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 2br4_1_D DATA FIRST_RESID 2 DATA SEQUENCE NDYSRQNFLD LNLFRGLGED PAYHPPVLTD RPRDWPLDRW AEAPRDLGYS DATA SEQUENCE DFSPYQWRGL RMLKDPDTQA VYHDMLWELR PRTIVELGVY NGGSLAWFRD DATA SEQUENCE LTKIMGIDCQ VIGIDRDLSR CQIPASDMEN ITLHQGDCSD LTTFEHLREM DATA SEQUENCE AHPLIFIDDA HANTFNIMKW AVDHLLEEGD YFIIEDMIPY WYRYAPQLFS DATA SEQUENCE EYLGAFRDVL SMDMLYANAS SQLDRGVLRR 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.502 175.510 -0.014 0.000 1.280 2 N CA 0.000 53.081 53.050 0.051 0.000 0.885 2 N CB 0.000 38.492 38.487 0.008 0.000 1.341 3 D N 0.322 120.771 120.400 0.082 0.000 2.264 3 D HA -0.122 4.518 4.640 0.000 0.000 0.208 3 D C 1.809 178.161 176.300 0.087 0.000 0.966 3 D CA 1.246 55.283 54.000 0.062 0.000 0.864 3 D CB 0.268 41.125 40.800 0.095 0.000 0.933 3 D HN 0.692 nan 8.370 nan 0.000 0.499 4 Y N -1.369 118.996 120.300 0.108 0.000 2.286 4 Y HA 0.132 4.682 4.550 0.000 0.000 0.293 4 Y C 2.270 178.260 175.900 0.150 0.000 1.124 4 Y CA 0.945 59.178 58.100 0.221 0.000 1.178 4 Y CB -0.819 37.780 38.460 0.231 0.000 1.010 4 Y HN -0.166 nan 8.280 nan 0.000 0.536 5 S N 0.250 115.454 115.700 -0.827 0.000 2.423 5 S HA -0.087 4.383 4.470 0.000 0.000 0.231 5 S C 1.979 176.426 174.600 -0.255 0.000 1.014 5 S CA 1.283 59.098 58.200 -0.641 0.000 0.965 5 S CB -0.180 62.611 63.200 -0.682 0.000 0.785 5 S HN 0.593 nan 8.310 nan 0.000 0.495 6 R N 0.115 120.488 120.500 -0.212 0.000 2.105 6 R HA 0.197 4.537 4.340 0.000 0.000 0.214 6 R C 0.820 177.006 176.300 -0.190 0.000 1.091 6 R CA 0.167 56.173 56.100 -0.157 0.000 1.007 6 R CB -0.115 30.110 30.300 -0.125 0.000 0.912 6 R HN 0.417 nan 8.270 nan 0.000 0.450 7 Q N 1.717 121.361 119.800 -0.261 0.000 2.369 7 Q HA -0.078 4.262 4.340 0.000 0.000 0.295 7 Q C -0.486 175.140 176.000 -0.623 0.000 1.075 7 Q CA 0.567 56.094 55.803 -0.459 0.000 0.941 7 Q CB 0.416 28.771 28.738 -0.639 0.000 1.260 7 Q HN 0.006 nan 8.270 nan 0.000 0.417 8 N N 1.920 120.318 118.700 -0.502 0.000 2.417 8 N HA 0.260 5.000 4.740 0.000 0.000 0.274 8 N C -1.784 173.511 175.510 -0.360 0.000 0.987 8 N CA -0.345 52.487 53.050 -0.363 0.000 0.912 8 N CB 0.530 38.931 38.487 -0.142 0.000 1.177 8 N HN 0.234 nan 8.380 nan 0.000 0.490 9 F N 3.059 123.032 119.950 0.038 0.000 2.404 9 F HA 0.391 4.918 4.527 0.000 0.000 0.345 9 F C 0.744 176.565 175.800 0.035 0.000 1.110 9 F CA -0.911 57.115 58.000 0.045 0.000 1.130 9 F CB 0.739 39.768 39.000 0.048 0.000 1.129 9 F HN 0.163 nan 8.300 nan 0.000 0.500 10 L N 2.169 123.513 121.223 0.203 0.000 2.473 10 L HA 0.069 4.409 4.340 0.000 0.000 0.268 10 L C 0.540 177.465 176.870 0.093 0.000 1.215 10 L CA -0.164 54.746 54.840 0.116 0.000 0.823 10 L CB 0.191 42.316 42.059 0.109 0.000 1.099 10 L HN 0.551 nan 8.230 nan 0.000 0.483 11 D N 1.205 121.606 120.400 0.001 0.000 2.343 11 D HA 0.062 4.702 4.640 0.000 0.000 0.255 11 D C 0.610 176.846 176.300 -0.108 0.000 1.187 11 D CA -0.289 53.690 54.000 -0.035 0.000 0.875 11 D CB 1.446 42.211 40.800 -0.058 0.000 1.136 11 D HN 0.262 nan 8.370 nan 0.000 0.469 12 L N 4.348 125.561 121.223 -0.017 0.000 2.465 12 L HA -0.059 4.281 4.340 0.000 0.000 0.224 12 L C 1.945 178.800 176.870 -0.026 0.000 1.145 12 L CA 0.616 55.488 54.840 0.053 0.000 0.834 12 L CB -0.763 41.375 42.059 0.133 0.000 0.944 12 L HN 0.404 nan 8.230 nan 0.000 0.451 13 N N -0.513 118.142 118.700 -0.074 0.000 2.364 13 N HA -0.135 4.605 4.740 0.000 0.000 0.183 13 N C 1.722 177.151 175.510 -0.135 0.000 1.022 13 N CA 0.620 53.627 53.050 -0.072 0.000 0.883 13 N CB -0.105 38.350 38.487 -0.054 0.000 0.965 13 N HN 0.173 nan 8.380 nan 0.000 0.438 14 L N 0.089 121.132 121.223 -0.300 0.000 2.129 14 L HA -0.107 4.233 4.340 0.000 0.000 0.212 14 L C 1.253 177.911 176.870 -0.355 0.000 1.087 14 L CA 1.375 55.961 54.840 -0.423 0.000 0.757 14 L CB -1.063 40.567 42.059 -0.716 0.000 0.896 14 L HN 0.158 nan 8.230 nan 0.000 0.434 15 F N -1.456 118.509 119.950 0.025 0.000 2.660 15 F HA 0.196 4.723 4.527 0.000 0.000 0.302 15 F C 1.135 176.926 175.800 -0.014 0.000 1.103 15 F CA -0.930 57.083 58.000 0.022 0.000 1.340 15 F CB -0.095 38.919 39.000 0.024 0.000 1.048 15 F HN -0.161 nan 8.300 nan 0.000 0.551 16 R N 1.833 122.383 120.500 0.084 0.000 2.561 16 R HA 0.138 4.478 4.340 0.000 0.000 0.347 16 R C 1.043 177.371 176.300 0.047 0.000 0.916 16 R CA 0.082 56.201 56.100 0.032 0.000 1.063 16 R CB -0.810 29.489 30.300 -0.001 0.000 0.916 16 R HN 0.513 nan 8.270 nan 0.000 0.410 17 G N 3.394 112.230 108.800 0.061 0.000 2.184 17 G HA2 -0.306 3.654 3.960 0.000 0.000 0.264 17 G HA3 -0.306 3.654 3.960 0.000 0.000 0.264 17 G C 0.449 175.499 174.900 0.250 0.000 0.975 17 G CA 0.597 45.799 45.100 0.170 0.000 0.642 17 G HN 0.536 nan 8.290 nan 0.000 0.536 18 L N -0.670 120.664 121.223 0.185 0.000 2.453 18 L HA 0.608 4.948 4.340 0.000 0.000 0.190 18 L C 1.605 178.677 176.870 0.337 0.000 1.093 18 L CA 0.777 55.639 54.840 0.037 0.000 0.834 18 L CB -0.233 41.718 42.059 -0.180 0.000 1.090 18 L HN 1.203 nan 8.230 nan 0.000 0.489 19 G N 0.594 109.595 108.800 0.335 0.000 2.408 19 G HA2 -0.133 3.827 3.960 0.000 0.000 0.682 19 G HA3 -0.133 3.827 3.960 0.000 0.000 0.682 19 G C -0.128 174.796 174.900 0.040 0.000 1.303 19 G CA -0.058 45.201 45.100 0.265 0.000 0.966 19 G HN 0.345 nan 8.290 nan 0.000 0.560 20 E N -0.782 119.266 120.200 -0.254 0.000 2.442 20 E HA 0.232 4.582 4.350 0.000 0.000 0.195 20 E C -0.031 176.457 176.600 -0.186 0.000 1.030 20 E CA 0.438 56.406 56.400 -0.720 0.000 0.869 20 E CB 0.779 30.043 29.700 -0.726 0.000 0.857 20 E HN 0.322 nan 8.360 nan 0.000 0.505 21 D N 0.520 120.948 120.400 0.047 0.000 2.763 21 D HA 0.106 4.746 4.640 0.000 0.000 0.235 21 D C -2.021 174.361 176.300 0.136 0.000 1.334 21 D CA -2.122 51.942 54.000 0.107 0.000 0.950 21 D CB 2.029 42.899 40.800 0.117 0.000 1.433 21 D HN -0.244 nan 8.370 nan 0.000 0.580 22 P HA 0.048 nan 4.420 nan 0.000 0.223 22 P C 0.348 177.557 177.300 -0.152 0.000 1.151 22 P CA 0.193 63.145 63.100 -0.247 0.000 0.787 22 P CB 0.303 31.705 31.700 -0.497 0.000 0.788 23 A N 0.017 122.784 122.820 -0.088 0.000 2.371 23 A HA 0.197 4.517 4.320 0.000 0.000 0.257 23 A C -0.596 176.878 177.584 -0.183 0.000 1.089 23 A CA -0.349 51.606 52.037 -0.136 0.000 0.794 23 A CB -0.402 18.492 19.000 -0.176 0.000 1.029 23 A HN 0.138 nan 8.150 nan 0.000 0.488 24 Y N 1.426 121.538 120.300 -0.313 0.000 2.336 24 Y HA 0.454 5.004 4.550 0.000 0.000 0.335 24 Y C -0.270 175.351 175.900 -0.465 0.000 1.046 24 Y CA 0.159 58.097 58.100 -0.270 0.000 1.198 24 Y CB 0.403 38.770 38.460 -0.155 0.000 1.182 24 Y HN 0.720 nan 8.280 nan 0.000 0.502 25 H N 6.527 125.159 119.070 -0.730 0.000 2.589 25 H HA 0.367 4.923 4.556 0.000 0.000 0.335 25 H C -2.313 172.419 175.328 -0.993 0.000 1.019 25 H CA -2.102 53.539 56.048 -0.678 0.000 1.213 25 H CB 1.070 30.637 29.762 -0.325 0.000 1.472 25 H HN 0.574 nan 8.280 nan 0.000 0.508 26 P HA -0.005 nan 4.420 nan 0.000 0.267 26 P C -2.338 174.758 177.300 -0.341 0.000 1.201 26 P CA -0.902 61.908 63.100 -0.482 0.000 0.775 26 P CB 0.001 31.588 31.700 -0.189 0.000 0.854 27 P HA 0.088 nan 4.420 nan 0.000 0.268 27 P C -0.827 176.332 177.300 -0.235 0.000 1.208 27 P CA 0.260 63.104 63.100 -0.427 0.000 0.777 27 P CB 0.389 31.461 31.700 -1.046 0.000 0.875 28 V N 3.211 123.048 119.914 -0.129 0.000 2.656 28 V HA 0.225 4.345 4.120 0.000 0.000 0.307 28 V C -0.212 175.897 176.094 0.027 0.000 1.051 28 V CA -0.827 61.445 62.300 -0.047 0.000 0.893 28 V CB 1.949 33.740 31.823 -0.053 0.000 0.999 28 V HN 0.326 nan 8.190 nan 0.000 0.426 29 L N 4.199 125.450 121.223 0.048 0.000 2.371 29 L HA 0.524 4.864 4.340 0.000 0.000 0.272 29 L C 1.238 178.138 176.870 0.051 0.000 1.124 29 L CA 0.831 55.717 54.840 0.077 0.000 0.816 29 L CB 1.325 43.437 42.059 0.088 0.000 1.129 29 L HN 0.991 nan 8.230 nan 0.000 0.448 30 T N -2.490 112.095 114.554 0.053 0.000 3.182 30 T HA 0.042 4.392 4.350 0.000 0.000 0.244 30 T C 0.779 175.504 174.700 0.042 0.000 0.981 30 T CA 0.335 62.457 62.100 0.037 0.000 1.182 30 T CB -0.064 68.821 68.868 0.028 0.000 1.043 30 T HN 0.504 nan 8.240 nan 0.000 0.424 31 D N 2.554 122.983 120.400 0.048 0.000 2.325 31 D HA 0.152 4.792 4.640 0.000 0.000 0.234 31 D C 0.324 176.680 176.300 0.094 0.000 1.122 31 D CA -0.339 53.694 54.000 0.055 0.000 0.850 31 D CB -0.024 40.800 40.800 0.039 0.000 0.921 31 D HN 0.556 nan 8.370 nan 0.000 0.513 32 R N -0.913 119.655 120.500 0.113 0.000 2.712 32 R HA 0.549 4.889 4.340 0.000 0.000 0.272 32 R C -2.924 173.468 176.300 0.152 0.000 1.032 32 R CA -1.379 54.837 56.100 0.193 0.000 0.874 32 R CB -0.523 29.963 30.300 0.310 0.000 1.256 32 R HN -0.195 nan 8.270 nan 0.000 0.468 33 P HA 0.253 nan 4.420 nan 0.000 0.276 33 P C -0.310 177.082 177.300 0.152 0.000 1.244 33 P CA -0.667 62.493 63.100 0.099 0.000 0.801 33 P CB 1.238 32.945 31.700 0.013 0.000 1.006 34 R N 0.311 120.873 120.500 0.103 0.000 2.092 34 R HA -0.029 4.311 4.340 0.000 0.000 0.231 34 R C -0.296 176.084 176.300 0.132 0.000 1.119 34 R CA 1.161 57.326 56.100 0.108 0.000 0.970 34 R CB 0.000 30.342 30.300 0.070 0.000 0.864 34 R HN 0.562 nan 8.270 nan 0.000 0.440 35 D N -0.074 120.394 120.400 0.112 0.000 2.454 35 D HA 0.036 4.676 4.640 0.000 0.000 0.225 35 D C -0.637 175.747 176.300 0.139 0.000 1.081 35 D CA -0.176 53.896 54.000 0.119 0.000 0.864 35 D CB 0.327 41.164 40.800 0.063 0.000 1.040 35 D HN 0.122 nan 8.370 nan 0.000 0.517 36 W N 4.532 125.851 121.300 0.032 0.000 2.238 36 W HA 0.172 4.832 4.660 0.000 0.000 0.321 36 W C -2.085 174.466 176.519 0.053 0.000 1.293 36 W CA -1.475 55.888 57.345 0.030 0.000 1.204 36 W CB 0.916 30.385 29.460 0.014 0.000 1.167 36 W HN 0.183 nan 8.180 nan 0.000 0.553 37 P HA 0.005 nan 4.420 nan 0.000 0.276 37 P C 0.433 177.844 177.300 0.186 0.000 1.230 37 P CA -0.193 62.892 63.100 -0.025 0.000 0.776 37 P CB 1.330 32.934 31.700 -0.160 0.000 0.888 38 L N 2.306 123.645 121.223 0.193 0.000 2.291 38 L HA -0.097 4.243 4.340 0.000 0.000 0.214 38 L C 1.970 178.984 176.870 0.240 0.000 1.120 38 L CA 1.579 56.577 54.840 0.264 0.000 0.799 38 L CB -1.104 41.051 42.059 0.161 0.000 0.925 38 L HN 0.489 nan 8.230 nan 0.000 0.446 39 D N -0.681 119.811 120.400 0.154 0.000 2.348 39 D HA -0.175 4.465 4.640 0.000 0.000 0.216 39 D C 0.926 177.330 176.300 0.174 0.000 0.970 39 D CA 0.548 54.626 54.000 0.129 0.000 0.889 39 D CB -0.009 40.831 40.800 0.067 0.000 0.912 39 D HN 0.333 nan 8.370 nan 0.000 0.524 40 R N -0.408 120.234 120.500 0.236 0.000 2.700 40 R HA 0.115 4.455 4.340 0.000 0.000 0.377 40 R C 0.674 177.286 176.300 0.520 0.000 1.130 40 R CA -0.539 55.753 56.100 0.320 0.000 1.055 40 R CB -0.534 29.913 30.300 0.244 0.000 1.387 40 R HN 0.188 nan 8.270 nan 0.000 0.580 41 W N 1.769 123.219 121.300 0.251 0.000 2.335 41 W HA -0.234 4.426 4.660 0.000 0.000 0.311 41 W C 1.856 178.407 176.519 0.054 0.000 1.213 41 W CA 2.277 59.730 57.345 0.180 0.000 1.274 41 W CB 0.041 29.563 29.460 0.103 0.000 1.148 41 W HN 0.221 nan 8.180 nan 0.000 0.498 42 A N 0.084 123.029 122.820 0.208 0.000 2.067 42 A HA -0.155 4.165 4.320 0.000 0.000 0.219 42 A C 1.739 179.217 177.584 -0.177 0.000 1.158 42 A CA 1.660 53.644 52.037 -0.089 0.000 0.661 42 A CB -0.681 18.438 19.000 0.197 0.000 0.801 42 A HN 0.539 nan 8.150 nan 0.000 0.452 43 E N 0.330 120.518 120.200 -0.020 0.000 2.208 43 E HA 0.126 4.477 4.350 0.000 0.000 0.193 43 E C 1.017 177.502 176.600 -0.191 0.000 0.988 43 E CA 0.175 56.588 56.400 0.021 0.000 0.828 43 E CB -0.264 29.580 29.700 0.240 0.000 0.763 43 E HN 0.606 nan 8.360 nan 0.000 0.478 44 A N 3.341 125.799 122.820 -0.604 0.000 2.531 44 A HA 0.094 4.414 4.320 0.000 0.000 0.236 44 A C -1.991 175.078 177.584 -0.859 0.000 1.062 44 A CA -1.007 50.161 52.037 -1.449 0.000 0.760 44 A CB -0.260 17.623 19.000 -1.861 0.000 0.995 44 A HN -0.031 nan 8.150 nan 0.000 0.501 45 P HA 0.221 nan 4.420 nan 0.000 0.271 45 P C 0.014 177.082 177.300 -0.388 0.000 1.218 45 P CA -0.171 62.675 63.100 -0.423 0.000 0.780 45 P CB 0.793 32.312 31.700 -0.301 0.000 0.901 46 R N 0.477 120.807 120.500 -0.285 0.000 2.265 46 R HA 0.056 4.396 4.340 0.000 0.000 0.194 46 R C 0.892 177.078 176.300 -0.190 0.000 0.931 46 R CA 0.066 56.019 56.100 -0.245 0.000 1.032 46 R CB 0.050 30.226 30.300 -0.208 0.000 0.980 46 R HN 0.662 nan 8.270 nan 0.000 0.497 47 D N 0.592 120.887 120.400 -0.175 0.000 2.360 47 D HA -0.084 4.556 4.640 0.000 0.000 0.242 47 D C 1.131 177.314 176.300 -0.196 0.000 1.184 47 D CA -0.312 53.593 54.000 -0.160 0.000 0.930 47 D CB 1.262 41.982 40.800 -0.133 0.000 1.161 47 D HN -0.176 nan 8.370 nan 0.000 0.447 48 L N 1.380 122.459 121.223 -0.239 0.000 2.012 48 L HA 0.011 4.351 4.340 0.000 0.000 0.210 48 L C 2.025 178.639 176.870 -0.425 0.000 1.073 48 L CA 2.826 57.435 54.840 -0.384 0.000 0.748 48 L CB -0.979 40.761 42.059 -0.532 0.000 0.891 48 L HN 0.973 nan 8.230 nan 0.000 0.431 49 G N -3.308 105.302 108.800 -0.316 0.000 2.179 49 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 49 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 49 G C 0.080 174.961 174.900 -0.031 0.000 0.990 49 G CA 0.199 45.213 45.100 -0.144 0.000 0.646 49 G HN 0.643 nan 8.290 nan 0.000 0.517 50 Y N -1.066 119.221 120.300 -0.022 0.000 2.677 50 Y HA 0.826 5.376 4.550 0.000 0.000 0.334 50 Y C 0.262 176.155 175.900 -0.011 0.000 1.154 50 Y CA -1.233 56.856 58.100 -0.018 0.000 1.070 50 Y CB 0.585 39.030 38.460 -0.024 0.000 1.294 50 Y HN 0.439 nan 8.280 nan 0.000 0.475 51 S N 1.270 117.115 115.700 0.242 0.000 2.537 51 S HA 0.010 4.480 4.470 0.000 0.000 0.286 51 S C 0.670 175.399 174.600 0.214 0.000 1.299 51 S CA 0.078 58.381 58.200 0.172 0.000 1.067 51 S CB -0.071 63.229 63.200 0.168 0.000 0.864 51 S HN 0.839 nan 8.310 nan 0.000 0.494 52 D N 5.335 125.806 120.400 0.118 0.000 2.336 52 D HA -0.103 4.537 4.640 0.000 0.000 0.229 52 D C 1.225 177.604 176.300 0.132 0.000 1.061 52 D CA -0.024 54.030 54.000 0.090 0.000 0.875 52 D CB -0.441 40.382 40.800 0.039 0.000 0.904 52 D HN 0.669 nan 8.370 nan 0.000 0.525 53 F N 1.613 121.586 119.950 0.038 0.000 2.005 53 F HA -0.221 4.306 4.527 0.000 0.000 0.297 53 F C 1.040 176.872 175.800 0.053 0.000 1.175 53 F CA 1.761 59.786 58.000 0.041 0.000 1.192 53 F CB -0.005 39.015 39.000 0.034 0.000 0.953 53 F HN 0.067 nan 8.300 nan 0.000 0.504 54 S N 0.625 115.931 115.700 -0.658 0.000 2.605 54 S HA 0.332 4.802 4.470 0.000 0.000 0.142 54 S C -1.907 172.477 174.600 -0.360 0.000 1.452 54 S CA -0.864 56.928 58.200 -0.681 0.000 1.240 54 S CB 0.501 62.940 63.200 -1.268 0.000 1.538 54 S HN 0.274 nan 8.310 nan 0.000 0.394 55 P HA 0.157 nan 4.420 nan 0.000 0.249 55 P C -0.186 176.935 177.300 -0.299 0.000 1.229 55 P CA -0.024 62.870 63.100 -0.343 0.000 0.788 55 P CB -0.162 31.306 31.700 -0.386 0.000 1.072 56 Y N 1.333 121.621 120.300 -0.019 0.000 2.316 56 Y HA 0.349 4.899 4.550 0.000 0.000 0.324 56 Y C 1.336 177.167 175.900 -0.115 0.000 1.267 56 Y CA -0.345 57.721 58.100 -0.058 0.000 1.311 56 Y CB 0.821 39.221 38.460 -0.101 0.000 1.267 56 Y HN -0.011 nan 8.280 nan 0.000 0.516 57 Q N 0.617 120.406 119.800 -0.019 0.000 2.590 57 Q HA 0.417 4.757 4.340 0.000 0.000 0.295 57 Q C -1.998 173.992 176.000 -0.016 0.000 0.973 57 Q CA -1.097 54.578 55.803 -0.212 0.000 0.768 57 Q CB 2.538 30.766 28.738 -0.850 0.000 1.479 57 Q HN 0.786 nan 8.270 nan 0.000 0.419 58 W N 1.992 123.151 121.300 -0.235 0.000 2.728 58 W HA 0.400 5.060 4.660 0.000 0.000 0.324 58 W C -0.797 175.654 176.519 -0.112 0.000 1.012 58 W CA -0.524 56.749 57.345 -0.120 0.000 1.279 58 W CB 1.124 30.567 29.460 -0.028 0.000 1.289 58 W HN 0.930 nan 8.180 nan 0.000 0.418 59 R N 3.362 123.564 120.500 -0.498 0.000 3.423 59 R HA -0.195 4.145 4.340 0.000 0.000 0.271 59 R C 0.878 177.052 176.300 -0.211 0.000 1.093 59 R CA 1.315 57.177 56.100 -0.397 0.000 0.730 59 R CB -1.805 28.253 30.300 -0.403 0.000 1.190 59 R HN 1.135 nan 8.270 nan 0.000 0.437 60 G N -0.608 108.048 108.800 -0.240 0.000 2.159 60 G HA2 -0.319 3.641 3.960 0.000 0.000 0.256 60 G HA3 -0.319 3.641 3.960 0.000 0.000 0.256 60 G C 0.097 174.933 174.900 -0.106 0.000 0.977 60 G CA 0.447 45.460 45.100 -0.145 0.000 0.652 60 G HN 0.282 nan 8.290 nan 0.000 0.531 61 L N 0.612 121.754 121.223 -0.134 0.000 2.313 61 L HA 0.547 4.887 4.340 0.000 0.000 0.283 61 L C 1.083 177.906 176.870 -0.079 0.000 1.013 61 L CA -1.146 53.665 54.840 -0.049 0.000 0.816 61 L CB 1.397 43.468 42.059 0.020 0.000 1.236 61 L HN 0.042 nan 8.230 nan 0.000 0.419 62 R N 3.221 123.723 120.500 0.003 0.000 2.585 62 R HA 0.235 4.575 4.340 0.000 0.000 0.275 62 R C -0.535 175.786 176.300 0.035 0.000 1.018 62 R CA 0.452 56.584 56.100 0.054 0.000 1.072 62 R CB 0.467 30.856 30.300 0.149 0.000 0.953 62 R HN 0.522 nan 8.270 nan 0.000 0.419 63 M N 4.604 124.210 119.600 0.011 0.000 2.093 63 M HA 0.156 4.636 4.480 0.000 0.000 0.297 63 M C 0.359 176.632 176.300 -0.045 0.000 0.938 63 M CA -0.332 54.938 55.300 -0.050 0.000 0.920 63 M CB 1.866 34.379 32.600 -0.145 0.000 1.517 63 M HN 0.559 nan 8.290 nan 0.000 0.427 64 L N 1.791 122.987 121.223 -0.044 0.000 2.599 64 L HA 0.067 4.407 4.340 0.000 0.000 0.230 64 L C 0.692 177.505 176.870 -0.095 0.000 1.141 64 L CA 0.491 55.298 54.840 -0.054 0.000 0.877 64 L CB -0.372 41.671 42.059 -0.026 0.000 1.009 64 L HN 0.477 nan 8.230 nan 0.000 0.447 65 K N 2.093 122.379 120.400 -0.190 0.000 2.312 65 K HA 0.152 4.472 4.320 0.000 0.000 0.287 65 K C -0.475 175.912 176.600 -0.355 0.000 1.062 65 K CA -0.318 55.807 56.287 -0.270 0.000 0.934 65 K CB 0.945 33.173 32.500 -0.453 0.000 1.027 65 K HN 0.071 nan 8.250 nan 0.000 0.478 66 D N 2.609 122.815 120.400 -0.322 0.000 2.383 66 D HA 0.131 4.771 4.640 0.000 0.000 0.248 66 D C -1.922 174.035 176.300 -0.573 0.000 1.170 66 D CA -1.893 51.764 54.000 -0.572 0.000 0.977 66 D CB 0.415 41.010 40.800 -0.342 0.000 1.120 66 D HN 0.041 nan 8.370 nan 0.000 0.481 67 P HA -0.151 nan 4.420 nan 0.000 0.216 67 P C 0.543 177.700 177.300 -0.239 0.000 1.153 67 P CA 1.295 64.144 63.100 -0.418 0.000 0.858 67 P CB 0.046 31.541 31.700 -0.341 0.000 0.789 68 D N -1.399 118.884 120.400 -0.195 0.000 2.178 68 D HA -0.088 4.552 4.640 0.000 0.000 0.202 68 D C 1.604 177.838 176.300 -0.110 0.000 0.974 68 D CA 1.322 55.253 54.000 -0.114 0.000 0.841 68 D CB -0.660 40.090 40.800 -0.083 0.000 0.953 68 D HN 0.204 nan 8.370 nan 0.000 0.478 69 T N 1.346 115.812 114.554 -0.147 0.000 2.904 69 T HA -0.113 4.237 4.350 0.000 0.000 0.267 69 T C 2.023 176.674 174.700 -0.081 0.000 1.059 69 T CA 0.823 62.844 62.100 -0.132 0.000 1.137 69 T CB -0.047 68.752 68.868 -0.116 0.000 0.879 69 T HN 0.203 nan 8.240 nan 0.000 0.467 70 Q N 0.629 120.326 119.800 -0.170 0.000 2.170 70 Q HA 0.023 4.363 4.340 0.000 0.000 0.203 70 Q C 2.671 178.782 176.000 0.184 0.000 0.976 70 Q CA 1.313 57.051 55.803 -0.108 0.000 0.858 70 Q CB -0.256 28.282 28.738 -0.333 0.000 0.907 70 Q HN 0.546 nan 8.270 nan 0.000 0.433 71 A N 0.281 123.133 122.820 0.054 0.000 1.873 71 A HA -0.116 4.204 4.320 0.000 0.000 0.215 71 A C 2.330 179.971 177.584 0.095 0.000 1.186 71 A CA 1.102 53.180 52.037 0.069 0.000 0.616 71 A CB -0.698 18.303 19.000 0.001 0.000 0.823 71 A HN 0.192 nan 8.150 nan 0.000 0.442 72 V N -1.293 118.628 119.914 0.012 0.000 2.252 72 V HA -0.341 3.779 4.120 0.000 0.000 0.249 72 V C 2.368 178.362 176.094 -0.166 0.000 1.056 72 V CA 2.267 64.509 62.300 -0.097 0.000 1.022 72 V CB -1.071 30.623 31.823 -0.215 0.000 0.641 72 V HN 0.697 nan 8.190 nan 0.000 0.445 73 Y N -0.874 119.439 120.300 0.021 0.000 2.293 73 Y HA -0.233 4.317 4.550 0.000 0.000 0.291 73 Y C 2.749 178.696 175.900 0.078 0.000 1.137 73 Y CA 1.711 59.858 58.100 0.079 0.000 1.202 73 Y CB -0.274 38.411 38.460 0.375 0.000 0.990 73 Y HN 0.368 nan 8.280 nan 0.000 0.537 74 H N 0.725 119.928 119.070 0.223 0.000 2.319 74 H HA -0.173 4.384 4.556 0.000 0.000 0.299 74 H C 1.225 176.606 175.328 0.087 0.000 1.092 74 H CA 2.094 58.192 56.048 0.083 0.000 1.302 74 H CB -0.141 29.658 29.762 0.062 0.000 1.373 74 H HN 0.323 nan 8.280 nan 0.000 0.497 75 D N 0.426 120.993 120.400 0.280 0.000 2.117 75 D HA -0.148 4.492 4.640 0.000 0.000 0.198 75 D C 2.515 178.899 176.300 0.140 0.000 0.982 75 D CA 0.895 55.065 54.000 0.283 0.000 0.828 75 D CB -0.387 40.603 40.800 0.318 0.000 0.967 75 D HN 0.412 nan 8.370 nan 0.000 0.464 76 M N -0.120 119.369 119.600 -0.185 0.000 2.117 76 M HA -0.170 4.310 4.480 0.000 0.000 0.262 76 M C 1.622 177.864 176.300 -0.096 0.000 1.065 76 M CA 1.069 56.173 55.300 -0.327 0.000 1.114 76 M CB 0.060 32.273 32.600 -0.644 0.000 1.361 76 M HN -0.035 nan 8.290 nan 0.000 0.408 77 L N -0.272 120.916 121.223 -0.059 0.000 2.046 77 L HA -0.249 4.091 4.340 0.000 0.000 0.208 77 L C 2.217 179.082 176.870 -0.008 0.000 1.077 77 L CA 1.901 56.705 54.840 -0.060 0.000 0.747 77 L CB -1.401 40.593 42.059 -0.109 0.000 0.896 77 L HN 0.583 nan 8.230 nan 0.000 0.432 78 W N 0.587 121.777 121.300 -0.184 0.000 2.363 78 W HA -0.234 4.426 4.660 0.000 0.000 0.296 78 W C 2.345 178.853 176.519 -0.019 0.000 1.212 78 W CA 1.879 59.153 57.345 -0.119 0.000 1.260 78 W CB 0.206 29.615 29.460 -0.085 0.000 1.131 78 W HN 0.396 nan 8.180 nan 0.000 0.530 79 E N 0.040 120.280 120.200 0.067 0.000 2.060 79 E HA -0.179 4.171 4.350 0.000 0.000 0.189 79 E C 2.408 178.999 176.600 -0.015 0.000 0.974 79 E CA 0.658 57.076 56.400 0.031 0.000 0.808 79 E CB -0.566 29.258 29.700 0.206 0.000 0.768 79 E HN 0.149 nan 8.360 nan 0.000 0.453 80 L N 0.804 122.044 121.223 0.028 0.000 2.209 80 L HA 0.083 4.423 4.340 0.000 0.000 0.207 80 L C 0.297 177.155 176.870 -0.020 0.000 1.094 80 L CA 0.835 55.705 54.840 0.050 0.000 0.790 80 L CB -0.132 41.993 42.059 0.111 0.000 0.932 80 L HN 0.220 nan 8.230 nan 0.000 0.447 81 R N 0.202 120.655 120.500 -0.079 0.000 3.146 81 R HA -0.116 4.224 4.340 0.000 0.000 0.250 81 R C -2.257 174.008 176.300 -0.059 0.000 0.912 81 R CA 0.007 56.046 56.100 -0.103 0.000 0.633 81 R CB -1.670 28.542 30.300 -0.146 0.000 1.180 81 R HN 0.354 nan 8.270 nan 0.000 0.464 82 P HA 0.028 nan 4.420 nan 0.000 0.276 82 P C 0.172 177.436 177.300 -0.060 0.000 1.230 82 P CA -0.163 62.911 63.100 -0.043 0.000 0.776 82 P CB 0.774 32.432 31.700 -0.071 0.000 0.888 83 R N 0.963 121.436 120.500 -0.044 0.000 2.240 83 R HA 0.143 4.483 4.340 0.000 0.000 0.203 83 R C 0.382 176.640 176.300 -0.070 0.000 1.011 83 R CA 0.768 56.839 56.100 -0.049 0.000 1.007 83 R CB -0.195 30.089 30.300 -0.027 0.000 0.911 83 R HN 0.501 nan 8.270 nan 0.000 0.468 84 T N 0.597 115.096 114.554 -0.090 0.000 2.912 84 T HA 0.596 4.946 4.350 0.000 0.000 0.299 84 T C -0.412 174.206 174.700 -0.137 0.000 1.052 84 T CA -0.451 61.586 62.100 -0.103 0.000 0.996 84 T CB 2.412 71.216 68.868 -0.106 0.000 1.070 84 T HN -0.109 nan 8.240 nan 0.000 0.465 85 I N 2.221 122.683 120.570 -0.181 0.000 2.500 85 I HA 0.414 4.584 4.170 0.000 0.000 0.286 85 I C -0.896 175.064 176.117 -0.262 0.000 1.063 85 I CA -1.020 60.100 61.300 -0.299 0.000 1.062 85 I CB 2.057 39.733 38.000 -0.540 0.000 1.223 85 I HN 0.303 nan 8.210 nan 0.000 0.435 86 V N 5.540 125.295 119.914 -0.266 0.000 2.398 86 V HA 0.382 4.502 4.120 0.000 0.000 0.286 86 V C 0.023 175.849 176.094 -0.446 0.000 1.026 86 V CA -0.603 61.509 62.300 -0.314 0.000 0.868 86 V CB 1.630 33.244 31.823 -0.348 0.000 0.982 86 V HN 0.598 nan 8.190 nan 0.000 0.443 87 E N 4.549 124.561 120.200 -0.314 0.000 2.129 87 E HA 0.448 4.798 4.350 0.000 0.000 0.268 87 E C -1.022 175.446 176.600 -0.220 0.000 0.900 87 E CA -0.504 55.745 56.400 -0.252 0.000 0.755 87 E CB 1.988 31.635 29.700 -0.090 0.000 1.117 87 E HN 0.562 nan 8.360 nan 0.000 0.410 88 L N 1.777 122.848 121.223 -0.252 0.000 2.331 88 L HA 0.410 4.751 4.340 0.000 0.000 0.278 88 L C 0.805 177.627 176.870 -0.081 0.000 1.106 88 L CA -0.220 54.552 54.840 -0.113 0.000 0.824 88 L CB 0.659 42.703 42.059 -0.024 0.000 1.142 88 L HN 0.716 nan 8.230 nan 0.000 0.443 89 G N 2.697 111.474 108.800 -0.037 0.000 3.445 89 G HA2 -0.091 3.869 3.960 0.000 0.000 0.680 89 G HA3 -0.091 3.869 3.960 0.000 0.000 0.680 89 G C -0.071 174.843 174.900 0.023 0.000 0.972 89 G CA -0.379 44.713 45.100 -0.013 0.000 0.798 89 G HN 0.423 nan 8.290 nan 0.000 0.461 90 V N 3.891 123.846 119.914 0.068 0.000 3.013 90 V HA 0.262 4.382 4.120 0.000 0.000 0.238 90 V C 1.511 177.710 176.094 0.175 0.000 1.161 90 V CA 1.904 64.256 62.300 0.086 0.000 1.170 90 V CB -0.935 30.919 31.823 0.051 0.000 0.917 90 V HN 1.599 nan 8.190 nan 0.000 0.478 91 Y N 2.436 122.750 120.300 0.023 0.000 2.850 91 Y HA -0.492 4.058 4.550 0.000 0.000 0.469 91 Y C 1.957 177.878 175.900 0.036 0.000 1.165 91 Y CA 2.007 60.131 58.100 0.039 0.000 2.638 91 Y CB -1.509 36.980 38.460 0.049 0.000 1.196 91 Y HN 0.503 nan 8.280 nan 0.000 0.625 92 N N 2.070 120.600 118.700 -0.284 0.000 2.512 92 N HA 0.086 4.827 4.740 0.000 0.000 0.183 92 N C 1.494 176.960 175.510 -0.073 0.000 1.073 92 N CA 1.817 54.699 53.050 -0.280 0.000 0.911 92 N CB -0.062 38.249 38.487 -0.293 0.000 0.964 92 N HN 1.563 nan 8.380 nan 0.000 0.447 93 G N -0.828 107.978 108.800 0.009 0.000 2.141 93 G HA2 -0.227 3.733 3.960 0.000 0.000 0.242 93 G HA3 -0.227 3.733 3.960 0.000 0.000 0.242 93 G C 0.878 175.809 174.900 0.052 0.000 0.982 93 G CA 0.406 45.526 45.100 0.033 0.000 0.662 93 G HN 0.658 nan 8.290 nan 0.000 0.527 94 G N 0.925 109.756 108.800 0.051 0.000 2.402 94 G HA2 0.080 4.040 3.960 0.000 0.000 0.216 94 G HA3 0.080 4.040 3.960 0.000 0.000 0.216 94 G C 2.141 177.053 174.900 0.021 0.000 1.162 94 G CA 2.090 47.224 45.100 0.057 0.000 0.777 94 G HN 1.589 nan 8.290 nan 0.000 0.539 95 S N 0.440 116.124 115.700 -0.027 0.000 2.383 95 S HA -0.029 4.441 4.470 0.000 0.000 0.227 95 S C 2.261 176.872 174.600 0.020 0.000 1.026 95 S CA 1.037 59.163 58.200 -0.124 0.000 0.981 95 S CB -0.287 62.852 63.200 -0.101 0.000 0.818 95 S HN 0.060 nan 8.310 nan 0.000 0.472 96 L N 2.249 123.544 121.223 0.120 0.000 2.017 96 L HA 0.155 4.495 4.340 0.000 0.000 0.208 96 L C 3.069 180.020 176.870 0.135 0.000 1.073 96 L CA 1.568 56.511 54.840 0.170 0.000 0.745 96 L CB -1.680 40.437 42.059 0.097 0.000 0.894 96 L HN 0.452 nan 8.230 nan 0.000 0.432 97 A N -1.787 121.104 122.820 0.118 0.000 1.902 97 A HA -0.275 4.045 4.320 0.000 0.000 0.217 97 A C 2.185 179.839 177.584 0.116 0.000 1.181 97 A CA 1.446 53.572 52.037 0.148 0.000 0.623 97 A CB -1.314 17.815 19.000 0.215 0.000 0.818 97 A HN 0.576 nan 8.150 nan 0.000 0.443 98 W N -0.155 120.981 121.300 -0.274 0.000 2.321 98 W HA -0.244 4.416 4.660 0.000 0.000 0.306 98 W C 1.834 178.046 176.519 -0.511 0.000 1.217 98 W CA 2.083 58.950 57.345 -0.796 0.000 1.257 98 W CB -0.552 28.295 29.460 -1.023 0.000 1.145 98 W HN 0.334 nan 8.180 nan 0.000 0.509 99 F N -0.271 119.533 119.950 -0.244 0.000 2.206 99 F HA -0.152 4.375 4.527 0.000 0.000 0.298 99 F C 2.808 178.413 175.800 -0.325 0.000 1.090 99 F CA 1.338 59.110 58.000 -0.379 0.000 1.323 99 F CB -0.504 38.376 39.000 -0.201 0.000 1.028 99 F HN -0.259 nan 8.300 nan 0.000 0.492 100 R N 0.934 121.435 120.500 0.001 0.000 2.073 100 R HA -0.136 4.204 4.340 0.000 0.000 0.229 100 R C 1.526 177.793 176.300 -0.055 0.000 1.120 100 R CA 1.788 57.876 56.100 -0.020 0.000 0.967 100 R CB -0.728 29.583 30.300 0.019 0.000 0.862 100 R HN 0.187 nan 8.270 nan 0.000 0.436 101 D N 0.721 121.084 120.400 -0.061 0.000 2.117 101 D HA -0.156 4.484 4.640 0.000 0.000 0.197 101 D C 1.943 178.169 176.300 -0.124 0.000 0.987 101 D CA 0.863 54.857 54.000 -0.009 0.000 0.829 101 D CB -0.090 40.835 40.800 0.208 0.000 0.961 101 D HN 0.135 nan 8.370 nan 0.000 0.460 102 L N 0.738 121.742 121.223 -0.364 0.000 2.109 102 L HA -0.104 4.236 4.340 0.000 0.000 0.207 102 L C 2.561 179.297 176.870 -0.224 0.000 1.086 102 L CA 1.386 55.977 54.840 -0.414 0.000 0.760 102 L CB -0.751 40.806 42.059 -0.837 0.000 0.910 102 L HN 0.125 nan 8.230 nan 0.000 0.437 103 T N -3.686 110.760 114.554 -0.179 0.000 2.857 103 T HA -0.196 4.154 4.350 0.000 0.000 0.266 103 T C 1.997 176.667 174.700 -0.051 0.000 1.048 103 T CA 0.879 62.918 62.100 -0.102 0.000 1.139 103 T CB -0.255 68.558 68.868 -0.093 0.000 0.874 103 T HN 0.143 nan 8.240 nan 0.000 0.455 104 K N 0.524 120.899 120.400 -0.042 0.000 2.057 104 K HA 0.031 4.351 4.320 0.000 0.000 0.206 104 K C 2.205 178.811 176.600 0.010 0.000 1.050 104 K CA 1.035 57.316 56.287 -0.010 0.000 0.935 104 K CB -0.336 32.164 32.500 0.000 0.000 0.715 104 K HN 0.339 nan 8.250 nan 0.000 0.439 105 I N 0.918 121.495 120.570 0.012 0.000 2.676 105 I HA -0.123 4.047 4.170 0.000 0.000 0.259 105 I C 1.855 178.013 176.117 0.068 0.000 1.194 105 I CA 0.934 62.257 61.300 0.038 0.000 1.473 105 I CB 0.069 38.094 38.000 0.043 0.000 1.096 105 I HN 0.151 nan 8.210 nan 0.000 0.443 106 M N -0.431 119.214 119.600 0.075 0.000 2.595 106 M HA 0.174 4.655 4.480 0.000 0.000 0.248 106 M C 1.440 177.812 176.300 0.120 0.000 1.119 106 M CA 0.832 56.242 55.300 0.184 0.000 1.079 106 M CB -0.118 32.601 32.600 0.197 0.000 1.472 106 M HN 0.389 nan 8.290 nan 0.000 0.501 107 G N 1.797 110.631 108.800 0.056 0.000 2.153 107 G HA2 -0.253 3.707 3.960 0.000 0.000 0.252 107 G HA3 -0.253 3.707 3.960 0.000 0.000 0.252 107 G C 0.034 174.930 174.900 -0.007 0.000 0.994 107 G CA -0.136 44.979 45.100 0.026 0.000 0.698 107 G HN 0.481 nan 8.290 nan 0.000 0.521 108 I N 0.464 121.022 120.570 -0.019 0.000 2.396 108 I HA 0.318 4.488 4.170 0.000 0.000 0.292 108 I C 0.165 176.260 176.117 -0.036 0.000 0.999 108 I CA -0.611 60.663 61.300 -0.043 0.000 1.310 108 I CB 1.315 39.278 38.000 -0.062 0.000 1.404 108 I HN 0.058 nan 8.210 nan 0.000 0.496 109 D N 5.918 126.297 120.400 -0.034 0.000 2.468 109 D HA 0.206 4.847 4.640 0.000 0.000 0.218 109 D C -1.200 175.079 176.300 -0.035 0.000 1.155 109 D CA -0.088 53.896 54.000 -0.028 0.000 0.924 109 D CB 0.553 41.341 40.800 -0.019 0.000 1.029 109 D HN 0.464 nan 8.370 nan 0.000 0.515 110 C N 5.213 124.488 119.300 -0.043 0.000 2.340 110 C HA 0.409 4.869 4.460 0.000 0.000 0.323 110 C C -0.523 174.438 174.990 -0.050 0.000 1.260 110 C CA -0.713 58.272 59.018 -0.057 0.000 1.464 110 C CB 0.694 28.386 27.740 -0.080 0.000 2.156 110 C HN 0.516 nan 8.230 nan 0.000 0.476 111 Q N 3.804 123.575 119.800 -0.047 0.000 2.288 111 Q HA 0.412 4.752 4.340 0.000 0.000 0.254 111 Q C -0.528 175.436 176.000 -0.060 0.000 0.932 111 Q CA -0.097 55.682 55.803 -0.039 0.000 0.902 111 Q CB 1.713 30.437 28.738 -0.023 0.000 1.203 111 Q HN 0.629 nan 8.270 nan 0.000 0.415 112 V N 4.369 124.253 119.914 -0.050 0.000 2.417 112 V HA 0.451 4.571 4.120 0.000 0.000 0.291 112 V C 0.015 176.083 176.094 -0.043 0.000 1.024 112 V CA -0.557 61.703 62.300 -0.066 0.000 0.861 112 V CB 1.407 33.212 31.823 -0.030 0.000 0.985 112 V HN 0.608 nan 8.190 nan 0.000 0.436 113 I N 4.117 124.655 120.570 -0.053 0.000 2.382 113 I HA 0.538 4.708 4.170 0.000 0.000 0.285 113 I C 0.725 176.824 176.117 -0.030 0.000 1.007 113 I CA -0.223 61.070 61.300 -0.011 0.000 1.142 113 I CB 1.713 39.739 38.000 0.042 0.000 1.289 113 I HN 0.722 nan 8.210 nan 0.000 0.453 114 G N 7.295 116.085 108.800 -0.017 0.000 2.332 114 G HA2 0.727 4.687 3.960 0.000 0.000 0.310 114 G HA3 0.727 4.687 3.960 0.000 0.000 0.310 114 G C -0.674 174.227 174.900 0.002 0.000 1.123 114 G CA -0.340 44.748 45.100 -0.020 0.000 0.873 114 G HN 0.478 nan 8.290 nan 0.000 0.460 115 I N 1.734 122.292 120.570 -0.020 0.000 2.474 115 I HA 0.482 4.652 4.170 0.000 0.000 0.294 115 I C -0.847 175.256 176.117 -0.023 0.000 1.005 115 I CA -0.619 60.667 61.300 -0.022 0.000 1.113 115 I CB 2.400 40.348 38.000 -0.088 0.000 1.289 115 I HN 0.331 nan 8.210 nan 0.000 0.436 116 D N 3.417 123.807 120.400 -0.016 0.000 2.706 116 D HA 0.142 4.783 4.640 0.000 0.000 0.227 116 D C 0.087 176.388 176.300 0.001 0.000 1.233 116 D CA -0.537 53.465 54.000 0.003 0.000 0.768 116 D CB 1.891 42.708 40.800 0.029 0.000 1.490 116 D HN 0.649 nan 8.370 nan 0.000 0.458 117 R N 0.939 121.446 120.500 0.012 0.000 2.235 117 R HA 0.049 4.389 4.340 0.000 0.000 0.213 117 R C -0.094 176.219 176.300 0.022 0.000 1.059 117 R CA 0.705 56.812 56.100 0.012 0.000 0.997 117 R CB 0.194 30.506 30.300 0.020 0.000 0.884 117 R HN 0.098 nan 8.270 nan 0.000 0.462 118 D N 0.071 120.492 120.400 0.035 0.000 2.386 118 D HA 0.172 4.812 4.640 0.000 0.000 0.247 118 D C -0.075 176.250 176.300 0.042 0.000 1.336 118 D CA -0.518 53.507 54.000 0.041 0.000 0.976 118 D CB 1.304 42.139 40.800 0.058 0.000 1.257 118 D HN 0.099 nan 8.370 nan 0.000 0.570 119 L N 2.331 123.568 121.223 0.023 0.000 2.592 119 L HA 0.088 4.428 4.340 0.000 0.000 0.227 119 L C 2.112 178.984 176.870 0.004 0.000 1.127 119 L CA 0.259 55.106 54.840 0.012 0.000 0.884 119 L CB -0.011 42.047 42.059 -0.001 0.000 1.065 119 L HN 0.380 nan 8.230 nan 0.000 0.457 120 S N -0.255 115.452 115.700 0.012 0.000 2.447 120 S HA -0.166 4.304 4.470 0.000 0.000 0.233 120 S C 1.998 176.593 174.600 -0.008 0.000 1.006 120 S CA 0.639 58.843 58.200 0.006 0.000 0.957 120 S CB -0.108 63.103 63.200 0.018 0.000 0.773 120 S HN 0.339 nan 8.310 nan 0.000 0.507 121 R N 0.073 120.564 120.500 -0.014 0.000 2.240 121 R HA 0.280 4.620 4.340 0.000 0.000 0.203 121 R C 0.855 177.073 176.300 -0.137 0.000 1.011 121 R CA 0.211 56.262 56.100 -0.081 0.000 1.007 121 R CB -0.679 29.560 30.300 -0.102 0.000 0.911 121 R HN 0.514 nan 8.270 nan 0.000 0.468 122 C N 1.212 120.465 119.300 -0.078 0.000 2.648 122 C HA 0.079 4.539 4.460 0.000 0.000 0.419 122 C C 0.774 175.727 174.990 -0.061 0.000 1.352 122 C CA -0.003 58.973 59.018 -0.070 0.000 1.816 122 C CB 0.060 27.781 27.740 -0.032 0.000 2.598 122 C HN 0.526 nan 8.230 nan 0.000 0.598 123 Q N 4.398 124.161 119.800 -0.061 0.000 2.112 123 Q HA 0.254 4.594 4.340 0.000 0.000 0.222 123 Q C -0.332 175.652 176.000 -0.027 0.000 0.798 123 Q CA -0.091 55.684 55.803 -0.048 0.000 1.060 123 Q CB 0.402 29.101 28.738 -0.066 0.000 1.184 123 Q HN 0.776 nan 8.270 nan 0.000 0.475 124 I N 3.484 124.045 120.570 -0.015 0.000 2.618 124 I HA 0.055 4.225 4.170 0.000 0.000 0.284 124 I C -1.921 174.192 176.117 -0.005 0.000 1.146 124 I CA -1.549 59.752 61.300 0.001 0.000 1.425 124 I CB 0.041 38.049 38.000 0.014 0.000 1.383 124 I HN -0.143 nan 8.210 nan 0.000 0.562 125 P HA 0.044 nan 4.420 nan 0.000 0.268 125 P C 0.395 177.692 177.300 -0.005 0.000 1.205 125 P CA -0.185 62.911 63.100 -0.007 0.000 0.771 125 P CB 0.901 32.597 31.700 -0.008 0.000 0.858 126 A N 2.787 125.603 122.820 -0.007 0.000 1.948 126 A HA -0.212 4.108 4.320 0.000 0.000 0.220 126 A C 2.094 179.676 177.584 -0.004 0.000 1.177 126 A CA 2.233 54.266 52.037 -0.007 0.000 0.636 126 A CB -1.655 17.340 19.000 -0.009 0.000 0.815 126 A HN 0.619 nan 8.150 nan 0.000 0.449 127 S N 0.388 116.086 115.700 -0.004 0.000 2.402 127 S HA -0.158 4.312 4.470 0.000 0.000 0.233 127 S C 0.536 175.137 174.600 0.002 0.000 1.030 127 S CA 1.420 59.619 58.200 -0.002 0.000 1.003 127 S CB -0.343 62.854 63.200 -0.005 0.000 0.813 127 S HN 0.622 nan 8.310 nan 0.000 0.477 128 D N 0.097 120.501 120.400 0.006 0.000 2.643 128 D HA 0.286 4.926 4.640 0.000 0.000 0.244 128 D C 0.366 176.677 176.300 0.020 0.000 1.257 128 D CA -0.073 53.937 54.000 0.016 0.000 0.831 128 D CB 0.317 41.131 40.800 0.024 0.000 1.043 128 D HN 0.283 nan 8.370 nan 0.000 0.488 129 M N 0.227 119.832 119.600 0.009 0.000 2.428 129 M HA 0.065 4.545 4.480 0.000 0.000 0.239 129 M C 0.615 176.915 176.300 0.001 0.000 1.121 129 M CA 0.017 55.319 55.300 0.004 0.000 1.019 129 M CB -0.420 32.176 32.600 -0.007 0.000 1.485 129 M HN 0.063 nan 8.290 nan 0.000 0.484 130 E N 1.791 121.994 120.200 0.005 0.000 2.652 130 E HA -0.159 4.191 4.350 0.000 0.000 0.255 130 E C -0.187 176.414 176.600 0.001 0.000 0.952 130 E CA 0.434 56.835 56.400 0.002 0.000 0.947 130 E CB 0.115 29.818 29.700 0.006 0.000 0.912 130 E HN 0.373 nan 8.360 nan 0.000 0.489 131 N N 2.354 121.051 118.700 -0.005 0.000 2.776 131 N HA -0.194 4.546 4.740 0.000 0.000 0.250 131 N C -1.396 174.107 175.510 -0.012 0.000 1.112 131 N CA 0.974 54.019 53.050 -0.009 0.000 0.733 131 N CB -0.951 37.531 38.487 -0.009 0.000 1.097 131 N HN 0.439 nan 8.380 nan 0.000 0.558 132 I N 0.138 120.700 120.570 -0.014 0.000 2.439 132 I HA 0.257 4.427 4.170 0.000 0.000 0.285 132 I C -0.238 175.852 176.117 -0.045 0.000 1.021 132 I CA -0.459 60.830 61.300 -0.020 0.000 1.091 132 I CB 1.882 39.879 38.000 -0.005 0.000 1.242 132 I HN -0.118 nan 8.210 nan 0.000 0.439 133 T N 6.853 121.370 114.554 -0.061 0.000 2.770 133 T HA 0.540 4.890 4.350 0.000 0.000 0.283 133 T C -0.354 174.230 174.700 -0.193 0.000 0.988 133 T CA -0.479 61.542 62.100 -0.132 0.000 0.957 133 T CB 1.190 69.993 68.868 -0.108 0.000 0.930 133 T HN 0.076 nan 8.240 nan 0.000 0.443 134 L N 3.576 124.646 121.223 -0.254 0.000 2.325 134 L HA 0.516 4.856 4.340 0.000 0.000 0.279 134 L C -0.137 176.492 176.870 -0.402 0.000 1.054 134 L CA -0.329 54.383 54.840 -0.214 0.000 0.804 134 L CB 0.896 42.883 42.059 -0.119 0.000 1.200 134 L HN 0.699 nan 8.230 nan 0.000 0.436 135 H N 0.772 119.817 119.070 -0.041 0.000 2.679 135 H HA 0.480 5.036 4.556 0.000 0.000 0.360 135 H C -1.032 174.260 175.328 -0.061 0.000 1.105 135 H CA -0.635 55.382 56.048 -0.052 0.000 1.196 135 H CB 1.957 31.675 29.762 -0.072 0.000 1.636 135 H HN 0.492 nan 8.280 nan 0.000 0.531 136 Q N 1.943 121.789 119.800 0.077 0.000 2.271 136 Q HA 0.628 4.968 4.340 0.000 0.000 0.258 136 Q C -0.799 175.196 176.000 -0.008 0.000 0.936 136 Q CA -0.673 55.142 55.803 0.021 0.000 0.909 136 Q CB 1.375 30.122 28.738 0.016 0.000 1.253 136 Q HN 0.921 nan 8.270 nan 0.000 0.440 137 G N 2.429 111.202 108.800 -0.045 0.000 2.429 137 G HA2 0.087 4.047 3.960 0.000 0.000 0.300 137 G HA3 0.087 4.047 3.960 0.000 0.000 0.300 137 G C -1.876 172.969 174.900 -0.092 0.000 1.598 137 G CA -0.838 44.207 45.100 -0.091 0.000 0.863 137 G HN 0.538 nan 8.290 nan 0.000 0.614 138 D N -0.032 120.326 120.400 -0.069 0.000 2.350 138 D HA 0.275 4.915 4.640 0.000 0.000 0.249 138 D C 1.444 177.725 176.300 -0.032 0.000 1.119 138 D CA -0.416 53.568 54.000 -0.027 0.000 0.886 138 D CB 1.546 42.349 40.800 0.004 0.000 1.195 138 D HN 0.285 nan 8.370 nan 0.000 0.437 139 C N 1.427 120.757 119.300 0.049 0.000 2.446 139 C HA -0.072 4.388 4.460 0.000 0.000 0.279 139 C C 2.743 177.860 174.990 0.212 0.000 1.366 139 C CA 0.269 59.410 59.018 0.204 0.000 1.763 139 C CB -0.668 27.225 27.740 0.255 0.000 1.929 139 C HN 0.652 nan 8.230 nan 0.000 0.509 140 S N 0.636 116.413 115.700 0.128 0.000 2.493 140 S HA -0.125 4.345 4.470 0.000 0.000 0.243 140 S C 0.248 174.902 174.600 0.089 0.000 0.991 140 S CA 1.340 59.605 58.200 0.109 0.000 0.957 140 S CB -0.497 62.752 63.200 0.082 0.000 0.756 140 S HN 0.922 nan 8.310 nan 0.000 0.521 141 D N -1.664 118.781 120.400 0.076 0.000 2.819 141 D HA 0.274 4.914 4.640 0.000 0.000 0.232 141 D C 0.572 176.899 176.300 0.045 0.000 1.160 141 D CA -0.701 53.328 54.000 0.048 0.000 0.858 141 D CB 0.739 41.547 40.800 0.014 0.000 1.610 141 D HN -0.015 nan 8.370 nan 0.000 0.481 142 L N 1.560 122.805 121.223 0.037 0.000 2.465 142 L HA -0.031 4.309 4.340 0.000 0.000 0.224 142 L C 1.781 178.578 176.870 -0.121 0.000 1.145 142 L CA 0.751 55.612 54.840 0.035 0.000 0.834 142 L CB -0.529 41.517 42.059 -0.020 0.000 0.944 142 L HN 0.644 nan 8.230 nan 0.000 0.451 143 T N -0.863 113.577 114.554 -0.190 0.000 2.778 143 T HA -0.205 4.145 4.350 0.000 0.000 0.269 143 T C 1.894 176.201 174.700 -0.656 0.000 1.050 143 T CA 1.948 63.808 62.100 -0.400 0.000 1.137 143 T CB -0.281 68.419 68.868 -0.281 0.000 0.860 143 T HN 0.373 nan 8.240 nan 0.000 0.468 144 T N 1.519 115.767 114.554 -0.511 0.000 2.737 144 T HA -0.083 4.267 4.350 0.000 0.000 0.269 144 T C 1.419 175.618 174.700 -0.834 0.000 1.040 144 T CA 1.266 62.966 62.100 -0.666 0.000 1.142 144 T CB -0.450 67.937 68.868 -0.801 0.000 0.861 144 T HN 0.477 nan 8.240 nan 0.000 0.456 145 F N 0.876 120.487 119.950 -0.565 0.000 2.530 145 F HA 0.244 4.771 4.527 0.000 0.000 0.292 145 F C 2.334 177.799 175.800 -0.558 0.000 1.109 145 F CA 0.144 57.660 58.000 -0.806 0.000 1.450 145 F CB -0.266 37.701 39.000 -1.722 0.000 1.114 145 F HN 0.135 nan 8.300 nan 0.000 0.560 146 E N -0.523 119.485 120.200 -0.320 0.000 2.274 146 E HA -0.143 4.207 4.350 0.000 0.000 0.194 146 E C 1.145 177.775 176.600 0.049 0.000 0.996 146 E CA 0.904 57.266 56.400 -0.063 0.000 0.840 146 E CB -0.279 29.352 29.700 -0.115 0.000 0.772 146 E HN 0.626 nan 8.360 nan 0.000 0.491 147 H N -0.316 118.709 119.070 -0.075 0.000 2.539 147 H HA 0.136 4.692 4.556 0.000 0.000 0.267 147 H C 0.186 175.458 175.328 -0.093 0.000 0.982 147 H CA -0.657 55.345 56.048 -0.077 0.000 1.146 147 H CB 0.256 29.950 29.762 -0.114 0.000 1.382 147 H HN -0.003 nan 8.280 nan 0.000 0.577 148 L N 2.533 123.771 121.223 0.025 0.000 2.410 148 L HA 0.079 4.419 4.340 0.000 0.000 0.273 148 L C 0.651 177.591 176.870 0.117 0.000 1.152 148 L CA -0.287 54.564 54.840 0.018 0.000 0.855 148 L CB 0.514 42.643 42.059 0.117 0.000 1.129 148 L HN 0.226 nan 8.230 nan 0.000 0.463 149 R N 2.299 122.854 120.500 0.090 0.000 2.726 149 R HA 0.078 4.418 4.340 0.000 0.000 0.272 149 R C 0.098 176.472 176.300 0.124 0.000 1.097 149 R CA -0.481 55.682 56.100 0.105 0.000 1.198 149 R CB 0.267 30.621 30.300 0.091 0.000 1.114 149 R HN 0.664 nan 8.270 nan 0.000 0.550 150 E N 1.142 121.408 120.200 0.109 0.000 2.392 150 E HA 0.158 4.508 4.350 0.000 0.000 0.264 150 E C -0.555 176.097 176.600 0.087 0.000 1.024 150 E CA 0.162 56.628 56.400 0.111 0.000 0.903 150 E CB 0.681 30.441 29.700 0.100 0.000 0.963 150 E HN 0.285 nan 8.360 nan 0.000 0.432 151 M N 1.899 121.541 119.600 0.070 0.000 2.591 151 M HA 0.523 5.003 4.480 0.000 0.000 0.306 151 M C -0.497 175.750 176.300 -0.089 0.000 1.190 151 M CA -1.083 54.209 55.300 -0.013 0.000 0.889 151 M CB 2.316 34.890 32.600 -0.044 0.000 1.728 151 M HN 0.716 nan 8.290 nan 0.000 0.458 152 A N 1.149 123.911 122.820 -0.097 0.000 2.351 152 A HA 0.540 4.860 4.320 0.000 0.000 0.257 152 A C -0.775 176.662 177.584 -0.245 0.000 1.087 152 A CA -0.257 51.742 52.037 -0.062 0.000 0.798 152 A CB 0.298 19.288 19.000 -0.016 0.000 1.033 152 A HN 0.852 nan 8.150 nan 0.000 0.488 153 H N 0.323 119.407 119.070 0.024 0.000 2.679 153 H HA 0.419 4.975 4.556 0.000 0.000 0.367 153 H C -2.390 172.947 175.328 0.014 0.000 1.162 153 H CA -1.480 54.583 56.048 0.026 0.000 1.181 153 H CB 1.373 31.150 29.762 0.025 0.000 1.693 153 H HN 0.482 nan 8.280 nan 0.000 0.538 154 P HA 0.215 nan 4.420 nan 0.000 0.274 154 P C -0.767 176.575 177.300 0.070 0.000 1.256 154 P CA -0.488 62.702 63.100 0.150 0.000 0.795 154 P CB 0.977 32.747 31.700 0.116 0.000 1.038 155 L N 0.224 121.514 121.223 0.110 0.000 2.445 155 L HA 0.602 4.942 4.340 0.000 0.000 0.262 155 L C -1.613 175.337 176.870 0.133 0.000 0.974 155 L CA -0.620 54.249 54.840 0.049 0.000 0.822 155 L CB 1.563 43.612 42.059 -0.017 0.000 1.339 155 L HN 0.196 nan 8.230 nan 0.000 0.409 156 I N 3.999 124.603 120.570 0.056 0.000 2.439 156 I HA 0.302 4.472 4.170 0.000 0.000 0.283 156 I C -1.299 174.842 176.117 0.040 0.000 1.023 156 I CA -0.272 61.075 61.300 0.079 0.000 1.100 156 I CB 1.754 39.707 38.000 -0.078 0.000 1.238 156 I HN 0.442 nan 8.210 nan 0.000 0.445 157 F N 7.911 127.847 119.950 -0.023 0.000 2.385 157 F HA 0.589 5.116 4.527 0.000 0.000 0.360 157 F C -0.384 175.253 175.800 -0.273 0.000 1.122 157 F CA -0.412 57.519 58.000 -0.115 0.000 1.090 157 F CB 0.664 39.643 39.000 -0.034 0.000 1.150 157 F HN 0.232 nan 8.300 nan 0.000 0.472 158 I N 5.146 125.514 120.570 -0.336 0.000 2.378 158 I HA 0.203 4.373 4.170 0.000 0.000 0.291 158 I C -0.996 174.968 176.117 -0.255 0.000 0.992 158 I CA -0.786 60.392 61.300 -0.204 0.000 1.154 158 I CB 1.660 39.585 38.000 -0.124 0.000 1.315 158 I HN 0.456 nan 8.210 nan 0.000 0.448 159 D N 4.997 125.309 120.400 -0.147 0.000 2.329 159 D HA 0.205 4.845 4.640 0.000 0.000 0.232 159 D C -0.148 176.094 176.300 -0.097 0.000 1.088 159 D CA 0.038 53.994 54.000 -0.073 0.000 0.835 159 D CB 1.098 41.935 40.800 0.060 0.000 1.078 159 D HN 0.406 nan 8.370 nan 0.000 0.495 160 D N 2.482 122.744 120.400 -0.229 0.000 2.527 160 D HA 0.200 4.840 4.640 0.000 0.000 0.224 160 D C 0.788 176.676 176.300 -0.688 0.000 1.217 160 D CA 0.055 53.820 54.000 -0.392 0.000 0.819 160 D CB 1.159 41.890 40.800 -0.116 0.000 1.061 160 D HN 0.452 nan 8.370 nan 0.000 0.515 161 A N -0.017 122.477 122.820 -0.543 0.000 1.942 161 A HA 0.024 4.344 4.320 0.000 0.000 0.209 161 A C 0.747 178.225 177.584 -0.177 0.000 1.214 161 A CA 0.725 52.601 52.037 -0.269 0.000 0.686 161 A CB -0.093 18.888 19.000 -0.031 0.000 0.871 161 A HN 0.328 nan 8.150 nan 0.000 0.460 162 H N -2.158 117.033 119.070 0.202 0.000 3.132 162 H HA -0.155 4.401 4.556 0.000 0.000 0.237 162 H C 0.311 175.853 175.328 0.357 0.000 1.189 162 H CA 0.569 56.797 56.048 0.300 0.000 1.129 162 H CB -2.264 27.628 29.762 0.217 0.000 1.225 162 H HN 0.842 nan 8.280 nan 0.000 0.323 163 A N 0.768 123.786 122.820 0.331 0.000 2.317 163 A HA 0.543 4.863 4.320 0.000 0.000 0.327 163 A C 1.082 178.815 177.584 0.248 0.000 1.178 163 A CA 0.263 52.464 52.037 0.274 0.000 0.817 163 A CB 0.978 20.098 19.000 0.199 0.000 1.189 163 A HN 0.353 nan 8.150 nan 0.000 0.489 164 N N 1.161 119.987 118.700 0.209 0.000 2.735 164 N HA -0.162 4.578 4.740 0.000 0.000 0.248 164 N C 0.871 176.482 175.510 0.169 0.000 1.083 164 N CA 1.493 54.644 53.050 0.167 0.000 0.703 164 N CB -1.374 37.203 38.487 0.151 0.000 1.005 164 N HN 0.699 nan 8.380 nan 0.000 0.550 165 T N -1.247 113.426 114.554 0.198 0.000 2.737 165 T HA -0.060 4.290 4.350 0.000 0.000 0.265 165 T C 1.454 176.167 174.700 0.023 0.000 1.038 165 T CA 1.588 63.797 62.100 0.181 0.000 1.144 165 T CB -0.361 68.684 68.868 0.296 0.000 0.866 165 T HN 0.378 nan 8.240 nan 0.000 0.434 166 F N 1.628 121.614 119.950 0.060 0.000 2.234 166 F HA 0.038 4.565 4.527 0.000 0.000 0.299 166 F C 2.322 178.128 175.800 0.011 0.000 1.087 166 F CA 0.693 58.688 58.000 -0.010 0.000 1.340 166 F CB -0.512 38.472 39.000 -0.025 0.000 1.031 166 F HN 0.198 nan 8.300 nan 0.000 0.500 167 N N 0.407 119.205 118.700 0.164 0.000 2.142 167 N HA -0.144 4.596 4.740 0.000 0.000 0.186 167 N C 1.829 177.382 175.510 0.071 0.000 1.023 167 N CA 1.039 54.151 53.050 0.104 0.000 0.852 167 N CB -0.143 38.389 38.487 0.074 0.000 0.998 167 N HN 0.170 nan 8.380 nan 0.000 0.424 168 I N 0.595 121.168 120.570 0.004 0.000 2.394 168 I HA -0.243 3.927 4.170 0.000 0.000 0.251 168 I C 2.388 178.455 176.117 -0.084 0.000 1.136 168 I CA 0.868 62.093 61.300 -0.125 0.000 1.425 168 I CB -0.071 37.804 38.000 -0.207 0.000 1.079 168 I HN 0.243 nan 8.210 nan 0.000 0.425 169 M N 0.715 120.182 119.600 -0.222 0.000 2.132 169 M HA -0.245 4.235 4.480 0.000 0.000 0.263 169 M C 2.394 178.548 176.300 -0.244 0.000 1.065 169 M CA 1.767 56.634 55.300 -0.722 0.000 1.122 169 M CB -0.124 31.800 32.600 -1.125 0.000 1.365 169 M HN 0.048 nan 8.290 nan 0.000 0.411 170 K N -0.619 119.849 120.400 0.115 0.000 2.044 170 K HA -0.279 4.041 4.320 0.000 0.000 0.210 170 K C 1.839 178.483 176.600 0.072 0.000 1.049 170 K CA 2.205 58.602 56.287 0.182 0.000 0.927 170 K CB -0.621 31.966 32.500 0.144 0.000 0.713 170 K HN 0.570 nan 8.250 nan 0.000 0.443 171 W N 1.050 122.317 121.300 -0.056 0.000 2.358 171 W HA -0.170 4.490 4.660 0.000 0.000 0.303 171 W C 1.969 178.487 176.519 -0.002 0.000 1.208 171 W CA 2.352 59.712 57.345 0.026 0.000 1.274 171 W CB -0.418 29.002 29.460 -0.067 0.000 1.138 171 W HN 0.220 nan 8.180 nan 0.000 0.515 172 A N -0.182 122.542 122.820 -0.160 0.000 1.930 172 A HA -0.147 4.173 4.320 0.000 0.000 0.217 172 A C 1.999 179.356 177.584 -0.378 0.000 1.175 172 A CA 2.120 53.912 52.037 -0.409 0.000 0.627 172 A CB -1.159 17.666 19.000 -0.291 0.000 0.815 172 A HN 0.202 nan 8.150 nan 0.000 0.443 173 V N 0.440 120.193 119.914 -0.269 0.000 2.427 173 V HA -0.185 3.936 4.120 0.000 0.000 0.248 173 V C 1.719 177.645 176.094 -0.280 0.000 1.051 173 V CA 2.238 64.418 62.300 -0.200 0.000 1.048 173 V CB -0.614 31.163 31.823 -0.076 0.000 0.666 173 V HN 0.466 nan 8.190 nan 0.000 0.456 174 D N -1.830 118.333 120.400 -0.394 0.000 2.348 174 D HA 0.015 4.655 4.640 0.000 0.000 0.211 174 D C 1.482 177.234 176.300 -0.915 0.000 0.998 174 D CA 0.753 54.395 54.000 -0.598 0.000 0.873 174 D CB 0.080 40.495 40.800 -0.641 0.000 0.925 174 D HN 0.531 nan 8.370 nan 0.000 0.524 175 H N -1.788 116.951 119.070 -0.552 0.000 3.650 175 H HA 0.189 4.746 4.556 0.000 0.000 0.260 175 H C 0.918 175.947 175.328 -0.499 0.000 1.194 175 H CA -0.002 55.698 56.048 -0.580 0.000 1.135 175 H CB 1.337 30.555 29.762 -0.906 0.000 1.612 175 H HN 0.035 nan 8.280 nan 0.000 0.703 176 L N -0.189 120.816 121.223 -0.364 0.000 2.437 176 L HA 0.317 4.658 4.340 0.000 0.000 0.188 176 L C -0.444 176.450 176.870 0.039 0.000 1.123 176 L CA 0.412 55.164 54.840 -0.147 0.000 0.981 176 L CB 0.081 42.006 42.059 -0.223 0.000 1.935 176 L HN -0.098 nan 8.230 nan 0.000 0.494 177 L N 2.026 123.232 121.223 -0.029 0.000 2.453 177 L HA 0.161 4.501 4.340 0.000 0.000 0.272 177 L C 0.051 176.918 176.870 -0.004 0.000 1.182 177 L CA 0.445 55.318 54.840 0.056 0.000 0.858 177 L CB 0.336 42.401 42.059 0.009 0.000 1.120 177 L HN 0.296 nan 8.230 nan 0.000 0.474 178 E N 1.598 121.802 120.200 0.007 0.000 2.281 178 E HA 0.218 4.568 4.350 0.000 0.000 0.257 178 E C -0.609 175.959 176.600 -0.054 0.000 0.971 178 E CA -0.965 55.363 56.400 -0.121 0.000 0.839 178 E CB 1.313 30.798 29.700 -0.359 0.000 1.238 178 E HN 0.451 nan 8.360 nan 0.000 0.412 179 E N 0.089 120.246 120.200 -0.073 0.000 2.465 179 E HA -0.017 4.333 4.350 0.000 0.000 0.260 179 E C 0.384 176.967 176.600 -0.028 0.000 0.980 179 E CA 1.180 57.549 56.400 -0.052 0.000 0.927 179 E CB 0.469 30.137 29.700 -0.053 0.000 0.934 179 E HN 0.780 nan 8.360 nan 0.000 0.459 180 G N 4.477 113.252 108.800 -0.042 0.000 2.234 180 G HA2 -0.209 3.751 3.960 0.000 0.000 0.235 180 G HA3 -0.209 3.751 3.960 0.000 0.000 0.235 180 G C 0.023 174.909 174.900 -0.023 0.000 0.997 180 G CA 0.183 45.262 45.100 -0.035 0.000 0.623 180 G HN 0.599 nan 8.290 nan 0.000 0.514 181 D N -0.072 120.348 120.400 0.033 0.000 2.344 181 D HA 0.552 5.192 4.640 0.000 0.000 0.244 181 D C -0.008 176.334 176.300 0.069 0.000 1.134 181 D CA 0.238 54.325 54.000 0.144 0.000 0.930 181 D CB 0.486 41.406 40.800 0.200 0.000 1.175 181 D HN 0.223 nan 8.370 nan 0.000 0.437 182 Y N 0.064 120.455 120.300 0.153 0.000 2.420 182 Y HA 0.409 4.959 4.550 0.000 0.000 0.334 182 Y C -0.409 175.640 175.900 0.248 0.000 1.094 182 Y CA -0.899 57.307 58.100 0.177 0.000 1.126 182 Y CB 1.394 39.944 38.460 0.150 0.000 1.217 182 Y HN 0.201 nan 8.280 nan 0.000 0.462 183 F N 4.685 124.776 119.950 0.235 0.000 2.496 183 F HA 0.614 5.141 4.527 0.000 0.000 0.341 183 F C -1.328 174.601 175.800 0.215 0.000 1.134 183 F CA -0.757 57.366 58.000 0.205 0.000 0.968 183 F CB 0.414 39.430 39.000 0.028 0.000 1.205 183 F HN 0.296 nan 8.300 nan 0.000 0.436 184 I N 7.331 127.937 120.570 0.060 0.000 2.378 184 I HA 0.371 4.541 4.170 0.000 0.000 0.291 184 I C -0.635 175.524 176.117 0.070 0.000 0.992 184 I CA -0.630 60.759 61.300 0.148 0.000 1.154 184 I CB 1.787 39.901 38.000 0.189 0.000 1.315 184 I HN 0.439 nan 8.210 nan 0.000 0.448 185 I N 6.526 127.204 120.570 0.181 0.000 2.307 185 I HA 0.245 4.415 4.170 0.000 0.000 0.289 185 I C 0.071 176.279 176.117 0.151 0.000 1.021 185 I CA -0.403 61.012 61.300 0.192 0.000 1.224 185 I CB 0.722 38.880 38.000 0.263 0.000 1.376 185 I HN 0.532 nan 8.210 nan 0.000 0.470 186 E N 5.977 126.283 120.200 0.177 0.000 2.277 186 E HA 0.171 4.521 4.350 0.000 0.000 0.274 186 E C -0.230 176.426 176.600 0.095 0.000 1.022 186 E CA -0.450 56.045 56.400 0.158 0.000 0.853 186 E CB 1.091 30.911 29.700 0.200 0.000 1.086 186 E HN 0.600 nan 8.360 nan 0.000 0.397 187 D N 0.544 120.949 120.400 0.008 0.000 2.429 187 D HA -0.255 4.385 4.640 0.000 0.000 0.162 187 D C 1.100 177.318 176.300 -0.137 0.000 1.615 187 D CA 1.797 55.763 54.000 -0.056 0.000 1.630 187 D CB -0.556 40.179 40.800 -0.109 0.000 1.347 187 D HN 0.380 nan 8.370 nan 0.000 0.454 188 M N 0.162 119.540 119.600 -0.369 0.000 2.534 188 M HA 0.310 4.790 4.480 0.000 0.000 0.263 188 M C 2.145 178.003 176.300 -0.737 0.000 1.152 188 M CA 0.626 55.464 55.300 -0.771 0.000 1.145 188 M CB 0.133 31.893 32.600 -1.400 0.000 1.333 188 M HN 0.127 nan 8.290 nan 0.000 0.477 189 I N 0.436 120.780 120.570 -0.376 0.000 2.226 189 I HA -0.211 3.959 4.170 0.000 0.000 0.245 189 I C -0.815 175.130 176.117 -0.286 0.000 1.100 189 I CA 1.324 62.521 61.300 -0.171 0.000 1.374 189 I CB -1.221 36.842 38.000 0.105 0.000 1.057 189 I HN 0.192 nan 8.210 nan 0.000 0.413 190 P HA -0.197 nan 4.420 nan 0.000 0.215 190 P C 1.300 178.346 177.300 -0.424 0.000 1.157 190 P CA 1.734 64.624 63.100 -0.349 0.000 0.868 190 P CB -0.140 31.280 31.700 -0.466 0.000 0.788 191 Y N -2.378 117.724 120.300 -0.331 0.000 2.200 191 Y HA -0.171 4.379 4.550 0.000 0.000 0.290 191 Y C 2.418 178.153 175.900 -0.276 0.000 1.137 191 Y CA 0.797 58.654 58.100 -0.404 0.000 1.163 191 Y CB -1.018 37.277 38.460 -0.276 0.000 0.988 191 Y HN -0.014 nan 8.280 nan 0.000 0.518 192 W N -1.430 119.840 121.300 -0.051 0.000 2.402 192 W HA -0.204 4.456 4.660 0.000 0.000 0.286 192 W C 2.318 178.701 176.519 -0.226 0.000 1.221 192 W CA 0.646 57.970 57.345 -0.035 0.000 1.257 192 W CB -1.460 28.045 29.460 0.075 0.000 1.120 192 W HN 0.173 nan 8.180 nan 0.000 0.551 193 Y N 1.406 121.436 120.300 -0.450 0.000 2.242 193 Y HA -0.199 4.351 4.550 0.000 0.000 0.291 193 Y C 2.790 178.594 175.900 -0.161 0.000 1.137 193 Y CA 2.347 60.224 58.100 -0.371 0.000 1.181 193 Y CB -0.641 37.569 38.460 -0.416 0.000 0.989 193 Y HN -0.093 nan 8.280 nan 0.000 0.527 194 R N -1.138 119.173 120.500 -0.315 0.000 2.066 194 R HA -0.186 4.154 4.340 0.000 0.000 0.232 194 R C 1.994 178.147 176.300 -0.244 0.000 1.131 194 R CA 2.091 57.955 56.100 -0.393 0.000 0.955 194 R CB -0.695 29.282 30.300 -0.538 0.000 0.851 194 R HN 0.484 nan 8.270 nan 0.000 0.432 195 Y N -1.144 119.164 120.300 0.013 0.000 2.365 195 Y HA 0.184 4.734 4.550 0.000 0.000 0.293 195 Y C 0.921 176.828 175.900 0.012 0.000 1.119 195 Y CA 0.001 58.125 58.100 0.040 0.000 1.203 195 Y CB 0.429 38.961 38.460 0.119 0.000 1.026 195 Y HN 0.158 nan 8.280 nan 0.000 0.549 196 A N 0.331 123.242 122.820 0.152 0.000 3.216 196 A HA 0.315 4.635 4.320 0.000 0.000 0.321 196 A C -2.145 175.473 177.584 0.057 0.000 1.042 196 A CA -1.114 50.970 52.037 0.078 0.000 0.838 196 A CB 0.053 19.103 19.000 0.083 0.000 1.136 196 A HN -0.041 nan 8.150 nan 0.000 0.483 197 P HA -0.205 nan 4.420 nan 0.000 0.218 197 P C 1.339 178.709 177.300 0.117 0.000 1.149 197 P CA 1.156 64.190 63.100 -0.110 0.000 0.817 197 P CB 0.422 31.862 31.700 -0.434 0.000 0.785 198 Q N -0.498 119.317 119.800 0.026 0.000 2.020 198 Q HA -0.019 4.321 4.340 0.000 0.000 0.198 198 Q C 2.424 178.395 176.000 -0.048 0.000 0.974 198 Q CA 0.963 56.772 55.803 0.011 0.000 0.829 198 Q CB -0.483 28.243 28.738 -0.020 0.000 0.894 198 Q HN 0.163 nan 8.270 nan 0.000 0.433 199 L N -0.111 121.025 121.223 -0.145 0.000 2.093 199 L HA -0.161 4.179 4.340 0.000 0.000 0.208 199 L C 2.255 178.805 176.870 -0.533 0.000 1.085 199 L CA 0.768 55.342 54.840 -0.443 0.000 0.755 199 L CB -0.305 41.410 42.059 -0.574 0.000 0.904 199 L HN 0.302 nan 8.230 nan 0.000 0.435 200 F N 0.224 120.013 119.950 -0.269 0.000 2.102 200 F HA -0.226 4.302 4.527 0.000 0.000 0.298 200 F C 2.600 178.424 175.800 0.040 0.000 1.105 200 F CA 1.756 59.718 58.000 -0.065 0.000 1.239 200 F CB -0.217 38.922 39.000 0.232 0.000 0.991 200 F HN -0.075 nan 8.300 nan 0.000 0.474 201 S N -0.039 115.725 115.700 0.106 0.000 2.356 201 S HA -0.254 4.216 4.470 0.000 0.000 0.223 201 S C 1.995 176.557 174.600 -0.063 0.000 1.032 201 S CA 1.482 59.707 58.200 0.041 0.000 1.005 201 S CB -0.527 62.779 63.200 0.177 0.000 0.867 201 S HN 0.567 nan 8.310 nan 0.000 0.449 202 E N 0.108 120.271 120.200 -0.063 0.000 2.051 202 E HA -0.166 4.184 4.350 0.000 0.000 0.192 202 E C 1.746 178.362 176.600 0.027 0.000 0.991 202 E CA 1.186 57.574 56.400 -0.020 0.000 0.799 202 E CB -0.213 29.478 29.700 -0.015 0.000 0.748 202 E HN 0.702 nan 8.360 nan 0.000 0.449 203 Y N 0.302 120.416 120.300 -0.310 0.000 2.145 203 Y HA -0.201 4.349 4.550 0.000 0.000 0.286 203 Y C 2.579 178.329 175.900 -0.249 0.000 1.145 203 Y CA 0.364 58.182 58.100 -0.470 0.000 1.148 203 Y CB 0.018 37.839 38.460 -1.065 0.000 0.981 203 Y HN 0.149 nan 8.280 nan 0.000 0.507 204 L N -0.629 120.505 121.223 -0.149 0.000 2.093 204 L HA -0.150 4.190 4.340 0.000 0.000 0.208 204 L C 2.406 179.365 176.870 0.148 0.000 1.085 204 L CA 1.409 56.286 54.840 0.061 0.000 0.755 204 L CB -0.708 41.191 42.059 -0.266 0.000 0.904 204 L HN 0.289 nan 8.230 nan 0.000 0.435 205 G N -1.437 107.388 108.800 0.041 0.000 2.572 205 G HA2 -0.121 3.839 3.960 0.000 0.000 0.216 205 G HA3 -0.121 3.839 3.960 0.000 0.000 0.216 205 G C 1.602 176.519 174.900 0.027 0.000 1.133 205 G CA 0.556 45.680 45.100 0.039 0.000 0.791 205 G HN 0.484 nan 8.290 nan 0.000 0.538 206 A N 0.348 123.173 122.820 0.009 0.000 2.070 206 A HA 0.195 4.515 4.320 0.000 0.000 0.220 206 A C 1.581 178.999 177.584 -0.276 0.000 1.159 206 A CA 0.589 52.531 52.037 -0.158 0.000 0.656 206 A CB -0.391 18.444 19.000 -0.275 0.000 0.800 206 A HN 0.314 nan 8.150 nan 0.000 0.453 207 F N -0.023 119.897 119.950 -0.050 0.000 2.660 207 F HA 0.134 4.661 4.527 0.000 0.000 0.302 207 F C 2.149 177.920 175.800 -0.048 0.000 1.103 207 F CA 0.216 58.184 58.000 -0.053 0.000 1.340 207 F CB 0.070 39.045 39.000 -0.042 0.000 1.048 207 F HN 0.300 nan 8.300 nan 0.000 0.551 208 R N 0.396 120.939 120.500 0.073 0.000 2.120 208 R HA -0.148 4.192 4.340 0.000 0.000 0.234 208 R C 0.566 176.878 176.300 0.019 0.000 1.123 208 R CA 1.959 58.086 56.100 0.045 0.000 0.975 208 R CB -0.535 29.775 30.300 0.017 0.000 0.866 208 R HN 0.170 nan 8.270 nan 0.000 0.446 209 D N 0.797 121.193 120.400 -0.006 0.000 2.355 209 D HA -0.018 4.622 4.640 0.000 0.000 0.218 209 D C 1.696 177.985 176.300 -0.018 0.000 1.004 209 D CA 1.071 55.058 54.000 -0.022 0.000 0.880 209 D CB 0.821 41.593 40.800 -0.047 0.000 0.911 209 D HN 0.381 nan 8.370 nan 0.000 0.528 210 V N -3.200 116.718 119.914 0.006 0.000 3.350 210 V HA 0.318 4.438 4.120 0.000 0.000 0.246 210 V C 0.571 176.673 176.094 0.014 0.000 1.363 210 V CA -0.163 62.139 62.300 0.003 0.000 1.162 210 V CB 0.596 32.423 31.823 0.007 0.000 0.947 210 V HN -0.147 nan 8.190 nan 0.000 0.454 211 L N 1.888 123.139 121.223 0.047 0.000 2.341 211 L HA 0.862 5.202 4.340 0.000 0.000 0.267 211 L C -0.374 176.509 176.870 0.020 0.000 1.009 211 L CA -0.227 54.624 54.840 0.017 0.000 0.819 211 L CB 2.287 44.345 42.059 -0.003 0.000 1.323 211 L HN 0.400 nan 8.230 nan 0.000 0.425 212 S N 1.535 117.236 115.700 0.002 0.000 2.549 212 S HA 0.567 5.037 4.470 0.000 0.000 0.280 212 S C -0.758 173.859 174.600 0.027 0.000 1.109 212 S CA -0.851 57.356 58.200 0.012 0.000 0.905 212 S CB 1.863 65.061 63.200 -0.004 0.000 1.081 212 S HN 0.649 nan 8.310 nan 0.000 0.477 213 M N 3.008 122.635 119.600 0.045 0.000 2.227 213 M HA 0.204 4.684 4.480 0.000 0.000 0.349 213 M C -0.590 175.749 176.300 0.065 0.000 1.443 213 M CA 0.038 55.380 55.300 0.070 0.000 1.110 213 M CB 0.144 32.785 32.600 0.069 0.000 1.773 213 M HN 0.803 nan 8.290 nan 0.000 0.463 214 D N 5.643 126.108 120.400 0.109 0.000 2.374 214 D HA 0.068 4.708 4.640 0.000 0.000 0.240 214 D C 0.768 177.117 176.300 0.082 0.000 1.229 214 D CA -0.083 53.987 54.000 0.116 0.000 0.895 214 D CB 0.704 41.673 40.800 0.282 0.000 1.046 214 D HN 0.642 nan 8.370 nan 0.000 0.498 215 M N 3.468 123.079 119.600 0.019 0.000 2.394 215 M HA -0.084 4.396 4.480 0.000 0.000 0.264 215 M C 1.702 177.972 176.300 -0.050 0.000 1.073 215 M CA 0.346 55.645 55.300 -0.002 0.000 1.111 215 M CB -0.603 31.992 32.600 -0.009 0.000 1.401 215 M HN 0.404 nan 8.290 nan 0.000 0.448 216 L N -0.650 120.485 121.223 -0.146 0.000 2.131 216 L HA -0.167 4.173 4.340 0.000 0.000 0.210 216 L C 1.585 178.269 176.870 -0.310 0.000 1.092 216 L CA 1.965 56.620 54.840 -0.308 0.000 0.759 216 L CB -0.467 41.259 42.059 -0.554 0.000 0.903 216 L HN 0.275 nan 8.230 nan 0.000 0.435 217 Y N -2.925 117.405 120.300 0.050 0.000 2.483 217 Y HA 0.319 4.869 4.550 0.000 0.000 0.258 217 Y C 2.205 178.105 175.900 0.000 0.000 1.083 217 Y CA 0.131 58.240 58.100 0.015 0.000 1.283 217 Y CB -0.193 38.269 38.460 0.004 0.000 1.178 217 Y HN 0.102 nan 8.280 nan 0.000 0.515 218 A N 0.553 123.460 122.820 0.145 0.000 2.015 218 A HA -0.119 4.201 4.320 0.000 0.000 0.219 218 A C 1.318 178.933 177.584 0.052 0.000 1.163 218 A CA 1.434 53.529 52.037 0.097 0.000 0.646 218 A CB -0.315 18.737 19.000 0.087 0.000 0.806 218 A HN 0.318 nan 8.150 nan 0.000 0.448 219 N N -0.662 118.061 118.700 0.040 0.000 2.273 219 N HA 0.336 5.076 4.740 0.000 0.000 0.231 219 N C 0.719 176.238 175.510 0.016 0.000 1.134 219 N CA 0.753 53.813 53.050 0.017 0.000 0.856 219 N CB 0.742 39.233 38.487 0.008 0.000 1.068 219 N HN 0.424 nan 8.380 nan 0.000 0.510 220 A N -0.485 122.352 122.820 0.029 0.000 2.303 220 A HA 0.253 4.573 4.320 0.000 0.000 0.217 220 A C 0.784 178.366 177.584 -0.003 0.000 1.205 220 A CA 0.047 52.100 52.037 0.026 0.000 0.875 220 A CB 0.477 19.520 19.000 0.072 0.000 0.910 220 A HN 0.115 nan 8.150 nan 0.000 0.501 221 S N -1.112 114.578 115.700 -0.018 0.000 2.533 221 S HA 0.379 4.849 4.470 0.000 0.000 0.271 221 S C 0.779 175.358 174.600 -0.034 0.000 1.143 221 S CA 0.389 58.565 58.200 -0.039 0.000 0.891 221 S CB 1.409 64.566 63.200 -0.072 0.000 1.105 221 S HN 0.739 nan 8.310 nan 0.000 0.468 222 S N 3.160 118.841 115.700 -0.033 0.000 2.461 222 S HA -0.035 4.436 4.470 0.000 0.000 0.228 222 S C 1.314 175.900 174.600 -0.023 0.000 1.005 222 S CA 0.736 58.919 58.200 -0.029 0.000 0.942 222 S CB -0.405 62.783 63.200 -0.021 0.000 0.776 222 S HN 0.773 nan 8.310 nan 0.000 0.514 223 Q N 0.315 120.103 119.800 -0.020 0.000 2.212 223 Q HA 0.278 4.618 4.340 0.000 0.000 0.199 223 Q C 1.572 177.573 176.000 0.002 0.000 0.950 223 Q CA 0.844 56.646 55.803 -0.000 0.000 0.863 223 Q CB -0.110 28.630 28.738 0.004 0.000 0.944 223 Q HN 0.554 nan 8.270 nan 0.000 0.465 224 L N 0.747 121.957 121.223 -0.023 0.000 2.628 224 L HA 0.154 4.494 4.340 0.000 0.000 0.229 224 L C 0.163 177.035 176.870 0.003 0.000 1.137 224 L CA -0.406 54.423 54.840 -0.017 0.000 0.909 224 L CB -0.072 41.932 42.059 -0.092 0.000 1.137 224 L HN 0.079 nan 8.230 nan 0.000 0.470 225 D N 1.947 122.340 120.400 -0.011 0.000 2.426 225 D HA -0.050 4.590 4.640 0.000 0.000 0.261 225 D C 0.761 177.063 176.300 0.003 0.000 1.245 225 D CA 0.489 54.481 54.000 -0.014 0.000 0.917 225 D CB 0.299 41.073 40.800 -0.044 0.000 1.123 225 D HN 0.111 nan 8.370 nan 0.000 0.508 226 R N 2.007 122.525 120.500 0.030 0.000 3.878 226 R HA -0.161 4.179 4.340 0.000 0.000 0.330 226 R C 0.832 177.200 176.300 0.114 0.000 1.186 226 R CA 0.876 57.011 56.100 0.058 0.000 0.885 226 R CB -1.843 28.473 30.300 0.027 0.000 1.377 226 R HN 0.521 nan 8.270 nan 0.000 0.523 227 G N -0.348 108.520 108.800 0.114 0.000 3.839 227 G HA2 0.355 4.315 3.960 0.000 0.000 0.286 227 G HA3 0.355 4.315 3.960 0.000 0.000 0.286 227 G C -0.094 174.911 174.900 0.175 0.000 1.005 227 G CA -0.075 45.120 45.100 0.159 0.000 0.824 227 G HN 0.049 nan 8.290 nan 0.000 0.489 228 V N 2.645 122.660 119.914 0.170 0.000 2.334 228 V HA 0.479 4.599 4.120 0.000 0.000 0.267 228 V C -0.013 176.235 176.094 0.256 0.000 1.040 228 V CA -0.288 62.150 62.300 0.230 0.000 0.866 228 V CB 0.617 32.578 31.823 0.230 0.000 1.019 228 V HN 0.164 nan 8.190 nan 0.000 0.468 229 L N 5.869 127.257 121.223 0.274 0.000 2.303 229 L HA 0.877 5.217 4.340 0.000 0.000 0.266 229 L C -0.009 176.915 176.870 0.090 0.000 1.011 229 L CA -0.965 53.977 54.840 0.170 0.000 0.818 229 L CB 2.233 44.378 42.059 0.142 0.000 1.326 229 L HN 0.739 nan 8.230 nan 0.000 0.435 230 R N 0.302 120.762 120.500 -0.068 0.000 2.733 230 R HA 0.846 5.186 4.340 0.000 0.000 0.272 230 R C -1.285 174.931 176.300 -0.140 0.000 1.029 230 R CA -0.991 54.964 56.100 -0.243 0.000 0.888 230 R CB 1.746 31.605 30.300 -0.735 0.000 1.251 230 R HN 0.633 nan 8.270 nan 0.000 0.464 231 R N 0.000 120.418 120.500 -0.137 0.000 2.786 231 R HA 0.000 4.340 4.340 0.000 0.000 0.208 231 R CA 0.000 56.053 56.100 -0.079 0.000 0.921 231 R CB 0.000 30.260 30.300 -0.066 0.000 0.687 231 R HN 0.000 nan 8.270 nan 0.000 0.535