0.000 1.254 36 H CB 0.622 30.408 29.762 0.040 0.000 1.390 36 H HN 0.680 nan 8.280 nan 0.000 0.491 37 E N 5.783 125.914 120.200 -0.116 0.000 1.932 37 E HA -0.014 4.347 4.350 0.019 0.000 0.275 37 E C 0.687 177.185 176.600 -0.170 0.000 1.159 37 E CA -0.306 56.050 56.400 -0.073 0.000 0.905 37 E CB 0.824 30.526 29.700 0.002 0.000 1.059 37 E HN 0.563 nan 8.360 nan 0.000 0.400 38 L N 2.557 123.702 121.223 -0.129 0.000 2.021 38 L HA -0.263 4.088 4.340 0.019 0.000 0.215 38 L C 1.617 178.454 176.870 -0.055 0.000 1.074 38 L CA 1.914 56.698 54.840 -0.093 0.000 0.760 38 L CB -0.804 41.197 42.059 -0.096 0.000 0.889 38 L HN 0.660 nan 8.230 nan 0.000 0.433 39 Y N -1.224 119.080 120.300 0.007 0.000 2.352 39 Y HA -0.155 4.406 4.550 0.019 0.000 0.292 39 Y C 2.334 178.234 175.900 0.000 0.000 1.136 39 Y CA 1.066 59.185 58.100 0.032 0.000 1.227 39 Y CB -0.513 37.973 38.460 0.043 0.000 0.991 39 Y HN 0.190 nan 8.280 nan 0.000 0.545 40 A N -0.860 122.012 122.820 0.086 0.000 1.898 40 A HA -0.052 4.279 4.320 0.019 0.000 0.214 40 A C 2.255 179.787 177.584 -0.087 0.000 1.183 40 A CA 1.458 53.502 52.037 0.011 0.000 0.622 40 A CB -0.914 18.082 19.000 -0.006 0.000 0.824 40 A HN 0.202 nan 8.150 nan 0.000 0.444 41 V N -1.789 117.988 119.914 -0.229 0.000 2.548 41 V HA -0.118 4.013 4.120 0.019 0.000 0.249 41 V C 0.551 176.319 176.094 -0.544 0.000 1.055 41 V CA 1.080 63.102 62.300 -0.464 0.000 1.065 41 V CB -0.766 30.585 31.823 -0.785 0.000 0.681 41 V HN 0.606 nan 8.190 nan 0.000 0.462 42 Y N 0.474 120.747 120.300 -0.046 0.000 2.638 42 Y HA 0.366 4.927 4.550 0.019 0.000 0.367 42 Y C -1.514 174.363 175.900 -0.038 0.000 1.001 42 Y CA -3.018 55.058 58.100 -0.040 0.000 1.133 42 Y CB 0.200 38.624 38.460 -0.060 0.000 1.199 42 Y HN 0.180 nan 8.280 nan 0.000 0.642 43 P HA -0.149 nan 4.420 nan 0.000 0.225 43 P C 0.611 177.970 177.300 0.098 0.000 1.148 43 P CA 1.251 64.415 63.100 0.106 0.000 0.779 43 P CB 0.622 32.370 31.700 0.080 0.000 0.780 44 Q N -1.289 118.567 119.800 0.093 0.000 2.247 44 Q HA 0.352 4.703 4.340 0.019 0.000 0.211 44 Q C 1.292 177.319 176.000 0.045 0.000 0.861 44 Q CA 0.525 56.369 55.803 0.067 0.000 0.949 44 Q CB -0.362 28.412 28.738 0.060 0.000 1.115 44 Q HN 0.261 nan 8.270 nan 0.000 0.507 45 G N 0.843 109.668 108.800 0.042 0.000 2.160 45 G HA2 -0.307 3.665 3.960 0.019 0.000 0.251 45 G HA3 -0.307 3.665 3.960 0.019 0.000 0.251 45 G C 0.020 174.874 174.900 -0.077 0.000 1.008 45 G CA 0.236 45.318 45.100 -0.030 0.000 0.724 45 G HN 0.120 nan 8.290 nan 0.000 0.514 46 K N 0.821 121.199 120.400 -0.036 0.000 2.265 46 K HA 0.517 4.848 4.320 0.019 0.000 0.242 46 K C 1.033 177.463 176.600 -0.283 0.000 1.137 46 K CA -0.481 55.754 56.287 -0.086 0.000 1.082 46 K CB -0.060 32.447 32.500 0.013 0.000 1.731 46 K HN 0.481 nan 8.250 nan 0.000 0.392 47 I N 1.127 121.361 120.570 -0.560 0.000 2.683 47 I HA -0.093 4.089 4.170 0.019 0.000 0.286 47 I C 0.632 176.455 176.117 -0.489 0.000 1.175 47 I CA 0.233 60.930 61.300 -1.006 0.000 1.429 47 I CB 0.389 38.001 38.000 -0.647 0.000 1.371 47 I HN 0.373 nan 8.210 nan 0.000 0.569 48 D N 6.918 127.126 120.400 -0.321 0.000 2.479 48 D HA 0.150 4.801 4.640 0.019 0.000 0.218 48 D C 0.912 177.170 176.300 -0.069 0.000 1.131 48 D CA -0.336 53.650 54.000 -0.024 0.000 0.916 48 D CB 1.120 42.039 40.800 0.197 0.000 1.022 48 D HN 0.279 nan 8.370 nan 0.000 0.515 49 V N 4.161 123.977 119.914 -0.163 0.000 2.252 49 V HA -0.316 3.815 4.120 0.019 0.000 0.249 49 V C 2.573 178.526 176.094 -0.235 0.000 1.056 49 V CA 2.321 64.477 62.300 -0.241 0.000 1.022 49 V CB -0.956 30.718 31.823 -0.250 0.000 0.641 49 V HN 0.660 nan 8.190 nan 0.000 0.445 50 A N 0.051 122.773 122.820 -0.163 0.000 1.892 50 A HA -0.218 4.114 4.320 0.019 0.000 0.218 50 A C 2.452 179.983 177.584 -0.088 0.000 1.188 50 A CA 2.671 54.624 52.037 -0.141 0.000 0.631 50 A CB -1.014 17.942 19.000 -0.073 0.000 0.822 50 A HN 0.652 nan 8.150 nan 0.000 0.447 51 A N -0.668 122.146 122.820 -0.010 0.000 1.908 51 A HA -0.176 4.155 4.320 0.019 0.000 0.218 51 A C 1.961 179.582 177.584 0.062 0.000 1.181 51 A CA 1.841 53.912 52.037 0.057 0.000 0.627 51 A CB -0.461 18.624 19.000 0.142 0.000 0.818 51 A HN 0.490 nan 8.150 nan 0.000 0.445 52 E N 0.021 120.257 120.200 0.060 0.000 2.051 52 E HA -0.204 4.158 4.350 0.019 0.000 0.192 52 E C 2.216 178.811 176.600 -0.009 0.000 0.991 52 E CA 1.452 57.915 56.400 0.106 0.000 0.799 52 E CB -0.517 29.227 29.700 0.074 0.000 0.748 52 E HN 0.796 nan 8.360 nan 0.000 0.449 53 Q N 0.596 120.231 119.800 -0.274 0.000 2.084 53 Q HA -0.117 4.235 4.340 0.019 0.000 0.202 53 Q C 2.177 178.203 176.000 0.043 0.000 0.978 53 Q CA 1.249 56.776 55.803 -0.460 0.000 0.844 53 Q CB -0.122 27.917 28.738 -1.164 0.000 0.898 53 Q HN 0.180 nan 8.270 nan 0.000 0.426 54 K N 0.302 120.717 120.400 0.026 0.000 2.147 54 K HA -0.153 4.178 4.320 0.019 0.000 0.205 54 K C 2.019 178.720 176.600 0.170 0.000 1.049 54 K CA 0.757 57.114 56.287 0.118 0.000 0.936 54 K CB -0.122 32.419 32.500 0.069 0.000 0.722 54 K HN 0.065 nan 8.250 nan 0.000 0.446 55 L N 1.396 122.709 121.223 0.150 0.000 2.046 55 L HA -0.140 4.212 4.340 0.019 0.000 0.208 55 L C 1.924 178.979 176.870 0.309 0.000 1.077 55 L CA 1.507 56.457 54.840 0.184 0.000 0.747 55 L CB -0.161 41.906 42.059 0.015 0.000 0.896 55 L HN 0.126 nan 8.230 nan 0.000 0.432 56 I N -0.729 120.030 120.570 0.315 0.000 2.252 56 I HA -0.280 3.901 4.170 0.019 0.000 0.245 56 I C 2.283 178.620 176.117 0.366 0.000 1.102 56 I CA 1.316 62.849 61.300 0.389 0.000 1.385 56 I CB -0.341 37.993 38.000 0.556 0.000 1.064 56 I HN 0.326 nan 8.210 nan 0.000 0.414 57 E N 0.220 120.637 120.200 0.362 0.000 2.153 57 E HA -0.205 4.156 4.350 0.019 0.000 0.194 57 E C 1.958 178.667 176.600 0.182 0.000 0.988 57 E CA 1.861 58.418 56.400 0.261 0.000 0.811 57 E CB -0.241 29.619 29.700 0.267 0.000 0.746 57 E HN 0.589 nan 8.360 nan 0.000 0.466 58 T N -1.733 112.938 114.554 0.196 0.000 3.148 58 T HA -0.004 4.357 4.350 0.019 0.000 0.253 58 T C 0.423 175.091 174.700 -0.054 0.000 1.134 58 T CA 0.302 62.446 62.100 0.073 0.000 1.051 58 T CB -0.073 68.824 68.868 0.047 0.000 0.959 58 T HN 0.050 nan 8.240 nan 0.000 0.525 59 H N -0.393 118.729 119.070 0.087 0.000 2.771 59 H HA 0.651 5.218 4.556 0.018 0.000 0.344 59 H C 0.598 175.966 175.328 0.067 0.000 1.260 59 H CA -0.752 55.342 56.048 0.076 0.000 1.276 59 H CB 1.410 31.232 29.762 0.101 0.000 1.881 59 H HN 0.027 nan 8.280 nan 0.000 0.615 60 D N -0.882 119.628 120.400 0.184 0.000 2.838 60 D HA 0.148 4.800 4.640 0.019 0.000 0.245 60 D C -0.001 176.356 176.300 0.097 0.000 1.424 60 D CA 0.143 54.202 54.000 0.097 0.000 1.214 60 D CB -0.020 40.807 40.800 0.044 0.000 0.937 60 D HN 0.387 nan 8.370 nan 0.000 0.232 61 S N -0.252 115.484 115.700 0.061 0.000 2.579 61 S HA 0.339 4.821 4.470 0.019 0.000 0.275 61 S C -0.249 174.383 174.600 0.054 0.000 1.345 61 S CA -0.321 57.892 58.200 0.021 0.000 1.031 61 S CB 0.667 63.842 63.200 -0.041 0.000 0.892 61 S HN 0.330 nan 8.310 nan 0.000 0.529 62 L N 3.828 125.058 121.223 0.012 0.000 2.362 62 L HA 0.705 5.056 4.340 0.019 0.000 0.275 62 L C -1.172 175.637 176.870 -0.102 0.000 0.998 62 L CA -0.320 54.534 54.840 0.022 0.000 0.820 62 L CB 1.586 43.702 42.059 0.095 0.000 1.270 62 L HN 0.426 nan 8.230 nan 0.000 0.415 63 V N 4.013 123.918 119.914 -0.015 0.000 2.656 63 V HA 0.512 4.643 4.120 0.019 0.000 0.307 63 V C -1.256 174.946 176.094 0.181 0.000 1.051 63 V CA -0.498 61.823 62.300 0.035 0.000 0.893 63 V CB 2.108 34.050 31.823 0.198 0.000 0.999 63 V HN 0.685 nan 8.190 nan 0.000 0.426 64 W N 3.589 125.017 121.300 0.213 0.000 2.318 64 W HA 0.537 5.209 4.660 0.019 0.000 0.315 64 W C -0.007 176.676 176.519 0.272 0.000 1.033 64 W CA -0.983 56.485 57.345 0.204 0.000 1.275 64 W CB 1.110 30.716 29.460 0.243 0.000 1.250 64 W HN 0.561 nan 8.180 nan 0.000 0.421 65 Q N 4.536 124.611 119.800 0.459 0.000 2.325 65 Q HA 0.576 4.927 4.340 0.019 0.000 0.262 65 Q C -1.293 174.919 176.000 0.352 0.000 0.968 65 Q CA -0.253 55.750 55.803 0.334 0.000 0.877 65 Q CB 0.991 29.950 28.738 0.368 0.000 1.253 65 Q HN 0.348 nan 8.270 nan 0.000 0.448 66 F N 1.579 121.561 119.950 0.053 0.000 2.719 66 F HA 0.684 5.224 4.527 0.022 0.000 0.309 66 F C -3.064 172.500 175.800 -0.395 0.000 1.138 66 F CA -2.445 55.367 58.000 -0.312 0.000 0.943 66 F CB 0.796 39.617 39.000 -0.299 0.000 1.304 66 F HN 0.288 nan 8.300 nan 0.000 0.445 67 P HA 0.274 nan 4.420 nan 0.000 0.282 67 P C -0.654 176.371 177.300 -0.458 0.000 1.249 67 P CA -0.188 62.596 63.100 -0.527 0.000 0.806 67 P CB 1.623 32.843 31.700 -0.801 0.000 0.984 68 I N 3.654 124.056 120.570 -0.280 0.000 2.363 68 I HA 0.128 4.309 4.170 0.019 0.000 0.292 68 I C 0.049 176.146 176.117 -0.033 0.000 1.075 68 I CA -0.276 60.962 61.300 -0.104 0.000 1.333 68 I CB -1.062 36.876 38.000 -0.103 0.000 1.415 68 I HN 0.283 nan 8.210 nan 0.000 0.502 69 Y N 4.753 125.019 120.300 -0.057 0.000 2.328 69 Y HA 0.203 4.764 4.550 0.019 0.000 0.337 69 Y C -0.015 175.874 175.900 -0.018 0.000 0.966 69 Y CA -2.000 56.003 58.100 -0.162 0.000 1.136 69 Y CB 0.743 39.152 38.460 -0.086 0.000 1.170 69 Y HN 0.586 nan 8.280 nan 0.000 0.470 70 W N 4.793 126.068 121.300 -0.040 0.000 5.963 70 W HA -0.274 4.398 4.660 0.020 0.000 0.400 70 W C -0.103 176.483 176.519 0.112 0.000 1.530 70 W CA 0.083 57.391 57.345 -0.062 0.000 1.004 70 W CB -2.011 27.508 29.460 0.099 0.000 2.706 70 W HN 0.638 nan 8.180 nan 0.000 1.495 71 F N -1.923 118.240 119.950 0.356 0.000 3.100 71 F HA -0.384 4.154 4.527 0.018 0.000 0.283 71 F C 0.915 176.919 175.800 0.340 0.000 0.900 71 F CA 1.557 59.752 58.000 0.325 0.000 1.010 71 F CB -1.876 37.311 39.000 0.311 0.000 1.029 71 F HN 0.354 nan 8.300 nan 0.000 0.637 72 N N -1.102 117.855 118.700 0.428 0.000 3.344 72 N HA 0.611 5.362 4.740 0.019 0.000 0.296 72 N C -0.717 175.017 175.510 0.372 0.000 1.571 72 N CA 0.056 53.380 53.050 0.457 0.000 0.844 72 N CB 1.351 40.063 38.487 0.376 0.000 1.718 72 N HN 0.130 nan 8.380 nan 0.000 0.589 73 C N -0.334 119.125 119.300 0.265 0.000 2.354 73 C HA 0.796 5.267 4.460 0.019 0.000 0.381 73 C C -2.307 172.648 174.990 -0.059 0.000 1.240 73 C CA -1.591 57.322 59.018 -0.175 0.000 2.089 73 C CB 0.792 28.057 27.740 -0.793 0.000 2.234 73 C HN 0.495 nan 8.230 nan 0.000 0.544 74 P HA 0.269 nan 4.420 nan 0.000 0.274 74 P C -1.702 175.642 177.300 0.075 0.000 1.231 74 P CA -0.961 62.163 63.100 0.041 0.000 0.790 74 P CB 0.344 32.050 31.700 0.009 0.000 0.951 75 P HA -0.181 nan 4.420 nan 0.000 0.216 75 P C 1.385 178.710 177.300 0.041 0.000 1.153 75 P CA 1.176 64.338 63.100 0.104 0.000 0.858 75 P CB -0.050 31.728 31.700 0.130 0.000 0.789 76 L N -0.817 120.423 121.223 0.027 0.000 2.191 76 L HA -0.093 4.258 4.340 0.019 0.000 0.212 76 L C 2.362 179.177 176.870 -0.093 0.000 1.103 76 L CA 1.413 56.154 54.840 -0.166 0.000 0.769 76 L CB -1.685 39.957 42.059 -0.696 0.000 0.908 76 L HN -0.125 nan 8.230 nan 0.000 0.438 77 L N -0.561 120.605 121.223 -0.095 0.000 2.072 77 L HA -0.133 4.218 4.340 0.019 0.000 0.205 77 L C 2.477 179.313 176.870 -0.058 0.000 1.079 77 L CA 1.770 56.513 54.840 -0.162 0.000 0.752 77 L CB -0.807 41.019 42.059 -0.390 0.000 0.906 77 L HN 0.202 nan 8.230 nan 0.000 0.436 78 K N -0.207 120.167 120.400 -0.043 0.000 2.097 78 K HA -0.236 4.096 4.320 0.019 0.000 0.206 78 K C 2.232 178.830 176.600 -0.003 0.000 1.049 78 K CA 1.932 58.212 56.287 -0.011 0.000 0.933 78 K CB -0.418 32.082 32.500 0.000 0.000 0.717 78 K HN 0.595 nan 8.250 nan 0.000 0.442 79 Q N -1.330 118.469 119.800 -0.002 0.000 2.079 79 Q HA -0.179 4.172 4.340 0.019 0.000 0.200 79 Q C 1.906 177.904 176.000 -0.003 0.000 0.974 79 Q CA 1.708 57.499 55.803 -0.020 0.000 0.840 79 Q CB -0.388 28.325 28.738 -0.043 0.000 0.898 79 Q HN 0.518 nan 8.270 nan 0.000 0.430 80 W N 1.121 122.323 121.300 -0.163 0.000 2.335 80 W HA -0.236 4.436 4.660 0.020 0.000 0.311 80 W C 1.681 178.123 176.519 -0.130 0.000 1.213 80 W CA 1.803 59.055 57.345 -0.155 0.000 1.274 80 W CB -0.329 29.036 29.460 -0.159 0.000 1.148 80 W HN 0.155 nan 8.180 nan 0.000 0.498 81 L N 0.185 121.491 121.223 0.139 0.000 2.012 81 L HA -0.263 4.088 4.340 0.019 0.000 0.210 81 L C 2.218 179.036 176.870 -0.086 0.000 1.073 81 L CA 1.791 56.630 54.840 -0.001 0.000 0.748 81 L CB -1.021 41.033 42.059 -0.008 0.000 0.891 81 L HN -0.067 nan 8.230 nan 0.000 0.431 82 D N -0.134 120.224 120.400 -0.071 0.000 2.144 82 D HA -0.151 4.501 4.640 0.019 0.000 0.200 82 D C 2.046 178.295 176.300 -0.086 0.000 0.978 82 D CA 1.176 55.137 54.000 -0.065 0.000 0.833 82 D CB -0.003 40.763 40.800 -0.057 0.000 0.961 82 D HN 0.475 nan 8.370 nan 0.000 0.470 83 E N -0.197 119.909 120.200 -0.157 0.000 2.340 83 E HA 0.030 4.391 4.350 0.019 0.000 0.194 83 E C 1.969 178.397 176.600 -0.287 0.000 0.996 83 E CA 0.087 56.371 56.400 -0.193 0.000 0.869 83 E CB 0.727 30.305 29.700 -0.204 0.000 0.835 83 E HN 0.069 nan 8.360 nan 0.000 0.493 84 V N 1.289 120.929 119.914 -0.456 0.000 2.575 84 V HA -0.023 4.108 4.120 0.019 0.000 0.242 84 V C 1.247 177.144 176.094 -0.328 0.000 1.045 84 V CA 0.660 62.591 62.300 -0.616 0.000 1.065 84 V CB 0.004 31.066 31.823 -1.268 0.000 0.717 84 V HN 0.206 nan 8.190 nan 0.000 0.467 85 L N 3.104 124.255 121.223 -0.121 0.000 2.391 85 L HA 0.211 4.562 4.340 0.019 0.000 0.249 85 L C 0.680 177.761 176.870 0.351 0.000 1.308 85 L CA -0.128 54.858 54.840 0.243 0.000 1.209 85 L CB -0.822 41.391 42.059 0.257 0.000 1.401 85 L HN 0.377 nan 8.230 nan 0.000 0.416 86 T N -2.374 112.347 114.554 0.280 0.000 2.899 86 T HA 0.197 4.558 4.350 0.019 0.000 0.284 86 T C -0.303 174.437 174.700 0.067 0.000 1.004 86 T CA -0.570 61.661 62.100 0.218 0.000 1.043 86 T CB 1.297 70.209 68.868 0.072 0.000 1.013 86 T HN 0.245 nan 8.240 nan 0.000 0.518 87 Y N 1.144 121.272 120.300 -0.286 0.000 2.544 87 Y HA 0.387 4.948 4.550 0.019 0.000 0.330 87 Y C 1.352 177.068 175.900 -0.307 0.000 1.136 87 Y CA 1.067 58.707 58.100 -0.766 0.000 1.417 87 Y CB -0.250 37.915 38.460 -0.492 0.000 1.229 87 Y HN 1.213 nan 8.280 nan 0.000 0.532 88 G N 3.897 112.145 108.800 -0.920 0.000 2.195 88 G HA2 -0.353 3.618 3.960 0.019 0.000 0.224 88 G HA3 -0.353 3.618 3.960 0.019 0.000 0.224 88 G C 0.332 175.132 174.900 -0.167 0.000 0.990 88 G CA 0.469 45.244 45.100 -0.541 0.000 0.639 88 G HN 0.817 nan 8.290 nan 0.000 0.514 89 W N -0.150 120.991 121.300 -0.264 0.000 4.271 89 W HA 0.584 5.255 4.660 0.018 0.000 0.208 89 W C 2.203 178.693 176.519 -0.049 0.000 0.940 89 W CA 1.917 59.191 57.345 -0.119 0.000 2.040 89 W CB -0.345 29.072 29.460 -0.072 0.000 0.875 89 W HN 0.447 nan 8.180 nan 0.000 0.877 90 A N -0.451 122.465 122.820 0.159 0.000 1.997 90 A HA 0.239 4.571 4.320 0.019 0.000 0.212 90 A C -0.156 177.547 177.584 0.198 0.000 1.178 90 A CA 1.508 53.614 52.037 0.115 0.000 0.698 90 A CB -0.591 18.717 19.000 0.513 0.000 0.842 90 A HN 0.596 nan 8.150 nan 0.000 0.458 91 Y N -4.303 116.017 120.300 0.033 0.000 2.689 91 Y HA 0.606 5.167 4.550 0.019 0.000 0.333 91 Y C 0.168 176.009 175.900 -0.098 0.000 1.190 91 Y CA -1.479 56.637 58.100 0.026 0.000 1.063 91 Y CB 0.238 38.837 38.460 0.232 0.000 1.294 91 Y HN 1.166 nan 8.280 nan 0.000 0.466 92 G N 0.432 109.213 108.800 -0.032 0.000 2.712 92 G HA2 0.071 4.042 3.960 0.019 0.000 0.683 92 G HA3 0.071 4.042 3.960 0.019 0.000 0.683 92 G C 0.566 175.321 174.900 -0.242 0.000 1.320 92 G CA 0.265 45.226 45.100 -0.232 0.000 0.847 92 G HN 1.832 nan 8.290 nan 0.000 0.553 93 S N 0.057 115.647 115.700 -0.184 0.000 2.401 93 S HA -0.257 4.224 4.470 0.019 0.000 0.236 93 S C 1.873 176.382 174.600 -0.152 0.000 1.058 93 S CA 2.137 60.266 58.200 -0.118 0.000 1.151 93 S CB -0.286 62.880 63.200 -0.057 0.000 1.049 93 S HN 0.818 nan 8.310 nan 0.000 0.432 94 K N 1.791 122.061 120.400 -0.216 0.000 2.400 94 K HA 0.182 4.513 4.320 0.019 0.000 0.194 94 K C 1.106 177.585 176.600 -0.202 0.000 1.033 94 K CA 0.601 56.784 56.287 -0.172 0.000 1.021 94 K CB -0.456 31.958 32.500 -0.142 0.000 0.808 94 K HN 0.510 nan 8.250 nan 0.000 0.505 95 G N 1.967 110.604 108.800 -0.271 0.000 2.621 95 G HA2 0.110 4.082 3.960 0.019 0.000 0.306 95 G HA3 0.110 4.082 3.960 0.019 0.000 0.306 95 G C 0.167 174.934 174.900 -0.222 0.000 0.893 95 G CA -0.093 44.848 45.100 -0.265 0.000 1.486 95 G HN -0.024 nan 8.290 nan 0.000 0.477 96 K N 1.719 121.959 120.400 -0.266 0.000 2.592 96 K HA 0.351 4.683 4.320 0.019 0.000 0.203 96 K C 1.841 178.263 176.600 -0.297 0.000 1.070 96 K CA 0.154 56.311 56.287 -0.217 0.000 1.062 96 K CB 0.921 33.331 32.500 -0.149 0.000 0.814 96 K HN 0.371 nan 8.250 nan 0.000 0.502 97 A N 0.245 122.735 122.820 -0.550 0.000 2.019 97 A HA -0.058 4.273 4.320 0.019 0.000 0.219 97 A C 1.415 178.762 177.584 -0.395 0.000 1.164 97 A CA 1.278 52.892 52.037 -0.706 0.000 0.644 97 A CB -0.297 17.590 19.000 -1.855 0.000 0.805 97 A HN 0.290 nan 8.150 nan 0.000 0.449 98 L N -1.149 119.914 121.223 -0.267 0.000 2.693 98 L HA 0.133 4.484 4.340 0.019 0.000 0.235 98 L C 0.906 177.754 176.870 -0.036 0.000 1.127 98 L CA -0.265 54.533 54.840 -0.071 0.000 0.914 98 L CB -0.034 42.052 42.059 0.045 0.000 1.193 98 L HN 0.185 nan 8.230 nan 0.000 0.502 99 K N 1.945 122.302 120.400 -0.072 0.000 2.430 99 K HA 0.029 4.360 4.320 0.019 0.000 0.280 99 K C 1.040 177.622 176.600 -0.031 0.000 1.063 99 K CA 1.130 57.390 56.287 -0.045 0.000 1.071 99 K CB 0.327 32.789 32.500 -0.065 0.000 0.899 99 K HN 0.310 nan 8.250 nan 0.000 0.473 100 G N 3.714 112.507 108.800 -0.011 0.000 2.184 100 G HA2 -0.327 3.644 3.960 0.019 0.000 0.264 100 G HA3 -0.327 3.644 3.960 0.019 0.000 0.264 100 G C 0.282 175.178 174.900 -0.006 0.000 0.975 100 G CA 0.557 45.652 45.100 -0.008 0.000 0.642 100 G HN 0.697 nan 8.290 nan 0.000 0.536 101 R N 1.005 121.506 120.500 0.000 0.000 2.438 101 R HA 0.423 4.775 4.340 0.019 0.000 0.287 101 R C 0.283 176.584 176.300 0.002 0.000 1.077 101 R CA -0.417 55.687 56.100 0.006 0.000 1.034 101 R CB 0.286 30.602 30.300 0.025 0.000 0.993 101 R HN 0.222 nan 8.270 nan 0.000 0.459 102 K N 4.617 125.003 120.400 -0.023 0.000 2.379 102 K HA 0.212 4.544 4.320 0.019 0.000 0.284 102 K C -0.351 176.201 176.600 -0.079 0.000 1.044 102 K CA 0.245 56.496 56.287 -0.059 0.000 0.974 102 K CB 0.713 33.153 32.500 -0.100 0.000 0.962 102 K HN 0.477 nan 8.250 nan 0.000 0.474 103 I N 2.196 122.706 120.570 -0.099 0.000 2.533 103 I HA 0.477 4.658 4.170 0.019 0.000 0.290 103 I C -0.653 175.331 176.117 -0.222 0.000 1.056 103 I CA -0.659 60.530 61.300 -0.185 0.000 1.057 103 I CB 2.043 39.940 38.000 -0.173 0.000 1.240 103 I HN 0.673 nan 8.210 nan 0.000 0.423 104 A N 6.695 129.388 122.820 -0.213 0.000 2.594 104 A HA 0.891 5.222 4.320 0.019 0.000 0.291 104 A C -1.513 176.141 177.584 0.115 0.000 1.105 104 A CA -0.589 51.406 52.037 -0.070 0.000 0.694 104 A CB 1.782 20.844 19.000 0.103 0.000 1.291 104 A HN 0.605 nan 8.150 nan 0.000 0.410 105 L N 0.112 121.453 121.223 0.198 0.000 2.334 105 L HA 0.833 5.185 4.340 0.019 0.000 0.273 105 L C 0.156 176.998 176.870 -0.047 0.000 1.013 105 L CA -0.872 54.065 54.840 0.162 0.000 0.816 105 L CB 2.015 44.179 42.059 0.175 0.000 1.278 105 L HN 0.851 nan 8.230 nan 0.000 0.431 106 A N 2.596 125.340 122.820 -0.126 0.000 2.363 106 A HA 0.713 5.044 4.320 0.019 0.000 0.296 106 A C -0.622 176.861 177.584 -0.167 0.000 1.237 106 A CA -0.513 51.350 52.037 -0.289 0.000 0.773 106 A CB 1.134 19.917 19.000 -0.361 0.000 1.153 106 A HN 0.547 nan 8.150 nan 0.000 0.473 107 V N 0.442 120.228 119.914 -0.213 0.000 3.001 107 V HA 0.980 5.112 4.120 0.019 0.000 0.314 107 V C -0.142 175.866 176.094 -0.144 0.000 1.099 107 V CA -0.350 61.774 62.300 -0.293 0.000 0.989 107 V CB 1.739 33.184 31.823 -0.630 0.000 1.040 107 V HN 1.254 nan 8.190 nan 0.000 0.434 108 S N 2.500 118.079 115.700 -0.202 0.000 2.513 108 S HA 0.909 5.390 4.470 0.019 0.000 0.299 108 S C -1.087 173.333 174.600 -0.300 0.000 1.087 108 S CA -0.746 57.306 58.200 -0.247 0.000 1.012 108 S CB 1.459 64.473 63.200 -0.310 0.000 1.044 108 S HN 0.855 nan 8.310 nan 0.000 0.485 109 L N 1.941 122.922 121.223 -0.402 0.000 2.386 109 L HA 0.687 5.038 4.340 0.019 0.000 0.271 109 L C 0.981 177.714 176.870 -0.228 0.000 0.993 109 L CA -0.519 54.113 54.840 -0.348 0.000 0.819 109 L CB 1.944 43.675 42.059 -0.547 0.000 1.294 109 L HN 1.004 nan 8.230 nan 0.000 0.414 110 G N 1.138 109.858 108.800 -0.133 0.000 3.379 110 G HA2 0.533 4.504 3.960 0.019 0.000 0.253 110 G HA3 0.533 4.504 3.960 0.019 0.000 0.253 110 G C 0.109 174.984 174.900 -0.041 0.000 1.262 110 G CA 0.608 45.646 45.100 -0.103 0.000 0.959 110 G HN 0.678 nan 8.290 nan 0.000 0.524 111 A N 0.438 123.298 122.820 0.066 0.000 2.539 111 A HA 0.862 5.193 4.320 0.019 0.000 0.296 111 A C -2.811 174.920 177.584 0.245 0.000 1.073 111 A CA -1.511 50.614 52.037 0.146 0.000 0.700 111 A CB 2.095 21.219 19.000 0.207 0.000 1.296 111 A HN 0.036 nan 8.150 nan 0.000 0.405 112 P HA 0.170 nan 4.420 nan 0.000 0.269 112 P C 0.821 178.114 177.300 -0.012 0.000 1.209 112 P CA 0.601 63.711 63.100 0.017 0.000 0.776 112 P CB 1.051 32.734 31.700 -0.029 0.000 0.876 113 A N 3.268 125.810 122.820 -0.464 0.000 2.024 113 A HA -0.121 4.211 4.320 0.019 0.000 0.220 113 A C 2.232 179.750 177.584 -0.109 0.000 1.164 113 A CA 1.923 53.590 52.037 -0.618 0.000 0.643 113 A CB -1.463 17.052 19.000 -0.807 0.000 0.806 113 A HN 0.602 nan 8.150 nan 0.000 0.451 114 A N -0.174 122.594 122.820 -0.087 0.000 2.070 114 A HA -0.134 4.197 4.320 0.019 0.000 0.220 114 A C 1.591 179.171 177.584 -0.008 0.000 1.159 114 A CA 1.808 53.823 52.037 -0.036 0.000 0.656 114 A CB -0.447 18.527 19.000 -0.043 0.000 0.800 114 A HN 0.461 nan 8.150 nan 0.000 0.453 115 D N -1.414 118.990 120.400 0.006 0.000 2.194 115 D HA -0.028 4.623 4.640 0.019 0.000 0.204 115 D C -0.045 176.154 176.300 -0.168 0.000 0.964 115 D CA 0.898 54.841 54.000 -0.096 0.000 0.846 115 D CB -0.273 40.423 40.800 -0.174 0.000 0.962 115 D HN 0.570 nan 8.370 nan 0.000 0.490 116 Y N 1.170 121.497 120.300 0.045 0.000 2.735 116 Y HA 0.354 4.916 4.550 0.019 0.000 0.354 116 Y C 0.325 176.247 175.900 0.037 0.000 1.288 116 Y CA -0.041 58.101 58.100 0.071 0.000 1.836 116 Y CB -0.397 38.139 38.460 0.126 0.000 1.920 116 Y HN -0.332 nan 8.280 nan 0.000 0.438 117 R N -0.931 119.616 120.500 0.078 0.000 2.734 117 R HA 0.586 4.937 4.340 0.019 0.000 0.271 117 R C 0.672 176.984 176.300 0.020 0.000 1.021 117 R CA -0.451 55.682 56.100 0.054 0.000 0.893 117 R CB 1.060 31.381 30.300 0.035 0.000 1.244 117 R HN 0.269 nan 8.270 nan 0.000 0.464 118 A N 0.749 123.582 122.820 0.020 0.000 1.978 118 A HA -0.199 4.132 4.320 0.019 0.000 0.220 118 A C 0.960 178.542 177.584 -0.003 0.000 1.170 118 A CA 2.172 54.214 52.037 0.007 0.000 0.636 118 A CB -0.510 18.497 19.000 0.011 0.000 0.810 118 A HN 0.789 nan 8.150 nan 0.000 0.448 119 D N -1.264 119.135 120.400 -0.002 0.000 2.358 119 D HA 0.331 4.983 4.640 0.019 0.000 0.224 119 D C 0.672 176.963 176.300 -0.016 0.000 1.123 119 D CA 0.503 54.498 54.000 -0.008 0.000 0.833 119 D CB -0.462 40.335 40.800 -0.005 0.000 0.946 119 D HN 0.297 nan 8.370 nan 0.000 0.505 120 G N -0.869 107.917 108.800 -0.023 0.000 2.597 120 G HA2 0.500 4.472 3.960 0.019 0.000 0.317 120 G HA3 0.500 4.472 3.960 0.019 0.000 0.317 120 G C 0.896 175.760 174.900 -0.060 0.000 1.230 120 G CA -0.474 44.603 45.100 -0.040 0.000 0.996 120 G HN 0.085 nan 8.290 nan 0.000 0.490 121 A N -0.643 122.133 122.820 -0.073 0.000 1.940 121 A HA -0.023 4.308 4.320 0.019 0.000 0.219 121 A C 2.402 179.926 177.584 -0.101 0.000 1.176 121 A CA 2.177 54.171 52.037 -0.071 0.000 0.631 121 A CB -0.570 18.395 19.000 -0.059 0.000 0.814 121 A HN 0.592 nan 8.150 nan 0.000 0.446 122 V N -1.181 118.626 119.914 -0.179 0.000 2.453 122 V HA 0.130 4.261 4.120 0.019 0.000 0.247 122 V C 2.262 178.263 176.094 -0.154 0.000 1.048 122 V CA 1.591 63.756 62.300 -0.225 0.000 1.049 122 V CB -1.202 30.349 31.823 -0.454 0.000 0.672 122 V HN 1.133 nan 8.190 nan 0.000 0.457 123 G N -1.120 107.620 108.800 -0.101 0.000 2.205 123 G HA2 -0.288 3.684 3.960 0.019 0.000 0.261 123 G HA3 -0.288 3.684 3.960 0.019 0.000 0.261 123 G C 0.195 175.082 174.900 -0.021 0.000 0.980 123 G CA 0.203 45.271 45.100 -0.053 0.000 0.632 123 G HN 0.550 nan 8.290 nan 0.000 0.533 124 C N 0.803 120.100 119.300 -0.005 0.000 2.779 124 C HA 0.860 5.331 4.460 0.019 0.000 0.314 124 C C 0.931 176.029 174.990 0.180 0.000 1.231 124 C CA -0.056 59.002 59.018 0.067 0.000 1.652 124 C CB 1.594 29.367 27.740 0.056 0.000 2.198 124 C HN 1.019 nan 8.230 nan 0.000 0.483 125 S N 0.800 116.609 115.700 0.182 0.000 2.645 125 S HA 0.367 4.848 4.470 0.019 0.000 0.266 125 S C 0.811 175.569 174.600 0.262 0.000 1.258 125 S CA -0.480 57.854 58.200 0.223 0.000 0.990 125 S CB 0.641 63.927 63.200 0.143 0.000 0.967 125 S HN 0.521 nan 8.310 nan 0.000 0.556 126 V N 1.442 121.466 119.914 0.184 0.000 2.407 126 V HA -0.128 4.004 4.120 0.019 0.000 0.248 126 V C 2.923 179.098 176.094 0.135 0.000 1.055 126 V CA 2.186 64.530 62.300 0.074 0.000 1.049 126 V CB -1.768 30.015 31.823 -0.067 0.000 0.662 126 V HN 1.000 nan 8.190 nan 0.000 0.455 127 A N -0.161 122.743 122.820 0.140 0.000 1.902 127 A HA -0.246 4.085 4.320 0.019 0.000 0.217 127 A C 2.169 179.855 177.584 0.171 0.000 1.181 127 A CA 1.878 54.014 52.037 0.164 0.000 0.623 127 A CB -0.435 18.653 19.000 0.147 0.000 0.818 127 A HN 0.631 nan 8.150 nan 0.000 0.443 128 E N -0.433 119.861 120.200 0.157 0.000 2.150 128 E HA -0.095 4.266 4.350 0.019 0.000 0.193 128 E C 1.929 178.632 176.600 0.171 0.000 0.985 128 E CA 1.088 57.572 56.400 0.140 0.000 0.814 128 E CB -0.226 29.544 29.700 0.116 0.000 0.752 128 E HN 0.418 nan 8.360 nan 0.000 0.466 129 V N 1.385 121.434 119.914 0.225 0.000 2.307 129 V HA -0.207 3.924 4.120 0.019 0.000 0.245 129 V C 2.079 178.373 176.094 0.333 0.000 1.045 129 V CA 1.378 63.854 62.300 0.293 0.000 1.024 129 V CB -0.265 31.783 31.823 0.375 0.000 0.651 129 V HN 0.279 nan 8.190 nan 0.000 0.449 130 L N -0.418 121.006 121.223 0.334 0.000 2.599 130 L HA 0.023 4.374 4.340 0.019 0.000 0.230 130 L C 2.439 179.556 176.870 0.412 0.000 1.141 130 L CA 0.169 55.298 54.840 0.483 0.000 0.877 130 L CB -0.536 41.770 42.059 0.411 0.000 1.009 130 L HN 0.234 nan 8.230 nan 0.000 0.447 131 R N 1.455 122.093 120.500 0.232 0.000 2.140 131 R HA -0.186 4.166 4.340 0.019 0.000 0.250 131 R C -0.612 175.708 176.300 0.033 0.000 1.150 131 R CA 2.030 58.196 56.100 0.111 0.000 0.966 131 R CB -1.451 28.895 30.300 0.077 0.000 0.869 131 R HN 0.197 nan 8.270 nan 0.000 0.445 132 P HA -0.131 nan 4.420 nan 0.000 0.216 132 P C 0.716 177.828 177.300 -0.314 0.000 1.150 132 P CA 1.473 64.413 63.100 -0.266 0.000 0.843 132 P CB -0.097 31.311 31.700 -0.487 0.000 0.787 133 F N -0.635 119.419 119.950 0.173 0.000 2.293 133 F HA -0.004 4.535 4.527 0.020 0.000 0.297 133 F C 2.499 178.385 175.800 0.143 0.000 1.089 133 F CA 0.843 59.031 58.000 0.314 0.000 1.377 133 F CB -0.855 38.464 39.000 0.531 0.000 1.051 133 F HN -0.039 nan 8.300 nan 0.000 0.511 134 E N 1.113 121.301 120.200 -0.020 0.000 2.047 134 E HA -0.173 4.188 4.350 0.019 0.000 0.191 134 E C 2.176 178.612 176.600 -0.272 0.000 0.987 134 E CA 1.093 57.090 56.400 -0.673 0.000 0.799 134 E CB -0.178 29.153 29.700 -0.615 0.000 0.752 134 E HN 0.410 nan 8.360 nan 0.000 0.449 135 L N 0.491 121.658 121.223 -0.094 0.000 2.083 135 L HA -0.157 4.195 4.340 0.019 0.000 0.209 135 L C 2.674 179.581 176.870 0.061 0.000 1.083 135 L CA 1.478 56.309 54.840 -0.015 0.000 0.752 135 L CB -0.614 41.429 42.059 -0.026 0.000 0.899 135 L HN 0.211 nan 8.230 nan 0.000 0.433 136 T N 0.070 114.671 114.554 0.078 0.000 2.674 136 T HA -0.200 4.162 4.350 0.019 0.000 0.265 136 T C 2.041 176.914 174.700 0.287 0.000 1.039 136 T CA 1.510 63.709 62.100 0.165 0.000 1.150 136 T CB -0.271 68.731 68.868 0.223 0.000 0.864 136 T HN 0.453 nan 8.240 nan 0.000 0.427 137 A N 1.746 124.756 122.820 0.317 0.000 1.883 137 A HA -0.156 4.175 4.320 0.019 0.000 0.217 137 A C 2.254 179.959 177.584 0.202 0.000 1.186 137 A CA 1.737 53.949 52.037 0.292 0.000 0.624 137 A CB -0.483 18.680 19.000 0.272 0.000 0.822 137 A HN 0.477 nan 8.150 nan 0.000 0.444 138 K N -1.908 118.571 120.400 0.131 0.000 2.097 138 K HA -0.159 4.173 4.320 0.019 0.000 0.206 138 K C 1.928 178.598 176.600 0.116 0.000 1.049 138 K CA 1.575 57.925 56.287 0.106 0.000 0.933 138 K CB -0.360 32.177 32.500 0.061 0.000 0.717 138 K HN 0.610 nan 8.250 nan 0.000 0.442 139 Y N 0.828 121.150 120.300 0.037 0.000 2.256 139 Y HA -0.259 4.302 4.550 0.018 0.000 0.288 139 Y C 1.670 177.601 175.900 0.052 0.000 1.155 139 Y CA 1.122 59.235 58.100 0.022 0.000 1.203 139 Y CB -0.031 38.414 38.460 -0.025 0.000 0.980 139 Y HN 0.027 nan 8.280 nan 0.000 0.530 140 C N 1.287 120.702 119.300 0.193 0.000 2.578 140 C HA 0.179 4.650 4.460 0.019 0.000 0.285 140 C C 0.541 175.568 174.990 0.062 0.000 1.297 140 C CA 0.509 59.619 59.018 0.154 0.000 1.690 140 C CB -2.475 25.413 27.740 0.247 0.000 1.773 140 C HN 0.704 nan 8.230 nan 0.000 0.594 141 N N -0.080 118.636 118.700 0.028 0.000 2.754 141 N HA -0.170 4.581 4.740 0.019 0.000 0.248 141 N C 0.033 175.565 175.510 0.037 0.000 1.093 141 N CA 0.179 53.236 53.050 0.012 0.000 0.699 141 N CB -0.664 37.809 38.487 -0.024 0.000 1.016 141 N HN 0.699 nan 8.380 nan 0.000 0.552 142 A N 0.299 123.166 122.820 0.078 0.000 2.257 142 A HA 0.409 4.740 4.320 0.019 0.000 0.289 142 A C 0.196 177.834 177.584 0.090 0.000 1.095 142 A CA -0.182 51.904 52.037 0.082 0.000 0.836 142 A CB 0.615 19.686 19.000 0.117 0.000 1.111 142 A HN 0.233 nan 8.150 nan 0.000 0.497 143 D N -0.045 120.394 120.400 0.066 0.000 2.500 143 D HA 0.222 4.873 4.640 0.019 0.000 0.219 143 D C -0.967 175.378 176.300 0.075 0.000 1.137 143 D CA -0.159 53.877 54.000 0.059 0.000 0.946 143 D CB -0.439 40.367 40.800 0.010 0.000 1.022 143 D HN 0.323 nan 8.370 nan 0.000 0.518 144 Y N 4.301 124.612 120.300 0.017 0.000 2.569 144 Y HA 0.170 4.732 4.550 0.021 0.000 0.332 144 Y C 0.004 175.925 175.900 0.034 0.000 1.120 144 Y CA 0.020 58.137 58.100 0.029 0.000 1.416 144 Y CB 0.267 38.768 38.460 0.069 0.000 1.210 144 Y HN 0.189 nan 8.280 nan 0.000 0.528 145 R N 6.308 126.511 120.500 -0.495 0.000 2.720 145 R HA 0.436 4.788 4.340 0.019 0.000 0.272 145 R C -2.657 173.404 176.300 -0.398 0.000 0.991 145 R CA -2.785 53.113 56.100 -0.337 0.000 1.010 145 R CB -0.041 30.104 30.300 -0.258 0.000 1.141 145 R HN 0.513 nan 8.270 nan 0.000 0.494 146 P HA 0.053 nan 4.420 nan 0.000 0.265 146 P C -2.151 175.275 177.300 0.209 0.000 1.193 146 P CA -0.517 62.609 63.100 0.043 0.000 0.765 146 P CB 0.055 31.826 31.700 0.118 0.000 0.823 147 P HA 0.163 nan 4.420 nan 0.000 0.276 147 P C -1.068 176.177 177.300 -0.092 0.000 1.252 147 P CA -0.219 62.949 63.100 0.112 0.000 0.802 147 P CB 0.660 32.386 31.700 0.044 0.000 1.035 148 F N 1.704 121.183 119.950 -0.784 0.000 2.404 148 F HA 0.430 4.964 4.527 0.012 0.000 0.354 148 F C 0.036 175.473 175.800 -0.604 0.000 1.122 148 F CA 0.166 57.497 58.000 -1.114 0.000 1.080 148 F CB 1.043 38.785 39.000 -2.095 0.000 1.131 148 F HN 0.329 nan 8.300 nan 0.000 0.471 149 T N 3.242 117.259 114.554 -0.896 0.000 2.907 149 T HA 0.671 5.032 4.350 0.019 0.000 0.292 149 T C -1.466 172.948 174.700 -0.476 0.000 1.043 149 T CA -0.699 61.065 62.100 -0.560 0.000 1.003 149 T CB 1.929 70.580 68.868 -0.362 0.000 1.084 149 T HN 0.538 nan 8.240 nan 0.000 0.483 150 F N 1.532 121.210 119.950 -0.452 0.000 2.605 150 F HA 0.519 5.055 4.527 0.015 0.000 0.320 150 F C -1.567 174.025 175.800 -0.346 0.000 1.159 150 F CA -0.849 56.991 58.000 -0.266 0.000 0.999 150 F CB 1.538 40.528 39.000 -0.017 0.000 1.258 150 F HN 0.828 nan 8.300 nan 0.000 0.464 151 H N 3.378 121.944 119.070 -0.839 0.000 2.488 151 H HA 0.502 5.068 4.556 0.017 0.000 0.322 151 H C 0.209 174.963 175.328 -0.957 0.000 1.078 151 H CA -0.268 55.373 56.048 -0.678 0.000 1.260 151 H CB 1.390 30.925 29.762 -0.378 0.000 1.425 151 H HN 0.586 nan 8.280 nan 0.000 0.471 161 E N 3.249 123.463 120.200 0.023 0.000 2.031 161 E HA 0.065 4.426 4.350 0.019 0.000 0.193 161 E C 1.993 178.615 176.600 0.036 0.000 0.994 161 E CA 1.914 58.331 56.400 0.029 0.000 0.800 161 E CB -0.335 29.379 29.700 0.023 0.000 0.752 161 E HN 0.478 nan 8.360 nan 0.000 0.447 162 A N 0.624 123.464 122.820 0.032 0.000 1.930 162 A HA -0.015 4.316 4.320 0.019 0.000 0.217 162 A C 2.404 180.019 177.584 0.052 0.000 1.175 162 A CA 1.990 54.050 52.037 0.039 0.000 0.627 162 A CB -0.936 18.082 19.000 0.031 0.000 0.815 162 A HN 0.373 nan 8.150 nan 0.000 0.443 163 A N -0.032 122.817 122.820 0.047 0.000 1.902 163 A HA -0.166 4.166 4.320 0.019 0.000 0.217 163 A C 2.243 179.872 177.584 0.074 0.000 1.181 163 A CA 1.741 53.814 52.037 0.060 0.000 0.623 163 A CB -0.497 18.526 19.000 0.037 0.000 0.818 163 A HN 0.591 nan 8.150 nan 0.000 0.443 164 R N -0.435 120.101 120.500 0.061 0.000 2.096 164 R HA -0.166 4.185 4.340 0.019 0.000 0.235 164 R C 2.209 178.569 176.300 0.099 0.000 1.127 164 R CA 1.800 57.947 56.100 0.079 0.000 0.968 164 R CB -0.337 30.011 30.300 0.079 0.000 0.861 164 R HN 0.659 nan 8.270 nan 0.000 0.440 165 Q N -0.151 119.696 119.800 0.079 0.000 2.119 165 Q HA -0.201 4.150 4.340 0.019 0.000 0.201 165 Q C 1.878 177.928 176.000 0.084 0.000 0.972 165 Q CA 1.656 57.504 55.803 0.074 0.000 0.847 165 Q CB 0.031 28.803 28.738 0.058 0.000 0.903 165 Q HN 0.291 nan 8.270 nan 0.000 0.433 166 E N 0.205 120.465 120.200 0.100 0.000 2.077 166 E HA -0.140 4.221 4.350 0.019 0.000 0.193 166 E C 1.793 178.447 176.600 0.090 0.000 0.989 166 E CA 1.014 57.494 56.400 0.132 0.000 0.800 166 E CB -0.085 29.735 29.700 0.199 0.000 0.746 166 E HN 0.106 nan 8.360 nan 0.000 0.452 167 V N 0.889 120.850 119.914 0.078 0.000 2.407 167 V HA -0.234 3.897 4.120 0.019 0.000 0.248 167 V C 2.124 178.248 176.094 0.050 0.000 1.055 167 V CA 2.185 64.453 62.300 -0.054 0.000 1.049 167 V CB -0.531 31.256 31.823 -0.060 0.000 0.662 167 V HN 0.303 nan 8.190 nan 0.000 0.455 168 E N -0.147 120.132 120.200 0.132 0.000 2.110 168 E HA -0.215 4.146 4.350 0.019 0.000 0.193 168 E C 2.478 179.123 176.600 0.075 0.000 0.988 168 E CA 1.129 57.607 56.400 0.130 0.000 0.804 168 E CB -0.150 29.606 29.700 0.092 0.000 0.745 168 E HN 0.537 nan 8.360 nan 0.000 0.458 169 R N 0.455 120.987 120.500 0.054 0.000 2.075 169 R HA -0.109 4.243 4.340 0.019 0.000 0.232 169 R C 2.711 179.029 176.300 0.030 0.000 1.126 169 R CA 1.528 57.655 56.100 0.045 0.000 0.963 169 R CB -0.302 30.032 30.300 0.058 0.000 0.858 169 R HN 0.160 nan 8.270 nan 0.000 0.435 170 S N 0.706 116.387 115.700 -0.033 0.000 2.382 170 S HA -0.119 4.363 4.470 0.019 0.000 0.228 170 S C 2.236 176.842 174.600 0.009 0.000 1.027 170 S CA 1.013 59.176 58.200 -0.062 0.000 0.991 170 S CB -0.218 62.653 63.200 -0.549 0.000 0.823 170 S HN 0.358 nan 8.310 nan 0.000 0.469 171 A N 2.494 125.359 122.820 0.074 0.000 1.902 171 A HA -0.032 4.299 4.320 0.019 0.000 0.217 171 A C 2.435 179.990 177.584 -0.049 0.000 1.181 171 A CA 1.313 53.376 52.037 0.044 0.000 0.623 171 A CB -0.608 18.519 19.000 0.211 0.000 0.818 171 A HN 0.597 nan 8.150 nan 0.000 0.443 172 R N -0.314 120.183 120.500 -0.005 0.000 2.075 172 R HA -0.103 4.248 4.340 0.019 0.000 0.232 172 R C 1.516 177.789 176.300 -0.045 0.000 1.126 172 R CA 1.396 57.486 56.100 -0.017 0.000 0.963 172 R CB -0.449 29.860 30.300 0.015 0.000 0.858 172 R HN 0.486 nan 8.270 nan 0.000 0.435 173 D N 0.145 120.546 120.400 0.000 0.000 2.144 173 D HA -0.203 4.448 4.640 0.019 0.000 0.199 173 D C 1.616 177.835 176.300 -0.136 0.000 0.984 173 D CA 1.084 55.122 54.000 0.064 0.000 0.834 173 D CB -0.369 40.580 40.800 0.248 0.000 0.955 173 D HN 0.331 nan 8.370 nan 0.000 0.465 174 Y N 1.361 121.224 120.300 -0.728 0.000 2.165 174 Y HA -0.218 4.341 4.550 0.015 0.000 0.286 174 Y C 2.327 177.795 175.900 -0.720 0.000 1.155 174 Y CA 0.835 58.055 58.100 -1.468 0.000 1.164 174 Y CB -0.079 37.411 38.460 -1.617 0.000 0.978 174 Y HN -0.095 nan 8.280 nan 0.000 0.513 175 L N -0.130 120.797 121.223 -0.495 0.000 2.012 175 L HA -0.274 4.078 4.340 0.019 0.000 0.210 175 L C 2.885 179.591 176.870 -0.274 0.000 1.073 175 L CA 1.168 55.744 54.840 -0.439 0.000 0.748 175 L CB -0.961 40.965 42.059 -0.221 0.000 0.891 175 L HN 0.345 nan 8.230 nan 0.000 0.431 176 A N -0.676 122.051 122.820 -0.155 0.000 1.902 176 A HA -0.282 4.049 4.320 0.019 0.000 0.217 176 A C 2.006 179.565 177.584 -0.042 0.000 1.181 176 A CA 1.632 53.628 52.037 -0.069 0.000 0.623 176 A CB -1.089 17.908 19.000 -0.006 0.000 0.818 176 A HN 0.634 nan 8.150 nan 0.000 0.443 177 W N 0.162 121.309 121.300 -0.255 0.000 2.358 177 W HA -0.157 4.511 4.660 0.013 0.000 0.303 177 W C 1.609 177.969 176.519 -0.264 0.000 1.208 177 W CA 1.676 58.894 57.345 -0.212 0.000 1.274 177 W CB -0.257 29.052 29.460 -0.253 0.000 1.138 177 W HN 0.250 nan 8.180 nan 0.000 0.515 178 L N 1.004 122.094 121.223 -0.222 0.000 2.017 178 L HA -0.240 4.112 4.340 0.019 0.000 0.208 178 L C 2.141 178.861 176.870 -0.250 0.000 1.073 178 L CA 2.165 56.755 54.840 -0.417 0.000 0.745 178 L CB -1.439 40.128 42.059 -0.820 0.000 0.894 178 L HN -0.029 nan 8.230 nan 0.000 0.432 179 D N -0.725 119.593 120.400 -0.136 0.000 2.117 179 D HA -0.161 4.491 4.640 0.019 0.000 0.197 179 D C 2.168 178.386 176.300 -0.137 0.000 0.987 179 D CA 1.465 55.428 54.000 -0.061 0.000 0.829 179 D CB -0.008 40.760 40.800 -0.054 0.000 0.961 179 D HN 0.353 nan 8.370 nan 0.000 0.460 180 A N 0.983 123.689 122.820 -0.190 0.000 1.908 180 A HA -0.178 4.153 4.320 0.019 0.000 0.218 180 A C 2.218 179.635 177.584 -0.279 0.000 1.181 180 A CA 1.089 53.001 52.037 -0.208 0.000 0.627 180 A CB -0.812 18.063 19.000 -0.209 0.000 0.818 180 A HN 0.233 nan 8.150 nan 0.000 0.445 181 L N -0.040 120.919 121.223 -0.440 0.000 2.042 181 L HA -0.156 4.196 4.340 0.019 0.000 0.210 181 L C 1.576 178.292 176.870 -0.258 0.000 1.076 181 L CA 1.513 56.075 54.840 -0.464 0.000 0.749 181 L CB -0.575 41.068 42.059 -0.693 0.000 0.893 181 L HN 0.528 nan 8.230 nan 0.000 0.432 182 Q N 0.000 119.690 119.800 -0.183 0.000 2.315 182 Q HA 0.000 4.351 4.340 0.019 0.000 0.214 182 Q CA 0.000 55.741 55.803 -0.104 0.000 1.022 182 Q CB 0.000 28.705 28.738 -0.055 0.000 1.108 182 Q HN 0.000 nan 8.270 nan 0.000 0.481