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 2cfa_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSAKLISVTK PVVEGVNTAE ELIAYAARVS NPENQINNKT ASGLLKYXIR DATA SEQUENCE HKHWSIFETA FMTLELKTSR GIAAQVIRHR SFHFQEFSXX XXXXXXXPXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXWWATEQ EKLYAQSMEL YNKALEKGIA DATA SEQUENCE KECARFILPL STPTTIYMSG TIRDWIHYIE LRTSNGTQRE HIDLANACKE DATA SEQUENCE IFIKEFXSIA KALDW 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 2 S N -0.011 115.695 115.700 0.010 0.000 2.806 2 S HA 0.999 5.469 4.470 -0.000 0.000 0.306 2 S C -0.718 173.901 174.600 0.031 0.000 1.167 2 S CA -0.452 57.758 58.200 0.017 0.000 0.847 2 S CB 2.666 65.872 63.200 0.011 0.000 1.216 2 S HN 0.370 nan 8.310 nan 0.000 0.532 3 A N 0.531 123.367 122.820 0.026 0.000 2.549 3 A HA 0.835 5.154 4.320 -0.000 0.000 0.297 3 A C -1.251 176.337 177.584 0.006 0.000 1.061 3 A CA -0.997 51.058 52.037 0.029 0.000 0.690 3 A CB 1.424 20.443 19.000 0.032 0.000 1.287 3 A HN 1.086 nan 8.150 nan 0.000 0.402 4 K N 0.866 121.265 120.400 -0.001 0.000 2.477 4 K HA 0.763 5.083 4.320 -0.000 0.000 0.255 4 K C -1.076 175.489 176.600 -0.059 0.000 0.952 4 K CA -0.822 55.450 56.287 -0.026 0.000 0.826 4 K CB 1.763 34.255 32.500 -0.014 0.000 1.331 4 K HN 0.517 nan 8.250 nan 0.000 0.437 5 L N 2.983 124.162 121.223 -0.074 0.000 2.410 5 L HA 0.147 4.487 4.340 -0.000 0.000 0.273 5 L C 0.063 176.875 176.870 -0.097 0.000 1.152 5 L CA 0.083 54.865 54.840 -0.098 0.000 0.855 5 L CB 0.255 42.257 42.059 -0.096 0.000 1.129 5 L HN 0.869 nan 8.230 nan 0.000 0.463 6 I N 1.873 122.366 120.570 -0.129 0.000 3.718 6 I HA 0.233 4.403 4.170 -0.000 0.000 0.297 6 I C 0.481 176.547 176.117 -0.085 0.000 1.220 6 I CA 0.586 61.794 61.300 -0.155 0.000 1.381 6 I CB 0.078 37.849 38.000 -0.380 0.000 1.238 6 I HN 0.699 nan 8.210 nan 0.000 0.448 7 S N -0.361 115.304 115.700 -0.058 0.000 2.578 7 S HA 0.578 5.048 4.470 -0.000 0.000 0.285 7 S C -1.667 172.955 174.600 0.038 0.000 1.126 7 S CA -0.398 57.805 58.200 0.005 0.000 0.878 7 S CB 1.572 64.801 63.200 0.048 0.000 1.091 7 S HN -0.095 nan 8.310 nan 0.000 0.450 8 V N 2.940 122.888 119.914 0.056 0.000 3.120 8 V HA 0.612 4.732 4.120 -0.000 0.000 0.303 8 V C -0.167 175.991 176.094 0.107 0.000 1.238 8 V CA -0.345 62.012 62.300 0.094 0.000 1.008 8 V CB 2.099 33.935 31.823 0.021 0.000 1.064 8 V HN 1.049 nan 8.190 nan 0.000 0.434 9 T N 4.873 119.528 114.554 0.169 0.000 2.765 9 T HA 0.011 4.361 4.350 -0.000 0.000 0.275 9 T C -0.207 174.533 174.700 0.066 0.000 1.007 9 T CA 0.949 63.130 62.100 0.136 0.000 1.175 9 T CB -0.330 68.651 68.868 0.190 0.000 0.993 9 T HN 0.579 nan 8.240 nan 0.000 0.510 10 K N 5.326 125.748 120.400 0.037 0.000 2.483 10 K HA 0.357 4.677 4.320 -0.000 0.000 0.256 10 K C -2.174 174.423 176.600 -0.004 0.000 0.961 10 K CA -1.970 54.320 56.287 0.004 0.000 0.873 10 K CB 1.008 33.503 32.500 -0.008 0.000 1.107 10 K HN 0.319 nan 8.250 nan 0.000 0.432 11 P HA -0.014 nan 4.420 nan 0.000 0.270 11 P C 0.186 177.458 177.300 -0.046 0.000 1.223 11 P CA -0.347 62.732 63.100 -0.035 0.000 0.785 11 P CB 0.979 32.642 31.700 -0.061 0.000 0.923 12 V N -1.642 118.241 119.914 -0.052 0.000 3.330 12 V HA 0.167 4.287 4.120 -0.000 0.000 0.309 12 V C 0.638 176.693 176.094 -0.064 0.000 1.481 12 V CA -0.153 62.118 62.300 -0.049 0.000 1.068 12 V CB -0.014 31.790 31.823 -0.031 0.000 0.935 12 V HN 0.399 nan 8.190 nan 0.000 0.453 13 V N -0.002 119.853 119.914 -0.098 0.000 3.133 13 V HA 0.630 4.750 4.120 -0.000 0.000 0.305 13 V C 0.229 176.239 176.094 -0.139 0.000 1.084 13 V CA -0.172 62.051 62.300 -0.128 0.000 1.089 13 V CB 1.560 33.259 31.823 -0.206 0.000 1.073 13 V HN 0.543 nan 8.190 nan 0.000 0.477 14 E N 2.278 122.405 120.200 -0.122 0.000 2.259 14 E HA 0.520 4.870 4.350 -0.000 0.000 0.281 14 E C 0.895 177.423 176.600 -0.120 0.000 1.037 14 E CA 0.809 57.153 56.400 -0.094 0.000 0.854 14 E CB 0.412 30.081 29.700 -0.053 0.000 1.051 14 E HN 1.707 nan 8.360 nan 0.000 0.409 15 G N 2.838 111.580 108.800 -0.096 0.000 2.179 15 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 15 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 15 G C -0.236 174.591 174.900 -0.121 0.000 0.977 15 G CA 0.181 45.230 45.100 -0.085 0.000 0.641 15 G HN 0.556 nan 8.290 nan 0.000 0.533 16 V N 0.603 120.412 119.914 -0.175 0.000 2.376 16 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 16 V C 0.656 176.679 176.094 -0.117 0.000 1.015 16 V CA -0.065 62.127 62.300 -0.179 0.000 0.834 16 V CB 1.341 32.969 31.823 -0.325 0.000 1.001 16 V HN 0.294 nan 8.190 nan 0.000 0.428 17 N N 1.803 120.454 118.700 -0.081 0.000 2.482 17 N HA 0.059 4.799 4.740 -0.000 0.000 0.179 17 N C 0.744 176.216 175.510 -0.063 0.000 1.039 17 N CA 0.513 53.523 53.050 -0.066 0.000 0.884 17 N CB 0.539 38.992 38.487 -0.057 0.000 1.113 17 N HN 0.774 nan 8.380 nan 0.000 0.440 18 T N -2.996 111.520 114.554 -0.062 0.000 2.940 18 T HA 0.711 5.061 4.350 -0.000 0.000 0.288 18 T C 1.122 175.801 174.700 -0.035 0.000 1.045 18 T CA -0.543 61.513 62.100 -0.073 0.000 1.018 18 T CB 1.818 70.620 68.868 -0.111 0.000 1.151 18 T HN -0.009 nan 8.240 nan 0.000 0.529 19 A N 0.261 123.064 122.820 -0.028 0.000 1.883 19 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 19 A C 2.200 179.903 177.584 0.200 0.000 1.186 19 A CA 2.192 54.295 52.037 0.110 0.000 0.624 19 A CB -1.270 17.855 19.000 0.208 0.000 0.822 19 A HN 1.040 nan 8.150 nan 0.000 0.444 20 E N -0.265 120.022 120.200 0.146 0.000 2.110 20 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 20 E C 1.880 178.546 176.600 0.110 0.000 0.988 20 E CA 1.369 57.907 56.400 0.230 0.000 0.804 20 E CB -0.143 29.647 29.700 0.151 0.000 0.745 20 E HN 0.747 nan 8.360 nan 0.000 0.458 21 E N -0.075 120.154 120.200 0.048 0.000 2.204 21 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 21 E C 1.998 178.631 176.600 0.055 0.000 0.989 21 E CA 0.574 56.995 56.400 0.035 0.000 0.824 21 E CB 0.019 29.715 29.700 -0.006 0.000 0.756 21 E HN 0.227 nan 8.360 nan 0.000 0.477 22 L N 0.910 122.161 121.223 0.047 0.000 2.072 22 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 22 L C 1.955 178.875 176.870 0.084 0.000 1.079 22 L CA 1.374 56.254 54.840 0.067 0.000 0.752 22 L CB -0.208 41.876 42.059 0.041 0.000 0.906 22 L HN 0.079 nan 8.230 nan 0.000 0.436 23 I N -0.137 120.450 120.570 0.029 0.000 2.151 23 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 23 I C 2.572 178.606 176.117 -0.138 0.000 1.080 23 I CA 1.416 62.650 61.300 -0.110 0.000 1.339 23 I CB -0.747 37.156 38.000 -0.162 0.000 1.039 23 I HN 0.360 nan 8.210 nan 0.000 0.409 24 A N -0.191 122.608 122.820 -0.036 0.000 1.930 24 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 24 A C 2.296 179.888 177.584 0.013 0.000 1.175 24 A CA 1.371 53.393 52.037 -0.024 0.000 0.627 24 A CB -0.945 18.070 19.000 0.026 0.000 0.815 24 A HN 0.548 nan 8.150 nan 0.000 0.443 25 Y N 0.504 120.767 120.300 -0.062 0.000 2.200 25 Y HA -0.027 4.523 4.550 -0.000 0.000 0.290 25 Y C 2.603 178.469 175.900 -0.056 0.000 1.137 25 Y CA 1.253 59.326 58.100 -0.046 0.000 1.163 25 Y CB -0.373 38.069 38.460 -0.030 0.000 0.988 25 Y HN 0.307 nan 8.280 nan 0.000 0.518 26 A N 0.831 123.658 122.820 0.012 0.000 1.883 26 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 26 A C 2.433 179.916 177.584 -0.169 0.000 1.186 26 A CA 2.014 53.997 52.037 -0.090 0.000 0.624 26 A CB -1.612 17.364 19.000 -0.040 0.000 0.822 26 A HN 0.641 nan 8.150 nan 0.000 0.444 27 A N -0.276 122.417 122.820 -0.211 0.000 1.903 27 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 27 A C 2.303 179.807 177.584 -0.133 0.000 1.191 27 A CA 1.873 53.777 52.037 -0.221 0.000 0.638 27 A CB -0.530 18.333 19.000 -0.229 0.000 0.823 27 A HN 0.562 nan 8.150 nan 0.000 0.451 28 R N -0.798 119.611 120.500 -0.151 0.000 2.073 28 R HA -0.073 4.267 4.340 -0.000 0.000 0.229 28 R C 2.150 178.345 176.300 -0.174 0.000 1.120 28 R CA 1.593 57.609 56.100 -0.140 0.000 0.967 28 R CB -0.550 29.670 30.300 -0.133 0.000 0.862 28 R HN 0.625 nan 8.270 nan 0.000 0.436 29 V N -1.874 117.867 119.914 -0.288 0.000 3.041 29 V HA -0.032 4.088 4.120 -0.000 0.000 0.260 29 V C 1.824 177.837 176.094 -0.134 0.000 1.105 29 V CA 1.359 63.501 62.300 -0.264 0.000 1.125 29 V CB 0.195 31.752 31.823 -0.444 0.000 0.730 29 V HN 0.058 nan 8.190 nan 0.000 0.479 30 S N 1.581 117.230 115.700 -0.085 0.000 2.370 30 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 30 S C 1.044 175.641 174.600 -0.005 0.000 1.033 30 S CA 1.806 60.007 58.200 0.001 0.000 1.011 30 S CB -0.473 62.803 63.200 0.126 0.000 0.852 30 S HN 0.804 nan 8.310 nan 0.000 0.457 31 N N 0.699 119.390 118.700 -0.016 0.000 2.790 31 N HA 0.236 4.976 4.740 -0.000 0.000 0.256 31 N C -2.666 172.822 175.510 -0.037 0.000 1.409 31 N CA -1.005 52.034 53.050 -0.018 0.000 0.799 31 N CB 1.759 40.248 38.487 0.003 0.000 1.170 31 N HN 0.107 nan 8.380 nan 0.000 0.507 32 P HA -0.155 nan 4.420 nan 0.000 0.218 32 P C 1.536 178.812 177.300 -0.039 0.000 1.149 32 P CA 1.139 64.208 63.100 -0.052 0.000 0.817 32 P CB 0.406 32.076 31.700 -0.050 0.000 0.785 33 E N 0.373 120.554 120.200 -0.032 0.000 2.150 33 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 33 E C 0.299 176.880 176.600 -0.030 0.000 0.985 33 E CA 0.612 56.995 56.400 -0.029 0.000 0.814 33 E CB -1.805 27.879 29.700 -0.026 0.000 0.752 33 E HN 0.326 nan 8.360 nan 0.000 0.466 34 N N 2.172 120.853 118.700 -0.032 0.000 2.301 34 N HA -0.085 4.655 4.740 -0.000 0.000 0.267 34 N C 0.830 176.317 175.510 -0.039 0.000 1.304 34 N CA -0.167 52.861 53.050 -0.035 0.000 0.851 34 N CB 0.507 38.977 38.487 -0.028 0.000 1.070 34 N HN 0.185 nan 8.380 nan 0.000 0.483 35 Q N 2.174 121.947 119.800 -0.045 0.000 2.364 35 Q HA -0.113 4.227 4.340 -0.000 0.000 0.207 35 Q C 1.679 177.646 176.000 -0.056 0.000 0.970 35 Q CA 0.678 56.454 55.803 -0.045 0.000 0.888 35 Q CB -0.136 28.575 28.738 -0.045 0.000 0.951 35 Q HN 0.711 nan 8.270 nan 0.000 0.469 36 I N 1.879 122.404 120.570 -0.076 0.000 2.454 36 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 36 I C 1.270 177.360 176.117 -0.046 0.000 1.156 36 I CA 0.872 62.115 61.300 -0.095 0.000 1.433 36 I CB -0.075 37.848 38.000 -0.128 0.000 1.082 36 I HN 0.105 nan 8.210 nan 0.000 0.432 37 N N 0.788 119.467 118.700 -0.035 0.000 2.443 37 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 37 N C 1.141 176.643 175.510 -0.014 0.000 1.037 37 N CA 1.185 54.220 53.050 -0.025 0.000 0.896 37 N CB -0.817 37.651 38.487 -0.033 0.000 0.959 37 N HN 0.562 nan 8.380 nan 0.000 0.442 38 N N 0.030 118.721 118.700 -0.015 0.000 2.521 38 N HA 0.008 4.748 4.740 -0.000 0.000 0.188 38 N C -0.036 175.477 175.510 0.004 0.000 1.146 38 N CA 0.288 53.334 53.050 -0.006 0.000 0.893 38 N CB 0.332 38.813 38.487 -0.010 0.000 0.975 38 N HN 0.233 nan 8.380 nan 0.000 0.451 39 K N 0.840 121.246 120.400 0.009 0.000 2.107 39 K HA 0.115 4.435 4.320 -0.000 0.000 0.251 39 K C 0.665 177.284 176.600 0.031 0.000 1.012 39 K CA -0.384 55.921 56.287 0.029 0.000 0.920 39 K CB 0.558 33.090 32.500 0.053 0.000 1.033 39 K HN 0.062 nan 8.250 nan 0.000 0.478 40 T N -1.472 113.104 114.554 0.037 0.000 2.791 40 T HA 0.029 4.379 4.350 -0.000 0.000 0.323 40 T C 1.364 176.088 174.700 0.040 0.000 1.082 40 T CA -0.058 62.062 62.100 0.035 0.000 1.084 40 T CB 0.903 69.792 68.868 0.034 0.000 0.992 40 T HN 0.598 nan 8.240 nan 0.000 0.547 41 A N 1.802 124.645 122.820 0.038 0.000 1.883 41 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 41 A C 2.711 180.326 177.584 0.052 0.000 1.186 41 A CA 2.366 54.428 52.037 0.042 0.000 0.624 41 A CB -1.538 17.488 19.000 0.044 0.000 0.822 41 A HN 1.280 nan 8.150 nan 0.000 0.444 42 S N -0.604 115.125 115.700 0.049 0.000 2.423 42 S HA 0.055 4.525 4.470 -0.000 0.000 0.231 42 S C 1.946 176.568 174.600 0.036 0.000 1.014 42 S CA 1.304 59.530 58.200 0.043 0.000 0.965 42 S CB -0.909 62.312 63.200 0.033 0.000 0.785 42 S HN 0.674 nan 8.310 nan 0.000 0.495 43 G N 1.761 110.594 108.800 0.055 0.000 2.394 43 G HA2 0.022 3.982 3.960 -0.000 0.000 0.214 43 G HA3 0.022 3.982 3.960 -0.000 0.000 0.214 43 G C 1.384 176.384 174.900 0.167 0.000 1.176 43 G CA 0.631 45.788 45.100 0.094 0.000 0.786 43 G HN 0.432 nan 8.290 nan 0.000 0.533 44 L N -0.208 121.088 121.223 0.123 0.000 1.989 44 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 44 L C 2.767 179.701 176.870 0.106 0.000 1.071 44 L CA 1.115 56.024 54.840 0.115 0.000 0.749 44 L CB -0.240 41.845 42.059 0.044 0.000 0.890 44 L HN 0.127 nan 8.230 nan 0.000 0.431 45 L N 0.036 121.306 121.223 0.079 0.000 2.141 45 L HA -0.209 4.130 4.340 -0.000 0.000 0.209 45 L C 2.469 179.378 176.870 0.065 0.000 1.094 45 L CA 1.433 56.347 54.840 0.123 0.000 0.763 45 L CB -1.247 40.923 42.059 0.186 0.000 0.908 45 L HN 0.279 nan 8.230 nan 0.000 0.437 46 K N -0.865 119.514 120.400 -0.036 0.000 2.074 46 K HA -0.203 4.116 4.320 -0.000 0.000 0.209 46 K C 0.637 177.049 176.600 -0.312 0.000 1.048 46 K CA 1.083 57.253 56.287 -0.196 0.000 0.926 46 K CB -0.148 32.185 32.500 -0.277 0.000 0.713 46 K HN 0.110 nan 8.250 nan 0.000 0.444 50 R N 1.075 121.414 120.500 -0.270 0.000 2.105 50 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 50 R C 1.765 178.057 176.300 -0.012 0.000 1.135 50 R CA 1.845 57.851 56.100 -0.156 0.000 0.967 50 R CB -0.118 30.062 30.300 -0.201 0.000 0.861 50 R HN 0.431 nan 8.270 nan 0.000 0.442 51 H N 0.814 119.842 119.070 -0.069 0.000 2.547 51 H HA 0.108 4.664 4.556 -0.000 0.000 0.266 51 H C 0.380 175.624 175.328 -0.140 0.000 0.988 51 H CA 0.472 56.490 56.048 -0.051 0.000 1.147 51 H CB 0.397 30.165 29.762 0.011 0.000 1.365 51 H HN 0.083 nan 8.280 nan 0.000 0.589 52 K N -0.257 119.990 120.400 -0.255 0.000 3.230 52 K HA -0.268 4.052 4.320 -0.000 0.000 0.285 52 K C -0.105 176.199 176.600 -0.494 0.000 1.196 52 K CA 0.586 56.514 56.287 -0.598 0.000 0.838 52 K CB -2.945 29.510 32.500 -0.075 0.000 1.262 52 K HN 0.693 nan 8.250 nan 0.000 0.492 53 H N -0.639 118.204 119.070 -0.378 0.000 3.195 53 H HA 0.108 4.663 4.556 -0.000 0.000 0.241 53 H C 0.816 176.141 175.328 -0.006 0.000 1.823 53 H CA -0.303 55.678 56.048 -0.111 0.000 1.466 53 H CB -0.290 29.460 29.762 -0.021 0.000 1.819 53 H HN 0.311 nan 8.280 nan 0.000 0.575 54 W N 1.240 122.790 121.300 0.416 0.000 2.519 54 W HA -0.136 4.524 4.660 -0.000 0.000 0.266 54 W C 2.467 179.196 176.519 0.351 0.000 1.253 54 W CA 0.554 58.139 57.345 0.400 0.000 1.274 54 W CB 0.356 29.977 29.460 0.269 0.000 1.114 54 W HN 0.520 nan 8.180 nan 0.000 0.596 55 S N 0.894 116.891 115.700 0.495 0.000 2.453 55 S HA -0.194 4.276 4.470 -0.000 0.000 0.231 55 S C 1.670 176.368 174.600 0.164 0.000 1.005 55 S CA 1.222 59.610 58.200 0.312 0.000 0.949 55 S CB -1.148 62.210 63.200 0.263 0.000 0.774 55 S HN 0.494 nan 8.310 nan 0.000 0.510 56 I N -2.139 118.420 120.570 -0.019 0.000 2.394 56 I HA 0.051 4.221 4.170 -0.000 0.000 0.251 56 I C 1.612 177.553 176.117 -0.293 0.000 1.136 56 I CA 1.202 62.331 61.300 -0.286 0.000 1.425 56 I CB -0.743 36.867 38.000 -0.651 0.000 1.079 56 I HN 0.094 nan 8.210 nan 0.000 0.425 57 F N 1.615 121.626 119.950 0.101 0.000 2.811 57 F HA 0.161 4.688 4.527 -0.000 0.000 0.301 57 F C 1.663 177.531 175.800 0.113 0.000 1.151 57 F CA 0.406 58.471 58.000 0.109 0.000 1.412 57 F CB -0.257 38.857 39.000 0.191 0.000 1.113 57 F HN 0.129 nan 8.300 nan 0.000 0.579 58 E N -0.546 119.797 120.200 0.239 0.000 2.558 58 E HA 0.022 4.372 4.350 -0.000 0.000 0.205 58 E C 1.416 178.107 176.600 0.151 0.000 1.006 58 E CA 0.349 56.867 56.400 0.197 0.000 0.961 58 E CB 0.088 29.900 29.700 0.187 0.000 1.044 58 E HN 0.310 nan 8.360 nan 0.000 0.465 59 T N -1.942 112.682 114.554 0.118 0.000 3.129 59 T HA 0.357 4.707 4.350 -0.000 0.000 0.251 59 T C 0.659 175.438 174.700 0.132 0.000 1.117 59 T CA -0.136 62.022 62.100 0.098 0.000 1.034 59 T CB 0.390 69.294 68.868 0.061 0.000 0.968 59 T HN 0.072 nan 8.240 nan 0.000 0.526 60 A N 0.566 123.494 122.820 0.181 0.000 2.435 60 A HA 0.786 5.106 4.320 -0.000 0.000 0.304 60 A C -1.618 176.171 177.584 0.342 0.000 1.064 60 A CA -0.976 51.204 52.037 0.239 0.000 0.727 60 A CB 1.677 20.812 19.000 0.226 0.000 1.284 60 A HN 0.408 nan 8.150 nan 0.000 0.415 61 F N 0.977 121.027 119.950 0.167 0.000 2.608 61 F HA 0.731 5.258 4.527 -0.000 0.000 0.309 61 F C -0.704 175.232 175.800 0.226 0.000 1.103 61 F CA -0.551 57.564 58.000 0.193 0.000 0.954 61 F CB 2.046 41.123 39.000 0.128 0.000 1.267 61 F HN 0.736 nan 8.300 nan 0.000 0.444 62 M N 4.784 124.415 119.600 0.052 0.000 2.484 62 M HA 0.526 5.005 4.480 -0.000 0.000 0.289 62 M C -1.691 174.647 176.300 0.063 0.000 1.206 62 M CA -0.290 55.061 55.300 0.085 0.000 0.892 62 M CB 2.425 35.027 32.600 0.003 0.000 1.712 62 M HN 0.670 nan 8.290 nan 0.000 0.462 63 T N 4.226 118.809 114.554 0.048 0.000 2.886 63 T HA 0.723 5.073 4.350 -0.000 0.000 0.292 63 T C -1.553 173.133 174.700 -0.022 0.000 1.012 63 T CA -0.659 61.487 62.100 0.076 0.000 0.982 63 T CB 1.058 69.963 68.868 0.061 0.000 1.018 63 T HN 0.679 nan 8.240 nan 0.000 0.451 64 L N 3.027 124.290 121.223 0.068 0.000 2.354 64 L HA 0.603 4.943 4.340 -0.000 0.000 0.269 64 L C 0.022 176.916 176.870 0.041 0.000 1.005 64 L CA -1.085 53.752 54.840 -0.005 0.000 0.819 64 L CB 2.226 44.278 42.059 -0.012 0.000 1.311 64 L HN 0.742 nan 8.230 nan 0.000 0.423 65 E N 3.233 123.439 120.200 0.010 0.000 2.200 65 E HA 0.479 4.829 4.350 -0.000 0.000 0.283 65 E C -1.524 175.168 176.600 0.154 0.000 1.015 65 E CA -0.527 55.974 56.400 0.168 0.000 0.819 65 E CB 1.088 30.890 29.700 0.170 0.000 1.081 65 E HN 0.447 nan 8.360 nan 0.000 0.397 66 L N 4.563 125.900 121.223 0.191 0.000 2.322 66 L HA 0.478 4.818 4.340 -0.000 0.000 0.281 66 L C -0.095 176.836 176.870 0.102 0.000 1.014 66 L CA -0.868 54.046 54.840 0.124 0.000 0.815 66 L CB 1.666 43.792 42.059 0.112 0.000 1.247 66 L HN 0.388 nan 8.230 nan 0.000 0.421 67 K N 2.199 122.636 120.400 0.063 0.000 2.293 67 K HA 0.621 4.941 4.320 -0.000 0.000 0.267 67 K C -0.473 176.132 176.600 0.010 0.000 1.010 67 K CA -0.266 56.045 56.287 0.040 0.000 0.875 67 K CB 2.241 34.761 32.500 0.033 0.000 1.106 67 K HN 0.628 nan 8.250 nan 0.000 0.450 68 T N -0.113 114.437 114.554 -0.007 0.000 2.637 68 T HA 0.314 4.664 4.350 -0.000 0.000 0.303 68 T C -0.959 173.714 174.700 -0.046 0.000 1.288 68 T CA -0.513 61.565 62.100 -0.037 0.000 1.040 68 T CB 0.897 69.727 68.868 -0.063 0.000 1.644 68 T HN 0.564 nan 8.240 nan 0.000 0.480 69 S N 0.332 115.995 115.700 -0.063 0.000 2.730 69 S HA 0.564 5.034 4.470 -0.000 0.000 0.284 69 S C 1.030 175.588 174.600 -0.070 0.000 1.153 69 S CA -0.901 57.262 58.200 -0.062 0.000 0.995 69 S CB 1.082 64.244 63.200 -0.064 0.000 1.058 69 S HN 0.645 nan 8.310 nan 0.000 0.552 70 R N 0.370 120.830 120.500 -0.067 0.000 2.148 70 R HA 0.026 4.366 4.340 -0.000 0.000 0.227 70 R C 2.261 178.512 176.300 -0.081 0.000 1.103 70 R CA 1.329 57.381 56.100 -0.081 0.000 0.983 70 R CB -1.470 28.779 30.300 -0.085 0.000 0.874 70 R HN 0.881 nan 8.270 nan 0.000 0.451 71 G N 1.369 110.131 108.800 -0.063 0.000 2.404 71 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 71 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 71 G C 1.421 176.287 174.900 -0.056 0.000 1.174 71 G CA 0.184 45.256 45.100 -0.048 0.000 0.780 71 G HN 0.096 nan 8.290 nan 0.000 0.537 72 I N 1.787 122.308 120.570 -0.082 0.000 2.286 72 I HA -0.005 4.165 4.170 -0.000 0.000 0.245 72 I C 3.255 179.264 176.117 -0.180 0.000 1.104 72 I CA 1.016 62.231 61.300 -0.141 0.000 1.397 72 I CB -1.349 36.539 38.000 -0.186 0.000 1.072 72 I HN 0.245 nan 8.210 nan 0.000 0.417 73 A N 1.173 123.898 122.820 -0.158 0.000 1.908 73 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 73 A C 2.573 180.038 177.584 -0.199 0.000 1.181 73 A CA 2.097 54.024 52.037 -0.185 0.000 0.627 73 A CB -0.808 18.098 19.000 -0.157 0.000 0.818 73 A HN 0.410 nan 8.150 nan 0.000 0.445 74 A N -0.882 121.851 122.820 -0.144 0.000 1.940 74 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 74 A C 2.132 179.667 177.584 -0.081 0.000 1.176 74 A CA 1.733 53.696 52.037 -0.123 0.000 0.631 74 A CB -0.513 18.434 19.000 -0.088 0.000 0.814 74 A HN 0.684 nan 8.150 nan 0.000 0.446 75 Q N -0.728 119.056 119.800 -0.028 0.000 2.083 75 Q HA -0.068 4.271 4.340 -0.000 0.000 0.198 75 Q C 2.161 178.272 176.000 0.185 0.000 0.969 75 Q CA 1.432 57.287 55.803 0.087 0.000 0.838 75 Q CB -0.240 28.610 28.738 0.186 0.000 0.900 75 Q HN 0.513 nan 8.270 nan 0.000 0.436 76 V N 1.426 121.397 119.914 0.095 0.000 2.407 76 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 76 V C 2.136 178.206 176.094 -0.040 0.000 1.055 76 V CA 1.100 63.475 62.300 0.125 0.000 1.049 76 V CB -0.432 31.323 31.823 -0.114 0.000 0.662 76 V HN 0.386 nan 8.190 nan 0.000 0.455 77 I N 0.050 120.407 120.570 -0.355 0.000 2.623 77 I HA -0.170 4.000 4.170 -0.000 0.000 0.261 77 I C 2.393 178.462 176.117 -0.080 0.000 1.204 77 I CA 1.409 62.372 61.300 -0.561 0.000 1.444 77 I CB -1.064 36.656 38.000 -0.468 0.000 1.094 77 I HN 0.336 nan 8.210 nan 0.000 0.451 78 R N -0.057 120.456 120.500 0.021 0.000 2.275 78 R HA 0.005 4.345 4.340 -0.000 0.000 0.199 78 R C 0.479 176.771 176.300 -0.013 0.000 0.989 78 R CA 0.212 56.313 56.100 0.000 0.000 1.016 78 R CB -0.414 29.852 30.300 -0.057 0.000 0.918 78 R HN 0.491 nan 8.270 nan 0.000 0.473 79 H N 2.200 121.380 119.070 0.185 0.000 3.216 79 H HA 0.063 4.619 4.556 -0.000 0.000 0.263 79 H C 1.128 176.633 175.328 0.294 0.000 1.601 79 H CA 0.044 56.243 56.048 0.252 0.000 1.509 79 H CB 0.167 30.087 29.762 0.263 0.000 1.759 79 H HN 0.190 nan 8.280 nan 0.000 0.533 80 R N 0.439 121.057 120.500 0.196 0.000 2.316 80 R HA -0.074 4.266 4.340 -0.000 0.000 0.202 80 R C 1.492 177.781 176.300 -0.019 0.000 1.029 80 R CA 0.963 57.133 56.100 0.116 0.000 1.018 80 R CB -0.084 30.245 30.300 0.049 0.000 0.888 80 R HN 0.290 nan 8.270 nan 0.000 0.471 81 S N -0.066 115.601 115.700 -0.055 0.000 2.489 81 S HA 0.035 4.504 4.470 -0.000 0.000 0.228 81 S C 0.399 174.675 174.600 -0.539 0.000 0.995 81 S CA -0.220 57.818 58.200 -0.270 0.000 0.934 81 S CB -0.251 62.771 63.200 -0.297 0.000 0.771 81 S HN 0.200 nan 8.310 nan 0.000 0.522 82 F N 2.243 121.905 119.950 -0.481 0.000 2.370 82 F HA 0.444 4.971 4.527 -0.000 0.000 0.324 82 F C 1.263 176.473 175.800 -0.984 0.000 1.116 82 F CA -0.740 56.791 58.000 -0.781 0.000 1.123 82 F CB 0.659 39.050 39.000 -1.016 0.000 1.238 82 F HN 0.146 nan 8.300 nan 0.000 0.536 83 H N 1.846 120.666 119.070 -0.417 0.000 2.469 83 H HA 0.390 4.946 4.556 -0.000 0.000 0.342 83 H C -1.154 173.915 175.328 -0.432 0.000 1.115 83 H CA -0.578 55.309 56.048 -0.269 0.000 1.204 83 H CB 1.329 31.108 29.762 0.028 0.000 1.492 83 H HN 0.389 nan 8.280 nan 0.000 0.499 84 F N 0.950 121.012 119.950 0.187 0.000 2.538 84 F HA 0.293 4.820 4.527 -0.000 0.000 0.325 84 F C 0.232 176.064 175.800 0.053 0.000 1.066 84 F CA -0.959 57.106 58.000 0.109 0.000 0.946 84 F CB 2.101 41.119 39.000 0.030 0.000 1.199 84 F HN 0.342 nan 8.300 nan 0.000 0.473 85 Q N 1.869 121.776 119.800 0.178 0.000 2.304 85 Q HA 0.401 4.741 4.340 -0.000 0.000 0.270 85 Q C -1.606 174.127 176.000 -0.445 0.000 1.035 85 Q CA -0.483 55.215 55.803 -0.175 0.000 0.781 85 Q CB 1.798 30.377 28.738 -0.265 0.000 1.261 85 Q HN 0.674 nan 8.270 nan 0.000 0.444 86 E N 2.941 122.831 120.200 -0.517 0.000 2.207 86 E HA 0.580 4.930 4.350 -0.000 0.000 0.270 86 E C -0.945 175.235 176.600 -0.701 0.000 0.927 86 E CA -0.658 55.451 56.400 -0.484 0.000 0.799 86 E CB 1.528 31.111 29.700 -0.195 0.000 1.172 86 E HN 0.430 nan 8.360 nan 0.000 0.404 87 F N 0.440 120.352 119.950 -0.063 0.000 2.561 87 F HA 0.274 4.801 4.527 -0.000 0.000 0.321 87 F C 0.887 176.672 175.800 -0.026 0.000 1.065 87 F CA -1.013 56.953 58.000 -0.057 0.000 0.934 87 F CB 1.554 40.504 39.000 -0.083 0.000 1.215 87 F HN 0.394 nan 8.300 nan 0.000 0.471 126 W N 2.339 123.662 121.300 0.037 0.000 2.355 126 W HA -0.028 4.632 4.660 -0.000 0.000 0.309 126 W C 1.773 178.157 176.519 -0.226 0.000 1.206 126 W CA 2.509 59.727 57.345 -0.211 0.000 1.284 126 W CB -0.556 28.943 29.460 0.064 0.000 1.145 126 W HN 0.003 nan 8.180 nan 0.000 0.502 127 A N 0.093 122.830 122.820 -0.137 0.000 2.216 127 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 127 A C 1.671 179.107 177.584 -0.246 0.000 1.160 127 A CA 1.846 53.736 52.037 -0.244 0.000 0.725 127 A CB -0.707 18.240 19.000 -0.088 0.000 0.784 127 A HN 0.323 nan 8.150 nan 0.000 0.472 128 T N -0.862 113.543 114.554 -0.248 0.000 3.004 128 T HA -0.005 4.345 4.350 -0.000 0.000 0.243 128 T C 1.678 176.189 174.700 -0.315 0.000 1.020 128 T CA 0.802 62.770 62.100 -0.220 0.000 1.145 128 T CB -0.107 68.683 68.868 -0.129 0.000 0.876 128 T HN 0.399 nan 8.240 nan 0.000 0.449 129 E N 1.791 121.683 120.200 -0.513 0.000 2.150 129 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 129 E C 2.273 178.605 176.600 -0.446 0.000 0.985 129 E CA 0.833 56.933 56.400 -0.501 0.000 0.814 129 E CB -0.170 29.085 29.700 -0.741 0.000 0.752 129 E HN 0.564 nan 8.360 nan 0.000 0.466 130 Q N 0.401 119.834 119.800 -0.612 0.000 2.046 130 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 130 Q C 1.946 177.769 176.000 -0.294 0.000 0.975 130 Q CA 1.145 56.606 55.803 -0.569 0.000 0.836 130 Q CB -0.008 28.237 28.738 -0.822 0.000 0.896 130 Q HN 0.082 nan 8.270 nan 0.000 0.428 131 E N 0.652 120.697 120.200 -0.259 0.000 2.150 131 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 131 E C 1.649 178.210 176.600 -0.064 0.000 0.985 131 E CA 1.076 57.401 56.400 -0.126 0.000 0.814 131 E CB 0.137 29.761 29.700 -0.127 0.000 0.752 131 E HN 0.087 nan 8.360 nan 0.000 0.466 132 K N -0.398 119.938 120.400 -0.107 0.000 2.057 132 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 132 K C 1.892 178.458 176.600 -0.058 0.000 1.050 132 K CA 0.619 56.861 56.287 -0.074 0.000 0.935 132 K CB -0.179 32.269 32.500 -0.086 0.000 0.715 132 K HN 0.056 nan 8.250 nan 0.000 0.439 133 L N -0.453 120.723 121.223 -0.078 0.000 2.072 133 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 133 L C 2.021 178.876 176.870 -0.024 0.000 1.079 133 L CA 1.413 56.219 54.840 -0.056 0.000 0.752 133 L CB -0.404 41.607 42.059 -0.079 0.000 0.906 133 L HN 0.206 nan 8.230 nan 0.000 0.436 134 Y N -0.008 120.213 120.300 -0.132 0.000 2.181 134 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 134 Y C 2.361 178.215 175.900 -0.076 0.000 1.146 134 Y CA 1.659 59.692 58.100 -0.111 0.000 1.164 134 Y CB -0.419 37.960 38.460 -0.135 0.000 0.982 134 Y HN 0.229 nan 8.280 nan 0.000 0.515 135 A N -0.216 122.601 122.820 -0.006 0.000 1.969 135 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 135 A C 2.212 179.742 177.584 -0.090 0.000 1.169 135 A CA 1.712 53.715 52.037 -0.056 0.000 0.635 135 A CB -0.763 18.238 19.000 0.000 0.000 0.810 135 A HN 0.657 nan 8.150 nan 0.000 0.445 136 Q N -0.380 119.375 119.800 -0.075 0.000 2.123 136 Q HA -0.105 4.235 4.340 -0.000 0.000 0.199 136 Q C 2.181 178.136 176.000 -0.074 0.000 0.966 136 Q CA 1.580 57.347 55.803 -0.060 0.000 0.845 136 Q CB -0.054 28.659 28.738 -0.042 0.000 0.907 136 Q HN 0.628 nan 8.270 nan 0.000 0.439 137 S N 0.162 115.789 115.700 -0.121 0.000 2.355 137 S HA -0.093 4.377 4.470 -0.000 0.000 0.222 137 S C 1.818 176.344 174.600 -0.123 0.000 1.031 137 S CA 1.009 59.134 58.200 -0.125 0.000 0.993 137 S CB -0.068 63.027 63.200 -0.175 0.000 0.859 137 S HN 0.377 nan 8.310 nan 0.000 0.453 138 M N 1.431 120.889 119.600 -0.238 0.000 2.229 138 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 138 M C 2.179 178.473 176.300 -0.010 0.000 1.063 138 M CA 1.063 56.275 55.300 -0.147 0.000 1.114 138 M CB -1.219 31.208 32.600 -0.288 0.000 1.387 138 M HN 0.362 nan 8.290 nan 0.000 0.420 139 E N 0.655 120.830 120.200 -0.042 0.000 2.031 139 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 139 E C 2.032 178.629 176.600 -0.005 0.000 0.994 139 E CA 1.234 57.622 56.400 -0.020 0.000 0.800 139 E CB -0.316 29.368 29.700 -0.028 0.000 0.752 139 E HN 0.359 nan 8.360 nan 0.000 0.447 140 L N 0.726 121.951 121.223 0.003 0.000 2.141 140 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 140 L C 2.404 179.299 176.870 0.042 0.000 1.094 140 L CA 1.648 56.496 54.840 0.014 0.000 0.763 140 L CB -1.013 41.055 42.059 0.015 0.000 0.908 140 L HN 0.214 nan 8.230 nan 0.000 0.437 141 Y N 0.466 120.730 120.300 -0.060 0.000 2.114 141 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 141 Y C 2.318 178.196 175.900 -0.038 0.000 1.143 141 Y CA 2.298 60.369 58.100 -0.048 0.000 1.135 141 Y CB -0.562 37.855 38.460 -0.071 0.000 0.980 141 Y HN 0.356 nan 8.280 nan 0.000 0.499 142 N N -0.176 118.452 118.700 -0.119 0.000 2.223 142 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 142 N C 1.778 177.189 175.510 -0.164 0.000 1.016 142 N CA 1.321 54.258 53.050 -0.189 0.000 0.863 142 N CB -0.156 38.302 38.487 -0.048 0.000 0.983 142 N HN 0.306 nan 8.380 nan 0.000 0.429 143 K N 0.287 120.624 120.400 -0.105 0.000 2.186 143 K HA 0.129 4.449 4.320 -0.000 0.000 0.202 143 K C 1.901 178.448 176.600 -0.088 0.000 1.052 143 K CA 0.566 56.806 56.287 -0.078 0.000 0.965 143 K CB 0.070 32.543 32.500 -0.046 0.000 0.746 143 K HN 0.103 nan 8.250 nan 0.000 0.457 144 A N 1.280 124.039 122.820 -0.102 0.000 1.902 144 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 144 A C 2.009 179.520 177.584 -0.121 0.000 1.181 144 A CA 1.158 53.141 52.037 -0.090 0.000 0.623 144 A CB -0.556 18.407 19.000 -0.063 0.000 0.818 144 A HN 0.257 nan 8.150 nan 0.000 0.443 145 L N -0.745 120.355 121.223 -0.205 0.000 2.046 145 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 145 L C 2.697 179.493 176.870 -0.123 0.000 1.077 145 L CA 1.615 56.339 54.840 -0.194 0.000 0.747 145 L CB -0.485 41.391 42.059 -0.305 0.000 0.896 145 L HN 0.476 nan 8.230 nan 0.000 0.432 146 E N 0.876 121.007 120.200 -0.114 0.000 2.204 146 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 146 E C 1.557 178.122 176.600 -0.057 0.000 0.989 146 E CA 0.989 57.343 56.400 -0.076 0.000 0.824 146 E CB 0.201 29.861 29.700 -0.068 0.000 0.756 146 E HN 0.435 nan 8.360 nan 0.000 0.477 147 K N -0.940 119.425 120.400 -0.059 0.000 2.417 147 K HA 0.076 4.396 4.320 -0.000 0.000 0.196 147 K C 0.873 177.449 176.600 -0.040 0.000 1.023 147 K CA 0.520 56.781 56.287 -0.044 0.000 1.122 147 K CB 0.647 33.124 32.500 -0.039 0.000 0.850 147 K HN 0.251 nan 8.250 nan 0.000 0.521 148 G N 1.393 110.165 108.800 -0.047 0.000 2.176 148 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.232 148 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.232 148 G C 0.101 174.978 174.900 -0.038 0.000 0.986 148 G CA -0.550 44.527 45.100 -0.039 0.000 0.643 148 G HN 0.145 nan 8.290 nan 0.000 0.522 149 I N 1.901 122.444 120.570 -0.046 0.000 2.517 149 I HA 0.519 4.689 4.170 -0.000 0.000 0.285 149 I C 0.757 176.851 176.117 -0.037 0.000 1.106 149 I CA 0.274 61.552 61.300 -0.038 0.000 1.402 149 I CB 0.483 38.462 38.000 -0.035 0.000 1.399 149 I HN 0.494 nan 8.210 nan 0.000 0.535 150 A N 6.326 129.135 122.820 -0.019 0.000 2.353 150 A HA 0.419 4.738 4.320 -0.000 0.000 0.299 150 A C 1.011 178.604 177.584 0.015 0.000 1.089 150 A CA -0.646 51.389 52.037 -0.004 0.000 0.736 150 A CB 1.289 20.286 19.000 -0.006 0.000 1.195 150 A HN 0.829 nan 8.150 nan 0.000 0.447 151 K N 1.026 121.441 120.400 0.025 0.000 5.547 151 K HA -0.414 3.906 4.320 -0.000 0.000 0.384 151 K C 1.363 178.059 176.600 0.159 0.000 0.697 151 K CA 3.086 59.427 56.287 0.090 0.000 1.285 151 K CB -0.714 31.845 32.500 0.098 0.000 1.171 151 K HN 0.954 nan 8.250 nan 0.000 0.786 152 E N -0.270 120.008 120.200 0.129 0.000 2.472 152 E HA -0.051 4.298 4.350 -0.000 0.000 0.200 152 E C 1.710 178.434 176.600 0.208 0.000 1.046 152 E CA 1.471 57.979 56.400 0.180 0.000 0.871 152 E CB -0.139 29.641 29.700 0.134 0.000 0.806 152 E HN 0.473 nan 8.360 nan 0.000 0.533 153 C N 0.277 119.644 119.300 0.112 0.000 2.513 153 C HA 0.414 4.873 4.460 -0.000 0.000 0.292 153 C C 2.809 177.891 174.990 0.154 0.000 1.359 153 C CA 0.323 59.363 59.018 0.035 0.000 1.778 153 C CB -0.521 27.199 27.740 -0.033 0.000 2.180 153 C HN 0.657 nan 8.230 nan 0.000 0.509 154 A N 0.916 123.843 122.820 0.178 0.000 1.930 154 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 154 A C 2.170 179.977 177.584 0.372 0.000 1.175 154 A CA 1.342 53.527 52.037 0.247 0.000 0.627 154 A CB -0.600 18.498 19.000 0.164 0.000 0.815 154 A HN 0.609 nan 8.150 nan 0.000 0.443 155 R N -1.594 119.126 120.500 0.367 0.000 2.133 155 R HA -0.201 4.139 4.340 -0.000 0.000 0.247 155 R C 1.648 178.016 176.300 0.113 0.000 1.151 155 R CA 1.975 58.191 56.100 0.193 0.000 0.971 155 R CB -0.488 29.914 30.300 0.170 0.000 0.866 155 R HN 0.622 nan 8.270 nan 0.000 0.447 156 F N 0.250 120.217 119.950 0.027 0.000 2.333 156 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 156 F C 2.015 177.815 175.800 0.000 0.000 1.083 156 F CA 0.832 58.837 58.000 0.008 0.000 1.395 156 F CB -0.076 38.933 39.000 0.015 0.000 1.056 156 F HN 0.131 nan 8.300 nan 0.000 0.529 157 I N -2.345 118.321 120.570 0.160 0.000 3.578 157 I HA 0.038 4.208 4.170 -0.000 0.000 0.295 157 I C 0.272 176.388 176.117 -0.003 0.000 1.280 157 I CA 0.037 61.385 61.300 0.080 0.000 1.347 157 I CB -0.175 37.877 38.000 0.087 0.000 1.051 157 I HN -0.237 nan 8.210 nan 0.000 0.460 158 L N 3.632 124.819 121.223 -0.060 0.000 2.426 158 L HA 0.354 4.694 4.340 -0.000 0.000 0.271 158 L C -1.700 175.123 176.870 -0.078 0.000 1.169 158 L CA -1.919 52.842 54.840 -0.133 0.000 0.836 158 L CB -0.492 41.428 42.059 -0.232 0.000 1.112 158 L HN 0.111 nan 8.230 nan 0.000 0.465 159 P HA 0.071 nan 4.420 nan 0.000 0.274 159 P C 0.634 177.928 177.300 -0.010 0.000 1.256 159 P CA -0.580 62.521 63.100 0.001 0.000 0.795 159 P CB 0.871 32.608 31.700 0.062 0.000 1.038 160 L N 0.988 122.203 121.223 -0.013 0.000 2.456 160 L HA -0.109 4.231 4.340 -0.000 0.000 0.224 160 L C 2.342 179.197 176.870 -0.025 0.000 1.148 160 L CA 1.783 56.607 54.840 -0.028 0.000 0.825 160 L CB -1.524 40.523 42.059 -0.020 0.000 0.937 160 L HN 0.444 nan 8.230 nan 0.000 0.450 161 S N -3.374 112.318 115.700 -0.014 0.000 2.522 161 S HA 0.003 4.473 4.470 -0.000 0.000 0.227 161 S C 0.992 175.562 174.600 -0.050 0.000 0.986 161 S CA -0.108 58.058 58.200 -0.058 0.000 0.929 161 S CB -0.942 62.187 63.200 -0.119 0.000 0.769 161 S HN 0.369 nan 8.310 nan 0.000 0.529 162 T N 5.217 119.797 114.554 0.044 0.000 2.822 162 T HA 0.193 4.543 4.350 -0.000 0.000 0.288 162 T C -2.493 172.204 174.700 -0.004 0.000 0.991 162 T CA -0.587 61.559 62.100 0.077 0.000 1.176 162 T CB 0.194 69.069 68.868 0.012 0.000 0.951 162 T HN 0.254 nan 8.240 nan 0.000 0.526 163 P HA 0.247 nan 4.420 nan 0.000 0.267 163 P C -0.108 177.185 177.300 -0.010 0.000 1.200 163 P CA -0.117 62.972 63.100 -0.018 0.000 0.772 163 P CB 0.593 32.288 31.700 -0.008 0.000 0.855 164 T N 0.782 115.332 114.554 -0.008 0.000 2.868 164 T HA 0.530 4.880 4.350 -0.000 0.000 0.306 164 T C -1.310 173.414 174.700 0.039 0.000 1.224 164 T CA -0.382 61.722 62.100 0.007 0.000 1.012 164 T CB 0.903 69.759 68.868 -0.020 0.000 1.221 164 T HN 0.175 nan 8.240 nan 0.000 0.499 165 T N 4.608 119.211 114.554 0.083 0.000 2.812 165 T HA 0.678 5.028 4.350 -0.000 0.000 0.282 165 T C -0.544 174.279 174.700 0.205 0.000 0.990 165 T CA -0.649 61.539 62.100 0.146 0.000 0.960 165 T CB 0.512 69.474 68.868 0.157 0.000 0.948 165 T HN 0.618 nan 8.240 nan 0.000 0.438 166 I N -0.375 120.329 120.570 0.224 0.000 2.828 166 I HA 0.602 4.772 4.170 -0.000 0.000 0.302 166 I C -1.650 174.748 176.117 0.469 0.000 1.101 166 I CA -1.247 60.201 61.300 0.247 0.000 1.031 166 I CB 1.776 39.851 38.000 0.125 0.000 1.231 166 I HN 0.371 nan 8.210 nan 0.000 0.427 167 Y N 3.886 124.340 120.300 0.257 0.000 2.310 167 Y HA 0.553 5.103 4.550 -0.000 0.000 0.326 167 Y C 0.267 176.329 175.900 0.268 0.000 1.151 167 Y CA -1.510 56.746 58.100 0.261 0.000 1.195 167 Y CB 1.550 40.168 38.460 0.264 0.000 1.210 167 Y HN 0.563 nan 8.280 nan 0.000 0.483 168 M N 2.826 122.645 119.600 0.364 0.000 2.142 168 M HA 0.489 4.969 4.480 -0.000 0.000 0.299 168 M C -1.357 175.056 176.300 0.188 0.000 0.960 168 M CA -0.069 55.337 55.300 0.176 0.000 0.920 168 M CB 0.774 33.437 32.600 0.104 0.000 1.541 168 M HN 0.561 nan 8.290 nan 0.000 0.429 169 S N 2.742 118.462 115.700 0.034 0.000 2.500 169 S HA 0.990 5.460 4.470 -0.000 0.000 0.301 169 S C -0.393 174.054 174.600 -0.255 0.000 1.092 169 S CA -0.726 57.449 58.200 -0.041 0.000 1.030 169 S CB 2.002 65.255 63.200 0.088 0.000 1.031 169 S HN 0.949 nan 8.310 nan 0.000 0.483 170 G N 0.971 109.375 108.800 -0.661 0.000 2.506 170 G HA2 0.565 4.525 3.960 -0.000 0.000 0.292 170 G HA3 0.565 4.525 3.960 -0.000 0.000 0.292 170 G C -0.516 174.082 174.900 -0.503 0.000 1.425 170 G CA -0.456 44.187 45.100 -0.762 0.000 0.788 170 G HN 0.777 nan 8.290 nan 0.000 0.490 171 T N -0.988 113.470 114.554 -0.160 0.000 2.748 171 T HA 0.296 4.646 4.350 -0.000 0.000 0.304 171 T C 1.508 176.314 174.700 0.176 0.000 1.041 171 T CA -0.395 61.783 62.100 0.130 0.000 1.033 171 T CB 0.609 69.570 68.868 0.154 0.000 0.995 171 T HN 0.277 nan 8.240 nan 0.000 0.536 172 I N 0.439 121.137 120.570 0.214 0.000 2.315 172 I HA -0.055 4.115 4.170 -0.000 0.000 0.248 172 I C 2.714 178.961 176.117 0.217 0.000 1.117 172 I CA 1.111 62.531 61.300 0.199 0.000 1.404 172 I CB -1.516 36.381 38.000 -0.170 0.000 1.071 172 I HN 0.829 nan 8.210 nan 0.000 0.419 173 R N 1.193 121.792 120.500 0.166 0.000 2.113 173 R HA -0.229 4.111 4.340 -0.000 0.000 0.244 173 R C 1.654 177.885 176.300 -0.115 0.000 1.142 173 R CA 2.221 58.327 56.100 0.010 0.000 0.953 173 R CB -0.153 30.205 30.300 0.096 0.000 0.860 173 R HN 0.354 nan 8.270 nan 0.000 0.438 174 D N -1.011 119.317 120.400 -0.121 0.000 2.162 174 D HA -0.140 4.500 4.640 -0.000 0.000 0.203 174 D C 1.736 178.062 176.300 0.043 0.000 0.967 174 D CA 0.933 54.779 54.000 -0.257 0.000 0.840 174 D CB -0.476 39.801 40.800 -0.872 0.000 0.972 174 D HN 0.354 nan 8.370 nan 0.000 0.482 175 W N 1.379 122.802 121.300 0.205 0.000 2.358 175 W HA -0.038 4.622 4.660 -0.000 0.000 0.303 175 W C 2.348 178.979 176.519 0.185 0.000 1.208 175 W CA 0.243 57.834 57.345 0.410 0.000 1.274 175 W CB -0.316 29.426 29.460 0.469 0.000 1.138 175 W HN -0.095 nan 8.180 nan 0.000 0.515 176 I N -0.713 119.967 120.570 0.184 0.000 2.163 176 I HA -0.366 3.803 4.170 -0.000 0.000 0.243 176 I C 1.849 177.919 176.117 -0.078 0.000 1.085 176 I CA 1.744 62.959 61.300 -0.143 0.000 1.347 176 I CB -0.660 37.042 38.000 -0.496 0.000 1.044 176 I HN 0.087 nan 8.210 nan 0.000 0.408 177 H N -1.972 117.136 119.070 0.062 0.000 2.512 177 H HA -0.109 4.447 4.556 -0.000 0.000 0.279 177 H C 1.813 177.202 175.328 0.100 0.000 0.999 177 H CA 0.815 56.880 56.048 0.030 0.000 1.283 177 H CB 0.064 29.774 29.762 -0.088 0.000 1.421 177 H HN 0.354 nan 8.280 nan 0.000 0.554 178 Y N 1.158 121.552 120.300 0.158 0.000 2.153 178 Y HA -0.147 4.403 4.550 -0.000 0.000 0.289 178 Y C 1.985 177.867 175.900 -0.030 0.000 1.127 178 Y CA 1.255 59.360 58.100 0.008 0.000 1.131 178 Y CB -0.395 37.981 38.460 -0.139 0.000 0.995 178 Y HN 0.047 nan 8.280 nan 0.000 0.505 179 I N 0.557 121.101 120.570 -0.044 0.000 2.127 179 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 179 I C 2.399 178.340 176.117 -0.294 0.000 1.075 179 I CA 1.752 62.917 61.300 -0.226 0.000 1.334 179 I CB -0.463 37.454 38.000 -0.138 0.000 1.040 179 I HN 0.307 nan 8.210 nan 0.000 0.405 180 E N 0.353 120.496 120.200 -0.095 0.000 2.118 180 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 180 E C 2.124 178.665 176.600 -0.098 0.000 0.992 180 E CA 1.315 57.690 56.400 -0.043 0.000 0.804 180 E CB -0.263 29.527 29.700 0.149 0.000 0.741 180 E HN 0.347 nan 8.360 nan 0.000 0.458 181 L N 0.949 122.103 121.223 -0.114 0.000 2.023 181 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 181 L C 1.979 178.707 176.870 -0.237 0.000 1.073 181 L CA 1.608 56.372 54.840 -0.127 0.000 0.745 181 L CB -0.068 41.958 42.059 -0.055 0.000 0.900 181 L HN -0.132 nan 8.230 nan 0.000 0.435 182 R N -0.504 119.742 120.500 -0.423 0.000 2.313 182 R HA 0.115 4.455 4.340 -0.000 0.000 0.199 182 R C 1.331 177.424 176.300 -0.344 0.000 0.958 182 R CA 0.934 56.726 56.100 -0.514 0.000 1.047 182 R CB -1.115 28.646 30.300 -0.899 0.000 0.955 182 R HN 0.602 nan 8.270 nan 0.000 0.481 183 T N -3.189 111.189 114.554 -0.293 0.000 3.145 183 T HA 0.267 4.617 4.350 -0.000 0.000 0.255 183 T C 0.620 175.219 174.700 -0.168 0.000 1.039 183 T CA -0.342 61.624 62.100 -0.223 0.000 0.928 183 T CB 0.338 69.041 68.868 -0.275 0.000 1.029 183 T HN -0.208 nan 8.240 nan 0.000 0.554 184 S N 1.618 117.227 115.700 -0.152 0.000 2.646 184 S HA 0.319 4.789 4.470 -0.000 0.000 0.276 184 S C 1.123 175.671 174.600 -0.085 0.000 1.222 184 S CA -0.808 57.330 58.200 -0.104 0.000 1.014 184 S CB 1.051 64.199 63.200 -0.087 0.000 0.991 184 S HN 0.492 nan 8.310 nan 0.000 0.533 185 N N 1.532 120.195 118.700 -0.062 0.000 2.069 185 N HA -0.177 4.563 4.740 -0.000 0.000 0.196 185 N C 1.745 177.226 175.510 -0.048 0.000 1.024 185 N CA 1.098 54.119 53.050 -0.048 0.000 0.869 185 N CB -0.286 38.180 38.487 -0.036 0.000 1.035 185 N HN 0.739 nan 8.380 nan 0.000 0.434 186 G N -0.120 108.650 108.800 -0.051 0.000 2.708 186 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.210 186 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.210 186 G C 0.496 175.363 174.900 -0.055 0.000 1.141 186 G CA 0.569 45.641 45.100 -0.047 0.000 0.788 186 G HN 0.292 nan 8.290 nan 0.000 0.531 187 T N -0.684 113.826 114.554 -0.073 0.000 2.925 187 T HA 0.477 4.826 4.350 -0.000 0.000 0.285 187 T C 0.265 174.942 174.700 -0.038 0.000 1.021 187 T CA -0.723 61.328 62.100 -0.083 0.000 1.042 187 T CB 1.386 70.144 68.868 -0.184 0.000 1.037 187 T HN 0.386 nan 8.240 nan 0.000 0.481 188 Q N 3.028 122.830 119.800 0.004 0.000 2.394 188 Q HA 0.303 4.643 4.340 -0.000 0.000 0.248 188 Q C 1.319 177.344 176.000 0.043 0.000 0.992 188 Q CA -0.723 55.097 55.803 0.028 0.000 0.888 188 Q CB 0.834 29.599 28.738 0.045 0.000 1.257 188 Q HN 0.750 nan 8.270 nan 0.000 0.462 189 R N 1.447 121.964 120.500 0.027 0.000 2.113 189 R HA -0.243 4.097 4.340 -0.000 0.000 0.244 189 R C 1.878 178.197 176.300 0.033 0.000 1.142 189 R CA 2.577 58.689 56.100 0.021 0.000 0.953 189 R CB -0.172 30.137 30.300 0.015 0.000 0.860 189 R HN 0.914 nan 8.270 nan 0.000 0.438 190 E N -1.329 118.895 120.200 0.041 0.000 2.208 190 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 190 E C 1.767 178.397 176.600 0.050 0.000 0.988 190 E CA 1.491 57.908 56.400 0.029 0.000 0.828 190 E CB -0.579 29.126 29.700 0.008 0.000 0.763 190 E HN 0.678 nan 8.360 nan 0.000 0.478 191 H N 0.676 119.741 119.070 -0.008 0.000 2.395 191 H HA 0.114 4.670 4.556 -0.000 0.000 0.299 191 H C 2.221 177.525 175.328 -0.040 0.000 1.070 191 H CA 1.004 57.048 56.048 -0.008 0.000 1.356 191 H CB 0.134 29.893 29.762 -0.005 0.000 1.401 191 H HN 0.027 nan 8.280 nan 0.000 0.524 192 I N 0.715 121.345 120.570 0.100 0.000 2.163 192 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 192 I C 1.793 177.909 176.117 -0.002 0.000 1.085 192 I CA 1.358 62.657 61.300 -0.002 0.000 1.347 192 I CB -0.200 37.781 38.000 -0.032 0.000 1.044 192 I HN 0.367 nan 8.210 nan 0.000 0.408 193 D N 0.780 121.188 120.400 0.013 0.000 2.117 193 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 193 D C 2.280 178.589 176.300 0.016 0.000 0.987 193 D CA 1.108 55.110 54.000 0.003 0.000 0.829 193 D CB -0.296 40.505 40.800 0.001 0.000 0.961 193 D HN 0.292 nan 8.370 nan 0.000 0.460 194 L N 0.701 121.949 121.223 0.040 0.000 2.017 194 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 194 L C 2.347 179.285 176.870 0.113 0.000 1.073 194 L CA 1.405 56.282 54.840 0.062 0.000 0.745 194 L CB -0.308 41.773 42.059 0.037 0.000 0.894 194 L HN -0.028 nan 8.230 nan 0.000 0.432 195 A N -0.334 122.563 122.820 0.128 0.000 1.972 195 A HA -0.226 4.093 4.320 -0.000 0.000 0.219 195 A C 1.914 179.492 177.584 -0.011 0.000 1.169 195 A CA 1.790 53.874 52.037 0.079 0.000 0.635 195 A CB -0.557 18.357 19.000 -0.143 0.000 0.810 195 A HN 0.520 nan 8.150 nan 0.000 0.446 196 N N 0.180 118.853 118.700 -0.045 0.000 2.270 196 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 196 N C 1.896 177.382 175.510 -0.039 0.000 1.016 196 N CA 1.258 54.258 53.050 -0.082 0.000 0.870 196 N CB -0.397 38.041 38.487 -0.082 0.000 0.979 196 N HN 0.458 nan 8.380 nan 0.000 0.431 197 A N 0.558 123.377 122.820 -0.002 0.000 1.902 197 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 197 A C 2.636 180.231 177.584 0.018 0.000 1.181 197 A CA 1.208 53.251 52.037 0.010 0.000 0.623 197 A CB -0.903 18.109 19.000 0.021 0.000 0.818 197 A HN 0.422 nan 8.150 nan 0.000 0.443 198 C N -0.833 118.497 119.300 0.050 0.000 2.446 198 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 198 C C 2.655 177.672 174.990 0.046 0.000 1.275 198 C CA 1.230 60.277 59.018 0.048 0.000 1.727 198 C CB -1.028 26.841 27.740 0.216 0.000 2.010 198 C HN 0.741 nan 8.230 nan 0.000 0.486 199 K N 1.362 121.762 120.400 0.001 0.000 2.063 199 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 199 K C 2.041 178.686 176.600 0.074 0.000 1.048 199 K CA 2.085 58.332 56.287 -0.066 0.000 0.928 199 K CB -0.244 32.075 32.500 -0.303 0.000 0.713 199 K HN 0.613 nan 8.250 nan 0.000 0.442 200 E N 0.594 120.815 120.200 0.035 0.000 2.077 200 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 200 E C 1.850 178.499 176.600 0.080 0.000 0.989 200 E CA 1.626 58.059 56.400 0.056 0.000 0.800 200 E CB -0.146 29.564 29.700 0.017 0.000 0.746 200 E HN 0.419 nan 8.360 nan 0.000 0.452 201 I N 0.033 120.638 120.570 0.057 0.000 2.252 201 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 201 I C 2.188 178.355 176.117 0.084 0.000 1.102 201 I CA 1.005 62.318 61.300 0.022 0.000 1.385 201 I CB -0.332 37.638 38.000 -0.049 0.000 1.064 201 I HN 0.187 nan 8.210 nan 0.000 0.414 202 F N 1.642 121.607 119.950 0.024 0.000 2.069 202 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 202 F C 2.408 178.369 175.800 0.270 0.000 1.113 202 F CA 1.827 59.938 58.000 0.185 0.000 1.214 202 F CB -0.151 39.000 39.000 0.251 0.000 0.978 202 F HN -0.118 nan 8.300 nan 0.000 0.474 203 I N 0.331 121.259 120.570 0.597 0.000 2.145 203 I HA -0.399 3.771 4.170 -0.000 0.000 0.244 203 I C 2.458 178.684 176.117 0.182 0.000 1.075 203 I CA 1.828 63.379 61.300 0.417 0.000 1.332 203 I CB -0.523 37.672 38.000 0.325 0.000 1.033 203 I HN 0.159 nan 8.210 nan 0.000 0.410 204 K N 0.392 120.848 120.400 0.094 0.000 2.026 204 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 204 K C 2.097 178.628 176.600 -0.116 0.000 1.048 204 K CA 1.381 57.663 56.287 -0.008 0.000 0.929 204 K CB 0.088 32.573 32.500 -0.025 0.000 0.713 204 K HN 0.173 nan 8.250 nan 0.000 0.439 205 E N -0.707 119.360 120.200 -0.220 0.000 2.158 205 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 205 E C 0.201 176.274 176.600 -0.878 0.000 0.982 205 E CA 0.843 56.893 56.400 -0.584 0.000 0.823 205 E CB 0.194 29.424 29.700 -0.783 0.000 0.766 205 E HN 0.120 nan 8.360 nan 0.000 0.468 209 I N 2.838 123.495 120.570 0.145 0.000 2.286 209 I HA -0.032 4.138 4.170 -0.000 0.000 0.245 209 I C 2.671 178.773 176.117 -0.026 0.000 1.104 209 I CA 1.378 62.742 61.300 0.108 0.000 1.397 209 I CB -0.353 37.774 38.000 0.211 0.000 1.072 209 I HN 0.380 nan 8.210 nan 0.000 0.417 210 A N 0.945 123.827 122.820 0.104 0.000 1.972 210 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 210 A C 2.400 179.992 177.584 0.014 0.000 1.169 210 A CA 1.927 54.005 52.037 0.067 0.000 0.635 210 A CB -0.475 18.730 19.000 0.342 0.000 0.810 210 A HN 0.393 nan 8.150 nan 0.000 0.446 211 K N -0.454 119.966 120.400 0.033 0.000 2.076 211 K HA 0.070 4.390 4.320 -0.000 0.000 0.204 211 K C 2.151 178.727 176.600 -0.039 0.000 1.051 211 K CA 0.987 57.286 56.287 0.019 0.000 0.949 211 K CB -0.335 32.186 32.500 0.035 0.000 0.726 211 K HN 0.304 nan 8.250 nan 0.000 0.443 212 A N 1.242 124.025 122.820 -0.061 0.000 1.948 212 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 212 A C 1.914 179.393 177.584 -0.175 0.000 1.177 212 A CA 1.349 53.326 52.037 -0.100 0.000 0.636 212 A CB -0.537 18.422 19.000 -0.069 0.000 0.815 212 A HN 0.364 nan 8.150 nan 0.000 0.449 213 L N -0.910 120.137 121.223 -0.294 0.000 2.591 213 L HA 0.027 4.367 4.340 -0.000 0.000 0.228 213 L C -0.172 176.572 176.870 -0.211 0.000 1.133 213 L CA 0.122 54.706 54.840 -0.426 0.000 0.880 213 L CB -0.244 41.171 42.059 -1.074 0.000 1.033 213 L HN 0.314 nan 8.230 nan 0.000 0.450 214 D N -1.476 118.875 120.400 -0.081 0.000 2.837 214 D HA -0.202 4.438 4.640 -0.000 0.000 0.230 214 D C -0.137 176.296 176.300 0.221 0.000 1.152 214 D CA 0.671 54.704 54.000 0.054 0.000 0.736 214 D CB -0.906 39.922 40.800 0.046 0.000 1.084 214 D HN 0.214 nan 8.370 nan 0.000 0.429 215 W N 0.000 121.302 121.300 0.003 0.000 2.388 215 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 215 W CA 0.000 57.345 57.345 0.000 0.000 1.226 215 W CB 0.000 29.459 29.460 -0.001 0.000 1.126 215 W HN 0.000 nan 8.180 nan 0.000 0.535