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 2c5q_1_A DATA FIRST_RESID 2 DATA SEQUENCE SDLQKLQRFS TCDISDGLLN VYNIPTGGYF PNLTAISPPQ NSSIVGTAYT DATA SEQUENCE VLFAPIDDPR PAVNYIDSVP PNSILVLALE PHLQSQFHPF IKITQAMYGG DATA SEQUENCE LMSTRAQYLK SNGTVVFGRI RDVDEHRTLN HPVFAYGVGS CAPKAVVKAV DATA SEQUENCE GTNVQLKILT SDGVTQTIXP GDYIAGDNNG IVRIPVQETD ISKLVTYIEK DATA SEQUENCE SIEVDLLVSE DIKNGIPAKQ AQNDRRSVLK KYI 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.555 174.600 -0.074 0.000 1.055 2 S CA 0.000 58.181 58.200 -0.033 0.000 1.107 2 S CB 0.000 63.185 63.200 -0.024 0.000 0.593 3 D N 0.960 121.314 120.400 -0.075 0.000 2.104 3 D HA -0.042 4.597 4.640 -0.000 0.000 0.194 3 D C 1.910 178.011 176.300 -0.332 0.000 0.994 3 D CA 1.644 55.527 54.000 -0.195 0.000 0.830 3 D CB -0.394 40.281 40.800 -0.209 0.000 0.959 3 D HN 0.507 nan 8.370 nan 0.000 0.452 4 L N 0.457 121.516 121.223 -0.275 0.000 2.083 4 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 4 L C 2.532 179.271 176.870 -0.218 0.000 1.083 4 L CA 1.095 55.781 54.840 -0.257 0.000 0.752 4 L CB -0.384 41.609 42.059 -0.110 0.000 0.899 4 L HN 0.040 nan 8.230 nan 0.000 0.433 5 Q N -0.074 119.626 119.800 -0.167 0.000 2.124 5 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 5 Q C 2.192 178.050 176.000 -0.238 0.000 0.977 5 Q CA 1.407 57.116 55.803 -0.157 0.000 0.850 5 Q CB 0.021 28.697 28.738 -0.104 0.000 0.901 5 Q HN 0.467 nan 8.270 nan 0.000 0.429 6 K N 0.406 120.638 120.400 -0.280 0.000 2.031 6 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 6 K C 2.015 178.118 176.600 -0.828 0.000 1.049 6 K CA 0.841 56.881 56.287 -0.411 0.000 0.939 6 K CB -0.046 32.295 32.500 -0.266 0.000 0.717 6 K HN 0.126 nan 8.250 nan 0.000 0.438 7 L N 1.149 121.979 121.223 -0.655 0.000 2.187 7 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 7 L C 2.585 179.161 176.870 -0.490 0.000 1.100 7 L CA 0.910 55.361 54.840 -0.649 0.000 0.765 7 L CB -0.327 41.523 42.059 -0.349 0.000 0.904 7 L HN 0.212 nan 8.230 nan 0.000 0.437 8 Q N 0.701 120.284 119.800 -0.361 0.000 2.291 8 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 8 Q C 1.999 177.892 176.000 -0.178 0.000 0.976 8 Q CA 1.424 57.105 55.803 -0.203 0.000 0.875 8 Q CB -0.023 28.625 28.738 -0.149 0.000 0.927 8 Q HN 0.347 nan 8.270 nan 0.000 0.450 9 R N -1.016 119.299 120.500 -0.309 0.000 2.299 9 R HA 0.138 4.478 4.340 -0.000 0.000 0.197 9 R C -0.255 176.114 176.300 0.114 0.000 0.971 9 R CA -0.019 55.995 56.100 -0.143 0.000 1.030 9 R CB 0.236 30.431 30.300 -0.175 0.000 0.932 9 R HN 0.199 nan 8.270 nan 0.000 0.477 10 F N 0.634 120.573 119.950 -0.019 0.000 2.425 10 F HA 0.208 4.735 4.527 -0.000 0.000 0.331 10 F C 1.104 176.902 175.800 -0.003 0.000 1.085 10 F CA -1.375 56.618 58.000 -0.012 0.000 1.028 10 F CB 1.471 40.464 39.000 -0.012 0.000 1.177 10 F HN -0.067 nan 8.300 nan 0.000 0.487 11 S N -0.480 115.335 115.700 0.191 0.000 2.614 11 S HA 0.069 4.539 4.470 -0.000 0.000 0.265 11 S C 1.155 175.820 174.600 0.109 0.000 1.303 11 S CA -0.082 58.186 58.200 0.113 0.000 1.000 11 S CB 1.361 64.601 63.200 0.066 0.000 0.935 11 S HN 0.810 nan 8.310 nan 0.000 0.551 12 T N -1.283 113.324 114.554 0.087 0.000 2.833 12 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 12 T C 1.866 176.601 174.700 0.058 0.000 1.054 12 T CA 1.451 63.603 62.100 0.088 0.000 1.135 12 T CB -1.431 67.498 68.868 0.102 0.000 0.869 12 T HN 0.682 nan 8.240 nan 0.000 0.466 13 C N 2.026 121.341 119.300 0.025 0.000 2.440 13 C HA -0.029 4.431 4.460 -0.000 0.000 0.278 13 C C 2.674 177.656 174.990 -0.013 0.000 1.295 13 C CA 0.484 59.495 59.018 -0.012 0.000 1.738 13 C CB -1.019 26.707 27.740 -0.023 0.000 1.987 13 C HN 0.572 nan 8.230 nan 0.000 0.492 14 D N 1.118 121.506 120.400 -0.020 0.000 2.117 14 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 14 D C 1.920 178.173 176.300 -0.079 0.000 0.987 14 D CA 1.176 55.123 54.000 -0.089 0.000 0.829 14 D CB -0.395 40.299 40.800 -0.176 0.000 0.961 14 D HN 0.473 nan 8.370 nan 0.000 0.460 15 I N 0.894 121.463 120.570 -0.001 0.000 2.179 15 I HA -0.229 3.940 4.170 -0.000 0.000 0.242 15 I C 2.396 178.548 176.117 0.058 0.000 1.088 15 I CA 0.795 62.127 61.300 0.053 0.000 1.357 15 I CB -0.176 37.902 38.000 0.129 0.000 1.051 15 I HN -0.128 nan 8.210 nan 0.000 0.409 16 S N 0.407 116.139 115.700 0.052 0.000 2.382 16 S HA -0.196 4.274 4.470 -0.000 0.000 0.228 16 S C 1.570 176.187 174.600 0.028 0.000 1.027 16 S CA 1.374 59.601 58.200 0.046 0.000 0.991 16 S CB -0.355 62.858 63.200 0.021 0.000 0.823 16 S HN 0.426 nan 8.310 nan 0.000 0.469 17 D N 1.242 121.656 120.400 0.023 0.000 2.123 17 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 17 D C 2.153 178.490 176.300 0.062 0.000 0.992 17 D CA 1.339 55.368 54.000 0.050 0.000 0.833 17 D CB -0.854 39.981 40.800 0.059 0.000 0.954 17 D HN 0.461 nan 8.370 nan 0.000 0.455 18 G N 0.597 109.440 108.800 0.071 0.000 2.421 18 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 18 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 18 G C 1.805 176.679 174.900 -0.043 0.000 1.171 18 G CA 0.336 45.427 45.100 -0.015 0.000 0.775 18 G HN 0.253 nan 8.290 nan 0.000 0.543 19 L N -0.381 120.875 121.223 0.055 0.000 2.056 19 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 19 L C 2.690 179.603 176.870 0.071 0.000 1.078 19 L CA 0.443 55.350 54.840 0.112 0.000 0.749 19 L CB -0.409 41.704 42.059 0.090 0.000 0.901 19 L HN 0.226 nan 8.230 nan 0.000 0.433 20 L N -0.036 121.197 121.223 0.016 0.000 2.017 20 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 20 L C 2.224 179.060 176.870 -0.057 0.000 1.073 20 L CA 1.871 56.708 54.840 -0.006 0.000 0.745 20 L CB -0.679 41.376 42.059 -0.006 0.000 0.894 20 L HN 0.248 nan 8.230 nan 0.000 0.432 21 N N -1.002 117.615 118.700 -0.138 0.000 2.251 21 N HA -0.039 4.701 4.740 -0.000 0.000 0.181 21 N C 1.759 177.060 175.510 -0.348 0.000 1.019 21 N CA 1.527 54.444 53.050 -0.222 0.000 0.862 21 N CB 0.011 38.362 38.487 -0.227 0.000 0.992 21 N HN 0.274 nan 8.380 nan 0.000 0.429 22 V N -0.064 119.555 119.914 -0.492 0.000 2.488 22 V HA -0.115 4.004 4.120 -0.000 0.000 0.246 22 V C 1.065 176.795 176.094 -0.607 0.000 1.046 22 V CA 1.352 63.308 62.300 -0.574 0.000 1.053 22 V CB -0.459 30.989 31.823 -0.624 0.000 0.679 22 V HN 0.251 nan 8.190 nan 0.000 0.458 23 Y N -0.980 119.249 120.300 -0.117 0.000 2.481 23 Y HA 0.331 4.881 4.550 -0.000 0.000 0.247 23 Y C 1.261 177.133 175.900 -0.047 0.000 1.151 23 Y CA -0.137 57.926 58.100 -0.062 0.000 1.238 23 Y CB 0.170 38.607 38.460 -0.039 0.000 1.179 23 Y HN 0.317 nan 8.280 nan 0.000 0.524 24 N N 1.187 119.905 118.700 0.030 0.000 2.735 24 N HA -0.228 4.511 4.740 -0.000 0.000 0.248 24 N C -0.913 174.620 175.510 0.039 0.000 1.083 24 N CA 0.400 53.460 53.050 0.016 0.000 0.703 24 N CB -1.476 37.015 38.487 0.005 0.000 1.005 24 N HN 0.400 nan 8.380 nan 0.000 0.550 25 I N 1.152 121.757 120.570 0.057 0.000 2.308 25 I HA 0.124 4.293 4.170 -0.000 0.000 0.293 25 I C -0.860 175.270 176.117 0.021 0.000 1.078 25 I CA -1.747 59.578 61.300 0.042 0.000 1.292 25 I CB 0.986 39.018 38.000 0.053 0.000 1.423 25 I HN 0.043 nan 8.210 nan 0.000 0.493 26 P HA -0.153 nan 4.420 nan 0.000 0.220 26 P C 1.238 178.539 177.300 0.002 0.000 1.148 26 P CA 1.373 64.474 63.100 0.002 0.000 0.803 26 P CB -0.076 31.622 31.700 -0.003 0.000 0.782 27 T N -5.383 109.172 114.554 0.001 0.000 3.107 27 T HA 0.328 4.678 4.350 -0.000 0.000 0.249 27 T C 1.474 176.199 174.700 0.041 0.000 1.096 27 T CA 0.459 62.566 62.100 0.012 0.000 1.012 27 T CB -1.092 67.767 68.868 -0.015 0.000 0.977 27 T HN 0.229 nan 8.240 nan 0.000 0.527 28 G N 1.130 109.953 108.800 0.038 0.000 2.225 28 G HA2 0.049 4.009 3.960 -0.000 0.000 0.267 28 G HA3 0.049 4.009 3.960 -0.000 0.000 0.267 28 G C 1.090 176.053 174.900 0.104 0.000 1.024 28 G CA 0.357 45.491 45.100 0.058 0.000 0.784 28 G HN 1.782 nan 8.290 nan 0.000 0.507 29 G N -1.910 106.949 108.800 0.098 0.000 2.155 29 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 29 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 29 G C 0.345 175.395 174.900 0.250 0.000 0.983 29 G CA 0.851 46.045 45.100 0.156 0.000 0.676 29 G HN 1.810 nan 8.290 nan 0.000 0.528 30 Y N -0.308 119.999 120.300 0.012 0.000 2.359 30 Y HA 0.518 5.067 4.550 -0.000 0.000 0.330 30 Y C -0.082 175.758 175.900 -0.100 0.000 1.143 30 Y CA -0.706 57.416 58.100 0.036 0.000 1.318 30 Y CB 0.336 38.794 38.460 -0.004 0.000 1.234 30 Y HN 0.021 nan 8.280 nan 0.000 0.522 31 F N 7.974 127.617 119.950 -0.512 0.000 2.347 31 F HA 0.368 4.895 4.527 -0.000 0.000 0.366 31 F C -2.093 173.239 175.800 -0.780 0.000 1.107 31 F CA -2.645 55.112 58.000 -0.405 0.000 1.058 31 F CB 0.800 39.764 39.000 -0.061 0.000 1.236 31 F HN 0.376 nan 8.300 nan 0.000 0.456 32 P HA 0.205 nan 4.420 nan 0.000 0.278 32 P C -0.363 176.828 177.300 -0.181 0.000 1.258 32 P CA -0.195 62.640 63.100 -0.441 0.000 0.811 32 P CB 0.996 32.640 31.700 -0.093 0.000 1.063 33 N N -1.920 116.750 118.700 -0.049 0.000 2.901 33 N HA -0.129 4.610 4.740 -0.000 0.000 0.248 33 N C -0.517 175.084 175.510 0.151 0.000 1.044 33 N CA 0.607 53.657 53.050 -0.001 0.000 0.847 33 N CB -2.086 36.110 38.487 -0.484 0.000 1.127 33 N HN 0.415 nan 8.380 nan 0.000 0.562 34 L N 1.158 122.428 121.223 0.077 0.000 2.334 34 L HA 0.397 4.737 4.340 -0.000 0.000 0.277 34 L C 0.796 177.763 176.870 0.162 0.000 1.075 34 L CA 0.031 54.903 54.840 0.054 0.000 0.804 34 L CB 1.395 43.368 42.059 -0.143 0.000 1.174 34 L HN -0.096 nan 8.230 nan 0.000 0.438 35 T N 1.606 116.235 114.554 0.125 0.000 2.859 35 T HA 0.456 4.806 4.350 -0.000 0.000 0.281 35 T C 0.167 174.795 174.700 -0.121 0.000 1.005 35 T CA -0.557 61.581 62.100 0.063 0.000 1.025 35 T CB 1.686 70.591 68.868 0.062 0.000 0.977 35 T HN 0.641 nan 8.240 nan 0.000 0.458 36 A N 3.996 126.621 122.820 -0.326 0.000 2.906 36 A HA 0.280 4.599 4.320 -0.000 0.000 0.289 36 A C 1.472 178.811 177.584 -0.409 0.000 1.675 36 A CA -0.351 51.203 52.037 -0.805 0.000 1.372 36 A CB -0.920 17.568 19.000 -0.854 0.000 1.091 36 A HN 0.794 nan 8.150 nan 0.000 0.579 37 I N 0.600 120.983 120.570 -0.312 0.000 2.315 37 I HA -0.069 4.101 4.170 -0.000 0.000 0.248 37 I C 1.420 177.453 176.117 -0.140 0.000 1.117 37 I CA 1.386 62.590 61.300 -0.161 0.000 1.404 37 I CB -0.688 37.247 38.000 -0.108 0.000 1.071 37 I HN 0.494 nan 8.210 nan 0.000 0.419 38 S N 3.156 118.739 115.700 -0.195 0.000 2.577 38 S HA 0.377 4.847 4.470 -0.000 0.000 0.294 38 S C -2.433 172.045 174.600 -0.202 0.000 1.161 38 S CA -1.549 56.581 58.200 -0.117 0.000 1.143 38 S CB 0.715 63.908 63.200 -0.011 0.000 0.991 38 S HN -0.067 nan 8.310 nan 0.000 0.475 39 P HA 0.314 nan 4.420 nan 0.000 0.274 39 P C -2.771 174.463 177.300 -0.111 0.000 1.231 39 P CA -1.536 61.439 63.100 -0.207 0.000 0.790 39 P CB -0.470 31.151 31.700 -0.131 0.000 0.951 40 P HA 0.103 nan 4.420 nan 0.000 0.267 40 P C 1.031 178.331 177.300 -0.001 0.000 1.200 40 P CA 0.202 63.300 63.100 -0.005 0.000 0.772 40 P CB 0.418 32.152 31.700 0.056 0.000 0.855 41 Q N 0.518 120.323 119.800 0.008 0.000 2.123 41 Q HA -0.061 4.279 4.340 -0.000 0.000 0.199 41 Q C 0.627 176.635 176.000 0.014 0.000 0.966 41 Q CA 0.987 56.797 55.803 0.011 0.000 0.845 41 Q CB -0.002 28.746 28.738 0.016 0.000 0.907 41 Q HN 0.542 nan 8.270 nan 0.000 0.439 42 N N -0.537 118.173 118.700 0.018 0.000 2.418 42 N HA 0.013 4.753 4.740 -0.000 0.000 0.283 42 N C 1.068 176.595 175.510 0.029 0.000 1.267 42 N CA 0.515 53.576 53.050 0.019 0.000 0.975 42 N CB 0.588 39.084 38.487 0.015 0.000 1.167 42 N HN 0.040 nan 8.380 nan 0.000 0.581 43 S N -0.976 114.742 115.700 0.030 0.000 2.383 43 S HA -0.066 4.403 4.470 -0.000 0.000 0.227 43 S C 0.982 175.619 174.600 0.063 0.000 1.026 43 S CA 0.724 58.950 58.200 0.042 0.000 0.981 43 S CB -0.240 62.983 63.200 0.039 0.000 0.818 43 S HN 0.702 nan 8.310 nan 0.000 0.472 44 S N 0.809 116.543 115.700 0.056 0.000 2.607 44 S HA 0.731 5.201 4.470 -0.000 0.000 0.273 44 S C -0.802 173.829 174.600 0.051 0.000 1.148 44 S CA -1.183 57.059 58.200 0.070 0.000 0.833 44 S CB 1.346 64.578 63.200 0.053 0.000 1.130 44 S HN 0.698 nan 8.310 nan 0.000 0.470 45 I N -0.034 120.567 120.570 0.051 0.000 2.530 45 I HA 0.927 5.097 4.170 -0.000 0.000 0.297 45 I C -0.678 175.428 176.117 -0.017 0.000 1.011 45 I CA -1.317 59.995 61.300 0.020 0.000 1.107 45 I CB 1.846 39.870 38.000 0.040 0.000 1.285 45 I HN 0.719 nan 8.210 nan 0.000 0.436 46 V N 1.549 121.452 119.914 -0.019 0.000 3.007 46 V HA 1.095 5.215 4.120 -0.000 0.000 0.311 46 V C -0.204 175.895 176.094 0.008 0.000 1.120 46 V CA -0.074 62.214 62.300 -0.021 0.000 0.980 46 V CB 1.141 32.931 31.823 -0.055 0.000 1.033 46 V HN 1.335 nan 8.190 nan 0.000 0.429 47 G N 0.856 109.688 108.800 0.052 0.000 2.466 47 G HA2 0.612 4.571 3.960 -0.000 0.000 0.291 47 G HA3 0.612 4.571 3.960 -0.000 0.000 0.291 47 G C -0.624 174.377 174.900 0.168 0.000 1.460 47 G CA -0.009 45.149 45.100 0.096 0.000 0.791 47 G HN 1.560 nan 8.290 nan 0.000 0.505 48 T N -1.039 113.608 114.554 0.155 0.000 2.869 48 T HA 0.638 4.987 4.350 -0.000 0.000 0.295 48 T C 0.660 175.387 174.700 0.046 0.000 0.987 48 T CA 0.418 62.564 62.100 0.077 0.000 1.109 48 T CB 1.483 70.374 68.868 0.038 0.000 0.932 48 T HN 1.752 nan 8.240 nan 0.000 0.518 49 A N 3.445 126.261 122.820 -0.006 0.000 2.451 49 A HA 0.375 4.695 4.320 -0.000 0.000 0.266 49 A C -0.512 177.118 177.584 0.078 0.000 1.119 49 A CA -0.572 51.470 52.037 0.007 0.000 0.786 49 A CB -0.480 18.481 19.000 -0.065 0.000 1.061 49 A HN 0.976 nan 8.150 nan 0.000 0.503 50 Y N 3.532 123.822 120.300 -0.018 0.000 2.402 50 Y HA 0.449 4.999 4.550 -0.000 0.000 0.332 50 Y C 0.643 176.540 175.900 -0.004 0.000 0.960 50 Y CA -0.273 57.829 58.100 0.003 0.000 1.228 50 Y CB 1.002 39.487 38.460 0.042 0.000 1.120 50 Y HN 0.754 nan 8.280 nan 0.000 0.491 51 T N 2.772 117.138 114.554 -0.314 0.000 2.909 51 T HA 0.716 5.066 4.350 -0.000 0.000 0.286 51 T C -0.811 173.670 174.700 -0.366 0.000 1.002 51 T CA -0.699 61.246 62.100 -0.259 0.000 1.074 51 T CB 1.614 70.368 68.868 -0.190 0.000 0.984 51 T HN 0.358 nan 8.240 nan 0.000 0.495 52 V N 3.383 123.154 119.914 -0.239 0.000 2.569 52 V HA 0.515 4.635 4.120 -0.000 0.000 0.301 52 V C -0.751 175.296 176.094 -0.079 0.000 1.044 52 V CA -0.952 61.203 62.300 -0.242 0.000 0.874 52 V CB 1.492 33.087 31.823 -0.380 0.000 1.002 52 V HN 0.956 nan 8.190 nan 0.000 0.424 53 L N 5.208 126.377 121.223 -0.089 0.000 2.307 53 L HA 0.720 5.060 4.340 -0.000 0.000 0.284 53 L C -1.077 175.798 176.870 0.009 0.000 1.023 53 L CA 0.180 55.023 54.840 0.005 0.000 0.810 53 L CB 1.068 43.100 42.059 -0.044 0.000 1.231 53 L HN 0.478 nan 8.230 nan 0.000 0.423 54 F N 3.875 123.777 119.950 -0.079 0.000 2.480 54 F HA 0.819 5.346 4.527 -0.000 0.000 0.329 54 F C 0.439 176.222 175.800 -0.028 0.000 1.091 54 F CA -0.272 57.702 58.000 -0.043 0.000 0.972 54 F CB 2.011 40.992 39.000 -0.032 0.000 1.150 54 F HN 0.684 nan 8.300 nan 0.000 0.467 55 A N 3.303 126.205 122.820 0.136 0.000 2.532 55 A HA 0.844 5.163 4.320 -0.000 0.000 0.290 55 A C -2.905 174.748 177.584 0.115 0.000 1.143 55 A CA -2.134 49.965 52.037 0.103 0.000 0.728 55 A CB 1.402 20.446 19.000 0.074 0.000 1.317 55 A HN 0.394 nan 8.150 nan 0.000 0.414 56 P HA 0.047 nan 4.420 nan 0.000 0.268 56 P C 1.279 178.632 177.300 0.088 0.000 1.208 56 P CA -0.224 62.946 63.100 0.117 0.000 0.777 56 P CB 0.262 32.052 31.700 0.150 0.000 0.875 57 I N -0.452 120.166 120.570 0.079 0.000 2.614 57 I HA -0.151 4.019 4.170 -0.000 0.000 0.258 57 I C 0.466 176.610 176.117 0.045 0.000 1.189 57 I CA 1.879 63.215 61.300 0.058 0.000 1.462 57 I CB -1.240 36.793 38.000 0.056 0.000 1.092 57 I HN 0.160 nan 8.210 nan 0.000 0.442 58 D N 1.498 121.927 120.400 0.048 0.000 2.363 58 D HA -0.038 4.602 4.640 -0.000 0.000 0.220 58 D C 0.823 177.142 176.300 0.031 0.000 0.994 58 D CA 0.363 54.385 54.000 0.036 0.000 0.890 58 D CB -0.319 40.501 40.800 0.034 0.000 0.906 58 D HN 0.503 nan 8.370 nan 0.000 0.530 59 D N 1.498 121.922 120.400 0.040 0.000 2.472 59 D HA -0.040 4.599 4.640 -0.000 0.000 0.237 59 D C -1.301 175.009 176.300 0.018 0.000 1.141 59 D CA -1.141 52.879 54.000 0.033 0.000 0.875 59 D CB 2.019 42.846 40.800 0.045 0.000 1.192 59 D HN -0.018 nan 8.370 nan 0.000 0.450 60 P HA -0.040 nan 4.420 nan 0.000 0.226 60 P C 0.164 177.464 177.300 0.001 0.000 1.153 60 P CA 0.546 63.650 63.100 0.005 0.000 0.777 60 P CB 0.339 32.040 31.700 0.002 0.000 0.794 61 R N 1.765 122.264 120.500 -0.001 0.000 2.491 61 R HA 0.239 4.579 4.340 -0.000 0.000 0.283 61 R C -1.956 174.337 176.300 -0.012 0.000 1.072 61 R CA -1.666 54.428 56.100 -0.009 0.000 1.048 61 R CB -0.342 29.949 30.300 -0.015 0.000 0.983 61 R HN 0.176 nan 8.270 nan 0.000 0.450 62 P HA 0.036 nan 4.420 nan 0.000 0.275 62 P C -0.752 176.531 177.300 -0.027 0.000 1.228 62 P CA -0.252 62.839 63.100 -0.015 0.000 0.786 62 P CB 0.836 32.530 31.700 -0.011 0.000 0.927 63 A N 2.818 125.623 122.820 -0.026 0.000 2.531 63 A HA 0.355 4.675 4.320 -0.000 0.000 0.236 63 A C 0.554 178.120 177.584 -0.031 0.000 1.062 63 A CA -0.007 52.006 52.037 -0.040 0.000 0.760 63 A CB -0.417 18.568 19.000 -0.024 0.000 0.995 63 A HN 0.501 nan 8.150 nan 0.000 0.501 64 V N 0.637 120.529 119.914 -0.038 0.000 2.960 64 V HA 0.649 4.769 4.120 -0.000 0.000 0.315 64 V C -0.141 175.974 176.094 0.035 0.000 1.087 64 V CA -1.239 61.060 62.300 -0.002 0.000 0.982 64 V CB 1.964 33.786 31.823 -0.001 0.000 1.039 64 V HN 0.866 nan 8.190 nan 0.000 0.437 65 N N 1.821 120.539 118.700 0.030 0.000 2.406 65 N HA 0.290 5.030 4.740 -0.000 0.000 0.251 65 N C -0.026 175.534 175.510 0.083 0.000 1.069 65 N CA -0.213 52.839 53.050 0.004 0.000 0.947 65 N CB 0.751 39.226 38.487 -0.020 0.000 1.111 65 N HN 0.936 nan 8.380 nan 0.000 0.497 66 Y N 3.012 123.352 120.300 0.068 0.000 2.524 66 Y HA 0.342 4.892 4.550 -0.000 0.000 0.270 66 Y C 1.566 177.617 175.900 0.252 0.000 1.094 66 Y CA -0.268 57.927 58.100 0.159 0.000 1.276 66 Y CB -0.146 38.389 38.460 0.124 0.000 1.130 66 Y HN 0.373 nan 8.280 nan 0.000 0.536 67 I N 1.584 121.965 120.570 -0.316 0.000 2.617 67 I HA -0.123 4.046 4.170 -0.000 0.000 0.256 67 I C 1.175 177.264 176.117 -0.048 0.000 1.167 67 I CA 1.255 62.444 61.300 -0.185 0.000 1.469 67 I CB -0.329 37.429 38.000 -0.402 0.000 1.098 67 I HN 0.164 nan 8.210 nan 0.000 0.436 68 D N -0.364 120.004 120.400 -0.053 0.000 2.363 68 D HA 0.029 4.669 4.640 -0.000 0.000 0.220 68 D C 1.507 177.798 176.300 -0.015 0.000 0.994 68 D CA 0.622 54.601 54.000 -0.036 0.000 0.890 68 D CB 0.228 41.003 40.800 -0.043 0.000 0.906 68 D HN 0.238 nan 8.370 nan 0.000 0.530 69 S N -0.191 115.511 115.700 0.004 0.000 2.593 69 S HA 0.118 4.587 4.470 -0.000 0.000 0.236 69 S C 0.480 174.897 174.600 -0.305 0.000 0.991 69 S CA -0.374 57.802 58.200 -0.039 0.000 0.963 69 S CB 1.248 64.502 63.200 0.090 0.000 0.865 69 S HN -0.056 nan 8.310 nan 0.000 0.488 70 V N 4.880 124.577 119.914 -0.362 0.000 2.509 70 V HA 0.094 4.214 4.120 -0.000 0.000 0.297 70 V C -2.182 173.692 176.094 -0.366 0.000 1.014 70 V CA -1.028 60.903 62.300 -0.615 0.000 1.127 70 V CB -0.089 31.618 31.823 -0.194 0.000 0.925 70 V HN 0.200 nan 8.190 nan 0.000 0.480 71 P HA 0.293 nan 4.420 nan 0.000 0.276 71 P C -2.605 174.649 177.300 -0.075 0.000 1.244 71 P CA -1.806 61.197 63.100 -0.162 0.000 0.801 71 P CB 0.050 31.684 31.700 -0.110 0.000 1.006 72 P HA -0.033 nan 4.420 nan 0.000 0.271 72 P C 0.056 177.359 177.300 0.005 0.000 1.218 72 P CA 0.403 63.495 63.100 -0.013 0.000 0.780 72 P CB 0.127 31.817 31.700 -0.017 0.000 0.901 73 N N -1.794 116.919 118.700 0.022 0.000 2.828 73 N HA -0.130 4.610 4.740 -0.000 0.000 0.248 73 N C -0.014 175.525 175.510 0.049 0.000 1.044 73 N CA 1.235 54.306 53.050 0.034 0.000 0.851 73 N CB -1.722 36.783 38.487 0.030 0.000 1.136 73 N HN 0.666 nan 8.380 nan 0.000 0.572 74 S N -0.242 115.486 115.700 0.047 0.000 2.632 74 S HA 0.614 5.084 4.470 -0.000 0.000 0.267 74 S C 0.423 175.068 174.600 0.075 0.000 1.276 74 S CA -0.690 57.549 58.200 0.065 0.000 0.998 74 S CB 1.889 65.121 63.200 0.053 0.000 0.953 74 S HN 0.134 nan 8.310 nan 0.000 0.547 75 I N 2.125 122.740 120.570 0.074 0.000 2.339 75 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 75 I C -0.357 175.816 176.117 0.094 0.000 0.994 75 I CA -0.855 60.477 61.300 0.053 0.000 1.191 75 I CB 1.166 39.161 38.000 -0.008 0.000 1.343 75 I HN 0.677 nan 8.210 nan 0.000 0.458 76 L N 9.100 130.400 121.223 0.128 0.000 2.361 76 L HA 0.322 4.662 4.340 -0.000 0.000 0.278 76 L C -0.504 176.391 176.870 0.041 0.000 1.113 76 L CA 0.321 55.277 54.840 0.192 0.000 0.849 76 L CB 0.730 42.950 42.059 0.270 0.000 1.155 76 L HN 0.298 nan 8.230 nan 0.000 0.452 77 V N 6.778 126.702 119.914 0.017 0.000 2.444 77 V HA 0.454 4.573 4.120 -0.000 0.000 0.294 77 V C -0.349 175.712 176.094 -0.056 0.000 1.022 77 V CA -0.593 61.678 62.300 -0.050 0.000 0.850 77 V CB 1.425 33.221 31.823 -0.046 0.000 0.992 77 V HN 0.540 nan 8.190 nan 0.000 0.426 78 L N 4.269 125.449 121.223 -0.072 0.000 2.329 78 L HA 0.958 5.298 4.340 -0.000 0.000 0.279 78 L C 0.200 177.079 176.870 0.015 0.000 1.014 78 L CA -0.053 54.748 54.840 -0.065 0.000 0.814 78 L CB 1.789 43.740 42.059 -0.181 0.000 1.257 78 L HN 0.849 nan 8.230 nan 0.000 0.424 79 A N 3.131 125.963 122.820 0.020 0.000 2.572 79 A HA 0.833 5.153 4.320 -0.000 0.000 0.295 79 A C -1.257 176.345 177.584 0.030 0.000 1.072 79 A CA -0.587 51.457 52.037 0.011 0.000 0.691 79 A CB 1.081 20.025 19.000 -0.093 0.000 1.291 79 A HN 0.550 nan 8.150 nan 0.000 0.404 80 L N 1.248 122.476 121.223 0.007 0.000 2.421 80 L HA 0.348 4.688 4.340 -0.000 0.000 0.263 80 L C 0.527 177.382 176.870 -0.025 0.000 1.122 80 L CA -0.869 53.979 54.840 0.013 0.000 0.804 80 L CB 0.573 42.617 42.059 -0.024 0.000 1.150 80 L HN 0.643 nan 8.230 nan 0.000 0.457 81 E N 1.886 122.063 120.200 -0.039 0.000 2.481 81 E HA -0.065 4.285 4.350 -0.000 0.000 0.263 81 E C -1.635 174.899 176.600 -0.110 0.000 0.992 81 E CA -1.064 55.303 56.400 -0.056 0.000 0.938 81 E CB 0.386 30.074 29.700 -0.020 0.000 0.933 81 E HN 0.335 nan 8.360 nan 0.000 0.453 82 P HA -0.205 nan 4.420 nan 0.000 0.217 82 P C 1.173 178.471 177.300 -0.003 0.000 1.148 82 P CA 1.483 64.572 63.100 -0.018 0.000 0.834 82 P CB -0.115 31.590 31.700 0.008 0.000 0.783 83 H N -0.890 118.184 119.070 0.007 0.000 2.524 83 H HA 0.045 4.601 4.556 -0.000 0.000 0.282 83 H C 1.268 176.606 175.328 0.017 0.000 1.016 83 H CA 0.653 56.706 56.048 0.008 0.000 1.270 83 H CB -0.868 28.899 29.762 0.009 0.000 1.394 83 H HN 0.194 nan 8.280 nan 0.000 0.568 84 L N 0.958 121.928 121.223 -0.421 0.000 2.611 84 L HA 0.164 4.504 4.340 -0.000 0.000 0.229 84 L C 0.397 177.222 176.870 -0.076 0.000 1.137 84 L CA 0.010 54.712 54.840 -0.231 0.000 0.901 84 L CB 0.100 41.997 42.059 -0.271 0.000 1.098 84 L HN 0.191 nan 8.230 nan 0.000 0.456 85 Q N -0.486 119.288 119.800 -0.043 0.000 2.204 85 Q HA 0.515 4.855 4.340 -0.000 0.000 0.254 85 Q C -0.461 175.538 176.000 -0.002 0.000 0.981 85 Q CA -0.294 55.515 55.803 0.010 0.000 0.897 85 Q CB 2.551 31.305 28.738 0.026 0.000 1.273 85 Q HN 0.021 nan 8.270 nan 0.000 0.464 86 S N -0.595 115.106 115.700 0.002 0.000 2.564 86 S HA 0.167 4.637 4.470 -0.000 0.000 0.274 86 S C -0.169 174.406 174.600 -0.043 0.000 1.124 86 S CA -0.470 57.701 58.200 -0.048 0.000 0.869 86 S CB 1.621 64.789 63.200 -0.054 0.000 1.105 86 S HN 0.675 nan 8.310 nan 0.000 0.472 87 Q N 0.851 120.502 119.800 -0.250 0.000 2.378 87 Q HA 0.141 4.481 4.340 -0.000 0.000 0.205 87 Q C -0.716 175.157 176.000 -0.211 0.000 0.954 87 Q CA 0.910 56.532 55.803 -0.301 0.000 0.901 87 Q CB 0.074 28.452 28.738 -0.600 0.000 0.981 87 Q HN 0.596 nan 8.270 nan 0.000 0.483 88 F N -0.792 119.190 119.950 0.054 0.000 2.523 88 F HA 0.260 4.787 4.527 -0.000 0.000 0.329 88 F C 0.505 175.863 175.800 -0.737 0.000 1.061 88 F CA -1.753 56.166 58.000 -0.135 0.000 0.967 88 F CB 0.487 39.426 39.000 -0.101 0.000 1.218 88 F HN -0.029 nan 8.300 nan 0.000 0.480 89 H N 4.281 122.720 119.070 -1.051 0.000 2.928 89 H HA 0.080 4.636 4.556 -0.000 0.000 0.338 89 H C -1.711 173.264 175.328 -0.587 0.000 1.047 89 H CA -1.006 54.181 56.048 -1.435 0.000 1.435 89 H CB 1.332 30.635 29.762 -0.764 0.000 1.428 89 H HN 0.335 nan 8.280 nan 0.000 0.590 90 P HA 0.068 nan 4.420 nan 0.000 0.257 90 P C -0.099 176.732 177.300 -0.782 0.000 1.281 90 P CA 0.090 62.573 63.100 -1.029 0.000 0.826 90 P CB 0.054 31.481 31.700 -0.456 0.000 1.237 91 F N -1.642 118.078 119.950 -0.384 0.000 2.517 91 F HA -0.224 4.303 4.527 -0.000 0.000 0.434 91 F C 0.886 176.527 175.800 -0.265 0.000 0.564 91 F CA 0.374 58.089 58.000 -0.476 0.000 1.414 91 F CB -1.422 36.870 39.000 -1.181 0.000 2.009 91 F HN 0.048 nan 8.300 nan 0.000 0.274 92 I N -1.908 118.630 120.570 -0.053 0.000 2.969 92 I HA 0.442 4.612 4.170 -0.000 0.000 0.307 92 I C 0.177 176.283 176.117 -0.018 0.000 1.149 92 I CA -1.079 60.228 61.300 0.013 0.000 1.008 92 I CB 2.121 40.170 38.000 0.082 0.000 1.232 92 I HN 0.048 nan 8.210 nan 0.000 0.435 93 K N 3.172 123.569 120.400 -0.005 0.000 2.374 93 K HA 0.399 4.719 4.320 -0.000 0.000 0.196 93 K C 0.313 176.918 176.600 0.009 0.000 1.023 93 K CA 0.155 56.443 56.287 0.000 0.000 1.103 93 K CB 0.185 32.692 32.500 0.011 0.000 0.848 93 K HN 0.671 nan 8.250 nan 0.000 0.528 94 I N -2.279 118.296 120.570 0.009 0.000 2.525 94 I HA 0.265 4.435 4.170 -0.000 0.000 0.301 94 I C 1.092 177.219 176.117 0.017 0.000 0.992 94 I CA -0.771 60.540 61.300 0.018 0.000 1.162 94 I CB 1.877 39.890 38.000 0.022 0.000 1.332 94 I HN -0.142 nan 8.210 nan 0.000 0.458 95 T N 0.134 114.701 114.554 0.022 0.000 3.057 95 T HA 0.158 4.508 4.350 -0.000 0.000 0.254 95 T C 0.762 175.480 174.700 0.030 0.000 1.094 95 T CA 0.098 62.212 62.100 0.024 0.000 1.088 95 T CB -0.161 68.721 68.868 0.024 0.000 0.934 95 T HN 0.710 nan 8.240 nan 0.000 0.497 96 Q N 1.689 121.508 119.800 0.033 0.000 2.392 96 Q HA 0.638 4.978 4.340 -0.000 0.000 0.262 96 Q C 0.115 176.137 176.000 0.037 0.000 1.003 96 Q CA 0.066 55.893 55.803 0.040 0.000 0.888 96 Q CB 0.612 29.378 28.738 0.048 0.000 1.260 96 Q HN 0.567 nan 8.270 nan 0.000 0.435 97 A N 2.492 125.340 122.820 0.048 0.000 2.386 97 A HA 0.369 4.689 4.320 -0.000 0.000 0.248 97 A C 0.367 177.976 177.584 0.042 0.000 1.082 97 A CA -0.314 51.755 52.037 0.053 0.000 0.789 97 A CB 0.080 19.129 19.000 0.082 0.000 1.025 97 A HN 0.969 nan 8.150 nan 0.000 0.490 98 M N -0.107 119.495 119.600 0.004 0.000 2.347 98 M HA 0.451 4.931 4.480 -0.000 0.000 0.302 98 M C -0.670 175.697 176.300 0.113 0.000 1.051 98 M CA 0.194 55.447 55.300 -0.079 0.000 0.988 98 M CB 0.340 32.635 32.600 -0.509 0.000 1.475 98 M HN 0.629 nan 8.290 nan 0.000 0.530 99 Y N 0.379 120.706 120.300 0.045 0.000 2.333 99 Y HA 0.621 5.171 4.550 -0.000 0.000 0.319 99 Y C -1.077 174.929 175.900 0.178 0.000 1.200 99 Y CA -0.752 57.434 58.100 0.143 0.000 1.084 99 Y CB 1.217 39.730 38.460 0.089 0.000 1.268 99 Y HN 0.195 nan 8.280 nan 0.000 0.422 100 G N 1.526 110.231 108.800 -0.158 0.000 3.108 100 G HA2 0.446 4.406 3.960 -0.000 0.000 0.268 100 G HA3 0.446 4.406 3.960 -0.000 0.000 0.268 100 G C 0.656 175.424 174.900 -0.220 0.000 1.361 100 G CA -0.494 44.569 45.100 -0.061 0.000 1.047 100 G HN 1.086 nan 8.290 nan 0.000 0.540 101 G N -0.544 108.085 108.800 -0.285 0.000 2.442 101 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 101 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 101 G C 1.693 176.425 174.900 -0.279 0.000 1.141 101 G CA 0.887 45.707 45.100 -0.466 0.000 0.763 101 G HN 0.381 nan 8.290 nan 0.000 0.554 102 L N -0.005 121.095 121.223 -0.205 0.000 2.131 102 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 102 L C 3.050 179.816 176.870 -0.174 0.000 1.092 102 L CA 0.662 55.405 54.840 -0.161 0.000 0.759 102 L CB -0.328 41.656 42.059 -0.126 0.000 0.903 102 L HN 0.170 nan 8.230 nan 0.000 0.435 103 M N -1.000 118.449 119.600 -0.251 0.000 2.132 103 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 103 M C 2.496 178.726 176.300 -0.116 0.000 1.065 103 M CA 1.417 56.574 55.300 -0.239 0.000 1.122 103 M CB -1.131 31.203 32.600 -0.445 0.000 1.365 103 M HN 0.107 nan 8.290 nan 0.000 0.411 104 S N 0.388 116.024 115.700 -0.107 0.000 2.399 104 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 104 S C 1.966 176.476 174.600 -0.150 0.000 1.022 104 S CA 1.638 59.877 58.200 0.065 0.000 0.983 104 S CB -0.310 63.109 63.200 0.365 0.000 0.803 104 S HN 0.513 nan 8.310 nan 0.000 0.480 105 T N 1.580 116.065 114.554 -0.116 0.000 2.708 105 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 105 T C 1.946 176.608 174.700 -0.064 0.000 1.037 105 T CA 1.430 63.474 62.100 -0.094 0.000 1.146 105 T CB -0.204 68.609 68.868 -0.091 0.000 0.865 105 T HN 0.219 nan 8.240 nan 0.000 0.435 106 R N 1.797 122.254 120.500 -0.070 0.000 2.066 106 R HA 0.173 4.513 4.340 -0.000 0.000 0.232 106 R C 2.429 178.737 176.300 0.013 0.000 1.131 106 R CA 1.666 57.744 56.100 -0.036 0.000 0.955 106 R CB -1.088 29.167 30.300 -0.075 0.000 0.851 106 R HN 0.314 nan 8.270 nan 0.000 0.432 107 A N 0.390 123.201 122.820 -0.015 0.000 1.940 107 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 107 A C 2.165 179.702 177.584 -0.079 0.000 1.176 107 A CA 1.772 53.811 52.037 0.003 0.000 0.631 107 A CB -0.698 18.376 19.000 0.124 0.000 0.814 107 A HN 0.610 nan 8.150 nan 0.000 0.446 108 Q N -2.062 117.576 119.800 -0.271 0.000 2.079 108 Q HA -0.222 4.118 4.340 -0.000 0.000 0.200 108 Q C 1.933 177.916 176.000 -0.028 0.000 0.974 108 Q CA 1.796 57.477 55.803 -0.202 0.000 0.840 108 Q CB -0.333 28.250 28.738 -0.257 0.000 0.898 108 Q HN 0.755 nan 8.270 nan 0.000 0.430 109 Y N 0.734 120.979 120.300 -0.092 0.000 2.151 109 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 109 Y C 1.545 177.420 175.900 -0.041 0.000 1.166 109 Y CA 1.634 59.700 58.100 -0.056 0.000 1.163 109 Y CB 0.025 38.450 38.460 -0.059 0.000 0.974 109 Y HN 0.132 nan 8.280 nan 0.000 0.511 110 L N 0.405 121.682 121.223 0.091 0.000 2.599 110 L HA -0.040 4.300 4.340 -0.000 0.000 0.230 110 L C 0.684 177.542 176.870 -0.021 0.000 1.141 110 L CA 0.715 55.575 54.840 0.033 0.000 0.877 110 L CB -0.296 41.794 42.059 0.051 0.000 1.009 110 L HN 0.184 nan 8.230 nan 0.000 0.447 111 K N -0.732 119.654 120.400 -0.023 0.000 3.291 111 K HA -0.154 4.166 4.320 -0.000 0.000 0.290 111 K C 0.454 177.082 176.600 0.048 0.000 1.235 111 K CA 0.415 56.701 56.287 -0.002 0.000 0.848 111 K CB -1.869 30.609 32.500 -0.037 0.000 1.295 111 K HN 0.278 nan 8.250 nan 0.000 0.497 112 S N 0.536 116.289 115.700 0.088 0.000 2.572 112 S HA 0.145 4.615 4.470 -0.000 0.000 0.279 112 S C 1.159 175.882 174.600 0.204 0.000 1.341 112 S CA -0.406 57.877 58.200 0.138 0.000 1.043 112 S CB 0.581 63.893 63.200 0.187 0.000 0.887 112 S HN 0.258 nan 8.310 nan 0.000 0.516 113 N N 1.981 120.754 118.700 0.123 0.000 2.446 113 N HA 0.233 4.973 4.740 -0.000 0.000 0.179 113 N C 0.631 176.132 175.510 -0.015 0.000 1.054 113 N CA 0.816 53.908 53.050 0.070 0.000 0.905 113 N CB 0.240 38.749 38.487 0.036 0.000 0.973 113 N HN 0.775 nan 8.380 nan 0.000 0.448 114 G N -1.606 107.184 108.800 -0.017 0.000 2.320 114 G HA2 0.251 4.211 3.960 -0.000 0.000 0.297 114 G HA3 0.251 4.211 3.960 -0.000 0.000 0.297 114 G C -1.649 173.241 174.900 -0.018 0.000 1.344 114 G CA -0.710 44.276 45.100 -0.189 0.000 0.851 114 G HN -0.047 nan 8.290 nan 0.000 0.567 115 T N -0.346 114.174 114.554 -0.056 0.000 2.876 115 T HA 0.653 5.002 4.350 -0.000 0.000 0.289 115 T C -0.728 173.879 174.700 -0.154 0.000 1.014 115 T CA -0.497 61.546 62.100 -0.094 0.000 0.986 115 T CB 2.001 70.747 68.868 -0.203 0.000 1.021 115 T HN 0.819 nan 8.240 nan 0.000 0.458 116 V N 3.142 122.914 119.914 -0.235 0.000 2.407 116 V HA 0.482 4.601 4.120 -0.000 0.000 0.291 116 V C -0.491 175.333 176.094 -0.449 0.000 1.018 116 V CA -0.736 61.351 62.300 -0.355 0.000 0.842 116 V CB 1.672 33.238 31.823 -0.428 0.000 0.996 116 V HN 0.742 nan 8.190 nan 0.000 0.426 117 V N 5.380 124.980 119.914 -0.524 0.000 2.357 117 V HA 0.411 4.531 4.120 -0.000 0.000 0.284 117 V C -0.244 175.475 176.094 -0.625 0.000 1.018 117 V CA -0.405 61.610 62.300 -0.474 0.000 0.841 117 V CB 1.301 32.883 31.823 -0.401 0.000 0.991 117 V HN 0.742 nan 8.190 nan 0.000 0.437 118 F N 4.531 124.212 119.950 -0.448 0.000 2.666 118 F HA 0.596 5.123 4.527 -0.000 0.000 0.362 118 F C 1.215 176.869 175.800 -0.244 0.000 1.190 118 F CA 0.572 58.199 58.000 -0.622 0.000 1.328 118 F CB 0.105 38.865 39.000 -0.400 0.000 1.682 118 F HN 0.729 nan 8.300 nan 0.000 0.623 119 G N 0.499 109.256 108.800 -0.071 0.000 2.356 119 G HA2 0.378 4.338 3.960 -0.000 0.000 0.281 119 G HA3 0.378 4.338 3.960 -0.000 0.000 0.281 119 G C -1.352 173.572 174.900 0.041 0.000 1.246 119 G CA -1.245 43.910 45.100 0.092 0.000 0.889 119 G HN 0.121 nan 8.290 nan 0.000 0.486 120 R N -0.286 120.224 120.500 0.017 0.000 2.604 120 R HA 0.703 5.043 4.340 -0.000 0.000 0.287 120 R C -0.032 176.287 176.300 0.031 0.000 0.970 120 R CA -0.623 55.496 56.100 0.031 0.000 0.946 120 R CB 1.910 32.236 30.300 0.043 0.000 1.127 120 R HN 0.702 nan 8.270 nan 0.000 0.473 121 I N -1.398 119.205 120.570 0.055 0.000 2.750 121 I HA 0.637 4.807 4.170 -0.000 0.000 0.308 121 I C -0.304 175.902 176.117 0.148 0.000 1.016 121 I CA -1.202 60.178 61.300 0.132 0.000 1.098 121 I CB 1.933 39.993 38.000 0.099 0.000 1.279 121 I HN 0.636 nan 8.210 nan 0.000 0.454 122 R N 1.507 122.130 120.500 0.206 0.000 2.919 122 R HA 0.517 4.857 4.340 -0.000 0.000 0.260 122 R C -1.226 175.207 176.300 0.222 0.000 1.067 122 R CA -0.506 55.694 56.100 0.168 0.000 1.003 122 R CB 1.088 31.449 30.300 0.102 0.000 1.192 122 R HN 0.745 nan 8.270 nan 0.000 0.488 123 D N 0.277 120.747 120.400 0.117 0.000 2.737 123 D HA -0.121 4.519 4.640 -0.000 0.000 0.243 123 D C 1.059 177.424 176.300 0.109 0.000 1.109 123 D CA 0.687 54.710 54.000 0.038 0.000 0.702 123 D CB -1.485 39.256 40.800 -0.099 0.000 1.068 123 D HN 0.392 nan 8.370 nan 0.000 0.432 124 V N 0.401 120.421 119.914 0.178 0.000 2.250 124 V HA -0.313 3.806 4.120 -0.000 0.000 0.250 124 V C 2.161 178.349 176.094 0.156 0.000 1.060 124 V CA 2.348 64.778 62.300 0.218 0.000 1.030 124 V CB -0.105 31.788 31.823 0.116 0.000 0.643 124 V HN 0.304 nan 8.190 nan 0.000 0.445 125 D N -0.888 119.553 120.400 0.068 0.000 2.178 125 D HA -0.148 4.492 4.640 -0.000 0.000 0.202 125 D C 2.165 178.470 176.300 0.008 0.000 0.974 125 D CA 1.164 55.186 54.000 0.037 0.000 0.841 125 D CB -0.112 40.699 40.800 0.018 0.000 0.953 125 D HN 0.507 nan 8.370 nan 0.000 0.478 126 E N 0.495 120.662 120.200 -0.054 0.000 2.047 126 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 126 E C 1.775 178.303 176.600 -0.120 0.000 0.987 126 E CA 1.303 57.624 56.400 -0.130 0.000 0.799 126 E CB -0.210 29.352 29.700 -0.229 0.000 0.752 126 E HN 0.461 nan 8.360 nan 0.000 0.449 127 H N -0.538 118.567 119.070 0.059 0.000 2.352 127 H HA 0.004 4.560 4.556 -0.000 0.000 0.299 127 H C 2.184 177.560 175.328 0.080 0.000 1.097 127 H CA 1.808 57.916 56.048 0.100 0.000 1.311 127 H CB -0.015 29.823 29.762 0.127 0.000 1.377 127 H HN 0.057 nan 8.280 nan 0.000 0.504 128 R N -0.243 120.354 120.500 0.162 0.000 2.075 128 R HA -0.070 4.269 4.340 -0.000 0.000 0.232 128 R C 2.191 178.530 176.300 0.065 0.000 1.126 128 R CA 1.679 57.835 56.100 0.093 0.000 0.963 128 R CB -0.263 30.076 30.300 0.064 0.000 0.858 128 R HN 0.273 nan 8.270 nan 0.000 0.435 129 T N 1.688 116.270 114.554 0.046 0.000 2.746 129 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 129 T C 1.782 176.505 174.700 0.039 0.000 1.039 129 T CA 1.008 63.126 62.100 0.029 0.000 1.142 129 T CB -0.101 68.772 68.868 0.008 0.000 0.866 129 T HN 0.134 nan 8.240 nan 0.000 0.444 130 L N 0.901 122.157 121.223 0.054 0.000 2.362 130 L HA 0.017 4.357 4.340 -0.000 0.000 0.219 130 L C 0.669 177.605 176.870 0.109 0.000 1.134 130 L CA 0.306 55.190 54.840 0.074 0.000 0.807 130 L CB -0.609 41.501 42.059 0.085 0.000 0.927 130 L HN 0.289 nan 8.230 nan 0.000 0.447 131 N N -0.300 118.465 118.700 0.109 0.000 2.735 131 N HA -0.243 4.496 4.740 -0.000 0.000 0.248 131 N C -0.111 175.491 175.510 0.152 0.000 1.083 131 N CA 0.759 53.869 53.050 0.100 0.000 0.703 131 N CB -1.627 36.902 38.487 0.069 0.000 1.005 131 N HN 0.439 nan 8.380 nan 0.000 0.550 132 H N 0.683 119.807 119.070 0.090 0.000 2.594 132 H HA 0.398 4.954 4.556 -0.000 0.000 0.304 132 H C -2.332 173.059 175.328 0.105 0.000 1.068 132 H CA -1.664 54.452 56.048 0.113 0.000 1.308 132 H CB 0.971 30.831 29.762 0.163 0.000 1.409 132 H HN -0.013 nan 8.280 nan 0.000 0.460 133 P HA 0.075 nan 4.420 nan 0.000 0.271 133 P C -1.058 176.123 177.300 -0.199 0.000 1.220 133 P CA -0.074 62.903 63.100 -0.204 0.000 0.768 133 P CB 0.863 32.496 31.700 -0.112 0.000 0.848 134 V N 4.779 124.590 119.914 -0.172 0.000 2.668 134 V HA 0.415 4.535 4.120 -0.000 0.000 0.304 134 V C -0.586 175.352 176.094 -0.259 0.000 1.071 134 V CA -0.385 61.817 62.300 -0.163 0.000 0.894 134 V CB 1.364 33.048 31.823 -0.232 0.000 1.008 134 V HN 0.349 nan 8.190 nan 0.000 0.425 135 F N 2.808 122.607 119.950 -0.253 0.000 2.443 135 F HA 0.892 5.419 4.527 -0.000 0.000 0.335 135 F C 0.500 176.095 175.800 -0.342 0.000 1.104 135 F CA -0.304 57.543 58.000 -0.255 0.000 1.013 135 F CB 2.130 40.965 39.000 -0.274 0.000 1.136 135 F HN 0.674 nan 8.300 nan 0.000 0.470 136 A N 1.723 124.466 122.820 -0.127 0.000 2.602 136 A HA 0.507 4.827 4.320 -0.000 0.000 0.290 136 A C -0.838 176.700 177.584 -0.077 0.000 1.114 136 A CA -0.624 51.286 52.037 -0.211 0.000 0.683 136 A CB 0.476 19.384 19.000 -0.152 0.000 1.281 136 A HN 0.615 nan 8.150 nan 0.000 0.416 137 Y N 0.496 120.744 120.300 -0.086 0.000 2.293 137 Y HA 0.292 4.842 4.550 -0.000 0.000 0.291 137 Y C 1.704 177.623 175.900 0.032 0.000 1.137 137 Y CA 1.256 59.361 58.100 0.010 0.000 1.202 137 Y CB -0.208 38.290 38.460 0.064 0.000 0.990 137 Y HN 1.107 nan 8.280 nan 0.000 0.537 138 G N -1.667 107.227 108.800 0.157 0.000 2.427 138 G HA2 0.457 4.417 3.960 -0.000 0.000 0.306 138 G HA3 0.457 4.417 3.960 -0.000 0.000 0.306 138 G C -1.659 173.282 174.900 0.069 0.000 1.280 138 G CA -0.229 44.936 45.100 0.109 0.000 0.837 138 G HN 0.187 nan 8.290 nan 0.000 0.482 139 V N -2.462 117.493 119.914 0.068 0.000 3.113 139 V HA 1.086 5.206 4.120 -0.000 0.000 0.316 139 V C 0.327 176.457 176.094 0.060 0.000 1.125 139 V CA 0.062 62.400 62.300 0.063 0.000 1.026 139 V CB 1.488 33.349 31.823 0.064 0.000 1.080 139 V HN 2.181 nan 8.190 nan 0.000 0.444 140 G N 0.008 108.846 108.800 0.063 0.000 2.682 140 G HA2 0.566 4.526 3.960 -0.000 0.000 0.290 140 G HA3 0.566 4.526 3.960 -0.000 0.000 0.290 140 G C 0.032 174.966 174.900 0.057 0.000 1.425 140 G CA 0.079 45.212 45.100 0.056 0.000 0.807 140 G HN 1.652 nan 8.290 nan 0.000 0.482 141 S N -2.354 113.375 115.700 0.048 0.000 2.526 141 S HA 0.224 4.694 4.470 -0.000 0.000 0.220 141 S C 0.604 175.228 174.600 0.041 0.000 1.017 141 S CA 0.073 58.299 58.200 0.043 0.000 0.930 141 S CB -0.059 63.162 63.200 0.034 0.000 0.856 141 S HN 0.835 nan 8.310 nan 0.000 0.497 142 C N 2.688 122.015 119.300 0.044 0.000 2.411 142 C HA 0.857 5.317 4.460 -0.000 0.000 0.330 142 C C 0.815 175.836 174.990 0.052 0.000 1.224 142 C CA -0.646 58.398 59.018 0.042 0.000 1.770 142 C CB 0.312 28.076 27.740 0.039 0.000 2.297 142 C HN 0.704 nan 8.230 nan 0.000 0.507 143 A N 6.625 129.476 122.820 0.051 0.000 2.466 143 A HA 0.430 4.750 4.320 -0.000 0.000 0.238 143 A C -1.346 176.283 177.584 0.076 0.000 1.074 143 A CA -0.531 51.545 52.037 0.065 0.000 0.774 143 A CB 0.011 19.045 19.000 0.058 0.000 1.015 143 A HN 0.810 nan 8.150 nan 0.000 0.498 144 P HA 0.006 nan 4.420 nan 0.000 0.249 144 P C 0.996 178.365 177.300 0.115 0.000 1.229 144 P CA 0.413 63.584 63.100 0.118 0.000 0.788 144 P CB 0.087 31.895 31.700 0.181 0.000 1.072 145 K N 1.686 122.144 120.400 0.096 0.000 2.097 145 K HA -0.232 4.088 4.320 -0.000 0.000 0.214 145 K C 1.904 178.545 176.600 0.068 0.000 1.052 145 K CA 2.241 58.575 56.287 0.078 0.000 0.932 145 K CB -0.756 31.779 32.500 0.059 0.000 0.716 145 K HN 0.038 nan 8.250 nan 0.000 0.455 146 A N -0.196 122.660 122.820 0.061 0.000 2.167 146 A HA 0.032 4.352 4.320 -0.000 0.000 0.214 146 A C 1.860 179.480 177.584 0.059 0.000 1.151 146 A CA 1.260 53.329 52.037 0.053 0.000 0.735 146 A CB -0.101 18.925 19.000 0.044 0.000 0.802 146 A HN 0.333 nan 8.150 nan 0.000 0.467 147 V N -3.859 116.099 119.914 0.074 0.000 3.103 147 V HA 0.409 4.529 4.120 -0.000 0.000 0.229 147 V C 0.593 176.747 176.094 0.100 0.000 1.304 147 V CA 0.532 62.879 62.300 0.078 0.000 1.298 147 V CB -0.290 31.574 31.823 0.069 0.000 1.093 147 V HN 0.585 nan 8.190 nan 0.000 0.489 148 V N -0.185 119.811 119.914 0.136 0.000 3.130 148 V HA 0.837 4.957 4.120 -0.000 0.000 0.310 148 V C -1.145 175.089 176.094 0.234 0.000 1.158 148 V CA -0.651 61.765 62.300 0.193 0.000 1.029 148 V CB 1.881 33.852 31.823 0.246 0.000 1.057 148 V HN 0.900 nan 8.190 nan 0.000 0.436 149 K N 1.696 122.207 120.400 0.185 0.000 2.532 149 K HA 0.901 5.221 4.320 -0.000 0.000 0.265 149 K C -0.695 175.675 176.600 -0.383 0.000 0.948 149 K CA -0.449 55.839 56.287 0.001 0.000 0.842 149 K CB 2.387 34.878 32.500 -0.014 0.000 1.392 149 K HN 1.417 nan 8.250 nan 0.000 0.436 150 A N 1.300 123.638 122.820 -0.802 0.000 2.409 150 A HA 0.387 4.707 4.320 -0.000 0.000 0.262 150 A C 0.704 178.052 177.584 -0.392 0.000 1.113 150 A CA -0.205 51.204 52.037 -1.047 0.000 0.790 150 A CB 0.150 18.634 19.000 -0.861 0.000 1.046 150 A HN 0.943 nan 8.150 nan 0.000 0.496 151 V N 0.236 119.978 119.914 -0.287 0.000 3.548 151 V HA 0.629 4.749 4.120 -0.000 0.000 0.279 151 V C 0.598 176.628 176.094 -0.106 0.000 1.446 151 V CA 0.581 62.797 62.300 -0.139 0.000 1.023 151 V CB -0.254 31.519 31.823 -0.082 0.000 0.820 151 V HN 1.388 nan 8.190 nan 0.000 0.438 152 G N 0.375 109.097 108.800 -0.131 0.000 2.698 152 G HA2 0.604 4.564 3.960 -0.000 0.000 0.293 152 G HA3 0.604 4.564 3.960 -0.000 0.000 0.293 152 G C -0.899 173.916 174.900 -0.141 0.000 1.437 152 G CA 0.124 45.162 45.100 -0.104 0.000 0.852 152 G HN 0.569 nan 8.290 nan 0.000 0.499 153 T N -1.201 113.271 114.554 -0.136 0.000 2.876 153 T HA 0.536 4.886 4.350 -0.000 0.000 0.289 153 T C 0.173 174.740 174.700 -0.222 0.000 1.014 153 T CA -0.665 61.290 62.100 -0.242 0.000 0.986 153 T CB 1.751 70.486 68.868 -0.223 0.000 1.021 153 T HN 0.791 nan 8.240 nan 0.000 0.458 154 N N -0.471 118.040 118.700 -0.314 0.000 2.735 154 N HA -0.133 4.607 4.740 -0.000 0.000 0.248 154 N C 0.094 175.532 175.510 -0.120 0.000 1.083 154 N CA 1.104 54.041 53.050 -0.188 0.000 0.703 154 N CB -1.934 36.493 38.487 -0.100 0.000 1.005 154 N HN 1.075 nan 8.380 nan 0.000 0.550 155 V N -3.011 116.825 119.914 -0.129 0.000 2.975 155 V HA 0.489 4.608 4.120 -0.000 0.000 0.318 155 V C 0.854 176.890 176.094 -0.097 0.000 1.077 155 V CA -1.010 61.233 62.300 -0.095 0.000 1.000 155 V CB 1.950 33.723 31.823 -0.084 0.000 1.066 155 V HN 0.205 nan 8.190 nan 0.000 0.452 156 Q N 0.993 120.746 119.800 -0.078 0.000 2.330 156 Q HA 0.367 4.707 4.340 -0.000 0.000 0.279 156 Q C -1.123 174.823 176.000 -0.089 0.000 1.024 156 Q CA -0.076 55.679 55.803 -0.080 0.000 0.900 156 Q CB 0.610 29.311 28.738 -0.061 0.000 1.221 156 Q HN 0.743 nan 8.270 nan 0.000 0.396 157 L N 4.162 125.318 121.223 -0.113 0.000 2.309 157 L HA 0.491 4.830 4.340 -0.000 0.000 0.282 157 L C -0.291 176.502 176.870 -0.128 0.000 1.036 157 L CA -0.656 54.103 54.840 -0.135 0.000 0.806 157 L CB 1.471 43.414 42.059 -0.194 0.000 1.220 157 L HN 0.524 nan 8.230 nan 0.000 0.429 158 K N 4.234 124.564 120.400 -0.116 0.000 2.307 158 K HA 0.538 4.858 4.320 -0.000 0.000 0.263 158 K C -1.162 175.358 176.600 -0.133 0.000 0.973 158 K CA -0.727 55.505 56.287 -0.093 0.000 0.846 158 K CB 2.172 34.636 32.500 -0.058 0.000 1.100 158 K HN 0.335 nan 8.250 nan 0.000 0.438 159 I N 4.388 124.879 120.570 -0.132 0.000 2.355 159 I HA 0.154 4.324 4.170 -0.000 0.000 0.288 159 I C -0.251 175.810 176.117 -0.094 0.000 0.999 159 I CA -1.116 60.080 61.300 -0.173 0.000 1.163 159 I CB 0.894 38.734 38.000 -0.266 0.000 1.316 159 I HN 0.474 nan 8.210 nan 0.000 0.454 160 L N 8.434 129.620 121.223 -0.061 0.000 2.385 160 L HA 0.314 4.653 4.340 -0.000 0.000 0.281 160 L C 0.770 177.609 176.870 -0.051 0.000 1.106 160 L CA 0.467 55.274 54.840 -0.055 0.000 0.856 160 L CB 0.263 42.300 42.059 -0.037 0.000 1.186 160 L HN 0.815 nan 8.230 nan 0.000 0.453 161 T N 0.638 115.136 114.554 -0.093 0.000 2.912 161 T HA 0.361 4.711 4.350 -0.000 0.000 0.280 161 T C 1.123 175.772 174.700 -0.085 0.000 0.989 161 T CA -0.116 61.919 62.100 -0.108 0.000 0.995 161 T CB 1.106 69.863 68.868 -0.185 0.000 1.077 161 T HN 0.673 nan 8.240 nan 0.000 0.531 162 S N -0.589 115.067 115.700 -0.073 0.000 2.607 162 S HA -0.037 4.433 4.470 -0.000 0.000 0.224 162 S C 1.057 175.660 174.600 0.006 0.000 0.969 162 S CA 0.493 58.692 58.200 -0.001 0.000 0.927 162 S CB -0.676 62.581 63.200 0.095 0.000 0.772 162 S HN 0.884 nan 8.310 nan 0.000 0.533 163 D N 0.213 120.601 120.400 -0.020 0.000 2.339 163 D HA 0.251 4.890 4.640 -0.000 0.000 0.217 163 D C 1.425 177.706 176.300 -0.031 0.000 1.050 163 D CA 0.570 54.564 54.000 -0.010 0.000 0.856 163 D CB -0.541 40.254 40.800 -0.009 0.000 0.922 163 D HN 0.500 nan 8.370 nan 0.000 0.518 164 G N -0.640 108.126 108.800 -0.057 0.000 2.195 164 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.246 164 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.246 164 G C 0.099 174.962 174.900 -0.062 0.000 0.984 164 G CA 0.184 45.245 45.100 -0.065 0.000 0.633 164 G HN 0.381 nan 8.290 nan 0.000 0.525 165 V N 1.639 121.512 119.914 -0.069 0.000 2.509 165 V HA 0.597 4.717 4.120 -0.000 0.000 0.284 165 V C 0.723 176.760 176.094 -0.095 0.000 1.047 165 V CA 0.073 62.329 62.300 -0.074 0.000 0.952 165 V CB 1.653 33.430 31.823 -0.077 0.000 0.988 165 V HN 0.253 nan 8.190 nan 0.000 0.469 166 T N 5.437 119.944 114.554 -0.079 0.000 2.743 166 T HA 0.377 4.727 4.350 -0.000 0.000 0.293 166 T C -0.276 174.372 174.700 -0.087 0.000 0.945 166 T CA -0.449 61.603 62.100 -0.080 0.000 1.030 166 T CB 0.613 69.449 68.868 -0.054 0.000 0.912 166 T HN 0.588 nan 8.240 nan 0.000 0.483 167 Q N 2.145 121.879 119.800 -0.109 0.000 2.301 167 Q HA 0.572 4.912 4.340 -0.000 0.000 0.267 167 Q C 0.013 176.058 176.000 0.075 0.000 1.035 167 Q CA -0.756 54.997 55.803 -0.083 0.000 0.856 167 Q CB 2.072 30.593 28.738 -0.362 0.000 1.337 167 Q HN 0.801 nan 8.270 nan 0.000 0.450 168 T N -1.430 113.191 114.554 0.111 0.000 2.912 168 T HA 0.859 5.209 4.350 -0.000 0.000 0.288 168 T C 0.294 175.024 174.700 0.049 0.000 1.030 168 T CA -0.579 61.551 62.100 0.050 0.000 1.020 168 T CB 1.071 69.936 68.868 -0.004 0.000 1.056 168 T HN 0.449 nan 8.240 nan 0.000 0.480 172 G N 1.243 109.988 108.800 -0.092 0.000 2.225 172 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.254 172 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.254 172 G C -0.001 174.721 174.900 -0.297 0.000 0.988 172 G CA 0.409 45.411 45.100 -0.163 0.000 0.625 172 G HN 0.777 nan 8.290 nan 0.000 0.527 173 D N 0.016 120.282 120.400 -0.223 0.000 2.400 173 D HA 0.384 5.024 4.640 -0.000 0.000 0.238 173 D C 0.345 176.502 176.300 -0.239 0.000 1.157 173 D CA 0.303 54.160 54.000 -0.239 0.000 0.889 173 D CB 0.207 40.926 40.800 -0.136 0.000 1.199 173 D HN 0.197 nan 8.370 nan 0.000 0.436 174 Y N 0.758 121.041 120.300 -0.028 0.000 2.316 174 Y HA 0.261 4.811 4.550 -0.000 0.000 0.331 174 Y C 0.449 176.324 175.900 -0.041 0.000 1.083 174 Y CA -0.469 57.617 58.100 -0.024 0.000 1.206 174 Y CB 0.689 39.147 38.460 -0.004 0.000 1.195 174 Y HN 0.043 nan 8.280 nan 0.000 0.497 175 I N 3.150 123.788 120.570 0.112 0.000 2.433 175 I HA 0.622 4.792 4.170 -0.000 0.000 0.292 175 I C -0.185 175.922 176.117 -0.017 0.000 1.001 175 I CA -1.062 60.234 61.300 -0.007 0.000 1.119 175 I CB 1.153 39.104 38.000 -0.082 0.000 1.289 175 I HN 0.637 nan 8.210 nan 0.000 0.438 176 A N 4.232 127.025 122.820 -0.045 0.000 2.386 176 A HA 0.940 5.260 4.320 -0.000 0.000 0.311 176 A C -0.197 177.290 177.584 -0.162 0.000 1.068 176 A CA -0.512 51.489 52.037 -0.059 0.000 0.743 176 A CB 1.880 20.889 19.000 0.014 0.000 1.258 176 A HN 0.858 nan 8.150 nan 0.000 0.429 177 G N 0.994 109.666 108.800 -0.213 0.000 2.638 177 G HA2 0.673 4.633 3.960 -0.000 0.000 0.302 177 G HA3 0.673 4.633 3.960 -0.000 0.000 0.302 177 G C -1.332 173.542 174.900 -0.042 0.000 1.365 177 G CA -0.100 44.747 45.100 -0.422 0.000 0.987 177 G HN 1.025 nan 8.290 nan 0.000 0.495 178 D N -0.741 119.728 120.400 0.114 0.000 3.103 178 D HA 0.177 4.817 4.640 -0.000 0.000 0.337 178 D C 0.338 176.822 176.300 0.306 0.000 1.356 178 D CA -0.710 53.440 54.000 0.250 0.000 0.951 178 D CB 0.070 40.950 40.800 0.134 0.000 1.438 178 D HN 0.119 nan 8.370 nan 0.000 0.562 179 N N -0.548 118.265 118.700 0.188 0.000 2.550 179 N HA 0.003 4.743 4.740 -0.000 0.000 0.186 179 N C 0.343 175.948 175.510 0.159 0.000 1.110 179 N CA 0.320 53.464 53.050 0.157 0.000 0.912 179 N CB -0.348 38.192 38.487 0.089 0.000 0.968 179 N HN 0.326 nan 8.380 nan 0.000 0.448 180 N N 0.088 118.884 118.700 0.161 0.000 2.353 180 N HA 0.096 4.836 4.740 -0.000 0.000 0.185 180 N C 1.179 176.854 175.510 0.274 0.000 1.098 180 N CA 0.565 53.702 53.050 0.145 0.000 0.872 180 N CB 1.252 39.777 38.487 0.063 0.000 0.970 180 N HN 0.204 nan 8.380 nan 0.000 0.467 181 G N 0.941 109.922 108.800 0.301 0.000 2.378 181 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.198 181 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.198 181 G C -1.474 173.464 174.900 0.064 0.000 1.223 181 G CA -0.767 44.505 45.100 0.287 0.000 1.088 181 G HN -0.007 nan 8.290 nan 0.000 0.530 182 I N 0.750 121.290 120.570 -0.051 0.000 2.441 182 I HA 0.713 4.883 4.170 -0.000 0.000 0.295 182 I C 0.302 176.454 176.117 0.059 0.000 0.994 182 I CA -0.924 60.271 61.300 -0.174 0.000 1.144 182 I CB 1.075 38.874 38.000 -0.334 0.000 1.314 182 I HN 0.496 nan 8.210 nan 0.000 0.445 183 V N 6.157 126.122 119.914 0.086 0.000 2.876 183 V HA 0.585 4.705 4.120 -0.000 0.000 0.312 183 V C -0.123 176.039 176.094 0.112 0.000 1.085 183 V CA -0.860 61.562 62.300 0.203 0.000 0.945 183 V CB 3.085 35.032 31.823 0.207 0.000 1.017 183 V HN 0.669 nan 8.190 nan 0.000 0.428 184 R N 3.524 124.129 120.500 0.175 0.000 2.534 184 R HA 0.601 4.941 4.340 -0.000 0.000 0.301 184 R C -1.597 174.776 176.300 0.121 0.000 0.961 184 R CA -0.606 55.543 56.100 0.082 0.000 0.871 184 R CB 1.598 31.884 30.300 -0.023 0.000 1.170 184 R HN 0.728 nan 8.270 nan 0.000 0.446 185 I N 6.684 127.316 120.570 0.105 0.000 2.312 185 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 185 I C -1.913 174.222 176.117 0.030 0.000 1.008 185 I CA -2.147 59.211 61.300 0.097 0.000 1.226 185 I CB 2.034 40.147 38.000 0.187 0.000 1.371 185 I HN 0.281 nan 8.210 nan 0.000 0.468 186 P HA 0.056 nan 4.420 nan 0.000 0.283 186 P C 0.867 178.113 177.300 -0.089 0.000 1.412 186 P CA -0.274 62.793 63.100 -0.056 0.000 0.912 186 P CB 1.141 32.812 31.700 -0.049 0.000 1.132 187 V N 1.857 121.710 119.914 -0.101 0.000 2.759 187 V HA -0.169 3.951 4.120 -0.000 0.000 0.256 187 V C 1.494 177.539 176.094 -0.083 0.000 1.080 187 V CA 1.302 63.543 62.300 -0.098 0.000 1.101 187 V CB -1.371 30.344 31.823 -0.181 0.000 0.698 187 V HN 0.324 nan 8.190 nan 0.000 0.477 188 Q N 0.270 120.021 119.800 -0.083 0.000 2.365 188 Q HA 0.139 4.479 4.340 -0.000 0.000 0.203 188 Q C 0.929 176.889 176.000 -0.065 0.000 0.929 188 Q CA 0.489 56.254 55.803 -0.063 0.000 0.948 188 Q CB 0.203 28.908 28.738 -0.056 0.000 1.043 188 Q HN 0.712 nan 8.270 nan 0.000 0.505 189 E N -0.141 119.998 120.200 -0.102 0.000 2.676 189 E HA 0.067 4.417 4.350 -0.000 0.000 0.225 189 E C 0.191 176.628 176.600 -0.271 0.000 0.944 189 E CA 0.386 56.708 56.400 -0.130 0.000 1.156 189 E CB 1.267 30.893 29.700 -0.123 0.000 1.117 189 E HN 0.222 nan 8.360 nan 0.000 0.523 190 T N -1.297 113.082 114.554 -0.291 0.000 2.883 190 T HA 0.464 4.814 4.350 -0.000 0.000 0.301 190 T C -1.182 173.450 174.700 -0.114 0.000 1.158 190 T CA -0.912 60.880 62.100 -0.512 0.000 1.007 190 T CB 2.699 71.151 68.868 -0.693 0.000 1.186 190 T HN -0.242 nan 8.240 nan 0.000 0.499 191 D N 0.918 121.364 120.400 0.077 0.000 2.373 191 D HA 0.314 4.954 4.640 -0.000 0.000 0.227 191 D C 0.897 177.300 176.300 0.172 0.000 1.091 191 D CA -1.062 53.026 54.000 0.147 0.000 0.840 191 D CB 1.185 42.102 40.800 0.194 0.000 1.060 191 D HN 0.465 nan 8.370 nan 0.000 0.502 192 I N 3.522 124.182 120.570 0.149 0.000 2.208 192 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 192 I C 1.978 178.191 176.117 0.159 0.000 1.097 192 I CA 1.913 63.315 61.300 0.171 0.000 1.363 192 I CB -0.236 37.890 38.000 0.210 0.000 1.051 192 I HN 0.501 nan 8.210 nan 0.000 0.413 193 S N -0.099 115.685 115.700 0.140 0.000 2.383 193 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 193 S C 2.058 176.751 174.600 0.154 0.000 1.026 193 S CA 0.999 59.276 58.200 0.129 0.000 0.981 193 S CB -0.658 62.604 63.200 0.104 0.000 0.818 193 S HN 0.493 nan 8.310 nan 0.000 0.472 194 K N 0.596 121.098 120.400 0.170 0.000 2.057 194 K HA 0.083 4.403 4.320 -0.000 0.000 0.207 194 K C 2.154 178.881 176.600 0.212 0.000 1.049 194 K CA 1.006 57.405 56.287 0.187 0.000 0.931 194 K CB -0.356 32.251 32.500 0.179 0.000 0.714 194 K HN 0.227 nan 8.250 nan 0.000 0.440 195 L N 1.181 122.544 121.223 0.232 0.000 2.056 195 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 195 L C 2.174 179.171 176.870 0.212 0.000 1.078 195 L CA 1.474 56.453 54.840 0.232 0.000 0.749 195 L CB -0.611 41.594 42.059 0.243 0.000 0.901 195 L HN -0.026 nan 8.230 nan 0.000 0.433 196 V N -0.289 119.759 119.914 0.223 0.000 2.295 196 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 196 V C 2.615 178.826 176.094 0.196 0.000 1.049 196 V CA 2.141 64.612 62.300 0.284 0.000 1.024 196 V CB -0.828 31.140 31.823 0.241 0.000 0.648 196 V HN 0.459 nan 8.190 nan 0.000 0.447 197 T N -0.964 113.687 114.554 0.162 0.000 2.684 197 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 197 T C 1.723 176.415 174.700 -0.012 0.000 1.036 197 T CA 2.339 64.511 62.100 0.120 0.000 1.148 197 T CB -0.405 68.575 68.868 0.186 0.000 0.863 197 T HN 0.611 nan 8.240 nan 0.000 0.436 198 Y N 1.416 121.644 120.300 -0.120 0.000 2.145 198 Y HA -0.089 4.461 4.550 -0.000 0.000 0.286 198 Y C 2.070 177.775 175.900 -0.325 0.000 1.145 198 Y CA 1.078 58.981 58.100 -0.329 0.000 1.148 198 Y CB -0.414 37.933 38.460 -0.187 0.000 0.981 198 Y HN 0.163 nan 8.280 nan 0.000 0.507 199 I N 0.262 120.749 120.570 -0.137 0.000 2.226 199 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 199 I C 2.243 178.056 176.117 -0.506 0.000 1.100 199 I CA 1.778 62.839 61.300 -0.399 0.000 1.374 199 I CB -0.470 37.119 38.000 -0.685 0.000 1.057 199 I HN 0.321 nan 8.210 nan 0.000 0.413 200 E N 0.684 120.693 120.200 -0.318 0.000 2.085 200 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 200 E C 2.082 178.551 176.600 -0.217 0.000 0.994 200 E CA 1.325 57.634 56.400 -0.152 0.000 0.801 200 E CB -0.056 29.662 29.700 0.030 0.000 0.743 200 E HN 0.202 nan 8.360 nan 0.000 0.453 201 K N 0.729 120.930 120.400 -0.331 0.000 2.057 201 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 201 K C 2.177 178.532 176.600 -0.408 0.000 1.050 201 K CA 1.381 57.443 56.287 -0.376 0.000 0.935 201 K CB -0.451 31.704 32.500 -0.575 0.000 0.715 201 K HN -0.049 nan 8.250 nan 0.000 0.439 202 S N -0.178 115.182 115.700 -0.566 0.000 2.368 202 S HA -0.057 4.413 4.470 -0.000 0.000 0.225 202 S C 1.872 176.308 174.600 -0.273 0.000 1.030 202 S CA 1.292 59.212 58.200 -0.467 0.000 0.999 202 S CB -0.316 62.559 63.200 -0.541 0.000 0.844 202 S HN 0.363 nan 8.310 nan 0.000 0.459 203 I N 1.373 121.791 120.570 -0.254 0.000 2.208 203 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 203 I C 2.626 178.677 176.117 -0.111 0.000 1.097 203 I CA 1.201 62.406 61.300 -0.158 0.000 1.363 203 I CB -0.349 37.570 38.000 -0.136 0.000 1.051 203 I HN 0.264 nan 8.210 nan 0.000 0.413 204 E N 0.464 120.594 120.200 -0.117 0.000 2.077 204 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 204 E C 2.426 178.977 176.600 -0.082 0.000 0.989 204 E CA 1.070 57.421 56.400 -0.082 0.000 0.800 204 E CB -0.549 29.105 29.700 -0.078 0.000 0.746 204 E HN 0.309 nan 8.360 nan 0.000 0.452 205 V N 2.023 121.869 119.914 -0.113 0.000 2.295 205 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 205 V C 1.771 177.821 176.094 -0.073 0.000 1.049 205 V CA 2.084 64.327 62.300 -0.095 0.000 1.024 205 V CB -0.431 31.316 31.823 -0.127 0.000 0.648 205 V HN 0.127 nan 8.190 nan 0.000 0.447 206 D N -0.412 119.939 120.400 -0.081 0.000 2.178 206 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 206 D C 1.894 178.169 176.300 -0.043 0.000 0.974 206 D CA 0.820 54.785 54.000 -0.058 0.000 0.841 206 D CB -0.231 40.532 40.800 -0.062 0.000 0.953 206 D HN 0.354 nan 8.370 nan 0.000 0.478 207 L N 0.587 121.784 121.223 -0.043 0.000 2.012 207 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 207 L C 2.052 178.907 176.870 -0.025 0.000 1.073 207 L CA 1.520 56.343 54.840 -0.029 0.000 0.748 207 L CB -0.624 41.419 42.059 -0.026 0.000 0.891 207 L HN 0.008 nan 8.230 nan 0.000 0.431 208 L N -1.556 119.650 121.223 -0.029 0.000 2.046 208 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 208 L C 2.440 179.298 176.870 -0.021 0.000 1.077 208 L CA 1.129 55.955 54.840 -0.023 0.000 0.747 208 L CB -0.698 41.345 42.059 -0.025 0.000 0.896 208 L HN 0.160 nan 8.230 nan 0.000 0.432 209 V N -0.987 118.912 119.914 -0.025 0.000 2.295 209 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 209 V C 2.705 178.789 176.094 -0.016 0.000 1.049 209 V CA 2.003 64.290 62.300 -0.020 0.000 1.024 209 V CB -0.478 31.331 31.823 -0.023 0.000 0.648 209 V HN 0.489 nan 8.190 nan 0.000 0.447 210 S N -0.384 115.306 115.700 -0.017 0.000 2.359 210 S HA -0.254 4.216 4.470 -0.000 0.000 0.224 210 S C 2.023 176.617 174.600 -0.010 0.000 1.035 210 S CA 1.861 60.053 58.200 -0.013 0.000 1.018 210 S CB -0.313 62.879 63.200 -0.013 0.000 0.876 210 S HN 0.652 nan 8.310 nan 0.000 0.448 211 E N 0.954 121.148 120.200 -0.011 0.000 2.110 211 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 211 E C 1.824 178.420 176.600 -0.008 0.000 0.988 211 E CA 1.117 57.512 56.400 -0.009 0.000 0.804 211 E CB -0.577 29.118 29.700 -0.009 0.000 0.745 211 E HN 0.594 nan 8.360 nan 0.000 0.458 212 D N 0.782 121.176 120.400 -0.009 0.000 2.123 212 D HA -0.116 4.524 4.640 -0.000 0.000 0.196 212 D C 2.122 178.418 176.300 -0.007 0.000 0.992 212 D CA 0.720 54.716 54.000 -0.008 0.000 0.833 212 D CB -0.286 40.509 40.800 -0.009 0.000 0.954 212 D HN 0.207 nan 8.370 nan 0.000 0.455 213 I N 0.723 121.288 120.570 -0.007 0.000 2.286 213 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 213 I C 2.106 178.220 176.117 -0.005 0.000 1.115 213 I CA 1.058 62.354 61.300 -0.006 0.000 1.392 213 I CB -0.107 37.889 38.000 -0.007 0.000 1.065 213 I HN -0.069 nan 8.210 nan 0.000 0.418 214 K N 0.501 120.898 120.400 -0.005 0.000 2.362 214 K HA -0.086 4.234 4.320 -0.000 0.000 0.200 214 K C 1.153 177.751 176.600 -0.003 0.000 1.046 214 K CA 0.743 57.028 56.287 -0.004 0.000 0.952 214 K CB -0.168 32.329 32.500 -0.004 0.000 0.753 214 K HN 0.288 nan 8.250 nan 0.000 0.466 215 N N 0.070 118.768 118.700 -0.004 0.000 2.383 215 N HA 0.008 4.748 4.740 -0.000 0.000 0.192 215 N C 0.712 176.220 175.510 -0.003 0.000 1.141 215 N CA 0.766 53.814 53.050 -0.003 0.000 0.851 215 N CB 1.112 39.597 38.487 -0.004 0.000 0.976 215 N HN 0.372 nan 8.380 nan 0.000 0.465 216 G N 0.408 109.206 108.800 -0.003 0.000 2.159 216 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.256 216 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.256 216 G C 0.035 174.933 174.900 -0.003 0.000 0.977 216 G CA -0.352 44.746 45.100 -0.003 0.000 0.652 216 G HN 0.209 nan 8.290 nan 0.000 0.531 217 I N 1.654 122.222 120.570 -0.004 0.000 2.496 217 I HA 0.260 4.430 4.170 -0.000 0.000 0.285 217 I C -1.615 174.499 176.117 -0.004 0.000 1.080 217 I CA -2.795 58.503 61.300 -0.004 0.000 1.404 217 I CB 0.269 38.266 38.000 -0.005 0.000 1.403 217 I HN -0.125 nan 8.210 nan 0.000 0.539 218 P HA 0.053 nan 4.420 nan 0.000 0.266 218 P C 0.488 177.785 177.300 -0.005 0.000 1.195 218 P CA 0.014 63.112 63.100 -0.004 0.000 0.768 218 P CB 0.724 32.422 31.700 -0.003 0.000 0.838 219 A N 4.293 127.110 122.820 -0.005 0.000 1.877 219 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 219 A C 1.856 179.437 177.584 -0.006 0.000 1.186 219 A CA 1.499 53.532 52.037 -0.006 0.000 0.620 219 A CB -0.753 18.243 19.000 -0.006 0.000 0.822 219 A HN 0.389 nan 8.150 nan 0.000 0.443 220 K N -0.278 120.119 120.400 -0.005 0.000 2.057 220 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 220 K C 2.164 178.762 176.600 -0.004 0.000 1.050 220 K CA 1.503 57.788 56.287 -0.004 0.000 0.935 220 K CB -0.658 31.840 32.500 -0.003 0.000 0.715 220 K HN 0.769 nan 8.250 nan 0.000 0.439 221 Q N 0.627 120.425 119.800 -0.003 0.000 2.061 221 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 221 Q C 1.964 177.961 176.000 -0.004 0.000 0.984 221 Q CA 1.937 57.738 55.803 -0.003 0.000 0.846 221 Q CB -0.109 28.627 28.738 -0.003 0.000 0.902 221 Q HN 0.265 nan 8.270 nan 0.000 0.421 222 A N 0.593 123.409 122.820 -0.006 0.000 1.883 222 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 222 A C 1.974 179.553 177.584 -0.010 0.000 1.186 222 A CA 1.763 53.795 52.037 -0.008 0.000 0.624 222 A CB -0.696 18.299 19.000 -0.009 0.000 0.822 222 A HN 0.573 nan 8.150 nan 0.000 0.444 223 Q N -0.482 119.312 119.800 -0.010 0.000 2.045 223 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 223 Q C 1.981 177.977 176.000 -0.007 0.000 0.991 223 Q CA 1.671 57.467 55.803 -0.011 0.000 0.851 223 Q CB -0.272 28.461 28.738 -0.009 0.000 0.911 223 Q HN 0.640 nan 8.270 nan 0.000 0.418 224 N N 0.612 119.310 118.700 -0.004 0.000 2.120 224 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 224 N C 1.338 176.848 175.510 0.000 0.000 1.024 224 N CA 1.467 54.517 53.050 0.000 0.000 0.852 224 N CB -0.408 38.080 38.487 0.001 0.000 1.003 224 N HN 0.268 nan 8.380 nan 0.000 0.424 225 D N 0.631 121.030 120.400 -0.002 0.000 2.078 225 D HA -0.093 4.547 4.640 -0.000 0.000 0.193 225 D C 1.806 178.103 176.300 -0.004 0.000 0.990 225 D CA 1.168 55.166 54.000 -0.003 0.000 0.827 225 D CB 0.220 41.017 40.800 -0.004 0.000 0.975 225 D HN -0.019 nan 8.370 nan 0.000 0.451 226 R N 0.044 120.538 120.500 -0.010 0.000 2.115 226 R HA 0.096 4.436 4.340 -0.000 0.000 0.226 226 R C 2.343 178.630 176.300 -0.021 0.000 1.100 226 R CA 0.662 56.752 56.100 -0.017 0.000 0.980 226 R CB -0.504 29.782 30.300 -0.025 0.000 0.875 226 R HN 0.320 nan 8.270 nan 0.000 0.445 227 R N 0.896 121.386 120.500 -0.017 0.000 2.307 227 R HA 0.009 4.349 4.340 -0.000 0.000 0.199 227 R C 2.082 178.388 176.300 0.010 0.000 1.000 227 R CA 0.833 56.924 56.100 -0.015 0.000 1.023 227 R CB -0.070 30.226 30.300 -0.007 0.000 0.908 227 R HN 0.249 nan 8.270 nan 0.000 0.473 228 S N 0.849 116.557 115.700 0.013 0.000 2.383 228 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 228 S C 2.219 176.846 174.600 0.045 0.000 1.030 228 S CA 1.351 59.566 58.200 0.026 0.000 1.002 228 S CB -0.764 62.446 63.200 0.017 0.000 0.829 228 S HN 0.296 nan 8.310 nan 0.000 0.467 229 V N 0.189 120.128 119.914 0.043 0.000 2.720 229 V HA 0.035 4.155 4.120 -0.000 0.000 0.256 229 V C 2.064 178.263 176.094 0.174 0.000 1.082 229 V CA 1.498 63.847 62.300 0.082 0.000 1.101 229 V CB -1.095 30.763 31.823 0.059 0.000 0.693 229 V HN 0.546 nan 8.190 nan 0.000 0.479 230 L N -0.980 120.313 121.223 0.117 0.000 2.395 230 L HA 0.050 4.390 4.340 -0.000 0.000 0.218 230 L C 2.588 179.654 176.870 0.327 0.000 1.130 230 L CA 0.730 55.675 54.840 0.175 0.000 0.826 230 L CB -0.493 41.567 42.059 0.002 0.000 0.941 230 L HN 0.244 nan 8.230 nan 0.000 0.451 231 K N 1.415 121.929 120.400 0.191 0.000 2.103 231 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 231 K C 1.944 178.619 176.600 0.126 0.000 1.048 231 K CA 1.481 57.849 56.287 0.135 0.000 0.930 231 K CB -0.307 32.236 32.500 0.071 0.000 0.716 231 K HN 0.384 nan 8.250 nan 0.000 0.444 232 K N -1.009 119.450 120.400 0.098 0.000 2.360 232 K HA -0.109 4.211 4.320 -0.000 0.000 0.201 232 K C 0.234 176.793 176.600 -0.069 0.000 1.046 232 K CA 0.919 57.183 56.287 -0.038 0.000 0.945 232 K CB -0.220 32.185 32.500 -0.158 0.000 0.750 232 K HN 0.004 nan 8.250 nan 0.000 0.464 233 Y N 0.317 120.657 120.300 0.067 0.000 2.436 233 Y HA 0.611 5.161 4.550 -0.000 0.000 0.336 233 Y C 1.038 176.952 175.900 0.024 0.000 1.318 233 Y CA -0.295 57.860 58.100 0.091 0.000 1.493 233 Y CB 0.672 39.282 38.460 0.250 0.000 1.547 233 Y HN 0.025 nan 8.280 nan 0.000 0.549 234 I N 0.000 120.650 120.570 0.133 0.000 2.984 234 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 234 I CA 0.000 nan 61.300 nan 0.000 1.566 234 I CB 0.000 nan 38.000 nan 0.000 1.214 234 I HN 0.000 nan 8.210 nan 0.000 0.494