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 1exm_1_A DATA FIRST_RESID 3 DATA SEQUENCE GEFIRTKPHV NVGTIGHVDH GKTTLTAALT FVTAAENPNV EVKDYGDIDK DATA SEQUENCE APEERARGIT INTAHVEYET AKRHYSHVDC PGHADYIKNM ITGAAQMDGA DATA SEQUENCE ILVVSAADGP MPQTREHILL ARQVGVPYIV VFMNKVDMVD DPELLDLVEM DATA SEQUENCE EVRDLLNQYE FPGDEVPVIR GSALLALEQM HRNPKTRRGE NEWVDKIWEL DATA SEQUENCE LDAIDEYIPT PVRDVDKPFL MPVEDVFTIT GRGTVATGRI ERGKVKVGDE DATA SEQUENCE VEIVGLAPET RKTVVTGVEM HRKTLQEGIA GDNVGVLLRG VSREEVERGQ DATA SEQUENCE VLAKPGSITP HTKFEASVYV LKKEEGGRHT GFFSGYRPQF YFRTTDVTGV DATA SEQUENCE VQLPPGVEMV MPGDNVTFTV ELIKPVALEE GLRFAIREGG RTVGAGVVTK DATA SEQUENCE ILE 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 3 G C 0.000 174.933 174.900 0.054 0.000 0.946 3 G CA 0.000 45.122 45.100 0.036 0.000 0.502 4 E N -0.225 120.002 120.200 0.045 0.000 2.216 4 E HA 0.528 4.878 4.350 -0.001 0.000 0.279 4 E C -1.008 175.646 176.600 0.090 0.000 0.997 4 E CA -0.811 55.631 56.400 0.069 0.000 0.817 4 E CB 1.167 30.893 29.700 0.043 0.000 1.096 4 E HN 0.325 nan 8.360 nan 0.000 0.393 5 F N 5.961 125.903 119.950 -0.014 0.000 2.506 5 F HA 0.205 4.731 4.527 -0.001 0.000 0.371 5 F C -0.557 175.217 175.800 -0.043 0.000 1.078 5 F CA -0.412 57.572 58.000 -0.028 0.000 1.195 5 F CB 0.368 39.340 39.000 -0.047 0.000 1.099 5 F HN 0.331 nan 8.300 nan 0.000 0.548 6 I N 7.573 127.845 120.570 -0.497 0.000 2.328 6 I HA 0.272 4.441 4.170 -0.001 0.000 0.287 6 I C 0.056 175.908 176.117 -0.442 0.000 1.012 6 I CA -0.521 60.598 61.300 -0.302 0.000 1.195 6 I CB 1.143 39.020 38.000 -0.205 0.000 1.350 6 I HN 0.550 nan 8.210 nan 0.000 0.464 7 R N 4.165 124.606 120.500 -0.098 0.000 2.370 7 R HA 0.230 4.570 4.340 -0.001 0.000 0.309 7 R C 0.867 177.141 176.300 -0.042 0.000 1.059 7 R CA 0.185 56.294 56.100 0.014 0.000 0.981 7 R CB 0.569 30.960 30.300 0.151 0.000 0.972 7 R HN 0.724 nan 8.270 nan 0.000 0.437 8 T N -0.974 113.549 114.554 -0.052 0.000 2.992 8 T HA 0.088 4.437 4.350 -0.001 0.000 0.255 8 T C 0.230 174.935 174.700 0.008 0.000 0.938 8 T CA -0.336 61.748 62.100 -0.027 0.000 0.895 8 T CB 0.349 69.188 68.868 -0.048 0.000 1.221 8 T HN 0.573 nan 8.240 nan 0.000 0.512 9 K N 0.901 121.319 120.400 0.030 0.000 2.522 9 K HA 0.725 5.045 4.320 -0.001 0.000 0.275 9 K C -3.429 173.214 176.600 0.071 0.000 1.006 9 K CA -2.185 54.131 56.287 0.048 0.000 0.890 9 K CB 0.459 32.990 32.500 0.051 0.000 1.475 9 K HN -0.226 nan 8.250 nan 0.000 0.441 10 P HA 0.000 nan 4.420 nan 0.000 0.267 10 P C -1.302 176.043 177.300 0.074 0.000 1.200 10 P CA 0.127 63.259 63.100 0.053 0.000 0.772 10 P CB 0.224 31.932 31.700 0.012 0.000 0.855 11 H N 1.364 120.441 119.070 0.011 0.000 2.466 11 H HA 0.614 5.169 4.556 -0.001 0.000 0.338 11 H C -1.235 174.095 175.328 0.004 0.000 1.091 11 H CA -0.630 55.446 56.048 0.047 0.000 1.207 11 H CB 0.756 30.569 29.762 0.085 0.000 1.466 11 H HN 0.039 nan 8.280 nan 0.000 0.493 12 V N 5.046 124.513 119.914 -0.745 0.000 2.876 12 V HA 0.311 4.431 4.120 -0.001 0.000 0.312 12 V C -0.576 175.268 176.094 -0.416 0.000 1.085 12 V CA -1.154 60.871 62.300 -0.458 0.000 0.945 12 V CB 2.194 33.917 31.823 -0.167 0.000 1.017 12 V HN 0.866 nan 8.190 nan 0.000 0.428 13 N N 2.548 121.154 118.700 -0.156 0.000 2.424 13 N HA 0.617 5.356 4.740 -0.001 0.000 0.271 13 N C -0.443 175.086 175.510 0.033 0.000 0.985 13 N CA -0.118 52.924 53.050 -0.013 0.000 0.921 13 N CB 2.480 41.002 38.487 0.058 0.000 1.149 13 N HN 0.616 nan 8.380 nan 0.000 0.492 14 V N -0.859 119.066 119.914 0.018 0.000 3.182 14 V HA 1.055 5.174 4.120 -0.001 0.000 0.311 14 V C 0.415 176.359 176.094 -0.249 0.000 1.221 14 V CA -0.779 61.488 62.300 -0.054 0.000 1.060 14 V CB 1.537 33.345 31.823 -0.025 0.000 1.164 14 V HN 0.678 nan 8.190 nan 0.000 0.466 15 G N -0.428 108.134 108.800 -0.396 0.000 2.451 15 G HA2 0.615 4.575 3.960 -0.001 0.000 0.292 15 G HA3 0.615 4.575 3.960 -0.001 0.000 0.292 15 G C -0.920 173.724 174.900 -0.426 0.000 1.427 15 G CA 0.014 44.741 45.100 -0.621 0.000 0.792 15 G HN 1.445 nan 8.290 nan 0.000 0.498 16 T N -0.825 113.569 114.554 -0.266 0.000 2.792 16 T HA 0.723 5.072 4.350 -0.001 0.000 0.280 16 T C 0.137 174.852 174.700 0.026 0.000 0.990 16 T CA -0.535 61.553 62.100 -0.021 0.000 0.960 16 T CB 1.211 70.164 68.868 0.143 0.000 0.939 16 T HN 1.157 nan 8.240 nan 0.000 0.439 17 I N -0.824 119.784 120.570 0.064 0.000 3.108 17 I HA 1.004 5.174 4.170 -0.001 0.000 0.312 17 I C 0.141 176.386 176.117 0.214 0.000 1.095 17 I CA -1.217 60.179 61.300 0.159 0.000 1.000 17 I CB 2.061 40.122 38.000 0.103 0.000 1.229 17 I HN 1.090 nan 8.210 nan 0.000 0.454 18 G N 0.666 109.659 108.800 0.322 0.000 2.347 18 G HA2 0.120 4.079 3.960 -0.001 0.000 0.321 18 G HA3 0.120 4.079 3.960 -0.001 0.000 0.321 18 G C -1.698 173.055 174.900 -0.246 0.000 1.412 18 G CA -0.960 44.153 45.100 0.022 0.000 0.990 18 G HN 1.140 nan 8.290 nan 0.000 0.637 19 H N -0.800 117.979 119.070 -0.484 0.000 2.852 19 H HA 0.400 4.956 4.556 -0.001 0.000 0.362 19 H C 1.178 176.222 175.328 -0.473 0.000 1.122 19 H CA 1.000 56.655 56.048 -0.655 0.000 1.419 19 H CB 1.228 30.393 29.762 -0.994 0.000 1.401 19 H HN 0.867 nan 8.280 nan 0.000 0.609 20 V N 4.514 123.963 119.914 -0.776 0.000 2.694 20 V HA -0.096 4.024 4.120 -0.001 0.000 0.306 20 V C 0.251 176.298 176.094 -0.079 0.000 1.054 20 V CA 1.154 63.248 62.300 -0.344 0.000 1.161 20 V CB -0.038 31.563 31.823 -0.370 0.000 0.916 20 V HN 1.169 nan 8.190 nan 0.000 0.490 21 D N 2.746 123.181 120.400 0.059 0.000 2.978 21 D HA -0.224 4.415 4.640 -0.001 0.000 0.205 21 D C 0.912 177.369 176.300 0.261 0.000 1.093 21 D CA 1.798 55.893 54.000 0.158 0.000 1.006 21 D CB -1.190 39.702 40.800 0.154 0.000 1.116 21 D HN 0.973 nan 8.370 nan 0.000 0.419 22 H N -0.256 118.862 119.070 0.080 0.000 2.559 22 H HA 0.190 4.745 4.556 -0.001 0.000 0.273 22 H C 1.868 177.244 175.328 0.079 0.000 1.000 22 H CA 0.719 56.815 56.048 0.080 0.000 1.195 22 H CB 0.420 30.238 29.762 0.094 0.000 1.368 22 H HN 0.399 nan 8.280 nan 0.000 0.592 23 G N 0.974 109.885 108.800 0.187 0.000 2.141 23 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.164 23 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.164 23 G C 0.938 175.907 174.900 0.115 0.000 1.009 23 G CA 0.111 45.286 45.100 0.124 0.000 0.677 23 G HN 0.306 nan 8.290 nan 0.000 0.508 24 K N -0.272 120.209 120.400 0.135 0.000 2.057 24 K HA -0.053 4.266 4.320 -0.001 0.000 0.207 24 K C 2.455 179.124 176.600 0.115 0.000 1.049 24 K CA 1.848 58.209 56.287 0.123 0.000 0.931 24 K CB -0.238 32.341 32.500 0.132 0.000 0.714 24 K HN 0.316 nan 8.250 nan 0.000 0.440 25 T N 0.615 115.256 114.554 0.145 0.000 2.904 25 T HA -0.068 4.281 4.350 -0.001 0.000 0.267 25 T C 1.910 176.721 174.700 0.185 0.000 1.059 25 T CA 1.416 63.619 62.100 0.171 0.000 1.137 25 T CB -0.196 68.790 68.868 0.197 0.000 0.879 25 T HN 0.248 nan 8.240 nan 0.000 0.467 26 T N 2.511 117.148 114.554 0.138 0.000 2.777 26 T HA -0.004 4.346 4.350 -0.001 0.000 0.266 26 T C 1.876 176.544 174.700 -0.054 0.000 1.040 26 T CA 0.714 62.817 62.100 0.005 0.000 1.141 26 T CB -0.402 68.398 68.868 -0.115 0.000 0.868 26 T HN 0.131 nan 8.240 nan 0.000 0.444 27 L N 1.170 122.344 121.223 -0.082 0.000 2.083 27 L HA -0.052 4.288 4.340 -0.001 0.000 0.209 27 L C 2.423 179.162 176.870 -0.218 0.000 1.083 27 L CA 1.775 56.488 54.840 -0.212 0.000 0.752 27 L CB -1.173 40.721 42.059 -0.274 0.000 0.899 27 L HN 0.156 nan 8.230 nan 0.000 0.433 28 T N -0.140 114.330 114.554 -0.141 0.000 2.746 28 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 28 T C 1.902 176.494 174.700 -0.180 0.000 1.039 28 T CA 1.390 63.339 62.100 -0.252 0.000 1.142 28 T CB -0.500 68.275 68.868 -0.154 0.000 0.866 28 T HN 0.537 nan 8.240 nan 0.000 0.444 29 A N 1.372 124.173 122.820 -0.031 0.000 1.898 29 A HA 0.197 4.516 4.320 -0.001 0.000 0.216 29 A C 2.642 180.287 177.584 0.103 0.000 1.181 29 A CA 1.755 53.846 52.037 0.091 0.000 0.620 29 A CB -1.074 18.046 19.000 0.200 0.000 0.819 29 A HN 0.498 nan 8.150 nan 0.000 0.442 30 A N -0.199 122.596 122.820 -0.042 0.000 1.933 30 A HA -0.060 4.260 4.320 -0.001 0.000 0.218 30 A C 2.147 179.610 177.584 -0.202 0.000 1.175 30 A CA 1.496 53.472 52.037 -0.102 0.000 0.628 30 A CB -0.616 18.271 19.000 -0.188 0.000 0.814 30 A HN 0.477 nan 8.150 nan 0.000 0.444 31 L N -0.063 120.944 121.223 -0.360 0.000 2.079 31 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 31 L C 3.053 179.590 176.870 -0.556 0.000 1.081 31 L CA 1.897 56.359 54.840 -0.629 0.000 0.752 31 L CB -0.864 40.628 42.059 -0.944 0.000 0.896 31 L HN 0.686 nan 8.230 nan 0.000 0.433 32 T N -3.129 111.236 114.554 -0.316 0.000 2.857 32 T HA -0.149 4.200 4.350 -0.001 0.000 0.266 32 T C 1.672 176.248 174.700 -0.207 0.000 1.048 32 T CA 0.908 62.881 62.100 -0.212 0.000 1.139 32 T CB -0.591 68.181 68.868 -0.160 0.000 0.874 32 T HN 0.102 nan 8.240 nan 0.000 0.455 33 F N 1.244 121.074 119.950 -0.200 0.000 2.146 33 F HA 0.084 4.610 4.527 -0.001 0.000 0.298 33 F C 2.737 178.439 175.800 -0.162 0.000 1.096 33 F CA 0.680 58.578 58.000 -0.170 0.000 1.275 33 F CB -0.548 38.336 39.000 -0.193 0.000 1.008 33 F HN -0.010 nan 8.300 nan 0.000 0.480 34 V N -0.076 119.803 119.914 -0.057 0.000 2.295 34 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 34 V C 2.542 178.536 176.094 -0.167 0.000 1.049 34 V CA 2.407 64.596 62.300 -0.185 0.000 1.024 34 V CB -1.268 30.259 31.823 -0.494 0.000 0.648 34 V HN 0.544 nan 8.190 nan 0.000 0.447 35 T N -1.236 113.159 114.554 -0.266 0.000 2.915 35 T HA -0.056 4.294 4.350 -0.001 0.000 0.269 35 T C 1.849 176.588 174.700 0.065 0.000 1.071 35 T CA 1.258 63.312 62.100 -0.077 0.000 1.132 35 T CB -0.379 68.439 68.868 -0.084 0.000 0.878 35 T HN 0.445 nan 8.240 nan 0.000 0.479 36 A N 1.564 124.381 122.820 -0.004 0.000 2.015 36 A HA 0.433 4.752 4.320 -0.001 0.000 0.219 36 A C 2.719 180.332 177.584 0.048 0.000 1.163 36 A CA 1.416 53.452 52.037 -0.002 0.000 0.646 36 A CB -1.164 17.777 19.000 -0.099 0.000 0.806 36 A HN 0.732 nan 8.150 nan 0.000 0.448 37 A N -0.726 122.151 122.820 0.095 0.000 2.067 37 A HA -0.038 4.282 4.320 -0.001 0.000 0.219 37 A C 1.922 179.586 177.584 0.134 0.000 1.158 37 A CA 1.942 54.050 52.037 0.118 0.000 0.661 37 A CB -0.214 18.880 19.000 0.158 0.000 0.801 37 A HN 0.483 nan 8.150 nan 0.000 0.452 38 E N -0.378 119.936 120.200 0.190 0.000 2.251 38 E HA 0.043 4.393 4.350 -0.001 0.000 0.194 38 E C 0.127 176.800 176.600 0.121 0.000 0.964 38 E CA 0.181 56.682 56.400 0.168 0.000 0.868 38 E CB 0.190 30.058 29.700 0.279 0.000 0.828 38 E HN 0.433 nan 8.360 nan 0.000 0.481 39 N N 0.402 119.174 118.700 0.120 0.000 2.531 39 N HA 0.149 4.888 4.740 -0.001 0.000 0.268 39 N C -2.244 173.296 175.510 0.050 0.000 1.023 39 N CA -1.889 51.211 53.050 0.084 0.000 0.896 39 N CB 1.779 40.330 38.487 0.106 0.000 1.233 39 N HN -0.099 nan 8.380 nan 0.000 0.512 40 P HA -0.102 nan 4.420 nan 0.000 0.223 40 P C 0.405 177.707 177.300 0.004 0.000 1.144 40 P CA 0.906 64.014 63.100 0.013 0.000 0.783 40 P CB 0.546 32.252 31.700 0.011 0.000 0.771 41 N N -0.246 118.460 118.700 0.011 0.000 2.515 41 N HA 0.008 4.747 4.740 -0.001 0.000 0.185 41 N C 0.389 175.901 175.510 0.003 0.000 1.109 41 N CA 0.319 53.372 53.050 0.004 0.000 0.903 41 N CB 0.017 38.507 38.487 0.004 0.000 0.969 41 N HN 0.118 nan 8.380 nan 0.000 0.450 42 V N 1.622 121.539 119.914 0.004 0.000 2.530 42 V HA 0.081 4.200 4.120 -0.001 0.000 0.282 42 V C 0.571 176.633 176.094 -0.054 0.000 1.048 42 V CA -0.615 61.679 62.300 -0.010 0.000 0.997 42 V CB 1.502 33.330 31.823 0.008 0.000 0.987 42 V HN 0.103 nan 8.190 nan 0.000 0.477 43 E N 4.026 124.188 120.200 -0.063 0.000 2.167 43 E HA 0.362 4.712 4.350 -0.001 0.000 0.284 43 E C -0.755 175.746 176.600 -0.165 0.000 1.016 43 E CA -0.528 55.816 56.400 -0.094 0.000 0.817 43 E CB 1.601 31.269 29.700 -0.053 0.000 1.080 43 E HN 0.504 nan 8.360 nan 0.000 0.397 44 V N 5.335 125.082 119.914 -0.279 0.000 2.715 44 V HA 0.093 4.212 4.120 -0.001 0.000 0.299 44 V C 0.025 175.899 176.094 -0.366 0.000 1.054 44 V CA 0.318 62.303 62.300 -0.525 0.000 1.077 44 V CB 1.077 32.349 31.823 -0.917 0.000 0.972 44 V HN 0.619 nan 8.190 nan 0.000 0.484 45 K N 3.487 123.699 120.400 -0.312 0.000 2.545 45 K HA 0.408 4.727 4.320 -0.001 0.000 0.252 45 K C -0.695 175.985 176.600 0.134 0.000 0.948 45 K CA -0.667 55.581 56.287 -0.064 0.000 0.827 45 K CB 1.799 34.290 32.500 -0.015 0.000 1.128 45 K HN 0.642 nan 8.250 nan 0.000 0.429 46 D N 0.500 121.046 120.400 0.243 0.000 2.423 46 D HA 0.034 4.673 4.640 -0.001 0.000 0.255 46 D C 1.191 177.664 176.300 0.288 0.000 1.174 46 D CA -0.322 53.931 54.000 0.421 0.000 1.008 46 D CB 0.710 41.760 40.800 0.416 0.000 1.101 46 D HN 0.392 nan 8.370 nan 0.000 0.516 47 Y N 0.976 121.356 120.300 0.133 0.000 2.069 47 Y HA -0.204 4.346 4.550 -0.001 0.000 0.278 47 Y C 2.041 177.968 175.900 0.044 0.000 1.175 47 Y CA 2.595 60.732 58.100 0.061 0.000 1.134 47 Y CB -0.603 37.873 38.460 0.026 0.000 0.965 47 Y HN 0.467 nan 8.280 nan 0.000 0.498 48 G N -1.081 107.750 108.800 0.051 0.000 2.534 48 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.217 48 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.217 48 G C 1.207 176.079 174.900 -0.047 0.000 1.128 48 G CA 0.854 45.913 45.100 -0.068 0.000 0.784 48 G HN 0.411 nan 8.290 nan 0.000 0.542 49 D N 0.360 120.766 120.400 0.010 0.000 2.277 49 D HA 0.028 4.668 4.640 -0.001 0.000 0.208 49 D C 2.341 178.632 176.300 -0.014 0.000 0.962 49 D CA 0.295 54.299 54.000 0.006 0.000 0.865 49 D CB 0.309 41.129 40.800 0.033 0.000 0.939 49 D HN 0.399 nan 8.370 nan 0.000 0.510 50 I N 0.421 120.975 120.570 -0.028 0.000 2.499 50 I HA -0.075 4.094 4.170 -0.001 0.000 0.243 50 I C 0.331 176.395 176.117 -0.089 0.000 1.085 50 I CA 0.506 61.786 61.300 -0.033 0.000 1.422 50 I CB 0.200 38.198 38.000 -0.002 0.000 1.165 50 I HN -0.291 nan 8.210 nan 0.000 0.440 51 D N 2.328 122.615 120.400 -0.188 0.000 2.558 51 D HA 0.056 4.696 4.640 -0.001 0.000 0.221 51 D C 0.905 177.099 176.300 -0.177 0.000 1.143 51 D CA 0.163 54.034 54.000 -0.215 0.000 1.010 51 D CB 0.357 40.942 40.800 -0.357 0.000 1.068 51 D HN 0.475 nan 8.370 nan 0.000 0.511 52 K N -0.484 119.847 120.400 -0.114 0.000 2.354 52 K HA 0.331 4.650 4.320 -0.001 0.000 0.194 52 K C 0.815 177.370 176.600 -0.075 0.000 1.038 52 K CA -0.354 55.882 56.287 -0.085 0.000 1.052 52 K CB 0.695 33.159 32.500 -0.061 0.000 0.861 52 K HN 0.066 nan 8.250 nan 0.000 0.535 53 A N 2.719 125.491 122.820 -0.081 0.000 2.407 53 A HA 0.257 4.576 4.320 -0.001 0.000 0.248 53 A C -1.733 175.811 177.584 -0.067 0.000 1.082 53 A CA -1.353 50.641 52.037 -0.071 0.000 0.785 53 A CB 0.306 19.260 19.000 -0.077 0.000 1.020 53 A HN -0.006 nan 8.150 nan 0.000 0.489 54 P HA -0.173 nan 4.420 nan 0.000 0.215 54 P C 0.764 178.036 177.300 -0.047 0.000 1.153 54 P CA 1.739 64.813 63.100 -0.043 0.000 0.853 54 P CB 0.142 31.823 31.700 -0.031 0.000 0.788 55 E N -0.256 119.912 120.200 -0.054 0.000 2.153 55 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 55 E C 1.820 178.370 176.600 -0.084 0.000 0.988 55 E CA 1.087 57.451 56.400 -0.060 0.000 0.811 55 E CB -0.815 28.845 29.700 -0.067 0.000 0.746 55 E HN 0.447 nan 8.360 nan 0.000 0.466 56 E N 0.388 120.526 120.200 -0.103 0.000 2.072 56 E HA -0.038 4.311 4.350 -0.001 0.000 0.190 56 E C 2.002 178.550 176.600 -0.088 0.000 0.982 56 E CA 0.439 56.768 56.400 -0.119 0.000 0.803 56 E CB 0.059 29.677 29.700 -0.136 0.000 0.755 56 E HN 0.072 nan 8.360 nan 0.000 0.453 57 R N 0.505 120.960 120.500 -0.074 0.000 2.115 57 R HA -0.000 4.339 4.340 -0.001 0.000 0.230 57 R C 2.100 178.380 176.300 -0.033 0.000 1.111 57 R CA 1.031 57.098 56.100 -0.054 0.000 0.976 57 R CB -0.478 29.794 30.300 -0.046 0.000 0.870 57 R HN 0.136 nan 8.270 nan 0.000 0.445 58 A N 1.072 123.872 122.820 -0.033 0.000 1.897 58 A HA -0.078 4.241 4.320 -0.001 0.000 0.215 58 A C 2.117 179.693 177.584 -0.013 0.000 1.181 58 A CA 0.902 52.928 52.037 -0.019 0.000 0.620 58 A CB -0.188 18.801 19.000 -0.018 0.000 0.821 58 A HN 0.166 nan 8.150 nan 0.000 0.443 59 R N -1.624 118.862 120.500 -0.023 0.000 2.246 59 R HA 0.160 4.500 4.340 -0.001 0.000 0.199 59 R C 1.151 177.454 176.300 0.004 0.000 0.984 59 R CA 0.579 56.673 56.100 -0.010 0.000 1.015 59 R CB -0.035 30.251 30.300 -0.024 0.000 0.930 59 R HN 0.699 nan 8.270 nan 0.000 0.475 60 G N 2.257 111.053 108.800 -0.007 0.000 2.176 60 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.252 60 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.252 60 G C 0.101 175.017 174.900 0.027 0.000 1.024 60 G CA 0.707 45.815 45.100 0.014 0.000 0.755 60 G HN 0.456 nan 8.290 nan 0.000 0.507 61 I N -4.601 115.965 120.570 -0.007 0.000 3.191 61 I HA 0.764 4.934 4.170 -0.001 0.000 0.313 61 I C 0.052 176.131 176.117 -0.062 0.000 1.193 61 I CA -1.335 59.971 61.300 0.009 0.000 0.968 61 I CB 1.527 39.560 38.000 0.055 0.000 1.262 61 I HN -0.070 nan 8.210 nan 0.000 0.456 62 T N 2.294 116.822 114.554 -0.043 0.000 2.897 62 T HA 0.504 4.854 4.350 -0.001 0.000 0.294 62 T C 0.695 175.283 174.700 -0.186 0.000 1.004 62 T CA 0.207 62.254 62.100 -0.089 0.000 1.106 62 T CB 1.231 70.084 68.868 -0.025 0.000 0.949 62 T HN 0.505 nan 8.240 nan 0.000 0.520 63 I N 1.651 122.052 120.570 -0.281 0.000 3.873 63 I HA 0.168 4.338 4.170 -0.001 0.000 0.284 63 I C 0.508 176.454 176.117 -0.284 0.000 1.186 63 I CA -0.130 60.844 61.300 -0.544 0.000 1.362 63 I CB 0.369 37.953 38.000 -0.693 0.000 1.432 63 I HN 0.492 nan 8.210 nan 0.000 0.454 64 N N 0.962 119.565 118.700 -0.162 0.000 2.508 64 N HA 0.280 5.019 4.740 -0.001 0.000 0.285 64 N C -0.339 175.164 175.510 -0.012 0.000 1.144 64 N CA -0.403 52.612 53.050 -0.059 0.000 0.978 64 N CB 0.973 39.439 38.487 -0.034 0.000 1.180 64 N HN 0.068 nan 8.380 nan 0.000 0.484 65 T N -1.189 113.386 114.554 0.035 0.000 2.919 65 T HA 0.525 4.875 4.350 -0.001 0.000 0.302 65 T C -0.050 174.704 174.700 0.091 0.000 1.031 65 T CA -0.917 61.209 62.100 0.043 0.000 1.127 65 T CB 0.859 69.758 68.868 0.052 0.000 0.952 65 T HN 0.493 nan 8.240 nan 0.000 0.540 66 A N 2.329 125.188 122.820 0.066 0.000 2.350 66 A HA 0.636 4.956 4.320 -0.001 0.000 0.324 66 A C -0.939 176.721 177.584 0.126 0.000 1.118 66 A CA -0.947 51.169 52.037 0.132 0.000 0.783 66 A CB 0.667 19.717 19.000 0.083 0.000 1.236 66 A HN 0.976 nan 8.150 nan 0.000 0.457 67 H N 0.327 119.471 119.070 0.123 0.000 2.551 67 H HA 0.513 5.069 4.556 -0.001 0.000 0.321 67 H C 0.008 175.480 175.328 0.239 0.000 1.028 67 H CA -0.273 55.886 56.048 0.185 0.000 1.215 67 H CB 1.501 31.347 29.762 0.140 0.000 1.414 67 H HN 0.641 nan 8.280 nan 0.000 0.480 68 V N 0.603 120.710 119.914 0.321 0.000 2.864 68 V HA 0.594 4.713 4.120 -0.001 0.000 0.314 68 V C -0.147 176.001 176.094 0.090 0.000 1.073 68 V CA -1.044 61.378 62.300 0.204 0.000 0.956 68 V CB 2.380 34.264 31.823 0.101 0.000 1.023 68 V HN 0.793 nan 8.190 nan 0.000 0.435 69 E N 2.041 122.141 120.200 -0.166 0.000 2.212 69 E HA 0.715 5.064 4.350 -0.001 0.000 0.268 69 E C -1.761 174.722 176.600 -0.194 0.000 0.902 69 E CA -0.656 55.477 56.400 -0.445 0.000 0.779 69 E CB 2.132 31.282 29.700 -0.915 0.000 1.172 69 E HN 0.923 nan 8.360 nan 0.000 0.409 70 Y N 0.180 120.380 120.300 -0.166 0.000 2.689 70 Y HA 0.512 5.061 4.550 -0.001 0.000 0.333 70 Y C -1.545 174.343 175.900 -0.020 0.000 1.208 70 Y CA -1.162 56.881 58.100 -0.095 0.000 1.055 70 Y CB 0.829 39.231 38.460 -0.097 0.000 1.304 70 Y HN 0.545 nan 8.280 nan 0.000 0.455 71 E N -0.175 120.213 120.200 0.313 0.000 2.392 71 E HA 0.617 4.967 4.350 -0.001 0.000 0.279 71 E C -1.385 175.425 176.600 0.349 0.000 0.964 71 E CA -0.960 55.625 56.400 0.308 0.000 0.777 71 E CB 2.628 32.420 29.700 0.154 0.000 1.249 71 E HN 0.895 nan 8.360 nan 0.000 0.449 72 T N -1.983 112.801 114.554 0.384 0.000 2.864 72 T HA 0.647 4.996 4.350 -0.001 0.000 0.276 72 T C 1.109 175.959 174.700 0.250 0.000 1.006 72 T CA -0.159 62.164 62.100 0.372 0.000 0.970 72 T CB 1.108 70.237 68.868 0.436 0.000 1.420 72 T HN 0.603 nan 8.240 nan 0.000 0.601 73 A N 0.119 123.064 122.820 0.208 0.000 1.968 73 A HA 0.130 4.450 4.320 -0.001 0.000 0.217 73 A C 2.217 179.867 177.584 0.111 0.000 1.169 73 A CA 1.130 53.243 52.037 0.127 0.000 0.638 73 A CB -0.767 18.282 19.000 0.082 0.000 0.812 73 A HN 0.730 nan 8.150 nan 0.000 0.446 74 K N -0.609 119.871 120.400 0.134 0.000 2.067 74 K HA 0.146 4.465 4.320 -0.001 0.000 0.203 74 K C 0.767 177.404 176.600 0.061 0.000 1.048 74 K CA 0.877 57.223 56.287 0.099 0.000 0.954 74 K CB 0.124 32.693 32.500 0.115 0.000 0.737 74 K HN 0.436 nan 8.250 nan 0.000 0.444 75 R N -0.931 119.595 120.500 0.045 0.000 2.855 75 R HA 0.273 4.613 4.340 -0.001 0.000 0.266 75 R C -0.994 175.196 176.300 -0.183 0.000 1.034 75 R CA -0.878 55.141 56.100 -0.135 0.000 0.944 75 R CB 1.255 31.320 30.300 -0.391 0.000 1.219 75 R HN 0.128 nan 8.270 nan 0.000 0.474 76 H N 1.229 120.128 119.070 -0.286 0.000 2.467 76 H HA 0.322 4.878 4.556 -0.001 0.000 0.326 76 H C -1.319 173.793 175.328 -0.360 0.000 1.094 76 H CA -0.206 55.769 56.048 -0.122 0.000 1.253 76 H CB 0.752 30.594 29.762 0.134 0.000 1.439 76 H HN 0.452 nan 8.280 nan 0.000 0.479 77 Y N 1.727 121.712 120.300 -0.525 0.000 2.446 77 Y HA 0.268 4.818 4.550 -0.001 0.000 0.345 77 Y C 0.172 175.793 175.900 -0.465 0.000 0.984 77 Y CA -0.657 57.154 58.100 -0.483 0.000 1.058 77 Y CB 2.230 40.299 38.460 -0.652 0.000 1.220 77 Y HN 0.475 nan 8.280 nan 0.000 0.455 78 S N 1.556 117.309 115.700 0.089 0.000 2.454 78 S HA 0.316 4.786 4.470 -0.001 0.000 0.306 78 S C -1.479 173.209 174.600 0.147 0.000 1.100 78 S CA -0.633 57.750 58.200 0.305 0.000 1.087 78 S CB 0.337 63.887 63.200 0.583 0.000 1.019 78 S HN 0.707 nan 8.310 nan 0.000 0.480 79 H N 1.843 120.918 119.070 0.008 0.000 2.547 79 H HA 0.643 5.199 4.556 -0.001 0.000 0.342 79 H C -1.340 173.971 175.328 -0.029 0.000 1.048 79 H CA -0.711 55.333 56.048 -0.007 0.000 1.204 79 H CB 0.816 30.607 29.762 0.048 0.000 1.493 79 H HN 0.366 nan 8.280 nan 0.000 0.511 80 V N 4.912 124.748 119.914 -0.131 0.000 2.347 80 V HA 0.121 4.240 4.120 -0.001 0.000 0.280 80 V C -0.232 175.817 176.094 -0.075 0.000 1.021 80 V CA -0.699 61.483 62.300 -0.196 0.000 0.847 80 V CB 1.142 32.768 31.823 -0.329 0.000 0.990 80 V HN 0.816 nan 8.190 nan 0.000 0.444 81 D N 3.842 124.287 120.400 0.075 0.000 2.274 81 D HA 0.444 5.083 4.640 -0.001 0.000 0.239 81 D C -0.427 175.895 176.300 0.036 0.000 1.104 81 D CA 0.016 54.087 54.000 0.118 0.000 0.840 81 D CB 1.043 41.947 40.800 0.175 0.000 1.100 81 D HN 0.576 nan 8.370 nan 0.000 0.477 82 C N 5.367 124.684 119.300 0.028 0.000 2.399 82 C HA 0.668 5.128 4.460 -0.001 0.000 0.348 82 C C -2.058 172.968 174.990 0.061 0.000 1.183 82 C CA -1.406 57.622 59.018 0.017 0.000 2.023 82 C CB 1.558 29.279 27.740 -0.031 0.000 2.361 82 C HN 0.589 nan 8.230 nan 0.000 0.521 83 P HA 0.230 nan 4.420 nan 0.000 0.278 83 P C 0.096 177.512 177.300 0.193 0.000 1.238 83 P CA 0.350 63.514 63.100 0.107 0.000 0.794 83 P CB 0.936 32.700 31.700 0.107 0.000 0.955 84 G N 0.560 109.450 108.800 0.151 0.000 2.833 84 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.210 84 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.210 84 G C 0.649 175.532 174.900 -0.029 0.000 1.139 84 G CA 0.256 45.395 45.100 0.066 0.000 0.771 84 G HN 0.616 nan 8.290 nan 0.000 0.535 85 H N 1.237 120.314 119.070 0.012 0.000 2.928 85 H HA 0.263 4.819 4.556 -0.001 0.000 0.338 85 H C 1.617 176.948 175.328 0.006 0.000 1.047 85 H CA 0.388 56.439 56.048 0.005 0.000 1.435 85 H CB 1.579 31.433 29.762 0.155 0.000 1.428 85 H HN 0.066 nan 8.280 nan 0.000 0.590 86 A N 4.305 127.043 122.820 -0.136 0.000 2.019 86 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 86 A C 1.909 179.526 177.584 0.054 0.000 1.164 86 A CA 1.560 53.581 52.037 -0.027 0.000 0.644 86 A CB -0.094 18.834 19.000 -0.119 0.000 0.805 86 A HN 0.740 nan 8.150 nan 0.000 0.449 87 D N -1.731 118.786 120.400 0.195 0.000 2.264 87 D HA -0.079 4.561 4.640 -0.001 0.000 0.208 87 D C 0.198 176.118 176.300 -0.632 0.000 0.966 87 D CA 1.070 54.878 54.000 -0.320 0.000 0.864 87 D CB -0.166 40.206 40.800 -0.713 0.000 0.933 87 D HN 0.647 nan 8.370 nan 0.000 0.499 88 Y N -0.245 120.116 120.300 0.103 0.000 2.720 88 Y HA 0.238 4.788 4.550 -0.001 0.000 0.268 88 Y C 1.662 177.581 175.900 0.032 0.000 1.142 88 Y CA -0.647 57.482 58.100 0.049 0.000 1.193 88 Y CB 0.164 38.645 38.460 0.035 0.000 1.176 88 Y HN -0.135 nan 8.280 nan 0.000 0.542 89 I N 0.699 121.313 120.570 0.074 0.000 2.248 89 I HA -0.371 3.799 4.170 -0.001 0.000 0.248 89 I C 2.418 178.500 176.117 -0.059 0.000 1.107 89 I CA 1.644 62.947 61.300 0.005 0.000 1.373 89 I CB -0.460 37.509 38.000 -0.051 0.000 1.055 89 I HN 0.335 nan 8.210 nan 0.000 0.418 90 K N 1.126 121.516 120.400 -0.016 0.000 2.074 90 K HA -0.222 4.098 4.320 -0.001 0.000 0.209 90 K C 1.696 178.337 176.600 0.068 0.000 1.048 90 K CA 1.848 58.156 56.287 0.034 0.000 0.926 90 K CB 0.022 32.607 32.500 0.142 0.000 0.713 90 K HN 0.311 nan 8.250 nan 0.000 0.444 91 N N 0.481 119.240 118.700 0.098 0.000 2.354 91 N HA -0.139 4.601 4.740 -0.001 0.000 0.179 91 N C 1.611 177.135 175.510 0.024 0.000 1.021 91 N CA 0.930 54.029 53.050 0.082 0.000 0.887 91 N CB -0.205 38.341 38.487 0.099 0.000 0.974 91 N HN 0.318 nan 8.380 nan 0.000 0.437 92 M N 0.991 120.580 119.600 -0.020 0.000 2.099 92 M HA -0.044 4.435 4.480 -0.001 0.000 0.262 92 M C 1.724 177.942 176.300 -0.136 0.000 1.067 92 M CA 1.204 56.431 55.300 -0.123 0.000 1.124 92 M CB -0.391 32.043 32.600 -0.278 0.000 1.353 92 M HN 0.000 nan 8.290 nan 0.000 0.410 93 I N -0.087 120.407 120.570 -0.127 0.000 2.208 93 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 93 I C 2.181 178.292 176.117 -0.010 0.000 1.097 93 I CA 1.732 62.974 61.300 -0.097 0.000 1.363 93 I CB -0.924 36.992 38.000 -0.139 0.000 1.051 93 I HN 0.307 nan 8.210 nan 0.000 0.413 94 T N 0.425 114.998 114.554 0.031 0.000 2.788 94 T HA -0.102 4.247 4.350 -0.001 0.000 0.268 94 T C 1.830 176.558 174.700 0.047 0.000 1.044 94 T CA 1.463 63.602 62.100 0.065 0.000 1.139 94 T CB -0.501 68.421 68.868 0.089 0.000 0.867 94 T HN 0.606 nan 8.240 nan 0.000 0.454 95 G N 0.853 109.660 108.800 0.012 0.000 2.394 95 G HA2 0.035 3.995 3.960 -0.001 0.000 0.215 95 G HA3 0.035 3.995 3.960 -0.001 0.000 0.215 95 G C 1.827 176.708 174.900 -0.031 0.000 1.165 95 G CA 0.737 45.828 45.100 -0.016 0.000 0.784 95 G HN 0.546 nan 8.290 nan 0.000 0.535 96 A N 1.197 123.989 122.820 -0.047 0.000 1.972 96 A HA 0.275 4.594 4.320 -0.001 0.000 0.219 96 A C 2.669 180.256 177.584 0.005 0.000 1.169 96 A CA 1.995 54.008 52.037 -0.039 0.000 0.635 96 A CB -0.612 18.350 19.000 -0.063 0.000 0.810 96 A HN 0.807 nan 8.150 nan 0.000 0.446 97 A N -0.995 121.840 122.820 0.024 0.000 2.225 97 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 97 A C 1.800 179.416 177.584 0.053 0.000 1.164 97 A CA 1.350 53.416 52.037 0.049 0.000 0.710 97 A CB -0.351 18.689 19.000 0.067 0.000 0.780 97 A HN 0.687 nan 8.150 nan 0.000 0.473 98 Q N -1.178 118.651 119.800 0.048 0.000 2.247 98 Q HA 0.336 4.676 4.340 -0.001 0.000 0.211 98 Q C -0.223 175.808 176.000 0.053 0.000 0.861 98 Q CA -0.190 55.651 55.803 0.065 0.000 0.949 98 Q CB 0.406 29.200 28.738 0.092 0.000 1.115 98 Q HN 0.621 nan 8.270 nan 0.000 0.507 99 M N 0.812 120.433 119.600 0.034 0.000 2.188 99 M HA 0.122 4.601 4.480 -0.001 0.000 0.357 99 M C 0.021 176.358 176.300 0.062 0.000 1.204 99 M CA -0.121 55.198 55.300 0.031 0.000 1.095 99 M CB 1.097 33.699 32.600 0.003 0.000 1.604 99 M HN -0.034 nan 8.290 nan 0.000 0.464 100 D N 1.659 122.101 120.400 0.071 0.000 2.346 100 D HA 0.193 4.832 4.640 -0.001 0.000 0.206 100 D C 0.631 177.024 176.300 0.154 0.000 1.001 100 D CA 0.582 54.644 54.000 0.103 0.000 0.871 100 D CB 0.709 41.557 40.800 0.081 0.000 0.943 100 D HN 0.800 nan 8.370 nan 0.000 0.518 101 G N -0.491 108.383 108.800 0.124 0.000 2.673 101 G HA2 0.580 4.540 3.960 -0.001 0.000 0.292 101 G HA3 0.580 4.540 3.960 -0.001 0.000 0.292 101 G C -1.796 173.149 174.900 0.075 0.000 1.450 101 G CA -0.252 44.941 45.100 0.156 0.000 0.837 101 G HN 0.131 nan 8.290 nan 0.000 0.505 102 A N 0.282 123.140 122.820 0.064 0.000 2.401 102 A HA 0.841 5.160 4.320 -0.001 0.000 0.310 102 A C -0.793 176.797 177.584 0.010 0.000 1.075 102 A CA -0.658 51.377 52.037 -0.003 0.000 0.746 102 A CB 1.253 20.233 19.000 -0.034 0.000 1.277 102 A HN 0.720 nan 8.150 nan 0.000 0.425 103 I N 2.187 122.753 120.570 -0.006 0.000 2.328 103 I HA 0.222 4.392 4.170 -0.001 0.000 0.287 103 I C -0.622 175.525 176.117 0.051 0.000 1.012 103 I CA -0.518 60.804 61.300 0.037 0.000 1.195 103 I CB 1.369 39.396 38.000 0.045 0.000 1.350 103 I HN 0.559 nan 8.210 nan 0.000 0.464 104 L N 8.999 130.255 121.223 0.056 0.000 2.278 104 L HA 0.383 4.722 4.340 -0.001 0.000 0.287 104 L C -0.387 176.559 176.870 0.128 0.000 1.072 104 L CA 0.031 54.912 54.840 0.068 0.000 0.819 104 L CB 0.955 43.026 42.059 0.020 0.000 1.176 104 L HN 0.275 nan 8.230 nan 0.000 0.435 105 V N 6.217 126.227 119.914 0.159 0.000 2.439 105 V HA 0.515 4.634 4.120 -0.001 0.000 0.282 105 V C -0.199 176.032 176.094 0.227 0.000 1.039 105 V CA -0.506 61.927 62.300 0.221 0.000 0.913 105 V CB 1.584 33.544 31.823 0.230 0.000 0.983 105 V HN 0.548 nan 8.190 nan 0.000 0.460 106 V N 3.437 123.463 119.914 0.186 0.000 2.638 106 V HA 0.409 4.528 4.120 -0.001 0.000 0.306 106 V C 0.098 176.171 176.094 -0.037 0.000 1.052 106 V CA -0.567 61.833 62.300 0.167 0.000 0.885 106 V CB 2.122 33.993 31.823 0.079 0.000 0.999 106 V HN 0.844 nan 8.190 nan 0.000 0.424 107 S N 3.070 118.544 115.700 -0.376 0.000 2.481 107 S HA 0.439 4.909 4.470 -0.001 0.000 0.276 107 S C 1.321 175.757 174.600 -0.273 0.000 1.247 107 S CA 0.146 58.086 58.200 -0.433 0.000 1.053 107 S CB 1.243 63.973 63.200 -0.784 0.000 0.925 107 S HN 1.075 nan 8.310 nan 0.000 0.491 108 A N 5.046 127.762 122.820 -0.173 0.000 2.015 108 A HA 0.157 4.477 4.320 -0.001 0.000 0.219 108 A C 2.231 179.746 177.584 -0.114 0.000 1.163 108 A CA 1.501 53.463 52.037 -0.126 0.000 0.646 108 A CB -0.945 17.992 19.000 -0.105 0.000 0.806 108 A HN 1.153 nan 8.150 nan 0.000 0.448 109 A N -0.433 122.310 122.820 -0.128 0.000 2.067 109 A HA 0.008 4.327 4.320 -0.001 0.000 0.217 109 A C 1.472 178.995 177.584 -0.101 0.000 1.156 109 A CA 1.699 53.676 52.037 -0.100 0.000 0.683 109 A CB -0.242 18.705 19.000 -0.089 0.000 0.808 109 A HN 0.517 nan 8.150 nan 0.000 0.455 110 D N -2.374 117.935 120.400 -0.152 0.000 2.455 110 D HA 0.399 5.039 4.640 -0.001 0.000 0.228 110 D C 1.093 177.335 176.300 -0.095 0.000 1.070 110 D CA 0.987 54.916 54.000 -0.117 0.000 0.881 110 D CB 0.406 41.132 40.800 -0.123 0.000 1.087 110 D HN 0.625 nan 8.370 nan 0.000 0.498 111 G N 0.965 109.691 108.800 -0.122 0.000 2.782 111 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.228 111 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.228 111 G C -2.657 172.242 174.900 -0.001 0.000 1.372 111 G CA -1.191 43.872 45.100 -0.062 0.000 0.862 111 G HN -0.029 nan 8.290 nan 0.000 0.547 112 P HA 0.353 nan 4.420 nan 0.000 0.267 112 P C 0.165 177.439 177.300 -0.043 0.000 1.209 112 P CA 0.338 63.454 63.100 0.026 0.000 0.763 112 P CB 0.531 32.241 31.700 0.016 0.000 0.816 113 M N 5.315 124.829 119.600 -0.142 0.000 2.821 113 M HA 0.338 4.817 4.480 -0.001 0.000 0.304 113 M C -1.607 174.528 176.300 -0.274 0.000 1.233 113 M CA -2.675 52.391 55.300 -0.390 0.000 0.851 113 M CB 0.666 32.601 32.600 -1.108 0.000 1.723 113 M HN 0.025 nan 8.290 nan 0.000 0.493 114 P HA -0.189 nan 4.420 nan 0.000 0.218 114 P C 0.753 178.062 177.300 0.015 0.000 1.154 114 P CA 1.702 64.787 63.100 -0.026 0.000 0.872 114 P CB 0.235 31.949 31.700 0.024 0.000 0.790 115 Q N -2.148 117.734 119.800 0.136 0.000 2.444 115 Q HA 0.022 4.362 4.340 -0.001 0.000 0.206 115 Q C 1.798 177.648 176.000 -0.250 0.000 0.948 115 Q CA 0.987 56.710 55.803 -0.135 0.000 0.946 115 Q CB -1.075 27.420 28.738 -0.405 0.000 1.027 115 Q HN 0.229 nan 8.270 nan 0.000 0.513 116 T N -0.390 114.103 114.554 -0.102 0.000 2.770 116 T HA -0.122 4.228 4.350 -0.001 0.000 0.263 116 T C 1.665 176.348 174.700 -0.027 0.000 1.039 116 T CA 1.160 63.220 62.100 -0.068 0.000 1.142 116 T CB -0.018 68.841 68.868 -0.015 0.000 0.868 116 T HN 0.297 nan 8.240 nan 0.000 0.435 117 R N 1.072 121.560 120.500 -0.019 0.000 2.066 117 R HA -0.050 4.290 4.340 -0.001 0.000 0.232 117 R C 2.377 178.616 176.300 -0.103 0.000 1.131 117 R CA 1.638 57.727 56.100 -0.018 0.000 0.955 117 R CB -0.206 30.120 30.300 0.043 0.000 0.851 117 R HN 0.456 nan 8.270 nan 0.000 0.432 118 E N -0.411 119.759 120.200 -0.048 0.000 2.110 118 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 118 E C 1.787 178.415 176.600 0.046 0.000 0.988 118 E CA 1.316 57.700 56.400 -0.026 0.000 0.804 118 E CB -0.072 29.642 29.700 0.023 0.000 0.745 118 E HN 0.589 nan 8.360 nan 0.000 0.458 119 H N -0.288 118.726 119.070 -0.093 0.000 2.389 119 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 119 H C 2.296 177.566 175.328 -0.096 0.000 1.081 119 H CA 1.053 57.052 56.048 -0.083 0.000 1.345 119 H CB 0.131 29.859 29.762 -0.056 0.000 1.393 119 H HN 0.227 nan 8.280 nan 0.000 0.520 120 I N 0.809 121.384 120.570 0.009 0.000 2.179 120 I HA -0.277 3.892 4.170 -0.001 0.000 0.242 120 I C 2.683 178.769 176.117 -0.052 0.000 1.088 120 I CA 0.699 61.971 61.300 -0.047 0.000 1.357 120 I CB -0.139 37.837 38.000 -0.041 0.000 1.051 120 I HN 0.299 nan 8.210 nan 0.000 0.409 121 L N 0.949 121.996 121.223 -0.293 0.000 2.012 121 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 121 L C 2.450 179.263 176.870 -0.096 0.000 1.073 121 L CA 2.118 56.755 54.840 -0.338 0.000 0.748 121 L CB -0.474 41.265 42.059 -0.532 0.000 0.891 121 L HN 0.272 nan 8.230 nan 0.000 0.431 122 L N -0.064 121.109 121.223 -0.083 0.000 2.093 122 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 122 L C 2.925 179.779 176.870 -0.026 0.000 1.085 122 L CA 1.002 55.801 54.840 -0.067 0.000 0.755 122 L CB -0.804 41.185 42.059 -0.117 0.000 0.904 122 L HN 0.309 nan 8.230 nan 0.000 0.435 123 A N 0.224 123.041 122.820 -0.006 0.000 1.908 123 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 123 A C 2.466 180.128 177.584 0.129 0.000 1.181 123 A CA 1.940 54.000 52.037 0.038 0.000 0.627 123 A CB -0.621 18.393 19.000 0.024 0.000 0.818 123 A HN 0.347 nan 8.150 nan 0.000 0.445 124 R N -0.973 119.652 120.500 0.208 0.000 2.070 124 R HA -0.171 4.168 4.340 -0.001 0.000 0.233 124 R C 2.122 178.455 176.300 0.055 0.000 1.137 124 R CA 1.690 57.892 56.100 0.170 0.000 0.945 124 R CB -0.285 30.080 30.300 0.110 0.000 0.845 124 R HN 0.466 nan 8.270 nan 0.000 0.430 125 Q N 0.084 119.904 119.800 0.033 0.000 2.291 125 Q HA -0.084 4.255 4.340 -0.001 0.000 0.206 125 Q C 1.752 177.781 176.000 0.050 0.000 0.976 125 Q CA 1.350 57.164 55.803 0.018 0.000 0.875 125 Q CB 0.059 28.797 28.738 -0.000 0.000 0.927 125 Q HN 0.455 nan 8.270 nan 0.000 0.450 126 V N -4.332 115.614 119.914 0.054 0.000 3.444 126 V HA 0.546 4.665 4.120 -0.001 0.000 0.308 126 V C 1.049 177.183 176.094 0.067 0.000 1.371 126 V CA 0.428 62.770 62.300 0.070 0.000 1.141 126 V CB -0.078 31.779 31.823 0.057 0.000 1.037 126 V HN 0.259 nan 8.190 nan 0.000 0.433 127 G N 0.136 108.972 108.800 0.060 0.000 2.141 127 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.231 127 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.231 127 G C 0.002 174.944 174.900 0.070 0.000 0.984 127 G CA -0.098 45.034 45.100 0.053 0.000 0.660 127 G HN 0.775 nan 8.290 nan 0.000 0.525 128 V N 1.129 121.107 119.914 0.107 0.000 2.439 128 V HA 0.277 4.397 4.120 -0.001 0.000 0.271 128 V C -0.184 176.028 176.094 0.196 0.000 1.040 128 V CA -0.267 62.118 62.300 0.142 0.000 1.002 128 V CB 1.232 33.137 31.823 0.136 0.000 1.000 128 V HN 0.193 nan 8.190 nan 0.000 0.477 129 P HA 0.107 nan 4.420 nan 0.000 0.222 129 P C -0.412 176.730 177.300 -0.263 0.000 1.157 129 P CA 0.717 63.756 63.100 -0.102 0.000 0.816 129 P CB 0.280 31.880 31.700 -0.167 0.000 0.813 130 Y N -1.149 119.294 120.300 0.238 0.000 2.536 130 Y HA 0.584 5.133 4.550 -0.001 0.000 0.347 130 Y C 0.158 176.140 175.900 0.137 0.000 1.000 130 Y CA -1.061 57.164 58.100 0.208 0.000 1.051 130 Y CB 2.014 40.501 38.460 0.046 0.000 1.259 130 Y HN -0.349 nan 8.280 nan 0.000 0.468 131 I N 3.017 123.773 120.570 0.309 0.000 2.607 131 I HA 0.501 4.671 4.170 -0.001 0.000 0.290 131 I C -1.330 174.897 176.117 0.183 0.000 1.129 131 I CA -1.176 60.176 61.300 0.087 0.000 1.042 131 I CB 2.152 39.972 38.000 -0.299 0.000 1.242 131 I HN 0.388 nan 8.210 nan 0.000 0.421 132 V N 4.263 124.249 119.914 0.119 0.000 2.604 132 V HA 0.660 4.779 4.120 -0.001 0.000 0.305 132 V C -0.570 175.556 176.094 0.054 0.000 1.043 132 V CA -0.626 61.716 62.300 0.070 0.000 0.888 132 V CB 1.723 33.607 31.823 0.102 0.000 0.995 132 V HN 0.382 nan 8.190 nan 0.000 0.429 133 V N 5.257 125.190 119.914 0.033 0.000 2.394 133 V HA 0.470 4.590 4.120 -0.001 0.000 0.282 133 V C -0.509 175.653 176.094 0.113 0.000 1.031 133 V CA -0.217 62.118 62.300 0.058 0.000 0.881 133 V CB 1.311 33.140 31.823 0.010 0.000 0.982 133 V HN 0.850 nan 8.190 nan 0.000 0.451 134 F N 6.057 126.010 119.950 0.006 0.000 2.375 134 F HA 0.566 5.093 4.527 -0.001 0.000 0.361 134 F C 0.063 175.871 175.800 0.013 0.000 1.117 134 F CA -0.793 57.212 58.000 0.009 0.000 1.037 134 F CB 1.408 40.415 39.000 0.013 0.000 1.192 134 F HN 0.496 nan 8.300 nan 0.000 0.452 135 M N 6.658 125.973 119.600 -0.474 0.000 2.108 135 M HA 0.241 4.721 4.480 -0.001 0.000 0.347 135 M C -0.917 175.074 176.300 -0.516 0.000 1.326 135 M CA -0.086 55.016 55.300 -0.331 0.000 1.126 135 M CB 0.009 32.460 32.600 -0.247 0.000 1.606 135 M HN 0.705 nan 8.290 nan 0.000 0.462 136 N N 3.337 121.917 118.700 -0.200 0.000 2.476 136 N HA 0.358 5.098 4.740 -0.001 0.000 0.276 136 N C -0.782 174.686 175.510 -0.069 0.000 1.204 136 N CA 0.031 53.055 53.050 -0.044 0.000 0.974 136 N CB 0.859 39.497 38.487 0.251 0.000 1.204 136 N HN 0.659 nan 8.380 nan 0.000 0.543 137 K N -0.845 119.534 120.400 -0.036 0.000 3.129 137 K HA -0.144 4.175 4.320 -0.001 0.000 0.273 137 K C 0.802 177.356 176.600 -0.077 0.000 1.123 137 K CA 0.726 56.967 56.287 -0.077 0.000 0.800 137 K CB -2.367 30.082 32.500 -0.085 0.000 1.238 137 K HN 0.434 nan 8.250 nan 0.000 0.492 138 V N -1.327 118.555 119.914 -0.052 0.000 2.970 138 V HA -0.175 3.945 4.120 -0.001 0.000 0.260 138 V C 1.963 178.078 176.094 0.034 0.000 1.100 138 V CA 1.795 64.091 62.300 -0.007 0.000 1.122 138 V CB -0.258 31.582 31.823 0.029 0.000 0.721 138 V HN 0.399 nan 8.190 nan 0.000 0.483 139 D N -0.217 120.170 120.400 -0.023 0.000 2.384 139 D HA -0.164 4.476 4.640 -0.001 0.000 0.222 139 D C 1.671 177.950 176.300 -0.034 0.000 0.976 139 D CA 0.899 54.875 54.000 -0.041 0.000 0.915 139 D CB -0.047 40.578 40.800 -0.292 0.000 0.896 139 D HN 0.467 nan 8.370 nan 0.000 0.523 140 M N 0.491 120.066 119.600 -0.043 0.000 2.313 140 M HA 0.163 4.642 4.480 -0.001 0.000 0.273 140 M C -0.115 176.170 176.300 -0.026 0.000 1.049 140 M CA 0.029 55.304 55.300 -0.041 0.000 1.004 140 M CB 1.731 34.297 32.600 -0.058 0.000 1.461 140 M HN -0.195 nan 8.290 nan 0.000 0.514 141 V N 2.580 122.485 119.914 -0.016 0.000 2.349 141 V HA 0.169 4.288 4.120 -0.001 0.000 0.284 141 V C 0.451 176.545 176.094 0.001 0.000 1.014 141 V CA -0.595 61.696 62.300 -0.015 0.000 0.826 141 V CB 1.453 33.260 31.823 -0.027 0.000 1.009 141 V HN 0.305 nan 8.190 nan 0.000 0.431 142 D N 1.815 122.216 120.400 0.001 0.000 2.305 142 D HA -0.032 4.608 4.640 -0.001 0.000 0.206 142 D C 0.543 176.842 176.300 -0.002 0.000 0.974 142 D CA -0.010 53.993 54.000 0.006 0.000 0.871 142 D CB 0.487 41.291 40.800 0.006 0.000 0.947 142 D HN 0.528 nan 8.370 nan 0.000 0.516 143 D N 1.780 122.175 120.400 -0.008 0.000 2.344 143 D HA 0.088 4.728 4.640 -0.001 0.000 0.253 143 D C -1.624 174.667 176.300 -0.014 0.000 1.255 143 D CA -2.202 51.791 54.000 -0.011 0.000 0.894 143 D CB 1.742 42.534 40.800 -0.013 0.000 1.067 143 D HN -0.154 nan 8.370 nan 0.000 0.492 144 P HA -0.137 nan 4.420 nan 0.000 0.218 144 P C 1.028 178.317 177.300 -0.019 0.000 1.148 144 P CA 0.913 64.003 63.100 -0.017 0.000 0.822 144 P CB 0.324 32.014 31.700 -0.016 0.000 0.784 145 E N -0.964 119.226 120.200 -0.017 0.000 2.077 145 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 145 E C 1.791 178.379 176.600 -0.020 0.000 0.989 145 E CA 0.906 57.296 56.400 -0.017 0.000 0.800 145 E CB -0.484 29.208 29.700 -0.015 0.000 0.746 145 E HN 0.105 nan 8.360 nan 0.000 0.452 146 L N 0.679 121.890 121.223 -0.021 0.000 2.017 146 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 146 L C 2.280 179.131 176.870 -0.031 0.000 1.073 146 L CA 1.466 56.291 54.840 -0.026 0.000 0.745 146 L CB -0.748 41.295 42.059 -0.027 0.000 0.894 146 L HN 0.182 nan 8.230 nan 0.000 0.432 147 L N -0.927 120.276 121.223 -0.033 0.000 2.012 147 L HA -0.270 4.069 4.340 -0.001 0.000 0.210 147 L C 2.208 179.055 176.870 -0.039 0.000 1.073 147 L CA 1.367 56.182 54.840 -0.041 0.000 0.748 147 L CB -0.775 41.260 42.059 -0.041 0.000 0.891 147 L HN 0.267 nan 8.230 nan 0.000 0.431 148 D N -0.271 120.110 120.400 -0.031 0.000 2.144 148 D HA -0.155 4.484 4.640 -0.001 0.000 0.199 148 D C 2.145 178.431 176.300 -0.024 0.000 0.984 148 D CA 0.788 54.772 54.000 -0.027 0.000 0.834 148 D CB -0.038 40.749 40.800 -0.022 0.000 0.955 148 D HN 0.063 nan 8.370 nan 0.000 0.465 149 L N 0.602 121.811 121.223 -0.023 0.000 2.027 149 L HA -0.100 4.240 4.340 -0.001 0.000 0.206 149 L C 2.332 179.189 176.870 -0.021 0.000 1.074 149 L CA 1.102 55.930 54.840 -0.020 0.000 0.745 149 L CB -0.898 41.149 42.059 -0.020 0.000 0.898 149 L HN -0.056 nan 8.230 nan 0.000 0.433 150 V N -0.019 119.878 119.914 -0.029 0.000 2.343 150 V HA -0.303 3.817 4.120 -0.001 0.000 0.247 150 V C 2.583 178.661 176.094 -0.025 0.000 1.051 150 V CA 1.852 64.134 62.300 -0.031 0.000 1.036 150 V CB -0.557 31.238 31.823 -0.047 0.000 0.654 150 V HN 0.527 nan 8.190 nan 0.000 0.451 151 E N -0.063 120.118 120.200 -0.031 0.000 2.058 151 E HA -0.305 4.044 4.350 -0.001 0.000 0.194 151 E C 2.271 178.862 176.600 -0.014 0.000 0.997 151 E CA 2.080 58.463 56.400 -0.028 0.000 0.801 151 E CB -0.238 29.441 29.700 -0.034 0.000 0.746 151 E HN 0.574 nan 8.360 nan 0.000 0.450 152 M N 0.406 119.998 119.600 -0.013 0.000 2.080 152 M HA -0.224 4.255 4.480 -0.001 0.000 0.260 152 M C 1.928 178.229 176.300 0.001 0.000 1.068 152 M CA 1.916 57.213 55.300 -0.005 0.000 1.109 152 M CB -0.030 32.566 32.600 -0.007 0.000 1.342 152 M HN 0.101 nan 8.290 nan 0.000 0.405 153 E N -0.632 119.568 120.200 -0.000 0.000 2.085 153 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 153 E C 1.883 178.495 176.600 0.019 0.000 0.994 153 E CA 1.830 58.234 56.400 0.007 0.000 0.801 153 E CB -0.128 29.572 29.700 0.001 0.000 0.743 153 E HN 0.418 nan 8.360 nan 0.000 0.453 154 V N 0.964 120.887 119.914 0.015 0.000 2.343 154 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 154 V C 2.177 178.294 176.094 0.037 0.000 1.051 154 V CA 1.797 64.113 62.300 0.027 0.000 1.036 154 V CB -0.472 31.359 31.823 0.014 0.000 0.654 154 V HN 0.207 nan 8.190 nan 0.000 0.451 155 R N 0.049 120.565 120.500 0.027 0.000 2.096 155 R HA -0.190 4.149 4.340 -0.001 0.000 0.235 155 R C 2.119 178.447 176.300 0.047 0.000 1.127 155 R CA 1.833 57.955 56.100 0.036 0.000 0.968 155 R CB -0.468 29.846 30.300 0.022 0.000 0.861 155 R HN 0.605 nan 8.270 nan 0.000 0.440 156 D N 0.819 121.239 120.400 0.035 0.000 2.097 156 D HA -0.136 4.504 4.640 -0.001 0.000 0.195 156 D C 1.897 178.225 176.300 0.046 0.000 0.989 156 D CA 0.901 54.918 54.000 0.029 0.000 0.827 156 D CB 0.026 40.836 40.800 0.018 0.000 0.966 156 D HN 0.066 nan 8.370 nan 0.000 0.456 157 L N -0.042 121.225 121.223 0.073 0.000 2.012 157 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 157 L C 2.508 179.502 176.870 0.207 0.000 1.073 157 L CA 0.899 55.820 54.840 0.134 0.000 0.748 157 L CB -0.301 41.840 42.059 0.137 0.000 0.891 157 L HN 0.253 nan 8.230 nan 0.000 0.431 158 L N -0.601 120.727 121.223 0.175 0.000 2.046 158 L HA -0.253 4.087 4.340 -0.001 0.000 0.208 158 L C 2.320 179.336 176.870 0.243 0.000 1.077 158 L CA 1.090 56.077 54.840 0.244 0.000 0.747 158 L CB -0.661 41.496 42.059 0.164 0.000 0.896 158 L HN 0.358 nan 8.230 nan 0.000 0.432 159 N N -0.042 118.733 118.700 0.125 0.000 2.149 159 N HA -0.211 4.528 4.740 -0.001 0.000 0.188 159 N C 1.834 177.326 175.510 -0.029 0.000 1.019 159 N CA 1.146 54.230 53.050 0.058 0.000 0.857 159 N CB -0.194 38.307 38.487 0.023 0.000 0.997 159 N HN 0.452 nan 8.380 nan 0.000 0.426 160 Q N -0.884 118.859 119.800 -0.095 0.000 2.226 160 Q HA -0.116 4.224 4.340 -0.001 0.000 0.204 160 Q C 0.356 175.968 176.000 -0.648 0.000 0.975 160 Q CA 1.048 56.629 55.803 -0.370 0.000 0.866 160 Q CB -0.011 28.447 28.738 -0.466 0.000 0.915 160 Q HN 0.519 nan 8.270 nan 0.000 0.440 161 Y N -0.017 120.318 120.300 0.058 0.000 2.720 161 Y HA 0.161 4.710 4.550 -0.001 0.000 0.277 161 Y C -0.323 175.535 175.900 -0.070 0.000 1.144 161 Y CA -0.241 57.881 58.100 0.037 0.000 1.221 161 Y CB 0.228 38.782 38.460 0.157 0.000 1.163 161 Y HN 0.065 nan 8.280 nan 0.000 0.537 162 E N -1.343 118.831 120.200 -0.044 0.000 2.694 162 E HA -0.246 4.104 4.350 -0.001 0.000 0.272 162 E C -0.785 175.670 176.600 -0.242 0.000 1.040 162 E CA 0.287 56.598 56.400 -0.148 0.000 0.809 162 E CB -1.860 27.710 29.700 -0.217 0.000 1.389 162 E HN 0.294 nan 8.360 nan 0.000 0.413 163 F N 0.563 120.538 119.950 0.041 0.000 2.440 163 F HA 0.347 4.873 4.527 -0.001 0.000 0.328 163 F C -1.601 174.232 175.800 0.054 0.000 1.070 163 F CA -2.287 55.741 58.000 0.046 0.000 1.011 163 F CB 0.763 39.811 39.000 0.079 0.000 1.226 163 F HN -0.254 nan 8.300 nan 0.000 0.491 164 P HA 0.090 nan 4.420 nan 0.000 0.237 164 P C 0.740 178.149 177.300 0.183 0.000 1.788 164 P CA 0.248 63.464 63.100 0.194 0.000 1.061 164 P CB 0.000 31.830 31.700 0.216 0.000 1.967 165 G N 2.405 111.299 108.800 0.157 0.000 2.503 165 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.221 165 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.221 165 G C 1.079 176.021 174.900 0.071 0.000 1.131 165 G CA 0.577 45.745 45.100 0.113 0.000 0.756 165 G HN 0.295 nan 8.290 nan 0.000 0.572 166 D N 0.199 120.638 120.400 0.066 0.000 2.317 166 D HA 0.001 4.641 4.640 -0.001 0.000 0.211 166 D C 2.147 178.472 176.300 0.042 0.000 0.966 166 D CA 0.658 54.684 54.000 0.044 0.000 0.876 166 D CB 0.119 40.942 40.800 0.039 0.000 0.927 166 D HN 0.522 nan 8.370 nan 0.000 0.519 167 E N 0.396 120.636 120.200 0.068 0.000 2.431 167 E HA 0.034 4.384 4.350 -0.001 0.000 0.200 167 E C 0.879 177.469 176.600 -0.017 0.000 0.995 167 E CA -0.121 56.318 56.400 0.064 0.000 0.915 167 E CB 1.031 30.819 29.700 0.146 0.000 0.930 167 E HN 0.068 nan 8.360 nan 0.000 0.496 168 V N 1.091 120.991 119.914 -0.023 0.000 2.763 168 V HA 0.129 4.249 4.120 -0.001 0.000 0.306 168 V C -2.563 173.382 176.094 -0.249 0.000 1.059 168 V CA -1.771 60.404 62.300 -0.208 0.000 1.138 168 V CB 0.046 31.838 31.823 -0.052 0.000 0.940 168 V HN -0.143 nan 8.190 nan 0.000 0.489 169 P HA 0.382 nan 4.420 nan 0.000 0.276 169 P C -0.786 176.442 177.300 -0.119 0.000 1.235 169 P CA -0.096 62.869 63.100 -0.225 0.000 0.772 169 P CB 1.067 32.619 31.700 -0.247 0.000 0.871 170 V N 5.830 125.698 119.914 -0.076 0.000 2.325 170 V HA 0.252 4.372 4.120 -0.001 0.000 0.280 170 V C 0.051 176.108 176.094 -0.062 0.000 1.016 170 V CA -0.460 61.805 62.300 -0.058 0.000 0.818 170 V CB 0.891 32.680 31.823 -0.058 0.000 1.019 170 V HN 0.374 nan 8.190 nan 0.000 0.434 171 I N 5.217 125.758 120.570 -0.049 0.000 2.365 171 I HA 0.461 4.631 4.170 -0.001 0.000 0.291 171 I C 0.603 176.553 176.117 -0.277 0.000 1.004 171 I CA -0.054 61.207 61.300 -0.065 0.000 1.311 171 I CB 1.076 39.136 38.000 0.100 0.000 1.401 171 I HN 0.435 nan 8.210 nan 0.000 0.491 172 R N 4.294 124.650 120.500 -0.239 0.000 2.338 172 R HA 0.806 5.146 4.340 -0.001 0.000 0.317 172 R C 0.087 176.227 176.300 -0.267 0.000 0.968 172 R CA -0.573 55.341 56.100 -0.310 0.000 0.849 172 R CB 1.604 31.814 30.300 -0.150 0.000 1.128 172 R HN 0.904 nan 8.270 nan 0.000 0.448 173 G N -0.095 108.457 108.800 -0.414 0.000 2.570 173 G HA2 0.331 4.291 3.960 -0.001 0.000 0.310 173 G HA3 0.331 4.291 3.960 -0.001 0.000 0.310 173 G C -1.535 173.459 174.900 0.156 0.000 1.266 173 G CA -0.418 44.713 45.100 0.052 0.000 0.825 173 G HN 0.356 nan 8.290 nan 0.000 0.483 174 S N -0.926 114.987 115.700 0.355 0.000 2.789 174 S HA 0.567 5.036 4.470 -0.001 0.000 0.286 174 S C 1.013 175.667 174.600 0.091 0.000 1.153 174 S CA 0.705 58.942 58.200 0.062 0.000 1.084 174 S CB 0.949 63.850 63.200 -0.497 0.000 1.036 174 S HN 1.669 nan 8.310 nan 0.000 0.484 175 A N 4.517 127.417 122.820 0.132 0.000 1.933 175 A HA 0.011 4.330 4.320 -0.001 0.000 0.218 175 A C 1.872 179.381 177.584 -0.124 0.000 1.175 175 A CA 1.351 53.362 52.037 -0.043 0.000 0.628 175 A CB -0.590 18.358 19.000 -0.086 0.000 0.814 175 A HN 0.797 nan 8.150 nan 0.000 0.444 176 L N -0.962 120.162 121.223 -0.164 0.000 2.056 176 L HA -0.053 4.287 4.340 -0.001 0.000 0.207 176 L C 2.088 178.798 176.870 -0.267 0.000 1.078 176 L CA 1.567 56.272 54.840 -0.225 0.000 0.749 176 L CB -0.604 41.312 42.059 -0.237 0.000 0.901 176 L HN 0.260 nan 8.230 nan 0.000 0.433 177 L N -0.457 120.531 121.223 -0.392 0.000 2.156 177 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 177 L C 2.601 179.330 176.870 -0.236 0.000 1.095 177 L CA 1.692 56.230 54.840 -0.504 0.000 0.770 177 L CB -1.550 39.744 42.059 -1.274 0.000 0.914 177 L HN 0.318 nan 8.230 nan 0.000 0.439 178 A N -1.008 121.746 122.820 -0.109 0.000 1.898 178 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 178 A C 2.221 179.766 177.584 -0.067 0.000 1.181 178 A CA 1.443 53.494 52.037 0.023 0.000 0.620 178 A CB -0.699 18.321 19.000 0.033 0.000 0.819 178 A HN 0.313 nan 8.150 nan 0.000 0.442 179 L N 0.175 121.320 121.223 -0.129 0.000 2.056 179 L HA -0.127 4.213 4.340 -0.001 0.000 0.207 179 L C 2.284 179.103 176.870 -0.084 0.000 1.078 179 L CA 2.491 57.228 54.840 -0.173 0.000 0.749 179 L CB -0.643 41.315 42.059 -0.169 0.000 0.901 179 L HN 0.578 nan 8.230 nan 0.000 0.433 180 E N -0.824 119.314 120.200 -0.102 0.000 2.077 180 E HA -0.315 4.035 4.350 -0.001 0.000 0.193 180 E C 2.100 178.689 176.600 -0.018 0.000 0.989 180 E CA 1.452 57.802 56.400 -0.083 0.000 0.800 180 E CB -0.017 29.602 29.700 -0.134 0.000 0.746 180 E HN 0.592 nan 8.360 nan 0.000 0.452 181 Q N 0.155 119.947 119.800 -0.013 0.000 2.061 181 Q HA -0.153 4.187 4.340 -0.001 0.000 0.204 181 Q C 2.016 178.023 176.000 0.012 0.000 0.984 181 Q CA 1.904 57.726 55.803 0.031 0.000 0.846 181 Q CB -0.238 28.553 28.738 0.089 0.000 0.902 181 Q HN 0.251 nan 8.270 nan 0.000 0.421 182 M N -0.756 118.812 119.600 -0.052 0.000 2.296 182 M HA -0.098 4.381 4.480 -0.001 0.000 0.265 182 M C 1.673 177.877 176.300 -0.160 0.000 1.064 182 M CA 1.494 56.741 55.300 -0.089 0.000 1.109 182 M CB -0.993 31.519 32.600 -0.146 0.000 1.396 182 M HN 0.363 nan 8.290 nan 0.000 0.430 183 H N -0.419 118.519 119.070 -0.221 0.000 2.363 183 H HA 0.067 4.623 4.556 -0.001 0.000 0.301 183 H C 2.241 177.543 175.328 -0.043 0.000 1.074 183 H CA 1.377 57.332 56.048 -0.156 0.000 1.354 183 H CB 0.117 29.755 29.762 -0.206 0.000 1.397 183 H HN 0.265 nan 8.280 nan 0.000 0.516 184 R N -0.108 120.440 120.500 0.080 0.000 2.115 184 R HA -0.028 4.311 4.340 -0.001 0.000 0.230 184 R C 0.048 176.379 176.300 0.051 0.000 1.111 184 R CA 1.115 57.248 56.100 0.055 0.000 0.976 184 R CB 0.139 30.463 30.300 0.039 0.000 0.870 184 R HN 0.150 nan 8.270 nan 0.000 0.445 185 N N -0.684 118.046 118.700 0.049 0.000 2.732 185 N HA 0.155 4.894 4.740 -0.001 0.000 0.247 185 N C -2.503 173.045 175.510 0.064 0.000 1.305 185 N CA -1.773 51.309 53.050 0.054 0.000 0.762 185 N CB 1.586 40.104 38.487 0.052 0.000 1.361 185 N HN -0.281 nan 8.380 nan 0.000 0.545 186 P HA -0.096 nan 4.420 nan 0.000 0.223 186 P C 0.490 177.846 177.300 0.092 0.000 1.144 186 P CA 1.065 64.226 63.100 0.103 0.000 0.783 186 P CB 0.335 32.094 31.700 0.098 0.000 0.771 187 K N -1.576 118.869 120.400 0.075 0.000 2.374 187 K HA 0.143 4.463 4.320 -0.001 0.000 0.196 187 K C 0.276 176.926 176.600 0.083 0.000 1.023 187 K CA 0.262 56.592 56.287 0.072 0.000 1.103 187 K CB -0.578 31.954 32.500 0.052 0.000 0.848 187 K HN 0.128 nan 8.250 nan 0.000 0.528 188 T N 2.959 117.568 114.554 0.092 0.000 2.866 188 T HA 0.013 4.363 4.350 -0.001 0.000 0.293 188 T C 0.590 175.375 174.700 0.141 0.000 1.005 188 T CA 0.651 62.813 62.100 0.103 0.000 1.162 188 T CB 0.417 69.350 68.868 0.108 0.000 0.968 188 T HN 0.129 nan 8.240 nan 0.000 0.530 189 R N 1.466 122.032 120.500 0.111 0.000 2.782 189 R HA 0.501 4.841 4.340 -0.001 0.000 0.258 189 R C 0.467 176.817 176.300 0.083 0.000 1.055 189 R CA -1.141 55.021 56.100 0.103 0.000 1.065 189 R CB 1.145 31.459 30.300 0.023 0.000 1.172 189 R HN 0.517 nan 8.270 nan 0.000 0.510 190 R N 0.082 120.548 120.500 -0.056 0.000 2.640 190 R HA 0.001 4.340 4.340 -0.001 0.000 0.270 190 R C 0.562 176.814 176.300 -0.081 0.000 1.024 190 R CA 1.791 57.786 56.100 -0.173 0.000 1.085 190 R CB 0.049 29.968 30.300 -0.636 0.000 0.963 190 R HN 0.868 nan 8.270 nan 0.000 0.426 191 G N 2.750 111.536 108.800 -0.023 0.000 2.253 191 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.251 191 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.251 191 G C 0.719 175.617 174.900 -0.003 0.000 0.998 191 G CA 0.478 45.564 45.100 -0.023 0.000 0.621 191 G HN 0.720 nan 8.290 nan 0.000 0.524 192 E N -0.089 120.123 120.200 0.020 0.000 2.122 192 E HA 0.050 4.399 4.350 -0.001 0.000 0.190 192 E C 1.038 177.655 176.600 0.029 0.000 0.977 192 E CA 0.624 57.039 56.400 0.025 0.000 0.820 192 E CB 0.153 29.878 29.700 0.040 0.000 0.770 192 E HN 0.461 nan 8.360 nan 0.000 0.462 193 N N 0.105 118.834 118.700 0.049 0.000 2.225 193 N HA -0.018 4.721 4.740 -0.001 0.000 0.298 193 N C 0.102 175.610 175.510 -0.004 0.000 1.076 193 N CA -0.036 53.036 53.050 0.037 0.000 0.792 193 N CB 2.012 40.557 38.487 0.097 0.000 1.498 193 N HN -0.075 nan 8.380 nan 0.000 0.474 194 E N 2.518 122.635 120.200 -0.137 0.000 2.051 194 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 194 E C 0.840 177.282 176.600 -0.265 0.000 0.991 194 E CA 1.501 57.721 56.400 -0.300 0.000 0.799 194 E CB 0.010 29.357 29.700 -0.589 0.000 0.748 194 E HN 0.695 nan 8.360 nan 0.000 0.449 195 W N 0.217 121.542 121.300 0.042 0.000 2.381 195 W HA -0.112 4.548 4.660 -0.001 0.000 0.301 195 W C 2.367 178.918 176.519 0.052 0.000 1.205 195 W CA 0.248 57.620 57.345 0.044 0.000 1.285 195 W CB -0.419 29.055 29.460 0.023 0.000 1.133 195 W HN -0.060 nan 8.180 nan 0.000 0.521 196 V N 0.667 120.737 119.914 0.260 0.000 2.407 196 V HA -0.289 3.830 4.120 -0.001 0.000 0.248 196 V C 1.681 177.902 176.094 0.213 0.000 1.055 196 V CA 2.068 64.474 62.300 0.178 0.000 1.049 196 V CB -0.840 31.093 31.823 0.184 0.000 0.662 196 V HN 0.075 nan 8.190 nan 0.000 0.455 197 D N -0.087 120.445 120.400 0.220 0.000 2.178 197 D HA -0.124 4.516 4.640 -0.001 0.000 0.201 197 D C 2.237 178.667 176.300 0.217 0.000 0.980 197 D CA 0.863 55.012 54.000 0.248 0.000 0.842 197 D CB -0.174 40.695 40.800 0.115 0.000 0.948 197 D HN 0.272 nan 8.370 nan 0.000 0.472 198 K N 0.354 120.858 120.400 0.174 0.000 2.211 198 K HA -0.028 4.291 4.320 -0.001 0.000 0.203 198 K C 1.943 178.672 176.600 0.215 0.000 1.050 198 K CA 0.243 56.649 56.287 0.198 0.000 0.945 198 K CB -0.056 32.592 32.500 0.248 0.000 0.732 198 K HN 0.243 nan 8.250 nan 0.000 0.451 199 I N -1.079 119.557 120.570 0.110 0.000 2.353 199 I HA -0.188 3.981 4.170 -0.001 0.000 0.248 199 I C 2.045 178.070 176.117 -0.153 0.000 1.119 199 I CA 0.855 62.097 61.300 -0.097 0.000 1.417 199 I CB -1.061 36.773 38.000 -0.278 0.000 1.078 199 I HN 0.180 nan 8.210 nan 0.000 0.421 200 W N 1.724 123.038 121.300 0.023 0.000 2.363 200 W HA -0.154 4.506 4.660 -0.001 0.000 0.296 200 W C 2.597 179.133 176.519 0.029 0.000 1.212 200 W CA 0.764 58.117 57.345 0.014 0.000 1.260 200 W CB -0.205 29.265 29.460 0.017 0.000 1.131 200 W HN 0.172 nan 8.180 nan 0.000 0.530 201 E N -0.020 120.332 120.200 0.254 0.000 2.085 201 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 201 E C 2.034 178.719 176.600 0.143 0.000 0.994 201 E CA 1.449 57.956 56.400 0.177 0.000 0.801 201 E CB -0.442 29.342 29.700 0.140 0.000 0.743 201 E HN 0.166 nan 8.360 nan 0.000 0.453 202 L N 0.897 122.196 121.223 0.126 0.000 2.017 202 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 202 L C 2.057 178.949 176.870 0.037 0.000 1.073 202 L CA 1.529 56.424 54.840 0.090 0.000 0.745 202 L CB -0.386 41.704 42.059 0.051 0.000 0.894 202 L HN 0.113 nan 8.230 nan 0.000 0.432 203 L N -0.527 120.695 121.223 -0.002 0.000 2.083 203 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 203 L C 2.239 179.190 176.870 0.135 0.000 1.083 203 L CA 1.338 56.182 54.840 0.007 0.000 0.752 203 L CB -0.780 41.255 42.059 -0.041 0.000 0.899 203 L HN 0.296 nan 8.230 nan 0.000 0.433 204 D N -0.001 120.512 120.400 0.188 0.000 2.117 204 D HA -0.152 4.488 4.640 -0.001 0.000 0.197 204 D C 2.216 178.602 176.300 0.143 0.000 0.987 204 D CA 1.466 55.573 54.000 0.178 0.000 0.829 204 D CB -0.041 40.856 40.800 0.161 0.000 0.961 204 D HN 0.317 nan 8.370 nan 0.000 0.460 205 A N 0.237 123.129 122.820 0.120 0.000 1.969 205 A HA -0.079 4.241 4.320 -0.001 0.000 0.218 205 A C 2.318 179.996 177.584 0.156 0.000 1.169 205 A CA 0.672 52.778 52.037 0.114 0.000 0.635 205 A CB -0.500 18.540 19.000 0.067 0.000 0.810 205 A HN 0.188 nan 8.150 nan 0.000 0.445 206 I N -0.575 120.069 120.570 0.124 0.000 2.233 206 I HA -0.177 3.993 4.170 -0.001 0.000 0.243 206 I C 1.964 178.194 176.117 0.189 0.000 1.093 206 I CA 1.212 62.584 61.300 0.120 0.000 1.380 206 I CB -0.364 37.620 38.000 -0.026 0.000 1.067 206 I HN 0.199 nan 8.210 nan 0.000 0.413 207 D N 0.755 121.285 120.400 0.216 0.000 2.116 207 D HA -0.191 4.449 4.640 -0.001 0.000 0.193 207 D C 2.124 178.524 176.300 0.167 0.000 0.998 207 D CA 1.365 55.518 54.000 0.255 0.000 0.836 207 D CB -0.070 40.869 40.800 0.232 0.000 0.951 207 D HN 0.291 nan 8.370 nan 0.000 0.449 208 E N -1.114 119.175 120.200 0.149 0.000 2.276 208 E HA -0.065 4.285 4.350 -0.001 0.000 0.193 208 E C 1.873 178.548 176.600 0.125 0.000 0.983 208 E CA 0.170 56.642 56.400 0.120 0.000 0.861 208 E CB -0.149 29.622 29.700 0.119 0.000 0.817 208 E HN 0.400 nan 8.360 nan 0.000 0.485 209 Y N 0.860 121.159 120.300 -0.001 0.000 2.347 209 Y HA 0.183 4.733 4.550 -0.001 0.000 0.294 209 Y C 0.863 176.646 175.900 -0.195 0.000 1.117 209 Y CA 0.286 58.356 58.100 -0.049 0.000 1.184 209 Y CB 0.425 38.890 38.460 0.008 0.000 1.047 209 Y HN -0.203 nan 8.280 nan 0.000 0.546 210 I N 4.856 125.333 120.570 -0.155 0.000 2.322 210 I HA 0.195 4.365 4.170 -0.001 0.000 0.292 210 I C -2.131 173.808 176.117 -0.297 0.000 1.060 210 I CA -2.009 59.077 61.300 -0.356 0.000 1.309 210 I CB 0.787 38.774 38.000 -0.023 0.000 1.415 210 I HN 0.049 nan 8.210 nan 0.000 0.492 211 P HA 0.105 nan 4.420 nan 0.000 0.274 211 P C -0.465 176.776 177.300 -0.097 0.000 1.237 211 P CA -0.372 62.591 63.100 -0.230 0.000 0.793 211 P CB 0.629 32.182 31.700 -0.246 0.000 0.977 212 T N 3.835 118.362 114.554 -0.044 0.000 2.799 212 T HA 0.246 4.595 4.350 -0.001 0.000 0.296 212 T C -1.948 172.757 174.700 0.008 0.000 0.947 212 T CA -0.510 61.583 62.100 -0.013 0.000 1.141 212 T CB -0.647 68.217 68.868 -0.007 0.000 0.891 212 T HN 0.365 nan 8.240 nan 0.000 0.533 213 P HA 0.143 nan 4.420 nan 0.000 0.269 213 P C -0.680 176.646 177.300 0.043 0.000 1.215 213 P CA -0.508 62.623 63.100 0.051 0.000 0.780 213 P CB 0.409 32.146 31.700 0.062 0.000 0.898 214 V N 4.329 124.270 119.914 0.044 0.000 2.405 214 V HA 0.157 4.277 4.120 -0.001 0.000 0.264 214 V C 0.785 176.902 176.094 0.038 0.000 1.048 214 V CA -0.124 62.198 62.300 0.037 0.000 0.966 214 V CB -0.245 31.598 31.823 0.034 0.000 1.015 214 V HN 0.419 nan 8.190 nan 0.000 0.477 215 R N 3.086 123.610 120.500 0.039 0.000 2.346 215 R HA 0.336 4.676 4.340 -0.001 0.000 0.311 215 R C -0.640 175.680 176.300 0.034 0.000 0.983 215 R CA -0.615 55.509 56.100 0.040 0.000 0.880 215 R CB 1.418 31.747 30.300 0.048 0.000 1.100 215 R HN 0.559 nan 8.270 nan 0.000 0.453 216 D N 3.464 123.883 120.400 0.032 0.000 2.494 216 D HA 0.037 4.676 4.640 -0.001 0.000 0.217 216 D C 1.221 177.541 176.300 0.034 0.000 1.153 216 D CA 0.008 54.024 54.000 0.028 0.000 0.954 216 D CB 1.010 41.823 40.800 0.022 0.000 1.034 216 D HN 0.349 nan 8.370 nan 0.000 0.518 217 V N -0.212 119.723 119.914 0.035 0.000 3.573 217 V HA 0.093 4.213 4.120 -0.001 0.000 0.270 217 V C 0.617 176.734 176.094 0.037 0.000 1.221 217 V CA 0.572 62.896 62.300 0.040 0.000 1.163 217 V CB 0.135 31.977 31.823 0.033 0.000 0.847 217 V HN 0.140 nan 8.190 nan 0.000 0.468 218 D N -0.025 120.393 120.400 0.031 0.000 2.395 218 D HA 0.207 4.847 4.640 -0.001 0.000 0.213 218 D C 0.552 176.868 176.300 0.027 0.000 1.110 218 D CA 0.088 54.103 54.000 0.026 0.000 0.835 218 D CB 0.678 41.490 40.800 0.020 0.000 0.965 218 D HN 0.453 nan 8.370 nan 0.000 0.505 219 K N 1.200 121.619 120.400 0.032 0.000 2.168 219 K HA 0.444 4.764 4.320 -0.001 0.000 0.239 219 K C -2.539 174.086 176.600 0.042 0.000 0.999 219 K CA -1.894 54.409 56.287 0.027 0.000 0.900 219 K CB 0.635 33.145 32.500 0.016 0.000 1.111 219 K HN -0.205 nan 8.250 nan 0.000 0.452 220 P HA -0.034 nan 4.420 nan 0.000 0.266 220 P C -0.335 177.012 177.300 0.078 0.000 1.195 220 P CA -0.094 63.041 63.100 0.058 0.000 0.768 220 P CB 0.131 31.849 31.700 0.029 0.000 0.838 221 F N 4.869 124.808 119.950 -0.017 0.000 2.608 221 F HA 0.240 4.767 4.527 -0.001 0.000 0.380 221 F C -0.501 175.286 175.800 -0.021 0.000 1.083 221 F CA 0.199 58.186 58.000 -0.020 0.000 1.266 221 F CB -0.079 38.906 39.000 -0.025 0.000 1.076 221 F HN 0.103 nan 8.300 nan 0.000 0.574 222 L N 8.942 129.661 121.223 -0.841 0.000 2.516 222 L HA 0.497 4.836 4.340 -0.001 0.000 0.267 222 L C -1.663 174.740 176.870 -0.779 0.000 0.957 222 L CA -0.699 53.698 54.840 -0.739 0.000 0.860 222 L CB 1.722 43.593 42.059 -0.314 0.000 1.265 222 L HN 0.796 nan 8.230 nan 0.000 0.403 223 M N 7.266 126.421 119.600 -0.741 0.000 2.124 223 M HA 0.576 5.055 4.480 -0.001 0.000 0.280 223 M C -2.738 173.450 176.300 -0.186 0.000 0.954 223 M CA -1.399 53.673 55.300 -0.380 0.000 0.958 223 M CB 2.403 34.849 32.600 -0.257 0.000 1.611 223 M HN 0.348 nan 8.290 nan 0.000 0.449 224 P HA 0.125 nan 4.420 nan 0.000 0.271 224 P C -0.877 176.408 177.300 -0.025 0.000 1.220 224 P CA -0.244 62.826 63.100 -0.050 0.000 0.768 224 P CB 0.847 32.540 31.700 -0.012 0.000 0.848 225 V N 4.462 124.365 119.914 -0.020 0.000 2.488 225 V HA 0.028 4.148 4.120 -0.001 0.000 0.277 225 V C 1.464 177.565 176.094 0.013 0.000 1.046 225 V CA 0.460 62.752 62.300 -0.014 0.000 0.986 225 V CB 0.668 32.476 31.823 -0.025 0.000 0.989 225 V HN 0.655 nan 8.190 nan 0.000 0.475 226 E N 2.516 122.728 120.200 0.021 0.000 2.340 226 E HA 0.215 4.564 4.350 -0.001 0.000 0.198 226 E C 0.205 176.841 176.600 0.060 0.000 0.961 226 E CA -0.029 56.406 56.400 0.058 0.000 0.905 226 E CB 0.657 30.417 29.700 0.100 0.000 0.884 226 E HN 0.597 nan 8.360 nan 0.000 0.491 227 D N -0.748 119.667 120.400 0.025 0.000 2.622 227 D HA 0.410 5.050 4.640 -0.001 0.000 0.255 227 D C -1.754 174.508 176.300 -0.064 0.000 1.246 227 D CA -0.710 53.315 54.000 0.042 0.000 0.795 227 D CB 2.531 43.412 40.800 0.135 0.000 1.369 227 D HN -0.071 nan 8.370 nan 0.000 0.425 228 V N 2.042 121.932 119.914 -0.040 0.000 2.808 228 V HA 0.766 4.885 4.120 -0.001 0.000 0.308 228 V C -0.821 175.235 176.094 -0.063 0.000 1.099 228 V CA -0.692 61.490 62.300 -0.198 0.000 0.920 228 V CB 1.612 33.372 31.823 -0.105 0.000 1.014 228 V HN 0.543 nan 8.190 nan 0.000 0.425 229 F N 0.411 120.353 119.950 -0.014 0.000 2.789 229 F HA 0.864 5.390 4.527 -0.001 0.000 0.319 229 F C -0.464 175.329 175.800 -0.012 0.000 1.168 229 F CA -1.024 56.969 58.000 -0.012 0.000 0.934 229 F CB 1.478 40.469 39.000 -0.015 0.000 1.375 229 F HN 0.259 nan 8.300 nan 0.000 0.480 230 T N 1.869 116.609 114.554 0.310 0.000 2.823 230 T HA 0.632 4.982 4.350 -0.001 0.000 0.279 230 T C -0.505 174.321 174.700 0.211 0.000 0.998 230 T CA -0.325 61.881 62.100 0.176 0.000 0.994 230 T CB 1.334 70.259 68.868 0.095 0.000 0.960 230 T HN 0.540 nan 8.240 nan 0.000 0.448 231 I N 3.852 124.515 120.570 0.156 0.000 2.442 231 I HA 0.163 4.332 4.170 -0.001 0.000 0.279 231 I C 0.907 177.062 176.117 0.064 0.000 1.081 231 I CA -0.785 60.587 61.300 0.120 0.000 1.197 231 I CB 0.614 38.691 38.000 0.129 0.000 1.394 231 I HN 0.767 nan 8.210 nan 0.000 0.488 232 T N 1.609 116.191 114.554 0.048 0.000 2.723 232 T HA 0.001 4.351 4.350 -0.001 0.000 0.260 232 T C 1.386 176.100 174.700 0.024 0.000 1.019 232 T CA 0.551 62.669 62.100 0.030 0.000 1.155 232 T CB 0.512 69.392 68.868 0.021 0.000 1.024 232 T HN 1.046 nan 8.240 nan 0.000 0.491 233 G N 3.303 112.114 108.800 0.018 0.000 2.179 233 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.260 233 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.260 233 G C 0.890 175.798 174.900 0.014 0.000 0.977 233 G CA 0.611 45.719 45.100 0.013 0.000 0.641 233 G HN 0.823 nan 8.290 nan 0.000 0.533 234 R N -0.965 119.546 120.500 0.019 0.000 2.437 234 R HA 0.514 4.854 4.340 -0.001 0.000 0.184 234 R C 1.338 177.644 176.300 0.011 0.000 0.850 234 R CA 1.129 57.239 56.100 0.017 0.000 1.073 234 R CB 0.809 31.125 30.300 0.026 0.000 1.336 234 R HN 1.366 nan 8.270 nan 0.000 0.640 235 G N -0.283 108.527 108.800 0.017 0.000 2.270 235 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.268 235 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.268 235 G C -1.133 173.767 174.900 -0.000 0.000 1.312 235 G CA -0.838 44.265 45.100 0.005 0.000 1.050 235 G HN 0.007 nan 8.290 nan 0.000 0.474 236 T N 0.533 115.069 114.554 -0.029 0.000 2.771 236 T HA 0.565 4.915 4.350 -0.001 0.000 0.291 236 T C 0.008 174.629 174.700 -0.132 0.000 0.954 236 T CA -0.170 61.889 62.100 -0.068 0.000 1.045 236 T CB 1.465 70.294 68.868 -0.064 0.000 0.917 236 T HN 0.852 nan 8.240 nan 0.000 0.484 237 V N 2.750 122.506 119.914 -0.263 0.000 2.448 237 V HA 0.743 4.862 4.120 -0.001 0.000 0.295 237 V C 0.094 175.857 176.094 -0.552 0.000 1.025 237 V CA -0.996 61.068 62.300 -0.395 0.000 0.859 237 V CB 1.506 33.035 31.823 -0.490 0.000 0.988 237 V HN 1.054 nan 8.190 nan 0.000 0.431 238 A N 3.499 126.116 122.820 -0.338 0.000 2.317 238 A HA 0.872 5.191 4.320 -0.001 0.000 0.327 238 A C 0.176 177.621 177.584 -0.232 0.000 1.178 238 A CA -0.394 51.480 52.037 -0.271 0.000 0.817 238 A CB 1.190 20.109 19.000 -0.136 0.000 1.189 238 A HN 0.917 nan 8.150 nan 0.000 0.489 239 T N -0.588 113.843 114.554 -0.206 0.000 2.940 239 T HA 0.920 5.270 4.350 -0.001 0.000 0.288 239 T C 0.123 174.785 174.700 -0.065 0.000 1.033 239 T CA -0.189 61.832 62.100 -0.131 0.000 1.033 239 T CB 1.859 70.655 68.868 -0.120 0.000 1.079 239 T HN 2.214 nan 8.240 nan 0.000 0.496 240 G N 0.357 109.131 108.800 -0.042 0.000 2.320 240 G HA2 0.411 4.371 3.960 -0.001 0.000 0.297 240 G HA3 0.411 4.371 3.960 -0.001 0.000 0.297 240 G C -1.763 173.153 174.900 0.026 0.000 1.344 240 G CA -1.213 43.894 45.100 0.011 0.000 0.851 240 G HN 0.828 nan 8.290 nan 0.000 0.567 241 R N 0.109 120.639 120.500 0.049 0.000 2.312 241 R HA 0.589 4.928 4.340 -0.001 0.000 0.311 241 R C -0.057 176.260 176.300 0.029 0.000 1.004 241 R CA -0.742 55.393 56.100 0.059 0.000 0.902 241 R CB 0.585 30.937 30.300 0.086 0.000 1.073 241 R HN 0.428 nan 8.270 nan 0.000 0.457 242 I N 4.144 124.739 120.570 0.042 0.000 2.517 242 I HA -0.058 4.111 4.170 -0.001 0.000 0.285 242 I C 1.225 177.345 176.117 0.006 0.000 1.106 242 I CA 0.210 61.530 61.300 0.033 0.000 1.402 242 I CB 1.260 39.340 38.000 0.133 0.000 1.399 242 I HN 0.773 nan 8.210 nan 0.000 0.535 243 E N 6.182 126.348 120.200 -0.058 0.000 2.076 243 E HA -0.022 4.327 4.350 -0.001 0.000 0.190 243 E C 0.114 176.703 176.600 -0.019 0.000 0.979 243 E CA 1.012 57.390 56.400 -0.037 0.000 0.807 243 E CB 0.377 30.035 29.700 -0.071 0.000 0.761 243 E HN 0.664 nan 8.360 nan 0.000 0.454 244 R N -2.854 117.624 120.500 -0.037 0.000 2.716 244 R HA 0.610 4.950 4.340 -0.001 0.000 0.271 244 R C 0.092 176.426 176.300 0.057 0.000 1.028 244 R CA -0.644 55.460 56.100 0.007 0.000 0.883 244 R CB 0.676 30.971 30.300 -0.008 0.000 1.250 244 R HN 0.154 nan 8.270 nan 0.000 0.465 245 G N 0.921 109.775 108.800 0.089 0.000 2.584 245 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.229 245 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.229 245 G C -1.249 173.759 174.900 0.180 0.000 1.320 245 G CA -0.015 45.175 45.100 0.150 0.000 0.891 245 G HN 0.758 nan 8.290 nan 0.000 0.573 246 K N -1.799 118.711 120.400 0.184 0.000 2.522 246 K HA 0.755 5.075 4.320 -0.001 0.000 0.275 246 K C -1.427 175.069 176.600 -0.173 0.000 1.006 246 K CA -0.680 55.638 56.287 0.050 0.000 0.890 246 K CB 2.911 35.406 32.500 -0.009 0.000 1.475 246 K HN 1.186 nan 8.250 nan 0.000 0.441 247 V N 1.119 120.846 119.914 -0.313 0.000 2.851 247 V HA 0.493 4.612 4.120 -0.001 0.000 0.307 247 V C -1.912 174.002 176.094 -0.300 0.000 1.129 247 V CA -0.547 61.421 62.300 -0.553 0.000 0.932 247 V CB 1.983 33.174 31.823 -1.053 0.000 1.024 247 V HN 0.668 nan 8.190 nan 0.000 0.426 248 K N 4.245 124.496 120.400 -0.248 0.000 2.385 248 K HA 0.655 4.974 4.320 -0.001 0.000 0.248 248 K C -1.106 175.409 176.600 -0.142 0.000 0.955 248 K CA -0.919 55.274 56.287 -0.157 0.000 0.816 248 K CB 2.499 34.932 32.500 -0.112 0.000 1.250 248 K HN 0.496 nan 8.250 nan 0.000 0.434 249 V N 1.750 121.601 119.914 -0.105 0.000 2.617 249 V HA 0.052 4.172 4.120 -0.001 0.000 0.304 249 V C 1.367 177.416 176.094 -0.077 0.000 1.040 249 V CA 1.973 64.222 62.300 -0.085 0.000 1.149 249 V CB 0.241 32.028 31.823 -0.061 0.000 0.914 249 V HN 1.181 nan 8.190 nan 0.000 0.487 250 G N 3.662 112.418 108.800 -0.073 0.000 2.213 250 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.226 250 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.226 250 G C -0.041 174.819 174.900 -0.068 0.000 0.992 250 G CA -0.002 45.062 45.100 -0.061 0.000 0.632 250 G HN 0.658 nan 8.290 nan 0.000 0.511 251 D N 1.384 121.728 120.400 -0.095 0.000 2.362 251 D HA 0.475 5.114 4.640 -0.001 0.000 0.242 251 D C 0.591 176.841 176.300 -0.082 0.000 1.132 251 D CA 0.213 54.153 54.000 -0.100 0.000 0.907 251 D CB 0.769 41.471 40.800 -0.163 0.000 1.195 251 D HN 0.489 nan 8.370 nan 0.000 0.429 252 E N 0.051 120.217 120.200 -0.057 0.000 2.231 252 E HA 0.452 4.802 4.350 -0.001 0.000 0.277 252 E C -0.485 176.105 176.600 -0.017 0.000 0.999 252 E CA -0.817 55.562 56.400 -0.034 0.000 0.827 252 E CB 1.713 31.401 29.700 -0.020 0.000 1.101 252 E HN 0.251 nan 8.360 nan 0.000 0.393 253 V N -0.600 119.317 119.914 0.005 0.000 3.040 253 V HA 0.534 4.654 4.120 -0.001 0.000 0.312 253 V C -0.630 175.490 176.094 0.044 0.000 1.115 253 V CA -0.958 61.379 62.300 0.061 0.000 0.998 253 V CB 2.049 33.942 31.823 0.117 0.000 1.042 253 V HN 0.605 nan 8.190 nan 0.000 0.433 254 E N 1.792 122.022 120.200 0.051 0.000 2.191 254 E HA 0.597 4.946 4.350 -0.001 0.000 0.274 254 E C -1.168 175.438 176.600 0.010 0.000 0.948 254 E CA -0.798 55.612 56.400 0.017 0.000 0.802 254 E CB 2.373 32.074 29.700 0.002 0.000 1.137 254 E HN 0.693 nan 8.360 nan 0.000 0.397 255 I N 3.629 124.196 120.570 -0.006 0.000 2.291 255 I HA 0.172 4.342 4.170 -0.001 0.000 0.290 255 I C -0.640 175.459 176.117 -0.030 0.000 1.050 255 I CA -0.596 60.694 61.300 -0.016 0.000 1.245 255 I CB 0.851 38.841 38.000 -0.017 0.000 1.405 255 I HN 0.102 nan 8.210 nan 0.000 0.478 256 V N 5.375 125.264 119.914 -0.042 0.000 2.459 256 V HA 0.919 5.038 4.120 -0.001 0.000 0.295 256 V C 0.485 176.542 176.094 -0.062 0.000 1.029 256 V CA -0.531 61.733 62.300 -0.059 0.000 0.874 256 V CB 1.034 32.811 31.823 -0.077 0.000 0.985 256 V HN 1.036 nan 8.190 nan 0.000 0.438 257 G N 2.772 111.534 108.800 -0.064 0.000 2.629 257 G HA2 0.065 4.025 3.960 -0.001 0.000 0.686 257 G HA3 0.065 4.025 3.960 -0.001 0.000 0.686 257 G C -0.195 174.681 174.900 -0.039 0.000 1.232 257 G CA -0.477 44.588 45.100 -0.059 0.000 0.803 257 G HN 1.378 nan 8.290 nan 0.000 0.638 258 L N -2.327 118.876 121.223 -0.032 0.000 5.272 258 L HA -0.260 4.079 4.340 -0.001 0.000 0.439 258 L C 1.440 178.298 176.870 -0.020 0.000 1.014 258 L CA 1.980 56.808 54.840 -0.020 0.000 1.156 258 L CB -1.607 40.445 42.059 -0.012 0.000 1.767 258 L HN 2.262 nan 8.230 nan 0.000 0.703 259 A N -0.724 122.080 122.820 -0.026 0.000 2.350 259 A HA 0.751 5.071 4.320 -0.001 0.000 0.318 259 A C -1.259 176.309 177.584 -0.027 0.000 1.132 259 A CA -0.582 51.441 52.037 -0.023 0.000 0.811 259 A CB 0.920 19.907 19.000 -0.023 0.000 1.313 259 A HN -0.004 nan 8.150 nan 0.000 0.454 260 P HA -0.067 nan 4.420 nan 0.000 0.217 260 P C 0.109 177.393 177.300 -0.027 0.000 1.151 260 P CA 1.182 64.269 63.100 -0.023 0.000 0.828 260 P CB 0.158 31.848 31.700 -0.018 0.000 0.788 261 E N -0.842 119.343 120.200 -0.025 0.000 2.263 261 E HA 0.496 4.846 4.350 -0.001 0.000 0.264 261 E C -0.905 175.677 176.600 -0.029 0.000 0.923 261 E CA -0.946 55.438 56.400 -0.026 0.000 0.802 261 E CB 1.079 30.767 29.700 -0.021 0.000 1.228 261 E HN -0.309 nan 8.360 nan 0.000 0.417 262 T N 0.989 115.525 114.554 -0.031 0.000 2.837 262 T HA 0.357 4.707 4.350 -0.001 0.000 0.285 262 T C -0.375 174.311 174.700 -0.023 0.000 0.984 262 T CA -0.528 61.554 62.100 -0.031 0.000 1.049 262 T CB 0.860 69.706 68.868 -0.036 0.000 0.947 262 T HN 0.347 nan 8.240 nan 0.000 0.472 263 R N 2.013 122.500 120.500 -0.021 0.000 2.474 263 R HA 0.529 4.869 4.340 -0.001 0.000 0.295 263 R C -0.670 175.622 176.300 -0.013 0.000 0.980 263 R CA -0.468 55.622 56.100 -0.017 0.000 0.934 263 R CB 0.713 31.003 30.300 -0.017 0.000 1.101 263 R HN 0.460 nan 8.270 nan 0.000 0.469 264 K N 1.478 121.871 120.400 -0.012 0.000 2.324 264 K HA 0.484 4.803 4.320 -0.001 0.000 0.253 264 K C -1.056 175.537 176.600 -0.011 0.000 0.932 264 K CA -0.617 55.665 56.287 -0.009 0.000 0.799 264 K CB 2.243 34.738 32.500 -0.009 0.000 1.154 264 K HN 0.649 nan 8.250 nan 0.000 0.425 265 T N 0.252 114.800 114.554 -0.010 0.000 2.671 265 T HA 0.395 4.745 4.350 -0.001 0.000 0.300 265 T C -1.817 172.871 174.700 -0.021 0.000 1.238 265 T CA -0.571 61.519 62.100 -0.016 0.000 1.020 265 T CB 1.543 70.399 68.868 -0.019 0.000 1.503 265 T HN 0.244 nan 8.240 nan 0.000 0.497 266 V N 1.956 121.854 119.914 -0.028 0.000 2.581 266 V HA 0.751 4.871 4.120 -0.001 0.000 0.303 266 V C -0.586 175.480 176.094 -0.047 0.000 1.041 266 V CA -0.484 61.794 62.300 -0.037 0.000 0.907 266 V CB 1.700 33.502 31.823 -0.035 0.000 0.994 266 V HN 0.762 nan 8.190 nan 0.000 0.442 267 V N 6.094 125.969 119.914 -0.065 0.000 2.455 267 V HA 0.284 4.404 4.120 -0.001 0.000 0.273 267 V C 1.236 177.289 176.094 -0.068 0.000 1.045 267 V CA 0.667 62.920 62.300 -0.078 0.000 0.976 267 V CB 1.011 32.761 31.823 -0.123 0.000 0.993 267 V HN 1.086 nan 8.190 nan 0.000 0.475 268 T N 0.337 114.857 114.554 -0.056 0.000 3.085 268 T HA 0.509 4.858 4.350 -0.001 0.000 0.264 268 T C 0.482 175.156 174.700 -0.043 0.000 1.019 268 T CA 0.287 62.359 62.100 -0.046 0.000 0.910 268 T CB 0.422 69.269 68.868 -0.034 0.000 1.059 268 T HN 1.028 nan 8.240 nan 0.000 0.542 269 G N 0.199 108.967 108.800 -0.053 0.000 2.616 269 G HA2 0.521 4.480 3.960 -0.001 0.000 0.294 269 G HA3 0.521 4.480 3.960 -0.001 0.000 0.294 269 G C -2.081 172.782 174.900 -0.060 0.000 1.489 269 G CA -0.593 44.479 45.100 -0.047 0.000 0.836 269 G HN 0.315 nan 8.290 nan 0.000 0.527 270 V N 0.830 120.709 119.914 -0.058 0.000 2.668 270 V HA 0.674 4.794 4.120 -0.001 0.000 0.304 270 V C -0.649 175.409 176.094 -0.060 0.000 1.071 270 V CA -0.825 61.431 62.300 -0.072 0.000 0.894 270 V CB 1.729 33.494 31.823 -0.096 0.000 1.008 270 V HN 0.876 nan 8.190 nan 0.000 0.425 271 E N 4.120 124.281 120.200 -0.064 0.000 2.356 271 E HA 0.665 5.015 4.350 -0.001 0.000 0.275 271 E C -1.101 175.439 176.600 -0.100 0.000 0.904 271 E CA -0.924 55.446 56.400 -0.050 0.000 0.757 271 E CB 3.300 32.998 29.700 -0.004 0.000 1.232 271 E HN 0.651 nan 8.360 nan 0.000 0.442 272 M N 2.907 122.443 119.600 -0.107 0.000 2.093 272 M HA 0.279 4.759 4.480 -0.001 0.000 0.297 272 M C -1.076 175.250 176.300 0.043 0.000 0.938 272 M CA -0.226 54.964 55.300 -0.184 0.000 0.920 272 M CB 0.611 32.945 32.600 -0.444 0.000 1.517 272 M HN 0.609 nan 8.290 nan 0.000 0.427 273 H N 4.963 124.065 119.070 0.054 0.000 2.748 273 H HA -0.133 4.422 4.556 -0.001 0.000 0.322 273 H C -0.009 175.377 175.328 0.097 0.000 1.208 273 H CA 1.047 57.158 56.048 0.105 0.000 1.151 273 H CB -0.952 28.919 29.762 0.181 0.000 1.505 273 H HN 0.967 nan 8.280 nan 0.000 0.429 274 R N -2.483 118.094 120.500 0.128 0.000 4.016 274 R HA -0.181 4.158 4.340 -0.001 0.000 0.385 274 R C 0.103 176.468 176.300 0.108 0.000 1.158 274 R CA 1.378 57.538 56.100 0.101 0.000 1.117 274 R CB -1.412 28.945 30.300 0.094 0.000 1.635 274 R HN 0.502 nan 8.270 nan 0.000 0.560 275 K N 0.954 121.441 120.400 0.145 0.000 2.182 275 K HA 0.325 4.644 4.320 -0.001 0.000 0.262 275 K C 0.013 176.682 176.600 0.116 0.000 0.957 275 K CA -0.340 56.041 56.287 0.156 0.000 0.842 275 K CB 1.506 34.167 32.500 0.268 0.000 1.099 275 K HN -0.126 nan 8.250 nan 0.000 0.438 276 T N 3.155 117.762 114.554 0.088 0.000 2.930 276 T HA 0.205 4.554 4.350 -0.001 0.000 0.306 276 T C -0.060 174.677 174.700 0.062 0.000 1.045 276 T CA -0.006 62.126 62.100 0.053 0.000 1.134 276 T CB 0.202 69.092 68.868 0.036 0.000 0.961 276 T HN 0.264 nan 8.240 nan 0.000 0.545 277 L N 2.695 123.925 121.223 0.012 0.000 2.401 277 L HA 0.358 4.698 4.340 -0.001 0.000 0.266 277 L C 0.996 177.852 176.870 -0.025 0.000 0.991 277 L CA -0.861 53.975 54.840 -0.007 0.000 0.818 277 L CB 2.267 44.277 42.059 -0.082 0.000 1.321 277 L HN 0.505 nan 8.230 nan 0.000 0.413 278 Q N 0.887 120.676 119.800 -0.019 0.000 2.376 278 Q HA 0.127 4.467 4.340 -0.001 0.000 0.206 278 Q C -0.160 175.808 176.000 -0.053 0.000 0.921 278 Q CA 0.655 56.440 55.803 -0.030 0.000 0.911 278 Q CB 0.978 29.706 28.738 -0.017 0.000 1.032 278 Q HN 0.578 nan 8.270 nan 0.000 0.510 279 E N -0.814 119.351 120.200 -0.059 0.000 2.321 279 E HA 0.490 4.840 4.350 -0.001 0.000 0.281 279 E C -1.202 175.340 176.600 -0.097 0.000 0.910 279 E CA -0.417 55.935 56.400 -0.080 0.000 0.770 279 E CB 1.545 31.209 29.700 -0.059 0.000 1.225 279 E HN 0.111 nan 8.360 nan 0.000 0.417 280 G N 4.336 113.067 108.800 -0.115 0.000 2.356 280 G HA2 0.611 4.571 3.960 -0.001 0.000 0.322 280 G HA3 0.611 4.571 3.960 -0.001 0.000 0.322 280 G C -0.180 174.684 174.900 -0.059 0.000 1.125 280 G CA -0.630 44.403 45.100 -0.111 0.000 0.885 280 G HN 0.551 nan 8.290 nan 0.000 0.467 281 I N -0.450 120.093 120.570 -0.045 0.000 2.957 281 I HA 0.836 5.006 4.170 -0.001 0.000 0.310 281 I C 0.573 176.711 176.117 0.035 0.000 1.063 281 I CA -1.578 59.726 61.300 0.007 0.000 1.033 281 I CB 2.118 40.116 38.000 -0.003 0.000 1.230 281 I HN 0.605 nan 8.210 nan 0.000 0.447 282 A N 2.403 125.261 122.820 0.063 0.000 2.591 282 A HA 0.380 4.700 4.320 -0.001 0.000 0.244 282 A C 1.330 178.954 177.584 0.066 0.000 1.031 282 A CA 1.076 53.152 52.037 0.064 0.000 0.767 282 A CB -1.192 17.841 19.000 0.055 0.000 0.942 282 A HN 1.951 nan 8.150 nan 0.000 0.514 283 G N 2.211 111.059 108.800 0.081 0.000 2.313 283 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.215 283 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.215 283 G C 0.016 175.026 174.900 0.182 0.000 1.023 283 G CA 0.236 45.420 45.100 0.141 0.000 0.626 283 G HN 0.832 nan 8.290 nan 0.000 0.503 284 D N 1.139 121.552 120.400 0.022 0.000 2.399 284 D HA 0.333 4.973 4.640 -0.001 0.000 0.241 284 D C 0.082 176.352 176.300 -0.051 0.000 1.133 284 D CA 0.097 53.999 54.000 -0.163 0.000 0.890 284 D CB 0.573 41.222 40.800 -0.252 0.000 1.201 284 D HN 0.242 nan 8.370 nan 0.000 0.432 285 N N 1.504 120.157 118.700 -0.078 0.000 2.501 285 N HA 0.281 5.020 4.740 -0.001 0.000 0.245 285 N C -0.978 174.445 175.510 -0.145 0.000 0.974 285 N CA -0.345 52.700 53.050 -0.010 0.000 0.941 285 N CB 0.854 39.420 38.487 0.132 0.000 1.122 285 N HN 0.213 nan 8.380 nan 0.000 0.507 286 V N 0.184 120.028 119.914 -0.117 0.000 3.155 286 V HA 0.923 5.042 4.120 -0.001 0.000 0.313 286 V C 0.301 176.328 176.094 -0.112 0.000 1.162 286 V CA -0.978 61.239 62.300 -0.139 0.000 1.048 286 V CB 1.491 33.244 31.823 -0.117 0.000 1.092 286 V HN 0.428 nan 8.190 nan 0.000 0.447 287 G N 0.333 109.074 108.800 -0.098 0.000 2.422 287 G HA2 0.609 4.568 3.960 -0.001 0.000 0.317 287 G HA3 0.609 4.568 3.960 -0.001 0.000 0.317 287 G C -1.121 173.728 174.900 -0.085 0.000 1.210 287 G CA -0.578 44.471 45.100 -0.086 0.000 0.930 287 G HN 0.985 nan 8.290 nan 0.000 0.468 288 V N 4.120 123.975 119.914 -0.099 0.000 2.357 288 V HA 0.325 4.445 4.120 -0.001 0.000 0.284 288 V C 0.330 176.366 176.094 -0.096 0.000 1.018 288 V CA -0.818 61.434 62.300 -0.080 0.000 0.841 288 V CB 1.536 33.334 31.823 -0.042 0.000 0.991 288 V HN 0.647 nan 8.190 nan 0.000 0.437 289 L N 6.315 127.491 121.223 -0.077 0.000 2.313 289 L HA 0.462 4.802 4.340 -0.001 0.000 0.282 289 L C -0.716 176.117 176.870 -0.062 0.000 1.092 289 L CA -0.178 54.621 54.840 -0.069 0.000 0.831 289 L CB 0.914 42.946 42.059 -0.045 0.000 1.159 289 L HN 0.537 nan 8.230 nan 0.000 0.442 290 L N 5.628 126.813 121.223 -0.063 0.000 2.322 290 L HA 0.508 4.848 4.340 -0.001 0.000 0.281 290 L C 0.197 177.043 176.870 -0.039 0.000 1.014 290 L CA -0.570 54.240 54.840 -0.050 0.000 0.815 290 L CB 1.703 43.731 42.059 -0.051 0.000 1.247 290 L HN 0.586 nan 8.230 nan 0.000 0.421 291 R N 1.980 122.461 120.500 -0.033 0.000 2.441 291 R HA 0.330 4.669 4.340 -0.001 0.000 0.284 291 R C 0.869 177.155 176.300 -0.023 0.000 1.070 291 R CA 0.771 56.855 56.100 -0.026 0.000 1.047 291 R CB 0.971 31.256 30.300 -0.025 0.000 1.016 291 R HN 0.883 nan 8.270 nan 0.000 0.477 292 G N 2.269 111.057 108.800 -0.019 0.000 2.166 292 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.260 292 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.260 292 G C -0.160 174.730 174.900 -0.017 0.000 0.986 292 G CA 0.596 45.686 45.100 -0.016 0.000 0.683 292 G HN 0.727 nan 8.290 nan 0.000 0.527 293 V N -1.963 117.939 119.914 -0.020 0.000 2.823 293 V HA 0.953 5.072 4.120 -0.001 0.000 0.312 293 V C 0.317 176.399 176.094 -0.021 0.000 1.072 293 V CA -0.147 62.140 62.300 -0.021 0.000 0.937 293 V CB 1.718 33.526 31.823 -0.026 0.000 1.013 293 V HN 1.273 nan 8.190 nan 0.000 0.430 294 S N 3.203 118.893 115.700 -0.017 0.000 2.730 294 S HA 0.473 4.942 4.470 -0.001 0.000 0.284 294 S C 0.877 175.467 174.600 -0.017 0.000 1.153 294 S CA -0.276 57.916 58.200 -0.012 0.000 0.995 294 S CB 1.361 64.558 63.200 -0.005 0.000 1.058 294 S HN 1.117 nan 8.310 nan 0.000 0.552 295 R N -0.075 120.419 120.500 -0.010 0.000 2.357 295 R HA 0.100 4.440 4.340 -0.001 0.000 0.202 295 R C 0.706 177.003 176.300 -0.005 0.000 1.047 295 R CA 1.152 57.245 56.100 -0.012 0.000 1.034 295 R CB -0.512 29.794 30.300 0.009 0.000 0.875 295 R HN 0.756 nan 8.270 nan 0.000 0.473 296 E N 0.786 120.984 120.200 -0.004 0.000 2.481 296 E HA 0.009 4.359 4.350 -0.001 0.000 0.198 296 E C 0.593 177.189 176.600 -0.007 0.000 1.027 296 E CA 0.124 56.523 56.400 -0.002 0.000 0.900 296 E CB 0.504 30.205 29.700 0.002 0.000 0.993 296 E HN 0.559 nan 8.360 nan 0.000 0.482 297 E N 0.462 120.655 120.200 -0.012 0.000 2.476 297 E HA 0.082 4.432 4.350 -0.001 0.000 0.199 297 E C -0.077 176.512 176.600 -0.020 0.000 1.021 297 E CA 0.097 56.488 56.400 -0.015 0.000 0.907 297 E CB 1.241 30.931 29.700 -0.016 0.000 0.974 297 E HN -0.079 nan 8.360 nan 0.000 0.489 298 V N 1.711 121.610 119.914 -0.024 0.000 2.876 298 V HA 0.387 4.507 4.120 -0.001 0.000 0.312 298 V C -0.440 175.639 176.094 -0.026 0.000 1.085 298 V CA -0.920 61.362 62.300 -0.030 0.000 0.945 298 V CB 1.999 33.794 31.823 -0.047 0.000 1.017 298 V HN 0.166 nan 8.190 nan 0.000 0.428 299 E N 2.157 122.344 120.200 -0.021 0.000 2.430 299 E HA 0.530 4.880 4.350 -0.001 0.000 0.279 299 E C -0.829 175.769 176.600 -0.003 0.000 1.003 299 E CA -1.241 55.154 56.400 -0.009 0.000 0.801 299 E CB 1.995 31.695 29.700 0.000 0.000 1.313 299 E HN 0.527 nan 8.360 nan 0.000 0.459 300 R N 0.080 120.587 120.500 0.012 0.000 2.537 300 R HA 0.254 4.593 4.340 -0.001 0.000 0.281 300 R C 0.824 177.140 176.300 0.028 0.000 0.988 300 R CA 2.025 58.140 56.100 0.025 0.000 1.077 300 R CB -0.208 30.120 30.300 0.047 0.000 0.932 300 R HN 0.900 nan 8.270 nan 0.000 0.409 301 G N 2.227 111.045 108.800 0.030 0.000 2.278 301 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.210 301 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.210 301 G C -0.023 174.886 174.900 0.015 0.000 1.000 301 G CA -0.046 45.076 45.100 0.036 0.000 0.635 301 G HN 0.605 nan 8.290 nan 0.000 0.495 302 Q N 0.112 119.911 119.800 -0.003 0.000 2.316 302 Q HA 0.601 4.941 4.340 -0.001 0.000 0.215 302 Q C 0.316 176.296 176.000 -0.032 0.000 1.020 302 Q CA 0.105 55.895 55.803 -0.022 0.000 0.970 302 Q CB 2.121 30.844 28.738 -0.024 0.000 1.187 302 Q HN 0.947 nan 8.270 nan 0.000 0.546 303 V N -1.867 118.016 119.914 -0.051 0.000 2.962 303 V HA 0.600 4.719 4.120 -0.001 0.000 0.313 303 V C -0.906 175.143 176.094 -0.075 0.000 1.099 303 V CA -1.086 61.168 62.300 -0.077 0.000 0.971 303 V CB 1.471 33.232 31.823 -0.105 0.000 1.028 303 V HN 0.579 nan 8.190 nan 0.000 0.430 304 L N 3.275 124.441 121.223 -0.095 0.000 2.307 304 L HA 0.955 5.294 4.340 -0.001 0.000 0.282 304 L C 0.302 177.088 176.870 -0.140 0.000 1.051 304 L CA -0.283 54.548 54.840 -0.014 0.000 0.804 304 L CB 1.534 43.682 42.059 0.148 0.000 1.197 304 L HN 1.107 nan 8.230 nan 0.000 0.431 305 A N 2.810 125.634 122.820 0.006 0.000 2.606 305 A HA 0.425 4.745 4.320 -0.001 0.000 0.293 305 A C -1.063 176.619 177.584 0.163 0.000 1.082 305 A CA -0.780 51.244 52.037 -0.021 0.000 0.685 305 A CB 1.597 20.547 19.000 -0.084 0.000 1.284 305 A HN 0.648 nan 8.150 nan 0.000 0.408 306 K N 1.011 121.521 120.400 0.183 0.000 2.484 306 K HA 0.230 4.549 4.320 -0.001 0.000 0.280 306 K C -2.369 174.269 176.600 0.064 0.000 1.013 306 K CA -1.028 55.347 56.287 0.147 0.000 1.029 306 K CB 0.125 32.697 32.500 0.119 0.000 0.902 306 K HN 0.300 nan 8.250 nan 0.000 0.481 307 P HA -0.052 nan 4.420 nan 0.000 0.262 307 P C 0.197 177.501 177.300 0.007 0.000 1.182 307 P CA 1.036 64.147 63.100 0.018 0.000 0.761 307 P CB 0.562 32.268 31.700 0.011 0.000 0.795 308 G N 2.741 111.538 108.800 -0.006 0.000 2.184 308 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.264 308 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.264 308 G C 1.115 176.007 174.900 -0.013 0.000 0.975 308 G CA 0.633 45.726 45.100 -0.012 0.000 0.642 308 G HN 0.594 nan 8.290 nan 0.000 0.536 309 S N -0.939 114.755 115.700 -0.012 0.000 2.501 309 S HA 0.535 5.004 4.470 -0.001 0.000 0.220 309 S C 0.863 175.443 174.600 -0.033 0.000 0.997 309 S CA 0.609 58.800 58.200 -0.015 0.000 0.919 309 S CB 0.421 63.618 63.200 -0.005 0.000 0.778 309 S HN 0.591 nan 8.310 nan 0.000 0.523 310 I N 1.196 121.736 120.570 -0.051 0.000 2.647 310 I HA 0.377 4.546 4.170 -0.001 0.000 0.295 310 I C -1.074 174.974 176.117 -0.114 0.000 1.078 310 I CA -0.603 60.648 61.300 -0.082 0.000 1.048 310 I CB 2.590 40.532 38.000 -0.096 0.000 1.239 310 I HN -0.076 nan 8.210 nan 0.000 0.421 311 T N 5.658 120.106 114.554 -0.178 0.000 2.864 311 T HA 0.364 4.714 4.350 -0.001 0.000 0.299 311 T C -2.567 171.802 174.700 -0.550 0.000 1.011 311 T CA -1.199 60.734 62.100 -0.278 0.000 0.975 311 T CB 1.497 70.235 68.868 -0.216 0.000 0.962 311 T HN 0.342 nan 8.240 nan 0.000 0.448 312 P HA 0.225 nan 4.420 nan 0.000 0.271 312 P C -0.774 176.205 177.300 -0.536 0.000 1.216 312 P CA -0.225 62.638 63.100 -0.396 0.000 0.776 312 P CB 0.813 32.389 31.700 -0.207 0.000 0.881 313 H N 0.779 119.787 119.070 -0.104 0.000 2.797 313 H HA 0.394 4.950 4.556 -0.001 0.000 0.362 313 H C 0.954 176.240 175.328 -0.071 0.000 1.183 313 H CA -0.360 55.639 56.048 -0.082 0.000 1.197 313 H CB 1.992 31.699 29.762 -0.091 0.000 1.835 313 H HN 0.412 nan 8.280 nan 0.000 0.567 314 T N -2.669 111.958 114.554 0.122 0.000 2.993 314 T HA 0.221 4.570 4.350 -0.001 0.000 0.260 314 T C 0.462 175.199 174.700 0.062 0.000 0.939 314 T CA -0.229 61.906 62.100 0.058 0.000 0.886 314 T CB 1.044 69.923 68.868 0.019 0.000 1.209 314 T HN 0.312 nan 8.240 nan 0.000 0.518 315 K N 0.797 121.249 120.400 0.086 0.000 2.443 315 K HA 0.634 4.953 4.320 -0.001 0.000 0.252 315 K C -1.752 174.914 176.600 0.110 0.000 0.933 315 K CA -1.123 55.171 56.287 0.011 0.000 0.792 315 K CB 1.597 34.079 32.500 -0.031 0.000 1.185 315 K HN 0.301 nan 8.250 nan 0.000 0.425 316 F N -0.432 119.462 119.950 -0.094 0.000 2.686 316 F HA 0.492 5.019 4.527 -0.001 0.000 0.311 316 F C -1.160 174.633 175.800 -0.011 0.000 1.128 316 F CA -1.109 56.845 58.000 -0.077 0.000 0.946 316 F CB 1.191 40.124 39.000 -0.111 0.000 1.336 316 F HN 0.405 nan 8.300 nan 0.000 0.457 317 E N 1.061 121.388 120.200 0.211 0.000 2.191 317 E HA 0.774 5.123 4.350 -0.001 0.000 0.274 317 E C -1.387 175.387 176.600 0.290 0.000 0.948 317 E CA -1.067 55.418 56.400 0.142 0.000 0.802 317 E CB 1.841 31.602 29.700 0.101 0.000 1.137 317 E HN 1.011 nan 8.360 nan 0.000 0.397 318 A N 2.570 125.513 122.820 0.205 0.000 2.539 318 A HA 0.480 4.800 4.320 -0.001 0.000 0.296 318 A C -1.079 176.525 177.584 0.033 0.000 1.073 318 A CA -0.647 51.556 52.037 0.277 0.000 0.700 318 A CB 2.086 21.473 19.000 0.645 0.000 1.296 318 A HN 0.440 nan 8.150 nan 0.000 0.405 319 S N 0.441 116.178 115.700 0.061 0.000 2.457 319 S HA 0.651 5.121 4.470 -0.001 0.000 0.289 319 S C -0.740 173.827 174.600 -0.055 0.000 1.163 319 S CA -0.316 57.870 58.200 -0.023 0.000 1.078 319 S CB 0.264 63.471 63.200 0.011 0.000 0.987 319 S HN 0.981 nan 8.310 nan 0.000 0.482 320 V N 5.427 125.281 119.914 -0.100 0.000 2.841 320 V HA 0.437 4.556 4.120 -0.001 0.000 0.310 320 V C -1.215 174.925 176.094 0.076 0.000 1.090 320 V CA -0.926 61.348 62.300 -0.043 0.000 0.930 320 V CB 1.776 33.548 31.823 -0.084 0.000 1.014 320 V HN 0.869 nan 8.190 nan 0.000 0.425 321 Y N 3.759 124.059 120.300 -0.001 0.000 2.330 321 Y HA 0.712 5.261 4.550 -0.001 0.000 0.336 321 Y C -0.483 175.471 175.900 0.090 0.000 1.036 321 Y CA -0.805 57.315 58.100 0.034 0.000 1.125 321 Y CB 1.739 40.208 38.460 0.015 0.000 1.194 321 Y HN 0.395 nan 8.280 nan 0.000 0.469 322 V N 7.909 127.433 119.914 -0.650 0.000 2.370 322 V HA 0.219 4.338 4.120 -0.001 0.000 0.279 322 V C -0.279 175.348 176.094 -0.778 0.000 1.029 322 V CA -0.934 61.114 62.300 -0.420 0.000 0.870 322 V CB 0.851 32.597 31.823 -0.128 0.000 0.984 322 V HN 0.616 nan 8.190 nan 0.000 0.451 323 L N 5.444 126.435 121.223 -0.387 0.000 2.514 323 L HA 0.149 4.489 4.340 -0.001 0.000 0.280 323 L C 0.779 177.610 176.870 -0.065 0.000 1.223 323 L CA 0.803 55.562 54.840 -0.134 0.000 0.864 323 L CB -0.080 42.030 42.059 0.085 0.000 1.118 323 L HN 0.560 nan 8.230 nan 0.000 0.494 324 K N 2.289 122.714 120.400 0.042 0.000 2.126 324 K HA 0.103 4.422 4.320 -0.001 0.000 0.257 324 K C 1.005 177.652 176.600 0.079 0.000 1.007 324 K CA -0.609 55.708 56.287 0.050 0.000 0.928 324 K CB 0.848 33.398 32.500 0.083 0.000 1.013 324 K HN 0.446 nan 8.250 nan 0.000 0.473 325 K N 1.708 122.154 120.400 0.076 0.000 2.074 325 K HA -0.260 4.059 4.320 -0.001 0.000 0.209 325 K C 1.018 177.671 176.600 0.088 0.000 1.048 325 K CA 2.050 58.404 56.287 0.111 0.000 0.926 325 K CB 0.096 32.631 32.500 0.059 0.000 0.713 325 K HN 0.463 nan 8.250 nan 0.000 0.444 326 E N 0.720 120.958 120.200 0.063 0.000 2.267 326 E HA -0.158 4.191 4.350 -0.001 0.000 0.197 326 E C 0.667 177.321 176.600 0.089 0.000 0.998 326 E CA 1.317 57.753 56.400 0.060 0.000 0.830 326 E CB 0.036 29.765 29.700 0.048 0.000 0.751 326 E HN 0.503 nan 8.360 nan 0.000 0.491 327 E N -0.674 119.599 120.200 0.121 0.000 2.437 327 E HA 0.250 4.600 4.350 -0.001 0.000 0.195 327 E C 0.599 177.276 176.600 0.128 0.000 1.029 327 E CA 0.223 56.719 56.400 0.160 0.000 0.948 327 E CB 0.556 30.402 29.700 0.243 0.000 1.082 327 E HN 0.280 nan 8.360 nan 0.000 0.456 328 G N 1.024 109.886 108.800 0.104 0.000 2.159 328 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.256 328 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.256 328 G C 0.578 175.529 174.900 0.084 0.000 0.977 328 G CA -0.191 44.962 45.100 0.087 0.000 0.652 328 G HN 0.516 nan 8.290 nan 0.000 0.531 329 G N -0.712 108.147 108.800 0.098 0.000 2.508 329 G HA2 0.583 4.542 3.960 -0.001 0.000 0.278 329 G HA3 0.583 4.542 3.960 -0.001 0.000 0.278 329 G C 0.375 175.323 174.900 0.080 0.000 1.389 329 G CA -0.624 44.522 45.100 0.077 0.000 1.050 329 G HN 0.516 nan 8.290 nan 0.000 0.522 330 R N -1.328 119.202 120.500 0.049 0.000 2.641 330 R HA 0.223 4.562 4.340 -0.001 0.000 0.269 330 R C 1.102 177.472 176.300 0.116 0.000 1.074 330 R CA -0.012 56.092 56.100 0.006 0.000 1.133 330 R CB 0.521 30.824 30.300 0.005 0.000 1.029 330 R HN 0.738 nan 8.270 nan 0.000 0.488 331 H N -0.743 118.326 119.070 -0.003 0.000 2.431 331 H HA 0.001 4.557 4.556 0.001 0.000 0.295 331 H C 0.651 175.960 175.328 -0.031 0.000 1.038 331 H CA 0.690 56.732 56.048 -0.010 0.000 1.360 331 H CB 0.521 30.283 29.762 -0.001 0.000 1.433 331 H HN 0.579 nan 8.280 nan 0.000 0.536 332 T N -1.034 113.560 114.554 0.067 0.000 2.940 332 T HA 0.552 4.901 4.350 -0.001 0.000 0.288 332 T C 0.741 175.369 174.700 -0.121 0.000 1.045 332 T CA -0.630 61.457 62.100 -0.021 0.000 1.018 332 T CB 2.104 70.968 68.868 -0.008 0.000 1.151 332 T HN 0.218 nan 8.240 nan 0.000 0.529 333 G N 0.011 108.674 108.800 -0.229 0.000 2.616 333 G HA2 0.566 4.525 3.960 -0.001 0.000 0.268 333 G HA3 0.566 4.525 3.960 -0.001 0.000 0.268 333 G C -0.745 173.796 174.900 -0.598 0.000 1.213 333 G CA -0.956 43.879 45.100 -0.442 0.000 0.926 333 G HN 0.835 nan 8.290 nan 0.000 0.523 334 F N -2.035 117.457 119.950 -0.764 0.000 2.618 334 F HA 0.867 5.393 4.527 -0.001 0.000 0.332 334 F C -1.115 174.102 175.800 -0.971 0.000 1.061 334 F CA -2.216 55.220 58.000 -0.939 0.000 0.974 334 F CB 1.234 39.538 39.000 -1.160 0.000 1.310 334 F HN 0.306 nan 8.300 nan 0.000 0.491 335 F N -0.570 119.470 119.950 0.150 0.000 2.631 335 F HA 0.590 5.117 4.527 -0.001 0.000 0.350 335 F C 0.575 176.469 175.800 0.156 0.000 1.080 335 F CA -1.451 56.605 58.000 0.093 0.000 1.026 335 F CB 1.137 40.161 39.000 0.041 0.000 1.347 335 F HN 0.590 nan 8.300 nan 0.000 0.501 336 S N -0.082 115.794 115.700 0.293 0.000 2.537 336 S HA 0.404 4.873 4.470 -0.001 0.000 0.286 336 S C 0.800 175.496 174.600 0.160 0.000 1.299 336 S CA 0.911 59.205 58.200 0.158 0.000 1.067 336 S CB -0.179 63.084 63.200 0.104 0.000 0.864 336 S HN 1.182 nan 8.310 nan 0.000 0.494 337 G N 3.332 112.199 108.800 0.112 0.000 2.218 337 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.216 337 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.216 337 G C -0.013 174.965 174.900 0.130 0.000 0.994 337 G CA 0.013 45.171 45.100 0.097 0.000 0.637 337 G HN 0.864 nan 8.290 nan 0.000 0.505 338 Y N 2.600 122.901 120.300 0.002 0.000 2.811 338 Y HA 0.433 4.983 4.550 -0.001 0.000 0.334 338 Y C 0.948 176.786 175.900 -0.103 0.000 1.247 338 Y CA 0.192 58.244 58.100 -0.079 0.000 1.526 338 Y CB 0.355 38.664 38.460 -0.252 0.000 1.284 338 Y HN 0.236 nan 8.280 nan 0.000 0.586 339 R N 7.553 127.828 120.500 -0.376 0.000 2.564 339 R HA 0.285 4.625 4.340 -0.001 0.000 0.282 339 R C -2.495 173.529 176.300 -0.460 0.000 1.573 339 R CA -1.610 54.303 56.100 -0.312 0.000 1.588 339 R CB 0.592 30.809 30.300 -0.139 0.000 1.154 339 R HN 0.507 nan 8.270 nan 0.000 0.606 340 P HA 0.161 nan 4.420 nan 0.000 0.297 340 P C -0.781 176.340 177.300 -0.300 0.000 1.307 340 P CA -0.582 62.172 63.100 -0.577 0.000 0.773 340 P CB 0.944 32.156 31.700 -0.813 0.000 1.265 341 Q N -0.327 119.300 119.800 -0.290 0.000 2.230 341 Q HA 0.451 4.790 4.340 -0.001 0.000 0.253 341 Q C -0.802 174.943 176.000 -0.424 0.000 0.919 341 Q CA -0.161 55.503 55.803 -0.231 0.000 0.908 341 Q CB 0.669 29.301 28.738 -0.176 0.000 1.245 341 Q HN 0.364 nan 8.270 nan 0.000 0.437 342 F N 1.610 121.341 119.950 -0.366 0.000 2.469 342 F HA 0.365 4.892 4.527 -0.000 0.000 0.332 342 F C -0.545 174.774 175.800 -0.801 0.000 1.103 342 F CA -0.734 57.008 58.000 -0.431 0.000 0.979 342 F CB 1.076 39.815 39.000 -0.435 0.000 1.137 342 F HN 0.328 nan 8.300 nan 0.000 0.463 343 Y N 3.102 123.186 120.300 -0.360 0.000 2.328 343 Y HA 0.541 5.090 4.550 -0.001 0.000 0.333 343 Y C -1.081 174.584 175.900 -0.392 0.000 0.958 343 Y CA -1.166 56.767 58.100 -0.277 0.000 1.167 343 Y CB 0.944 39.342 38.460 -0.104 0.000 1.151 343 Y HN 0.322 nan 8.280 nan 0.000 0.470 344 F N 2.919 122.992 119.950 0.205 0.000 2.460 344 F HA 0.603 5.130 4.527 -0.000 0.000 0.341 344 F C 0.705 176.571 175.800 0.111 0.000 1.130 344 F CA -1.433 56.658 58.000 0.152 0.000 0.962 344 F CB 1.430 40.456 39.000 0.043 0.000 1.171 344 F HN 0.523 nan 8.300 nan 0.000 0.436 345 R N 0.096 120.744 120.500 0.246 0.000 3.812 345 R HA -0.277 4.062 4.340 -0.001 0.000 0.448 345 R C 1.362 177.751 176.300 0.149 0.000 0.241 345 R CA 2.333 58.529 56.100 0.160 0.000 1.418 345 R CB -1.574 28.801 30.300 0.125 0.000 0.951 345 R HN 0.769 nan 8.270 nan 0.000 0.584 346 T N -1.226 113.403 114.554 0.125 0.000 3.105 346 T HA 0.184 4.533 4.350 -0.001 0.000 0.253 346 T C 0.331 175.104 174.700 0.122 0.000 1.047 346 T CA 0.239 62.408 62.100 0.116 0.000 0.944 346 T CB 0.219 69.136 68.868 0.082 0.000 1.016 346 T HN 0.363 nan 8.240 nan 0.000 0.544 347 T N 3.062 117.702 114.554 0.144 0.000 2.882 347 T HA 0.491 4.840 4.350 -0.001 0.000 0.287 347 T C -0.882 173.846 174.700 0.048 0.000 0.992 347 T CA -0.546 61.628 62.100 0.123 0.000 1.076 347 T CB 1.427 70.406 68.868 0.186 0.000 0.961 347 T HN 0.439 nan 8.240 nan 0.000 0.490 348 D N 1.649 122.018 120.400 -0.052 0.000 2.620 348 D HA 0.500 5.140 4.640 -0.001 0.000 0.252 348 D C -1.300 174.887 176.300 -0.190 0.000 1.207 348 D CA -0.612 53.190 54.000 -0.330 0.000 0.884 348 D CB 1.275 41.938 40.800 -0.229 0.000 1.262 348 D HN 0.367 nan 8.370 nan 0.000 0.552 349 V N 2.972 122.776 119.914 -0.183 0.000 3.012 349 V HA 0.569 4.689 4.120 -0.001 0.000 0.307 349 V C -0.555 175.553 176.094 0.023 0.000 1.166 349 V CA -0.448 61.834 62.300 -0.029 0.000 0.974 349 V CB 2.295 34.164 31.823 0.077 0.000 1.040 349 V HN 0.698 nan 8.190 nan 0.000 0.428 350 T N 4.682 119.248 114.554 0.020 0.000 2.907 350 T HA 0.644 4.994 4.350 -0.001 0.000 0.298 350 T C 0.166 174.920 174.700 0.090 0.000 1.017 350 T CA 0.509 62.639 62.100 0.049 0.000 1.118 350 T CB 1.024 69.889 68.868 -0.005 0.000 0.948 350 T HN 1.205 nan 8.240 nan 0.000 0.531 351 G N 0.684 109.589 108.800 0.175 0.000 2.659 351 G HA2 0.583 4.543 3.960 -0.001 0.000 0.296 351 G HA3 0.583 4.543 3.960 -0.001 0.000 0.296 351 G C -1.390 173.536 174.900 0.044 0.000 1.369 351 G CA -0.616 44.491 45.100 0.013 0.000 0.937 351 G HN 0.668 nan 8.290 nan 0.000 0.485 352 V N 1.078 120.951 119.914 -0.068 0.000 2.370 352 V HA 0.367 4.486 4.120 -0.001 0.000 0.283 352 V C 0.217 176.266 176.094 -0.075 0.000 1.023 352 V CA -0.752 61.516 62.300 -0.054 0.000 0.857 352 V CB 1.396 33.186 31.823 -0.054 0.000 0.985 352 V HN 0.529 nan 8.190 nan 0.000 0.443 353 V N 5.756 125.634 119.914 -0.059 0.000 2.488 353 V HA 0.250 4.370 4.120 -0.001 0.000 0.277 353 V C 0.128 176.154 176.094 -0.114 0.000 1.046 353 V CA -0.150 62.055 62.300 -0.158 0.000 0.986 353 V CB 1.076 32.723 31.823 -0.293 0.000 0.989 353 V HN 0.954 nan 8.190 nan 0.000 0.475 354 Q N 5.345 125.086 119.800 -0.099 0.000 2.381 354 Q HA 0.528 4.868 4.340 -0.001 0.000 0.263 354 Q C -0.994 175.018 176.000 0.020 0.000 1.030 354 Q CA -0.359 55.429 55.803 -0.025 0.000 0.772 354 Q CB 2.002 30.731 28.738 -0.015 0.000 1.232 354 Q HN 0.637 nan 8.270 nan 0.000 0.476 355 L N 4.385 125.624 121.223 0.027 0.000 2.395 355 L HA 0.448 4.788 4.340 -0.001 0.000 0.269 355 L C -1.710 175.212 176.870 0.087 0.000 1.133 355 L CA -1.818 53.072 54.840 0.083 0.000 0.812 355 L CB 0.215 42.316 42.059 0.070 0.000 1.125 355 L HN 0.366 nan 8.230 nan 0.000 0.452 356 P HA 0.214 nan 4.420 nan 0.000 0.276 356 P C -2.656 174.680 177.300 0.061 0.000 1.244 356 P CA -1.564 61.582 63.100 0.077 0.000 0.801 356 P CB 0.090 31.841 31.700 0.085 0.000 1.006 357 P HA -0.021 nan 4.420 nan 0.000 0.266 357 P C 0.890 178.212 177.300 0.037 0.000 1.195 357 P CA 1.058 64.180 63.100 0.037 0.000 0.768 357 P CB 0.054 31.771 31.700 0.028 0.000 0.838 358 G N 1.210 110.030 108.800 0.034 0.000 2.234 358 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.235 358 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.235 358 G C -0.189 174.731 174.900 0.034 0.000 0.997 358 G CA -0.014 45.104 45.100 0.031 0.000 0.623 358 G HN 0.572 nan 8.290 nan 0.000 0.514 359 V N 1.810 121.751 119.914 0.044 0.000 2.326 359 V HA 0.538 4.658 4.120 -0.001 0.000 0.281 359 V C 0.362 176.488 176.094 0.052 0.000 1.015 359 V CA -0.438 61.888 62.300 0.044 0.000 0.823 359 V CB 1.494 33.354 31.823 0.062 0.000 1.009 359 V HN 0.286 nan 8.190 nan 0.000 0.436 360 E N 4.022 124.255 120.200 0.055 0.000 2.526 360 E HA 0.313 4.663 4.350 -0.001 0.000 0.208 360 E C -0.013 176.686 176.600 0.164 0.000 0.997 360 E CA 0.152 56.613 56.400 0.102 0.000 0.961 360 E CB 1.625 31.380 29.700 0.091 0.000 1.030 360 E HN 0.697 nan 8.360 nan 0.000 0.483 361 M N 0.439 120.053 119.600 0.024 0.000 2.471 361 M HA 0.323 4.802 4.480 -0.001 0.000 0.284 361 M C -2.098 174.010 176.300 -0.321 0.000 1.203 361 M CA -0.616 54.585 55.300 -0.166 0.000 0.915 361 M CB 2.348 34.887 32.600 -0.102 0.000 1.734 361 M HN -0.271 nan 8.290 nan 0.000 0.485 362 V N 4.575 124.100 119.914 -0.648 0.000 2.588 362 V HA 0.592 4.711 4.120 -0.001 0.000 0.304 362 V C -0.428 175.236 176.094 -0.717 0.000 1.042 362 V CA -0.735 61.150 62.300 -0.693 0.000 0.877 362 V CB 1.930 33.136 31.823 -1.030 0.000 0.996 362 V HN 0.843 nan 8.190 nan 0.000 0.425 363 M N 4.635 123.988 119.600 -0.412 0.000 2.528 363 M HA 0.537 5.016 4.480 -0.001 0.000 0.318 363 M C -2.707 173.453 176.300 -0.233 0.000 1.195 363 M CA -2.697 52.424 55.300 -0.299 0.000 1.000 363 M CB 1.286 33.777 32.600 -0.182 0.000 1.615 363 M HN 0.241 nan 8.290 nan 0.000 0.469 364 P HA 0.207 nan 4.420 nan 0.000 0.268 364 P C 0.723 177.949 177.300 -0.124 0.000 1.204 364 P CA 0.966 63.991 63.100 -0.124 0.000 0.768 364 P CB 0.490 32.157 31.700 -0.055 0.000 0.842 365 G N 1.616 110.295 108.800 -0.201 0.000 2.195 365 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.246 365 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.246 365 G C 0.112 174.964 174.900 -0.081 0.000 0.984 365 G CA -0.259 44.770 45.100 -0.118 0.000 0.633 365 G HN 0.484 nan 8.290 nan 0.000 0.525 366 D N 0.628 120.947 120.400 -0.135 0.000 2.344 366 D HA 0.422 5.062 4.640 -0.001 0.000 0.244 366 D C 0.164 176.456 176.300 -0.014 0.000 1.134 366 D CA -0.031 53.932 54.000 -0.062 0.000 0.930 366 D CB 0.448 41.193 40.800 -0.092 0.000 1.175 366 D HN 0.132 nan 8.370 nan 0.000 0.437 367 N N 0.808 119.543 118.700 0.058 0.000 2.524 367 N HA 0.313 5.052 4.740 -0.001 0.000 0.261 367 N C -0.979 174.568 175.510 0.060 0.000 0.998 367 N CA -0.301 52.810 53.050 0.102 0.000 0.915 367 N CB 1.395 39.957 38.487 0.124 0.000 1.187 367 N HN 0.171 nan 8.380 nan 0.000 0.507 368 V N -0.350 119.596 119.914 0.054 0.000 3.158 368 V HA 0.736 4.855 4.120 -0.001 0.000 0.311 368 V C 0.074 176.151 176.094 -0.028 0.000 1.181 368 V CA -0.613 61.721 62.300 0.056 0.000 1.054 368 V CB 1.935 33.852 31.823 0.157 0.000 1.085 368 V HN 0.329 nan 8.190 nan 0.000 0.446 369 T N 2.858 117.416 114.554 0.007 0.000 2.848 369 T HA 0.888 5.238 4.350 -0.001 0.000 0.285 369 T C -0.987 173.757 174.700 0.074 0.000 0.995 369 T CA -0.101 61.969 62.100 -0.051 0.000 0.970 369 T CB 1.101 69.981 68.868 0.019 0.000 0.976 369 T HN 1.092 nan 8.240 nan 0.000 0.441 370 F N -0.956 119.074 119.950 0.135 0.000 2.831 370 F HA 0.772 5.298 4.527 -0.001 0.000 0.318 370 F C -0.714 175.115 175.800 0.049 0.000 1.174 370 F CA -1.285 56.776 58.000 0.102 0.000 0.918 370 F CB 0.491 39.576 39.000 0.141 0.000 1.364 370 F HN 0.296 nan 8.300 nan 0.000 0.475 371 T N 1.486 116.276 114.554 0.393 0.000 2.867 371 T HA 0.704 5.053 4.350 -0.001 0.000 0.282 371 T C -0.999 173.713 174.700 0.021 0.000 1.000 371 T CA -0.501 61.668 62.100 0.115 0.000 1.042 371 T CB 1.675 70.557 68.868 0.024 0.000 0.973 371 T HN 0.570 nan 8.240 nan 0.000 0.465 372 V N 2.689 122.378 119.914 -0.375 0.000 2.588 372 V HA 0.497 4.617 4.120 -0.001 0.000 0.304 372 V C -0.278 175.450 176.094 -0.610 0.000 1.042 372 V CA -0.823 61.120 62.300 -0.595 0.000 0.877 372 V CB 1.879 32.976 31.823 -1.210 0.000 0.996 372 V HN 0.891 nan 8.190 nan 0.000 0.425 373 E N 4.209 124.190 120.200 -0.366 0.000 2.185 373 E HA 0.577 4.927 4.350 -0.001 0.000 0.261 373 E C -1.293 175.190 176.600 -0.195 0.000 0.879 373 E CA -0.611 55.648 56.400 -0.236 0.000 0.756 373 E CB 1.383 31.002 29.700 -0.134 0.000 1.152 373 E HN 0.626 nan 8.360 nan 0.000 0.416 374 L N 5.679 126.818 121.223 -0.140 0.000 2.395 374 L HA 0.270 4.610 4.340 -0.001 0.000 0.269 374 L C 1.608 178.452 176.870 -0.042 0.000 1.133 374 L CA -0.247 54.546 54.840 -0.078 0.000 0.812 374 L CB 0.871 42.924 42.059 -0.010 0.000 1.125 374 L HN 0.746 nan 8.230 nan 0.000 0.452 375 I N -1.630 118.925 120.570 -0.026 0.000 3.428 375 I HA 0.098 4.268 4.170 -0.001 0.000 0.286 375 I C 0.292 176.400 176.117 -0.014 0.000 1.287 375 I CA 0.668 61.956 61.300 -0.020 0.000 1.396 375 I CB -0.132 37.858 38.000 -0.017 0.000 1.062 375 I HN 0.498 nan 8.210 nan 0.000 0.471 376 K N 1.102 121.497 120.400 -0.010 0.000 2.508 376 K HA 0.540 4.859 4.320 -0.001 0.000 0.260 376 K C -2.804 173.786 176.600 -0.016 0.000 0.949 376 K CA -1.884 54.396 56.287 -0.012 0.000 0.834 376 K CB 2.195 34.690 32.500 -0.008 0.000 1.365 376 K HN -0.223 nan 8.250 nan 0.000 0.437 377 P HA 0.134 nan 4.420 nan 0.000 0.275 377 P C -1.186 176.075 177.300 -0.066 0.000 1.227 377 P CA -0.617 62.454 63.100 -0.048 0.000 0.781 377 P CB 0.914 32.580 31.700 -0.058 0.000 0.906 378 V N -0.746 119.106 119.914 -0.103 0.000 3.147 378 V HA 0.862 4.982 4.120 -0.001 0.000 0.306 378 V C -0.831 175.146 176.094 -0.194 0.000 1.209 378 V CA -1.600 60.623 62.300 -0.128 0.000 1.023 378 V CB 1.735 33.488 31.823 -0.116 0.000 1.059 378 V HN 0.584 nan 8.190 nan 0.000 0.435 379 A N 3.896 126.611 122.820 -0.175 0.000 2.451 379 A HA 0.732 5.052 4.320 -0.001 0.000 0.266 379 A C -0.428 177.011 177.584 -0.242 0.000 1.119 379 A CA 0.020 51.945 52.037 -0.187 0.000 0.786 379 A CB -0.556 18.362 19.000 -0.137 0.000 1.061 379 A HN 1.035 nan 8.150 nan 0.000 0.503 380 L N 2.074 123.162 121.223 -0.225 0.000 2.327 380 L HA 0.671 5.011 4.340 -0.001 0.000 0.258 380 L C -0.263 176.521 176.870 -0.143 0.000 1.024 380 L CA -0.531 54.129 54.840 -0.301 0.000 0.825 380 L CB 2.505 44.307 42.059 -0.429 0.000 1.386 380 L HN 0.856 nan 8.230 nan 0.000 0.417 381 E N 0.065 120.168 120.200 -0.163 0.000 2.392 381 E HA 0.310 4.660 4.350 -0.001 0.000 0.279 381 E C -1.728 174.821 176.600 -0.085 0.000 0.964 381 E CA -0.929 55.421 56.400 -0.083 0.000 0.777 381 E CB 2.200 31.869 29.700 -0.051 0.000 1.249 381 E HN 0.435 nan 8.360 nan 0.000 0.449 382 E N 0.224 120.393 120.200 -0.052 0.000 2.373 382 E HA 0.337 4.686 4.350 -0.001 0.000 0.267 382 E C 0.735 177.334 176.600 -0.002 0.000 1.032 382 E CA 0.589 56.973 56.400 -0.026 0.000 0.889 382 E CB 0.626 30.317 29.700 -0.015 0.000 0.984 382 E HN 0.842 nan 8.360 nan 0.000 0.425 383 G N 2.479 111.293 108.800 0.023 0.000 2.195 383 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.246 383 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.246 383 G C 0.144 175.073 174.900 0.048 0.000 0.984 383 G CA -0.295 44.824 45.100 0.030 0.000 0.633 383 G HN 0.484 nan 8.290 nan 0.000 0.525 384 L N 1.866 123.123 121.223 0.058 0.000 2.410 384 L HA 0.386 4.725 4.340 -0.001 0.000 0.273 384 L C 0.994 177.990 176.870 0.209 0.000 1.152 384 L CA -0.499 54.403 54.840 0.103 0.000 0.855 384 L CB 0.311 42.407 42.059 0.061 0.000 1.129 384 L HN 0.200 nan 8.230 nan 0.000 0.463 385 R N 4.688 125.297 120.500 0.183 0.000 2.543 385 R HA 0.562 4.901 4.340 -0.001 0.000 0.268 385 R C -0.909 175.585 176.300 0.324 0.000 1.067 385 R CA -0.297 55.894 56.100 0.151 0.000 1.142 385 R CB 1.411 31.740 30.300 0.047 0.000 1.110 385 R HN 0.556 nan 8.270 nan 0.000 0.549 386 F N -2.206 117.831 119.950 0.144 0.000 2.741 386 F HA 0.734 5.260 4.527 -0.001 0.000 0.313 386 F C -1.721 174.113 175.800 0.057 0.000 1.153 386 F CA -1.329 56.718 58.000 0.077 0.000 0.931 386 F CB 1.066 40.080 39.000 0.023 0.000 1.335 386 F HN 0.567 nan 8.300 nan 0.000 0.460 387 A N 1.422 124.400 122.820 0.264 0.000 2.384 387 A HA 0.911 5.230 4.320 -0.001 0.000 0.312 387 A C -1.389 176.330 177.584 0.224 0.000 1.113 387 A CA -0.982 51.142 52.037 0.146 0.000 0.779 387 A CB 1.364 20.384 19.000 0.033 0.000 1.307 387 A HN 0.783 nan 8.150 nan 0.000 0.436 388 I N 1.051 121.665 120.570 0.072 0.000 2.447 388 I HA 0.453 4.622 4.170 -0.001 0.000 0.287 388 I C -0.187 175.893 176.117 -0.062 0.000 1.023 388 I CA -0.329 60.896 61.300 -0.125 0.000 1.083 388 I CB 1.862 39.762 38.000 -0.167 0.000 1.245 388 I HN 0.661 nan 8.210 nan 0.000 0.434 389 R N 4.735 125.216 120.500 -0.032 0.000 2.750 389 R HA 0.676 5.015 4.340 -0.001 0.000 0.281 389 R C -0.995 175.270 176.300 -0.059 0.000 0.972 389 R CA -0.933 55.162 56.100 -0.009 0.000 0.912 389 R CB 3.007 33.324 30.300 0.029 0.000 1.187 389 R HN 0.486 nan 8.270 nan 0.000 0.464 390 E N 0.576 120.749 120.200 -0.046 0.000 2.388 390 E HA 0.198 4.547 4.350 -0.001 0.000 0.289 390 E C -0.390 176.198 176.600 -0.021 0.000 0.944 390 E CA 0.054 56.414 56.400 -0.067 0.000 0.792 390 E CB 1.795 31.419 29.700 -0.127 0.000 1.239 390 E HN 0.751 nan 8.360 nan 0.000 0.412 391 G N 2.627 111.412 108.800 -0.025 0.000 2.295 391 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.287 391 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.287 391 G C 0.956 175.843 174.900 -0.021 0.000 1.055 391 G CA 1.114 46.204 45.100 -0.017 0.000 0.922 391 G HN 1.593 nan 8.290 nan 0.000 0.503 392 G N -1.875 106.912 108.800 -0.022 0.000 2.168 392 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.263 392 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.263 392 G C 0.348 175.233 174.900 -0.026 0.000 0.977 392 G CA 1.311 46.395 45.100 -0.026 0.000 0.659 392 G HN 1.338 nan 8.290 nan 0.000 0.533 393 R N -0.779 119.707 120.500 -0.023 0.000 2.837 393 R HA 0.655 4.994 4.340 -0.001 0.000 0.271 393 R C -0.634 175.655 176.300 -0.020 0.000 0.993 393 R CA -0.647 55.442 56.100 -0.018 0.000 0.931 393 R CB 1.167 31.461 30.300 -0.009 0.000 1.206 393 R HN 0.072 nan 8.270 nan 0.000 0.474 394 T N 1.376 115.919 114.554 -0.019 0.000 2.780 394 T HA 0.156 4.505 4.350 -0.001 0.000 0.294 394 T C 1.122 175.832 174.700 0.016 0.000 0.949 394 T CA -0.453 61.634 62.100 -0.021 0.000 1.074 394 T CB 1.172 70.022 68.868 -0.030 0.000 0.910 394 T HN 0.559 nan 8.240 nan 0.000 0.501 395 V N 0.981 120.911 119.914 0.026 0.000 3.523 395 V HA 0.655 4.774 4.120 -0.001 0.000 0.255 395 V C 0.755 176.893 176.094 0.074 0.000 1.226 395 V CA 0.595 62.932 62.300 0.061 0.000 1.092 395 V CB -0.148 31.735 31.823 0.100 0.000 0.817 395 V HN 0.895 nan 8.190 nan 0.000 0.458 396 G N -0.795 108.048 108.800 0.071 0.000 2.646 396 G HA2 0.765 4.725 3.960 -0.001 0.000 0.291 396 G HA3 0.765 4.725 3.960 -0.001 0.000 0.291 396 G C -1.587 173.357 174.900 0.074 0.000 1.445 396 G CA -0.223 44.931 45.100 0.090 0.000 0.814 396 G HN 0.956 nan 8.290 nan 0.000 0.495 397 A N -0.742 122.122 122.820 0.072 0.000 2.393 397 A HA 1.003 5.322 4.320 -0.001 0.000 0.306 397 A C 0.137 177.597 177.584 -0.208 0.000 1.050 397 A CA 0.096 52.101 52.037 -0.054 0.000 0.724 397 A CB 1.834 20.859 19.000 0.042 0.000 1.248 397 A HN 2.097 nan 8.150 nan 0.000 0.424 398 G N -0.475 107.912 108.800 -0.688 0.000 2.788 398 G HA2 0.673 4.632 3.960 -0.001 0.000 0.293 398 G HA3 0.673 4.632 3.960 -0.001 0.000 0.293 398 G C -1.587 172.833 174.900 -0.800 0.000 1.392 398 G CA -0.504 44.130 45.100 -0.776 0.000 0.810 398 G HN 1.253 nan 8.290 nan 0.000 0.508 399 V N -0.401 119.355 119.914 -0.263 0.000 2.841 399 V HA 0.504 4.623 4.120 -0.001 0.000 0.310 399 V C -0.152 176.136 176.094 0.323 0.000 1.090 399 V CA -0.858 61.470 62.300 0.046 0.000 0.930 399 V CB 1.819 33.656 31.823 0.023 0.000 1.014 399 V HN 0.609 nan 8.190 nan 0.000 0.425 400 V N 3.361 123.490 119.914 0.358 0.000 2.455 400 V HA 0.200 4.320 4.120 -0.001 0.000 0.273 400 V C 1.430 177.614 176.094 0.150 0.000 1.045 400 V CA 0.861 63.316 62.300 0.258 0.000 0.976 400 V CB 1.097 32.897 31.823 -0.038 0.000 0.993 400 V HN 1.169 nan 8.190 nan 0.000 0.475 401 T N 1.257 115.911 114.554 0.165 0.000 3.015 401 T HA 0.215 4.564 4.350 -0.001 0.000 0.250 401 T C 0.451 175.192 174.700 0.068 0.000 1.057 401 T CA 0.007 62.164 62.100 0.096 0.000 1.066 401 T CB 0.285 69.205 68.868 0.087 0.000 0.959 401 T HN 0.527 nan 8.240 nan 0.000 0.488 402 K N 0.682 121.134 120.400 0.086 0.000 2.570 402 K HA 0.387 4.706 4.320 -0.001 0.000 0.256 402 K C -1.787 174.842 176.600 0.048 0.000 0.939 402 K CA -0.845 55.468 56.287 0.044 0.000 0.833 402 K CB 1.663 34.186 32.500 0.039 0.000 1.318 402 K HN -0.027 nan 8.250 nan 0.000 0.433 403 I N 6.154 126.702 120.570 -0.038 0.000 2.395 403 I HA 0.114 4.284 4.170 -0.001 0.000 0.289 403 I C 1.158 177.210 176.117 -0.108 0.000 1.023 403 I CA -0.142 61.093 61.300 -0.108 0.000 1.350 403 I CB 1.126 38.926 38.000 -0.334 0.000 1.409 403 I HN 0.776 nan 8.210 nan 0.000 0.507 404 L N 4.697 125.878 121.223 -0.069 0.000 2.425 404 L HA 0.183 4.522 4.340 -0.001 0.000 0.215 404 L C 0.657 177.480 176.870 -0.078 0.000 1.065 404 L CA 0.338 55.144 54.840 -0.056 0.000 0.842 404 L CB 0.227 42.275 42.059 -0.019 0.000 1.033 404 L HN 0.762 nan 8.230 nan 0.000 0.474 405 E N 0.000 120.144 120.200 -0.094 0.000 2.725 405 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 405 E CA 0.000 56.385 56.400 -0.026 0.000 0.976 405 E CB 0.000 29.706 29.700 0.010 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440