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 1psd_1_A DATA FIRST_RESID 7 DATA SEQUENCE EKDKIKFLLV EGVHQKALES LRAAGYTNIE FHKGALDDEQ LKESIRDAHF DATA SEQUENCE IGLRSRTHLT EDVINAAEKL VAIGCFCIGT NQVDLDAAAK RGIPVFNAPF DATA SEQUENCE SNTRSVAELV IGELLLLLRG VPEANAKAHR GVWNKLAAGS FEARGKKLGI DATA SEQUENCE IGYGHIGTQL GILAESLGMY VYFYDIENKL PLGNATQVQH LSDLLNMSDV DATA SEQUENCE VSLHVPENPS TKNMMGAKEI SLMKPGSLLI NASRGTVVDI PALCDALASK DATA SEQUENCE HLAGAAIDVF PTEPATNSDP FTSPLCEFDN VLLTPHIGGS TQEAQENIGL DATA SEQUENCE EVAGKLIKYS DNGSTLSAVN FPEVSLPLHG GRRLMHIHEN RPGVLTALNK DATA SEQUENCE IFAEQGVNIA AQYLQTSAQM GYVVIDIEAD EDVAEKALQA MKAIPGTIRA DATA SEQUENCE RLLY 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 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.406 176.600 -0.324 0.000 1.382 7 E CA 0.000 55.961 56.400 -0.731 0.000 0.976 7 E CB 0.000 29.483 29.700 -0.362 0.000 0.812 8 K N 1.724 121.984 120.400 -0.233 0.000 2.523 8 K HA 0.317 4.641 4.320 0.006 0.000 0.257 8 K C -0.327 176.319 176.600 0.076 0.000 0.932 8 K CA -0.579 55.713 56.287 0.008 0.000 0.812 8 K CB 1.877 34.438 32.500 0.101 0.000 1.326 8 K HN 0.352 nan 8.250 nan 0.000 0.433 9 D N 0.867 121.301 120.400 0.057 0.000 2.224 9 D HA -0.106 4.538 4.640 0.006 0.000 0.205 9 D C 0.613 176.981 176.300 0.113 0.000 0.965 9 D CA 1.049 55.094 54.000 0.075 0.000 0.852 9 D CB 0.591 41.419 40.800 0.046 0.000 0.947 9 D HN 0.110 nan 8.370 nan 0.000 0.494 10 K N 0.811 121.280 120.400 0.115 0.000 2.758 10 K HA 0.264 4.587 4.320 0.006 0.000 0.208 10 K C -0.497 176.201 176.600 0.165 0.000 1.091 10 K CA -0.256 56.115 56.287 0.140 0.000 1.059 10 K CB -0.161 32.408 32.500 0.116 0.000 0.801 10 K HN 0.013 nan 8.250 nan 0.000 0.470 11 I N 1.493 122.161 120.570 0.162 0.000 2.313 11 I HA 0.212 4.386 4.170 0.006 0.000 0.286 11 I C -0.542 175.769 176.117 0.322 0.000 1.091 11 I CA -0.709 60.607 61.300 0.026 0.000 1.216 11 I CB 0.108 38.139 38.000 0.052 0.000 1.434 11 I HN 0.023 nan 8.210 nan 0.000 0.487 12 K N 6.463 127.134 120.400 0.452 0.000 2.447 12 K HA 0.088 4.411 4.320 0.006 0.000 0.281 12 K C -1.386 175.345 176.600 0.218 0.000 1.031 12 K CA 0.287 56.767 56.287 0.322 0.000 1.019 12 K CB 0.428 33.052 32.500 0.207 0.000 0.918 12 K HN 0.437 nan 8.250 nan 0.000 0.476 13 F N 5.126 125.218 119.950 0.237 0.000 2.402 13 F HA 0.269 4.799 4.527 0.006 0.000 0.355 13 F C -0.299 175.607 175.800 0.176 0.000 1.123 13 F CA -0.950 57.186 58.000 0.225 0.000 1.021 13 F CB 1.213 40.315 39.000 0.170 0.000 1.160 13 F HN 0.365 nan 8.300 nan 0.000 0.451 14 L N 6.301 127.698 121.223 0.290 0.000 2.276 14 L HA 0.550 4.893 4.340 0.006 0.000 0.286 14 L C -1.380 175.628 176.870 0.229 0.000 1.024 14 L CA -0.219 54.755 54.840 0.224 0.000 0.826 14 L CB 0.403 42.541 42.059 0.132 0.000 1.211 14 L HN 0.447 nan 8.230 nan 0.000 0.422 15 L N 6.535 127.897 121.223 0.232 0.000 2.313 15 L HA 0.739 5.083 4.340 0.006 0.000 0.283 15 L C -0.292 176.634 176.870 0.093 0.000 1.013 15 L CA -0.915 54.029 54.840 0.174 0.000 0.816 15 L CB 1.756 43.948 42.059 0.221 0.000 1.236 15 L HN 0.502 nan 8.230 nan 0.000 0.419 16 V N -0.992 118.928 119.914 0.010 0.000 3.155 16 V HA 0.548 4.671 4.120 0.006 0.000 0.313 16 V C 0.139 176.176 176.094 -0.095 0.000 1.162 16 V CA -0.751 61.506 62.300 -0.071 0.000 1.048 16 V CB 1.674 33.448 31.823 -0.081 0.000 1.092 16 V HN 0.876 nan 8.190 nan 0.000 0.447 17 E N 0.460 120.589 120.200 -0.118 0.000 2.586 17 E HA -0.186 4.168 4.350 0.006 0.000 0.259 17 E C 0.841 177.407 176.600 -0.057 0.000 1.107 17 E CA 0.590 56.940 56.400 -0.085 0.000 0.754 17 E CB -1.575 28.092 29.700 -0.055 0.000 1.335 17 E HN 2.164 nan 8.360 nan 0.000 0.411 18 G N -0.030 108.713 108.800 -0.095 0.000 2.363 18 G HA2 -0.296 3.667 3.960 0.006 0.000 0.286 18 G HA3 -0.296 3.667 3.960 0.006 0.000 0.286 18 G C 0.216 175.211 174.900 0.158 0.000 0.975 18 G CA 0.323 45.481 45.100 0.097 0.000 1.309 18 G HN 0.304 nan 8.290 nan 0.000 0.491 19 V N 3.119 123.129 119.914 0.161 0.000 2.686 19 V HA 0.145 4.269 4.120 0.006 0.000 0.295 19 V C 1.521 177.617 176.094 0.004 0.000 1.055 19 V CA -0.730 61.528 62.300 -0.071 0.000 1.050 19 V CB 1.302 32.816 31.823 -0.515 0.000 0.984 19 V HN 0.659 nan 8.190 nan 0.000 0.482 20 H N 4.119 123.148 119.070 -0.069 0.000 3.073 20 H HA -0.044 4.516 4.556 0.006 0.000 0.340 20 H C 1.005 176.259 175.328 -0.124 0.000 1.054 20 H CA 0.160 56.174 56.048 -0.056 0.000 1.372 20 H CB 0.904 30.660 29.762 -0.009 0.000 1.314 20 H HN 0.656 nan 8.280 nan 0.000 0.603 21 Q N 3.709 123.069 119.800 -0.734 0.000 2.234 21 Q HA -0.144 4.199 4.340 0.006 0.000 0.206 21 Q C 1.801 177.606 176.000 -0.326 0.000 0.980 21 Q CA 1.102 56.581 55.803 -0.541 0.000 0.869 21 Q CB 0.033 28.453 28.738 -0.529 0.000 0.912 21 Q HN 0.599 nan 8.270 nan 0.000 0.436 22 K N -0.045 120.243 120.400 -0.187 0.000 2.211 22 K HA -0.015 4.309 4.320 0.006 0.000 0.203 22 K C 1.884 178.491 176.600 0.012 0.000 1.050 22 K CA 0.874 57.175 56.287 0.024 0.000 0.945 22 K CB 0.031 32.666 32.500 0.226 0.000 0.732 22 K HN 0.133 nan 8.250 nan 0.000 0.451 23 A N 1.537 124.366 122.820 0.014 0.000 1.872 23 A HA -0.088 4.235 4.320 0.006 0.000 0.214 23 A C 2.119 179.652 177.584 -0.086 0.000 1.187 23 A CA 0.752 52.805 52.037 0.027 0.000 0.614 23 A CB -0.372 18.667 19.000 0.066 0.000 0.826 23 A HN 0.063 nan 8.150 nan 0.000 0.442 24 L N 0.009 121.130 121.223 -0.170 0.000 2.013 24 L HA -0.229 4.114 4.340 0.006 0.000 0.212 24 L C 2.509 179.279 176.870 -0.168 0.000 1.073 24 L CA 2.442 57.154 54.840 -0.214 0.000 0.753 24 L CB -1.446 40.425 42.059 -0.313 0.000 0.890 24 L HN 0.654 nan 8.230 nan 0.000 0.432 25 E N 0.056 120.169 120.200 -0.145 0.000 2.085 25 E HA -0.212 4.142 4.350 0.006 0.000 0.194 25 E C 2.207 178.758 176.600 -0.082 0.000 0.994 25 E CA 1.810 58.145 56.400 -0.107 0.000 0.801 25 E CB 0.185 29.831 29.700 -0.091 0.000 0.743 25 E HN 0.571 nan 8.360 nan 0.000 0.453 26 S N 0.341 116.000 115.700 -0.069 0.000 2.423 26 S HA -0.097 4.376 4.470 0.006 0.000 0.231 26 S C 2.073 176.631 174.600 -0.069 0.000 1.014 26 S CA 0.604 58.772 58.200 -0.054 0.000 0.965 26 S CB -0.423 62.758 63.200 -0.032 0.000 0.785 26 S HN 0.238 nan 8.310 nan 0.000 0.495 27 L N 1.119 122.265 121.223 -0.129 0.000 1.994 27 L HA -0.058 4.286 4.340 0.006 0.000 0.208 27 L C 3.143 179.980 176.870 -0.054 0.000 1.071 27 L CA 1.491 56.218 54.840 -0.187 0.000 0.745 27 L CB -0.546 41.240 42.059 -0.455 0.000 0.892 27 L HN 0.257 nan 8.230 nan 0.000 0.431 28 R N 0.157 120.607 120.500 -0.083 0.000 2.091 28 R HA -0.179 4.165 4.340 0.006 0.000 0.238 28 R C 2.408 178.676 176.300 -0.053 0.000 1.136 28 R CA 1.412 57.477 56.100 -0.058 0.000 0.959 28 R CB -0.639 29.620 30.300 -0.069 0.000 0.856 28 R HN 0.385 nan 8.270 nan 0.000 0.437 29 A N 1.403 124.194 122.820 -0.049 0.000 1.940 29 A HA -0.091 4.233 4.320 0.006 0.000 0.219 29 A C 2.071 179.630 177.584 -0.042 0.000 1.176 29 A CA 1.666 53.677 52.037 -0.044 0.000 0.631 29 A CB -0.401 18.577 19.000 -0.036 0.000 0.814 29 A HN 0.389 nan 8.150 nan 0.000 0.446 30 A N -1.292 121.521 122.820 -0.012 0.000 2.310 30 A HA 0.434 4.758 4.320 0.006 0.000 0.230 30 A C 1.633 179.096 177.584 -0.202 0.000 1.294 30 A CA 0.957 52.995 52.037 0.002 0.000 0.898 30 A CB -1.431 17.690 19.000 0.201 0.000 0.917 30 A HN 1.883 nan 8.150 nan 0.000 0.491 31 G N -1.756 106.928 108.800 -0.193 0.000 2.166 31 G HA2 -0.318 3.645 3.960 0.006 0.000 0.260 31 G HA3 -0.318 3.645 3.960 0.006 0.000 0.260 31 G C -0.131 174.544 174.900 -0.375 0.000 0.986 31 G CA 0.615 45.548 45.100 -0.279 0.000 0.683 31 G HN 0.515 nan 8.290 nan 0.000 0.527 32 Y N 0.862 121.137 120.300 -0.042 0.000 2.518 32 Y HA 0.501 5.054 4.550 0.005 0.000 0.344 32 Y C 1.788 177.657 175.900 -0.051 0.000 0.982 32 Y CA 0.318 58.405 58.100 -0.022 0.000 1.234 32 Y CB 1.258 39.639 38.460 -0.131 0.000 1.114 32 Y HN 0.080 nan 8.280 nan 0.000 0.515 33 T N 0.680 115.309 114.554 0.125 0.000 2.953 33 T HA -0.094 4.260 4.350 0.006 0.000 0.247 33 T C 0.842 175.619 174.700 0.128 0.000 1.029 33 T CA 0.129 62.278 62.100 0.082 0.000 1.144 33 T CB -0.138 68.758 68.868 0.046 0.000 0.870 33 T HN 0.567 nan 8.240 nan 0.000 0.446 34 N N 2.038 120.861 118.700 0.205 0.000 2.416 34 N HA 0.055 4.798 4.740 0.006 0.000 0.291 34 N C -1.105 174.572 175.510 0.279 0.000 1.257 34 N CA -0.041 53.142 53.050 0.222 0.000 1.043 34 N CB -0.212 38.421 38.487 0.244 0.000 1.441 34 N HN 0.394 nan 8.380 nan 0.000 0.490 35 I N 1.965 122.648 120.570 0.187 0.000 2.418 35 I HA 0.168 4.341 4.170 0.006 0.000 0.287 35 I C -0.113 176.102 176.117 0.163 0.000 1.008 35 I CA -0.691 60.724 61.300 0.193 0.000 1.104 35 I CB 1.843 39.894 38.000 0.085 0.000 1.264 35 I HN 0.381 nan 8.210 nan 0.000 0.438 36 E N 6.728 127.045 120.200 0.196 0.000 2.070 36 E HA 0.256 4.610 4.350 0.006 0.000 0.261 36 E C -1.366 175.334 176.600 0.167 0.000 0.926 36 E CA -0.621 55.864 56.400 0.142 0.000 0.760 36 E CB 0.863 30.656 29.700 0.155 0.000 1.133 36 E HN 0.433 nan 8.360 nan 0.000 0.420 37 F N 3.306 123.205 119.950 -0.085 0.000 2.371 37 F HA 0.373 4.903 4.527 0.005 0.000 0.329 37 F C -0.863 174.770 175.800 -0.279 0.000 1.107 37 F CA -0.203 57.736 58.000 -0.101 0.000 1.137 37 F CB 0.871 39.811 39.000 -0.100 0.000 1.214 37 F HN 0.483 nan 8.300 nan 0.000 0.536 38 H N 3.714 122.131 119.070 -1.089 0.000 3.181 38 H HA 0.222 4.781 4.556 0.005 0.000 0.331 38 H C 0.511 175.176 175.328 -1.104 0.000 0.988 38 H CA -0.641 54.908 56.048 -0.830 0.000 1.449 38 H CB 1.755 31.294 29.762 -0.373 0.000 1.749 38 H HN 0.678 nan 8.280 nan 0.000 0.501 39 K N 2.014 121.939 120.400 -0.791 0.000 2.211 39 K HA -0.024 4.300 4.320 0.006 0.000 0.204 39 K C 0.890 177.372 176.600 -0.197 0.000 1.047 39 K CA 1.238 57.285 56.287 -0.400 0.000 0.935 39 K CB 0.204 32.633 32.500 -0.118 0.000 0.728 39 K HN 0.699 nan 8.250 nan 0.000 0.452 40 G N -1.040 107.667 108.800 -0.154 0.000 3.175 40 G HA2 0.615 4.578 3.960 0.006 0.000 0.255 40 G HA3 0.615 4.578 3.960 0.006 0.000 0.255 40 G C -1.361 173.475 174.900 -0.107 0.000 1.352 40 G CA -0.375 44.668 45.100 -0.095 0.000 1.037 40 G HN 0.253 nan 8.290 nan 0.000 0.556 41 A N -1.302 121.464 122.820 -0.090 0.000 2.287 41 A HA 0.703 5.027 4.320 0.006 0.000 0.273 41 A C -1.030 176.474 177.584 -0.132 0.000 1.091 41 A CA -0.109 51.866 52.037 -0.103 0.000 0.817 41 A CB 0.784 19.741 19.000 -0.072 0.000 1.069 41 A HN 0.485 nan 8.150 nan 0.000 0.492 42 L N 1.925 123.057 121.223 -0.152 0.000 2.381 42 L HA 0.314 4.657 4.340 0.006 0.000 0.274 42 L C -0.358 176.450 176.870 -0.103 0.000 0.988 42 L CA -0.424 54.310 54.840 -0.176 0.000 0.824 42 L CB 1.814 43.700 42.059 -0.287 0.000 1.263 42 L HN 0.826 nan 8.230 nan 0.000 0.410 43 D N 1.587 121.941 120.400 -0.077 0.000 2.382 43 D HA -0.075 4.569 4.640 0.006 0.000 0.240 43 D C 0.633 176.907 176.300 -0.043 0.000 1.146 43 D CA -0.218 53.756 54.000 -0.045 0.000 0.897 43 D CB 1.111 41.891 40.800 -0.034 0.000 1.197 43 D HN 0.615 nan 8.370 nan 0.000 0.432 44 D N 0.799 121.184 120.400 -0.024 0.000 2.192 44 D HA -0.302 4.341 4.640 0.006 0.000 0.189 44 D C 1.373 177.657 176.300 -0.028 0.000 1.007 44 D CA 1.682 55.669 54.000 -0.021 0.000 0.859 44 D CB 0.097 40.891 40.800 -0.012 0.000 0.936 44 D HN 0.739 nan 8.370 nan 0.000 0.447 45 E N 0.091 120.275 120.200 -0.026 0.000 2.058 45 E HA -0.239 4.115 4.350 0.006 0.000 0.194 45 E C 2.172 178.754 176.600 -0.031 0.000 0.997 45 E CA 1.215 57.601 56.400 -0.025 0.000 0.801 45 E CB -0.149 29.539 29.700 -0.020 0.000 0.746 45 E HN 0.393 nan 8.360 nan 0.000 0.450 46 Q N 0.039 119.814 119.800 -0.041 0.000 2.187 46 Q HA -0.118 4.225 4.340 0.006 0.000 0.199 46 Q C 2.370 178.328 176.000 -0.070 0.000 0.957 46 Q CA 0.554 56.326 55.803 -0.052 0.000 0.857 46 Q CB 0.022 28.720 28.738 -0.066 0.000 0.929 46 Q HN 0.296 nan 8.270 nan 0.000 0.453 47 L N 1.347 122.524 121.223 -0.076 0.000 2.012 47 L HA -0.203 4.140 4.340 0.006 0.000 0.210 47 L C 1.943 178.781 176.870 -0.054 0.000 1.073 47 L CA 1.920 56.712 54.840 -0.080 0.000 0.748 47 L CB -0.304 41.717 42.059 -0.064 0.000 0.891 47 L HN 0.070 nan 8.230 nan 0.000 0.431 48 K N -0.655 119.720 120.400 -0.041 0.000 2.032 48 K HA -0.176 4.148 4.320 0.006 0.000 0.209 48 K C 1.922 178.503 176.600 -0.031 0.000 1.048 48 K CA 1.617 57.883 56.287 -0.034 0.000 0.927 48 K CB -0.256 32.227 32.500 -0.029 0.000 0.712 48 K HN 0.365 nan 8.250 nan 0.000 0.441 49 E N 0.601 120.785 120.200 -0.026 0.000 2.110 49 E HA -0.127 4.226 4.350 0.006 0.000 0.193 49 E C 2.101 178.694 176.600 -0.011 0.000 0.988 49 E CA 1.097 57.487 56.400 -0.017 0.000 0.804 49 E CB -0.155 29.539 29.700 -0.010 0.000 0.745 49 E HN 0.187 nan 8.360 nan 0.000 0.458 50 S N 1.182 116.874 115.700 -0.013 0.000 2.348 50 S HA 0.004 4.478 4.470 0.006 0.000 0.219 50 S C 2.066 176.664 174.600 -0.003 0.000 1.033 50 S CA 0.365 58.569 58.200 0.006 0.000 0.974 50 S CB -0.144 63.056 63.200 -0.000 0.000 0.868 50 S HN 0.212 nan 8.310 nan 0.000 0.459 51 I N 1.614 122.170 120.570 -0.024 0.000 2.756 51 I HA -0.125 4.048 4.170 0.006 0.000 0.262 51 I C 2.364 178.444 176.117 -0.062 0.000 1.225 51 I CA 0.562 61.840 61.300 -0.037 0.000 1.472 51 I CB -0.071 37.906 38.000 -0.040 0.000 1.094 51 I HN 0.177 nan 8.210 nan 0.000 0.454 52 R N 1.756 122.223 120.500 -0.055 0.000 2.148 52 R HA -0.254 4.089 4.340 0.006 0.000 0.230 52 R C 1.573 177.810 176.300 -0.105 0.000 1.120 52 R CA 2.507 58.566 56.100 -0.068 0.000 0.902 52 R CB -0.424 29.847 30.300 -0.048 0.000 0.839 52 R HN 0.522 nan 8.270 nan 0.000 0.431 53 D N -0.209 120.133 120.400 -0.097 0.000 2.352 53 D HA 0.065 4.709 4.640 0.006 0.000 0.236 53 D C -0.721 175.443 176.300 -0.228 0.000 1.148 53 D CA 0.092 54.002 54.000 -0.150 0.000 0.844 53 D CB 0.156 40.908 40.800 -0.081 0.000 0.933 53 D HN 0.318 nan 8.370 nan 0.000 0.507 54 A N 0.176 122.878 122.820 -0.197 0.000 2.331 54 A HA 0.376 4.700 4.320 0.006 0.000 0.283 54 A C 0.117 177.499 177.584 -0.337 0.000 1.142 54 A CA -0.498 51.434 52.037 -0.175 0.000 0.812 54 A CB 0.538 19.501 19.000 -0.061 0.000 1.074 54 A HN 0.218 nan 8.150 nan 0.000 0.497 55 H N 1.129 120.063 119.070 -0.227 0.000 2.370 55 H HA 0.282 4.840 4.556 0.005 0.000 0.304 55 H C -0.617 174.279 175.328 -0.720 0.000 1.055 55 H CA 1.397 57.161 56.048 -0.473 0.000 1.373 55 H CB 0.165 29.614 29.762 -0.521 0.000 1.423 55 H HN 0.592 nan 8.280 nan 0.000 0.533 56 F N -0.042 119.742 119.950 -0.275 0.000 2.546 56 F HA 0.443 4.973 4.527 0.006 0.000 0.320 56 F C -0.596 175.143 175.800 -0.103 0.000 1.076 56 F CA -1.082 56.742 58.000 -0.294 0.000 0.928 56 F CB 2.251 40.832 39.000 -0.697 0.000 1.189 56 F HN -0.103 nan 8.300 nan 0.000 0.465 57 I N 1.199 121.898 120.570 0.214 0.000 2.533 57 I HA 0.713 4.887 4.170 0.006 0.000 0.290 57 I C -0.822 175.454 176.117 0.265 0.000 1.056 57 I CA -0.397 61.018 61.300 0.193 0.000 1.057 57 I CB 1.731 39.785 38.000 0.090 0.000 1.240 57 I HN 0.668 nan 8.210 nan 0.000 0.423 58 G N 8.560 117.535 108.800 0.293 0.000 2.437 58 G HA2 0.590 4.554 3.960 0.006 0.000 0.315 58 G HA3 0.590 4.554 3.960 0.006 0.000 0.315 58 G C -1.058 173.975 174.900 0.221 0.000 1.210 58 G CA -0.363 44.983 45.100 0.409 0.000 0.943 58 G HN 0.450 nan 8.290 nan 0.000 0.471 59 L N -0.229 121.140 121.223 0.242 0.000 2.277 59 L HA 0.799 5.143 4.340 0.006 0.000 0.254 59 L C -0.376 176.570 176.870 0.127 0.000 1.044 59 L CA -1.477 53.430 54.840 0.111 0.000 0.842 59 L CB 0.999 43.081 42.059 0.039 0.000 1.422 59 L HN 0.508 nan 8.230 nan 0.000 0.422 60 R N -0.476 120.045 120.500 0.036 0.000 3.236 60 R HA 0.449 4.793 4.340 0.006 0.000 0.234 60 R C 1.365 177.633 176.300 -0.052 0.000 1.541 60 R CA -0.032 56.082 56.100 0.024 0.000 1.038 60 R CB 0.649 30.963 30.300 0.023 0.000 1.587 60 R HN 0.796 nan 8.270 nan 0.000 0.515 61 S N 0.474 116.136 115.700 -0.063 0.000 2.462 61 S HA -0.154 4.319 4.470 0.006 0.000 0.243 61 S C 1.514 176.012 174.600 -0.170 0.000 1.003 61 S CA 1.168 59.306 58.200 -0.103 0.000 0.970 61 S CB -0.268 62.878 63.200 -0.090 0.000 0.762 61 S HN 0.403 nan 8.310 nan 0.000 0.510 62 R N 0.501 120.897 120.500 -0.172 0.000 2.195 62 R HA 0.162 4.505 4.340 0.006 0.000 0.197 62 R C 0.227 176.322 176.300 -0.342 0.000 0.990 62 R CA 0.534 56.509 56.100 -0.208 0.000 1.048 62 R CB -0.238 30.007 30.300 -0.093 0.000 0.997 62 R HN 0.259 nan 8.270 nan 0.000 0.502 63 T N 1.740 116.138 114.554 -0.260 0.000 2.916 63 T HA 0.064 4.417 4.350 0.006 0.000 0.303 63 T C -0.278 174.213 174.700 -0.349 0.000 1.025 63 T CA 0.321 62.296 62.100 -0.208 0.000 1.142 63 T CB 0.516 69.319 68.868 -0.108 0.000 0.947 63 T HN 0.135 nan 8.240 nan 0.000 0.544 64 H N 3.307 122.364 119.070 -0.022 0.000 2.685 64 H HA 0.258 4.817 4.556 0.006 0.000 0.307 64 H C -0.748 174.566 175.328 -0.024 0.000 1.017 64 H CA -0.798 55.238 56.048 -0.020 0.000 1.237 64 H CB 0.965 30.716 29.762 -0.019 0.000 1.409 64 H HN 0.212 nan 8.280 nan 0.000 0.488 65 L N 3.490 124.748 121.223 0.059 0.000 2.375 65 L HA 0.084 4.428 4.340 0.006 0.000 0.276 65 L C 1.042 177.928 176.870 0.027 0.000 1.162 65 L CA 0.214 55.069 54.840 0.024 0.000 0.991 65 L CB 0.420 42.475 42.059 -0.007 0.000 1.315 65 L HN 0.480 nan 8.230 nan 0.000 0.431 66 T N 0.514 115.085 114.554 0.028 0.000 2.913 66 T HA 0.090 4.444 4.350 0.006 0.000 0.287 66 T C 1.324 176.021 174.700 -0.006 0.000 1.008 66 T CA -0.356 61.751 62.100 0.011 0.000 1.067 66 T CB 0.827 69.697 68.868 0.005 0.000 0.996 66 T HN 0.763 nan 8.240 nan 0.000 0.513 67 E N 1.736 121.930 120.200 -0.011 0.000 2.197 67 E HA -0.307 4.046 4.350 0.006 0.000 0.205 67 E C 1.281 177.870 176.600 -0.018 0.000 1.029 67 E CA 2.338 58.728 56.400 -0.017 0.000 0.828 67 E CB -0.146 29.544 29.700 -0.016 0.000 0.737 67 E HN 0.822 nan 8.360 nan 0.000 0.464 68 D N -0.519 119.871 120.400 -0.016 0.000 2.092 68 D HA -0.165 4.478 4.640 0.006 0.000 0.193 68 D C 1.969 178.257 176.300 -0.020 0.000 0.994 68 D CA 2.152 56.142 54.000 -0.017 0.000 0.828 68 D CB -0.073 40.718 40.800 -0.016 0.000 0.963 68 D HN 0.156 nan 8.370 nan 0.000 0.450 69 V N 0.697 120.601 119.914 -0.017 0.000 2.307 69 V HA -0.197 3.926 4.120 0.006 0.000 0.245 69 V C 2.679 178.755 176.094 -0.030 0.000 1.045 69 V CA 1.420 63.707 62.300 -0.021 0.000 1.024 69 V CB -0.546 31.268 31.823 -0.015 0.000 0.651 69 V HN 0.309 nan 8.190 nan 0.000 0.449 70 I N 0.853 121.405 120.570 -0.029 0.000 2.194 70 I HA -0.260 3.913 4.170 0.006 0.000 0.246 70 I C 2.317 178.409 176.117 -0.042 0.000 1.093 70 I CA 1.603 62.880 61.300 -0.039 0.000 1.355 70 I CB -0.508 37.469 38.000 -0.038 0.000 1.046 70 I HN 0.372 nan 8.210 nan 0.000 0.413 71 N N 0.901 119.581 118.700 -0.034 0.000 2.381 71 N HA -0.060 4.683 4.740 0.006 0.000 0.182 71 N C 1.686 177.175 175.510 -0.035 0.000 1.025 71 N CA 1.276 54.307 53.050 -0.032 0.000 0.888 71 N CB -0.182 38.290 38.487 -0.025 0.000 0.965 71 N HN 0.347 nan 8.380 nan 0.000 0.438 72 A N 0.037 122.835 122.820 -0.035 0.000 2.123 72 A HA 0.371 4.694 4.320 0.006 0.000 0.214 72 A C 1.026 178.581 177.584 -0.048 0.000 1.152 72 A CA 0.276 52.290 52.037 -0.037 0.000 0.728 72 A CB -0.133 18.848 19.000 -0.032 0.000 0.814 72 A HN 0.206 nan 8.150 nan 0.000 0.464 73 A N 0.930 123.716 122.820 -0.056 0.000 2.350 73 A HA 0.444 4.767 4.320 0.006 0.000 0.293 73 A C 0.911 178.444 177.584 -0.085 0.000 1.231 73 A CA 0.181 52.172 52.037 -0.076 0.000 0.883 73 A CB -0.022 18.929 19.000 -0.081 0.000 1.133 73 A HN 0.630 nan 8.150 nan 0.000 0.533 74 E N 3.083 123.225 120.200 -0.097 0.000 2.099 74 E HA -0.015 4.338 4.350 0.006 0.000 0.191 74 E C 0.637 177.160 176.600 -0.127 0.000 0.962 74 E CA 0.501 56.844 56.400 -0.095 0.000 0.826 74 E CB -0.110 29.542 29.700 -0.080 0.000 0.788 74 E HN 0.617 nan 8.360 nan 0.000 0.461 75 K N 0.890 121.170 120.400 -0.201 0.000 2.437 75 K HA 0.167 4.491 4.320 0.006 0.000 0.198 75 K C 0.042 176.460 176.600 -0.303 0.000 1.024 75 K CA -0.333 55.777 56.287 -0.294 0.000 1.148 75 K CB 0.251 32.400 32.500 -0.584 0.000 0.860 75 K HN 0.100 nan 8.250 nan 0.000 0.515 76 L N 1.868 122.956 121.223 -0.225 0.000 2.530 76 L HA -0.035 4.308 4.340 0.006 0.000 0.273 76 L C 0.987 177.720 176.870 -0.228 0.000 1.141 76 L CA 0.360 55.066 54.840 -0.225 0.000 0.905 76 L CB 0.934 42.899 42.059 -0.157 0.000 1.202 76 L HN -0.093 nan 8.230 nan 0.000 0.473 77 V N 5.216 124.916 119.914 -0.357 0.000 2.795 77 V HA 0.602 4.725 4.120 0.006 0.000 0.243 77 V C 0.714 176.660 176.094 -0.247 0.000 1.069 77 V CA 0.913 63.029 62.300 -0.306 0.000 1.089 77 V CB 0.443 32.040 31.823 -0.377 0.000 0.756 77 V HN 0.916 nan 8.190 nan 0.000 0.471 78 A N -0.289 122.372 122.820 -0.265 0.000 2.574 78 A HA 0.740 5.063 4.320 0.006 0.000 0.297 78 A C -1.273 176.348 177.584 0.062 0.000 1.062 78 A CA -0.554 51.438 52.037 -0.074 0.000 0.686 78 A CB 1.380 20.500 19.000 0.200 0.000 1.285 78 A HN 0.262 nan 8.150 nan 0.000 0.403 79 I N 1.246 121.782 120.570 -0.056 0.000 2.404 79 I HA 0.578 4.751 4.170 0.006 0.000 0.293 79 I C 0.620 176.780 176.117 0.071 0.000 0.992 79 I CA -0.474 60.830 61.300 0.006 0.000 1.149 79 I CB 2.250 40.201 38.000 -0.081 0.000 1.315 79 I HN 0.768 nan 8.210 nan 0.000 0.446 80 G N 5.025 113.917 108.800 0.152 0.000 2.675 80 G HA2 0.432 4.396 3.960 0.006 0.000 0.297 80 G HA3 0.432 4.396 3.960 0.006 0.000 0.297 80 G C -1.069 173.896 174.900 0.107 0.000 1.399 80 G CA -0.216 44.959 45.100 0.124 0.000 0.981 80 G HN 0.643 nan 8.290 nan 0.000 0.519 81 C N 3.052 122.351 119.300 -0.002 0.000 2.227 81 C HA 0.261 4.725 4.460 0.006 0.000 0.333 81 C C 0.221 175.191 174.990 -0.032 0.000 1.145 81 C CA -0.734 58.303 59.018 0.033 0.000 1.643 81 C CB -1.502 26.228 27.740 -0.015 0.000 2.185 81 C HN 0.646 nan 8.230 nan 0.000 0.497 82 F N 3.284 123.241 119.950 0.012 0.000 2.651 82 F HA 0.314 4.844 4.527 0.005 0.000 0.369 82 F C 1.334 177.128 175.800 -0.010 0.000 1.187 82 F CA -0.087 57.919 58.000 0.010 0.000 1.335 82 F CB -0.529 38.490 39.000 0.031 0.000 1.707 82 F HN 0.800 nan 8.300 nan 0.000 0.637 83 C N -1.212 118.116 119.300 0.047 0.000 3.211 83 C HA 0.424 4.888 4.460 0.006 0.000 0.350 83 C C 1.164 176.126 174.990 -0.046 0.000 1.413 83 C CA -1.397 57.628 59.018 0.011 0.000 1.203 83 C CB 0.704 28.453 27.740 0.014 0.000 1.506 83 C HN 0.534 nan 8.230 nan 0.000 0.448 84 I N 0.771 121.307 120.570 -0.057 0.000 3.226 84 I HA 0.444 4.617 4.170 0.006 0.000 0.277 84 I C 0.788 176.849 176.117 -0.093 0.000 1.243 84 I CA 1.090 62.326 61.300 -0.106 0.000 1.459 84 I CB -0.433 37.495 38.000 -0.120 0.000 1.093 84 I HN 0.935 nan 8.210 nan 0.000 0.453 85 G N 0.130 108.897 108.800 -0.055 0.000 2.420 85 G HA2 0.401 4.365 3.960 0.006 0.000 0.284 85 G HA3 0.401 4.365 3.960 0.006 0.000 0.284 85 G C 0.001 174.874 174.900 -0.046 0.000 1.177 85 G CA -0.030 45.045 45.100 -0.042 0.000 0.841 85 G HN 0.129 nan 8.290 nan 0.000 0.527 86 T N 0.088 114.617 114.554 -0.042 0.000 3.130 86 T HA 0.015 4.369 4.350 0.006 0.000 0.288 86 T C 1.817 176.501 174.700 -0.027 0.000 0.936 86 T CA 0.207 62.281 62.100 -0.044 0.000 0.897 86 T CB -0.199 68.631 68.868 -0.063 0.000 1.178 86 T HN 0.619 nan 8.240 nan 0.000 0.543 87 N N 1.705 120.400 118.700 -0.009 0.000 2.573 87 N HA -0.107 4.637 4.740 0.006 0.000 0.187 87 N C 1.683 177.220 175.510 0.045 0.000 1.107 87 N CA 0.548 53.607 53.050 0.014 0.000 0.918 87 N CB -0.333 38.169 38.487 0.025 0.000 0.966 87 N HN 0.454 nan 8.380 nan 0.000 0.448 88 Q N 0.288 120.105 119.800 0.029 0.000 2.482 88 Q HA 0.008 4.352 4.340 0.006 0.000 0.209 88 Q C 0.336 176.373 176.000 0.062 0.000 0.961 88 Q CA 0.350 56.186 55.803 0.055 0.000 0.945 88 Q CB -0.432 28.215 28.738 -0.153 0.000 1.012 88 Q HN 0.399 nan 8.270 nan 0.000 0.515 89 V N -1.377 118.550 119.914 0.022 0.000 2.735 89 V HA 0.448 4.571 4.120 0.006 0.000 0.310 89 V C -0.993 175.100 176.094 -0.001 0.000 1.061 89 V CA -1.164 61.140 62.300 0.007 0.000 0.913 89 V CB 2.047 33.855 31.823 -0.025 0.000 1.005 89 V HN -0.087 nan 8.190 nan 0.000 0.428 90 D N 3.663 124.062 120.400 -0.003 0.000 2.398 90 D HA 0.174 4.817 4.640 0.006 0.000 0.250 90 D C 0.970 177.254 176.300 -0.027 0.000 1.287 90 D CA -0.072 53.921 54.000 -0.011 0.000 0.992 90 D CB 0.852 41.645 40.800 -0.010 0.000 1.071 90 D HN 0.530 nan 8.370 nan 0.000 0.514 91 L N 3.504 124.708 121.223 -0.031 0.000 1.990 91 L HA -0.216 4.127 4.340 0.006 0.000 0.213 91 L C 1.672 178.521 176.870 -0.035 0.000 1.072 91 L CA 1.881 56.695 54.840 -0.043 0.000 0.755 91 L CB -0.796 41.238 42.059 -0.042 0.000 0.889 91 L HN 0.432 nan 8.230 nan 0.000 0.432 92 D N -0.771 119.613 120.400 -0.027 0.000 2.097 92 D HA -0.174 4.469 4.640 0.006 0.000 0.195 92 D C 2.107 178.394 176.300 -0.023 0.000 0.989 92 D CA 1.370 55.355 54.000 -0.024 0.000 0.827 92 D CB -0.249 40.538 40.800 -0.021 0.000 0.966 92 D HN 0.377 nan 8.370 nan 0.000 0.456 93 A N 0.350 123.156 122.820 -0.023 0.000 2.178 93 A HA 0.095 4.418 4.320 0.006 0.000 0.218 93 A C 2.094 179.661 177.584 -0.028 0.000 1.157 93 A CA 1.629 53.652 52.037 -0.023 0.000 0.689 93 A CB -0.517 18.470 19.000 -0.022 0.000 0.787 93 A HN 0.272 nan 8.150 nan 0.000 0.465 94 A N -0.564 122.236 122.820 -0.034 0.000 1.901 94 A HA 0.449 4.772 4.320 0.006 0.000 0.210 94 A C 2.423 180.000 177.584 -0.012 0.000 1.208 94 A CA 1.226 53.235 52.037 -0.046 0.000 0.644 94 A CB -0.910 18.043 19.000 -0.079 0.000 0.863 94 A HN 0.888 nan 8.150 nan 0.000 0.454 95 A N 0.237 123.066 122.820 0.014 0.000 1.902 95 A HA -0.153 4.171 4.320 0.006 0.000 0.217 95 A C 1.930 179.538 177.584 0.039 0.000 1.181 95 A CA 2.168 54.252 52.037 0.079 0.000 0.623 95 A CB -0.414 18.595 19.000 0.015 0.000 0.818 95 A HN 0.325 nan 8.150 nan 0.000 0.443 96 K N -0.151 120.248 120.400 -0.001 0.000 2.281 96 K HA -0.054 4.269 4.320 0.006 0.000 0.203 96 K C 1.549 178.149 176.600 -0.001 0.000 1.046 96 K CA 1.117 57.397 56.287 -0.011 0.000 0.938 96 K CB -0.171 32.319 32.500 -0.016 0.000 0.737 96 K HN 0.526 nan 8.250 nan 0.000 0.458 97 R N -0.823 119.682 120.500 0.008 0.000 2.468 97 R HA 0.179 4.522 4.340 0.006 0.000 0.280 97 R C 0.284 176.602 176.300 0.031 0.000 0.963 97 R CA 0.445 56.547 56.100 0.003 0.000 1.083 97 R CB 0.580 30.867 30.300 -0.021 0.000 1.200 97 R HN 0.220 nan 8.270 nan 0.000 0.541 98 G N 2.150 111.012 108.800 0.105 0.000 2.273 98 G HA2 -0.262 3.701 3.960 0.006 0.000 0.280 98 G HA3 -0.262 3.701 3.960 0.006 0.000 0.280 98 G C -0.023 174.915 174.900 0.063 0.000 1.047 98 G CA 0.038 45.285 45.100 0.244 0.000 0.869 98 G HN 0.310 nan 8.290 nan 0.000 0.502 99 I N 1.812 122.355 120.570 -0.045 0.000 2.420 99 I HA 0.315 4.488 4.170 0.006 0.000 0.282 99 I C -1.987 173.831 176.117 -0.498 0.000 1.019 99 I CA -2.402 58.720 61.300 -0.297 0.000 1.130 99 I CB 2.343 40.232 38.000 -0.185 0.000 1.262 99 I HN -0.039 nan 8.210 nan 0.000 0.454 100 P HA 0.198 nan 4.420 nan 0.000 0.281 100 P C -0.915 175.842 177.300 -0.905 0.000 1.249 100 P CA -0.372 62.062 63.100 -1.111 0.000 0.810 100 P CB 2.661 33.312 31.700 -1.749 0.000 1.008 101 V N 3.286 122.735 119.914 -0.775 0.000 2.540 101 V HA 0.601 4.725 4.120 0.006 0.000 0.302 101 V C -1.365 174.303 176.094 -0.710 0.000 1.035 101 V CA -0.684 61.255 62.300 -0.601 0.000 0.873 101 V CB 0.563 32.213 31.823 -0.289 0.000 0.992 101 V HN 0.262 nan 8.190 nan 0.000 0.428 102 F N 6.156 125.996 119.950 -0.182 0.000 2.541 102 F HA 0.747 5.277 4.527 0.005 0.000 0.331 102 F C 0.507 176.196 175.800 -0.185 0.000 1.057 102 F CA -0.495 57.397 58.000 -0.181 0.000 0.975 102 F CB 1.890 40.768 39.000 -0.203 0.000 1.246 102 F HN 0.817 nan 8.300 nan 0.000 0.484 103 N N 0.181 118.892 118.700 0.018 0.000 3.344 103 N HA 0.645 5.388 4.740 0.006 0.000 0.296 103 N C -2.016 173.419 175.510 -0.124 0.000 1.571 103 N CA -0.908 52.088 53.050 -0.090 0.000 0.844 103 N CB 1.478 39.907 38.487 -0.095 0.000 1.718 103 N HN 0.606 nan 8.380 nan 0.000 0.589 104 A N 0.470 123.205 122.820 -0.141 0.000 2.644 104 A HA 0.569 4.893 4.320 0.006 0.000 0.343 104 A C -1.943 175.531 177.584 -0.184 0.000 1.324 104 A CA -1.480 50.474 52.037 -0.138 0.000 0.846 104 A CB 0.499 19.434 19.000 -0.108 0.000 1.128 104 A HN 0.519 nan 8.150 nan 0.000 0.484 105 P HA -0.180 nan 4.420 nan 0.000 0.214 105 P C 0.074 176.877 177.300 -0.828 0.000 1.172 105 P CA 1.801 64.555 63.100 -0.577 0.000 0.925 105 P CB 0.028 31.403 31.700 -0.542 0.000 0.793 106 F N -2.199 117.665 119.950 -0.145 0.000 2.577 106 F HA 0.219 4.749 4.527 0.006 0.000 0.342 106 F C 0.963 176.699 175.800 -0.107 0.000 1.479 106 F CA -0.368 57.513 58.000 -0.198 0.000 1.110 106 F CB -0.489 38.267 39.000 -0.406 0.000 1.306 106 F HN -0.166 nan 8.300 nan 0.000 0.554 107 S N -1.012 114.702 115.700 0.023 0.000 2.593 107 S HA 0.006 4.479 4.470 0.006 0.000 0.217 107 S C 0.668 175.279 174.600 0.020 0.000 0.966 107 S CA 0.145 58.355 58.200 0.016 0.000 0.914 107 S CB -0.607 62.583 63.200 -0.016 0.000 0.776 107 S HN 0.672 nan 8.310 nan 0.000 0.523 108 N N -0.022 118.697 118.700 0.032 0.000 2.595 108 N HA 0.016 4.759 4.740 0.006 0.000 0.291 108 N C 0.693 176.216 175.510 0.022 0.000 1.706 108 N CA 0.372 53.435 53.050 0.022 0.000 0.867 108 N CB 0.309 38.809 38.487 0.022 0.000 1.414 108 N HN 0.275 nan 8.380 nan 0.000 0.492 109 T N -1.335 113.233 114.554 0.022 0.000 2.857 109 T HA -0.129 4.224 4.350 0.006 0.000 0.266 109 T C 1.956 176.637 174.700 -0.031 0.000 1.048 109 T CA 0.819 62.917 62.100 -0.004 0.000 1.139 109 T CB -0.094 68.773 68.868 -0.000 0.000 0.874 109 T HN 0.089 nan 8.240 nan 0.000 0.455 110 R N 1.673 122.159 120.500 -0.024 0.000 2.120 110 R HA 0.087 4.430 4.340 0.006 0.000 0.234 110 R C 2.526 178.812 176.300 -0.023 0.000 1.123 110 R CA 1.575 57.657 56.100 -0.030 0.000 0.975 110 R CB -1.201 29.084 30.300 -0.024 0.000 0.866 110 R HN 0.472 nan 8.270 nan 0.000 0.446 111 S N -0.619 115.074 115.700 -0.011 0.000 2.348 111 S HA -0.098 4.376 4.470 0.006 0.000 0.221 111 S C 1.905 176.507 174.600 0.002 0.000 1.033 111 S CA 1.457 59.656 58.200 -0.001 0.000 1.010 111 S CB -0.316 62.889 63.200 0.007 0.000 0.891 111 S HN 0.164 nan 8.310 nan 0.000 0.442 112 V N 2.080 121.995 119.914 0.002 0.000 2.490 112 V HA -0.180 3.943 4.120 0.006 0.000 0.250 112 V C 2.574 178.662 176.094 -0.009 0.000 1.061 112 V CA 1.563 63.869 62.300 0.011 0.000 1.064 112 V CB -1.270 30.564 31.823 0.018 0.000 0.670 112 V HN 0.524 nan 8.190 nan 0.000 0.461 113 A N -0.158 122.633 122.820 -0.048 0.000 1.858 113 A HA -0.217 4.106 4.320 0.006 0.000 0.216 113 A C 2.213 179.783 177.584 -0.023 0.000 1.190 113 A CA 1.751 53.752 52.037 -0.062 0.000 0.617 113 A CB -0.459 18.491 19.000 -0.084 0.000 0.827 113 A HN 0.583 nan 8.150 nan 0.000 0.443 114 E N -0.634 119.556 120.200 -0.017 0.000 2.085 114 E HA -0.223 4.131 4.350 0.006 0.000 0.194 114 E C 2.004 178.606 176.600 0.005 0.000 0.994 114 E CA 1.334 57.730 56.400 -0.006 0.000 0.801 114 E CB -0.381 29.315 29.700 -0.006 0.000 0.743 114 E HN 0.500 nan 8.360 nan 0.000 0.453 115 L N 1.013 122.242 121.223 0.010 0.000 1.990 115 L HA -0.203 4.141 4.340 0.006 0.000 0.213 115 L C 2.366 179.250 176.870 0.023 0.000 1.072 115 L CA 1.489 56.340 54.840 0.018 0.000 0.755 115 L CB -0.360 41.713 42.059 0.023 0.000 0.889 115 L HN -0.073 nan 8.230 nan 0.000 0.432 116 V N -0.414 119.522 119.914 0.036 0.000 2.427 116 V HA -0.266 3.858 4.120 0.006 0.000 0.248 116 V C 2.477 178.591 176.094 0.034 0.000 1.051 116 V CA 1.340 63.668 62.300 0.048 0.000 1.048 116 V CB -0.641 31.242 31.823 0.100 0.000 0.666 116 V HN 0.361 nan 8.190 nan 0.000 0.456 117 I N 1.363 121.947 120.570 0.023 0.000 2.142 117 I HA -0.166 4.008 4.170 0.006 0.000 0.240 117 I C 2.680 178.804 176.117 0.013 0.000 1.078 117 I CA 2.203 63.512 61.300 0.015 0.000 1.343 117 I CB -1.835 36.167 38.000 0.004 0.000 1.046 117 I HN 0.384 nan 8.210 nan 0.000 0.405 118 G N 0.218 109.025 108.800 0.012 0.000 2.442 118 G HA2 -0.227 3.737 3.960 0.006 0.000 0.219 118 G HA3 -0.227 3.737 3.960 0.006 0.000 0.219 118 G C 1.582 176.490 174.900 0.013 0.000 1.141 118 G CA 0.485 45.592 45.100 0.011 0.000 0.763 118 G HN 0.453 nan 8.290 nan 0.000 0.554 119 E N 0.156 120.366 120.200 0.015 0.000 2.047 119 E HA -0.115 4.239 4.350 0.006 0.000 0.191 119 E C 2.564 179.173 176.600 0.014 0.000 0.987 119 E CA 1.227 57.636 56.400 0.014 0.000 0.799 119 E CB -0.246 29.462 29.700 0.013 0.000 0.752 119 E HN 0.515 nan 8.360 nan 0.000 0.449 120 L N -0.187 121.046 121.223 0.016 0.000 2.017 120 L HA -0.159 4.184 4.340 0.006 0.000 0.208 120 L C 2.208 179.090 176.870 0.019 0.000 1.073 120 L CA 1.617 56.467 54.840 0.016 0.000 0.745 120 L CB -1.007 41.063 42.059 0.019 0.000 0.894 120 L HN 0.022 nan 8.230 nan 0.000 0.432 121 L N -0.600 120.633 121.223 0.017 0.000 2.021 121 L HA -0.252 4.091 4.340 0.006 0.000 0.215 121 L C 2.764 179.646 176.870 0.020 0.000 1.074 121 L CA 1.754 56.605 54.840 0.018 0.000 0.760 121 L CB -0.650 41.416 42.059 0.012 0.000 0.889 121 L HN 0.391 nan 8.230 nan 0.000 0.433 122 L N -1.059 120.174 121.223 0.016 0.000 2.179 122 L HA -0.168 4.175 4.340 0.006 0.000 0.208 122 L C 2.479 179.360 176.870 0.019 0.000 1.096 122 L CA 0.745 55.594 54.840 0.015 0.000 0.779 122 L CB -0.314 41.752 42.059 0.012 0.000 0.922 122 L HN 0.301 nan 8.230 nan 0.000 0.443 123 L N -0.694 120.542 121.223 0.020 0.000 2.093 123 L HA -0.219 4.124 4.340 0.006 0.000 0.208 123 L C 2.514 179.406 176.870 0.036 0.000 1.085 123 L CA 0.625 55.478 54.840 0.021 0.000 0.755 123 L CB -0.274 41.792 42.059 0.012 0.000 0.904 123 L HN 0.247 nan 8.230 nan 0.000 0.435 124 L N -0.280 120.971 121.223 0.047 0.000 2.083 124 L HA -0.161 4.183 4.340 0.006 0.000 0.209 124 L C 2.465 179.400 176.870 0.109 0.000 1.083 124 L CA 1.677 56.572 54.840 0.092 0.000 0.752 124 L CB -0.792 41.322 42.059 0.091 0.000 0.899 124 L HN 0.164 nan 8.230 nan 0.000 0.433 125 R N -0.663 119.871 120.500 0.056 0.000 2.310 125 R HA 0.199 4.542 4.340 0.006 0.000 0.202 125 R C 1.201 177.501 176.300 -0.000 0.000 0.933 125 R CA 0.701 56.813 56.100 0.020 0.000 1.054 125 R CB -0.328 29.975 30.300 0.004 0.000 0.985 125 R HN 0.442 nan 8.270 nan 0.000 0.489 126 G N 0.546 109.354 108.800 0.014 0.000 2.155 126 G HA2 -0.285 3.678 3.960 0.006 0.000 0.257 126 G HA3 -0.285 3.678 3.960 0.006 0.000 0.257 126 G C 0.965 175.861 174.900 -0.007 0.000 0.983 126 G CA 0.531 45.633 45.100 0.004 0.000 0.676 126 G HN 0.229 nan 8.290 nan 0.000 0.528 127 V N 0.745 120.655 119.914 -0.006 0.000 2.392 127 V HA -0.142 3.981 4.120 0.006 0.000 0.249 127 V C 0.923 177.020 176.094 0.004 0.000 1.059 127 V CA 2.657 64.952 62.300 -0.009 0.000 1.051 127 V CB -0.829 30.991 31.823 -0.006 0.000 0.658 127 V HN 0.416 nan 8.190 nan 0.000 0.455 128 P HA -0.165 nan 4.420 nan 0.000 0.216 128 P C 1.685 179.003 177.300 0.030 0.000 1.153 128 P CA 1.483 64.597 63.100 0.025 0.000 0.848 128 P CB 0.098 31.817 31.700 0.032 0.000 0.787 129 E N -0.195 120.023 120.200 0.030 0.000 2.107 129 E HA -0.121 4.232 4.350 0.006 0.000 0.191 129 E C 1.905 178.517 176.600 0.020 0.000 0.982 129 E CA 1.025 57.446 56.400 0.035 0.000 0.809 129 E CB -0.581 29.142 29.700 0.038 0.000 0.756 129 E HN 0.028 nan 8.360 nan 0.000 0.459 130 A N 1.586 124.403 122.820 -0.005 0.000 1.877 130 A HA -0.247 4.076 4.320 0.006 0.000 0.216 130 A C 2.116 179.698 177.584 -0.004 0.000 1.186 130 A CA 1.668 53.684 52.037 -0.036 0.000 0.620 130 A CB -1.029 17.922 19.000 -0.083 0.000 0.822 130 A HN 0.502 nan 8.150 nan 0.000 0.443 131 N N -0.028 118.688 118.700 0.027 0.000 2.223 131 N HA -0.129 4.614 4.740 0.006 0.000 0.185 131 N C 1.904 177.506 175.510 0.152 0.000 1.016 131 N CA 1.113 54.225 53.050 0.102 0.000 0.863 131 N CB -0.180 38.357 38.487 0.084 0.000 0.983 131 N HN 0.409 nan 8.380 nan 0.000 0.429 132 A N 1.605 124.471 122.820 0.076 0.000 1.858 132 A HA -0.135 4.189 4.320 0.006 0.000 0.216 132 A C 2.131 179.774 177.584 0.098 0.000 1.190 132 A CA 1.279 53.357 52.037 0.068 0.000 0.617 132 A CB -0.378 18.650 19.000 0.047 0.000 0.827 132 A HN 0.314 nan 8.150 nan 0.000 0.443 133 K N -0.262 120.183 120.400 0.074 0.000 2.057 133 K HA -0.001 4.322 4.320 0.006 0.000 0.206 133 K C 2.296 178.950 176.600 0.090 0.000 1.050 133 K CA 1.014 57.344 56.287 0.071 0.000 0.935 133 K CB -0.345 32.184 32.500 0.047 0.000 0.715 133 K HN 0.419 nan 8.250 nan 0.000 0.439 134 A N 1.267 124.137 122.820 0.083 0.000 1.940 134 A HA -0.197 4.126 4.320 0.006 0.000 0.219 134 A C 1.559 179.184 177.584 0.068 0.000 1.176 134 A CA 1.526 53.607 52.037 0.073 0.000 0.631 134 A CB -0.745 18.267 19.000 0.021 0.000 0.814 134 A HN 0.319 nan 8.150 nan 0.000 0.446 135 H N -1.193 117.903 119.070 0.043 0.000 2.563 135 H HA 0.141 4.700 4.556 0.006 0.000 0.272 135 H C 1.176 176.529 175.328 0.042 0.000 1.005 135 H CA 0.765 56.839 56.048 0.042 0.000 1.171 135 H CB 0.082 29.864 29.762 0.033 0.000 1.351 135 H HN 0.386 nan 8.280 nan 0.000 0.602 136 R N -0.536 120.045 120.500 0.136 0.000 2.652 136 R HA 0.191 4.535 4.340 0.006 0.000 0.372 136 R C 0.494 176.840 176.300 0.076 0.000 1.104 136 R CA 0.329 56.485 56.100 0.093 0.000 1.072 136 R CB 0.797 31.145 30.300 0.080 0.000 1.367 136 R HN 0.334 nan 8.270 nan 0.000 0.577 137 G N 0.952 109.797 108.800 0.076 0.000 2.225 137 G HA2 -0.253 3.710 3.960 0.006 0.000 0.267 137 G HA3 -0.253 3.710 3.960 0.006 0.000 0.267 137 G C -0.040 174.922 174.900 0.105 0.000 1.024 137 G CA 0.292 45.439 45.100 0.077 0.000 0.784 137 G HN 0.182 nan 8.290 nan 0.000 0.507 138 V N 0.912 120.899 119.914 0.122 0.000 2.378 138 V HA 0.465 4.589 4.120 0.006 0.000 0.288 138 V C 0.337 176.551 176.094 0.199 0.000 1.016 138 V CA -1.134 61.250 62.300 0.141 0.000 0.840 138 V CB 1.597 33.476 31.823 0.094 0.000 0.994 138 V HN 0.349 nan 8.190 nan 0.000 0.431 139 W N 5.126 126.431 121.300 0.008 0.000 2.311 139 W HA 0.377 5.040 4.660 0.006 0.000 0.310 139 W C -0.160 176.365 176.519 0.010 0.000 1.274 139 W CA -0.126 57.223 57.345 0.006 0.000 1.215 139 W CB 1.225 30.686 29.460 0.001 0.000 1.227 139 W HN 0.642 nan 8.180 nan 0.000 0.523 140 N N 4.278 122.851 118.700 -0.212 0.000 2.752 140 N HA 0.119 4.862 4.740 0.006 0.000 0.260 140 N C 0.070 175.454 175.510 -0.210 0.000 1.562 140 N CA -0.119 52.855 53.050 -0.127 0.000 0.788 140 N CB 0.523 38.965 38.487 -0.074 0.000 1.192 140 N HN 0.282 nan 8.380 nan 0.000 0.503 141 K N 0.875 121.161 120.400 -0.189 0.000 2.630 141 K HA 0.115 4.438 4.320 0.006 0.000 0.204 141 K C -0.186 176.370 176.600 -0.073 0.000 1.024 141 K CA -0.040 56.156 56.287 -0.152 0.000 1.157 141 K CB -0.016 32.452 32.500 -0.052 0.000 0.899 141 K HN 0.284 nan 8.250 nan 0.000 0.501 142 L N 1.285 122.473 121.223 -0.059 0.000 2.583 142 L HA -0.046 4.297 4.340 0.006 0.000 0.280 142 L C 1.235 178.068 176.870 -0.062 0.000 1.261 142 L CA 0.391 55.207 54.840 -0.041 0.000 1.164 142 L CB -0.451 41.593 42.059 -0.024 0.000 1.402 142 L HN 0.117 nan 8.230 nan 0.000 0.443 143 A N 1.954 124.732 122.820 -0.070 0.000 2.276 143 A HA 0.267 4.591 4.320 0.006 0.000 0.212 143 A C 2.190 179.695 177.584 -0.131 0.000 1.230 143 A CA 0.818 52.796 52.037 -0.097 0.000 0.844 143 A CB -0.264 18.684 19.000 -0.087 0.000 0.860 143 A HN 0.660 nan 8.150 nan 0.000 0.486 144 A N -0.235 122.522 122.820 -0.106 0.000 1.898 144 A HA 0.134 4.458 4.320 0.006 0.000 0.216 144 A C 2.137 179.601 177.584 -0.199 0.000 1.181 144 A CA 1.611 53.575 52.037 -0.123 0.000 0.620 144 A CB -0.885 18.080 19.000 -0.058 0.000 0.819 144 A HN 0.753 nan 8.150 nan 0.000 0.442 145 G N -0.641 108.077 108.800 -0.138 0.000 2.985 145 G HA2 0.290 4.254 3.960 0.006 0.000 0.209 145 G HA3 0.290 4.254 3.960 0.006 0.000 0.209 145 G C 0.362 175.130 174.900 -0.220 0.000 1.165 145 G CA 0.428 45.465 45.100 -0.104 0.000 0.776 145 G HN 0.372 nan 8.290 nan 0.000 0.541 146 S N 0.390 115.901 115.700 -0.315 0.000 2.531 146 S HA 0.578 5.051 4.470 0.006 0.000 0.279 146 S C -0.850 173.439 174.600 -0.518 0.000 1.305 146 S CA -0.041 58.007 58.200 -0.253 0.000 1.058 146 S CB 0.719 63.814 63.200 -0.176 0.000 0.899 146 S HN 0.161 nan 8.310 nan 0.000 0.493 147 F N 0.740 120.682 119.950 -0.013 0.000 2.620 147 F HA 0.430 4.960 4.527 0.006 0.000 0.320 147 F C 0.571 176.362 175.800 -0.014 0.000 1.069 147 F CA -1.027 56.967 58.000 -0.011 0.000 0.953 147 F CB 1.426 40.421 39.000 -0.009 0.000 1.322 147 F HN 0.428 nan 8.300 nan 0.000 0.479 148 E N 0.102 120.430 120.200 0.214 0.000 2.214 148 E HA 0.517 4.870 4.350 0.006 0.000 0.274 148 E C 0.112 176.760 176.600 0.080 0.000 0.977 148 E CA -0.426 56.033 56.400 0.100 0.000 0.827 148 E CB 1.911 31.648 29.700 0.061 0.000 1.130 148 E HN 0.720 nan 8.360 nan 0.000 0.394 149 A N 3.598 126.438 122.820 0.034 0.000 1.898 149 A HA -0.131 4.192 4.320 0.006 0.000 0.216 149 A C 1.377 178.935 177.584 -0.042 0.000 1.181 149 A CA 0.757 52.795 52.037 0.002 0.000 0.620 149 A CB -0.201 18.796 19.000 -0.005 0.000 0.819 149 A HN 0.625 nan 8.150 nan 0.000 0.442 150 R N -0.306 120.165 120.500 -0.049 0.000 2.494 150 R HA 0.201 4.544 4.340 0.006 0.000 0.291 150 R C 1.132 177.349 176.300 -0.139 0.000 0.953 150 R CA 1.043 57.083 56.100 -0.101 0.000 1.098 150 R CB -0.317 29.945 30.300 -0.063 0.000 0.911 150 R HN 0.934 nan 8.270 nan 0.000 0.407 151 G N 2.908 111.518 108.800 -0.316 0.000 2.179 151 G HA2 -0.246 3.717 3.960 0.006 0.000 0.260 151 G HA3 -0.246 3.717 3.960 0.006 0.000 0.260 151 G C -0.157 174.611 174.900 -0.220 0.000 0.977 151 G CA 0.299 45.172 45.100 -0.378 0.000 0.641 151 G HN 0.538 nan 8.290 nan 0.000 0.533 152 K N 0.321 120.626 120.400 -0.157 0.000 2.098 152 K HA 0.548 4.871 4.320 0.006 0.000 0.244 152 K C 0.335 176.967 176.600 0.055 0.000 1.014 152 K CA -0.326 55.942 56.287 -0.031 0.000 0.917 152 K CB 0.735 33.209 32.500 -0.043 0.000 1.072 152 K HN 0.285 nan 8.250 nan 0.000 0.477 153 K N 1.238 121.720 120.400 0.138 0.000 2.265 153 K HA 0.346 4.669 4.320 0.006 0.000 0.267 153 K C -0.512 176.197 176.600 0.182 0.000 0.994 153 K CA -0.432 56.010 56.287 0.258 0.000 0.860 153 K CB 1.154 33.850 32.500 0.326 0.000 1.099 153 K HN 0.268 nan 8.250 nan 0.000 0.448 154 L N 3.041 124.383 121.223 0.199 0.000 2.262 154 L HA 0.425 4.769 4.340 0.006 0.000 0.288 154 L C -0.263 176.742 176.870 0.225 0.000 1.035 154 L CA -0.275 54.660 54.840 0.159 0.000 0.820 154 L CB 0.943 43.076 42.059 0.124 0.000 1.204 154 L HN 0.792 nan 8.230 nan 0.000 0.424 155 G N 6.641 115.552 108.800 0.184 0.000 2.356 155 G HA2 0.452 4.416 3.960 0.006 0.000 0.312 155 G HA3 0.452 4.416 3.960 0.006 0.000 0.312 155 G C -0.382 174.639 174.900 0.200 0.000 1.096 155 G CA -0.442 44.780 45.100 0.204 0.000 0.950 155 G HN 0.617 nan 8.290 nan 0.000 0.428 156 I N 3.486 124.225 120.570 0.282 0.000 2.307 156 I HA 0.240 4.413 4.170 0.006 0.000 0.289 156 I C -0.057 176.255 176.117 0.326 0.000 1.021 156 I CA -0.457 61.024 61.300 0.301 0.000 1.224 156 I CB 1.492 39.717 38.000 0.375 0.000 1.376 156 I HN 0.274 nan 8.210 nan 0.000 0.470 157 I N 6.469 127.181 120.570 0.237 0.000 2.281 157 I HA 0.385 4.559 4.170 0.006 0.000 0.293 157 I C 0.641 176.896 176.117 0.229 0.000 1.085 157 I CA -0.082 61.373 61.300 0.258 0.000 1.257 157 I CB 0.643 38.752 38.000 0.181 0.000 1.430 157 I HN 0.874 nan 8.210 nan 0.000 0.489 158 G N 4.806 113.763 108.800 0.262 0.000 2.599 158 G HA2 -0.249 3.715 3.960 0.006 0.000 0.440 158 G HA3 -0.249 3.715 3.960 0.006 0.000 0.440 158 G C -0.684 174.343 174.900 0.212 0.000 1.018 158 G CA -0.864 44.361 45.100 0.208 0.000 1.311 158 G HN 0.563 nan 8.290 nan 0.000 0.604 159 Y N 2.402 122.713 120.300 0.019 0.000 2.851 159 Y HA 0.458 5.011 4.550 0.006 0.000 0.369 159 Y C 1.267 177.061 175.900 -0.176 0.000 1.226 159 Y CA 0.733 58.730 58.100 -0.173 0.000 1.949 159 Y CB -0.238 37.910 38.460 -0.519 0.000 2.059 159 Y HN 0.607 nan 8.280 nan 0.000 0.420 160 G N 0.143 108.850 108.800 -0.156 0.000 2.773 160 G HA2 0.003 3.966 3.960 0.006 0.000 0.186 160 G HA3 0.003 3.966 3.960 0.006 0.000 0.186 160 G C 0.833 175.546 174.900 -0.311 0.000 1.411 160 G CA -0.261 44.735 45.100 -0.173 0.000 1.054 160 G HN 0.543 nan 8.290 nan 0.000 0.579 161 H N -0.759 118.125 119.070 -0.309 0.000 2.387 161 H HA -0.050 4.510 4.556 0.006 0.000 0.299 161 H C 2.496 177.641 175.328 -0.305 0.000 1.099 161 H CA 1.637 57.477 56.048 -0.347 0.000 1.315 161 H CB 0.234 29.753 29.762 -0.405 0.000 1.380 161 H HN 0.192 nan 8.280 nan 0.000 0.513 162 I N -0.480 119.993 120.570 -0.161 0.000 2.494 162 I HA -0.049 4.124 4.170 0.006 0.000 0.250 162 I C 2.860 178.711 176.117 -0.443 0.000 1.112 162 I CA 0.665 61.782 61.300 -0.305 0.000 1.438 162 I CB -0.355 37.423 38.000 -0.371 0.000 1.111 162 I HN 0.158 nan 8.210 nan 0.000 0.431 163 G N 1.383 109.943 108.800 -0.401 0.000 2.476 163 G HA2 -0.341 3.622 3.960 0.006 0.000 0.218 163 G HA3 -0.341 3.622 3.960 0.006 0.000 0.218 163 G C 1.762 176.333 174.900 -0.549 0.000 1.164 163 G CA 1.855 46.746 45.100 -0.348 0.000 0.768 163 G HN 0.448 nan 8.290 nan 0.000 0.560 164 T N -1.779 112.266 114.554 -0.849 0.000 2.881 164 T HA -0.115 4.239 4.350 0.006 0.000 0.270 164 T C 2.202 176.661 174.700 -0.401 0.000 1.068 164 T CA 1.853 63.441 62.100 -0.853 0.000 1.131 164 T CB -0.104 68.288 68.868 -0.793 0.000 0.871 164 T HN 0.344 nan 8.240 nan 0.000 0.479 165 Q N 0.550 120.157 119.800 -0.322 0.000 2.089 165 Q HA 0.195 4.538 4.340 0.006 0.000 0.195 165 Q C 2.140 178.046 176.000 -0.157 0.000 0.963 165 Q CA 0.871 56.552 55.803 -0.203 0.000 0.834 165 Q CB -0.741 27.891 28.738 -0.177 0.000 0.906 165 Q HN 0.474 nan 8.270 nan 0.000 0.452 166 L N 0.177 121.291 121.223 -0.182 0.000 2.079 166 L HA -0.014 4.329 4.340 0.006 0.000 0.210 166 L C 1.947 178.789 176.870 -0.047 0.000 1.081 166 L CA 2.542 57.319 54.840 -0.105 0.000 0.752 166 L CB -1.160 40.835 42.059 -0.107 0.000 0.896 166 L HN 0.318 nan 8.230 nan 0.000 0.433 167 G N -0.248 108.520 108.800 -0.053 0.000 2.421 167 G HA2 -0.256 3.707 3.960 0.006 0.000 0.216 167 G HA3 -0.256 3.707 3.960 0.006 0.000 0.216 167 G C 1.635 176.536 174.900 0.001 0.000 1.171 167 G CA 1.171 46.282 45.100 0.018 0.000 0.775 167 G HN 0.488 nan 8.290 nan 0.000 0.543 168 I N 0.450 120.998 120.570 -0.037 0.000 2.127 168 I HA -0.188 3.985 4.170 0.006 0.000 0.241 168 I C 2.780 178.883 176.117 -0.024 0.000 1.075 168 I CA 0.875 62.156 61.300 -0.030 0.000 1.334 168 I CB -0.279 37.689 38.000 -0.053 0.000 1.040 168 I HN 0.135 nan 8.210 nan 0.000 0.405 169 L N 0.447 121.652 121.223 -0.031 0.000 2.017 169 L HA -0.221 4.122 4.340 0.006 0.000 0.208 169 L C 2.909 179.770 176.870 -0.015 0.000 1.073 169 L CA 1.411 56.237 54.840 -0.024 0.000 0.745 169 L CB -0.887 41.156 42.059 -0.026 0.000 0.894 169 L HN 0.262 nan 8.230 nan 0.000 0.432 170 A N -0.119 122.697 122.820 -0.008 0.000 1.917 170 A HA -0.258 4.065 4.320 0.006 0.000 0.219 170 A C 2.185 179.760 177.584 -0.015 0.000 1.182 170 A CA 1.933 53.968 52.037 -0.003 0.000 0.633 170 A CB -0.512 18.500 19.000 0.020 0.000 0.819 170 A HN 0.490 nan 8.150 nan 0.000 0.448 171 E N -0.252 119.943 120.200 -0.008 0.000 2.110 171 E HA -0.114 4.239 4.350 0.006 0.000 0.193 171 E C 2.247 178.834 176.600 -0.021 0.000 0.988 171 E CA 1.237 57.631 56.400 -0.010 0.000 0.804 171 E CB -0.184 29.520 29.700 0.007 0.000 0.745 171 E HN 0.608 nan 8.360 nan 0.000 0.458 172 S N 0.979 116.668 115.700 -0.018 0.000 2.419 172 S HA -0.066 4.408 4.470 0.006 0.000 0.233 172 S C 1.878 176.462 174.600 -0.026 0.000 1.016 172 S CA 0.670 58.858 58.200 -0.019 0.000 0.974 172 S CB -0.048 63.142 63.200 -0.016 0.000 0.786 172 S HN 0.217 nan 8.310 nan 0.000 0.492 173 L N 0.424 121.628 121.223 -0.032 0.000 2.554 173 L HA 0.182 4.526 4.340 0.006 0.000 0.226 173 L C 1.681 178.514 176.870 -0.062 0.000 1.137 173 L CA 0.476 55.293 54.840 -0.037 0.000 0.863 173 L CB -0.459 41.581 42.059 -0.030 0.000 0.985 173 L HN 0.511 nan 8.230 nan 0.000 0.451 174 G N -0.373 108.378 108.800 -0.082 0.000 2.144 174 G HA2 -0.247 3.716 3.960 0.006 0.000 0.218 174 G HA3 -0.247 3.716 3.960 0.006 0.000 0.218 174 G C 0.245 174.978 174.900 -0.278 0.000 0.988 174 G CA -0.205 44.811 45.100 -0.140 0.000 0.659 174 G HN 0.184 nan 8.290 nan 0.000 0.522 175 M N -0.394 119.078 119.600 -0.214 0.000 2.197 175 M HA 0.580 5.064 4.480 0.006 0.000 0.305 175 M C -0.006 176.139 176.300 -0.258 0.000 1.162 175 M CA -0.408 54.733 55.300 -0.264 0.000 1.099 175 M CB 0.553 33.096 32.600 -0.096 0.000 1.430 175 M HN 0.054 nan 8.290 nan 0.000 0.481 176 Y N 0.462 120.753 120.300 -0.015 0.000 2.331 176 Y HA 0.487 5.041 4.550 0.006 0.000 0.338 176 Y C -0.088 175.732 175.900 -0.133 0.000 0.992 176 Y CA -1.524 56.518 58.100 -0.097 0.000 1.121 176 Y CB 1.007 39.427 38.460 -0.068 0.000 1.184 176 Y HN 0.351 nan 8.280 nan 0.000 0.469 177 V N 1.531 121.409 119.914 -0.061 0.000 2.483 177 V HA 0.686 4.809 4.120 0.006 0.000 0.295 177 V C -1.485 174.478 176.094 -0.217 0.000 1.035 177 V CA -1.038 61.246 62.300 -0.027 0.000 0.896 177 V CB 1.196 33.076 31.823 0.094 0.000 0.986 177 V HN 0.582 nan 8.190 nan 0.000 0.447 178 Y N 5.128 125.538 120.300 0.182 0.000 2.442 178 Y HA 0.799 5.352 4.550 0.006 0.000 0.344 178 Y C -0.330 175.699 175.900 0.215 0.000 0.976 178 Y CA -0.933 57.235 58.100 0.115 0.000 1.040 178 Y CB 2.218 40.704 38.460 0.044 0.000 1.228 178 Y HN 0.894 nan 8.280 nan 0.000 0.451 179 F N 0.764 120.802 119.950 0.147 0.000 2.588 179 F HA 0.724 5.255 4.527 0.006 0.000 0.314 179 F C -1.953 173.926 175.800 0.131 0.000 1.069 179 F CA -1.858 56.215 58.000 0.123 0.000 0.931 179 F CB 1.517 40.529 39.000 0.020 0.000 1.260 179 F HN 0.394 nan 8.300 nan 0.000 0.465 180 Y N 2.626 123.057 120.300 0.218 0.000 2.332 180 Y HA 0.484 5.037 4.550 0.006 0.000 0.326 180 Y C -1.503 174.516 175.900 0.198 0.000 0.978 180 Y CA -0.750 57.406 58.100 0.094 0.000 1.205 180 Y CB 0.809 39.304 38.460 0.057 0.000 1.131 180 Y HN 0.892 nan 8.280 nan 0.000 0.462 181 D N 4.857 125.037 120.400 -0.367 0.000 2.423 181 D HA 0.292 4.935 4.640 0.006 0.000 0.235 181 D C 0.491 176.512 176.300 -0.464 0.000 1.011 181 D CA -0.388 53.474 54.000 -0.231 0.000 0.963 181 D CB 2.180 43.035 40.800 0.092 0.000 1.349 181 D HN 0.594 nan 8.370 nan 0.000 0.508 182 I N 0.503 120.935 120.570 -0.230 0.000 2.584 182 I HA -0.012 4.161 4.170 0.006 0.000 0.255 182 I C 0.856 176.916 176.117 -0.095 0.000 1.145 182 I CA 0.871 62.073 61.300 -0.163 0.000 1.462 182 I CB -0.164 37.809 38.000 -0.045 0.000 1.102 182 I HN 0.447 nan 8.210 nan 0.000 0.433 183 E N 2.451 122.621 120.200 -0.050 0.000 2.092 183 E HA 0.060 4.413 4.350 0.006 0.000 0.271 183 E C 0.108 176.706 176.600 -0.004 0.000 0.919 183 E CA -0.429 55.961 56.400 -0.017 0.000 0.760 183 E CB 0.622 30.327 29.700 0.009 0.000 1.106 183 E HN 0.093 nan 8.360 nan 0.000 0.408 184 N N 5.131 123.821 118.700 -0.016 0.000 2.374 184 N HA -0.070 4.674 4.740 0.006 0.000 0.269 184 N C -0.897 174.636 175.510 0.039 0.000 1.310 184 N CA 0.706 53.755 53.050 -0.001 0.000 0.877 184 N CB 0.423 38.896 38.487 -0.023 0.000 1.096 184 N HN 0.498 nan 8.380 nan 0.000 0.484 185 K N 2.755 123.214 120.400 0.099 0.000 2.395 185 K HA 0.318 4.642 4.320 0.006 0.000 0.245 185 K C -0.414 176.252 176.600 0.109 0.000 1.017 185 K CA -0.967 55.377 56.287 0.095 0.000 0.852 185 K CB 1.232 33.793 32.500 0.101 0.000 1.311 185 K HN 0.241 nan 8.250 nan 0.000 0.452 186 L N 3.682 124.946 121.223 0.069 0.000 2.385 186 L HA 0.209 4.553 4.340 0.006 0.000 0.281 186 L C -2.037 174.878 176.870 0.075 0.000 1.106 186 L CA -1.214 53.663 54.840 0.062 0.000 0.856 186 L CB 0.196 42.274 42.059 0.032 0.000 1.186 186 L HN 0.565 nan 8.230 nan 0.000 0.453 187 P HA 0.099 nan 4.420 nan 0.000 0.276 187 P C -0.637 176.714 177.300 0.085 0.000 1.243 187 P CA -0.626 62.509 63.100 0.058 0.000 0.768 187 P CB 1.453 33.264 31.700 0.184 0.000 0.856 188 L N 3.793 125.102 121.223 0.144 0.000 2.334 188 L HA 0.615 4.959 4.340 0.006 0.000 0.277 188 L C 0.869 177.793 176.870 0.089 0.000 1.075 188 L CA 1.119 56.013 54.840 0.090 0.000 0.804 188 L CB 0.237 42.324 42.059 0.047 0.000 1.174 188 L HN 0.892 nan 8.230 nan 0.000 0.438 189 G N 4.330 113.158 108.800 0.047 0.000 2.601 189 G HA2 -0.320 3.643 3.960 0.006 0.000 0.252 189 G HA3 -0.320 3.643 3.960 0.006 0.000 0.252 189 G C 0.208 175.133 174.900 0.041 0.000 1.294 189 G CA 0.202 45.325 45.100 0.040 0.000 0.912 189 G HN 0.791 nan 8.290 nan 0.000 0.574 190 N N 1.614 120.333 118.700 0.033 0.000 2.375 190 N HA 0.453 5.196 4.740 0.006 0.000 0.220 190 N C 0.886 176.394 175.510 -0.004 0.000 1.170 190 N CA 0.840 53.897 53.050 0.012 0.000 0.833 190 N CB 0.035 38.527 38.487 0.009 0.000 1.069 190 N HN 1.022 nan 8.380 nan 0.000 0.479 191 A N 0.086 122.938 122.820 0.054 0.000 2.445 191 A HA 0.404 4.727 4.320 0.006 0.000 0.242 191 A C 0.355 177.978 177.584 0.065 0.000 1.075 191 A CA 0.193 52.294 52.037 0.107 0.000 0.777 191 A CB 0.262 19.396 19.000 0.222 0.000 1.013 191 A HN 0.169 nan 8.150 nan 0.000 0.493 192 T N 2.411 116.937 114.554 -0.046 0.000 2.812 192 T HA 0.395 4.749 4.350 0.006 0.000 0.282 192 T C -0.269 174.129 174.700 -0.503 0.000 0.990 192 T CA -0.288 61.719 62.100 -0.154 0.000 0.960 192 T CB 1.216 70.078 68.868 -0.011 0.000 0.948 192 T HN 0.733 nan 8.240 nan 0.000 0.438 193 Q N 2.672 121.985 119.800 -0.812 0.000 2.286 193 Q HA 0.469 4.813 4.340 0.006 0.000 0.257 193 Q C -0.751 174.964 176.000 -0.475 0.000 0.941 193 Q CA -0.440 54.644 55.803 -1.199 0.000 0.912 193 Q CB 0.612 28.778 28.738 -0.952 0.000 1.192 193 Q HN 0.487 nan 8.270 nan 0.000 0.410 194 V N 4.435 124.158 119.914 -0.317 0.000 2.539 194 V HA 0.053 4.176 4.120 0.006 0.000 0.292 194 V C 0.888 176.971 176.094 -0.018 0.000 1.045 194 V CA -0.333 61.911 62.300 -0.093 0.000 0.945 194 V CB 1.562 33.383 31.823 -0.003 0.000 0.993 194 V HN 0.964 nan 8.190 nan 0.000 0.464 195 Q N 1.143 120.902 119.800 -0.068 0.000 2.046 195 Q HA -0.025 4.318 4.340 0.006 0.000 0.200 195 Q C -0.122 175.793 176.000 -0.141 0.000 0.975 195 Q CA 1.383 57.080 55.803 -0.177 0.000 0.836 195 Q CB 0.139 28.670 28.738 -0.344 0.000 0.896 195 Q HN 0.799 nan 8.270 nan 0.000 0.428 196 H N -1.682 117.433 119.070 0.075 0.000 2.771 196 H HA 0.202 4.761 4.556 0.006 0.000 0.367 196 H C 0.518 175.607 175.328 -0.399 0.000 1.172 196 H CA -0.670 55.328 56.048 -0.083 0.000 1.186 196 H CB 1.600 31.307 29.762 -0.093 0.000 1.790 196 H HN -0.072 nan 8.280 nan 0.000 0.556 197 L N 0.317 121.193 121.223 -0.579 0.000 2.072 197 L HA -0.167 4.177 4.340 0.006 0.000 0.205 197 L C 2.169 178.886 176.870 -0.255 0.000 1.079 197 L CA 1.456 55.918 54.840 -0.629 0.000 0.752 197 L CB -0.306 41.416 42.059 -0.562 0.000 0.906 197 L HN 0.742 nan 8.230 nan 0.000 0.436 198 S N -0.769 114.831 115.700 -0.167 0.000 2.374 198 S HA -0.243 4.231 4.470 0.006 0.000 0.227 198 S C 1.530 176.071 174.600 -0.099 0.000 1.037 198 S CA 1.553 59.680 58.200 -0.122 0.000 1.024 198 S CB -0.529 62.588 63.200 -0.138 0.000 0.861 198 S HN 0.400 nan 8.310 nan 0.000 0.456 199 D N 1.726 122.082 120.400 -0.073 0.000 2.078 199 D HA -0.025 4.619 4.640 0.006 0.000 0.193 199 D C 2.012 178.242 176.300 -0.117 0.000 0.990 199 D CA 1.225 55.179 54.000 -0.076 0.000 0.827 199 D CB -0.679 40.102 40.800 -0.032 0.000 0.975 199 D HN 0.397 nan 8.370 nan 0.000 0.451 200 L N 0.231 121.386 121.223 -0.113 0.000 1.989 200 L HA -0.211 4.133 4.340 0.006 0.000 0.211 200 L C 2.208 179.026 176.870 -0.087 0.000 1.071 200 L CA 1.171 55.949 54.840 -0.104 0.000 0.749 200 L CB -0.221 41.817 42.059 -0.035 0.000 0.890 200 L HN -0.035 nan 8.230 nan 0.000 0.431 201 L N 0.161 121.333 121.223 -0.085 0.000 2.012 201 L HA -0.256 4.088 4.340 0.006 0.000 0.210 201 L C 2.308 179.143 176.870 -0.058 0.000 1.073 201 L CA 2.112 56.914 54.840 -0.063 0.000 0.748 201 L CB -1.268 40.752 42.059 -0.064 0.000 0.891 201 L HN 0.459 nan 8.230 nan 0.000 0.431 202 N N -1.373 117.286 118.700 -0.068 0.000 2.459 202 N HA -0.172 4.571 4.740 0.006 0.000 0.181 202 N C 1.703 177.167 175.510 -0.077 0.000 1.046 202 N CA 0.797 53.812 53.050 -0.060 0.000 0.904 202 N CB 0.022 38.472 38.487 -0.062 0.000 0.964 202 N HN 0.371 nan 8.380 nan 0.000 0.444 203 M N -1.204 118.332 119.600 -0.106 0.000 2.567 203 M HA 0.246 4.729 4.480 0.006 0.000 0.261 203 M C -0.263 175.975 176.300 -0.103 0.000 1.180 203 M CA 0.094 55.311 55.300 -0.138 0.000 1.143 203 M CB 0.412 32.862 32.600 -0.251 0.000 1.319 203 M HN -0.119 nan 8.290 nan 0.000 0.490 204 S N 1.557 117.215 115.700 -0.070 0.000 2.580 204 S HA 0.079 4.552 4.470 0.006 0.000 0.274 204 S C 0.275 174.857 174.600 -0.031 0.000 1.329 204 S CA -0.652 57.540 58.200 -0.014 0.000 1.036 204 S CB 1.020 64.234 63.200 0.025 0.000 0.919 204 S HN 0.332 nan 8.310 nan 0.000 0.515 205 D N 0.649 121.040 120.400 -0.015 0.000 2.201 205 D HA 0.074 4.717 4.640 0.006 0.000 0.209 205 D C 0.061 176.332 176.300 -0.049 0.000 0.961 205 D CA 1.058 55.021 54.000 -0.061 0.000 0.861 205 D CB 0.354 41.110 40.800 -0.073 0.000 0.997 205 D HN 0.234 nan 8.370 nan 0.000 0.486 206 V N 1.801 121.710 119.914 -0.008 0.000 2.487 206 V HA 0.315 4.438 4.120 0.006 0.000 0.298 206 V C -0.110 175.996 176.094 0.019 0.000 1.028 206 V CA -0.727 61.571 62.300 -0.002 0.000 0.860 206 V CB 2.575 34.405 31.823 0.013 0.000 0.991 206 V HN -0.230 nan 8.190 nan 0.000 0.427 207 V N 3.495 123.408 119.914 -0.001 0.000 2.417 207 V HA 0.619 4.742 4.120 0.006 0.000 0.291 207 V C 0.019 176.105 176.094 -0.013 0.000 1.024 207 V CA -0.174 62.131 62.300 0.008 0.000 0.861 207 V CB 1.906 33.722 31.823 -0.011 0.000 0.985 207 V HN 0.876 nan 8.190 nan 0.000 0.436 208 S N 5.338 121.035 115.700 -0.005 0.000 2.532 208 S HA 0.780 5.253 4.470 0.006 0.000 0.299 208 S C -0.967 173.505 174.600 -0.214 0.000 1.105 208 S CA -0.529 57.611 58.200 -0.100 0.000 1.018 208 S CB 0.976 64.171 63.200 -0.007 0.000 1.021 208 S HN 0.524 nan 8.310 nan 0.000 0.483 209 L N 5.253 126.260 121.223 -0.360 0.000 2.307 209 L HA 0.581 4.925 4.340 0.006 0.000 0.282 209 L C 0.037 176.539 176.870 -0.613 0.000 1.051 209 L CA -0.415 54.238 54.840 -0.312 0.000 0.804 209 L CB 1.027 42.992 42.059 -0.158 0.000 1.197 209 L HN 0.714 nan 8.230 nan 0.000 0.431 210 H N 2.752 121.850 119.070 0.046 0.000 3.038 210 H HA 0.263 4.822 4.556 0.006 0.000 0.223 210 H C -0.799 174.560 175.328 0.050 0.000 1.400 210 H CA -0.218 55.851 56.048 0.035 0.000 1.153 210 H CB 0.710 30.484 29.762 0.020 0.000 2.234 210 H HN 0.357 nan 8.280 nan 0.000 0.541 211 V N -1.106 118.875 119.914 0.113 0.000 2.850 211 V HA 0.721 4.845 4.120 0.006 0.000 0.315 211 V C -2.436 173.711 176.094 0.088 0.000 1.064 211 V CA -2.356 60.006 62.300 0.103 0.000 0.979 211 V CB 2.001 33.878 31.823 0.090 0.000 1.039 211 V HN -0.039 nan 8.190 nan 0.000 0.452 212 P HA 0.318 nan 4.420 nan 0.000 0.274 212 P C -0.788 176.550 177.300 0.063 0.000 1.237 212 P CA -0.316 62.832 63.100 0.081 0.000 0.793 212 P CB 0.465 32.216 31.700 0.086 0.000 0.977 213 E N 1.807 122.041 120.200 0.056 0.000 2.259 213 E HA 0.332 4.686 4.350 0.006 0.000 0.281 213 E C -0.697 175.930 176.600 0.045 0.000 1.027 213 E CA -0.365 56.064 56.400 0.048 0.000 0.838 213 E CB 0.117 29.846 29.700 0.047 0.000 1.066 213 E HN 0.555 nan 8.360 nan 0.000 0.401 214 N N 2.457 121.183 118.700 0.042 0.000 4.104 214 N HA 0.086 4.829 4.740 0.006 0.000 0.214 214 N C -2.683 172.849 175.510 0.037 0.000 1.270 214 N CA -1.004 52.069 53.050 0.039 0.000 0.894 214 N CB 0.759 39.270 38.487 0.040 0.000 1.495 214 N HN 0.094 nan 8.380 nan 0.000 0.506 215 P HA -0.211 nan 4.420 nan 0.000 0.223 215 P C 0.724 178.045 177.300 0.034 0.000 1.140 215 P CA 1.321 64.439 63.100 0.031 0.000 0.783 215 P CB 0.244 31.961 31.700 0.027 0.000 0.759 216 S N -0.482 115.242 115.700 0.039 0.000 2.425 216 S HA -0.047 4.426 4.470 0.006 0.000 0.225 216 S C 1.761 176.391 174.600 0.050 0.000 1.024 216 S CA 1.600 59.827 58.200 0.045 0.000 0.951 216 S CB -0.755 62.474 63.200 0.049 0.000 0.796 216 S HN 0.354 nan 8.310 nan 0.000 0.498 217 T N -1.283 113.300 114.554 0.048 0.000 3.060 217 T HA 0.272 4.626 4.350 0.006 0.000 0.249 217 T C 0.554 175.277 174.700 0.037 0.000 1.079 217 T CA -0.206 61.924 62.100 0.049 0.000 1.013 217 T CB -0.186 68.713 68.868 0.051 0.000 0.975 217 T HN 0.174 nan 8.240 nan 0.000 0.518 218 K N 3.211 123.631 120.400 0.035 0.000 2.430 218 K HA 0.043 4.367 4.320 0.006 0.000 0.280 218 K C 0.365 176.981 176.600 0.026 0.000 1.063 218 K CA 0.343 56.648 56.287 0.030 0.000 1.071 218 K CB -1.296 31.221 32.500 0.030 0.000 0.899 218 K HN 0.362 nan 8.250 nan 0.000 0.473 219 N N 3.669 122.383 118.700 0.022 0.000 2.725 219 N HA -0.266 4.478 4.740 0.006 0.000 0.249 219 N C 0.525 176.045 175.510 0.017 0.000 1.103 219 N CA 0.793 53.854 53.050 0.018 0.000 0.707 219 N CB -0.477 38.022 38.487 0.019 0.000 1.043 219 N HN 0.704 nan 8.380 nan 0.000 0.553 220 M N -0.236 119.376 119.600 0.020 0.000 2.073 220 M HA -0.135 4.349 4.480 0.006 0.000 0.258 220 M C 0.846 177.153 176.300 0.011 0.000 1.070 220 M CA 1.690 57.004 55.300 0.023 0.000 1.103 220 M CB -0.015 32.605 32.600 0.034 0.000 1.321 220 M HN 0.175 nan 8.290 nan 0.000 0.405 221 M N 1.472 121.074 119.600 0.004 0.000 3.011 221 M HA 0.149 4.632 4.480 0.006 0.000 0.292 221 M C 0.456 176.755 176.300 -0.002 0.000 1.440 221 M CA -0.001 55.297 55.300 -0.004 0.000 1.552 221 M CB -1.342 31.250 32.600 -0.013 0.000 1.187 221 M HN 0.103 nan 8.290 nan 0.000 0.520 222 G N 1.118 109.918 108.800 -0.001 0.000 2.563 222 G HA2 0.475 4.438 3.960 0.006 0.000 0.283 222 G HA3 0.475 4.438 3.960 0.006 0.000 0.283 222 G C 0.853 175.752 174.900 -0.002 0.000 1.309 222 G CA 0.020 45.120 45.100 0.000 0.000 1.022 222 G HN 0.659 nan 8.290 nan 0.000 0.501 223 A N -0.748 122.071 122.820 -0.002 0.000 2.019 223 A HA -0.044 4.279 4.320 0.006 0.000 0.219 223 A C 2.154 179.728 177.584 -0.016 0.000 1.164 223 A CA 2.144 54.178 52.037 -0.006 0.000 0.644 223 A CB -0.369 18.627 19.000 -0.008 0.000 0.805 223 A HN 0.635 nan 8.150 nan 0.000 0.449 224 K N -0.478 119.911 120.400 -0.019 0.000 2.031 224 K HA -0.148 4.176 4.320 0.006 0.000 0.205 224 K C 1.864 178.448 176.600 -0.026 0.000 1.049 224 K CA 1.500 57.770 56.287 -0.029 0.000 0.939 224 K CB -0.119 32.364 32.500 -0.029 0.000 0.717 224 K HN 0.316 nan 8.250 nan 0.000 0.438 225 E N 0.975 121.163 120.200 -0.020 0.000 2.058 225 E HA -0.169 4.185 4.350 0.006 0.000 0.194 225 E C 1.845 178.447 176.600 0.003 0.000 0.997 225 E CA 1.143 57.531 56.400 -0.021 0.000 0.801 225 E CB -0.151 29.535 29.700 -0.024 0.000 0.746 225 E HN 0.288 nan 8.360 nan 0.000 0.450 226 I N 0.837 121.416 120.570 0.016 0.000 2.248 226 I HA -0.281 3.893 4.170 0.006 0.000 0.248 226 I C 1.997 178.201 176.117 0.144 0.000 1.107 226 I CA 1.344 62.680 61.300 0.061 0.000 1.373 226 I CB -1.287 36.746 38.000 0.055 0.000 1.055 226 I HN 0.018 nan 8.210 nan 0.000 0.418 227 S N 1.056 116.779 115.700 0.037 0.000 2.345 227 S HA -0.111 4.362 4.470 0.006 0.000 0.220 227 S C 1.923 176.551 174.600 0.048 0.000 1.031 227 S CA 0.865 59.030 58.200 -0.058 0.000 0.996 227 S CB -0.444 62.683 63.200 -0.122 0.000 0.882 227 S HN 0.244 nan 8.310 nan 0.000 0.445 228 L N 1.091 122.325 121.223 0.017 0.000 2.450 228 L HA 0.032 4.376 4.340 0.006 0.000 0.225 228 L C 0.968 177.859 176.870 0.036 0.000 1.145 228 L CA 1.088 55.930 54.840 0.004 0.000 0.801 228 L CB -1.158 40.879 42.059 -0.036 0.000 0.924 228 L HN 0.344 nan 8.230 nan 0.000 0.447 229 M N 0.069 119.728 119.600 0.098 0.000 2.238 229 M HA 0.038 4.521 4.480 0.006 0.000 0.347 229 M C 0.761 177.084 176.300 0.038 0.000 1.173 229 M CA 0.232 55.556 55.300 0.041 0.000 1.147 229 M CB 0.494 33.090 32.600 -0.006 0.000 1.547 229 M HN -0.035 nan 8.290 nan 0.000 0.455 230 K N 5.360 125.735 120.400 -0.042 0.000 2.484 230 K HA 0.117 4.441 4.320 0.006 0.000 0.280 230 K C -2.336 174.179 176.600 -0.141 0.000 1.013 230 K CA -1.098 55.159 56.287 -0.050 0.000 1.029 230 K CB 0.325 32.781 32.500 -0.074 0.000 0.902 230 K HN 0.253 nan 8.250 nan 0.000 0.481 231 P HA 0.030 nan 4.420 nan 0.000 0.271 231 P C 0.366 177.575 177.300 -0.151 0.000 1.216 231 P CA 0.616 63.626 63.100 -0.150 0.000 0.776 231 P CB 0.825 32.588 31.700 0.105 0.000 0.881 232 G N 1.449 110.137 108.800 -0.187 0.000 2.176 232 G HA2 -0.252 3.712 3.960 0.006 0.000 0.253 232 G HA3 -0.252 3.712 3.960 0.006 0.000 0.253 232 G C 0.451 175.273 174.900 -0.129 0.000 0.979 232 G CA 0.394 45.429 45.100 -0.108 0.000 0.641 232 G HN 0.863 nan 8.290 nan 0.000 0.530 233 S N -0.402 115.187 115.700 -0.184 0.000 2.633 233 S HA 0.767 5.240 4.470 0.006 0.000 0.257 233 S C 0.287 174.812 174.600 -0.124 0.000 1.265 233 S CA -0.176 57.934 58.200 -0.150 0.000 0.980 233 S CB 1.242 64.351 63.200 -0.152 0.000 1.017 233 S HN 0.847 nan 8.310 nan 0.000 0.577 234 L N 0.121 121.288 121.223 -0.092 0.000 2.388 234 L HA 0.655 4.998 4.340 0.006 0.000 0.264 234 L C -1.215 175.616 176.870 -0.066 0.000 0.998 234 L CA -1.000 53.798 54.840 -0.071 0.000 0.817 234 L CB 1.825 43.858 42.059 -0.042 0.000 1.338 234 L HN 0.561 nan 8.230 nan 0.000 0.414 235 L N 3.375 124.558 121.223 -0.067 0.000 2.362 235 L HA 0.698 5.042 4.340 0.006 0.000 0.275 235 L C -1.061 175.771 176.870 -0.063 0.000 0.998 235 L CA -0.379 54.422 54.840 -0.064 0.000 0.820 235 L CB 1.826 43.843 42.059 -0.071 0.000 1.270 235 L HN 0.507 nan 8.230 nan 0.000 0.415 236 I N 4.278 124.807 120.570 -0.068 0.000 2.478 236 I HA 0.492 4.666 4.170 0.006 0.000 0.287 236 I C -1.568 174.475 176.117 -0.124 0.000 1.042 236 I CA -0.104 61.150 61.300 -0.077 0.000 1.067 236 I CB 1.615 39.589 38.000 -0.043 0.000 1.233 236 I HN 0.728 nan 8.210 nan 0.000 0.431 237 N N 5.870 124.487 118.700 -0.139 0.000 2.531 237 N HA 0.654 5.397 4.740 0.006 0.000 0.268 237 N C -0.854 174.547 175.510 -0.181 0.000 1.023 237 N CA -0.342 52.603 53.050 -0.175 0.000 0.896 237 N CB 1.576 39.962 38.487 -0.167 0.000 1.233 237 N HN 0.818 nan 8.380 nan 0.000 0.512 238 A N 2.634 125.364 122.820 -0.151 0.000 2.855 238 A HA 0.262 4.586 4.320 0.006 0.000 0.301 238 A C 0.627 178.177 177.584 -0.058 0.000 1.076 238 A CA -0.333 51.643 52.037 -0.102 0.000 1.004 238 A CB -0.199 18.797 19.000 -0.006 0.000 1.152 238 A HN 0.659 nan 8.150 nan 0.000 0.531 239 S N -0.358 115.286 115.700 -0.093 0.000 3.064 239 S HA 0.555 5.029 4.470 0.006 0.000 0.170 239 S C 0.426 174.990 174.600 -0.059 0.000 0.713 239 S CA -0.250 57.934 58.200 -0.028 0.000 0.891 239 S CB 0.333 63.523 63.200 -0.015 0.000 0.772 239 S HN 0.263 nan 8.310 nan 0.000 0.701 240 R N 0.571 121.041 120.500 -0.050 0.000 2.686 240 R HA 0.560 4.903 4.340 0.006 0.000 0.286 240 R C 1.024 177.296 176.300 -0.046 0.000 0.969 240 R CA -0.238 55.843 56.100 -0.032 0.000 0.898 240 R CB 1.082 31.394 30.300 0.021 0.000 1.183 240 R HN 0.648 nan 8.270 nan 0.000 0.456 241 G N 0.239 109.022 108.800 -0.027 0.000 2.527 241 G HA2 -0.255 3.708 3.960 0.006 0.000 0.219 241 G HA3 -0.255 3.708 3.960 0.006 0.000 0.219 241 G C 0.989 175.899 174.900 0.018 0.000 1.117 241 G CA 1.529 46.623 45.100 -0.009 0.000 0.759 241 G HN 0.653 nan 8.290 nan 0.000 0.556 242 T N -2.395 112.172 114.554 0.022 0.000 3.065 242 T HA 0.121 4.474 4.350 0.006 0.000 0.252 242 T C 2.141 176.850 174.700 0.016 0.000 1.099 242 T CA 0.688 62.805 62.100 0.028 0.000 1.063 242 T CB 0.273 69.162 68.868 0.036 0.000 0.948 242 T HN -0.003 nan 8.240 nan 0.000 0.506 243 V N 1.258 121.173 119.914 0.001 0.000 2.626 243 V HA 0.072 4.196 4.120 0.006 0.000 0.252 243 V C 1.195 177.285 176.094 -0.007 0.000 1.067 243 V CA 0.617 62.916 62.300 -0.002 0.000 1.081 243 V CB -0.457 31.359 31.823 -0.012 0.000 0.686 243 V HN 0.415 nan 8.190 nan 0.000 0.468 244 V N 0.578 120.483 119.914 -0.016 0.000 2.513 244 V HA 0.355 4.478 4.120 0.006 0.000 0.299 244 V C -0.572 175.524 176.094 0.004 0.000 1.035 244 V CA -0.788 61.503 62.300 -0.015 0.000 0.889 244 V CB 1.826 33.626 31.823 -0.038 0.000 0.988 244 V HN 0.292 nan 8.190 nan 0.000 0.440 245 D N 3.520 123.925 120.400 0.009 0.000 2.374 245 D HA 0.253 4.896 4.640 0.006 0.000 0.240 245 D C 1.032 177.348 176.300 0.026 0.000 1.229 245 D CA 0.115 54.127 54.000 0.020 0.000 0.895 245 D CB 0.604 41.414 40.800 0.016 0.000 1.046 245 D HN 0.455 nan 8.370 nan 0.000 0.498 246 I N 5.359 125.954 120.570 0.043 0.000 2.226 246 I HA -0.144 4.029 4.170 0.006 0.000 0.245 246 I C -0.525 175.632 176.117 0.066 0.000 1.100 246 I CA 0.618 61.955 61.300 0.062 0.000 1.374 246 I CB -0.891 37.171 38.000 0.102 0.000 1.057 246 I HN 0.457 nan 8.210 nan 0.000 0.413 247 P HA -0.161 nan 4.420 nan 0.000 0.218 247 P C 1.391 178.721 177.300 0.050 0.000 1.149 247 P CA 1.824 64.960 63.100 0.060 0.000 0.817 247 P CB 0.050 31.777 31.700 0.046 0.000 0.785 248 A N 0.136 122.976 122.820 0.034 0.000 1.873 248 A HA -0.150 4.174 4.320 0.006 0.000 0.215 248 A C 2.262 179.856 177.584 0.017 0.000 1.186 248 A CA 1.329 53.380 52.037 0.022 0.000 0.616 248 A CB -1.655 17.354 19.000 0.014 0.000 0.823 248 A HN 0.139 nan 8.150 nan 0.000 0.442 249 L N 0.150 121.380 121.223 0.011 0.000 2.013 249 L HA -0.232 4.111 4.340 0.006 0.000 0.212 249 L C 2.532 179.370 176.870 -0.053 0.000 1.073 249 L CA 2.353 57.181 54.840 -0.020 0.000 0.753 249 L CB -0.907 41.144 42.059 -0.015 0.000 0.890 249 L HN 0.507 nan 8.230 nan 0.000 0.432 250 C N -0.500 118.810 119.300 0.016 0.000 2.413 250 C HA -0.150 4.314 4.460 0.006 0.000 0.277 250 C C 2.332 177.367 174.990 0.076 0.000 1.265 250 C CA 0.767 59.832 59.018 0.078 0.000 1.752 250 C CB -1.242 26.659 27.740 0.268 0.000 1.998 250 C HN 0.584 nan 8.230 nan 0.000 0.489 251 D N 0.899 121.338 120.400 0.065 0.000 2.117 251 D HA -0.058 4.585 4.640 0.006 0.000 0.197 251 D C 2.314 178.633 176.300 0.032 0.000 0.987 251 D CA 1.658 55.695 54.000 0.062 0.000 0.829 251 D CB -0.477 40.348 40.800 0.042 0.000 0.961 251 D HN 0.469 nan 8.370 nan 0.000 0.460 252 A N 0.357 123.180 122.820 0.006 0.000 1.908 252 A HA -0.142 4.182 4.320 0.006 0.000 0.218 252 A C 2.333 179.897 177.584 -0.034 0.000 1.181 252 A CA 1.021 53.073 52.037 0.026 0.000 0.627 252 A CB -0.785 18.242 19.000 0.046 0.000 0.818 252 A HN 0.225 nan 8.150 nan 0.000 0.445 253 L N -0.923 120.191 121.223 -0.182 0.000 2.017 253 L HA -0.179 4.165 4.340 0.006 0.000 0.208 253 L C 3.073 179.867 176.870 -0.126 0.000 1.073 253 L CA 1.136 55.776 54.840 -0.334 0.000 0.745 253 L CB -0.522 40.953 42.059 -0.974 0.000 0.894 253 L HN 0.429 nan 8.230 nan 0.000 0.432 254 A N -0.217 122.623 122.820 0.034 0.000 2.015 254 A HA -0.158 4.165 4.320 0.006 0.000 0.219 254 A C 2.362 180.012 177.584 0.110 0.000 1.163 254 A CA 1.668 53.829 52.037 0.207 0.000 0.646 254 A CB -0.503 18.660 19.000 0.271 0.000 0.806 254 A HN 0.518 nan 8.150 nan 0.000 0.448 255 S N -2.292 113.451 115.700 0.071 0.000 2.593 255 S HA 0.183 4.657 4.470 0.006 0.000 0.217 255 S C 0.808 175.449 174.600 0.069 0.000 0.966 255 S CA 0.773 59.011 58.200 0.064 0.000 0.914 255 S CB 0.085 63.316 63.200 0.052 0.000 0.776 255 S HN 0.376 nan 8.310 nan 0.000 0.523 256 K N -0.217 120.216 120.400 0.056 0.000 3.529 256 K HA -0.236 4.087 4.320 0.006 0.000 0.313 256 K C 0.604 177.237 176.600 0.056 0.000 1.316 256 K CA 1.238 57.552 56.287 0.044 0.000 0.988 256 K CB -2.581 29.949 32.500 0.050 0.000 1.252 256 K HN 0.696 nan 8.250 nan 0.000 0.438 257 H N -0.069 118.988 119.070 -0.023 0.000 2.457 257 H HA 0.097 4.656 4.556 0.006 0.000 0.297 257 H C 0.212 175.519 175.328 -0.036 0.000 1.092 257 H CA 1.802 57.834 56.048 -0.027 0.000 1.309 257 H CB 0.251 29.995 29.762 -0.030 0.000 1.382 257 H HN 0.236 nan 8.280 nan 0.000 0.535 258 L N -0.450 120.689 121.223 -0.141 0.000 2.346 258 L HA 0.435 4.779 4.340 0.006 0.000 0.274 258 L C 1.070 177.871 176.870 -0.114 0.000 1.007 258 L CA -0.278 54.446 54.840 -0.193 0.000 0.818 258 L CB 1.973 43.930 42.059 -0.170 0.000 1.284 258 L HN 0.098 nan 8.230 nan 0.000 0.424 259 A N 2.232 124.995 122.820 -0.094 0.000 1.970 259 A HA 0.490 4.813 4.320 0.006 0.000 0.216 259 A C 0.852 178.410 177.584 -0.042 0.000 1.170 259 A CA 1.087 53.098 52.037 -0.043 0.000 0.645 259 A CB -0.008 18.985 19.000 -0.012 0.000 0.816 259 A HN 0.861 nan 8.150 nan 0.000 0.447 260 G N -3.319 105.442 108.800 -0.065 0.000 2.441 260 G HA2 0.665 4.628 3.960 0.006 0.000 0.294 260 G HA3 0.665 4.628 3.960 0.006 0.000 0.294 260 G C -1.214 173.645 174.900 -0.068 0.000 1.393 260 G CA 0.126 45.192 45.100 -0.057 0.000 0.796 260 G HN 1.322 nan 8.290 nan 0.000 0.494 261 A N -1.582 121.208 122.820 -0.051 0.000 2.586 261 A HA 1.039 5.363 4.320 0.006 0.000 0.290 261 A C -0.943 176.627 177.584 -0.022 0.000 1.086 261 A CA 0.185 52.192 52.037 -0.050 0.000 0.665 261 A CB 1.224 20.180 19.000 -0.073 0.000 1.279 261 A HN 2.539 nan 8.150 nan 0.000 0.423 262 A N 1.087 123.888 122.820 -0.032 0.000 2.414 262 A HA 0.654 4.978 4.320 0.006 0.000 0.286 262 A C -1.208 176.336 177.584 -0.066 0.000 1.073 262 A CA -0.259 51.764 52.037 -0.023 0.000 0.727 262 A CB 0.547 19.538 19.000 -0.016 0.000 1.215 262 A HN 0.732 nan 8.150 nan 0.000 0.430 263 I N 2.387 122.910 120.570 -0.079 0.000 2.406 263 I HA 0.349 4.522 4.170 0.006 0.000 0.290 263 I C 0.357 176.298 176.117 -0.292 0.000 0.999 263 I CA -0.118 61.038 61.300 -0.240 0.000 1.124 263 I CB 1.727 39.538 38.000 -0.315 0.000 1.289 263 I HN 0.900 nan 8.210 nan 0.000 0.441 264 D N 4.245 124.422 120.400 -0.371 0.000 2.469 264 D HA 0.071 4.715 4.640 0.006 0.000 0.240 264 D C -0.033 176.039 176.300 -0.381 0.000 1.087 264 D CA 0.486 54.335 54.000 -0.251 0.000 0.876 264 D CB 0.942 41.650 40.800 -0.154 0.000 1.160 264 D HN 0.272 nan 8.370 nan 0.000 0.497 265 V N -0.279 119.288 119.914 -0.579 0.000 2.448 265 V HA 0.668 4.792 4.120 0.006 0.000 0.295 265 V C -0.689 175.063 176.094 -0.570 0.000 1.025 265 V CA -0.921 61.102 62.300 -0.463 0.000 0.859 265 V CB 0.835 32.421 31.823 -0.395 0.000 0.988 265 V HN -0.114 nan 8.190 nan 0.000 0.431 266 F N 3.448 123.408 119.950 0.017 0.000 2.557 266 F HA 0.674 5.204 4.527 0.006 0.000 0.336 266 F C -1.500 174.346 175.800 0.077 0.000 1.058 266 F CA -2.327 55.720 58.000 0.078 0.000 0.988 266 F CB 1.304 40.403 39.000 0.165 0.000 1.275 266 F HN 0.296 nan 8.300 nan 0.000 0.488 267 P HA -0.048 nan 4.420 nan 0.000 0.213 267 P C -0.223 177.181 177.300 0.173 0.000 1.170 267 P CA 1.539 64.737 63.100 0.164 0.000 0.893 267 P CB -0.052 31.730 31.700 0.136 0.000 0.784 268 T N -1.424 113.247 114.554 0.195 0.000 2.771 268 T HA 0.517 4.870 4.350 0.006 0.000 0.281 268 T C -0.441 174.378 174.700 0.198 0.000 0.982 268 T CA -0.807 61.387 62.100 0.156 0.000 0.978 268 T CB 1.817 70.749 68.868 0.105 0.000 0.930 268 T HN -0.045 nan 8.240 nan 0.000 0.447 269 E N 2.319 122.625 120.200 0.177 0.000 2.256 269 E HA 0.457 4.811 4.350 0.006 0.000 0.267 269 E C -2.517 174.153 176.600 0.117 0.000 0.892 269 E CA -2.299 54.205 56.400 0.174 0.000 0.775 269 E CB 1.271 31.102 29.700 0.219 0.000 1.207 269 E HN 0.470 nan 8.360 nan 0.000 0.420 270 P HA -0.005 nan 4.420 nan 0.000 0.265 270 P C -0.033 177.299 177.300 0.055 0.000 1.193 270 P CA 0.174 63.317 63.100 0.071 0.000 0.765 270 P CB 0.766 32.502 31.700 0.060 0.000 0.823 271 A N 2.192 125.040 122.820 0.047 0.000 1.933 271 A HA -0.002 4.322 4.320 0.006 0.000 0.218 271 A C 1.173 178.774 177.584 0.028 0.000 1.175 271 A CA 2.055 54.117 52.037 0.042 0.000 0.628 271 A CB -0.467 18.555 19.000 0.038 0.000 0.814 271 A HN 0.615 nan 8.150 nan 0.000 0.444 272 T N -3.809 110.758 114.554 0.022 0.000 2.762 272 T HA 0.260 4.613 4.350 0.006 0.000 0.301 272 T C 0.179 174.885 174.700 0.011 0.000 1.299 272 T CA -0.069 62.038 62.100 0.011 0.000 1.005 272 T CB 0.413 69.286 68.868 0.008 0.000 1.377 272 T HN 0.278 nan 8.240 nan 0.000 0.504 273 N N 0.184 118.887 118.700 0.004 0.000 2.453 273 N HA -0.068 4.675 4.740 0.006 0.000 0.183 273 N C 1.509 177.025 175.510 0.010 0.000 1.041 273 N CA 1.073 54.125 53.050 0.004 0.000 0.900 273 N CB 0.035 38.522 38.487 -0.000 0.000 0.961 273 N HN 0.599 nan 8.380 nan 0.000 0.443 274 S N -0.483 115.223 115.700 0.010 0.000 2.603 274 S HA 0.060 4.533 4.470 0.006 0.000 0.220 274 S C 0.049 174.660 174.600 0.017 0.000 0.967 274 S CA 0.034 58.241 58.200 0.012 0.000 0.920 274 S CB 0.198 63.403 63.200 0.008 0.000 0.773 274 S HN 0.083 nan 8.310 nan 0.000 0.529 275 D N 3.218 123.632 120.400 0.023 0.000 2.264 275 D HA 0.482 5.126 4.640 0.006 0.000 0.249 275 D C -2.591 173.736 176.300 0.045 0.000 1.070 275 D CA -1.376 52.642 54.000 0.030 0.000 0.912 275 D CB 0.532 41.352 40.800 0.034 0.000 1.193 275 D HN 0.114 nan 8.370 nan 0.000 0.427 276 P HA 0.195 nan 4.420 nan 0.000 0.276 276 P C -0.988 176.358 177.300 0.077 0.000 1.230 276 P CA -0.427 62.698 63.100 0.042 0.000 0.776 276 P CB 0.318 32.020 31.700 0.004 0.000 0.888 277 F N 3.174 123.082 119.950 -0.070 0.000 2.436 277 F HA 0.578 5.109 4.527 0.006 0.000 0.340 277 F C -0.641 175.096 175.800 -0.105 0.000 1.113 277 F CA -0.084 57.848 58.000 -0.115 0.000 1.022 277 F CB 1.038 39.946 39.000 -0.153 0.000 1.128 277 F HN 0.183 nan 8.300 nan 0.000 0.466 278 T N 3.956 117.982 114.554 -0.881 0.000 2.912 278 T HA 0.665 5.018 4.350 0.006 0.000 0.299 278 T C -1.185 173.004 174.700 -0.851 0.000 1.052 278 T CA -0.924 60.730 62.100 -0.743 0.000 0.996 278 T CB 1.602 70.275 68.868 -0.325 0.000 1.070 278 T HN 0.676 nan 8.240 nan 0.000 0.465 279 S N 0.956 116.289 115.700 -0.611 0.000 2.586 279 S HA 0.458 4.931 4.470 0.006 0.000 0.277 279 S C -2.419 172.098 174.600 -0.139 0.000 1.131 279 S CA -0.863 57.149 58.200 -0.313 0.000 0.848 279 S CB 1.230 64.265 63.200 -0.276 0.000 1.091 279 S HN 0.409 nan 8.310 nan 0.000 0.453 280 P HA 0.179 nan 4.420 nan 0.000 0.222 280 P C 1.347 178.708 177.300 0.102 0.000 1.153 280 P CA 0.491 63.606 63.100 0.025 0.000 0.798 280 P CB 0.042 31.792 31.700 0.083 0.000 0.796 281 L N -1.255 120.107 121.223 0.232 0.000 2.261 281 L HA -0.209 4.134 4.340 0.006 0.000 0.216 281 L C 2.119 179.161 176.870 0.287 0.000 1.114 281 L CA 0.974 56.057 54.840 0.404 0.000 0.777 281 L CB -1.219 41.065 42.059 0.375 0.000 0.910 281 L HN 0.082 nan 8.230 nan 0.000 0.440 282 C N -0.138 119.238 119.300 0.127 0.000 2.410 282 C HA -0.192 4.271 4.460 0.006 0.000 0.281 282 C C 2.707 177.697 174.990 -0.000 0.000 1.318 282 C CA 1.058 60.122 59.018 0.077 0.000 1.776 282 C CB -0.842 26.891 27.740 -0.011 0.000 1.942 282 C HN 0.558 nan 8.230 nan 0.000 0.508 283 E N -0.488 119.630 120.200 -0.138 0.000 2.208 283 E HA -0.081 4.272 4.350 0.006 0.000 0.193 283 E C -0.271 176.142 176.600 -0.311 0.000 0.988 283 E CA 0.470 56.693 56.400 -0.295 0.000 0.828 283 E CB 0.060 29.469 29.700 -0.486 0.000 0.763 283 E HN 0.604 nan 8.360 nan 0.000 0.478 284 F N 1.394 121.368 119.950 0.040 0.000 2.420 284 F HA 0.112 4.642 4.527 0.006 0.000 0.352 284 F C 1.146 176.971 175.800 0.042 0.000 1.108 284 F CA -0.514 57.510 58.000 0.040 0.000 1.162 284 F CB 0.979 40.005 39.000 0.044 0.000 1.118 284 F HN -0.120 nan 8.300 nan 0.000 0.510 285 D N 1.528 122.047 120.400 0.199 0.000 2.234 285 D HA -0.128 4.515 4.640 0.006 0.000 0.205 285 D C 1.305 177.678 176.300 0.121 0.000 0.962 285 D CA 1.117 55.193 54.000 0.126 0.000 0.855 285 D CB -0.185 40.667 40.800 0.087 0.000 0.951 285 D HN 0.644 nan 8.370 nan 0.000 0.500 286 N N 0.154 118.938 118.700 0.140 0.000 2.485 286 N HA 0.026 4.769 4.740 0.006 0.000 0.199 286 N C -0.576 174.976 175.510 0.069 0.000 1.236 286 N CA 0.040 53.141 53.050 0.085 0.000 0.852 286 N CB 0.424 38.949 38.487 0.063 0.000 1.018 286 N HN -0.175 nan 8.380 nan 0.000 0.457 287 V N 1.102 121.082 119.914 0.110 0.000 2.483 287 V HA 0.264 4.387 4.120 0.006 0.000 0.297 287 V C -0.214 175.944 176.094 0.105 0.000 1.027 287 V CA -0.822 61.536 62.300 0.097 0.000 0.855 287 V CB 1.835 33.744 31.823 0.143 0.000 0.995 287 V HN 0.243 nan 8.190 nan 0.000 0.424 288 L N 5.825 127.092 121.223 0.072 0.000 2.283 288 L HA 0.362 4.706 4.340 0.006 0.000 0.287 288 L C -0.805 176.123 176.870 0.097 0.000 1.073 288 L CA -0.359 54.522 54.840 0.070 0.000 0.822 288 L CB 0.853 42.935 42.059 0.039 0.000 1.186 288 L HN 0.370 nan 8.230 nan 0.000 0.436 289 L N 4.134 125.439 121.223 0.137 0.000 2.287 289 L HA 0.527 4.870 4.340 0.006 0.000 0.287 289 L C 0.282 177.227 176.870 0.125 0.000 1.022 289 L CA -0.123 54.847 54.840 0.217 0.000 0.814 289 L CB 1.582 43.807 42.059 0.277 0.000 1.217 289 L HN 0.557 nan 8.230 nan 0.000 0.420 290 T N 1.111 115.753 114.554 0.146 0.000 2.893 290 T HA 0.545 4.898 4.350 0.006 0.000 0.293 290 T C -2.676 172.085 174.700 0.101 0.000 1.027 290 T CA -1.916 60.225 62.100 0.068 0.000 0.988 290 T CB 2.025 70.920 68.868 0.046 0.000 1.043 290 T HN 0.388 nan 8.240 nan 0.000 0.461 291 P HA 0.091 nan 4.420 nan 0.000 0.235 291 P C 0.160 177.551 177.300 0.151 0.000 1.765 291 P CA 0.292 63.401 63.100 0.014 0.000 1.034 291 P CB -1.252 30.412 31.700 -0.059 0.000 1.984 292 H N 0.742 119.864 119.070 0.086 0.000 2.527 292 H HA -0.188 4.372 4.556 0.006 0.000 0.321 292 H C 0.261 175.610 175.328 0.034 0.000 1.092 292 H CA -0.215 55.871 56.048 0.064 0.000 1.118 292 H CB -1.023 28.784 29.762 0.074 0.000 1.536 292 H HN 0.430 nan 8.280 nan 0.000 0.407 293 I N -3.700 116.975 120.570 0.175 0.000 3.775 293 I HA 0.690 4.863 4.170 0.006 0.000 0.272 293 I C 1.690 177.869 176.117 0.102 0.000 1.292 293 I CA -0.423 60.949 61.300 0.119 0.000 1.050 293 I CB 1.303 39.343 38.000 0.066 0.000 1.422 293 I HN 0.261 nan 8.210 nan 0.000 0.561 294 G N -0.438 108.403 108.800 0.068 0.000 2.194 294 G HA2 -0.177 3.786 3.960 0.006 0.000 0.236 294 G HA3 -0.177 3.786 3.960 0.006 0.000 0.236 294 G C 0.701 175.635 174.900 0.058 0.000 0.987 294 G CA 0.254 45.386 45.100 0.053 0.000 0.635 294 G HN 1.303 nan 8.290 nan 0.000 0.520 295 G N -0.407 108.438 108.800 0.075 0.000 2.649 295 G HA2 0.384 4.348 3.960 0.006 0.000 0.199 295 G HA3 0.384 4.348 3.960 0.006 0.000 0.199 295 G C 0.617 175.542 174.900 0.041 0.000 1.085 295 G CA 1.149 46.286 45.100 0.062 0.000 0.804 295 G HN 0.989 nan 8.290 nan 0.000 0.671 296 S N 1.834 117.562 115.700 0.047 0.000 2.686 296 S HA 0.518 4.992 4.470 0.006 0.000 0.324 296 S C -0.372 174.241 174.600 0.022 0.000 1.172 296 S CA 0.191 58.410 58.200 0.032 0.000 1.127 296 S CB 0.520 63.742 63.200 0.037 0.000 1.338 296 S HN 0.144 nan 8.310 nan 0.000 0.547 297 T N 2.657 117.215 114.554 0.007 0.000 2.933 297 T HA 0.216 4.570 4.350 0.006 0.000 0.305 297 T C 0.768 175.451 174.700 -0.029 0.000 1.092 297 T CA -0.686 61.412 62.100 -0.004 0.000 1.008 297 T CB 1.641 70.506 68.868 -0.006 0.000 1.102 297 T HN 0.293 nan 8.240 nan 0.000 0.469 298 Q N 1.622 121.405 119.800 -0.029 0.000 2.077 298 Q HA -0.158 4.186 4.340 0.006 0.000 0.206 298 Q C 1.720 177.626 176.000 -0.157 0.000 0.989 298 Q CA 1.905 57.667 55.803 -0.069 0.000 0.853 298 Q CB -0.107 28.624 28.738 -0.012 0.000 0.907 298 Q HN 0.654 nan 8.270 nan 0.000 0.418 299 E N 0.828 120.971 120.200 -0.094 0.000 2.085 299 E HA -0.141 4.212 4.350 0.006 0.000 0.194 299 E C 1.849 178.387 176.600 -0.103 0.000 0.994 299 E CA 1.434 57.778 56.400 -0.095 0.000 0.801 299 E CB -0.408 29.263 29.700 -0.048 0.000 0.743 299 E HN 0.414 nan 8.360 nan 0.000 0.453 300 A N 0.587 123.362 122.820 -0.074 0.000 1.930 300 A HA -0.181 4.142 4.320 0.006 0.000 0.217 300 A C 2.042 179.585 177.584 -0.068 0.000 1.175 300 A CA 1.090 53.096 52.037 -0.051 0.000 0.627 300 A CB -0.268 18.720 19.000 -0.020 0.000 0.815 300 A HN 0.080 nan 8.150 nan 0.000 0.443 301 Q N -0.359 119.376 119.800 -0.109 0.000 2.079 301 Q HA -0.193 4.150 4.340 0.006 0.000 0.200 301 Q C 1.986 177.850 176.000 -0.226 0.000 0.974 301 Q CA 1.753 57.488 55.803 -0.114 0.000 0.840 301 Q CB -0.456 28.220 28.738 -0.104 0.000 0.898 301 Q HN 0.890 nan 8.270 nan 0.000 0.430 302 E N 1.047 120.933 120.200 -0.522 0.000 2.038 302 E HA -0.252 4.101 4.350 0.006 0.000 0.195 302 E C 1.718 178.253 176.600 -0.108 0.000 1.000 302 E CA 1.580 57.667 56.400 -0.521 0.000 0.803 302 E CB -0.084 29.357 29.700 -0.431 0.000 0.750 302 E HN 0.446 nan 8.360 nan 0.000 0.448 303 N N 0.230 118.879 118.700 -0.085 0.000 2.120 303 N HA -0.168 4.575 4.740 0.006 0.000 0.188 303 N C 1.889 177.400 175.510 0.002 0.000 1.024 303 N CA 1.732 54.766 53.050 -0.027 0.000 0.852 303 N CB -0.281 38.189 38.487 -0.028 0.000 1.003 303 N HN 0.245 nan 8.380 nan 0.000 0.424 304 I N 0.158 120.738 120.570 0.016 0.000 2.252 304 I HA -0.110 4.064 4.170 0.006 0.000 0.245 304 I C 2.571 178.776 176.117 0.147 0.000 1.102 304 I CA 1.253 62.583 61.300 0.050 0.000 1.385 304 I CB -0.957 37.093 38.000 0.083 0.000 1.064 304 I HN 0.411 nan 8.210 nan 0.000 0.414 305 G N 1.153 110.102 108.800 0.247 0.000 2.446 305 G HA2 -0.249 3.714 3.960 0.006 0.000 0.217 305 G HA3 -0.249 3.714 3.960 0.006 0.000 0.217 305 G C 1.615 176.677 174.900 0.270 0.000 1.168 305 G CA 0.561 45.906 45.100 0.409 0.000 0.771 305 G HN 0.174 nan 8.290 nan 0.000 0.551 306 L N 0.403 121.702 121.223 0.127 0.000 2.093 306 L HA 0.079 4.423 4.340 0.006 0.000 0.208 306 L C 2.616 179.484 176.870 -0.002 0.000 1.085 306 L CA 1.893 56.767 54.840 0.056 0.000 0.755 306 L CB -0.471 41.607 42.059 0.031 0.000 0.904 306 L HN 0.441 nan 8.230 nan 0.000 0.435 307 E N -0.890 119.292 120.200 -0.030 0.000 2.006 307 E HA -0.175 4.178 4.350 0.006 0.000 0.192 307 E C 2.140 178.630 176.600 -0.184 0.000 0.993 307 E CA 1.663 58.007 56.400 -0.092 0.000 0.808 307 E CB -0.028 29.621 29.700 -0.086 0.000 0.764 307 E HN 0.219 nan 8.360 nan 0.000 0.449 308 V N 1.535 121.263 119.914 -0.311 0.000 2.332 308 V HA -0.287 3.836 4.120 0.006 0.000 0.248 308 V C 2.477 178.317 176.094 -0.423 0.000 1.055 308 V CA 1.859 63.833 62.300 -0.545 0.000 1.038 308 V CB -0.900 30.223 31.823 -1.167 0.000 0.651 308 V HN 0.459 nan 8.190 nan 0.000 0.450 309 A N 0.693 123.401 122.820 -0.188 0.000 1.883 309 A HA -0.126 4.197 4.320 0.006 0.000 0.217 309 A C 2.462 179.965 177.584 -0.135 0.000 1.186 309 A CA 2.021 54.047 52.037 -0.017 0.000 0.624 309 A CB -1.349 17.713 19.000 0.103 0.000 0.822 309 A HN 0.536 nan 8.150 nan 0.000 0.444 310 G N -0.427 108.294 108.800 -0.130 0.000 2.450 310 G HA2 -0.253 3.710 3.960 0.006 0.000 0.220 310 G HA3 -0.253 3.710 3.960 0.006 0.000 0.220 310 G C 1.637 176.407 174.900 -0.216 0.000 1.130 310 G CA 1.145 46.163 45.100 -0.137 0.000 0.760 310 G HN 0.601 nan 8.290 nan 0.000 0.557 311 K N -0.650 119.549 120.400 -0.335 0.000 2.148 311 K HA 0.056 4.380 4.320 0.006 0.000 0.204 311 K C 2.307 178.496 176.600 -0.686 0.000 1.050 311 K CA 0.380 56.313 56.287 -0.590 0.000 0.942 311 K CB -0.134 31.876 32.500 -0.817 0.000 0.724 311 K HN 0.164 nan 8.250 nan 0.000 0.446 312 L N 0.724 121.672 121.223 -0.459 0.000 2.044 312 L HA -0.123 4.220 4.340 0.006 0.000 0.205 312 L C 2.083 178.770 176.870 -0.306 0.000 1.075 312 L CA 1.375 55.999 54.840 -0.359 0.000 0.747 312 L CB -0.598 41.289 42.059 -0.287 0.000 0.903 312 L HN 0.032 nan 8.230 nan 0.000 0.435 313 I N -0.208 120.219 120.570 -0.239 0.000 2.076 313 I HA -0.323 3.851 4.170 0.006 0.000 0.237 313 I C 2.385 178.489 176.117 -0.022 0.000 1.059 313 I CA 1.469 62.699 61.300 -0.117 0.000 1.317 313 I CB -0.560 37.426 38.000 -0.023 0.000 1.037 313 I HN 0.172 nan 8.210 nan 0.000 0.398 314 K N -0.859 119.514 120.400 -0.045 0.000 2.189 314 K HA -0.289 4.034 4.320 0.006 0.000 0.207 314 K C 2.218 178.864 176.600 0.077 0.000 1.046 314 K CA 2.087 58.376 56.287 0.004 0.000 0.928 314 K CB -0.485 31.991 32.500 -0.041 0.000 0.720 314 K HN 0.369 nan 8.250 nan 0.000 0.458 315 Y N 0.603 120.873 120.300 -0.049 0.000 2.243 315 Y HA -0.111 4.442 4.550 0.006 0.000 0.293 315 Y C 2.645 178.636 175.900 0.152 0.000 1.124 315 Y CA 1.294 59.442 58.100 0.080 0.000 1.159 315 Y CB -0.260 38.285 38.460 0.142 0.000 1.008 315 Y HN -0.042 nan 8.280 nan 0.000 0.527 316 S N -0.144 115.657 115.700 0.170 0.000 2.355 316 S HA -0.169 4.304 4.470 0.006 0.000 0.222 316 S C 1.570 176.261 174.600 0.152 0.000 1.031 316 S CA 1.901 60.220 58.200 0.198 0.000 0.993 316 S CB -0.430 62.865 63.200 0.159 0.000 0.859 316 S HN 0.585 nan 8.310 nan 0.000 0.453 317 D N 1.430 121.929 120.400 0.165 0.000 2.289 317 D HA 0.049 4.693 4.640 0.006 0.000 0.207 317 D C 0.621 177.051 176.300 0.218 0.000 0.966 317 D CA 0.690 54.807 54.000 0.195 0.000 0.868 317 D CB -0.139 40.760 40.800 0.165 0.000 0.943 317 D HN 0.756 nan 8.370 nan 0.000 0.514 318 N N -1.541 117.241 118.700 0.136 0.000 2.581 318 N HA 0.081 4.824 4.740 0.006 0.000 0.274 318 N C 0.782 176.331 175.510 0.065 0.000 1.629 318 N CA -0.066 53.074 53.050 0.150 0.000 0.884 318 N CB 0.105 38.721 38.487 0.214 0.000 1.423 318 N HN -0.039 nan 8.380 nan 0.000 0.507 319 G N 0.990 109.756 108.800 -0.057 0.000 2.453 319 G HA2 -0.353 3.610 3.960 0.006 0.000 0.313 319 G HA3 -0.353 3.610 3.960 0.006 0.000 0.313 319 G C 0.097 175.160 174.900 0.270 0.000 0.948 319 G CA 1.241 46.310 45.100 -0.051 0.000 0.846 319 G HN 0.598 nan 8.290 nan 0.000 0.512 320 S N -0.351 115.500 115.700 0.253 0.000 2.528 320 S HA 0.517 4.991 4.470 0.006 0.000 0.277 320 S C 1.197 176.055 174.600 0.430 0.000 1.297 320 S CA 0.604 58.975 58.200 0.286 0.000 1.052 320 S CB 0.594 63.893 63.200 0.165 0.000 0.917 320 S HN 0.988 nan 8.310 nan 0.000 0.492 321 T N 3.874 118.675 114.554 0.412 0.000 3.448 321 T HA 0.311 4.664 4.350 0.006 0.000 0.271 321 T C 1.387 176.272 174.700 0.309 0.000 1.002 321 T CA -0.465 61.882 62.100 0.412 0.000 0.995 321 T CB -0.312 68.727 68.868 0.284 0.000 1.153 321 T HN 0.533 nan 8.240 nan 0.000 0.510 322 L N 1.343 122.717 121.223 0.250 0.000 1.971 322 L HA -0.095 4.248 4.340 0.006 0.000 0.215 322 L C 2.560 179.525 176.870 0.159 0.000 1.072 322 L CA 1.957 56.901 54.840 0.173 0.000 0.758 322 L CB -0.452 41.682 42.059 0.124 0.000 0.889 322 L HN 0.571 nan 8.230 nan 0.000 0.433 323 S N -1.001 114.811 115.700 0.187 0.000 2.597 323 S HA 0.375 4.848 4.470 0.006 0.000 0.224 323 S C 0.689 175.374 174.600 0.143 0.000 0.955 323 S CA -0.214 58.072 58.200 0.143 0.000 0.933 323 S CB -0.156 63.105 63.200 0.102 0.000 0.788 323 S HN 0.264 nan 8.310 nan 0.000 0.488 324 A N 1.753 124.657 122.820 0.140 0.000 2.531 324 A HA 0.390 4.714 4.320 0.006 0.000 0.236 324 A C 1.288 178.825 177.584 -0.079 0.000 1.062 324 A CA 0.068 52.032 52.037 -0.122 0.000 0.760 324 A CB 0.089 18.932 19.000 -0.262 0.000 0.995 324 A HN 1.049 nan 8.150 nan 0.000 0.501 325 V N -0.120 119.714 119.914 -0.135 0.000 3.608 325 V HA 0.075 4.198 4.120 0.006 0.000 0.269 325 V C 0.919 176.972 176.094 -0.068 0.000 1.245 325 V CA 1.272 63.522 62.300 -0.084 0.000 1.138 325 V CB -0.771 30.997 31.823 -0.092 0.000 0.841 325 V HN 0.956 nan 8.190 nan 0.000 0.451 326 N N -1.749 116.908 118.700 -0.071 0.000 2.168 326 N HA 0.201 4.944 4.740 0.006 0.000 0.216 326 N C -0.199 175.343 175.510 0.055 0.000 1.259 326 N CA -0.182 52.855 53.050 -0.022 0.000 0.902 326 N CB 0.344 38.810 38.487 -0.035 0.000 1.079 326 N HN 0.451 nan 8.380 nan 0.000 0.507 327 F N 1.740 121.566 119.950 -0.207 0.000 2.497 327 F HA 0.647 5.177 4.527 0.005 0.000 0.331 327 F C -2.041 173.687 175.800 -0.121 0.000 1.060 327 F CA -2.164 55.715 58.000 -0.201 0.000 0.989 327 F CB 1.368 40.183 39.000 -0.309 0.000 1.245 327 F HN -0.242 nan 8.300 nan 0.000 0.486 328 P HA 0.138 nan 4.420 nan 0.000 0.275 328 P C -1.504 175.852 177.300 0.094 0.000 1.227 328 P CA -0.196 62.880 63.100 -0.040 0.000 0.781 328 P CB 0.429 32.072 31.700 -0.095 0.000 0.906 329 E N 1.412 121.652 120.200 0.066 0.000 2.001 329 E HA 0.315 4.668 4.350 0.006 0.000 0.279 329 E C -0.371 176.233 176.600 0.007 0.000 1.045 329 E CA -0.584 55.870 56.400 0.091 0.000 0.833 329 E CB 0.672 30.425 29.700 0.088 0.000 1.077 329 E HN 0.198 nan 8.360 nan 0.000 0.397 330 V N 0.605 120.544 119.914 0.042 0.000 2.789 330 V HA 0.807 4.931 4.120 0.006 0.000 0.311 330 V C -0.861 175.261 176.094 0.046 0.000 1.073 330 V CA -0.407 61.757 62.300 -0.227 0.000 0.921 330 V CB 2.222 33.724 31.823 -0.536 0.000 1.009 330 V HN 0.450 nan 8.190 nan 0.000 0.426 331 S N 4.253 120.019 115.700 0.110 0.000 2.566 331 S HA 0.782 5.256 4.470 0.006 0.000 0.273 331 S C -1.913 172.838 174.600 0.252 0.000 1.157 331 S CA -0.478 57.831 58.200 0.183 0.000 0.938 331 S CB 1.512 64.811 63.200 0.165 0.000 1.087 331 S HN 1.198 nan 8.310 nan 0.000 0.474 332 L N 5.151 126.466 121.223 0.154 0.000 2.385 332 L HA 0.682 5.025 4.340 0.006 0.000 0.273 332 L C -2.433 174.429 176.870 -0.013 0.000 0.990 332 L CA -1.679 53.218 54.840 0.094 0.000 0.821 332 L CB 1.480 43.585 42.059 0.076 0.000 1.279 332 L HN 0.484 nan 8.230 nan 0.000 0.412 333 P HA 0.030 nan 4.420 nan 0.000 0.258 333 P C -0.552 176.524 177.300 -0.374 0.000 1.172 333 P CA 0.182 63.151 63.100 -0.218 0.000 0.762 333 P CB 0.245 31.787 31.700 -0.263 0.000 0.764 334 L N 6.239 127.365 121.223 -0.161 0.000 2.454 334 L HA 0.150 4.494 4.340 0.006 0.000 0.284 334 L C -0.202 176.650 176.870 -0.031 0.000 1.139 334 L CA -0.077 54.728 54.840 -0.058 0.000 0.911 334 L CB -0.751 41.312 42.059 0.007 0.000 1.262 334 L HN 0.620 nan 8.230 nan 0.000 0.453 335 H N 2.016 121.132 119.070 0.078 0.000 3.240 335 H HA 0.732 5.292 4.556 0.006 0.000 0.329 335 H C -0.489 174.875 175.328 0.060 0.000 1.024 335 H CA -0.690 55.384 56.048 0.044 0.000 1.487 335 H CB 0.627 30.403 29.762 0.023 0.000 1.909 335 H HN 0.632 nan 8.280 nan 0.000 0.465 336 G N 0.638 109.566 108.800 0.213 0.000 2.459 336 G HA2 0.445 4.408 3.960 0.006 0.000 0.685 336 G HA3 0.445 4.408 3.960 0.006 0.000 0.685 336 G C -0.099 174.917 174.900 0.193 0.000 1.303 336 G CA -0.418 44.782 45.100 0.165 0.000 0.907 336 G HN 1.134 nan 8.290 nan 0.000 0.632 337 G N -1.041 107.847 108.800 0.146 0.000 2.537 337 G HA2 0.717 4.680 3.960 0.006 0.000 0.273 337 G HA3 0.717 4.680 3.960 0.006 0.000 0.273 337 G C 0.298 175.292 174.900 0.156 0.000 1.189 337 G CA 0.400 45.610 45.100 0.183 0.000 0.881 337 G HN 1.702 nan 8.290 nan 0.000 0.535 338 R N -1.362 119.239 120.500 0.168 0.000 1.884 338 R HA -0.147 4.196 4.340 0.006 0.000 0.377 338 R C -0.134 176.041 176.300 -0.208 0.000 1.211 338 R CA 0.659 56.754 56.100 -0.009 0.000 1.026 338 R CB -0.943 29.351 30.300 -0.009 0.000 3.052 338 R HN 0.833 nan 8.270 nan 0.000 0.489 339 R N 3.315 123.506 120.500 -0.515 0.000 2.513 339 R HA 0.708 5.052 4.340 0.006 0.000 0.301 339 R C -0.774 175.309 176.300 -0.361 0.000 0.968 339 R CA -0.724 55.018 56.100 -0.597 0.000 0.872 339 R CB 1.027 30.615 30.300 -1.187 0.000 1.177 339 R HN 0.403 nan 8.270 nan 0.000 0.444 340 L N 4.191 125.298 121.223 -0.193 0.000 2.283 340 L HA 0.711 5.054 4.340 0.006 0.000 0.259 340 L C -0.732 176.115 176.870 -0.038 0.000 1.027 340 L CA -1.248 53.554 54.840 -0.064 0.000 0.828 340 L CB 2.180 44.263 42.059 0.040 0.000 1.380 340 L HN 0.700 nan 8.230 nan 0.000 0.425 341 M N -0.511 119.116 119.600 0.044 0.000 2.569 341 M HA 0.632 5.115 4.480 0.006 0.000 0.279 341 M C -1.229 175.212 176.300 0.234 0.000 1.253 341 M CA -0.552 54.793 55.300 0.076 0.000 0.867 341 M CB 2.069 34.738 32.600 0.114 0.000 1.727 341 M HN 0.451 nan 8.290 nan 0.000 0.467 342 H N 0.279 119.425 119.070 0.126 0.000 3.224 342 H HA 0.697 5.256 4.556 0.005 0.000 0.331 342 H C -2.179 173.280 175.328 0.219 0.000 1.002 342 H CA -0.421 55.743 56.048 0.192 0.000 1.473 342 H CB 1.032 30.912 29.762 0.197 0.000 1.830 342 H HN 0.793 nan 8.280 nan 0.000 0.485 343 I N 6.384 126.972 120.570 0.029 0.000 2.440 343 I HA 0.302 4.475 4.170 0.006 0.000 0.294 343 I C 0.147 176.161 176.117 -0.171 0.000 0.995 343 I CA 0.138 61.426 61.300 -0.019 0.000 1.306 343 I CB 0.730 38.778 38.000 0.081 0.000 1.407 343 I HN 0.708 nan 8.210 nan 0.000 0.501 344 H N 2.818 121.875 119.070 -0.022 0.000 2.950 344 H HA 0.422 4.981 4.556 0.005 0.000 0.307 344 H C -1.319 174.008 175.328 -0.001 0.000 1.403 344 H CA -1.060 54.978 56.048 -0.016 0.000 1.145 344 H CB 0.689 30.511 29.762 0.100 0.000 1.844 344 H HN 0.464 nan 8.280 nan 0.000 0.515 345 E N 0.926 121.270 120.200 0.240 0.000 2.392 345 E HA -0.071 4.283 4.350 0.006 0.000 0.264 345 E C 0.024 176.763 176.600 0.233 0.000 1.024 345 E CA -0.239 56.249 56.400 0.148 0.000 0.903 345 E CB 0.663 30.414 29.700 0.084 0.000 0.963 345 E HN 0.347 nan 8.360 nan 0.000 0.432 346 N N 3.411 122.191 118.700 0.132 0.000 3.178 346 N HA -0.025 4.718 4.740 0.006 0.000 0.300 346 N C -1.077 174.477 175.510 0.073 0.000 1.242 346 N CA -0.087 53.037 53.050 0.124 0.000 1.192 346 N CB -0.223 38.300 38.487 0.060 0.000 1.463 346 N HN 0.354 nan 8.380 nan 0.000 0.539 347 R N 0.267 120.804 120.500 0.061 0.000 2.778 347 R HA 0.722 5.065 4.340 0.006 0.000 0.277 347 R C -2.673 173.630 176.300 0.005 0.000 0.977 347 R CA -1.751 54.364 56.100 0.025 0.000 0.950 347 R CB 0.295 30.604 30.300 0.015 0.000 1.165 347 R HN 0.045 nan 8.270 nan 0.000 0.474 348 P HA 0.109 nan 4.420 nan 0.000 0.268 348 P C 0.464 177.751 177.300 -0.021 0.000 1.205 348 P CA 1.075 64.173 63.100 -0.004 0.000 0.771 348 P CB 0.949 32.649 31.700 0.000 0.000 0.858 349 G N 0.949 109.732 108.800 -0.029 0.000 2.258 349 G HA2 -0.318 3.645 3.960 0.006 0.000 0.233 349 G HA3 -0.318 3.645 3.960 0.006 0.000 0.233 349 G C 1.044 175.901 174.900 -0.072 0.000 1.006 349 G CA 0.244 45.320 45.100 -0.040 0.000 0.620 349 G HN 0.550 nan 8.290 nan 0.000 0.511 350 V N 0.759 120.604 119.914 -0.115 0.000 2.407 350 V HA 0.027 4.151 4.120 0.006 0.000 0.248 350 V C 2.523 178.494 176.094 -0.206 0.000 1.055 350 V CA 2.906 65.086 62.300 -0.199 0.000 1.049 350 V CB -0.111 31.494 31.823 -0.363 0.000 0.662 350 V HN 0.559 nan 8.190 nan 0.000 0.455 351 L N 0.330 121.464 121.223 -0.149 0.000 2.072 351 L HA -0.064 4.280 4.340 0.006 0.000 0.205 351 L C 2.590 179.431 176.870 -0.047 0.000 1.079 351 L CA 2.778 57.572 54.840 -0.077 0.000 0.752 351 L CB -1.013 41.043 42.059 -0.004 0.000 0.906 351 L HN 0.431 nan 8.230 nan 0.000 0.436 352 T N -0.330 114.200 114.554 -0.040 0.000 2.720 352 T HA -0.178 4.176 4.350 0.006 0.000 0.268 352 T C 1.848 176.525 174.700 -0.037 0.000 1.037 352 T CA 1.324 63.409 62.100 -0.025 0.000 1.144 352 T CB -0.502 68.353 68.868 -0.021 0.000 0.864 352 T HN 0.470 nan 8.240 nan 0.000 0.444 353 A N 0.547 123.330 122.820 -0.062 0.000 2.014 353 A HA 0.186 4.509 4.320 0.006 0.000 0.218 353 A C 2.238 179.759 177.584 -0.105 0.000 1.163 353 A CA 0.741 52.733 52.037 -0.076 0.000 0.652 353 A CB -0.633 18.320 19.000 -0.078 0.000 0.808 353 A HN 0.476 nan 8.150 nan 0.000 0.449 354 L N -0.559 120.595 121.223 -0.116 0.000 2.068 354 L HA -0.140 4.203 4.340 0.006 0.000 0.204 354 L C 2.188 179.036 176.870 -0.036 0.000 1.076 354 L CA 1.603 56.360 54.840 -0.139 0.000 0.753 354 L CB -0.326 41.629 42.059 -0.174 0.000 0.910 354 L HN 0.471 nan 8.230 nan 0.000 0.439 355 N N -0.465 118.260 118.700 0.041 0.000 2.120 355 N HA -0.250 4.494 4.740 0.006 0.000 0.188 355 N C 1.724 177.295 175.510 0.102 0.000 1.024 355 N CA 1.084 54.224 53.050 0.149 0.000 0.852 355 N CB -0.065 38.476 38.487 0.090 0.000 1.003 355 N HN 0.201 nan 8.380 nan 0.000 0.424 356 K N 1.413 121.816 120.400 0.006 0.000 2.089 356 K HA -0.185 4.138 4.320 0.006 0.000 0.210 356 K C 1.811 178.368 176.600 -0.072 0.000 1.048 356 K CA 1.178 57.452 56.287 -0.021 0.000 0.926 356 K CB -0.205 32.269 32.500 -0.042 0.000 0.714 356 K HN 0.196 nan 8.250 nan 0.000 0.448 357 I N 0.301 120.757 120.570 -0.191 0.000 2.236 357 I HA -0.319 3.854 4.170 0.006 0.000 0.249 357 I C 1.820 177.710 176.117 -0.378 0.000 1.102 357 I CA 1.587 62.666 61.300 -0.368 0.000 1.365 357 I CB -0.290 37.322 38.000 -0.647 0.000 1.051 357 I HN 0.136 nan 8.210 nan 0.000 0.420 358 F N 0.137 120.073 119.950 -0.023 0.000 2.317 358 F HA 0.098 4.629 4.527 0.006 0.000 0.293 358 F C 2.521 178.314 175.800 -0.012 0.000 1.085 358 F CA 0.768 58.758 58.000 -0.016 0.000 1.390 358 F CB -1.006 37.983 39.000 -0.017 0.000 1.077 358 F HN -0.075 nan 8.300 nan 0.000 0.517 359 A N 0.612 123.525 122.820 0.155 0.000 1.851 359 A HA -0.228 4.095 4.320 0.006 0.000 0.216 359 A C 2.054 179.667 177.584 0.048 0.000 1.195 359 A CA 1.971 54.059 52.037 0.085 0.000 0.622 359 A CB -0.955 18.080 19.000 0.057 0.000 0.831 359 A HN 0.438 nan 8.150 nan 0.000 0.444 360 E N -0.885 119.328 120.200 0.020 0.000 2.333 360 E HA -0.204 4.149 4.350 0.006 0.000 0.198 360 E C 1.846 178.452 176.600 0.010 0.000 1.007 360 E CA 1.041 57.444 56.400 0.005 0.000 0.845 360 E CB -0.080 29.611 29.700 -0.016 0.000 0.766 360 E HN 0.778 nan 8.360 nan 0.000 0.507 361 Q N -0.350 119.465 119.800 0.025 0.000 2.319 361 Q HA 0.071 4.414 4.340 0.006 0.000 0.202 361 Q C 0.648 176.680 176.000 0.052 0.000 0.896 361 Q CA 0.367 56.190 55.803 0.033 0.000 0.942 361 Q CB 0.616 29.378 28.738 0.040 0.000 1.083 361 Q HN 0.313 nan 8.270 nan 0.000 0.510 362 G N 0.685 109.518 108.800 0.055 0.000 2.249 362 G HA2 -0.232 3.732 3.960 0.006 0.000 0.273 362 G HA3 -0.232 3.732 3.960 0.006 0.000 0.273 362 G C -0.220 174.717 174.900 0.062 0.000 1.036 362 G CA 0.386 45.516 45.100 0.049 0.000 0.824 362 G HN 0.226 nan 8.290 nan 0.000 0.504 363 V N 0.329 120.303 119.914 0.100 0.000 2.407 363 V HA 0.403 4.527 4.120 0.006 0.000 0.278 363 V C 0.572 176.697 176.094 0.052 0.000 1.037 363 V CA -0.801 61.560 62.300 0.102 0.000 0.900 363 V CB 1.608 33.563 31.823 0.221 0.000 0.983 363 V HN 0.464 nan 8.190 nan 0.000 0.459 364 N N 4.515 123.218 118.700 0.004 0.000 2.422 364 N HA 0.335 5.079 4.740 0.006 0.000 0.264 364 N C -0.625 174.837 175.510 -0.080 0.000 1.063 364 N CA -0.197 52.840 53.050 -0.022 0.000 0.959 364 N CB 0.604 39.083 38.487 -0.013 0.000 1.087 364 N HN 0.616 nan 8.380 nan 0.000 0.483 365 I N 3.224 123.737 120.570 -0.095 0.000 2.352 365 I HA 0.203 4.377 4.170 0.006 0.000 0.290 365 I C 1.178 177.246 176.117 -0.082 0.000 1.036 365 I CA -0.400 60.810 61.300 -0.150 0.000 1.336 365 I CB 1.359 39.270 38.000 -0.149 0.000 1.407 365 I HN 0.692 nan 8.210 nan 0.000 0.497 366 A N 5.531 128.307 122.820 -0.073 0.000 1.935 366 A HA 0.543 4.866 4.320 0.006 0.000 0.214 366 A C 1.010 178.592 177.584 -0.004 0.000 1.178 366 A CA 1.057 53.080 52.037 -0.022 0.000 0.640 366 A CB 0.101 19.104 19.000 0.006 0.000 0.825 366 A HN 0.747 nan 8.150 nan 0.000 0.447 367 A N -1.492 121.315 122.820 -0.021 0.000 2.606 367 A HA 0.690 5.013 4.320 0.006 0.000 0.293 367 A C -0.929 176.638 177.584 -0.028 0.000 1.082 367 A CA -0.221 51.812 52.037 -0.008 0.000 0.685 367 A CB 1.132 20.144 19.000 0.019 0.000 1.284 367 A HN 0.474 nan 8.150 nan 0.000 0.408 368 Q N 0.468 120.263 119.800 -0.007 0.000 2.378 368 Q HA 0.502 4.845 4.340 0.006 0.000 0.262 368 Q C -2.636 173.415 176.000 0.085 0.000 0.978 368 Q CA -0.561 55.252 55.803 0.017 0.000 0.918 368 Q CB 1.803 30.542 28.738 0.001 0.000 1.415 368 Q HN 0.887 nan 8.270 nan 0.000 0.409 369 Y N 4.895 125.162 120.300 -0.055 0.000 2.346 369 Y HA 0.553 5.106 4.550 0.006 0.000 0.332 369 Y C -1.977 173.886 175.900 -0.061 0.000 0.985 369 Y CA -1.398 56.677 58.100 -0.042 0.000 1.112 369 Y CB 1.685 40.123 38.460 -0.036 0.000 1.170 369 Y HN 0.667 nan 8.280 nan 0.000 0.447 370 L N 7.016 128.437 121.223 0.329 0.000 2.376 370 L HA 0.540 4.883 4.340 0.006 0.000 0.275 370 L C -1.625 175.297 176.870 0.087 0.000 0.987 370 L CA -0.439 54.459 54.840 0.096 0.000 0.828 370 L CB 1.701 43.831 42.059 0.120 0.000 1.249 370 L HN 0.797 nan 8.230 nan 0.000 0.409 371 Q N 2.755 122.516 119.800 -0.064 0.000 2.365 371 Q HA 0.566 4.909 4.340 0.006 0.000 0.269 371 Q C -1.343 174.648 176.000 -0.015 0.000 1.061 371 Q CA -0.189 55.593 55.803 -0.034 0.000 0.816 371 Q CB 2.164 30.816 28.738 -0.143 0.000 1.325 371 Q HN 0.709 nan 8.270 nan 0.000 0.446 372 T N 1.793 116.349 114.554 0.003 0.000 2.841 372 T HA 0.598 4.952 4.350 0.006 0.000 0.283 372 T C -0.638 174.039 174.700 -0.039 0.000 1.000 372 T CA -0.235 61.855 62.100 -0.017 0.000 0.977 372 T CB 1.079 69.962 68.868 0.024 0.000 0.979 372 T HN 0.626 nan 8.240 nan 0.000 0.446 373 S N 2.449 118.097 115.700 -0.086 0.000 2.671 373 S HA 0.625 5.098 4.470 0.006 0.000 0.272 373 S C 1.912 176.478 174.600 -0.057 0.000 1.174 373 S CA 0.086 58.230 58.200 -0.094 0.000 1.004 373 S CB 0.434 63.531 63.200 -0.172 0.000 1.077 373 S HN 0.865 nan 8.310 nan 0.000 0.553 374 A N 0.913 123.703 122.820 -0.049 0.000 1.892 374 A HA -0.144 4.179 4.320 0.006 0.000 0.218 374 A C 1.935 179.504 177.584 -0.025 0.000 1.188 374 A CA 2.216 54.236 52.037 -0.029 0.000 0.631 374 A CB -0.643 18.341 19.000 -0.027 0.000 0.822 374 A HN 0.854 nan 8.150 nan 0.000 0.447 375 Q N -2.022 117.755 119.800 -0.038 0.000 2.127 375 Q HA 0.437 4.780 4.340 0.006 0.000 0.222 375 Q C 0.197 176.176 176.000 -0.035 0.000 0.794 375 Q CA 0.007 55.795 55.803 -0.025 0.000 1.010 375 Q CB -0.215 28.510 28.738 -0.022 0.000 1.170 375 Q HN 0.639 nan 8.270 nan 0.000 0.479 376 M N 0.155 119.707 119.600 -0.080 0.000 2.716 376 M HA 0.764 5.247 4.480 0.006 0.000 0.307 376 M C -1.086 175.128 176.300 -0.143 0.000 1.223 376 M CA -0.558 54.663 55.300 -0.132 0.000 0.871 376 M CB 2.475 34.924 32.600 -0.252 0.000 1.739 376 M HN 0.177 nan 8.290 nan 0.000 0.475 377 G N 1.551 110.212 108.800 -0.230 0.000 2.701 377 G HA2 0.563 4.526 3.960 0.006 0.000 0.300 377 G HA3 0.563 4.526 3.960 0.006 0.000 0.300 377 G C -2.708 171.917 174.900 -0.458 0.000 1.410 377 G CA -0.207 44.728 45.100 -0.274 0.000 1.014 377 G HN 0.618 nan 8.290 nan 0.000 0.509 378 Y N 2.151 122.232 120.300 -0.365 0.000 2.376 378 Y HA 0.729 5.282 4.550 0.005 0.000 0.340 378 Y C -1.132 174.711 175.900 -0.095 0.000 0.965 378 Y CA -1.514 56.443 58.100 -0.237 0.000 1.078 378 Y CB 2.161 40.530 38.460 -0.152 0.000 1.193 378 Y HN 0.589 nan 8.280 nan 0.000 0.452 379 V N 7.352 127.037 119.914 -0.382 0.000 2.841 379 V HA 0.818 4.941 4.120 0.006 0.000 0.310 379 V C -1.986 173.866 176.094 -0.403 0.000 1.090 379 V CA -0.622 61.507 62.300 -0.285 0.000 0.930 379 V CB 2.092 33.936 31.823 0.035 0.000 1.014 379 V HN 0.736 nan 8.190 nan 0.000 0.425 380 V N 7.804 127.534 119.914 -0.307 0.000 2.638 380 V HA 0.728 4.851 4.120 0.006 0.000 0.306 380 V C -0.864 175.167 176.094 -0.104 0.000 1.052 380 V CA -0.434 61.731 62.300 -0.224 0.000 0.885 380 V CB 1.723 33.390 31.823 -0.261 0.000 0.999 380 V HN 0.928 nan 8.190 nan 0.000 0.424 381 I N 2.374 122.885 120.570 -0.097 0.000 2.569 381 I HA 0.702 4.875 4.170 0.006 0.000 0.296 381 I C -1.088 174.931 176.117 -0.163 0.000 1.028 381 I CA -0.592 60.638 61.300 -0.116 0.000 1.082 381 I CB 2.317 40.238 38.000 -0.132 0.000 1.264 381 I HN 0.419 nan 8.210 nan 0.000 0.429 382 D N 7.144 127.455 120.400 -0.149 0.000 2.256 382 D HA 0.590 5.234 4.640 0.006 0.000 0.240 382 D C -0.485 175.703 176.300 -0.185 0.000 1.062 382 D CA -0.032 53.888 54.000 -0.133 0.000 0.832 382 D CB 2.759 43.532 40.800 -0.045 0.000 1.135 382 D HN 0.653 nan 8.370 nan 0.000 0.484 383 I N -1.747 118.698 120.570 -0.208 0.000 2.689 383 I HA 0.449 4.622 4.170 0.006 0.000 0.299 383 I C -0.487 175.562 176.117 -0.114 0.000 1.059 383 I CA -0.934 60.215 61.300 -0.252 0.000 1.055 383 I CB 2.407 40.124 38.000 -0.471 0.000 1.243 383 I HN -0.006 nan 8.210 nan 0.000 0.425 384 E N 4.869 125.020 120.200 -0.081 0.000 1.998 384 E HA 0.630 4.983 4.350 0.006 0.000 0.257 384 E C -0.333 176.263 176.600 -0.007 0.000 1.038 384 E CA -0.405 55.980 56.400 -0.025 0.000 0.869 384 E CB 1.044 30.735 29.700 -0.015 0.000 1.135 384 E HN 0.769 nan 8.360 nan 0.000 0.430 385 A N 2.990 125.814 122.820 0.007 0.000 2.765 385 A HA 0.591 4.915 4.320 0.006 0.000 0.305 385 A C -1.479 176.128 177.584 0.039 0.000 1.229 385 A CA -0.864 51.192 52.037 0.032 0.000 0.653 385 A CB 1.222 20.256 19.000 0.056 0.000 1.375 385 A HN 0.472 nan 8.150 nan 0.000 0.540 386 D N -2.123 118.306 120.400 0.047 0.000 2.585 386 D HA 0.557 5.200 4.640 0.006 0.000 0.254 386 D C 0.322 176.654 176.300 0.053 0.000 1.067 386 D CA -0.458 53.571 54.000 0.047 0.000 1.090 386 D CB 0.519 41.343 40.800 0.039 0.000 1.408 386 D HN 0.263 nan 8.370 nan 0.000 0.554 387 E N -0.131 120.100 120.200 0.051 0.000 2.114 387 E HA -0.213 4.140 4.350 0.006 0.000 0.199 387 E C 1.044 177.673 176.600 0.049 0.000 1.008 387 E CA 1.748 58.179 56.400 0.051 0.000 0.810 387 E CB -0.180 29.547 29.700 0.046 0.000 0.739 387 E HN 0.454 nan 8.360 nan 0.000 0.456 388 D N -0.666 119.759 120.400 0.043 0.000 2.077 388 D HA -0.138 4.505 4.640 0.006 0.000 0.193 388 D C 2.087 178.415 176.300 0.046 0.000 0.989 388 D CA 1.566 55.589 54.000 0.039 0.000 0.831 388 D CB -0.396 40.423 40.800 0.032 0.000 0.979 388 D HN 0.072 nan 8.370 nan 0.000 0.449 389 V N 2.024 121.971 119.914 0.054 0.000 2.324 389 V HA -0.294 3.830 4.120 0.006 0.000 0.250 389 V C 2.595 178.746 176.094 0.095 0.000 1.060 389 V CA 1.945 64.287 62.300 0.070 0.000 1.042 389 V CB -0.883 30.993 31.823 0.089 0.000 0.650 389 V HN 0.197 nan 8.190 nan 0.000 0.450 390 A N -0.544 122.335 122.820 0.098 0.000 1.849 390 A HA -0.269 4.054 4.320 0.006 0.000 0.217 390 A C 2.272 179.908 177.584 0.087 0.000 1.202 390 A CA 1.992 54.095 52.037 0.111 0.000 0.629 390 A CB -0.654 18.393 19.000 0.078 0.000 0.834 390 A HN 0.487 nan 8.150 nan 0.000 0.447 391 E N 0.044 120.281 120.200 0.062 0.000 2.070 391 E HA -0.215 4.139 4.350 0.006 0.000 0.197 391 E C 2.063 178.686 176.600 0.038 0.000 1.004 391 E CA 1.689 58.118 56.400 0.049 0.000 0.805 391 E CB -0.312 29.412 29.700 0.041 0.000 0.744 391 E HN 0.671 nan 8.360 nan 0.000 0.451 392 K N 0.021 120.440 120.400 0.032 0.000 2.097 392 K HA -0.085 4.238 4.320 0.006 0.000 0.206 392 K C 2.087 178.682 176.600 -0.008 0.000 1.049 392 K CA 1.160 57.454 56.287 0.012 0.000 0.933 392 K CB -0.111 32.395 32.500 0.010 0.000 0.717 392 K HN 0.049 nan 8.250 nan 0.000 0.442 393 A N 1.212 124.033 122.820 0.002 0.000 2.014 393 A HA -0.095 4.229 4.320 0.006 0.000 0.218 393 A C 2.022 179.585 177.584 -0.035 0.000 1.163 393 A CA 0.750 52.747 52.037 -0.067 0.000 0.652 393 A CB -0.321 18.677 19.000 -0.003 0.000 0.808 393 A HN 0.187 nan 8.150 nan 0.000 0.449 394 L N 0.193 121.437 121.223 0.035 0.000 1.994 394 L HA -0.217 4.126 4.340 0.006 0.000 0.208 394 L C 2.457 179.350 176.870 0.039 0.000 1.071 394 L CA 2.414 57.288 54.840 0.057 0.000 0.745 394 L CB -1.080 41.017 42.059 0.064 0.000 0.892 394 L HN 0.529 nan 8.230 nan 0.000 0.431 395 Q N -0.479 119.334 119.800 0.022 0.000 2.096 395 Q HA -0.289 4.055 4.340 0.006 0.000 0.208 395 Q C 2.212 178.214 176.000 0.004 0.000 0.993 395 Q CA 2.151 57.964 55.803 0.015 0.000 0.862 395 Q CB -0.589 28.152 28.738 0.006 0.000 0.915 395 Q HN 0.704 nan 8.270 nan 0.000 0.416 396 A N 0.937 123.740 122.820 -0.029 0.000 1.877 396 A HA -0.205 4.118 4.320 0.006 0.000 0.216 396 A C 2.115 179.679 177.584 -0.035 0.000 1.186 396 A CA 1.713 53.718 52.037 -0.053 0.000 0.620 396 A CB -0.608 18.324 19.000 -0.115 0.000 0.822 396 A HN 0.324 nan 8.150 nan 0.000 0.443 397 M N -0.612 118.970 119.600 -0.030 0.000 2.149 397 M HA -0.201 4.282 4.480 0.006 0.000 0.261 397 M C 1.935 178.349 176.300 0.191 0.000 1.064 397 M CA 1.825 57.140 55.300 0.025 0.000 1.102 397 M CB -0.470 32.164 32.600 0.058 0.000 1.369 397 M HN 0.335 nan 8.290 nan 0.000 0.408 398 K N 0.319 120.802 120.400 0.137 0.000 2.283 398 K HA -0.004 4.319 4.320 0.006 0.000 0.202 398 K C 1.319 177.972 176.600 0.087 0.000 1.048 398 K CA 1.013 57.373 56.287 0.120 0.000 0.948 398 K CB -0.097 32.447 32.500 0.073 0.000 0.742 398 K HN 0.266 nan 8.250 nan 0.000 0.458 399 A N 1.223 124.079 122.820 0.061 0.000 2.532 399 A HA 0.235 4.558 4.320 0.006 0.000 0.273 399 A C 0.196 177.800 177.584 0.034 0.000 1.342 399 A CA -0.297 51.761 52.037 0.036 0.000 0.929 399 A CB -0.257 18.750 19.000 0.012 0.000 1.051 399 A HN 0.075 nan 8.150 nan 0.000 0.521 400 I N 0.426 121.037 120.570 0.069 0.000 2.437 400 I HA 0.271 4.445 4.170 0.006 0.000 0.298 400 I C -2.374 173.776 176.117 0.056 0.000 0.984 400 I CA -2.590 58.740 61.300 0.049 0.000 1.214 400 I CB 1.819 39.845 38.000 0.044 0.000 1.365 400 I HN -0.007 nan 8.210 nan 0.000 0.469 401 P HA 0.039 nan 4.420 nan 0.000 0.256 401 P C 0.568 177.887 177.300 0.032 0.000 1.189 401 P CA 0.798 63.910 63.100 0.020 0.000 0.808 401 P CB 0.168 31.869 31.700 0.001 0.000 0.793 402 G N 1.815 110.641 108.800 0.043 0.000 2.144 402 G HA2 -0.203 3.760 3.960 0.006 0.000 0.218 402 G HA3 -0.203 3.760 3.960 0.006 0.000 0.218 402 G C 0.317 175.274 174.900 0.095 0.000 0.988 402 G CA -0.356 44.779 45.100 0.058 0.000 0.659 402 G HN 0.502 nan 8.290 nan 0.000 0.522 403 T N 0.913 115.522 114.554 0.093 0.000 2.799 403 T HA 0.453 4.806 4.350 0.006 0.000 0.296 403 T C 1.868 176.556 174.700 -0.020 0.000 0.947 403 T CA 0.347 62.476 62.100 0.047 0.000 1.141 403 T CB 0.989 69.919 68.868 0.103 0.000 0.891 403 T HN 0.260 nan 8.240 nan 0.000 0.533 404 I N 2.295 122.822 120.570 -0.072 0.000 2.810 404 I HA 0.216 4.389 4.170 0.006 0.000 0.262 404 I C 1.215 177.298 176.117 -0.057 0.000 1.131 404 I CA 0.550 61.824 61.300 -0.043 0.000 1.453 404 I CB 0.227 38.212 38.000 -0.024 0.000 1.161 404 I HN 0.413 nan 8.210 nan 0.000 0.444 405 R N -0.128 120.298 120.500 -0.122 0.000 2.716 405 R HA 0.755 5.098 4.340 0.006 0.000 0.271 405 R C -1.655 174.583 176.300 -0.103 0.000 1.028 405 R CA -0.679 55.385 56.100 -0.060 0.000 0.883 405 R CB 2.278 32.591 30.300 0.023 0.000 1.250 405 R HN 0.051 nan 8.270 nan 0.000 0.465 406 A N 1.318 124.157 122.820 0.031 0.000 2.574 406 A HA 0.801 5.124 4.320 0.006 0.000 0.297 406 A C -1.459 176.190 177.584 0.109 0.000 1.062 406 A CA -0.595 51.523 52.037 0.135 0.000 0.686 406 A CB 2.164 21.296 19.000 0.219 0.000 1.285 406 A HN 0.659 nan 8.150 nan 0.000 0.403 407 R N 0.586 121.153 120.500 0.112 0.000 2.566 407 R HA 0.471 4.815 4.340 0.006 0.000 0.271 407 R C -2.021 174.304 176.300 0.043 0.000 1.071 407 R CA -0.769 55.372 56.100 0.068 0.000 0.915 407 R CB 1.722 32.052 30.300 0.050 0.000 1.228 407 R HN 0.711 nan 8.270 nan 0.000 0.449 408 L N 6.166 127.409 121.223 0.033 0.000 2.315 408 L HA 0.292 4.636 4.340 0.006 0.000 0.278 408 L C 0.249 177.114 176.870 -0.009 0.000 1.088 408 L CA 0.223 55.068 54.840 0.008 0.000 0.899 408 L CB 0.598 42.676 42.059 0.033 0.000 1.277 408 L HN 0.820 nan 8.230 nan 0.000 0.431 409 L N 5.037 126.211 121.223 -0.081 0.000 2.131 409 L HA -0.052 4.291 4.340 0.006 0.000 0.210 409 L C 0.054 176.975 176.870 0.085 0.000 1.092 409 L CA 0.956 55.767 54.840 -0.050 0.000 0.759 409 L CB -0.644 41.323 42.059 -0.153 0.000 0.903 409 L HN 0.755 nan 8.230 nan 0.000 0.435 410 Y N 0.000 120.317 120.300 0.028 0.000 2.660 410 Y HA 0.000 4.553 4.550 0.005 0.000 0.201 410 Y CA 0.000 58.115 58.100 0.025 0.000 1.940 410 Y CB 0.000 38.472 38.460 0.021 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758