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 2vlv_1_B DATA FIRST_RESID 9 DATA SEQUENCE AVAAEVISVH SLEQWTMQIE EANTAKKLVV IDFTASWCGP CRIMAPVFAD DATA SEQUENCE LAKKFPNAVF LKVDVDELKP IAEQFSVEAM PTFLFMKEGD VKDRVVGAIK DATA SEQUENCE EELTAKVGLH AAAQ 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.572 177.584 -0.019 0.000 1.274 9 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 9 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 10 V N 2.388 122.291 119.914 -0.018 0.000 2.567 10 V HA 0.724 4.844 4.120 0.001 0.000 0.289 10 V C 0.874 176.952 176.094 -0.026 0.000 1.049 10 V CA 0.283 62.572 62.300 -0.020 0.000 0.969 10 V CB 1.322 33.136 31.823 -0.015 0.000 0.995 10 V HN 2.091 nan 8.190 nan 0.000 0.471 11 A N 5.701 128.501 122.820 -0.033 0.000 2.407 11 A HA 0.714 5.035 4.320 0.001 0.000 0.248 11 A C 0.561 178.118 177.584 -0.045 0.000 1.082 11 A CA 0.265 52.275 52.037 -0.046 0.000 0.785 11 A CB 0.306 19.273 19.000 -0.054 0.000 1.020 11 A HN 1.793 nan 8.150 nan 0.000 0.489 12 A N 1.423 124.209 122.820 -0.057 0.000 2.425 12 A HA 0.543 4.863 4.320 0.001 0.000 0.249 12 A C 0.260 177.796 177.584 -0.081 0.000 1.084 12 A CA -0.004 52.002 52.037 -0.052 0.000 0.781 12 A CB 0.196 19.170 19.000 -0.043 0.000 1.019 12 A HN 0.906 nan 8.150 nan 0.000 0.490 13 E N 1.099 121.266 120.200 -0.057 0.000 2.369 13 E HA 0.528 4.878 4.350 0.001 0.000 0.270 13 E C -1.201 175.376 176.600 -0.038 0.000 0.909 13 E CA -0.811 55.552 56.400 -0.061 0.000 0.775 13 E CB 1.969 31.654 29.700 -0.026 0.000 1.270 13 E HN 0.450 nan 8.360 nan 0.000 0.445 14 V N 3.125 123.019 119.914 -0.034 0.000 2.655 14 V HA 0.063 4.183 4.120 0.001 0.000 0.300 14 V C 0.047 176.185 176.094 0.072 0.000 1.044 14 V CA 0.275 62.610 62.300 0.058 0.000 1.095 14 V CB 0.364 32.272 31.823 0.141 0.000 0.952 14 V HN 0.452 nan 8.190 nan 0.000 0.485 15 I N 3.877 124.498 120.570 0.086 0.000 2.321 15 I HA 0.231 4.401 4.170 0.001 0.000 0.291 15 I C 0.519 176.644 176.117 0.012 0.000 0.998 15 I CA 0.574 61.898 61.300 0.041 0.000 1.227 15 I CB 1.592 39.605 38.000 0.022 0.000 1.368 15 I HN 0.530 nan 8.210 nan 0.000 0.466 16 S N 5.626 121.306 115.700 -0.033 0.000 2.416 16 S HA 0.408 4.879 4.470 0.001 0.000 0.287 16 S C -0.231 174.133 174.600 -0.394 0.000 1.139 16 S CA -0.546 57.547 58.200 -0.177 0.000 1.058 16 S CB 0.129 63.270 63.200 -0.098 0.000 0.967 16 S HN 0.330 nan 8.310 nan 0.000 0.495 17 V N 7.190 126.902 119.914 -0.337 0.000 2.406 17 V HA 0.307 4.428 4.120 0.001 0.000 0.272 17 V C 0.569 176.478 176.094 -0.309 0.000 1.043 17 V CA -0.380 61.794 62.300 -0.210 0.000 0.915 17 V CB 0.947 32.796 31.823 0.043 0.000 0.988 17 V HN 0.883 nan 8.190 nan 0.000 0.466 18 H N 2.171 121.283 119.070 0.071 0.000 2.986 18 H HA 0.269 4.826 4.556 0.001 0.000 0.267 18 H C 0.769 176.130 175.328 0.054 0.000 1.072 18 H CA 0.550 56.628 56.048 0.051 0.000 1.202 18 H CB 1.205 30.990 29.762 0.039 0.000 1.535 18 H HN 0.692 nan 8.280 nan 0.000 0.522 19 S N -0.520 115.275 115.700 0.159 0.000 2.618 19 S HA 0.322 4.792 4.470 0.001 0.000 0.277 19 S C 0.790 175.474 174.600 0.140 0.000 1.138 19 S CA -0.786 57.490 58.200 0.126 0.000 0.844 19 S CB 1.516 64.784 63.200 0.114 0.000 1.127 19 S HN 0.009 nan 8.310 nan 0.000 0.474 20 L N 0.702 121.994 121.223 0.114 0.000 2.141 20 L HA -0.035 4.305 4.340 0.001 0.000 0.209 20 L C 2.366 179.351 176.870 0.192 0.000 1.094 20 L CA 1.332 56.259 54.840 0.146 0.000 0.763 20 L CB -0.585 41.522 42.059 0.080 0.000 0.908 20 L HN 0.706 nan 8.230 nan 0.000 0.437 21 E N -0.182 120.097 120.200 0.132 0.000 2.077 21 E HA -0.267 4.083 4.350 0.001 0.000 0.193 21 E C 2.134 178.800 176.600 0.111 0.000 0.989 21 E CA 1.077 57.541 56.400 0.107 0.000 0.800 21 E CB -0.168 29.578 29.700 0.076 0.000 0.746 21 E HN 0.406 nan 8.360 nan 0.000 0.452 22 Q N -0.524 119.351 119.800 0.124 0.000 2.119 22 Q HA -0.158 4.182 4.340 0.001 0.000 0.201 22 Q C 1.859 177.931 176.000 0.121 0.000 0.972 22 Q CA 1.151 57.015 55.803 0.103 0.000 0.847 22 Q CB -0.249 28.549 28.738 0.100 0.000 0.903 22 Q HN 0.514 nan 8.270 nan 0.000 0.433 23 W N 1.073 122.378 121.300 0.008 0.000 2.333 23 W HA -0.216 4.444 4.660 0.000 0.000 0.316 23 W C 1.573 178.103 176.519 0.020 0.000 1.215 23 W CA 2.040 59.392 57.345 0.011 0.000 1.278 23 W CB -0.623 28.855 29.460 0.029 0.000 1.154 23 W HN 0.140 nan 8.180 nan 0.000 0.486 24 T N 1.974 116.603 114.554 0.124 0.000 2.665 24 T HA -0.282 4.068 4.350 0.001 0.000 0.268 24 T C 1.964 176.610 174.700 -0.090 0.000 1.035 24 T CA 2.502 64.609 62.100 0.011 0.000 1.151 24 T CB -0.580 68.354 68.868 0.110 0.000 0.862 24 T HN 0.178 nan 8.240 nan 0.000 0.438 25 M N 0.607 120.178 119.600 -0.048 0.000 2.086 25 M HA -0.112 4.368 4.480 0.001 0.000 0.261 25 M C 2.704 178.939 176.300 -0.109 0.000 1.067 25 M CA 1.373 56.640 55.300 -0.056 0.000 1.116 25 M CB -0.411 32.178 32.600 -0.018 0.000 1.348 25 M HN 0.124 nan 8.290 nan 0.000 0.407 26 Q N 0.336 120.043 119.800 -0.156 0.000 2.050 26 Q HA -0.114 4.226 4.340 0.001 0.000 0.202 26 Q C 2.127 177.963 176.000 -0.273 0.000 0.980 26 Q CA 1.361 57.045 55.803 -0.198 0.000 0.840 26 Q CB -0.375 28.234 28.738 -0.214 0.000 0.898 26 Q HN 0.511 nan 8.270 nan 0.000 0.424 27 I N 0.982 121.295 120.570 -0.428 0.000 2.252 27 I HA -0.194 3.977 4.170 0.001 0.000 0.245 27 I C 2.151 178.140 176.117 -0.213 0.000 1.102 27 I CA 1.105 62.159 61.300 -0.411 0.000 1.385 27 I CB -1.103 36.533 38.000 -0.607 0.000 1.064 27 I HN 0.284 nan 8.210 nan 0.000 0.414 28 E N 0.836 120.938 120.200 -0.163 0.000 2.049 28 E HA -0.251 4.100 4.350 0.001 0.000 0.198 28 E C 2.092 178.647 176.600 -0.075 0.000 1.007 28 E CA 1.558 57.905 56.400 -0.089 0.000 0.809 28 E CB -0.080 29.584 29.700 -0.060 0.000 0.749 28 E HN 0.540 nan 8.360 nan 0.000 0.450 29 E N 0.153 120.304 120.200 -0.081 0.000 2.106 29 E HA -0.154 4.196 4.350 0.001 0.000 0.192 29 E C 2.030 178.592 176.600 -0.063 0.000 0.984 29 E CA 0.728 57.092 56.400 -0.061 0.000 0.806 29 E CB -0.066 29.601 29.700 -0.055 0.000 0.750 29 E HN 0.220 nan 8.360 nan 0.000 0.458 30 A N 1.794 124.560 122.820 -0.090 0.000 1.877 30 A HA -0.211 4.110 4.320 0.001 0.000 0.216 30 A C 1.866 179.411 177.584 -0.065 0.000 1.186 30 A CA 1.484 53.470 52.037 -0.085 0.000 0.620 30 A CB -0.441 18.484 19.000 -0.125 0.000 0.822 30 A HN 0.127 nan 8.150 nan 0.000 0.443 31 N N -0.118 118.541 118.700 -0.069 0.000 2.120 31 N HA -0.100 4.640 4.740 0.001 0.000 0.188 31 N C 1.700 177.193 175.510 -0.029 0.000 1.024 31 N CA 1.948 54.971 53.050 -0.045 0.000 0.852 31 N CB -0.863 37.599 38.487 -0.041 0.000 1.003 31 N HN 0.502 nan 8.380 nan 0.000 0.424 32 T N 0.316 114.852 114.554 -0.030 0.000 2.821 32 T HA -0.006 4.344 4.350 0.001 0.000 0.267 32 T C 1.702 176.392 174.700 -0.016 0.000 1.046 32 T CA 1.245 63.334 62.100 -0.020 0.000 1.139 32 T CB -0.216 68.641 68.868 -0.020 0.000 0.871 32 T HN 0.331 nan 8.240 nan 0.000 0.454 33 A N 0.706 123.513 122.820 -0.021 0.000 2.238 33 A HA 0.202 4.523 4.320 0.001 0.000 0.208 33 A C 0.873 178.450 177.584 -0.011 0.000 1.177 33 A CA 0.105 52.133 52.037 -0.014 0.000 0.804 33 A CB -0.364 18.626 19.000 -0.016 0.000 0.823 33 A HN 0.492 nan 8.150 nan 0.000 0.482 34 K N -0.406 119.986 120.400 -0.014 0.000 3.148 34 K HA -0.174 4.146 4.320 0.001 0.000 0.267 34 K C -0.707 175.887 176.600 -0.010 0.000 0.996 34 K CA 0.982 57.263 56.287 -0.010 0.000 0.737 34 K CB -1.234 31.265 32.500 -0.001 0.000 1.308 34 K HN 0.598 nan 8.250 nan 0.000 0.470 35 K N 0.756 121.142 120.400 -0.023 0.000 2.138 35 K HA 0.314 4.634 4.320 0.001 0.000 0.263 35 K C 0.025 176.598 176.600 -0.045 0.000 0.965 35 K CA -1.022 55.250 56.287 -0.025 0.000 0.868 35 K CB 1.112 33.594 32.500 -0.030 0.000 1.083 35 K HN 0.071 nan 8.250 nan 0.000 0.443 36 L N 2.863 124.061 121.223 -0.042 0.000 2.490 36 L HA 0.073 4.413 4.340 0.001 0.000 0.274 36 L C -0.971 175.802 176.870 -0.162 0.000 1.201 36 L CA 0.288 55.083 54.840 -0.075 0.000 0.869 36 L CB 0.709 42.741 42.059 -0.045 0.000 1.123 36 L HN 0.268 nan 8.230 nan 0.000 0.484 37 V N 5.927 125.726 119.914 -0.192 0.000 2.448 37 V HA 0.460 4.580 4.120 0.001 0.000 0.295 37 V C -0.411 175.461 176.094 -0.370 0.000 1.025 37 V CA -0.709 61.428 62.300 -0.271 0.000 0.859 37 V CB 1.657 33.347 31.823 -0.221 0.000 0.988 37 V HN 0.543 nan 8.190 nan 0.000 0.431 38 V N 6.426 126.009 119.914 -0.550 0.000 2.378 38 V HA 0.529 4.649 4.120 0.001 0.000 0.288 38 V C -0.386 175.574 176.094 -0.224 0.000 1.016 38 V CA -0.402 61.525 62.300 -0.621 0.000 0.840 38 V CB 1.477 32.704 31.823 -0.994 0.000 0.994 38 V HN 0.706 nan 8.190 nan 0.000 0.431 39 I N 3.761 124.207 120.570 -0.208 0.000 2.354 39 I HA 0.391 4.561 4.170 0.001 0.000 0.292 39 I C -0.162 175.731 176.117 -0.374 0.000 0.989 39 I CA -0.196 60.965 61.300 -0.232 0.000 1.188 39 I CB 1.584 39.375 38.000 -0.348 0.000 1.342 39 I HN 0.488 nan 8.210 nan 0.000 0.457 40 D N 6.601 126.658 120.400 -0.571 0.000 2.380 40 D HA 0.225 4.865 4.640 0.001 0.000 0.230 40 D C -0.963 174.900 176.300 -0.728 0.000 1.154 40 D CA -0.262 53.217 54.000 -0.867 0.000 0.859 40 D CB 0.303 40.304 40.800 -1.332 0.000 1.045 40 D HN 0.114 nan 8.370 nan 0.000 0.495 41 F N 2.619 122.269 119.950 -0.500 0.000 2.413 41 F HA 0.278 4.805 4.527 0.001 0.000 0.359 41 F C 1.240 176.800 175.800 -0.400 0.000 1.122 41 F CA -0.126 57.662 58.000 -0.352 0.000 1.160 41 F CB 1.433 40.276 39.000 -0.262 0.000 1.146 41 F HN 0.104 nan 8.300 nan 0.000 0.514 42 T N 2.322 116.762 114.554 -0.191 0.000 2.907 42 T HA 0.900 5.250 4.350 0.001 0.000 0.290 42 T C -1.304 173.233 174.700 -0.273 0.000 1.066 42 T CA -0.650 61.289 62.100 -0.268 0.000 1.012 42 T CB 1.451 70.157 68.868 -0.269 0.000 1.184 42 T HN 0.694 nan 8.240 nan 0.000 0.522 43 A N 0.795 123.357 122.820 -0.430 0.000 2.449 43 A HA 0.612 4.933 4.320 0.001 0.000 0.302 43 A C 1.003 178.256 177.584 -0.552 0.000 1.048 43 A CA 0.002 51.679 52.037 -0.599 0.000 0.708 43 A CB 1.275 19.536 19.000 -1.232 0.000 1.274 43 A HN 1.063 nan 8.150 nan 0.000 0.410 44 S N 0.814 116.313 115.700 -0.334 0.000 2.423 44 S HA -0.121 4.349 4.470 0.001 0.000 0.231 44 S C 1.184 175.739 174.600 -0.075 0.000 1.014 44 S CA 1.326 59.445 58.200 -0.135 0.000 0.965 44 S CB -0.473 62.730 63.200 0.004 0.000 0.785 44 S HN 1.076 nan 8.310 nan 0.000 0.495 45 W N 0.533 121.835 121.300 0.003 0.000 3.345 45 W HA 0.512 5.172 4.660 0.000 0.000 0.282 45 W C 0.108 176.628 176.519 0.003 0.000 1.302 45 W CA -1.068 56.279 57.345 0.003 0.000 1.724 45 W CB -1.123 28.337 29.460 0.001 0.000 1.104 45 W HN 0.268 nan 8.180 nan 0.000 0.694 46 C N 2.953 122.108 119.300 -0.241 0.000 2.264 46 C HA 0.613 5.073 4.460 0.001 0.000 0.324 46 C C 2.045 176.983 174.990 -0.086 0.000 1.267 46 C CA 0.401 59.279 59.018 -0.233 0.000 1.618 46 C CB 0.318 27.683 27.740 -0.625 0.000 2.278 46 C HN 0.500 nan 8.230 nan 0.000 0.499 47 G N 6.135 114.942 108.800 0.012 0.000 2.480 47 G HA2 -0.102 3.859 3.960 0.001 0.000 0.216 47 G HA3 -0.102 3.859 3.960 0.001 0.000 0.216 47 G C -0.708 174.196 174.900 0.006 0.000 1.200 47 G CA 1.122 46.235 45.100 0.022 0.000 0.782 47 G HN 0.633 nan 8.290 nan 0.000 0.554 48 P HA -0.065 nan 4.420 nan 0.000 0.217 48 P C 1.824 179.127 177.300 0.005 0.000 1.148 48 P CA 0.970 64.079 63.100 0.016 0.000 0.828 48 P CB -0.149 31.562 31.700 0.018 0.000 0.783 49 C N -1.086 118.179 119.300 -0.058 0.000 2.440 49 C HA -0.073 4.387 4.460 0.001 0.000 0.278 49 C C 2.636 177.610 174.990 -0.027 0.000 1.295 49 C CA 0.716 59.684 59.018 -0.084 0.000 1.738 49 C CB -1.497 26.130 27.740 -0.189 0.000 1.987 49 C HN 0.277 nan 8.230 nan 0.000 0.492 50 R N 0.564 121.053 120.500 -0.019 0.000 2.092 50 R HA -0.001 4.340 4.340 0.001 0.000 0.231 50 R C 1.963 178.282 176.300 0.033 0.000 1.119 50 R CA 1.162 57.266 56.100 0.007 0.000 0.970 50 R CB -0.327 29.978 30.300 0.008 0.000 0.864 50 R HN 0.530 nan 8.270 nan 0.000 0.440 51 I N 0.501 121.095 120.570 0.040 0.000 2.179 51 I HA -0.268 3.903 4.170 0.001 0.000 0.242 51 I C 2.147 178.311 176.117 0.078 0.000 1.088 51 I CA 1.177 62.509 61.300 0.054 0.000 1.357 51 I CB -0.126 37.906 38.000 0.055 0.000 1.051 51 I HN 0.138 nan 8.210 nan 0.000 0.409 52 M N 0.067 119.733 119.600 0.110 0.000 2.506 52 M HA 0.040 4.520 4.480 0.001 0.000 0.260 52 M C 2.465 178.883 176.300 0.195 0.000 1.104 52 M CA 0.856 56.264 55.300 0.179 0.000 1.112 52 M CB -1.244 31.560 32.600 0.340 0.000 1.401 52 M HN 0.250 nan 8.290 nan 0.000 0.473 53 A N 2.083 124.985 122.820 0.137 0.000 1.873 53 A HA -0.135 4.185 4.320 0.001 0.000 0.218 53 A C -0.157 177.520 177.584 0.154 0.000 1.193 53 A CA 1.813 53.936 52.037 0.143 0.000 0.629 53 A CB -2.125 16.922 19.000 0.079 0.000 0.826 53 A HN 0.349 nan 8.150 nan 0.000 0.447 54 P HA -0.063 nan 4.420 nan 0.000 0.219 54 P C 1.576 178.914 177.300 0.063 0.000 1.150 54 P CA 1.396 64.536 63.100 0.066 0.000 0.814 54 P CB -0.261 31.465 31.700 0.043 0.000 0.787 55 V N -0.483 119.483 119.914 0.087 0.000 2.343 55 V HA -0.220 3.900 4.120 0.001 0.000 0.247 55 V C 2.449 178.592 176.094 0.082 0.000 1.051 55 V CA 1.720 64.061 62.300 0.067 0.000 1.036 55 V CB -1.494 30.367 31.823 0.063 0.000 0.654 55 V HN -0.046 nan 8.190 nan 0.000 0.451 56 F N 1.337 121.283 119.950 -0.007 0.000 2.146 56 F HA -0.057 4.470 4.527 0.000 0.000 0.298 56 F C 2.304 178.058 175.800 -0.077 0.000 1.096 56 F CA 1.134 59.139 58.000 0.008 0.000 1.275 56 F CB -0.546 38.549 39.000 0.159 0.000 1.008 56 F HN 0.065 nan 8.300 nan 0.000 0.480 57 A N -0.326 122.497 122.820 0.004 0.000 1.902 57 A HA -0.254 4.066 4.320 0.001 0.000 0.217 57 A C 1.903 179.353 177.584 -0.224 0.000 1.181 57 A CA 2.072 54.035 52.037 -0.125 0.000 0.623 57 A CB -1.237 17.756 19.000 -0.012 0.000 0.818 57 A HN 0.496 nan 8.150 nan 0.000 0.443 58 D N -0.359 119.951 120.400 -0.150 0.000 2.117 58 D HA -0.111 4.530 4.640 0.001 0.000 0.197 58 D C 1.809 177.986 176.300 -0.204 0.000 0.987 58 D CA 1.197 55.113 54.000 -0.141 0.000 0.829 58 D CB -0.190 40.569 40.800 -0.068 0.000 0.961 58 D HN 0.413 nan 8.370 nan 0.000 0.460 59 L N 0.094 121.165 121.223 -0.253 0.000 2.083 59 L HA -0.106 4.235 4.340 0.001 0.000 0.209 59 L C 2.618 179.089 176.870 -0.664 0.000 1.083 59 L CA 1.050 55.741 54.840 -0.248 0.000 0.752 59 L CB -0.534 41.419 42.059 -0.177 0.000 0.899 59 L HN 0.107 nan 8.230 nan 0.000 0.433 60 A N 1.240 123.338 122.820 -1.202 0.000 1.908 60 A HA -0.262 4.059 4.320 0.001 0.000 0.218 60 A C 2.321 179.576 177.584 -0.549 0.000 1.181 60 A CA 2.231 53.431 52.037 -1.395 0.000 0.627 60 A CB -0.458 17.947 19.000 -0.992 0.000 0.818 60 A HN 0.558 nan 8.150 nan 0.000 0.445 61 K N -0.498 119.687 120.400 -0.358 0.000 2.228 61 K HA 0.029 4.349 4.320 0.001 0.000 0.202 61 K C 1.640 178.121 176.600 -0.199 0.000 1.051 61 K CA 1.362 57.522 56.287 -0.211 0.000 0.960 61 K CB -0.110 32.293 32.500 -0.161 0.000 0.743 61 K HN 0.324 nan 8.250 nan 0.000 0.458 62 K N -0.164 120.097 120.400 -0.232 0.000 2.296 62 K HA 0.043 4.363 4.320 0.001 0.000 0.200 62 K C -0.404 175.837 176.600 -0.598 0.000 1.048 62 K CA 0.605 56.674 56.287 -0.362 0.000 0.966 62 K CB 0.164 32.465 32.500 -0.331 0.000 0.754 62 K HN 0.103 nan 8.250 nan 0.000 0.466 63 F N 0.710 120.603 119.950 -0.094 0.000 2.622 63 F HA 0.218 4.746 4.527 0.001 0.000 0.338 63 F C -1.931 173.915 175.800 0.077 0.000 1.334 63 F CA -2.092 55.933 58.000 0.042 0.000 1.179 63 F CB 1.508 40.623 39.000 0.193 0.000 1.471 63 F HN -0.123 nan 8.300 nan 0.000 0.576 64 P HA -0.101 nan 4.420 nan 0.000 0.226 64 P C 0.786 178.152 177.300 0.109 0.000 1.153 64 P CA 1.159 64.304 63.100 0.075 0.000 0.777 64 P CB 0.418 32.121 31.700 0.005 0.000 0.794 65 N N -0.206 118.575 118.700 0.136 0.000 2.467 65 N HA 0.083 4.824 4.740 0.001 0.000 0.184 65 N C 0.717 176.295 175.510 0.114 0.000 1.106 65 N CA 0.223 53.338 53.050 0.109 0.000 0.892 65 N CB -0.058 38.487 38.487 0.097 0.000 0.969 65 N HN 0.152 nan 8.380 nan 0.000 0.454 66 A N -0.042 122.888 122.820 0.183 0.000 2.320 66 A HA 0.616 4.936 4.320 0.001 0.000 0.334 66 A C -0.310 177.330 177.584 0.093 0.000 1.147 66 A CA -0.526 51.559 52.037 0.081 0.000 0.820 66 A CB 1.339 20.348 19.000 0.016 0.000 1.218 66 A HN -0.070 nan 8.150 nan 0.000 0.482 67 V N 1.833 121.695 119.914 -0.086 0.000 2.350 67 V HA 0.358 4.478 4.120 0.001 0.000 0.276 67 V C -1.106 174.882 176.094 -0.177 0.000 1.028 67 V CA -0.012 62.261 62.300 -0.044 0.000 0.860 67 V CB 0.215 31.989 31.823 -0.083 0.000 0.990 67 V HN 0.628 nan 8.190 nan 0.000 0.453 68 F N 5.682 125.571 119.950 -0.101 0.000 2.388 68 F HA 0.622 5.149 4.527 0.001 0.000 0.358 68 F C 0.088 175.915 175.800 0.044 0.000 1.122 68 F CA -0.469 57.471 58.000 -0.100 0.000 1.056 68 F CB 1.175 39.936 39.000 -0.399 0.000 1.155 68 F HN 0.212 nan 8.300 nan 0.000 0.461 69 L N 3.483 124.853 121.223 0.245 0.000 2.342 69 L HA 0.574 4.915 4.340 0.001 0.000 0.271 69 L C -0.419 176.526 176.870 0.125 0.000 1.008 69 L CA -1.039 53.884 54.840 0.137 0.000 0.818 69 L CB 2.301 44.366 42.059 0.010 0.000 1.296 69 L HN 0.459 nan 8.230 nan 0.000 0.427 70 K N 1.827 122.241 120.400 0.023 0.000 2.323 70 K HA 0.668 4.988 4.320 0.001 0.000 0.259 70 K C -1.708 174.778 176.600 -0.190 0.000 0.947 70 K CA -0.501 55.715 56.287 -0.119 0.000 0.819 70 K CB 1.982 34.458 32.500 -0.041 0.000 1.109 70 K HN 0.362 nan 8.250 nan 0.000 0.429 71 V N 3.927 123.660 119.914 -0.303 0.000 2.483 71 V HA 0.141 4.261 4.120 0.001 0.000 0.297 71 V C -0.631 175.372 176.094 -0.152 0.000 1.027 71 V CA -0.976 61.177 62.300 -0.245 0.000 0.855 71 V CB 1.619 33.211 31.823 -0.385 0.000 0.995 71 V HN 0.829 nan 8.190 nan 0.000 0.424 72 D N 3.294 123.653 120.400 -0.068 0.000 2.343 72 D HA 0.105 4.746 4.640 0.001 0.000 0.255 72 D C 1.172 177.487 176.300 0.026 0.000 1.187 72 D CA -0.085 53.900 54.000 -0.026 0.000 0.875 72 D CB 2.206 43.013 40.800 0.012 0.000 1.136 72 D HN 0.466 nan 8.370 nan 0.000 0.469 73 V N 1.573 121.512 119.914 0.041 0.000 2.759 73 V HA -0.105 4.015 4.120 0.001 0.000 0.256 73 V C 1.169 177.297 176.094 0.056 0.000 1.080 73 V CA 1.176 63.517 62.300 0.070 0.000 1.101 73 V CB -0.119 31.733 31.823 0.048 0.000 0.698 73 V HN 0.376 nan 8.190 nan 0.000 0.477 74 D N 0.392 120.835 120.400 0.072 0.000 2.213 74 D HA -0.068 4.573 4.640 0.001 0.000 0.205 74 D C 2.064 178.399 176.300 0.058 0.000 0.961 74 D CA 1.424 55.475 54.000 0.084 0.000 0.853 74 D CB 0.259 41.140 40.800 0.135 0.000 0.967 74 D HN 0.733 nan 8.370 nan 0.000 0.496 75 E N 0.242 120.475 120.200 0.055 0.000 2.076 75 E HA -0.018 4.332 4.350 0.001 0.000 0.190 75 E C 0.484 177.105 176.600 0.034 0.000 0.979 75 E CA 0.485 56.918 56.400 0.055 0.000 0.807 75 E CB 0.283 30.033 29.700 0.083 0.000 0.761 75 E HN 0.129 nan 8.360 nan 0.000 0.454 76 L N 1.599 122.832 121.223 0.017 0.000 2.679 76 L HA 0.296 4.636 4.340 0.001 0.000 0.238 76 L C 0.809 177.654 176.870 -0.043 0.000 1.330 76 L CA -0.378 54.449 54.840 -0.023 0.000 0.935 76 L CB 0.982 43.010 42.059 -0.052 0.000 1.243 76 L HN -0.028 nan 8.230 nan 0.000 0.484 77 K N 0.895 121.275 120.400 -0.033 0.000 2.032 77 K HA -0.137 4.184 4.320 0.001 0.000 0.209 77 K C -0.637 175.909 176.600 -0.090 0.000 1.048 77 K CA 1.442 57.701 56.287 -0.046 0.000 0.927 77 K CB -0.642 31.840 32.500 -0.030 0.000 0.712 77 K HN 0.342 nan 8.250 nan 0.000 0.441 78 P HA -0.170 nan 4.420 nan 0.000 0.216 78 P C 1.150 178.318 177.300 -0.221 0.000 1.150 78 P CA 1.084 64.098 63.100 -0.143 0.000 0.837 78 P CB 0.015 31.642 31.700 -0.122 0.000 0.786 79 I N -0.533 119.878 120.570 -0.264 0.000 2.233 79 I HA -0.133 4.037 4.170 0.001 0.000 0.243 79 I C 2.251 178.256 176.117 -0.188 0.000 1.093 79 I CA 1.425 62.506 61.300 -0.365 0.000 1.380 79 I CB -1.986 35.628 38.000 -0.644 0.000 1.067 79 I HN -0.092 nan 8.210 nan 0.000 0.413 80 A N 0.695 123.440 122.820 -0.126 0.000 1.902 80 A HA -0.203 4.118 4.320 0.001 0.000 0.217 80 A C 2.261 179.683 177.584 -0.271 0.000 1.181 80 A CA 1.566 53.440 52.037 -0.271 0.000 0.623 80 A CB -0.644 18.270 19.000 -0.145 0.000 0.818 80 A HN 0.473 nan 8.150 nan 0.000 0.443 81 E N -0.822 119.257 120.200 -0.201 0.000 2.106 81 E HA -0.242 4.109 4.350 0.001 0.000 0.192 81 E C 2.237 178.701 176.600 -0.227 0.000 0.984 81 E CA 1.119 57.412 56.400 -0.177 0.000 0.806 81 E CB -0.175 29.445 29.700 -0.135 0.000 0.750 81 E HN 0.803 nan 8.360 nan 0.000 0.458 82 Q N 0.127 119.726 119.800 -0.334 0.000 2.112 82 Q HA -0.183 4.158 4.340 0.001 0.000 0.206 82 Q C 1.117 176.780 176.000 -0.562 0.000 0.987 82 Q CA 1.505 57.004 55.803 -0.507 0.000 0.858 82 Q CB -0.039 28.247 28.738 -0.754 0.000 0.905 82 Q HN 0.294 nan 8.270 nan 0.000 0.420 83 F N -0.056 119.784 119.950 -0.183 0.000 2.660 83 F HA 0.256 4.783 4.527 0.000 0.000 0.302 83 F C 0.481 176.160 175.800 -0.202 0.000 1.103 83 F CA -0.235 57.656 58.000 -0.181 0.000 1.340 83 F CB 0.647 39.507 39.000 -0.232 0.000 1.048 83 F HN -0.189 nan 8.300 nan 0.000 0.551 84 S N 0.668 116.316 115.700 -0.087 0.000 3.628 84 S HA -0.145 4.326 4.470 0.001 0.000 0.373 84 S C -0.039 174.494 174.600 -0.111 0.000 0.968 84 S CA -0.079 58.069 58.200 -0.086 0.000 1.215 84 S CB -1.787 61.386 63.200 -0.044 0.000 0.912 84 S HN 0.100 nan 8.310 nan 0.000 0.495 85 V N 2.027 121.822 119.914 -0.199 0.000 2.389 85 V HA 0.232 4.353 4.120 0.001 0.000 0.264 85 V C 1.045 177.055 176.094 -0.139 0.000 1.049 85 V CA 0.091 62.247 62.300 -0.239 0.000 0.932 85 V CB 1.175 32.690 31.823 -0.513 0.000 1.011 85 V HN 0.445 nan 8.190 nan 0.000 0.475 86 E N 3.075 123.227 120.200 -0.080 0.000 2.676 86 E HA 0.372 4.723 4.350 0.001 0.000 0.222 86 E C 0.258 176.857 176.600 -0.002 0.000 0.968 86 E CA 0.119 56.502 56.400 -0.029 0.000 1.090 86 E CB 1.781 31.470 29.700 -0.018 0.000 1.066 86 E HN 0.673 nan 8.360 nan 0.000 0.496 87 A N 1.086 123.891 122.820 -0.025 0.000 2.371 87 A HA 0.816 5.136 4.320 0.001 0.000 0.311 87 A C -0.576 176.975 177.584 -0.055 0.000 1.068 87 A CA -0.484 51.546 52.037 -0.012 0.000 0.744 87 A CB 1.205 20.204 19.000 -0.003 0.000 1.239 87 A HN 0.052 nan 8.150 nan 0.000 0.435 88 M N 3.465 123.025 119.600 -0.066 0.000 2.457 88 M HA 0.446 4.927 4.480 0.001 0.000 0.300 88 M C -2.587 173.631 176.300 -0.137 0.000 1.141 88 M CA -1.843 53.367 55.300 -0.150 0.000 0.901 88 M CB 3.149 35.606 32.600 -0.238 0.000 1.687 88 M HN 0.497 nan 8.290 nan 0.000 0.449 89 P HA 0.214 nan 4.420 nan 0.000 0.278 89 P C -1.089 175.989 177.300 -0.371 0.000 1.238 89 P CA -0.236 62.644 63.100 -0.366 0.000 0.794 89 P CB 0.796 32.194 31.700 -0.504 0.000 0.955 90 T N 3.161 117.472 114.554 -0.405 0.000 2.792 90 T HA 0.504 4.854 4.350 0.001 0.000 0.280 90 T C -0.541 173.938 174.700 -0.368 0.000 0.990 90 T CA -0.062 61.896 62.100 -0.237 0.000 0.960 90 T CB 0.089 68.904 68.868 -0.089 0.000 0.939 90 T HN 0.106 nan 8.240 nan 0.000 0.439 91 F N 3.064 123.048 119.950 0.057 0.000 2.411 91 F HA 0.611 5.139 4.527 0.000 0.000 0.352 91 F C -0.061 175.760 175.800 0.035 0.000 1.123 91 F CA -1.073 56.918 58.000 -0.015 0.000 1.044 91 F CB 1.036 40.038 39.000 0.003 0.000 1.135 91 F HN 0.273 nan 8.300 nan 0.000 0.461 92 L N 4.163 125.424 121.223 0.064 0.000 2.329 92 L HA 0.648 4.988 4.340 0.001 0.000 0.279 92 L C -1.485 175.278 176.870 -0.178 0.000 1.014 92 L CA -0.355 54.501 54.840 0.027 0.000 0.814 92 L CB 0.848 42.890 42.059 -0.028 0.000 1.257 92 L HN 0.359 nan 8.230 nan 0.000 0.424 93 F N 5.584 125.460 119.950 -0.123 0.000 2.426 93 F HA 0.622 5.150 4.527 0.001 0.000 0.348 93 F C 0.092 175.768 175.800 -0.207 0.000 1.124 93 F CA -0.387 57.495 58.000 -0.195 0.000 1.008 93 F CB 1.539 40.354 39.000 -0.307 0.000 1.139 93 F HN 0.241 nan 8.300 nan 0.000 0.452 94 M N 3.594 123.158 119.600 -0.060 0.000 2.457 94 M HA 0.423 4.904 4.480 0.001 0.000 0.300 94 M C -1.171 175.100 176.300 -0.050 0.000 1.141 94 M CA -0.757 54.512 55.300 -0.053 0.000 0.901 94 M CB 3.084 35.650 32.600 -0.058 0.000 1.687 94 M HN 0.560 nan 8.290 nan 0.000 0.449 95 K N 2.076 122.462 120.400 -0.023 0.000 2.553 95 K HA 0.262 4.583 4.320 0.001 0.000 0.250 95 K C -0.884 175.715 176.600 -0.001 0.000 0.953 95 K CA -0.149 56.127 56.287 -0.019 0.000 0.800 95 K CB 1.359 33.854 32.500 -0.009 0.000 1.243 95 K HN 0.772 nan 8.250 nan 0.000 0.435 96 E N 2.079 122.275 120.200 -0.007 0.000 2.269 96 E HA -0.278 4.072 4.350 0.001 0.000 0.223 96 E C 0.419 177.032 176.600 0.023 0.000 1.244 96 E CA 0.788 57.190 56.400 0.004 0.000 0.713 96 E CB -1.412 28.292 29.700 0.006 0.000 1.178 96 E HN 1.133 nan 8.360 nan 0.000 0.370 97 G N 0.282 109.104 108.800 0.036 0.000 2.159 97 G HA2 -0.327 3.633 3.960 0.001 0.000 0.256 97 G HA3 -0.327 3.633 3.960 0.001 0.000 0.256 97 G C -0.236 174.721 174.900 0.095 0.000 0.977 97 G CA 0.316 45.462 45.100 0.076 0.000 0.652 97 G HN 0.430 nan 8.290 nan 0.000 0.531 98 D N 0.161 120.601 120.400 0.066 0.000 2.391 98 D HA 0.524 5.164 4.640 0.001 0.000 0.245 98 D C 0.404 176.734 176.300 0.050 0.000 1.069 98 D CA -0.435 53.603 54.000 0.063 0.000 0.831 98 D CB 1.696 42.520 40.800 0.039 0.000 1.204 98 D HN 0.150 nan 8.370 nan 0.000 0.503 99 V N 5.986 125.942 119.914 0.070 0.000 2.470 99 V HA 0.113 4.234 4.120 0.001 0.000 0.276 99 V C 1.379 177.471 176.094 -0.004 0.000 1.040 99 V CA 0.034 62.354 62.300 0.034 0.000 1.008 99 V CB 1.029 32.895 31.823 0.072 0.000 0.990 99 V HN 0.500 nan 8.190 nan 0.000 0.477 100 K N 2.134 122.496 120.400 -0.064 0.000 2.276 100 K HA 0.296 4.617 4.320 0.001 0.000 0.198 100 K C 0.236 176.702 176.600 -0.223 0.000 1.052 100 K CA 0.352 56.541 56.287 -0.165 0.000 0.984 100 K CB 0.439 32.736 32.500 -0.339 0.000 0.836 100 K HN 0.704 nan 8.250 nan 0.000 0.490 101 D N -0.578 119.719 120.400 -0.171 0.000 2.710 101 D HA 0.317 4.958 4.640 0.001 0.000 0.276 101 D C -1.260 175.112 176.300 0.119 0.000 1.267 101 D CA -0.415 53.499 54.000 -0.142 0.000 0.772 101 D CB 1.660 42.152 40.800 -0.514 0.000 1.299 101 D HN -0.177 nan 8.370 nan 0.000 0.421 102 R N 0.201 120.777 120.500 0.128 0.000 2.668 102 R HA 0.657 4.998 4.340 0.001 0.000 0.272 102 R C -1.277 175.168 176.300 0.243 0.000 1.019 102 R CA -0.932 55.314 56.100 0.244 0.000 0.894 102 R CB 2.403 32.783 30.300 0.134 0.000 1.228 102 R HN 0.089 nan 8.270 nan 0.000 0.460 103 V N 2.590 122.721 119.914 0.361 0.000 2.487 103 V HA 0.396 4.517 4.120 0.001 0.000 0.298 103 V C -0.490 175.787 176.094 0.305 0.000 1.028 103 V CA -0.815 61.681 62.300 0.327 0.000 0.860 103 V CB 2.026 34.093 31.823 0.407 0.000 0.991 103 V HN 0.448 nan 8.190 nan 0.000 0.427 104 V N 4.294 124.322 119.914 0.191 0.000 2.384 104 V HA 0.953 5.073 4.120 0.001 0.000 0.287 104 V C 0.621 176.793 176.094 0.130 0.000 1.020 104 V CA 0.473 62.848 62.300 0.126 0.000 0.850 104 V CB 0.723 32.589 31.823 0.071 0.000 0.987 104 V HN 1.362 nan 8.190 nan 0.000 0.436 105 G N 4.150 113.024 108.800 0.123 0.000 2.655 105 G HA2 0.254 4.214 3.960 0.001 0.000 0.680 105 G HA3 0.254 4.214 3.960 0.001 0.000 0.680 105 G C -0.019 175.001 174.900 0.199 0.000 1.302 105 G CA -0.303 44.867 45.100 0.117 0.000 0.872 105 G HN 1.631 nan 8.290 nan 0.000 0.540 106 A N 0.121 123.030 122.820 0.149 0.000 3.063 106 A HA 0.587 4.907 4.320 0.001 0.000 0.263 106 A C 0.686 178.341 177.584 0.118 0.000 1.736 106 A CA 0.073 52.206 52.037 0.160 0.000 1.408 106 A CB -0.921 18.144 19.000 0.109 0.000 1.108 106 A HN 0.963 nan 8.150 nan 0.000 0.621 107 I N 1.277 121.922 120.570 0.125 0.000 2.361 107 I HA 0.135 4.306 4.170 0.001 0.000 0.282 107 I C 0.914 177.054 176.117 0.037 0.000 1.075 107 I CA -0.383 60.962 61.300 0.075 0.000 1.205 107 I CB 1.010 39.056 38.000 0.077 0.000 1.406 107 I HN 0.465 nan 8.210 nan 0.000 0.481 108 K N 3.604 124.021 120.400 0.028 0.000 2.032 108 K HA -0.224 4.096 4.320 0.001 0.000 0.209 108 K C 1.808 178.411 176.600 0.004 0.000 1.048 108 K CA 2.088 58.379 56.287 0.007 0.000 0.927 108 K CB -0.003 32.509 32.500 0.020 0.000 0.712 108 K HN 0.660 nan 8.250 nan 0.000 0.441 109 E N 1.343 121.552 120.200 0.015 0.000 2.085 109 E HA -0.239 4.112 4.350 0.001 0.000 0.194 109 E C 1.929 178.535 176.600 0.010 0.000 0.994 109 E CA 1.544 57.952 56.400 0.014 0.000 0.801 109 E CB -0.277 29.431 29.700 0.014 0.000 0.743 109 E HN 0.366 nan 8.360 nan 0.000 0.453 110 E N -0.017 120.191 120.200 0.013 0.000 2.072 110 E HA -0.163 4.188 4.350 0.001 0.000 0.191 110 E C 1.993 178.604 176.600 0.017 0.000 0.985 110 E CA 0.866 57.273 56.400 0.013 0.000 0.801 110 E CB -0.074 29.645 29.700 0.031 0.000 0.750 110 E HN 0.306 nan 8.360 nan 0.000 0.452 111 L N 0.879 122.107 121.223 0.008 0.000 2.017 111 L HA -0.163 4.177 4.340 0.001 0.000 0.208 111 L C 2.287 179.187 176.870 0.051 0.000 1.073 111 L CA 2.168 57.012 54.840 0.008 0.000 0.745 111 L CB -0.883 41.039 42.059 -0.228 0.000 0.894 111 L HN 0.104 nan 8.230 nan 0.000 0.432 112 T N -0.043 114.523 114.554 0.020 0.000 2.684 112 T HA -0.182 4.169 4.350 0.001 0.000 0.267 112 T C 1.902 176.617 174.700 0.026 0.000 1.036 112 T CA 1.458 63.583 62.100 0.042 0.000 1.148 112 T CB -0.633 68.263 68.868 0.047 0.000 0.863 112 T HN 0.535 nan 8.240 nan 0.000 0.436 113 A N 1.682 124.506 122.820 0.006 0.000 1.902 113 A HA -0.116 4.205 4.320 0.001 0.000 0.217 113 A C 2.273 179.810 177.584 -0.078 0.000 1.181 113 A CA 1.541 53.562 52.037 -0.025 0.000 0.623 113 A CB -0.400 18.581 19.000 -0.031 0.000 0.818 113 A HN 0.453 nan 8.150 nan 0.000 0.443 114 K N -0.524 119.826 120.400 -0.084 0.000 2.155 114 K HA 0.008 4.329 4.320 0.001 0.000 0.203 114 K C 1.865 178.397 176.600 -0.114 0.000 1.052 114 K CA 1.082 57.247 56.287 -0.202 0.000 0.948 114 K CB -0.257 32.026 32.500 -0.362 0.000 0.728 114 K HN 0.296 nan 8.250 nan 0.000 0.448 115 V N 1.003 120.962 119.914 0.076 0.000 2.261 115 V HA -0.213 3.908 4.120 0.001 0.000 0.246 115 V C 2.386 178.269 176.094 -0.351 0.000 1.047 115 V CA 2.298 64.601 62.300 0.004 0.000 1.015 115 V CB -0.968 30.791 31.823 -0.107 0.000 0.642 115 V HN 0.498 nan 8.190 nan 0.000 0.446 116 G N -0.298 108.316 108.800 -0.310 0.000 2.440 116 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 116 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 116 G C 1.577 176.421 174.900 -0.093 0.000 1.154 116 G CA 1.253 46.266 45.100 -0.146 0.000 0.767 116 G HN 0.435 nan 8.290 nan 0.000 0.552 117 L N -0.077 121.047 121.223 -0.165 0.000 1.976 117 L HA -0.019 4.321 4.340 0.001 0.000 0.209 117 L C 2.548 179.257 176.870 -0.270 0.000 1.071 117 L CA 1.965 56.651 54.840 -0.257 0.000 0.746 117 L CB -0.752 41.051 42.059 -0.426 0.000 0.890 117 L HN 0.271 nan 8.230 nan 0.000 0.432 118 H N -0.695 118.302 119.070 -0.121 0.000 2.502 118 H HA 0.184 4.741 4.556 0.001 0.000 0.283 118 H C 2.070 177.377 175.328 -0.034 0.000 1.015 118 H CA 0.949 56.951 56.048 -0.077 0.000 1.298 118 H CB -0.082 29.633 29.762 -0.078 0.000 1.411 118 H HN 0.524 nan 8.280 nan 0.000 0.556 119 A N 0.936 123.776 122.820 0.032 0.000 2.014 119 A HA 0.071 4.391 4.320 0.001 0.000 0.218 119 A C 2.479 180.118 177.584 0.091 0.000 1.163 119 A CA 1.107 53.172 52.037 0.045 0.000 0.652 119 A CB -0.334 18.654 19.000 -0.020 0.000 0.808 119 A HN 0.362 nan 8.150 nan 0.000 0.449 120 A N -0.556 122.305 122.820 0.068 0.000 2.208 120 A HA 0.561 4.881 4.320 0.001 0.000 0.209 120 A C 1.297 178.905 177.584 0.040 0.000 1.161 120 A CA 0.640 52.716 52.037 0.066 0.000 0.782 120 A CB -0.708 18.324 19.000 0.053 0.000 0.816 120 A HN 0.882 nan 8.150 nan 0.000 0.477 121 A N -0.947 121.895 122.820 0.037 0.000 2.454 121 A HA 0.570 4.891 4.320 0.001 0.000 0.260 121 A C 0.276 177.881 177.584 0.035 0.000 1.106 121 A CA 0.949 53.006 52.037 0.033 0.000 0.780 121 A CB -0.111 18.920 19.000 0.052 0.000 1.044 121 A HN 1.592 nan 8.150 nan 0.000 0.498 122 Q N 0.000 119.816 119.800 0.027 0.000 2.315 122 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 122 Q CA 0.000 nan 55.803 nan 0.000 1.022 122 Q CB 0.000 nan 28.738 nan 0.000 1.108 122 Q HN 0.000 nan 8.270 nan 0.000 0.481