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 3ixm_1_A DATA FIRST_RESID 7 DATA SEQUENCE PTIGMIVPPA AGLVPADGAR LYPDLPFIAS GLGLGSVTPE GYDAVIESVV DATA SEQUENCE DHARRLQKQG AAVVSLMCTS LSFYRGAAFN AALTVAMREA TGLPCTTMST DATA SEQUENCE AVLNGLRALG VRRVALATAY IDDVNERLAA FLAEESLVPT GCRSLGITGV DATA SEQUENCE EAMARVDTAT LVDLCVRAFE AAPDSDGILL SCGGLLTLDA IPEVERRLGV DATA SEQUENCE PVVSSSPAGF WDAVRLAGGG AKARPGYGRL FDE 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.212 177.300 -0.146 0.000 1.155 7 P CA 0.000 63.037 63.100 -0.106 0.000 0.800 7 P CB 0.000 31.642 31.700 -0.097 0.000 0.726 8 T N 2.443 116.925 114.554 -0.120 0.000 2.832 8 T HA 0.530 4.883 4.350 0.005 0.000 0.296 8 T C 0.475 175.102 174.700 -0.122 0.000 0.968 8 T CA -0.115 61.903 62.100 -0.137 0.000 1.107 8 T CB 0.297 69.113 68.868 -0.087 0.000 0.916 8 T HN 0.236 nan 8.240 nan 0.000 0.517 9 I N 2.529 123.009 120.570 -0.149 0.000 2.354 9 I HA 0.466 4.639 4.170 0.005 0.000 0.292 9 I C 0.948 177.093 176.117 0.047 0.000 0.989 9 I CA -0.623 60.651 61.300 -0.043 0.000 1.188 9 I CB 1.423 39.426 38.000 0.005 0.000 1.342 9 I HN 0.651 nan 8.210 nan 0.000 0.457 10 G N 6.844 115.654 108.800 0.017 0.000 2.348 10 G HA2 0.733 4.697 3.960 0.005 0.000 0.312 10 G HA3 0.733 4.697 3.960 0.005 0.000 0.312 10 G C -0.692 174.209 174.900 0.001 0.000 1.126 10 G CA -0.590 44.521 45.100 0.019 0.000 0.865 10 G HN 0.473 nan 8.290 nan 0.000 0.474 11 M N 1.972 121.569 119.600 -0.005 0.000 2.326 11 M HA 0.396 4.879 4.480 0.005 0.000 0.306 11 M C -0.708 175.567 176.300 -0.042 0.000 1.054 11 M CA -0.438 54.826 55.300 -0.060 0.000 0.922 11 M CB 2.779 35.300 32.600 -0.131 0.000 1.632 11 M HN 0.257 nan 8.290 nan 0.000 0.436 12 I N 3.957 124.495 120.570 -0.053 0.000 2.331 12 I HA 0.480 4.653 4.170 0.005 0.000 0.292 12 I C -0.205 175.863 176.117 -0.081 0.000 0.998 12 I CA -0.901 60.369 61.300 -0.049 0.000 1.267 12 I CB 1.165 39.142 38.000 -0.038 0.000 1.386 12 I HN 0.450 nan 8.210 nan 0.000 0.476 13 V N 3.806 123.665 119.914 -0.091 0.000 2.960 13 V HA 0.515 4.638 4.120 0.005 0.000 0.315 13 V C -2.402 173.624 176.094 -0.112 0.000 1.087 13 V CA -1.794 60.452 62.300 -0.090 0.000 0.982 13 V CB 1.495 33.280 31.823 -0.063 0.000 1.039 13 V HN 0.420 nan 8.190 nan 0.000 0.437 14 P HA 0.022 nan 4.420 nan 0.000 0.215 14 P C -2.097 175.144 177.300 -0.098 0.000 1.157 14 P CA 1.400 64.437 63.100 -0.105 0.000 0.868 14 P CB -1.188 30.458 31.700 -0.089 0.000 0.788 15 P HA 0.072 nan 4.420 nan 0.000 0.276 15 P C 0.383 177.645 177.300 -0.064 0.000 1.252 15 P CA 0.115 63.180 63.100 -0.058 0.000 0.802 15 P CB 0.848 32.526 31.700 -0.036 0.000 1.035 16 A N 1.664 124.456 122.820 -0.046 0.000 1.969 16 A HA -0.065 4.259 4.320 0.005 0.000 0.218 16 A C 2.250 179.825 177.584 -0.015 0.000 1.169 16 A CA 1.999 54.016 52.037 -0.034 0.000 0.635 16 A CB -1.621 17.370 19.000 -0.016 0.000 0.810 16 A HN 0.590 nan 8.150 nan 0.000 0.445 17 A N -1.240 121.573 122.820 -0.011 0.000 1.969 17 A HA 0.343 4.666 4.320 0.005 0.000 0.218 17 A C 1.846 179.434 177.584 0.006 0.000 1.169 17 A CA 1.482 53.520 52.037 0.002 0.000 0.635 17 A CB -1.070 17.931 19.000 0.001 0.000 0.810 17 A HN 2.029 nan 8.150 nan 0.000 0.445 18 G N -0.920 107.876 108.800 -0.006 0.000 2.401 18 G HA2 -0.141 3.823 3.960 0.005 0.000 0.283 18 G HA3 -0.141 3.823 3.960 0.005 0.000 0.283 18 G C -0.314 174.594 174.900 0.013 0.000 1.117 18 G CA 0.173 45.274 45.100 0.002 0.000 1.051 18 G HN 0.517 nan 8.290 nan 0.000 0.510 19 L N 0.024 121.252 121.223 0.008 0.000 2.309 19 L HA 0.548 4.892 4.340 0.005 0.000 0.282 19 L C 1.080 177.965 176.870 0.025 0.000 1.036 19 L CA -1.395 53.457 54.840 0.020 0.000 0.806 19 L CB 1.762 43.830 42.059 0.015 0.000 1.220 19 L HN 0.002 nan 8.230 nan 0.000 0.429 20 V N 3.680 123.624 119.914 0.049 0.000 2.599 20 V HA 0.043 4.166 4.120 0.005 0.000 0.300 20 V C -1.759 174.384 176.094 0.080 0.000 1.034 20 V CA -0.951 61.388 62.300 0.065 0.000 1.115 20 V CB 0.228 32.124 31.823 0.122 0.000 0.934 20 V HN 0.650 nan 8.190 nan 0.000 0.485 21 P HA 0.089 nan 4.420 nan 0.000 0.265 21 P C 0.476 177.860 177.300 0.141 0.000 1.187 21 P CA 0.209 63.388 63.100 0.132 0.000 0.766 21 P CB 0.709 32.520 31.700 0.186 0.000 0.820 22 A N 2.467 125.314 122.820 0.044 0.000 1.968 22 A HA -0.077 4.247 4.320 0.005 0.000 0.217 22 A C 0.962 178.474 177.584 -0.120 0.000 1.169 22 A CA 1.052 53.068 52.037 -0.035 0.000 0.638 22 A CB -0.653 18.330 19.000 -0.028 0.000 0.812 22 A HN 0.548 nan 8.150 nan 0.000 0.446 23 D N -1.324 119.038 120.400 -0.063 0.000 2.393 23 D HA 0.443 5.086 4.640 0.005 0.000 0.232 23 D C 0.851 177.016 176.300 -0.225 0.000 1.192 23 D CA 1.128 55.059 54.000 -0.115 0.000 0.882 23 D CB 0.196 40.979 40.800 -0.028 0.000 1.038 23 D HN 0.379 nan 8.370 nan 0.000 0.499 24 G N 2.625 111.112 108.800 -0.522 0.000 2.380 24 G HA2 -0.206 3.757 3.960 0.005 0.000 0.197 24 G HA3 -0.206 3.757 3.960 0.005 0.000 0.197 24 G C 1.221 175.269 174.900 -1.421 0.000 1.001 24 G CA 0.277 44.856 45.100 -0.869 0.000 0.668 24 G HN 0.686 nan 8.290 nan 0.000 0.483 25 A N 0.669 122.668 122.820 -1.368 0.000 1.930 25 A HA 0.144 4.468 4.320 0.005 0.000 0.217 25 A C 2.124 179.441 177.584 -0.445 0.000 1.175 25 A CA 2.125 53.571 52.037 -0.984 0.000 0.627 25 A CB -0.497 18.217 19.000 -0.477 0.000 0.815 25 A HN 0.330 nan 8.150 nan 0.000 0.443 26 R N -0.321 119.929 120.500 -0.417 0.000 2.154 26 R HA -0.151 4.192 4.340 0.005 0.000 0.248 26 R C 1.838 177.926 176.300 -0.354 0.000 1.155 26 R CA 1.429 57.340 56.100 -0.315 0.000 0.979 26 R CB -0.583 29.498 30.300 -0.365 0.000 0.869 26 R HN 0.621 nan 8.270 nan 0.000 0.452 27 L N -1.015 119.888 121.223 -0.533 0.000 2.191 27 L HA -0.156 4.187 4.340 0.005 0.000 0.212 27 L C 0.491 176.939 176.870 -0.702 0.000 1.103 27 L CA 1.205 55.626 54.840 -0.697 0.000 0.769 27 L CB -0.074 41.386 42.059 -0.997 0.000 0.908 27 L HN 0.169 nan 8.230 nan 0.000 0.438 28 Y N -1.443 118.841 120.300 -0.026 0.000 2.470 28 Y HA 0.233 4.785 4.550 0.004 0.000 0.352 28 Y C -1.584 174.407 175.900 0.153 0.000 0.967 28 Y CA -1.592 56.590 58.100 0.136 0.000 1.121 28 Y CB 0.217 38.894 38.460 0.363 0.000 1.149 28 Y HN -0.034 nan 8.280 nan 0.000 0.641 29 P HA -0.107 nan 4.420 nan 0.000 0.223 29 P C 0.376 177.743 177.300 0.112 0.000 1.151 29 P CA 1.422 64.589 63.100 0.112 0.000 0.787 29 P CB 0.529 32.258 31.700 0.048 0.000 0.788 30 D N -0.726 119.739 120.400 0.108 0.000 2.350 30 D HA 0.099 4.742 4.640 0.005 0.000 0.213 30 D C 0.918 177.229 176.300 0.017 0.000 1.031 30 D CA 0.288 54.324 54.000 0.060 0.000 0.861 30 D CB 0.282 41.113 40.800 0.052 0.000 0.926 30 D HN 0.252 nan 8.370 nan 0.000 0.520 31 L N 2.241 123.469 121.223 0.008 0.000 2.334 31 L HA 0.334 4.677 4.340 0.005 0.000 0.277 31 L C -2.184 174.458 176.870 -0.381 0.000 1.075 31 L CA -1.816 52.893 54.840 -0.218 0.000 0.804 31 L CB 1.041 42.892 42.059 -0.347 0.000 1.174 31 L HN -0.265 nan 8.230 nan 0.000 0.438 32 P HA 0.336 nan 4.420 nan 0.000 0.287 32 P C -1.274 175.713 177.300 -0.522 0.000 1.281 32 P CA -0.019 62.895 63.100 -0.310 0.000 0.781 32 P CB 0.433 32.029 31.700 -0.173 0.000 0.903 33 F N 2.650 122.623 119.950 0.038 0.000 2.529 33 F HA 0.527 5.057 4.527 0.005 0.000 0.320 33 F C 0.421 176.233 175.800 0.020 0.000 1.118 33 F CA -0.837 57.182 58.000 0.033 0.000 0.915 33 F CB 1.880 40.941 39.000 0.101 0.000 1.161 33 F HN 0.052 nan 8.300 nan 0.000 0.445 34 I N 2.731 123.405 120.570 0.172 0.000 2.509 34 I HA 0.725 4.898 4.170 0.005 0.000 0.293 34 I C -0.598 175.568 176.117 0.082 0.000 1.020 34 I CA -0.852 60.508 61.300 0.100 0.000 1.088 34 I CB 2.005 40.035 38.000 0.049 0.000 1.267 34 I HN 0.675 nan 8.210 nan 0.000 0.430 35 A N 3.861 126.720 122.820 0.064 0.000 2.380 35 A HA 0.820 5.143 4.320 0.005 0.000 0.315 35 A C -0.791 176.819 177.584 0.043 0.000 1.101 35 A CA -0.559 51.501 52.037 0.038 0.000 0.771 35 A CB 1.940 20.953 19.000 0.023 0.000 1.287 35 A HN 0.566 nan 8.150 nan 0.000 0.436 36 S N 0.112 115.839 115.700 0.045 0.000 2.594 36 S HA 0.652 5.125 4.470 0.005 0.000 0.296 36 S C -0.079 174.533 174.600 0.020 0.000 1.124 36 S CA 0.080 58.341 58.200 0.102 0.000 1.011 36 S CB 1.107 64.427 63.200 0.199 0.000 1.016 36 S HN 1.565 nan 8.310 nan 0.000 0.485 37 G N 3.598 112.387 108.800 -0.018 0.000 2.332 37 G HA2 0.485 4.448 3.960 0.005 0.000 0.310 37 G HA3 0.485 4.448 3.960 0.005 0.000 0.310 37 G C 0.661 175.304 174.900 -0.428 0.000 1.123 37 G CA -0.642 44.366 45.100 -0.153 0.000 0.873 37 G HN 0.779 nan 8.290 nan 0.000 0.460 38 L N 2.337 123.287 121.223 -0.454 0.000 2.156 38 L HA 0.119 4.462 4.340 0.005 0.000 0.208 38 L C 2.131 178.849 176.870 -0.253 0.000 1.095 38 L CA 0.845 55.367 54.840 -0.530 0.000 0.770 38 L CB -0.251 41.624 42.059 -0.305 0.000 0.914 38 L HN 0.831 nan 8.230 nan 0.000 0.439 39 G N 0.302 109.008 108.800 -0.156 0.000 2.314 39 G HA2 -0.278 3.685 3.960 0.005 0.000 0.292 39 G HA3 -0.278 3.685 3.960 0.005 0.000 0.292 39 G C 0.792 175.652 174.900 -0.067 0.000 1.059 39 G CA 0.256 45.309 45.100 -0.079 0.000 0.982 39 G HN 0.290 nan 8.290 nan 0.000 0.505 40 L N -0.484 120.688 121.223 -0.085 0.000 2.093 40 L HA 0.098 4.441 4.340 0.005 0.000 0.208 40 L C 2.821 179.655 176.870 -0.060 0.000 1.085 40 L CA 2.008 56.802 54.840 -0.076 0.000 0.755 40 L CB -0.420 41.579 42.059 -0.100 0.000 0.904 40 L HN 1.212 nan 8.230 nan 0.000 0.435 41 G N -0.991 107.774 108.800 -0.058 0.000 2.328 41 G HA2 -0.330 3.633 3.960 0.005 0.000 0.256 41 G HA3 -0.330 3.633 3.960 0.005 0.000 0.256 41 G C 0.495 175.357 174.900 -0.063 0.000 1.014 41 G CA 0.568 45.639 45.100 -0.049 0.000 0.620 41 G HN 0.413 nan 8.290 nan 0.000 0.530 42 S N -2.148 113.499 115.700 -0.088 0.000 2.661 42 S HA 0.642 5.115 4.470 0.005 0.000 0.285 42 S C 0.604 175.101 174.600 -0.170 0.000 1.138 42 S CA 0.218 58.343 58.200 -0.124 0.000 0.855 42 S CB 2.135 65.253 63.200 -0.137 0.000 1.136 42 S HN 0.678 nan 8.310 nan 0.000 0.484 43 V N 1.728 121.506 119.914 -0.227 0.000 3.578 43 V HA 0.217 4.340 4.120 0.005 0.000 0.290 43 V C 0.462 176.214 176.094 -0.570 0.000 1.376 43 V CA 0.746 62.862 62.300 -0.307 0.000 1.083 43 V CB 0.368 32.047 31.823 -0.240 0.000 0.911 43 V HN 0.967 nan 8.190 nan 0.000 0.433 44 T N -0.679 113.505 114.554 -0.615 0.000 3.542 44 T HA 0.409 4.762 4.350 0.005 0.000 0.276 44 T C -2.735 171.630 174.700 -0.558 0.000 1.412 44 T CA -1.424 60.021 62.100 -1.092 0.000 1.664 44 T CB 1.042 69.483 68.868 -0.712 0.000 0.863 44 T HN 0.119 nan 8.240 nan 0.000 0.661 45 P HA 0.454 nan 4.420 nan 0.000 0.276 45 P C -0.043 177.295 177.300 0.063 0.000 1.244 45 P CA -0.454 62.593 63.100 -0.089 0.000 0.801 45 P CB 1.016 32.681 31.700 -0.058 0.000 1.006 46 E N -0.164 120.059 120.200 0.039 0.000 2.373 46 E HA 0.458 4.812 4.350 0.005 0.000 0.263 46 E C 0.239 176.869 176.600 0.051 0.000 1.073 46 E CA 0.099 56.528 56.400 0.048 0.000 0.894 46 E CB 0.126 29.843 29.700 0.028 0.000 1.008 46 E HN 0.767 nan 8.360 nan 0.000 0.420 47 G N 2.080 110.917 108.800 0.062 0.000 2.953 47 G HA2 -0.267 3.696 3.960 0.005 0.000 0.203 47 G HA3 -0.267 3.696 3.960 0.005 0.000 0.203 47 G C -0.015 174.965 174.900 0.134 0.000 1.094 47 G CA -0.016 45.136 45.100 0.086 0.000 1.016 47 G HN 0.709 nan 8.290 nan 0.000 0.535 48 Y N 0.567 120.862 120.300 -0.008 0.000 2.029 48 Y HA -0.327 4.226 4.550 0.005 0.000 0.269 48 Y C 2.370 178.363 175.900 0.155 0.000 1.201 48 Y CA 2.681 60.794 58.100 0.022 0.000 1.115 48 Y CB 0.151 38.596 38.460 -0.026 0.000 0.945 48 Y HN 0.452 nan 8.280 nan 0.000 0.497 49 D N -0.156 120.483 120.400 0.398 0.000 2.097 49 D HA -0.171 4.472 4.640 0.005 0.000 0.197 49 D C 2.312 178.704 176.300 0.154 0.000 0.984 49 D CA 1.443 55.606 54.000 0.272 0.000 0.826 49 D CB -0.769 40.150 40.800 0.197 0.000 0.973 49 D HN 0.512 nan 8.370 nan 0.000 0.460 50 A N 0.799 123.693 122.820 0.124 0.000 1.917 50 A HA -0.177 4.146 4.320 0.005 0.000 0.219 50 A C 2.566 180.201 177.584 0.084 0.000 1.182 50 A CA 1.531 53.621 52.037 0.087 0.000 0.633 50 A CB -0.829 18.214 19.000 0.071 0.000 0.819 50 A HN 0.154 nan 8.150 nan 0.000 0.448 51 V N 0.682 120.659 119.914 0.105 0.000 2.261 51 V HA -0.253 3.870 4.120 0.005 0.000 0.246 51 V C 2.468 178.608 176.094 0.076 0.000 1.047 51 V CA 1.830 64.197 62.300 0.111 0.000 1.015 51 V CB -0.685 31.263 31.823 0.208 0.000 0.642 51 V HN 0.534 nan 8.190 nan 0.000 0.446 52 I N 0.196 120.804 120.570 0.064 0.000 2.208 52 I HA -0.200 3.973 4.170 0.005 0.000 0.245 52 I C 2.650 178.775 176.117 0.014 0.000 1.097 52 I CA 1.622 62.912 61.300 -0.016 0.000 1.363 52 I CB -1.339 36.648 38.000 -0.020 0.000 1.051 52 I HN 0.421 nan 8.210 nan 0.000 0.413 53 E N 1.205 121.434 120.200 0.047 0.000 2.058 53 E HA -0.158 4.195 4.350 0.005 0.000 0.194 53 E C 2.296 178.929 176.600 0.055 0.000 0.997 53 E CA 1.744 58.172 56.400 0.046 0.000 0.801 53 E CB -0.442 29.291 29.700 0.054 0.000 0.746 53 E HN 0.510 nan 8.360 nan 0.000 0.450 54 S N 1.092 116.836 115.700 0.074 0.000 2.383 54 S HA -0.080 4.393 4.470 0.005 0.000 0.227 54 S C 2.392 177.091 174.600 0.165 0.000 1.026 54 S CA 0.992 59.273 58.200 0.135 0.000 0.981 54 S CB -0.476 62.789 63.200 0.109 0.000 0.818 54 S HN 0.019 nan 8.310 nan 0.000 0.472 55 V N 1.826 121.781 119.914 0.069 0.000 2.295 55 V HA -0.147 3.977 4.120 0.005 0.000 0.246 55 V C 2.454 178.574 176.094 0.044 0.000 1.049 55 V CA 1.405 63.727 62.300 0.037 0.000 1.024 55 V CB -0.777 31.024 31.823 -0.036 0.000 0.648 55 V HN 0.357 nan 8.190 nan 0.000 0.447 56 V N 0.520 120.446 119.914 0.019 0.000 2.287 56 V HA -0.311 3.813 4.120 0.005 0.000 0.248 56 V C 2.466 178.561 176.094 0.002 0.000 1.053 56 V CA 2.454 64.757 62.300 0.004 0.000 1.027 56 V CB -0.712 31.109 31.823 -0.003 0.000 0.646 56 V HN 0.674 nan 8.190 nan 0.000 0.447 57 D N -0.666 119.736 120.400 0.005 0.000 2.116 57 D HA -0.241 4.402 4.640 0.005 0.000 0.193 57 D C 2.067 178.271 176.300 -0.160 0.000 0.998 57 D CA 1.842 55.799 54.000 -0.071 0.000 0.836 57 D CB -0.288 40.468 40.800 -0.074 0.000 0.951 57 D HN 0.598 nan 8.370 nan 0.000 0.449 58 H N -0.506 118.552 119.070 -0.019 0.000 2.428 58 H HA 0.087 4.646 4.556 0.005 0.000 0.296 58 H C 1.979 177.292 175.328 -0.025 0.000 1.062 58 H CA 1.083 57.118 56.048 -0.021 0.000 1.350 58 H CB -0.018 29.730 29.762 -0.023 0.000 1.403 58 H HN 0.238 nan 8.280 nan 0.000 0.533 59 A N 1.516 124.368 122.820 0.052 0.000 1.902 59 A HA -0.183 4.140 4.320 0.005 0.000 0.217 59 A C 2.475 180.051 177.584 -0.013 0.000 1.181 59 A CA 1.225 53.268 52.037 0.011 0.000 0.623 59 A CB -0.376 18.621 19.000 -0.005 0.000 0.818 59 A HN 0.307 nan 8.150 nan 0.000 0.443 60 R N -0.694 119.788 120.500 -0.030 0.000 2.096 60 R HA -0.073 4.270 4.340 0.005 0.000 0.235 60 R C 2.421 178.692 176.300 -0.049 0.000 1.127 60 R CA 1.388 57.464 56.100 -0.040 0.000 0.968 60 R CB -0.285 29.987 30.300 -0.047 0.000 0.861 60 R HN 0.508 nan 8.270 nan 0.000 0.440 61 R N 0.532 120.989 120.500 -0.073 0.000 2.096 61 R HA -0.097 4.247 4.340 0.005 0.000 0.235 61 R C 2.300 178.583 176.300 -0.029 0.000 1.127 61 R CA 1.161 57.220 56.100 -0.068 0.000 0.968 61 R CB -0.384 29.850 30.300 -0.110 0.000 0.861 61 R HN 0.224 nan 8.270 nan 0.000 0.440 62 L N 0.660 121.876 121.223 -0.012 0.000 2.093 62 L HA -0.164 4.180 4.340 0.005 0.000 0.208 62 L C 2.912 179.774 176.870 -0.012 0.000 1.085 62 L CA 1.004 55.843 54.840 -0.002 0.000 0.755 62 L CB -0.487 41.577 42.059 0.008 0.000 0.904 62 L HN 0.235 nan 8.230 nan 0.000 0.435 63 Q N 1.184 120.973 119.800 -0.018 0.000 2.096 63 Q HA -0.244 4.099 4.340 0.005 0.000 0.204 63 Q C 2.028 178.015 176.000 -0.021 0.000 0.982 63 Q CA 1.743 57.534 55.803 -0.021 0.000 0.850 63 Q CB -0.008 28.717 28.738 -0.023 0.000 0.901 63 Q HN 0.448 nan 8.270 nan 0.000 0.422 64 K N 0.003 120.390 120.400 -0.023 0.000 2.280 64 K HA -0.125 4.199 4.320 0.005 0.000 0.202 64 K C 1.928 178.518 176.600 -0.018 0.000 1.047 64 K CA 1.042 57.316 56.287 -0.022 0.000 0.942 64 K CB 0.064 32.548 32.500 -0.025 0.000 0.739 64 K HN 0.358 nan 8.250 nan 0.000 0.457 65 Q N -0.653 119.138 119.800 -0.015 0.000 2.403 65 Q HA 0.061 4.404 4.340 0.005 0.000 0.203 65 Q C 0.659 176.650 176.000 -0.014 0.000 0.932 65 Q CA 0.428 56.224 55.803 -0.011 0.000 0.945 65 Q CB 0.800 29.536 28.738 -0.004 0.000 1.045 65 Q HN 0.493 nan 8.270 nan 0.000 0.511 66 G N 0.574 109.363 108.800 -0.019 0.000 2.157 66 G HA2 -0.277 3.686 3.960 0.005 0.000 0.239 66 G HA3 -0.277 3.686 3.960 0.005 0.000 0.239 66 G C 0.267 175.150 174.900 -0.029 0.000 0.982 66 G CA -0.170 44.916 45.100 -0.024 0.000 0.650 66 G HN 0.522 nan 8.290 nan 0.000 0.527 67 A N 0.050 122.855 122.820 -0.026 0.000 2.565 67 A HA 0.658 4.981 4.320 0.005 0.000 0.237 67 A C 1.627 179.189 177.584 -0.037 0.000 1.053 67 A CA 1.271 53.289 52.037 -0.031 0.000 0.755 67 A CB 0.458 19.446 19.000 -0.020 0.000 0.980 67 A HN 1.822 nan 8.150 nan 0.000 0.506 68 A N 2.134 124.926 122.820 -0.047 0.000 2.095 68 A HA 0.436 4.759 4.320 0.005 0.000 0.212 68 A C 0.877 178.433 177.584 -0.047 0.000 1.162 68 A CA 1.343 53.350 52.037 -0.048 0.000 0.753 68 A CB -0.448 18.516 19.000 -0.060 0.000 0.840 68 A HN 2.020 nan 8.150 nan 0.000 0.468 69 V N -4.328 115.558 119.914 -0.047 0.000 3.188 69 V HA 0.772 4.895 4.120 0.005 0.000 0.305 69 V C -1.097 174.974 176.094 -0.037 0.000 1.232 69 V CA -0.943 61.330 62.300 -0.045 0.000 1.043 69 V CB 1.640 33.429 31.823 -0.055 0.000 1.068 69 V HN -0.028 nan 8.190 nan 0.000 0.439 70 V N 1.383 121.274 119.914 -0.038 0.000 2.588 70 V HA 0.752 4.876 4.120 0.005 0.000 0.304 70 V C -0.097 175.969 176.094 -0.046 0.000 1.042 70 V CA -0.069 62.210 62.300 -0.035 0.000 0.877 70 V CB 1.758 33.564 31.823 -0.028 0.000 0.996 70 V HN 1.167 nan 8.190 nan 0.000 0.425 71 S N 4.156 119.822 115.700 -0.057 0.000 2.473 71 S HA 0.618 5.091 4.470 0.005 0.000 0.307 71 S C -0.839 173.716 174.600 -0.076 0.000 1.094 71 S CA -0.576 57.582 58.200 -0.070 0.000 1.070 71 S CB 1.237 64.379 63.200 -0.095 0.000 1.019 71 S HN 0.655 nan 8.310 nan 0.000 0.480 72 L N 6.235 127.417 121.223 -0.068 0.000 2.407 72 L HA 0.427 4.770 4.340 0.005 0.000 0.282 72 L C -0.068 176.756 176.870 -0.076 0.000 1.110 72 L CA 0.494 55.290 54.840 -0.073 0.000 0.863 72 L CB 0.177 42.189 42.059 -0.077 0.000 1.207 72 L HN 0.701 nan 8.230 nan 0.000 0.454 73 M N 5.913 125.457 119.600 -0.093 0.000 3.590 73 M HA 0.197 4.680 4.480 0.005 0.000 0.214 73 M C -0.813 175.447 176.300 -0.067 0.000 1.306 73 M CA 0.080 55.319 55.300 -0.102 0.000 1.479 73 M CB -0.367 32.127 32.600 -0.176 0.000 1.083 73 M HN 0.694 nan 8.290 nan 0.000 0.617 74 C N 0.447 119.715 119.300 -0.054 0.000 2.716 74 C HA 0.418 4.881 4.460 0.005 0.000 0.366 74 C C 1.595 176.555 174.990 -0.049 0.000 1.073 74 C CA -0.260 58.727 59.018 -0.052 0.000 1.260 74 C CB 0.972 28.653 27.740 -0.097 0.000 1.755 74 C HN 0.859 nan 8.230 nan 0.000 0.475 75 T N 2.534 117.102 114.554 0.023 0.000 2.668 75 T HA -0.115 4.238 4.350 0.005 0.000 0.262 75 T C 1.942 176.487 174.700 -0.258 0.000 1.045 75 T CA 2.086 64.246 62.100 0.100 0.000 1.152 75 T CB -0.284 68.797 68.868 0.356 0.000 0.864 75 T HN 0.760 nan 8.240 nan 0.000 0.419 76 S N 1.458 116.825 115.700 -0.556 0.000 2.365 76 S HA -0.040 4.434 4.470 0.005 0.000 0.225 76 S C 1.974 175.993 174.600 -0.968 0.000 1.039 76 S CA 0.915 58.299 58.200 -1.359 0.000 1.033 76 S CB -0.676 62.024 63.200 -0.834 0.000 0.887 76 S HN 0.311 nan 8.310 nan 0.000 0.447 77 L N 1.559 122.467 121.223 -0.525 0.000 2.131 77 L HA -0.118 4.225 4.340 0.005 0.000 0.210 77 L C 2.164 179.062 176.870 0.047 0.000 1.092 77 L CA 1.590 56.268 54.840 -0.270 0.000 0.759 77 L CB -0.419 41.531 42.059 -0.181 0.000 0.903 77 L HN 0.459 nan 8.230 nan 0.000 0.435 78 S N -1.281 114.352 115.700 -0.111 0.000 2.524 78 S HA -0.061 4.413 4.470 0.005 0.000 0.216 78 S C 1.254 175.802 174.600 -0.087 0.000 0.987 78 S CA 0.045 58.220 58.200 -0.042 0.000 0.909 78 S CB -0.170 62.989 63.200 -0.069 0.000 0.781 78 S HN 0.551 nan 8.310 nan 0.000 0.521 79 F N 0.896 120.737 119.950 -0.182 0.000 2.724 79 F HA 0.398 4.930 4.527 0.009 0.000 0.306 79 F C 1.617 177.370 175.800 -0.077 0.000 1.100 79 F CA -1.393 56.332 58.000 -0.459 0.000 1.255 79 F CB -0.802 37.693 39.000 -0.841 0.000 1.072 79 F HN 0.213 nan 8.300 nan 0.000 0.589 80 Y N 0.863 120.993 120.300 -0.282 0.000 2.509 80 Y HA 0.306 4.859 4.550 0.004 0.000 0.293 80 Y C 1.371 177.258 175.900 -0.023 0.000 1.133 80 Y CA 0.656 58.669 58.100 -0.144 0.000 1.283 80 Y CB -0.431 37.825 38.460 -0.341 0.000 1.001 80 Y HN 0.007 nan 8.280 nan 0.000 0.555 81 R N 1.223 121.453 120.500 -0.449 0.000 2.577 81 R HA 0.328 4.671 4.340 0.005 0.000 0.344 81 R C 0.507 176.804 176.300 -0.004 0.000 1.037 81 R CA 0.254 56.096 56.100 -0.429 0.000 1.102 81 R CB 0.737 30.480 30.300 -0.929 0.000 1.313 81 R HN 0.569 nan 8.270 nan 0.000 0.561 82 G N 0.492 109.401 108.800 0.181 0.000 2.782 82 G HA2 -0.317 3.646 3.960 0.005 0.000 0.228 82 G HA3 -0.317 3.646 3.960 0.005 0.000 0.228 82 G C 0.640 175.807 174.900 0.445 0.000 1.372 82 G CA -0.368 44.942 45.100 0.351 0.000 0.862 82 G HN 0.204 nan 8.290 nan 0.000 0.547 83 A N -0.699 122.364 122.820 0.404 0.000 1.933 83 A HA 0.278 4.601 4.320 0.005 0.000 0.218 83 A C 2.982 180.714 177.584 0.246 0.000 1.175 83 A CA 3.454 55.694 52.037 0.337 0.000 0.628 83 A CB -0.920 18.139 19.000 0.097 0.000 0.814 83 A HN 2.464 nan 8.150 nan 0.000 0.444 84 A N -1.624 121.322 122.820 0.210 0.000 1.972 84 A HA -0.011 4.313 4.320 0.005 0.000 0.219 84 A C 1.989 179.713 177.584 0.233 0.000 1.169 84 A CA 1.566 53.716 52.037 0.189 0.000 0.635 84 A CB -0.573 18.536 19.000 0.182 0.000 0.810 84 A HN 0.619 nan 8.150 nan 0.000 0.446 85 F N 0.817 120.816 119.950 0.082 0.000 2.270 85 F HA -0.020 4.510 4.527 0.004 0.000 0.295 85 F C 1.947 177.739 175.800 -0.013 0.000 1.087 85 F CA 1.348 59.339 58.000 -0.015 0.000 1.365 85 F CB -0.309 38.618 39.000 -0.121 0.000 1.056 85 F HN 0.311 nan 8.300 nan 0.000 0.506 86 N N 0.784 119.532 118.700 0.080 0.000 2.069 86 N HA -0.202 4.541 4.740 0.005 0.000 0.191 86 N C 1.890 177.379 175.510 -0.035 0.000 1.031 86 N CA 1.874 54.931 53.050 0.010 0.000 0.852 86 N CB -0.511 38.107 38.487 0.218 0.000 1.018 86 N HN 0.318 nan 8.380 nan 0.000 0.423 87 A N 0.206 123.047 122.820 0.034 0.000 1.877 87 A HA 0.042 4.366 4.320 0.005 0.000 0.216 87 A C 2.364 179.916 177.584 -0.054 0.000 1.186 87 A CA 2.032 54.076 52.037 0.011 0.000 0.620 87 A CB -1.299 17.732 19.000 0.051 0.000 0.822 87 A HN 0.447 nan 8.150 nan 0.000 0.443 88 A N -0.335 122.432 122.820 -0.088 0.000 1.902 88 A HA -0.045 4.278 4.320 0.005 0.000 0.217 88 A C 2.181 179.625 177.584 -0.235 0.000 1.181 88 A CA 1.489 53.456 52.037 -0.117 0.000 0.623 88 A CB -0.629 18.335 19.000 -0.060 0.000 0.818 88 A HN 0.474 nan 8.150 nan 0.000 0.443 89 L N -0.714 120.257 121.223 -0.421 0.000 2.012 89 L HA -0.213 4.131 4.340 0.005 0.000 0.210 89 L C 2.866 179.618 176.870 -0.196 0.000 1.073 89 L CA 1.993 56.600 54.840 -0.387 0.000 0.748 89 L CB -0.912 40.863 42.059 -0.473 0.000 0.891 89 L HN 0.371 nan 8.230 nan 0.000 0.431 90 T N -0.894 113.576 114.554 -0.141 0.000 2.708 90 T HA -0.151 4.202 4.350 0.005 0.000 0.266 90 T C 1.962 176.626 174.700 -0.059 0.000 1.037 90 T CA 1.389 63.442 62.100 -0.078 0.000 1.146 90 T CB -0.239 68.603 68.868 -0.043 0.000 0.865 90 T HN 0.055 nan 8.240 nan 0.000 0.435 91 V N 1.719 121.601 119.914 -0.054 0.000 2.295 91 V HA -0.154 3.970 4.120 0.005 0.000 0.246 91 V C 2.909 178.981 176.094 -0.036 0.000 1.049 91 V CA 1.687 63.968 62.300 -0.033 0.000 1.024 91 V CB -1.243 30.569 31.823 -0.017 0.000 0.648 91 V HN 0.528 nan 8.190 nan 0.000 0.447 92 A N -0.397 122.392 122.820 -0.052 0.000 1.883 92 A HA -0.257 4.067 4.320 0.005 0.000 0.217 92 A C 2.256 179.815 177.584 -0.042 0.000 1.186 92 A CA 2.347 54.358 52.037 -0.044 0.000 0.624 92 A CB -0.502 18.462 19.000 -0.059 0.000 0.822 92 A HN 0.497 nan 8.150 nan 0.000 0.444 93 M N -1.432 118.135 119.600 -0.055 0.000 2.080 93 M HA -0.177 4.306 4.480 0.005 0.000 0.260 93 M C 2.466 178.747 176.300 -0.033 0.000 1.068 93 M CA 2.079 57.353 55.300 -0.043 0.000 1.109 93 M CB -0.404 32.166 32.600 -0.050 0.000 1.342 93 M HN 0.469 nan 8.290 nan 0.000 0.405 94 R N 0.493 120.973 120.500 -0.033 0.000 2.081 94 R HA -0.146 4.197 4.340 0.005 0.000 0.235 94 R C 1.953 178.240 176.300 -0.021 0.000 1.131 94 R CA 1.404 57.489 56.100 -0.026 0.000 0.960 94 R CB -0.040 30.245 30.300 -0.024 0.000 0.856 94 R HN 0.377 nan 8.270 nan 0.000 0.436 95 E N 0.067 120.255 120.200 -0.019 0.000 2.106 95 E HA -0.143 4.210 4.350 0.005 0.000 0.192 95 E C 1.837 178.428 176.600 -0.014 0.000 0.984 95 E CA 1.191 57.582 56.400 -0.014 0.000 0.806 95 E CB -0.123 29.571 29.700 -0.010 0.000 0.750 95 E HN 0.437 nan 8.360 nan 0.000 0.458 96 A N 1.229 124.039 122.820 -0.017 0.000 2.014 96 A HA -0.105 4.219 4.320 0.005 0.000 0.218 96 A C 2.337 179.910 177.584 -0.018 0.000 1.163 96 A CA 2.000 54.027 52.037 -0.016 0.000 0.652 96 A CB -0.435 18.555 19.000 -0.017 0.000 0.808 96 A HN 0.371 nan 8.150 nan 0.000 0.449 97 T N -5.558 108.984 114.554 -0.020 0.000 3.023 97 T HA 0.394 4.747 4.350 0.005 0.000 0.249 97 T C 1.530 176.218 174.700 -0.020 0.000 1.050 97 T CA 1.146 63.233 62.100 -0.021 0.000 1.088 97 T CB -0.044 68.810 68.868 -0.023 0.000 0.946 97 T HN 1.603 nan 8.240 nan 0.000 0.480 98 G N 1.656 110.445 108.800 -0.019 0.000 2.168 98 G HA2 -0.214 3.750 3.960 0.005 0.000 0.257 98 G HA3 -0.214 3.750 3.960 0.005 0.000 0.257 98 G C -0.087 174.800 174.900 -0.021 0.000 0.997 98 G CA 0.622 45.711 45.100 -0.019 0.000 0.708 98 G HN 0.665 nan 8.290 nan 0.000 0.520 99 L N -0.113 121.096 121.223 -0.024 0.000 2.334 99 L HA 0.544 4.888 4.340 0.005 0.000 0.270 99 L C -2.073 174.779 176.870 -0.029 0.000 1.018 99 L CA -2.679 52.145 54.840 -0.028 0.000 0.811 99 L CB 1.612 43.654 42.059 -0.029 0.000 1.271 99 L HN -0.186 nan 8.230 nan 0.000 0.443 100 P HA 0.111 nan 4.420 nan 0.000 0.271 100 P C -1.139 176.139 177.300 -0.037 0.000 1.220 100 P CA -0.231 62.849 63.100 -0.034 0.000 0.768 100 P CB 0.522 32.199 31.700 -0.039 0.000 0.848 101 C N 1.931 121.209 119.300 -0.035 0.000 2.779 101 C HA 0.872 5.335 4.460 0.005 0.000 0.314 101 C C 0.351 175.320 174.990 -0.035 0.000 1.231 101 C CA -0.043 58.952 59.018 -0.038 0.000 1.652 101 C CB 2.147 29.863 27.740 -0.039 0.000 2.198 101 C HN 0.590 nan 8.230 nan 0.000 0.483 102 T N -0.173 114.359 114.554 -0.037 0.000 2.665 102 T HA 0.829 5.182 4.350 0.005 0.000 0.303 102 T C -1.125 173.560 174.700 -0.025 0.000 1.334 102 T CA 0.053 62.139 62.100 -0.023 0.000 1.011 102 T CB 1.678 70.534 68.868 -0.021 0.000 1.573 102 T HN 1.078 nan 8.240 nan 0.000 0.492 103 T N -0.714 113.841 114.554 0.001 0.000 2.864 103 T HA 0.436 4.790 4.350 0.005 0.000 0.299 103 T C 1.194 175.916 174.700 0.036 0.000 1.166 103 T CA -0.580 61.517 62.100 -0.004 0.000 1.007 103 T CB 1.381 70.240 68.868 -0.016 0.000 1.219 103 T HN 0.680 nan 8.240 nan 0.000 0.506 104 M N 1.164 120.782 119.600 0.030 0.000 2.213 104 M HA -0.064 4.420 4.480 0.005 0.000 0.263 104 M C 1.940 178.320 176.300 0.134 0.000 1.062 104 M CA 1.719 57.067 55.300 0.080 0.000 1.105 104 M CB -0.427 32.213 32.600 0.067 0.000 1.385 104 M HN 0.759 nan 8.290 nan 0.000 0.417 105 S N -0.347 115.416 115.700 0.105 0.000 2.383 105 S HA -0.114 4.359 4.470 0.005 0.000 0.227 105 S C 1.701 176.461 174.600 0.266 0.000 1.026 105 S CA 1.766 60.044 58.200 0.130 0.000 0.981 105 S CB -0.341 62.777 63.200 -0.138 0.000 0.818 105 S HN 0.559 nan 8.310 nan 0.000 0.472 106 T N 2.296 116.981 114.554 0.217 0.000 2.788 106 T HA -0.016 4.337 4.350 0.005 0.000 0.268 106 T C 2.123 176.954 174.700 0.218 0.000 1.044 106 T CA 1.125 63.356 62.100 0.217 0.000 1.139 106 T CB -0.426 68.526 68.868 0.139 0.000 0.867 106 T HN 0.448 nan 8.240 nan 0.000 0.454 107 A N 0.966 123.913 122.820 0.212 0.000 1.883 107 A HA -0.075 4.248 4.320 0.005 0.000 0.217 107 A C 2.576 180.369 177.584 0.348 0.000 1.186 107 A CA 1.461 53.673 52.037 0.292 0.000 0.624 107 A CB -1.072 18.093 19.000 0.274 0.000 0.822 107 A HN 0.352 nan 8.150 nan 0.000 0.444 108 V N 0.177 120.257 119.914 0.277 0.000 2.295 108 V HA -0.269 3.855 4.120 0.005 0.000 0.246 108 V C 2.595 178.820 176.094 0.218 0.000 1.049 108 V CA 2.006 64.447 62.300 0.235 0.000 1.024 108 V CB -0.760 31.198 31.823 0.225 0.000 0.648 108 V HN 0.582 nan 8.190 nan 0.000 0.447 109 L N 0.126 121.497 121.223 0.247 0.000 2.012 109 L HA -0.223 4.120 4.340 0.005 0.000 0.210 109 L C 2.477 179.454 176.870 0.179 0.000 1.073 109 L CA 1.720 56.673 54.840 0.188 0.000 0.748 109 L CB -0.827 41.340 42.059 0.180 0.000 0.891 109 L HN 0.393 nan 8.230 nan 0.000 0.431 110 N N 0.336 119.183 118.700 0.246 0.000 2.166 110 N HA -0.131 4.612 4.740 0.005 0.000 0.186 110 N C 1.817 177.554 175.510 0.378 0.000 1.019 110 N CA 1.524 54.761 53.050 0.312 0.000 0.856 110 N CB -0.590 38.108 38.487 0.351 0.000 0.993 110 N HN 0.361 nan 8.380 nan 0.000 0.426 111 G N 0.861 109.848 108.800 0.312 0.000 2.402 111 G HA2 -0.143 3.820 3.960 0.005 0.000 0.216 111 G HA3 -0.143 3.820 3.960 0.005 0.000 0.216 111 G C 1.442 176.315 174.900 -0.045 0.000 1.162 111 G CA 0.266 45.345 45.100 -0.035 0.000 0.777 111 G HN 0.127 nan 8.290 nan 0.000 0.539 112 L N 0.744 121.980 121.223 0.021 0.000 2.046 112 L HA 0.042 4.385 4.340 0.005 0.000 0.208 112 L C 2.963 179.844 176.870 0.017 0.000 1.077 112 L CA 1.347 56.190 54.840 0.005 0.000 0.747 112 L CB -1.078 41.000 42.059 0.030 0.000 0.896 112 L HN 0.216 nan 8.230 nan 0.000 0.432 113 R N -0.776 119.757 120.500 0.054 0.000 2.081 113 R HA -0.129 4.214 4.340 0.005 0.000 0.235 113 R C 2.206 178.541 176.300 0.059 0.000 1.131 113 R CA 1.369 57.503 56.100 0.057 0.000 0.960 113 R CB -0.577 29.770 30.300 0.078 0.000 0.856 113 R HN 0.364 nan 8.270 nan 0.000 0.436 114 A N 0.843 123.715 122.820 0.086 0.000 2.019 114 A HA -0.084 4.239 4.320 0.005 0.000 0.219 114 A C 1.951 179.544 177.584 0.016 0.000 1.164 114 A CA 1.133 53.223 52.037 0.088 0.000 0.644 114 A CB -0.279 18.817 19.000 0.159 0.000 0.805 114 A HN 0.205 nan 8.150 nan 0.000 0.449 115 L N -1.616 119.590 121.223 -0.029 0.000 2.592 115 L HA 0.242 4.585 4.340 0.005 0.000 0.227 115 L C 1.604 178.457 176.870 -0.029 0.000 1.127 115 L CA 0.501 55.308 54.840 -0.055 0.000 0.884 115 L CB 0.037 42.032 42.059 -0.107 0.000 1.065 115 L HN 0.545 nan 8.230 nan 0.000 0.457 116 G N 0.280 109.076 108.800 -0.007 0.000 2.143 116 G HA2 -0.245 3.718 3.960 0.005 0.000 0.249 116 G HA3 -0.245 3.718 3.960 0.005 0.000 0.249 116 G C 0.219 175.118 174.900 -0.001 0.000 0.981 116 G CA 0.041 45.141 45.100 0.000 0.000 0.665 116 G HN 0.097 nan 8.290 nan 0.000 0.528 117 V N 1.491 121.402 119.914 -0.006 0.000 2.508 117 V HA 0.410 4.533 4.120 0.005 0.000 0.281 117 V C 1.497 177.594 176.094 0.005 0.000 1.041 117 V CA 0.750 63.049 62.300 -0.002 0.000 1.016 117 V CB 1.097 32.914 31.823 -0.010 0.000 0.984 117 V HN 0.561 nan 8.190 nan 0.000 0.478 118 R N 3.635 124.140 120.500 0.009 0.000 2.521 118 R HA 0.330 4.674 4.340 0.005 0.000 0.289 118 R C 0.262 176.567 176.300 0.009 0.000 0.936 118 R CA -0.411 55.693 56.100 0.006 0.000 1.089 118 R CB 0.693 30.995 30.300 0.003 0.000 1.348 118 R HN 0.462 nan 8.270 nan 0.000 0.536 119 R N 1.703 122.215 120.500 0.019 0.000 2.272 119 R HA 0.373 4.716 4.340 0.005 0.000 0.323 119 R C -1.326 174.997 176.300 0.038 0.000 1.002 119 R CA -0.371 55.743 56.100 0.024 0.000 0.900 119 R CB 2.503 32.819 30.300 0.027 0.000 1.151 119 R HN -0.130 nan 8.270 nan 0.000 0.507 120 V N 2.673 122.606 119.914 0.032 0.000 2.409 120 V HA 0.632 4.755 4.120 0.005 0.000 0.291 120 V C -0.376 175.746 176.094 0.047 0.000 1.020 120 V CA -0.549 61.775 62.300 0.040 0.000 0.848 120 V CB 1.578 33.416 31.823 0.026 0.000 0.990 120 V HN 0.842 nan 8.190 nan 0.000 0.430 121 A N 7.544 130.409 122.820 0.074 0.000 2.331 121 A HA 0.757 5.081 4.320 0.005 0.000 0.283 121 A C -0.539 177.079 177.584 0.056 0.000 1.142 121 A CA -0.478 51.605 52.037 0.076 0.000 0.812 121 A CB 0.369 19.453 19.000 0.140 0.000 1.074 121 A HN 0.878 nan 8.150 nan 0.000 0.497 122 L N 1.713 122.962 121.223 0.043 0.000 2.309 122 L HA 0.661 5.004 4.340 0.005 0.000 0.282 122 L C 0.345 177.232 176.870 0.028 0.000 1.036 122 L CA -0.451 54.410 54.840 0.035 0.000 0.806 122 L CB 1.751 43.833 42.059 0.038 0.000 1.220 122 L HN 0.744 nan 8.230 nan 0.000 0.429 123 A N 2.091 124.917 122.820 0.010 0.000 2.363 123 A HA 0.712 5.035 4.320 0.005 0.000 0.296 123 A C -0.170 177.379 177.584 -0.059 0.000 1.237 123 A CA -0.398 51.633 52.037 -0.010 0.000 0.773 123 A CB 1.147 20.144 19.000 -0.005 0.000 1.153 123 A HN 0.733 nan 8.150 nan 0.000 0.473 124 T N -1.670 112.831 114.554 -0.089 0.000 2.864 124 T HA 0.733 5.086 4.350 0.005 0.000 0.289 124 T C 0.187 174.739 174.700 -0.246 0.000 1.082 124 T CA 0.035 61.989 62.100 -0.243 0.000 1.009 124 T CB 1.855 70.561 68.868 -0.268 0.000 1.234 124 T HN 1.370 nan 8.240 nan 0.000 0.526 125 A N 0.394 122.954 122.820 -0.433 0.000 2.630 125 A HA 0.565 4.888 4.320 0.005 0.000 0.290 125 A C -0.642 176.861 177.584 -0.134 0.000 1.267 125 A CA -0.581 51.318 52.037 -0.231 0.000 0.950 125 A CB -0.583 18.306 19.000 -0.184 0.000 1.144 125 A HN 0.661 nan 8.150 nan 0.000 0.527 126 Y N -0.069 120.265 120.300 0.057 0.000 2.458 126 Y HA 0.583 5.135 4.550 0.004 0.000 0.322 126 Y C 0.866 176.796 175.900 0.051 0.000 1.259 126 Y CA -1.959 56.180 58.100 0.065 0.000 1.302 126 Y CB 0.386 38.914 38.460 0.113 0.000 1.314 126 Y HN 0.345 nan 8.280 nan 0.000 0.509 127 I N -1.489 119.222 120.570 0.234 0.000 3.021 127 I HA 0.252 4.425 4.170 0.005 0.000 0.303 127 I C 0.529 176.727 176.117 0.135 0.000 1.044 127 I CA -0.612 60.769 61.300 0.135 0.000 1.266 127 I CB 0.735 38.789 38.000 0.089 0.000 1.447 127 I HN 0.456 nan 8.210 nan 0.000 0.593 128 D N 1.765 122.222 120.400 0.094 0.000 2.126 128 D HA -0.250 4.393 4.640 0.005 0.000 0.190 128 D C 1.491 177.844 176.300 0.087 0.000 1.001 128 D CA 2.358 56.409 54.000 0.084 0.000 0.841 128 D CB -0.335 40.500 40.800 0.059 0.000 0.949 128 D HN 0.862 nan 8.370 nan 0.000 0.446 129 D N -0.286 120.159 120.400 0.075 0.000 2.123 129 D HA -0.121 4.522 4.640 0.005 0.000 0.196 129 D C 2.017 178.374 176.300 0.094 0.000 0.992 129 D CA 0.789 54.832 54.000 0.072 0.000 0.833 129 D CB 0.172 41.005 40.800 0.056 0.000 0.954 129 D HN -0.020 nan 8.370 nan 0.000 0.455 130 V N 0.722 120.694 119.914 0.096 0.000 2.307 130 V HA -0.191 3.932 4.120 0.005 0.000 0.245 130 V C 2.097 178.288 176.094 0.161 0.000 1.045 130 V CA 1.555 63.916 62.300 0.102 0.000 1.024 130 V CB -0.634 31.181 31.823 -0.014 0.000 0.651 130 V HN 0.302 nan 8.190 nan 0.000 0.449 131 N N 0.352 119.164 118.700 0.187 0.000 2.149 131 N HA -0.199 4.544 4.740 0.005 0.000 0.188 131 N C 1.812 177.381 175.510 0.099 0.000 1.019 131 N CA 1.523 54.678 53.050 0.176 0.000 0.857 131 N CB -0.227 38.360 38.487 0.167 0.000 0.997 131 N HN 0.622 nan 8.380 nan 0.000 0.426 132 E N 0.533 120.792 120.200 0.098 0.000 2.106 132 E HA -0.060 4.293 4.350 0.005 0.000 0.192 132 E C 2.072 178.726 176.600 0.091 0.000 0.984 132 E CA 0.741 57.188 56.400 0.078 0.000 0.806 132 E CB 0.014 29.756 29.700 0.070 0.000 0.750 132 E HN 0.308 nan 8.360 nan 0.000 0.458 133 R N 0.249 120.833 120.500 0.139 0.000 2.092 133 R HA -0.118 4.225 4.340 0.005 0.000 0.231 133 R C 2.385 178.787 176.300 0.169 0.000 1.119 133 R CA 0.760 56.983 56.100 0.206 0.000 0.970 133 R CB -0.303 30.179 30.300 0.304 0.000 0.864 133 R HN 0.114 nan 8.270 nan 0.000 0.440 134 L N 0.802 121.993 121.223 -0.052 0.000 2.017 134 L HA -0.096 4.247 4.340 0.005 0.000 0.208 134 L C 2.230 179.026 176.870 -0.123 0.000 1.073 134 L CA 2.082 56.606 54.840 -0.527 0.000 0.745 134 L CB -0.782 40.873 42.059 -0.673 0.000 0.894 134 L HN 0.137 nan 8.230 nan 0.000 0.432 135 A N -0.394 122.407 122.820 -0.033 0.000 1.908 135 A HA -0.156 4.168 4.320 0.005 0.000 0.218 135 A C 2.456 180.063 177.584 0.037 0.000 1.181 135 A CA 2.073 54.116 52.037 0.010 0.000 0.627 135 A CB -1.257 17.756 19.000 0.022 0.000 0.818 135 A HN 0.627 nan 8.150 nan 0.000 0.445 136 A N -1.208 121.653 122.820 0.068 0.000 1.902 136 A HA -0.042 4.281 4.320 0.005 0.000 0.217 136 A C 2.057 179.707 177.584 0.109 0.000 1.181 136 A CA 1.601 53.687 52.037 0.082 0.000 0.623 136 A CB -0.730 18.329 19.000 0.099 0.000 0.818 136 A HN 0.741 nan 8.150 nan 0.000 0.443 137 F N 0.610 120.567 119.950 0.013 0.000 2.134 137 F HA -0.148 4.383 4.527 0.007 0.000 0.299 137 F C 1.833 177.637 175.800 0.007 0.000 1.097 137 F CA 1.870 59.889 58.000 0.032 0.000 1.264 137 F CB -0.234 38.802 39.000 0.061 0.000 1.001 137 F HN 0.140 nan 8.300 nan 0.000 0.479 138 L N -0.150 121.054 121.223 -0.031 0.000 2.109 138 L HA -0.087 4.256 4.340 0.005 0.000 0.207 138 L C 2.810 179.603 176.870 -0.129 0.000 1.086 138 L CA 0.929 55.691 54.840 -0.129 0.000 0.760 138 L CB -1.207 40.848 42.059 -0.006 0.000 0.910 138 L HN 0.218 nan 8.230 nan 0.000 0.437 139 A N -0.028 122.752 122.820 -0.067 0.000 1.940 139 A HA -0.239 4.084 4.320 0.005 0.000 0.219 139 A C 2.170 179.706 177.584 -0.079 0.000 1.176 139 A CA 1.721 53.726 52.037 -0.053 0.000 0.631 139 A CB -0.432 18.557 19.000 -0.019 0.000 0.814 139 A HN 0.462 nan 8.150 nan 0.000 0.446 140 E N -0.540 119.589 120.200 -0.117 0.000 2.347 140 E HA -0.094 4.259 4.350 0.005 0.000 0.196 140 E C 0.670 177.171 176.600 -0.166 0.000 1.008 140 E CA 0.669 56.996 56.400 -0.122 0.000 0.852 140 E CB 0.062 29.685 29.700 -0.128 0.000 0.783 140 E HN 0.546 nan 8.360 nan 0.000 0.505 141 E N 0.011 120.070 120.200 -0.235 0.000 2.499 141 E HA 0.115 4.469 4.350 0.005 0.000 0.199 141 E C -0.244 176.283 176.600 -0.121 0.000 1.016 141 E CA -0.166 56.103 56.400 -0.219 0.000 0.933 141 E CB 0.938 30.422 29.700 -0.362 0.000 1.050 141 E HN -0.068 nan 8.360 nan 0.000 0.462 142 S N 0.314 115.961 115.700 -0.089 0.000 3.812 142 S HA -0.170 4.303 4.470 0.005 0.000 0.341 142 S C 0.045 174.620 174.600 -0.042 0.000 1.057 142 S CA 0.435 58.604 58.200 -0.052 0.000 1.015 142 S CB -1.507 61.670 63.200 -0.038 0.000 0.893 142 S HN 0.289 nan 8.310 nan 0.000 0.476 143 L N 0.052 121.245 121.223 -0.049 0.000 2.323 143 L HA 0.733 5.076 4.340 0.005 0.000 0.265 143 L C 0.056 176.913 176.870 -0.022 0.000 1.012 143 L CA -1.140 53.683 54.840 -0.029 0.000 0.820 143 L CB 1.829 43.872 42.059 -0.027 0.000 1.334 143 L HN 0.016 nan 8.230 nan 0.000 0.427 144 V N 1.928 121.837 119.914 -0.009 0.000 2.311 144 V HA 0.296 4.419 4.120 0.005 0.000 0.275 144 V C -2.312 173.784 176.094 0.002 0.000 1.022 144 V CA -1.726 60.572 62.300 -0.005 0.000 0.830 144 V CB 0.964 32.786 31.823 -0.002 0.000 1.012 144 V HN 0.537 nan 8.190 nan 0.000 0.452 145 P HA 0.206 nan 4.420 nan 0.000 0.276 145 P C 0.917 178.222 177.300 0.009 0.000 1.264 145 P CA -0.055 63.051 63.100 0.009 0.000 0.769 145 P CB 0.839 32.545 31.700 0.010 0.000 0.840 146 T N 0.306 114.867 114.554 0.012 0.000 3.081 146 T HA 0.452 4.805 4.350 0.005 0.000 0.250 146 T C 0.756 175.454 174.700 -0.002 0.000 1.100 146 T CA 0.292 62.394 62.100 0.002 0.000 1.038 146 T CB -0.262 68.606 68.868 -0.000 0.000 0.962 146 T HN 0.567 nan 8.240 nan 0.000 0.516 147 G N -0.856 107.949 108.800 0.009 0.000 2.320 147 G HA2 0.413 4.377 3.960 0.005 0.000 0.297 147 G HA3 0.413 4.377 3.960 0.005 0.000 0.297 147 G C -1.892 173.021 174.900 0.021 0.000 1.344 147 G CA -0.282 44.823 45.100 0.008 0.000 0.851 147 G HN 0.604 nan 8.290 nan 0.000 0.567 148 C N 0.007 119.321 119.300 0.023 0.000 2.891 148 C HA 0.901 5.364 4.460 0.005 0.000 0.342 148 C C -0.527 174.479 174.990 0.027 0.000 1.126 148 C CA -0.728 58.309 59.018 0.031 0.000 1.322 148 C CB 1.427 29.193 27.740 0.043 0.000 1.763 148 C HN 1.168 nan 8.230 nan 0.000 0.491 149 R N 3.051 123.566 120.500 0.025 0.000 2.621 149 R HA 0.826 5.169 4.340 0.005 0.000 0.292 149 R C -0.983 175.324 176.300 0.011 0.000 0.969 149 R CA 0.051 56.162 56.100 0.019 0.000 0.887 149 R CB 1.939 32.250 30.300 0.018 0.000 1.180 149 R HN 0.835 nan 8.270 nan 0.000 0.450 150 S N 3.714 119.420 115.700 0.011 0.000 2.566 150 S HA 0.391 4.864 4.470 0.005 0.000 0.298 150 S C 0.911 175.507 174.600 -0.006 0.000 1.083 150 S CA -0.819 57.380 58.200 -0.001 0.000 0.978 150 S CB 1.536 64.749 63.200 0.022 0.000 1.073 150 S HN 0.643 nan 8.310 nan 0.000 0.491 151 L N 1.632 122.842 121.223 -0.022 0.000 2.131 151 L HA 0.053 4.396 4.340 0.005 0.000 0.210 151 L C 1.781 178.648 176.870 -0.004 0.000 1.092 151 L CA 1.041 55.871 54.840 -0.017 0.000 0.759 151 L CB -0.743 41.298 42.059 -0.030 0.000 0.903 151 L HN 1.107 nan 8.230 nan 0.000 0.435 152 G N 1.255 110.056 108.800 0.003 0.000 2.221 152 G HA2 -0.286 3.678 3.960 0.005 0.000 0.265 152 G HA3 -0.286 3.678 3.960 0.005 0.000 0.265 152 G C 0.154 175.060 174.900 0.011 0.000 1.041 152 G CA 0.598 45.706 45.100 0.013 0.000 0.807 152 G HN 0.509 nan 8.290 nan 0.000 0.502 153 I N -2.143 118.431 120.570 0.007 0.000 2.648 153 I HA 0.978 5.151 4.170 0.005 0.000 0.304 153 I C 0.200 176.323 176.117 0.010 0.000 1.009 153 I CA -0.422 60.881 61.300 0.005 0.000 1.114 153 I CB 2.555 40.555 38.000 -0.001 0.000 1.293 153 I HN 0.273 nan 8.210 nan 0.000 0.449 154 T N 0.257 114.816 114.554 0.009 0.000 2.864 154 T HA 0.812 5.165 4.350 0.005 0.000 0.299 154 T C -0.082 174.622 174.700 0.006 0.000 1.166 154 T CA -0.347 61.759 62.100 0.010 0.000 1.007 154 T CB 1.199 70.075 68.868 0.013 0.000 1.219 154 T HN 2.019 nan 8.240 nan 0.000 0.506 155 G N -0.175 108.628 108.800 0.005 0.000 2.721 155 G HA2 0.017 3.980 3.960 0.005 0.000 0.686 155 G HA3 0.017 3.980 3.960 0.005 0.000 0.686 155 G C 0.475 175.376 174.900 0.001 0.000 1.236 155 G CA -0.099 45.002 45.100 0.002 0.000 0.786 155 G HN 1.827 nan 8.290 nan 0.000 0.616 156 V N -0.740 119.174 119.914 0.000 0.000 2.469 156 V HA -0.135 3.988 4.120 0.005 0.000 0.251 156 V C 2.520 178.614 176.094 -0.001 0.000 1.064 156 V CA 2.557 64.857 62.300 -0.001 0.000 1.066 156 V CB -0.526 31.296 31.823 -0.001 0.000 0.667 156 V HN 0.871 nan 8.190 nan 0.000 0.461 157 E N 1.600 121.799 120.200 -0.001 0.000 2.058 157 E HA -0.212 4.141 4.350 0.005 0.000 0.194 157 E C 2.212 178.811 176.600 -0.001 0.000 0.997 157 E CA 2.170 58.569 56.400 -0.001 0.000 0.801 157 E CB -0.460 29.240 29.700 -0.000 0.000 0.746 157 E HN 0.600 nan 8.360 nan 0.000 0.450 158 A N 0.614 123.433 122.820 -0.001 0.000 1.929 158 A HA -0.071 4.252 4.320 0.005 0.000 0.216 158 A C 2.280 179.862 177.584 -0.004 0.000 1.176 158 A CA 1.437 53.474 52.037 -0.002 0.000 0.628 158 A CB -0.354 18.645 19.000 -0.000 0.000 0.816 158 A HN 0.225 nan 8.150 nan 0.000 0.444 159 M N -0.280 119.318 119.600 -0.004 0.000 2.159 159 M HA -0.107 4.376 4.480 0.005 0.000 0.263 159 M C 2.496 178.792 176.300 -0.006 0.000 1.063 159 M CA 1.547 56.843 55.300 -0.006 0.000 1.110 159 M CB -1.325 31.272 32.600 -0.004 0.000 1.374 159 M HN 0.486 nan 8.290 nan 0.000 0.411 160 A N -0.045 122.772 122.820 -0.005 0.000 1.972 160 A HA -0.154 4.169 4.320 0.005 0.000 0.219 160 A C 2.281 179.862 177.584 -0.005 0.000 1.169 160 A CA 1.456 53.490 52.037 -0.005 0.000 0.635 160 A CB -0.632 18.366 19.000 -0.004 0.000 0.810 160 A HN 0.452 nan 8.150 nan 0.000 0.446 161 R N -0.705 119.793 120.500 -0.005 0.000 2.299 161 R HA 0.112 4.455 4.340 0.005 0.000 0.197 161 R C -0.258 176.038 176.300 -0.005 0.000 0.971 161 R CA -0.073 56.025 56.100 -0.004 0.000 1.030 161 R CB -0.072 30.226 30.300 -0.003 0.000 0.932 161 R HN 0.333 nan 8.270 nan 0.000 0.477 162 V N 2.977 122.887 119.914 -0.007 0.000 2.572 162 V HA -0.027 4.096 4.120 0.005 0.000 0.291 162 V C 0.033 176.122 176.094 -0.008 0.000 1.039 162 V CA -0.004 62.291 62.300 -0.009 0.000 1.055 162 V CB 0.883 32.698 31.823 -0.013 0.000 0.969 162 V HN 0.292 nan 8.190 nan 0.000 0.482 163 D N 2.147 122.543 120.400 -0.007 0.000 2.553 163 D HA 0.329 4.972 4.640 0.005 0.000 0.249 163 D C 0.931 177.229 176.300 -0.005 0.000 1.062 163 D CA -0.512 53.485 54.000 -0.005 0.000 1.085 163 D CB 0.933 41.731 40.800 -0.004 0.000 1.350 163 D HN 0.244 nan 8.370 nan 0.000 0.575 164 T N -0.196 114.356 114.554 -0.002 0.000 2.624 164 T HA -0.196 4.157 4.350 0.005 0.000 0.268 164 T C 1.918 176.617 174.700 -0.001 0.000 1.041 164 T CA 2.697 64.797 62.100 0.001 0.000 1.159 164 T CB -0.739 68.133 68.868 0.007 0.000 0.863 164 T HN 0.612 nan 8.240 nan 0.000 0.434 165 A N 1.252 124.071 122.820 -0.002 0.000 1.927 165 A HA -0.214 4.109 4.320 0.005 0.000 0.220 165 A C 2.562 180.145 177.584 -0.003 0.000 1.185 165 A CA 2.461 54.497 52.037 -0.002 0.000 0.639 165 A CB -1.445 17.554 19.000 -0.002 0.000 0.820 165 A HN 0.530 nan 8.150 nan 0.000 0.451 166 T N 0.320 114.871 114.554 -0.004 0.000 2.720 166 T HA -0.124 4.229 4.350 0.005 0.000 0.268 166 T C 1.760 176.456 174.700 -0.007 0.000 1.037 166 T CA 1.633 63.730 62.100 -0.005 0.000 1.144 166 T CB -0.360 68.504 68.868 -0.007 0.000 0.864 166 T HN 0.402 nan 8.240 nan 0.000 0.444 167 L N 0.381 121.599 121.223 -0.009 0.000 2.179 167 L HA 0.008 4.351 4.340 0.005 0.000 0.208 167 L C 2.632 179.497 176.870 -0.009 0.000 1.096 167 L CA 0.470 55.303 54.840 -0.012 0.000 0.779 167 L CB -0.502 41.550 42.059 -0.013 0.000 0.922 167 L HN 0.126 nan 8.230 nan 0.000 0.443 168 V N -0.106 119.804 119.914 -0.006 0.000 2.295 168 V HA -0.279 3.844 4.120 0.005 0.000 0.246 168 V C 2.098 178.192 176.094 -0.001 0.000 1.049 168 V CA 1.895 64.191 62.300 -0.007 0.000 1.024 168 V CB -0.459 31.359 31.823 -0.008 0.000 0.648 168 V HN 0.413 nan 8.190 nan 0.000 0.447 169 D N -0.143 120.258 120.400 0.002 0.000 2.117 169 D HA -0.161 4.483 4.640 0.005 0.000 0.197 169 D C 1.978 178.285 176.300 0.012 0.000 0.987 169 D CA 1.144 55.149 54.000 0.008 0.000 0.829 169 D CB -0.394 40.410 40.800 0.006 0.000 0.961 169 D HN 0.327 nan 8.370 nan 0.000 0.460 170 L N 0.652 121.879 121.223 0.006 0.000 2.013 170 L HA -0.224 4.119 4.340 0.005 0.000 0.212 170 L C 2.245 179.126 176.870 0.018 0.000 1.073 170 L CA 1.722 56.566 54.840 0.006 0.000 0.753 170 L CB -0.496 41.559 42.059 -0.007 0.000 0.890 170 L HN 0.075 nan 8.230 nan 0.000 0.432 171 C N -2.065 117.243 119.300 0.014 0.000 2.440 171 C HA -0.075 4.388 4.460 0.005 0.000 0.278 171 C C 2.694 177.722 174.990 0.065 0.000 1.295 171 C CA 0.686 59.719 59.018 0.025 0.000 1.738 171 C CB -0.785 26.952 27.740 -0.006 0.000 1.987 171 C HN 0.499 nan 8.230 nan 0.000 0.492 172 V N 0.773 120.719 119.914 0.054 0.000 2.358 172 V HA -0.176 3.948 4.120 0.005 0.000 0.246 172 V C 2.638 178.801 176.094 0.115 0.000 1.047 172 V CA 1.800 64.156 62.300 0.093 0.000 1.035 172 V CB -0.610 31.247 31.823 0.056 0.000 0.658 172 V HN 0.357 nan 8.190 nan 0.000 0.452 173 R N 0.633 121.173 120.500 0.068 0.000 2.094 173 R HA -0.163 4.180 4.340 0.005 0.000 0.239 173 R C 2.337 178.670 176.300 0.055 0.000 1.137 173 R CA 1.914 58.044 56.100 0.049 0.000 0.943 173 R CB -1.153 29.165 30.300 0.030 0.000 0.850 173 R HN 0.535 nan 8.270 nan 0.000 0.433 174 A N -0.834 122.028 122.820 0.070 0.000 1.933 174 A HA -0.164 4.160 4.320 0.005 0.000 0.218 174 A C 2.162 179.808 177.584 0.104 0.000 1.175 174 A CA 1.352 53.431 52.037 0.070 0.000 0.628 174 A CB -0.700 18.342 19.000 0.071 0.000 0.814 174 A HN 0.425 nan 8.150 nan 0.000 0.444 175 F N 0.652 120.595 119.950 -0.011 0.000 2.163 175 F HA -0.092 4.432 4.527 -0.005 0.000 0.297 175 F C 2.243 178.037 175.800 -0.009 0.000 1.094 175 F CA 1.811 59.804 58.000 -0.011 0.000 1.290 175 F CB -0.069 38.923 39.000 -0.014 0.000 1.017 175 F HN 0.316 nan 8.300 nan 0.000 0.483 176 E N 0.277 120.465 120.200 -0.021 0.000 2.118 176 E HA -0.241 4.112 4.350 0.005 0.000 0.195 176 E C 2.206 178.714 176.600 -0.153 0.000 0.992 176 E CA 1.041 57.378 56.400 -0.105 0.000 0.804 176 E CB -0.350 29.345 29.700 -0.009 0.000 0.741 176 E HN 0.510 nan 8.360 nan 0.000 0.458 177 A N 0.691 123.449 122.820 -0.104 0.000 2.067 177 A HA 0.189 4.512 4.320 0.005 0.000 0.217 177 A C 1.532 179.043 177.584 -0.122 0.000 1.156 177 A CA 1.066 53.051 52.037 -0.085 0.000 0.683 177 A CB 0.250 19.227 19.000 -0.039 0.000 0.808 177 A HN 0.176 nan 8.150 nan 0.000 0.455 178 A N -0.309 122.394 122.820 -0.195 0.000 3.317 178 A HA 0.562 4.886 4.320 0.005 0.000 0.307 178 A C -1.735 175.615 177.584 -0.391 0.000 1.003 178 A CA -0.728 51.193 52.037 -0.194 0.000 0.882 178 A CB 0.434 19.379 19.000 -0.092 0.000 1.136 178 A HN 0.165 nan 8.150 nan 0.000 0.488 179 P HA -0.127 nan 4.420 nan 0.000 0.230 179 P C 0.376 177.435 177.300 -0.401 0.000 1.158 179 P CA 1.036 63.717 63.100 -0.699 0.000 0.769 179 P CB 0.107 31.565 31.700 -0.403 0.000 0.807 180 D N -1.035 119.243 120.400 -0.204 0.000 2.363 180 D HA -0.018 4.625 4.640 0.005 0.000 0.226 180 D C 0.216 176.520 176.300 0.007 0.000 1.020 180 D CA 0.144 54.102 54.000 -0.070 0.000 0.892 180 D CB -0.502 40.267 40.800 -0.052 0.000 0.900 180 D HN 0.019 nan 8.370 nan 0.000 0.531 181 S N 1.027 116.748 115.700 0.034 0.000 2.564 181 S HA 0.031 4.504 4.470 0.005 0.000 0.278 181 S C 0.599 175.339 174.600 0.234 0.000 1.333 181 S CA -0.487 57.805 58.200 0.153 0.000 1.048 181 S CB 1.579 64.919 63.200 0.234 0.000 0.900 181 S HN 0.051 nan 8.310 nan 0.000 0.505 182 D N 1.189 121.665 120.400 0.126 0.000 2.323 182 D HA 0.242 4.886 4.640 0.005 0.000 0.209 182 D C 0.919 177.243 176.300 0.039 0.000 0.973 182 D CA 0.726 54.771 54.000 0.076 0.000 0.874 182 D CB 0.226 41.049 40.800 0.037 0.000 0.930 182 D HN 0.707 nan 8.370 nan 0.000 0.521 183 G N -0.667 108.164 108.800 0.051 0.000 2.368 183 G HA2 0.448 4.411 3.960 0.005 0.000 0.293 183 G HA3 0.448 4.411 3.960 0.005 0.000 0.293 183 G C -1.708 173.200 174.900 0.014 0.000 1.467 183 G CA -0.832 44.259 45.100 -0.016 0.000 0.804 183 G HN 0.001 nan 8.290 nan 0.000 0.535 184 I N 0.303 120.858 120.570 -0.026 0.000 2.465 184 I HA 0.426 4.599 4.170 0.005 0.000 0.291 184 I C -0.844 175.264 176.117 -0.015 0.000 1.014 184 I CA -0.919 60.380 61.300 -0.002 0.000 1.093 184 I CB 2.128 40.116 38.000 -0.021 0.000 1.267 184 I HN 0.390 nan 8.210 nan 0.000 0.431 185 L N 7.650 128.877 121.223 0.007 0.000 2.262 185 L HA 0.455 4.798 4.340 0.005 0.000 0.288 185 L C -0.990 175.885 176.870 0.009 0.000 1.035 185 L CA -0.396 54.451 54.840 0.011 0.000 0.820 185 L CB 1.115 43.193 42.059 0.031 0.000 1.204 185 L HN 0.477 nan 8.230 nan 0.000 0.424 186 L N 4.750 125.973 121.223 -0.000 0.000 2.268 186 L HA 0.473 4.816 4.340 0.005 0.000 0.289 186 L C -0.088 176.781 176.870 -0.002 0.000 1.064 186 L CA 0.602 55.435 54.840 -0.011 0.000 0.824 186 L CB 0.920 42.971 42.059 -0.014 0.000 1.202 186 L HN 0.715 nan 8.230 nan 0.000 0.433 187 S N 4.878 120.554 115.700 -0.041 0.000 2.406 187 S HA 0.366 4.839 4.470 0.005 0.000 0.224 187 S C -0.738 173.697 174.600 -0.276 0.000 1.426 187 S CA -0.451 57.725 58.200 -0.040 0.000 1.179 187 S CB -0.107 63.166 63.200 0.122 0.000 1.042 187 S HN 0.734 nan 8.310 nan 0.000 0.479 188 C N 4.273 123.480 119.300 -0.154 0.000 2.955 188 C HA 0.512 4.975 4.460 0.005 0.000 0.262 188 C C 1.310 176.248 174.990 -0.086 0.000 1.279 188 C CA -1.064 57.846 59.018 -0.180 0.000 1.615 188 C CB -0.998 26.679 27.740 -0.106 0.000 1.755 188 C HN 0.942 nan 8.230 nan 0.000 0.452 189 G N 0.814 109.574 108.800 -0.067 0.000 2.150 189 G HA2 0.371 4.334 3.960 0.005 0.000 0.250 189 G HA3 0.371 4.334 3.960 0.005 0.000 0.250 189 G C 1.141 176.054 174.900 0.023 0.000 1.179 189 G CA 1.117 46.248 45.100 0.051 0.000 0.934 189 G HN 1.616 nan 8.290 nan 0.000 0.453 190 G N 1.210 110.026 108.800 0.027 0.000 2.175 190 G HA2 -0.232 3.732 3.960 0.005 0.000 0.244 190 G HA3 -0.232 3.732 3.960 0.005 0.000 0.244 190 G C 0.330 175.230 174.900 0.000 0.000 0.982 190 G CA 0.444 45.552 45.100 0.014 0.000 0.641 190 G HN 0.808 nan 8.290 nan 0.000 0.527 191 L N -0.075 121.144 121.223 -0.007 0.000 2.313 191 L HA 0.753 5.096 4.340 0.005 0.000 0.268 191 L C -0.043 176.816 176.870 -0.018 0.000 1.010 191 L CA -1.465 53.366 54.840 -0.016 0.000 0.814 191 L CB 1.411 43.455 42.059 -0.024 0.000 1.304 191 L HN -0.069 nan 8.230 nan 0.000 0.441 192 L N 0.885 122.094 121.223 -0.023 0.000 2.257 192 L HA 0.308 4.652 4.340 0.005 0.000 0.290 192 L C 0.928 177.782 176.870 -0.027 0.000 1.044 192 L CA 0.294 55.113 54.840 -0.035 0.000 0.810 192 L CB 0.859 42.895 42.059 -0.039 0.000 1.193 192 L HN 0.791 nan 8.230 nan 0.000 0.425 193 T N -0.870 113.667 114.554 -0.028 0.000 2.975 193 T HA 0.184 4.537 4.350 0.005 0.000 0.257 193 T C 1.646 176.351 174.700 0.008 0.000 1.003 193 T CA -0.074 62.022 62.100 -0.006 0.000 0.932 193 T CB 0.059 68.931 68.868 0.006 0.000 1.087 193 T HN 0.299 nan 8.240 nan 0.000 0.512 194 L N 1.403 122.609 121.223 -0.028 0.000 1.990 194 L HA -0.124 4.219 4.340 0.005 0.000 0.213 194 L C 2.373 179.338 176.870 0.159 0.000 1.072 194 L CA 1.913 56.742 54.840 -0.020 0.000 0.755 194 L CB -0.579 41.282 42.059 -0.329 0.000 0.889 194 L HN 0.229 nan 8.230 nan 0.000 0.432 195 D N -0.242 120.241 120.400 0.138 0.000 2.218 195 D HA -0.125 4.518 4.640 0.005 0.000 0.204 195 D C 2.121 178.470 176.300 0.081 0.000 0.976 195 D CA 1.256 55.346 54.000 0.151 0.000 0.853 195 D CB 0.044 40.902 40.800 0.096 0.000 0.939 195 D HN 0.332 nan 8.370 nan 0.000 0.481 196 A N 0.363 123.214 122.820 0.051 0.000 1.969 196 A HA -0.094 4.229 4.320 0.005 0.000 0.218 196 A C 2.285 179.878 177.584 0.016 0.000 1.169 196 A CA 0.560 52.610 52.037 0.022 0.000 0.635 196 A CB -0.495 18.509 19.000 0.008 0.000 0.810 196 A HN 0.185 nan 8.150 nan 0.000 0.445 197 I N 0.521 121.114 120.570 0.038 0.000 2.099 197 I HA -0.181 3.992 4.170 0.005 0.000 0.239 197 I C -0.330 175.777 176.117 -0.016 0.000 1.066 197 I CA 1.792 63.098 61.300 0.010 0.000 1.324 197 I CB -1.206 36.821 38.000 0.044 0.000 1.037 197 I HN 0.255 nan 8.210 nan 0.000 0.401 198 P HA -0.152 nan 4.420 nan 0.000 0.222 198 P C 1.374 178.649 177.300 -0.042 0.000 1.153 198 P CA 1.433 64.514 63.100 -0.031 0.000 0.798 198 P CB -0.066 31.612 31.700 -0.037 0.000 0.796 199 E N 0.201 120.384 120.200 -0.028 0.000 2.051 199 E HA -0.115 4.238 4.350 0.005 0.000 0.192 199 E C 1.953 178.526 176.600 -0.045 0.000 0.991 199 E CA 1.085 57.466 56.400 -0.032 0.000 0.799 199 E CB -0.299 29.391 29.700 -0.018 0.000 0.748 199 E HN -0.078 nan 8.360 nan 0.000 0.449 200 V N 1.326 121.210 119.914 -0.050 0.000 2.343 200 V HA -0.249 3.874 4.120 0.005 0.000 0.247 200 V C 2.079 178.106 176.094 -0.112 0.000 1.051 200 V CA 2.097 64.352 62.300 -0.075 0.000 1.036 200 V CB -0.478 31.302 31.823 -0.072 0.000 0.654 200 V HN 0.298 nan 8.190 nan 0.000 0.451 201 E N -0.356 119.780 120.200 -0.107 0.000 2.106 201 E HA -0.230 4.123 4.350 0.005 0.000 0.192 201 E C 2.438 178.972 176.600 -0.110 0.000 0.984 201 E CA 1.037 57.361 56.400 -0.126 0.000 0.806 201 E CB -0.154 29.478 29.700 -0.113 0.000 0.750 201 E HN 0.445 nan 8.360 nan 0.000 0.458 202 R N 0.999 121.449 120.500 -0.083 0.000 2.070 202 R HA -0.096 4.247 4.340 0.005 0.000 0.233 202 R C 2.304 178.564 176.300 -0.066 0.000 1.137 202 R CA 1.334 57.394 56.100 -0.067 0.000 0.945 202 R CB 0.043 30.311 30.300 -0.053 0.000 0.845 202 R HN 0.028 nan 8.270 nan 0.000 0.430 203 R N -0.137 120.324 120.500 -0.066 0.000 2.115 203 R HA -0.065 4.278 4.340 0.005 0.000 0.230 203 R C 2.080 178.335 176.300 -0.074 0.000 1.111 203 R CA 1.162 57.229 56.100 -0.054 0.000 0.976 203 R CB -0.014 30.261 30.300 -0.041 0.000 0.870 203 R HN 0.307 nan 8.270 nan 0.000 0.445 204 L N -1.738 119.401 121.223 -0.140 0.000 2.575 204 L HA 0.277 4.620 4.340 0.005 0.000 0.228 204 L C 1.049 177.772 176.870 -0.246 0.000 1.075 204 L CA 0.271 54.968 54.840 -0.239 0.000 0.867 204 L CB 0.405 42.178 42.059 -0.476 0.000 1.097 204 L HN 0.349 nan 8.230 nan 0.000 0.485 205 G N 1.429 110.118 108.800 -0.184 0.000 2.221 205 G HA2 -0.231 3.733 3.960 0.005 0.000 0.265 205 G HA3 -0.231 3.733 3.960 0.005 0.000 0.265 205 G C -0.271 174.523 174.900 -0.177 0.000 1.041 205 G CA 0.341 45.355 45.100 -0.142 0.000 0.807 205 G HN 0.147 nan 8.290 nan 0.000 0.502 206 V N 1.309 121.074 119.914 -0.249 0.000 2.808 206 V HA 0.688 4.811 4.120 0.005 0.000 0.308 206 V C -2.065 173.904 176.094 -0.207 0.000 1.099 206 V CA -1.494 60.656 62.300 -0.250 0.000 0.920 206 V CB 2.922 34.471 31.823 -0.457 0.000 1.014 206 V HN 0.171 nan 8.190 nan 0.000 0.425 207 P HA 0.354 nan 4.420 nan 0.000 0.277 207 P C -1.188 176.020 177.300 -0.155 0.000 1.240 207 P CA -0.138 62.870 63.100 -0.153 0.000 0.798 207 P CB 1.635 33.251 31.700 -0.140 0.000 0.979 208 V N 2.673 122.486 119.914 -0.169 0.000 2.540 208 V HA 0.262 4.386 4.120 0.005 0.000 0.302 208 V C 0.192 176.168 176.094 -0.195 0.000 1.035 208 V CA -0.779 61.432 62.300 -0.148 0.000 0.873 208 V CB 2.188 33.939 31.823 -0.120 0.000 0.992 208 V HN 0.263 nan 8.190 nan 0.000 0.428 209 V N 3.554 123.379 119.914 -0.147 0.000 2.370 209 V HA 0.467 4.590 4.120 0.005 0.000 0.283 209 V C 0.254 176.316 176.094 -0.053 0.000 1.023 209 V CA -0.161 62.046 62.300 -0.155 0.000 0.857 209 V CB 1.819 33.579 31.823 -0.104 0.000 0.985 209 V HN 0.875 nan 8.190 nan 0.000 0.443 210 S N 2.732 118.425 115.700 -0.011 0.000 2.451 210 S HA 0.303 4.776 4.470 0.005 0.000 0.301 210 S C 1.374 176.060 174.600 0.143 0.000 1.116 210 S CA -0.008 58.233 58.200 0.069 0.000 1.093 210 S CB 1.533 64.784 63.200 0.085 0.000 1.017 210 S HN 0.993 nan 8.310 nan 0.000 0.482 211 S N 4.149 119.932 115.700 0.137 0.000 2.353 211 S HA -0.121 4.352 4.470 0.005 0.000 0.222 211 S C 2.071 176.796 174.600 0.209 0.000 1.035 211 S CA 1.737 60.045 58.200 0.181 0.000 1.025 211 S CB -1.042 62.275 63.200 0.195 0.000 0.902 211 S HN 0.665 nan 8.310 nan 0.000 0.440 212 S N 2.881 118.694 115.700 0.189 0.000 2.345 212 S HA 0.054 4.527 4.470 0.005 0.000 0.220 212 S C -0.771 174.031 174.600 0.336 0.000 1.031 212 S CA 1.179 59.512 58.200 0.221 0.000 0.996 212 S CB -1.400 61.908 63.200 0.180 0.000 0.882 212 S HN 0.412 nan 8.310 nan 0.000 0.445 213 P HA -0.044 nan 4.420 nan 0.000 0.216 213 P C 1.461 179.036 177.300 0.459 0.000 1.153 213 P CA 1.654 64.906 63.100 0.252 0.000 0.858 213 P CB -0.237 31.591 31.700 0.214 0.000 0.789 214 A N -0.259 122.883 122.820 0.536 0.000 1.940 214 A HA -0.133 4.190 4.320 0.005 0.000 0.219 214 A C 2.488 180.417 177.584 0.576 0.000 1.176 214 A CA 2.141 54.541 52.037 0.603 0.000 0.631 214 A CB -1.909 17.319 19.000 0.381 0.000 0.814 214 A HN 0.288 nan 8.150 nan 0.000 0.446 215 G N -1.226 107.795 108.800 0.368 0.000 2.446 215 G HA2 -0.180 3.783 3.960 0.005 0.000 0.217 215 G HA3 -0.180 3.783 3.960 0.005 0.000 0.217 215 G C 1.368 176.335 174.900 0.112 0.000 1.168 215 G CA 1.120 46.333 45.100 0.189 0.000 0.771 215 G HN 0.431 nan 8.290 nan 0.000 0.551 216 F N -0.604 119.418 119.950 0.121 0.000 2.102 216 F HA 0.029 4.558 4.527 0.004 0.000 0.298 216 F C 2.418 178.331 175.800 0.189 0.000 1.105 216 F CA 1.339 59.380 58.000 0.068 0.000 1.239 216 F CB -0.576 38.454 39.000 0.050 0.000 0.991 216 F HN 0.333 nan 8.300 nan 0.000 0.474 217 W N 1.582 123.092 121.300 0.350 0.000 2.338 217 W HA -0.274 4.390 4.660 0.006 0.000 0.304 217 W C 2.159 178.797 176.519 0.197 0.000 1.212 217 W CA 2.124 59.674 57.345 0.342 0.000 1.264 217 W CB -0.652 29.079 29.460 0.451 0.000 1.142 217 W HN 0.175 nan 8.180 nan 0.000 0.512 218 D N 0.007 120.432 120.400 0.041 0.000 2.117 218 D HA -0.168 4.476 4.640 0.005 0.000 0.198 218 D C 2.247 178.417 176.300 -0.217 0.000 0.982 218 D CA 2.234 56.054 54.000 -0.300 0.000 0.828 218 D CB -0.492 40.339 40.800 0.051 0.000 0.967 218 D HN 0.140 nan 8.370 nan 0.000 0.464 219 A N -0.097 122.664 122.820 -0.099 0.000 1.898 219 A HA -0.070 4.253 4.320 0.005 0.000 0.216 219 A C 2.464 179.969 177.584 -0.132 0.000 1.181 219 A CA 1.422 53.400 52.037 -0.098 0.000 0.620 219 A CB -0.790 18.167 19.000 -0.071 0.000 0.819 219 A HN 0.224 nan 8.150 nan 0.000 0.442 220 V N -0.040 119.767 119.914 -0.178 0.000 2.343 220 V HA -0.247 3.876 4.120 0.005 0.000 0.247 220 V C 2.636 178.590 176.094 -0.234 0.000 1.051 220 V CA 2.135 64.273 62.300 -0.270 0.000 1.036 220 V CB -0.788 30.676 31.823 -0.598 0.000 0.654 220 V HN 0.508 nan 8.190 nan 0.000 0.451 221 R N -0.599 119.719 120.500 -0.304 0.000 2.073 221 R HA -0.106 4.238 4.340 0.005 0.000 0.234 221 R C 2.367 178.547 176.300 -0.199 0.000 1.134 221 R CA 1.425 57.348 56.100 -0.295 0.000 0.952 221 R CB -0.440 29.554 30.300 -0.509 0.000 0.850 221 R HN 0.390 nan 8.270 nan 0.000 0.433 222 L N 0.305 121.413 121.223 -0.191 0.000 2.083 222 L HA -0.149 4.195 4.340 0.005 0.000 0.209 222 L C 2.237 179.046 176.870 -0.101 0.000 1.083 222 L CA 1.392 56.155 54.840 -0.128 0.000 0.752 222 L CB -0.472 41.520 42.059 -0.110 0.000 0.899 222 L HN 0.251 nan 8.230 nan 0.000 0.433 223 A N -0.492 122.262 122.820 -0.110 0.000 2.172 223 A HA 0.005 4.329 4.320 0.005 0.000 0.216 223 A C 1.661 179.194 177.584 -0.084 0.000 1.154 223 A CA 0.906 52.885 52.037 -0.096 0.000 0.701 223 A CB -0.825 18.108 19.000 -0.113 0.000 0.789 223 A HN 0.603 nan 8.150 nan 0.000 0.465 224 G N -1.604 107.144 108.800 -0.087 0.000 2.321 224 G HA2 -0.206 3.757 3.960 0.005 0.000 0.287 224 G HA3 -0.206 3.757 3.960 0.005 0.000 0.287 224 G C 1.005 175.874 174.900 -0.051 0.000 1.018 224 G CA 0.706 45.768 45.100 -0.064 0.000 0.855 224 G HN 1.257 nan 8.290 nan 0.000 0.507 225 G N -0.919 107.846 108.800 -0.059 0.000 2.623 225 G HA2 0.460 4.424 3.960 0.005 0.000 0.214 225 G HA3 0.460 4.424 3.960 0.005 0.000 0.214 225 G C 1.703 176.592 174.900 -0.018 0.000 1.138 225 G CA 1.474 46.547 45.100 -0.044 0.000 0.794 225 G HN 1.974 nan 8.290 nan 0.000 0.535 226 G N -0.916 107.879 108.800 -0.009 0.000 2.179 226 G HA2 0.063 4.026 3.960 0.005 0.000 0.260 226 G HA3 0.063 4.026 3.960 0.005 0.000 0.260 226 G C 0.610 175.546 174.900 0.059 0.000 0.977 226 G CA 0.414 45.529 45.100 0.025 0.000 0.641 226 G HN 1.415 nan 8.290 nan 0.000 0.533 227 A N 0.249 123.107 122.820 0.062 0.000 2.511 227 A HA 0.529 4.852 4.320 0.005 0.000 0.242 227 A C 0.658 178.384 177.584 0.238 0.000 1.069 227 A CA 0.465 52.581 52.037 0.131 0.000 0.763 227 A CB 0.389 19.467 19.000 0.130 0.000 1.001 227 A HN 0.224 nan 8.150 nan 0.000 0.498 228 K N 1.489 122.025 120.400 0.227 0.000 2.156 228 K HA 0.522 4.845 4.320 0.005 0.000 0.271 228 K C 0.360 177.087 176.600 0.213 0.000 0.995 228 K CA -0.123 56.309 56.287 0.241 0.000 0.890 228 K CB 1.623 34.215 32.500 0.154 0.000 1.073 228 K HN 0.807 nan 8.250 nan 0.000 0.454 229 A N 3.778 126.687 122.820 0.147 0.000 2.520 229 A HA 0.049 4.372 4.320 0.005 0.000 0.235 229 A C 0.322 177.857 177.584 -0.082 0.000 1.065 229 A CA -0.086 51.788 52.037 -0.271 0.000 0.764 229 A CB 0.104 18.944 19.000 -0.268 0.000 1.002 229 A HN 0.585 nan 8.150 nan 0.000 0.502 230 R N 1.976 122.407 120.500 -0.114 0.000 2.638 230 R HA 0.086 4.429 4.340 0.005 0.000 0.268 230 R C -2.301 174.062 176.300 0.106 0.000 1.006 230 R CA -0.615 55.506 56.100 0.036 0.000 1.088 230 R CB -0.470 29.890 30.300 0.101 0.000 0.950 230 R HN 0.583 nan 8.270 nan 0.000 0.419 231 P HA 0.086 nan 4.420 nan 0.000 0.276 231 P C 0.428 177.609 177.300 -0.198 0.000 1.244 231 P CA -0.006 63.085 63.100 -0.016 0.000 0.801 231 P CB 0.805 32.489 31.700 -0.026 0.000 1.006 232 G N 0.204 108.875 108.800 -0.215 0.000 2.159 232 G HA2 -0.242 3.721 3.960 0.005 0.000 0.227 232 G HA3 -0.242 3.721 3.960 0.005 0.000 0.227 232 G C -0.029 174.563 174.900 -0.512 0.000 0.986 232 G CA -0.264 44.601 45.100 -0.392 0.000 0.651 232 G HN 0.524 nan 8.290 nan 0.000 0.523 233 Y N 0.867 121.193 120.300 0.042 0.000 2.734 233 Y HA 0.483 5.035 4.550 0.003 0.000 0.278 233 Y C 1.392 177.342 175.900 0.084 0.000 1.108 233 Y CA 0.335 58.488 58.100 0.089 0.000 1.211 233 Y CB 0.823 39.369 38.460 0.144 0.000 1.182 233 Y HN 1.046 nan 8.280 nan 0.000 0.547 234 G N -0.020 108.820 108.800 0.068 0.000 2.541 234 G HA2 -0.186 3.777 3.960 0.005 0.000 0.686 234 G HA3 -0.186 3.777 3.960 0.005 0.000 0.686 234 G C 0.046 174.887 174.900 -0.100 0.000 1.286 234 G CA -0.834 44.235 45.100 -0.051 0.000 0.894 234 G HN 0.257 nan 8.290 nan 0.000 0.575 235 R N -0.528 119.880 120.500 -0.154 0.000 2.075 235 R HA 0.065 4.408 4.340 0.005 0.000 0.232 235 R C 2.784 178.973 176.300 -0.185 0.000 1.126 235 R CA 1.728 57.746 56.100 -0.136 0.000 0.963 235 R CB -0.373 29.852 30.300 -0.126 0.000 0.858 235 R HN 0.512 nan 8.270 nan 0.000 0.435 236 L N 0.310 121.310 121.223 -0.372 0.000 1.990 236 L HA -0.168 4.176 4.340 0.005 0.000 0.213 236 L C 1.727 178.371 176.870 -0.376 0.000 1.072 236 L CA 1.835 56.353 54.840 -0.537 0.000 0.755 236 L CB -0.462 41.003 42.059 -0.991 0.000 0.889 236 L HN 0.149 nan 8.230 nan 0.000 0.432 237 F N -1.027 118.816 119.950 -0.179 0.000 2.293 237 F HA -0.095 4.441 4.527 0.014 0.000 0.297 237 F C 2.152 177.966 175.800 0.024 0.000 1.089 237 F CA 0.244 58.201 58.000 -0.071 0.000 1.377 237 F CB -0.320 38.661 39.000 -0.031 0.000 1.051 237 F HN 0.115 nan 8.300 nan 0.000 0.511 238 D N 0.751 121.241 120.400 0.150 0.000 2.178 238 D HA -0.037 4.606 4.640 0.005 0.000 0.201 238 D C 1.338 177.698 176.300 0.100 0.000 0.980 238 D CA 1.593 55.650 54.000 0.095 0.000 0.842 238 D CB -0.601 40.218 40.800 0.032 0.000 0.948 238 D HN 0.335 nan 8.370 nan 0.000 0.472 239 E N 0.000 120.253 120.200 0.089 0.000 2.725 239 E HA 0.000 4.353 4.350 0.005 0.000 0.291 239 E CA 0.000 56.475 56.400 0.126 0.000 0.976 239 E CB 0.000 29.847 29.700 0.245 0.000 0.812 239 E HN 0.000 nan 8.360 nan 0.000 0.440