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 2ogx_1_A DATA FIRST_RESID 31 DATA SEQUENCE GKRPIRLLPW LQVVKIGGRV XDRGADAILP LVEELRKLLP EHRLLILTGA DATA SEQUENCE GVRARHVFSV GLDLGLPVGS LAPLAASEAG QNGHILAAXL ASEGVSYVEH DATA SEQUENCE PTVADQLAIH LSATRAVVGS AFPPYHHHEF PGSRIPPHRA DTGAFLLADA DATA SEQUENCE FGAAGLTIVE NVDGIYTADP NGPDRGQARF LPETSATDLA KSEGPLPVDR DATA SEQUENCE ALLDVXATAR HIERVQVVNG LVPGRLTAAL RGEHVGTLIR TGVRPA 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 31 G HA2 0.000 nan 3.960 nan 0.000 0.244 31 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 31 G C 0.000 174.892 174.900 -0.014 0.000 0.946 31 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 32 K N 0.546 120.943 120.400 -0.004 0.000 3.020 32 K HA -0.221 4.098 4.320 -0.001 0.000 0.266 32 K C 1.203 177.798 176.600 -0.009 0.000 1.067 32 K CA 1.238 57.524 56.287 -0.003 0.000 0.780 32 K CB -1.499 30.999 32.500 -0.004 0.000 1.220 32 K HN 0.954 nan 8.250 nan 0.000 0.483 33 R N -0.232 120.257 120.500 -0.018 0.000 2.637 33 R HA 0.425 4.764 4.340 -0.001 0.000 0.269 33 R C -1.831 174.468 176.300 -0.001 0.000 1.089 33 R CA -1.286 54.780 56.100 -0.056 0.000 1.177 33 R CB -0.148 30.069 30.300 -0.140 0.000 1.091 33 R HN -0.085 nan 8.270 nan 0.000 0.540 34 P HA 0.014 nan 4.420 nan 0.000 0.269 34 P C 0.225 177.646 177.300 0.202 0.000 1.215 34 P CA -0.181 62.960 63.100 0.069 0.000 0.780 34 P CB 0.297 32.027 31.700 0.051 0.000 0.898 35 I N -1.010 119.636 120.570 0.127 0.000 2.993 35 I HA 0.196 4.366 4.170 -0.001 0.000 0.286 35 I C 0.313 176.451 176.117 0.036 0.000 1.215 35 I CA -0.470 60.880 61.300 0.084 0.000 1.393 35 I CB 0.232 38.251 38.000 0.031 0.000 1.371 35 I HN 0.171 nan 8.210 nan 0.000 0.602 36 R N 3.928 124.343 120.500 -0.143 0.000 2.265 36 R HA 0.358 4.698 4.340 -0.001 0.000 0.314 36 R C 0.639 176.847 176.300 -0.155 0.000 1.053 36 R CA -0.514 55.413 56.100 -0.287 0.000 0.931 36 R CB 1.304 31.361 30.300 -0.405 0.000 1.024 36 R HN 0.700 nan 8.270 nan 0.000 0.457 37 L N 2.849 124.011 121.223 -0.101 0.000 2.095 37 L HA 0.006 4.345 4.340 -0.001 0.000 0.204 37 L C 0.746 177.469 176.870 -0.244 0.000 1.080 37 L CA 1.152 55.950 54.840 -0.070 0.000 0.759 37 L CB 0.060 42.176 42.059 0.094 0.000 0.914 37 L HN 0.470 nan 8.230 nan 0.000 0.439 38 L N 0.810 121.786 121.223 -0.411 0.000 2.529 38 L HA 0.233 4.572 4.340 -0.001 0.000 0.246 38 L C -1.729 174.626 176.870 -0.859 0.000 1.394 38 L CA -1.006 53.277 54.840 -0.930 0.000 0.906 38 L CB 1.313 42.683 42.059 -1.149 0.000 1.170 38 L HN -0.144 nan 8.230 nan 0.000 0.501 39 P HA -0.142 nan 4.420 nan 0.000 0.223 39 P C 1.062 178.239 177.300 -0.206 0.000 1.151 39 P CA 1.098 64.001 63.100 -0.328 0.000 0.787 39 P CB 0.045 31.641 31.700 -0.173 0.000 0.788 40 W N -1.071 120.190 121.300 -0.064 0.000 3.290 40 W HA 0.345 5.004 4.660 -0.001 0.000 0.287 40 W C 0.066 176.559 176.519 -0.044 0.000 1.288 40 W CA -0.686 56.633 57.345 -0.043 0.000 1.725 40 W CB -0.828 28.610 29.460 -0.038 0.000 1.103 40 W HN -0.173 nan 8.180 nan 0.000 0.670 41 L N 3.133 124.288 121.223 -0.112 0.000 2.349 41 L HA 0.244 4.584 4.340 -0.001 0.000 0.275 41 L C -0.025 176.834 176.870 -0.018 0.000 1.115 41 L CA 0.195 54.998 54.840 -0.061 0.000 0.820 41 L CB 0.930 42.752 42.059 -0.395 0.000 1.135 41 L HN -0.123 nan 8.230 nan 0.000 0.445 42 Q N 4.196 124.013 119.800 0.028 0.000 2.307 42 Q HA 0.446 4.786 4.340 -0.001 0.000 0.262 42 Q C -1.188 174.800 176.000 -0.020 0.000 0.961 42 Q CA -0.573 55.215 55.803 -0.023 0.000 0.882 42 Q CB 2.143 30.830 28.738 -0.085 0.000 1.264 42 Q HN 0.514 nan 8.270 nan 0.000 0.446 43 V N 2.776 122.677 119.914 -0.022 0.000 2.435 43 V HA 0.470 4.590 4.120 -0.001 0.000 0.290 43 V C -0.102 175.994 176.094 0.004 0.000 1.030 43 V CA -0.677 61.624 62.300 0.001 0.000 0.881 43 V CB 1.913 33.744 31.823 0.014 0.000 0.983 43 V HN 0.457 nan 8.190 nan 0.000 0.445 44 V N 4.926 124.849 119.914 0.016 0.000 2.483 44 V HA 0.457 4.576 4.120 -0.001 0.000 0.297 44 V C -0.067 176.051 176.094 0.040 0.000 1.027 44 V CA -0.858 61.455 62.300 0.022 0.000 0.855 44 V CB 1.847 33.679 31.823 0.016 0.000 0.995 44 V HN 0.796 nan 8.190 nan 0.000 0.424 45 K N 5.562 125.991 120.400 0.048 0.000 2.213 45 K HA 0.484 4.803 4.320 -0.001 0.000 0.270 45 K C -1.260 175.376 176.600 0.061 0.000 1.002 45 K CA -0.546 55.777 56.287 0.060 0.000 0.868 45 K CB 1.336 33.874 32.500 0.062 0.000 1.093 45 K HN 0.454 nan 8.250 nan 0.000 0.454 46 I N 3.595 124.206 120.570 0.069 0.000 2.330 46 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 46 I C 1.026 177.188 176.117 0.075 0.000 1.001 46 I CA -0.673 60.667 61.300 0.066 0.000 1.193 46 I CB 0.645 38.683 38.000 0.064 0.000 1.345 46 I HN 0.674 nan 8.210 nan 0.000 0.461 47 G N 4.010 112.851 108.800 0.068 0.000 2.353 47 G HA2 0.238 4.198 3.960 -0.001 0.000 0.239 47 G HA3 0.238 4.198 3.960 -0.001 0.000 0.239 47 G C 1.072 176.015 174.900 0.072 0.000 1.295 47 G CA 0.047 45.191 45.100 0.073 0.000 0.884 47 G HN 0.878 nan 8.290 nan 0.000 0.537 48 G N 1.316 110.167 108.800 0.085 0.000 2.448 48 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.219 48 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.219 48 G C 1.732 176.660 174.900 0.046 0.000 1.127 48 G CA 0.315 45.456 45.100 0.068 0.000 0.766 48 G HN 0.617 nan 8.290 nan 0.000 0.552 49 R N -0.254 120.274 120.500 0.047 0.000 2.193 49 R HA 0.123 4.463 4.340 -0.001 0.000 0.213 49 R C 1.013 177.332 176.300 0.032 0.000 1.055 49 R CA -0.173 55.948 56.100 0.034 0.000 0.995 49 R CB -0.195 30.126 30.300 0.036 0.000 0.893 49 R HN 0.265 nan 8.270 nan 0.000 0.459 53 R N 1.473 121.978 120.500 0.008 0.000 2.307 53 R HA 0.376 4.716 4.340 -0.001 0.000 0.199 53 R C 1.381 177.683 176.300 0.004 0.000 1.000 53 R CA 0.840 56.944 56.100 0.007 0.000 1.023 53 R CB 0.200 30.506 30.300 0.011 0.000 0.908 53 R HN 0.162 nan 8.270 nan 0.000 0.473 54 G N 0.459 109.261 108.800 0.004 0.000 2.645 54 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.239 54 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.239 54 G C 0.808 175.711 174.900 0.006 0.000 1.331 54 G CA -0.080 45.021 45.100 0.002 0.000 0.890 54 G HN 0.244 nan 8.290 nan 0.000 0.572 55 A N -1.279 121.544 122.820 0.004 0.000 1.958 55 A HA -0.129 4.190 4.320 -0.001 0.000 0.221 55 A C 2.057 179.645 177.584 0.007 0.000 1.178 55 A CA 2.861 54.901 52.037 0.006 0.000 0.642 55 A CB -0.683 18.319 19.000 0.004 0.000 0.816 55 A HN 0.796 nan 8.150 nan 0.000 0.453 56 D N -0.397 120.007 120.400 0.006 0.000 2.182 56 D HA -0.037 4.603 4.640 -0.001 0.000 0.201 56 D C 2.057 178.363 176.300 0.010 0.000 0.986 56 D CA 1.603 55.607 54.000 0.007 0.000 0.847 56 D CB -0.250 40.553 40.800 0.005 0.000 0.942 56 D HN 0.503 nan 8.370 nan 0.000 0.467 57 A N -0.278 122.549 122.820 0.012 0.000 1.956 57 A HA 0.119 4.438 4.320 -0.001 0.000 0.212 57 A C 2.232 179.827 177.584 0.019 0.000 1.188 57 A CA 0.086 52.132 52.037 0.016 0.000 0.675 57 A CB -0.190 18.820 19.000 0.018 0.000 0.845 57 A HN 0.114 nan 8.150 nan 0.000 0.455 58 I N -0.051 120.530 120.570 0.017 0.000 2.353 58 I HA -0.168 4.002 4.170 -0.001 0.000 0.248 58 I C 2.235 178.363 176.117 0.020 0.000 1.119 58 I CA 0.764 62.076 61.300 0.020 0.000 1.417 58 I CB -0.185 37.826 38.000 0.018 0.000 1.078 58 I HN 0.260 nan 8.210 nan 0.000 0.421 59 L N 0.682 121.915 121.223 0.016 0.000 2.017 59 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 59 L C -0.269 176.612 176.870 0.017 0.000 1.073 59 L CA 1.542 56.392 54.840 0.015 0.000 0.745 59 L CB -2.016 40.050 42.059 0.012 0.000 0.894 59 L HN 0.197 nan 8.230 nan 0.000 0.432 60 P HA -0.170 nan 4.420 nan 0.000 0.218 60 P C 1.756 179.069 177.300 0.022 0.000 1.149 60 P CA 1.015 64.126 63.100 0.018 0.000 0.817 60 P CB 0.058 31.767 31.700 0.016 0.000 0.785 61 L N -0.658 120.579 121.223 0.024 0.000 2.093 61 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 61 L C 2.133 179.021 176.870 0.031 0.000 1.085 61 L CA 1.741 56.598 54.840 0.029 0.000 0.755 61 L CB -1.106 40.972 42.059 0.031 0.000 0.904 61 L HN -0.216 nan 8.230 nan 0.000 0.435 62 V N -0.187 119.744 119.914 0.028 0.000 2.343 62 V HA -0.207 3.913 4.120 -0.001 0.000 0.247 62 V C 2.672 178.782 176.094 0.027 0.000 1.051 62 V CA 1.680 63.997 62.300 0.029 0.000 1.036 62 V CB -0.629 31.209 31.823 0.026 0.000 0.654 62 V HN 0.453 nan 8.190 nan 0.000 0.451 63 E N -0.139 120.075 120.200 0.024 0.000 2.110 63 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 63 E C 2.171 178.786 176.600 0.026 0.000 0.988 63 E CA 1.374 57.787 56.400 0.022 0.000 0.804 63 E CB -0.153 29.558 29.700 0.018 0.000 0.745 63 E HN 0.766 nan 8.360 nan 0.000 0.458 64 E N 0.413 120.631 120.200 0.029 0.000 2.072 64 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 64 E C 2.242 178.868 176.600 0.043 0.000 0.985 64 E CA 0.523 56.944 56.400 0.035 0.000 0.801 64 E CB -0.039 29.683 29.700 0.036 0.000 0.750 64 E HN 0.141 nan 8.360 nan 0.000 0.452 65 L N 0.602 121.851 121.223 0.043 0.000 2.042 65 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 65 L C 2.920 179.818 176.870 0.046 0.000 1.076 65 L CA 1.437 56.306 54.840 0.049 0.000 0.749 65 L CB -0.479 41.607 42.059 0.045 0.000 0.893 65 L HN 0.167 nan 8.230 nan 0.000 0.432 66 R N 0.728 121.249 120.500 0.035 0.000 2.091 66 R HA -0.203 4.137 4.340 -0.001 0.000 0.238 66 R C 2.197 178.513 176.300 0.026 0.000 1.136 66 R CA 1.643 57.759 56.100 0.028 0.000 0.959 66 R CB -0.047 30.266 30.300 0.022 0.000 0.856 66 R HN 0.305 nan 8.270 nan 0.000 0.437 67 K N 0.115 120.532 120.400 0.028 0.000 2.288 67 K HA -0.053 4.266 4.320 -0.001 0.000 0.201 67 K C 1.941 178.557 176.600 0.028 0.000 1.048 67 K CA 0.764 57.065 56.287 0.022 0.000 0.956 67 K CB 0.087 32.601 32.500 0.023 0.000 0.746 67 K HN 0.266 nan 8.250 nan 0.000 0.461 68 L N 0.700 121.956 121.223 0.055 0.000 2.341 68 L HA -0.048 4.292 4.340 -0.001 0.000 0.214 68 L C 1.973 178.888 176.870 0.074 0.000 1.115 68 L CA 0.337 55.236 54.840 0.097 0.000 0.820 68 L CB -0.238 41.920 42.059 0.166 0.000 0.944 68 L HN 0.123 nan 8.230 nan 0.000 0.452 69 L N 0.572 121.825 121.223 0.049 0.000 2.042 69 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 69 L C -0.278 176.594 176.870 0.003 0.000 1.076 69 L CA 1.389 56.250 54.840 0.036 0.000 0.749 69 L CB -1.864 40.210 42.059 0.025 0.000 0.893 69 L HN 0.273 nan 8.230 nan 0.000 0.432 70 P HA -0.130 nan 4.420 nan 0.000 0.233 70 P C 1.136 178.379 177.300 -0.095 0.000 1.167 70 P CA 1.206 64.277 63.100 -0.049 0.000 0.770 70 P CB 0.148 31.821 31.700 -0.044 0.000 0.837 71 E N -1.313 118.798 120.200 -0.149 0.000 2.251 71 E HA -0.017 4.333 4.350 -0.001 0.000 0.194 71 E C 0.208 176.519 176.600 -0.482 0.000 0.964 71 E CA 0.298 56.485 56.400 -0.355 0.000 0.868 71 E CB 0.378 29.788 29.700 -0.483 0.000 0.828 71 E HN 0.265 nan 8.360 nan 0.000 0.481 72 H N -0.622 118.456 119.070 0.013 0.000 2.946 72 H HA 0.414 4.969 4.556 -0.001 0.000 0.365 72 H C -0.683 174.666 175.328 0.036 0.000 1.197 72 H CA -0.811 55.255 56.048 0.031 0.000 1.131 72 H CB 1.182 30.968 29.762 0.040 0.000 1.849 72 H HN -0.069 nan 8.280 nan 0.000 0.555 73 R N 1.878 122.510 120.500 0.221 0.000 2.215 73 R HA 0.409 4.749 4.340 -0.001 0.000 0.336 73 R C -0.534 175.875 176.300 0.182 0.000 0.996 73 R CA -0.517 55.692 56.100 0.181 0.000 0.847 73 R CB 0.468 30.937 30.300 0.282 0.000 1.127 73 R HN 0.394 nan 8.270 nan 0.000 0.465 74 L N 3.755 125.052 121.223 0.123 0.000 2.322 74 L HA 0.467 4.807 4.340 -0.001 0.000 0.281 74 L C -0.418 176.482 176.870 0.050 0.000 1.014 74 L CA -1.227 53.660 54.840 0.078 0.000 0.815 74 L CB 1.813 43.914 42.059 0.070 0.000 1.247 74 L HN 0.274 nan 8.230 nan 0.000 0.421 75 L N 5.200 126.438 121.223 0.024 0.000 2.276 75 L HA 0.545 4.884 4.340 -0.001 0.000 0.286 75 L C -0.676 176.206 176.870 0.020 0.000 1.024 75 L CA 0.149 54.995 54.840 0.010 0.000 0.826 75 L CB 0.879 42.938 42.059 0.002 0.000 1.211 75 L HN 0.379 nan 8.230 nan 0.000 0.422 76 I N 6.405 126.986 120.570 0.018 0.000 2.321 76 I HA 0.367 4.536 4.170 -0.001 0.000 0.291 76 I C -0.693 175.445 176.117 0.035 0.000 0.998 76 I CA -0.357 60.961 61.300 0.031 0.000 1.227 76 I CB 1.172 39.193 38.000 0.036 0.000 1.368 76 I HN 0.475 nan 8.210 nan 0.000 0.466 77 L N 6.122 127.378 121.223 0.055 0.000 2.362 77 L HA 0.532 4.872 4.340 -0.001 0.000 0.275 77 L C -0.002 176.930 176.870 0.103 0.000 0.998 77 L CA -0.624 54.262 54.840 0.077 0.000 0.820 77 L CB 2.220 44.328 42.059 0.082 0.000 1.270 77 L HN 0.579 nan 8.230 nan 0.000 0.415 78 T N -0.618 114.018 114.554 0.137 0.000 2.902 78 T HA 0.667 5.017 4.350 -0.001 0.000 0.283 78 T C 0.386 175.201 174.700 0.192 0.000 1.009 78 T CA -0.592 61.593 62.100 0.141 0.000 1.051 78 T CB 2.043 70.992 68.868 0.134 0.000 0.999 78 T HN 0.608 nan 8.240 nan 0.000 0.474 79 G N -0.139 108.768 108.800 0.178 0.000 2.525 79 G HA2 0.560 4.519 3.960 -0.001 0.000 0.287 79 G HA3 0.560 4.519 3.960 -0.001 0.000 0.287 79 G C 0.730 175.754 174.900 0.206 0.000 1.350 79 G CA -0.460 44.791 45.100 0.251 0.000 1.039 79 G HN 1.010 nan 8.290 nan 0.000 0.513 80 A N -2.119 120.839 122.820 0.230 0.000 1.970 80 A HA 0.621 4.940 4.320 -0.001 0.000 0.204 80 A C 1.633 179.228 177.584 0.017 0.000 1.325 80 A CA 1.603 53.676 52.037 0.060 0.000 0.767 80 A CB -0.785 18.190 19.000 -0.041 0.000 0.949 80 A HN 2.506 nan 8.150 nan 0.000 0.481 81 G N -1.283 107.547 108.800 0.049 0.000 2.593 81 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.237 81 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.237 81 G C 1.026 175.910 174.900 -0.026 0.000 1.312 81 G CA 0.547 45.658 45.100 0.018 0.000 0.896 81 G HN 1.211 nan 8.290 nan 0.000 0.574 82 V N 1.147 121.048 119.914 -0.021 0.000 2.515 82 V HA -0.072 4.048 4.120 -0.001 0.000 0.250 82 V C 2.918 178.985 176.094 -0.046 0.000 1.058 82 V CA 2.978 65.263 62.300 -0.024 0.000 1.064 82 V CB -0.545 31.274 31.823 -0.008 0.000 0.675 82 V HN 0.634 nan 8.190 nan 0.000 0.461 83 R N -0.040 120.422 120.500 -0.065 0.000 2.152 83 R HA -0.074 4.266 4.340 -0.001 0.000 0.232 83 R C 2.322 178.543 176.300 -0.133 0.000 1.117 83 R CA 1.281 57.339 56.100 -0.069 0.000 0.981 83 R CB -0.498 29.751 30.300 -0.084 0.000 0.870 83 R HN 0.601 nan 8.270 nan 0.000 0.451 84 A N 1.247 123.918 122.820 -0.249 0.000 1.930 84 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 84 A C 1.924 179.076 177.584 -0.719 0.000 1.175 84 A CA 0.938 52.650 52.037 -0.542 0.000 0.627 84 A CB -0.161 18.497 19.000 -0.571 0.000 0.815 84 A HN 0.086 nan 8.150 nan 0.000 0.443 85 R N -0.637 119.656 120.500 -0.346 0.000 2.081 85 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 85 R C 2.027 178.295 176.300 -0.054 0.000 1.131 85 R CA 1.936 57.949 56.100 -0.145 0.000 0.960 85 R CB -1.320 28.978 30.300 -0.003 0.000 0.856 85 R HN 0.846 nan 8.270 nan 0.000 0.436 86 H N 0.484 119.490 119.070 -0.108 0.000 2.357 86 H HA -0.008 4.547 4.556 -0.001 0.000 0.301 86 H C 1.912 177.219 175.328 -0.035 0.000 1.082 86 H CA 1.626 57.644 56.048 -0.050 0.000 1.342 86 H CB -0.066 29.664 29.762 -0.054 0.000 1.389 86 H HN -0.031 nan 8.280 nan 0.000 0.511 87 V N -0.052 119.822 119.914 -0.067 0.000 2.515 87 V HA -0.188 3.931 4.120 -0.001 0.000 0.250 87 V C 1.730 177.863 176.094 0.064 0.000 1.058 87 V CA 1.519 63.789 62.300 -0.049 0.000 1.064 87 V CB -0.711 31.093 31.823 -0.032 0.000 0.675 87 V HN 0.391 nan 8.190 nan 0.000 0.461 88 F N 0.260 120.186 119.950 -0.040 0.000 2.134 88 F HA -0.086 4.440 4.527 -0.000 0.000 0.299 88 F C 2.877 178.639 175.800 -0.064 0.000 1.097 88 F CA 1.574 59.557 58.000 -0.028 0.000 1.264 88 F CB -1.529 37.473 39.000 0.003 0.000 1.001 88 F HN 0.229 nan 8.300 nan 0.000 0.479 89 S N -0.004 115.744 115.700 0.080 0.000 2.356 89 S HA -0.116 4.354 4.470 -0.001 0.000 0.223 89 S C 2.268 176.825 174.600 -0.073 0.000 1.032 89 S CA 1.383 59.569 58.200 -0.023 0.000 1.005 89 S CB -0.482 62.654 63.200 -0.105 0.000 0.867 89 S HN 0.069 nan 8.310 nan 0.000 0.449 90 V N 1.443 121.261 119.914 -0.160 0.000 2.307 90 V HA -0.034 4.085 4.120 -0.001 0.000 0.245 90 V C 2.784 178.865 176.094 -0.021 0.000 1.045 90 V CA 1.863 64.099 62.300 -0.107 0.000 1.024 90 V CB -1.593 30.147 31.823 -0.138 0.000 0.651 90 V HN 0.612 nan 8.190 nan 0.000 0.449 91 G N -0.235 108.579 108.800 0.024 0.000 2.418 91 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 91 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 91 G C 1.619 176.537 174.900 0.031 0.000 1.158 91 G CA 0.932 46.062 45.100 0.050 0.000 0.771 91 G HN 0.449 nan 8.290 nan 0.000 0.545 92 L N 0.151 121.392 121.223 0.029 0.000 2.093 92 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 92 L C 2.508 179.379 176.870 0.002 0.000 1.085 92 L CA 1.345 56.189 54.840 0.006 0.000 0.755 92 L CB -0.315 41.746 42.059 0.003 0.000 0.904 92 L HN 0.195 nan 8.230 nan 0.000 0.435 93 D N 0.197 120.597 120.400 -0.001 0.000 2.178 93 D HA -0.158 4.482 4.640 -0.001 0.000 0.201 93 D C 2.067 178.366 176.300 -0.001 0.000 0.980 93 D CA 0.961 54.958 54.000 -0.004 0.000 0.842 93 D CB 0.044 40.837 40.800 -0.011 0.000 0.948 93 D HN 0.224 nan 8.370 nan 0.000 0.472 94 L N -1.068 120.157 121.223 0.002 0.000 2.610 94 L HA 0.225 4.565 4.340 -0.001 0.000 0.232 94 L C 1.628 178.501 176.870 0.005 0.000 1.149 94 L CA 0.460 55.303 54.840 0.005 0.000 0.872 94 L CB -0.213 41.851 42.059 0.009 0.000 0.992 94 L HN 0.266 nan 8.230 nan 0.000 0.447 95 G N 0.360 109.162 108.800 0.003 0.000 2.143 95 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.249 95 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.249 95 G C 0.233 175.134 174.900 0.002 0.000 0.981 95 G CA -0.261 44.839 45.100 0.000 0.000 0.665 95 G HN 0.228 nan 8.290 nan 0.000 0.528 96 L N 1.920 123.149 121.223 0.009 0.000 2.426 96 L HA 0.355 4.694 4.340 -0.001 0.000 0.271 96 L C -0.775 176.102 176.870 0.012 0.000 1.169 96 L CA -1.707 53.143 54.840 0.017 0.000 0.836 96 L CB 0.397 42.478 42.059 0.037 0.000 1.112 96 L HN 0.060 nan 8.230 nan 0.000 0.465 97 P HA 0.002 nan 4.420 nan 0.000 0.277 97 P C 0.665 177.985 177.300 0.034 0.000 1.271 97 P CA -0.402 62.709 63.100 0.018 0.000 0.795 97 P CB 1.309 33.020 31.700 0.017 0.000 1.101 98 V N 1.034 120.966 119.914 0.031 0.000 2.515 98 V HA -0.103 4.016 4.120 -0.001 0.000 0.250 98 V C 2.373 178.530 176.094 0.105 0.000 1.058 98 V CA 2.636 64.953 62.300 0.027 0.000 1.064 98 V CB -1.472 30.367 31.823 0.027 0.000 0.675 98 V HN 0.791 nan 8.190 nan 0.000 0.461 99 G N -1.163 107.727 108.800 0.150 0.000 2.471 99 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.219 99 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.219 99 G C 1.727 176.840 174.900 0.355 0.000 1.125 99 G CA 1.047 46.295 45.100 0.247 0.000 0.775 99 G HN 0.554 nan 8.290 nan 0.000 0.548 100 S N 0.113 115.972 115.700 0.265 0.000 2.414 100 S HA 0.114 4.584 4.470 -0.001 0.000 0.227 100 S C 2.183 176.894 174.600 0.186 0.000 1.022 100 S CA 0.283 58.647 58.200 0.272 0.000 0.958 100 S CB -0.079 63.214 63.200 0.156 0.000 0.797 100 S HN 0.304 nan 8.310 nan 0.000 0.493 101 L N 1.012 122.326 121.223 0.152 0.000 2.240 101 L HA 0.035 4.374 4.340 -0.001 0.000 0.211 101 L C 2.725 179.764 176.870 0.280 0.000 1.106 101 L CA 0.777 55.735 54.840 0.196 0.000 0.793 101 L CB -0.723 41.351 42.059 0.025 0.000 0.927 101 L HN 0.289 nan 8.230 nan 0.000 0.446 102 A N 1.409 124.366 122.820 0.227 0.000 1.851 102 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 102 A C -0.074 177.624 177.584 0.189 0.000 1.195 102 A CA 1.781 53.998 52.037 0.301 0.000 0.622 102 A CB -1.884 17.319 19.000 0.337 0.000 0.831 102 A HN 0.279 nan 8.150 nan 0.000 0.444 103 P HA -0.085 nan 4.420 nan 0.000 0.220 103 P C 1.446 178.629 177.300 -0.194 0.000 1.148 103 P CA 0.819 63.698 63.100 -0.369 0.000 0.803 103 P CB -0.214 31.130 31.700 -0.593 0.000 0.782 104 L N -0.706 120.484 121.223 -0.055 0.000 2.093 104 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 104 L C 2.656 179.456 176.870 -0.116 0.000 1.085 104 L CA 1.620 56.435 54.840 -0.041 0.000 0.755 104 L CB -1.218 40.871 42.059 0.051 0.000 0.904 104 L HN -0.050 nan 8.230 nan 0.000 0.435 105 A N 0.033 122.794 122.820 -0.099 0.000 1.897 105 A HA -0.061 4.259 4.320 -0.001 0.000 0.215 105 A C 2.561 179.718 177.584 -0.712 0.000 1.181 105 A CA 1.364 53.183 52.037 -0.363 0.000 0.620 105 A CB -0.646 18.272 19.000 -0.136 0.000 0.821 105 A HN 0.357 nan 8.150 nan 0.000 0.443 106 A N 0.628 123.074 122.820 -0.623 0.000 1.948 106 A HA -0.169 4.150 4.320 -0.001 0.000 0.220 106 A C 2.510 179.916 177.584 -0.297 0.000 1.177 106 A CA 2.521 54.221 52.037 -0.563 0.000 0.636 106 A CB -1.062 17.968 19.000 0.050 0.000 0.815 106 A HN 1.076 nan 8.150 nan 0.000 0.449 107 S N -0.238 115.330 115.700 -0.221 0.000 2.400 107 S HA -0.190 4.279 4.470 -0.001 0.000 0.232 107 S C 1.595 176.106 174.600 -0.149 0.000 1.025 107 S CA 1.457 59.572 58.200 -0.141 0.000 0.993 107 S CB -0.382 62.745 63.200 -0.122 0.000 0.808 107 S HN 0.576 nan 8.310 nan 0.000 0.478 108 E N 1.926 121.999 120.200 -0.211 0.000 2.107 108 E HA 0.072 4.421 4.350 -0.001 0.000 0.191 108 E C 2.462 178.988 176.600 -0.123 0.000 0.982 108 E CA 1.137 57.435 56.400 -0.169 0.000 0.809 108 E CB -0.799 28.784 29.700 -0.195 0.000 0.756 108 E HN 0.702 nan 8.360 nan 0.000 0.459 109 A N 1.260 123.983 122.820 -0.163 0.000 1.930 109 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 109 A C 2.483 180.101 177.584 0.056 0.000 1.175 109 A CA 1.764 53.799 52.037 -0.004 0.000 0.627 109 A CB -1.020 18.037 19.000 0.095 0.000 0.815 109 A HN 0.326 nan 8.150 nan 0.000 0.443 110 G N -1.058 107.757 108.800 0.026 0.000 2.418 110 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 110 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 110 G C 1.541 176.412 174.900 -0.049 0.000 1.158 110 G CA 1.053 46.171 45.100 0.030 0.000 0.771 110 G HN 0.440 nan 8.290 nan 0.000 0.545 111 Q N 0.785 120.557 119.800 -0.047 0.000 2.079 111 Q HA -0.041 4.298 4.340 -0.001 0.000 0.200 111 Q C 2.511 178.495 176.000 -0.026 0.000 0.974 111 Q CA 0.906 56.674 55.803 -0.058 0.000 0.840 111 Q CB -0.643 28.043 28.738 -0.085 0.000 0.898 111 Q HN 0.372 nan 8.270 nan 0.000 0.430 112 N N 0.299 118.993 118.700 -0.011 0.000 2.149 112 N HA -0.116 4.624 4.740 -0.001 0.000 0.188 112 N C 1.783 177.314 175.510 0.034 0.000 1.019 112 N CA 1.471 54.531 53.050 0.016 0.000 0.857 112 N CB -0.569 37.940 38.487 0.036 0.000 0.997 112 N HN 0.404 nan 8.380 nan 0.000 0.426 113 G N -0.237 108.591 108.800 0.047 0.000 2.422 113 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.218 113 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.218 113 G C 1.273 176.149 174.900 -0.040 0.000 1.146 113 G CA 0.817 45.990 45.100 0.122 0.000 0.769 113 G HN 0.422 nan 8.290 nan 0.000 0.547 114 H N 0.060 118.939 119.070 -0.318 0.000 2.387 114 H HA 0.083 4.639 4.556 -0.001 0.000 0.299 114 H C 2.565 177.842 175.328 -0.086 0.000 1.090 114 H CA 1.265 57.154 56.048 -0.266 0.000 1.332 114 H CB -0.021 29.531 29.762 -0.351 0.000 1.386 114 H HN 0.325 nan 8.280 nan 0.000 0.516 115 I N -0.379 120.220 120.570 0.048 0.000 2.179 115 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 115 I C 2.190 178.329 176.117 0.037 0.000 1.088 115 I CA 0.893 62.212 61.300 0.032 0.000 1.357 115 I CB -0.147 37.861 38.000 0.014 0.000 1.051 115 I HN 0.202 nan 8.210 nan 0.000 0.409 116 L N 1.104 122.353 121.223 0.044 0.000 2.046 116 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 116 L C 2.534 179.436 176.870 0.053 0.000 1.077 116 L CA 2.140 57.009 54.840 0.049 0.000 0.747 116 L CB -0.742 41.352 42.059 0.059 0.000 0.896 116 L HN 0.195 nan 8.230 nan 0.000 0.432 117 A N -0.223 122.637 122.820 0.066 0.000 1.933 117 A HA 0.139 4.458 4.320 -0.001 0.000 0.218 117 A C 1.670 179.288 177.584 0.057 0.000 1.175 117 A CA 0.988 53.066 52.037 0.068 0.000 0.628 117 A CB -1.194 17.862 19.000 0.093 0.000 0.814 117 A HN 0.553 nan 8.150 nan 0.000 0.444 121 A N 0.658 123.499 122.820 0.034 0.000 1.940 121 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 121 A C 2.287 179.887 177.584 0.027 0.000 1.176 121 A CA 2.314 54.371 52.037 0.034 0.000 0.631 121 A CB -0.383 18.639 19.000 0.036 0.000 0.814 121 A HN 0.527 nan 8.150 nan 0.000 0.446 122 S N -0.545 115.168 115.700 0.023 0.000 2.515 122 S HA -0.045 4.424 4.470 -0.001 0.000 0.231 122 S C 1.083 175.692 174.600 0.016 0.000 0.987 122 S CA 1.035 59.245 58.200 0.017 0.000 0.936 122 S CB -0.139 63.070 63.200 0.015 0.000 0.766 122 S HN 0.549 nan 8.310 nan 0.000 0.528 123 E N 0.877 121.088 120.200 0.018 0.000 2.479 123 E HA 0.230 4.579 4.350 -0.001 0.000 0.193 123 E C 1.245 177.855 176.600 0.017 0.000 1.049 123 E CA 0.510 56.920 56.400 0.016 0.000 0.870 123 E CB 0.127 29.838 29.700 0.019 0.000 0.944 123 E HN 0.711 nan 8.360 nan 0.000 0.492 124 G N 0.852 109.665 108.800 0.021 0.000 2.144 124 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 124 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 124 G C 0.251 175.169 174.900 0.031 0.000 0.988 124 G CA 0.191 45.304 45.100 0.023 0.000 0.659 124 G HN 0.148 nan 8.290 nan 0.000 0.522 125 V N 1.028 120.962 119.914 0.035 0.000 2.481 125 V HA 0.767 4.886 4.120 -0.001 0.000 0.286 125 V C 0.491 176.614 176.094 0.048 0.000 1.042 125 V CA 0.054 62.378 62.300 0.040 0.000 0.928 125 V CB 1.713 33.559 31.823 0.038 0.000 0.986 125 V HN 0.390 nan 8.190 nan 0.000 0.462 126 S N 2.226 117.956 115.700 0.050 0.000 2.632 126 S HA 0.576 5.046 4.470 -0.001 0.000 0.289 126 S C -1.236 173.390 174.600 0.043 0.000 1.115 126 S CA -0.525 57.712 58.200 0.063 0.000 0.889 126 S CB 1.705 64.951 63.200 0.076 0.000 1.116 126 S HN 0.625 nan 8.310 nan 0.000 0.486 127 Y N 2.454 122.693 120.300 -0.102 0.000 2.319 127 Y HA 0.492 5.042 4.550 -0.001 0.000 0.328 127 Y C -0.235 175.568 175.900 -0.162 0.000 1.133 127 Y CA -0.241 57.735 58.100 -0.206 0.000 1.265 127 Y CB 0.500 38.666 38.460 -0.490 0.000 1.218 127 Y HN 0.448 nan 8.280 nan 0.000 0.508 128 V N 2.769 122.283 119.914 -0.667 0.000 2.680 128 V HA 0.572 4.692 4.120 -0.001 0.000 0.309 128 V C -0.522 175.199 176.094 -0.621 0.000 1.052 128 V CA -1.179 60.838 62.300 -0.472 0.000 0.908 128 V CB 1.683 33.249 31.823 -0.428 0.000 1.001 128 V HN 0.838 nan 8.190 nan 0.000 0.431 129 E N 0.927 120.977 120.200 -0.250 0.000 2.342 129 E HA 0.332 4.681 4.350 -0.001 0.000 0.257 129 E C 0.793 177.323 176.600 -0.116 0.000 1.150 129 E CA -0.082 56.231 56.400 -0.144 0.000 0.926 129 E CB 0.835 30.566 29.700 0.052 0.000 1.074 129 E HN 0.866 nan 8.360 nan 0.000 0.449 130 H N 0.609 119.684 119.070 0.009 0.000 2.319 130 H HA -0.144 4.411 4.556 -0.001 0.000 0.297 130 H C -0.994 174.332 175.328 -0.003 0.000 1.097 130 H CA 1.678 57.731 56.048 0.008 0.000 1.285 130 H CB -0.855 28.938 29.762 0.052 0.000 1.368 130 H HN 0.432 nan 8.280 nan 0.000 0.495 131 P HA -0.120 nan 4.420 nan 0.000 0.218 131 P C 1.314 178.642 177.300 0.047 0.000 1.148 131 P CA 1.657 64.804 63.100 0.079 0.000 0.822 131 P CB 0.054 31.797 31.700 0.071 0.000 0.784 132 T N -0.857 113.698 114.554 0.001 0.000 2.812 132 T HA -0.071 4.278 4.350 -0.001 0.000 0.264 132 T C 1.861 176.520 174.700 -0.069 0.000 1.042 132 T CA 1.067 63.125 62.100 -0.070 0.000 1.140 132 T CB -0.985 67.749 68.868 -0.224 0.000 0.870 132 T HN -0.114 nan 8.240 nan 0.000 0.445 133 V N 1.852 121.739 119.914 -0.046 0.000 2.332 133 V HA -0.189 3.931 4.120 -0.001 0.000 0.248 133 V C 2.886 179.078 176.094 0.164 0.000 1.055 133 V CA 1.783 64.110 62.300 0.046 0.000 1.038 133 V CB -1.168 30.698 31.823 0.072 0.000 0.651 133 V HN 0.533 nan 8.190 nan 0.000 0.450 134 A N -0.679 122.205 122.820 0.107 0.000 1.930 134 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 134 A C 1.905 179.556 177.584 0.112 0.000 1.175 134 A CA 2.133 54.219 52.037 0.082 0.000 0.627 134 A CB -0.319 18.695 19.000 0.024 0.000 0.815 134 A HN 0.557 nan 8.150 nan 0.000 0.443 135 D N -2.491 117.968 120.400 0.098 0.000 2.469 135 D HA 0.166 4.805 4.640 -0.001 0.000 0.240 135 D C 1.002 177.366 176.300 0.107 0.000 1.087 135 D CA 0.566 54.621 54.000 0.092 0.000 0.876 135 D CB 0.334 41.175 40.800 0.067 0.000 1.160 135 D HN 0.360 nan 8.370 nan 0.000 0.497 136 Q N 0.013 119.883 119.800 0.118 0.000 2.110 136 Q HA 0.252 4.591 4.340 -0.001 0.000 0.232 136 Q C 1.013 177.160 176.000 0.245 0.000 0.810 136 Q CA -0.074 55.841 55.803 0.186 0.000 1.083 136 Q CB 1.184 30.081 28.738 0.266 0.000 1.193 136 Q HN 0.011 nan 8.270 nan 0.000 0.471 137 L N 0.337 121.625 121.223 0.109 0.000 2.083 137 L HA -0.049 4.291 4.340 -0.001 0.000 0.209 137 L C 1.884 178.802 176.870 0.080 0.000 1.083 137 L CA 2.070 56.936 54.840 0.044 0.000 0.752 137 L CB -0.429 41.559 42.059 -0.117 0.000 0.899 137 L HN 0.294 nan 8.230 nan 0.000 0.433 138 A N -0.317 122.536 122.820 0.055 0.000 1.877 138 A HA -0.231 4.089 4.320 -0.001 0.000 0.216 138 A C 2.381 180.043 177.584 0.129 0.000 1.186 138 A CA 2.034 54.137 52.037 0.110 0.000 0.620 138 A CB -0.952 18.103 19.000 0.092 0.000 0.822 138 A HN 0.554 nan 8.150 nan 0.000 0.443 139 I N -1.381 119.244 120.570 0.093 0.000 2.315 139 I HA -0.257 3.912 4.170 -0.001 0.000 0.248 139 I C 2.238 178.321 176.117 -0.057 0.000 1.117 139 I CA 1.794 63.094 61.300 0.001 0.000 1.404 139 I CB -0.160 37.807 38.000 -0.055 0.000 1.071 139 I HN 0.463 nan 8.210 nan 0.000 0.419 140 H N 0.440 119.522 119.070 0.020 0.000 2.423 140 H HA -0.045 4.510 4.556 -0.001 0.000 0.297 140 H C 1.944 177.282 175.328 0.017 0.000 1.075 140 H CA 1.579 57.633 56.048 0.011 0.000 1.342 140 H CB -0.104 29.658 29.762 0.000 0.000 1.395 140 H HN 0.308 nan 8.280 nan 0.000 0.530 141 L N -0.699 120.613 121.223 0.150 0.000 2.554 141 L HA -0.027 4.312 4.340 -0.001 0.000 0.226 141 L C 2.217 179.104 176.870 0.029 0.000 1.137 141 L CA 0.363 55.273 54.840 0.118 0.000 0.863 141 L CB -0.050 42.147 42.059 0.230 0.000 0.985 141 L HN 0.221 nan 8.230 nan 0.000 0.451 142 S N -0.157 115.548 115.700 0.009 0.000 2.414 142 S HA -0.024 4.445 4.470 -0.001 0.000 0.227 142 S C 2.084 176.650 174.600 -0.056 0.000 1.022 142 S CA 1.044 59.212 58.200 -0.054 0.000 0.958 142 S CB 0.177 63.353 63.200 -0.040 0.000 0.797 142 S HN 0.449 nan 8.310 nan 0.000 0.493 143 A N -0.428 122.365 122.820 -0.046 0.000 1.970 143 A HA 0.262 4.581 4.320 -0.001 0.000 0.216 143 A C 1.313 178.881 177.584 -0.026 0.000 1.170 143 A CA 1.277 53.285 52.037 -0.049 0.000 0.645 143 A CB -0.268 18.689 19.000 -0.072 0.000 0.816 143 A HN 0.496 nan 8.150 nan 0.000 0.447 144 T N -3.373 111.177 114.554 -0.007 0.000 2.792 144 T HA 0.424 4.774 4.350 -0.001 0.000 0.303 144 T C 0.216 174.920 174.700 0.008 0.000 1.310 144 T CA -0.694 61.408 62.100 0.003 0.000 1.007 144 T CB 1.063 69.945 68.868 0.023 0.000 1.335 144 T HN 0.036 nan 8.240 nan 0.000 0.504 145 R N 0.423 120.928 120.500 0.008 0.000 2.161 145 R HA 0.448 4.787 4.340 -0.001 0.000 0.213 145 R C 0.551 176.875 176.300 0.040 0.000 1.055 145 R CA 0.644 56.751 56.100 0.012 0.000 0.996 145 R CB -0.422 29.882 30.300 0.007 0.000 0.901 145 R HN 0.667 nan 8.270 nan 0.000 0.456 146 A N 0.063 122.908 122.820 0.042 0.000 2.572 146 A HA 0.598 4.917 4.320 -0.001 0.000 0.295 146 A C -0.795 176.811 177.584 0.037 0.000 1.072 146 A CA -0.637 51.428 52.037 0.047 0.000 0.691 146 A CB 1.737 20.765 19.000 0.046 0.000 1.291 146 A HN -0.052 nan 8.150 nan 0.000 0.404 147 V N -1.206 118.721 119.914 0.022 0.000 3.040 147 V HA 0.924 5.044 4.120 -0.001 0.000 0.312 147 V C -0.726 175.346 176.094 -0.037 0.000 1.115 147 V CA -0.835 61.459 62.300 -0.010 0.000 0.998 147 V CB 1.430 33.231 31.823 -0.037 0.000 1.042 147 V HN 0.868 nan 8.190 nan 0.000 0.433 148 V N 1.614 121.485 119.914 -0.071 0.000 2.581 148 V HA 0.986 5.106 4.120 -0.001 0.000 0.303 148 V C 0.738 176.657 176.094 -0.292 0.000 1.041 148 V CA 0.595 62.853 62.300 -0.071 0.000 0.907 148 V CB 1.305 33.157 31.823 0.049 0.000 0.994 148 V HN 1.462 nan 8.190 nan 0.000 0.442 149 G N 1.387 110.042 108.800 -0.241 0.000 2.727 149 G HA2 0.534 4.493 3.960 -0.001 0.000 0.289 149 G HA3 0.534 4.493 3.960 -0.001 0.000 0.289 149 G C -1.001 173.863 174.900 -0.060 0.000 1.418 149 G CA -0.473 44.334 45.100 -0.489 0.000 0.818 149 G HN 0.675 nan 8.290 nan 0.000 0.486 150 S N -0.819 114.875 115.700 -0.009 0.000 2.548 150 S HA 0.468 4.937 4.470 -0.001 0.000 0.277 150 S C 1.484 176.240 174.600 0.260 0.000 1.315 150 S CA 0.431 58.755 58.200 0.205 0.000 1.050 150 S CB 1.080 64.387 63.200 0.178 0.000 0.918 150 S HN 1.376 nan 8.310 nan 0.000 0.497 151 A N 5.133 128.121 122.820 0.281 0.000 2.067 151 A HA 0.244 4.564 4.320 -0.001 0.000 0.217 151 A C 0.487 178.217 177.584 0.243 0.000 1.156 151 A CA 0.276 52.446 52.037 0.221 0.000 0.683 151 A CB -0.392 18.703 19.000 0.158 0.000 0.808 151 A HN 0.723 nan 8.150 nan 0.000 0.455 152 F N 1.308 121.370 119.950 0.186 0.000 2.471 152 F HA 0.297 4.823 4.527 -0.001 0.000 0.353 152 F C -1.709 174.162 175.800 0.117 0.000 1.113 152 F CA -1.970 56.124 58.000 0.157 0.000 1.262 152 F CB 0.717 39.847 39.000 0.216 0.000 1.146 152 F HN 0.089 nan 8.300 nan 0.000 0.578 153 P HA 0.186 nan 4.420 nan 0.000 0.282 153 P C -2.619 174.574 177.300 -0.178 0.000 1.259 153 P CA -2.038 60.961 63.100 -0.170 0.000 0.826 153 P CB 0.926 32.431 31.700 -0.325 0.000 1.064 154 P HA 0.094 nan 4.420 nan 0.000 0.220 154 P C 0.207 177.187 177.300 -0.534 0.000 1.778 154 P CA -0.067 62.581 63.100 -0.753 0.000 0.912 154 P CB -0.497 30.884 31.700 -0.531 0.000 1.861 155 Y N 0.446 120.450 120.300 -0.492 0.000 2.231 155 Y HA -0.113 4.437 4.550 -0.001 0.000 0.294 155 Y C 1.935 177.852 175.900 0.028 0.000 1.120 155 Y CA 0.885 58.883 58.100 -0.169 0.000 1.141 155 Y CB -0.753 37.659 38.460 -0.080 0.000 1.022 155 Y HN 0.216 nan 8.280 nan 0.000 0.523 156 H N -1.096 118.119 119.070 0.243 0.000 1.452 156 H HA -0.295 4.261 4.556 -0.001 0.000 0.090 156 H C 1.541 176.920 175.328 0.085 0.000 0.836 156 H CA 1.410 57.504 56.048 0.076 0.000 1.901 156 H CB -1.483 28.264 29.762 -0.025 0.000 2.257 156 H HN 0.285 nan 8.280 nan 0.000 0.961 157 H N 1.358 120.633 119.070 0.343 0.000 2.559 157 H HA 0.010 4.565 4.556 -0.001 0.000 0.273 157 H C 1.220 176.575 175.328 0.044 0.000 1.000 157 H CA 1.031 57.176 56.048 0.160 0.000 1.195 157 H CB -0.141 29.670 29.762 0.083 0.000 1.368 157 H HN 0.497 nan 8.280 nan 0.000 0.592 158 H N 0.607 119.806 119.070 0.215 0.000 2.524 158 H HA 0.068 4.623 4.556 -0.001 0.000 0.299 158 H C 0.398 175.866 175.328 0.233 0.000 1.074 158 H CA -0.214 55.926 56.048 0.153 0.000 1.115 158 H CB 0.691 30.469 29.762 0.027 0.000 1.522 158 H HN 0.244 nan 8.280 nan 0.000 0.543 159 E N 0.906 121.330 120.200 0.374 0.000 2.418 159 E HA 0.013 4.362 4.350 -0.001 0.000 0.261 159 E C -0.432 176.481 176.600 0.521 0.000 1.070 159 E CA -0.010 56.661 56.400 0.452 0.000 0.931 159 E CB 0.306 30.215 29.700 0.348 0.000 0.954 159 E HN 0.135 nan 8.360 nan 0.000 0.439 160 F N 4.027 124.149 119.950 0.287 0.000 2.418 160 F HA 0.252 4.778 4.527 -0.001 0.000 0.341 160 F C -1.220 174.649 175.800 0.115 0.000 1.120 160 F CA -2.031 56.083 58.000 0.190 0.000 1.232 160 F CB 0.792 39.933 39.000 0.235 0.000 1.175 160 F HN 0.427 nan 8.300 nan 0.000 0.569 161 P HA 0.385 nan 4.420 nan 0.000 0.278 161 P C 0.246 177.612 177.300 0.110 0.000 1.266 161 P CA 0.093 63.270 63.100 0.129 0.000 0.807 161 P CB 1.834 33.572 31.700 0.063 0.000 1.094 162 G N -0.846 107.990 108.800 0.060 0.000 3.435 162 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.197 162 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.197 162 G C 0.112 175.022 174.900 0.017 0.000 1.497 162 G CA 0.309 45.432 45.100 0.040 0.000 1.043 162 G HN 0.825 nan 8.290 nan 0.000 0.466 163 S N 0.339 116.046 115.700 0.012 0.000 2.608 163 S HA 0.654 5.123 4.470 -0.001 0.000 0.291 163 S C 1.284 175.864 174.600 -0.034 0.000 1.146 163 S CA -0.387 57.801 58.200 -0.019 0.000 1.043 163 S CB 1.409 64.587 63.200 -0.036 0.000 1.037 163 S HN 0.285 nan 8.310 nan 0.000 0.520 164 R N 1.713 122.178 120.500 -0.059 0.000 2.307 164 R HA 0.216 4.556 4.340 -0.001 0.000 0.199 164 R C -0.059 176.130 176.300 -0.185 0.000 1.000 164 R CA 0.338 56.384 56.100 -0.090 0.000 1.023 164 R CB -0.457 29.798 30.300 -0.076 0.000 0.908 164 R HN 0.530 nan 8.270 nan 0.000 0.473 165 I N 2.642 123.096 120.570 -0.194 0.000 2.336 165 I HA 0.280 4.450 4.170 -0.001 0.000 0.292 165 I C -2.258 173.739 176.117 -0.201 0.000 0.991 165 I CA -3.768 57.335 61.300 -0.328 0.000 1.227 165 I CB 1.173 39.045 38.000 -0.214 0.000 1.366 165 I HN -0.362 nan 8.210 nan 0.000 0.466 166 P HA 0.023 nan 4.420 nan 0.000 0.258 166 P C -1.824 175.459 177.300 -0.029 0.000 1.172 166 P CA -0.492 62.605 63.100 -0.004 0.000 0.762 166 P CB 0.093 31.890 31.700 0.162 0.000 0.764 167 P HA -0.072 nan 4.420 nan 0.000 0.224 167 P C -0.116 176.924 177.300 -0.433 0.000 1.157 167 P CA 1.149 64.086 63.100 -0.272 0.000 0.799 167 P CB 0.109 31.577 31.700 -0.387 0.000 0.809 168 H N 0.481 119.386 119.070 -0.275 0.000 2.914 168 H HA 0.290 4.846 4.556 -0.001 0.000 0.264 168 H C 1.095 176.136 175.328 -0.478 0.000 1.433 168 H CA -0.166 55.608 56.048 -0.457 0.000 1.342 168 H CB 0.114 29.373 29.762 -0.839 0.000 1.582 168 H HN 0.014 nan 8.280 nan 0.000 0.525 169 R N 0.754 120.985 120.500 -0.448 0.000 2.745 169 R HA 0.568 4.907 4.340 -0.001 0.000 0.214 169 R C 1.401 177.156 176.300 -0.908 0.000 1.456 169 R CA -0.231 55.323 56.100 -0.910 0.000 0.974 169 R CB 0.210 30.184 30.300 -0.542 0.000 2.210 169 R HN 0.459 nan 8.270 nan 0.000 0.520 170 A N 0.931 123.231 122.820 -0.867 0.000 1.897 170 A HA -0.130 4.189 4.320 -0.001 0.000 0.215 170 A C 1.492 178.978 177.584 -0.165 0.000 1.181 170 A CA 1.609 53.412 52.037 -0.391 0.000 0.620 170 A CB -0.556 18.419 19.000 -0.042 0.000 0.821 170 A HN 0.601 nan 8.150 nan 0.000 0.443 171 D N -0.174 120.147 120.400 -0.131 0.000 2.123 171 D HA -0.111 4.528 4.640 -0.001 0.000 0.196 171 D C 1.945 178.222 176.300 -0.037 0.000 0.992 171 D CA 1.925 55.895 54.000 -0.050 0.000 0.833 171 D CB -0.733 40.034 40.800 -0.054 0.000 0.954 171 D HN 0.401 nan 8.370 nan 0.000 0.455 172 T N 0.206 114.688 114.554 -0.119 0.000 2.737 172 T HA -0.064 4.285 4.350 -0.001 0.000 0.265 172 T C 2.041 176.709 174.700 -0.054 0.000 1.038 172 T CA 1.460 63.507 62.100 -0.088 0.000 1.144 172 T CB -0.629 68.137 68.868 -0.171 0.000 0.866 172 T HN 0.264 nan 8.240 nan 0.000 0.434 173 G N 1.094 109.808 108.800 -0.143 0.000 2.418 173 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.217 173 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.217 173 G C 1.831 176.711 174.900 -0.034 0.000 1.158 173 G CA 0.865 45.896 45.100 -0.115 0.000 0.771 173 G HN 0.574 nan 8.290 nan 0.000 0.545 174 A N 0.190 123.013 122.820 0.004 0.000 1.933 174 A HA 0.094 4.414 4.320 -0.001 0.000 0.218 174 A C 2.160 179.762 177.584 0.030 0.000 1.175 174 A CA 1.482 53.538 52.037 0.032 0.000 0.628 174 A CB -0.491 18.541 19.000 0.054 0.000 0.814 174 A HN 0.390 nan 8.150 nan 0.000 0.444 175 F N 0.382 120.301 119.950 -0.053 0.000 2.146 175 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 175 F C 1.900 177.664 175.800 -0.059 0.000 1.096 175 F CA 1.441 59.414 58.000 -0.045 0.000 1.275 175 F CB -0.224 38.746 39.000 -0.050 0.000 1.008 175 F HN 0.131 nan 8.300 nan 0.000 0.480 176 L N -0.458 120.794 121.223 0.048 0.000 2.013 176 L HA -0.266 4.074 4.340 -0.001 0.000 0.212 176 L C 2.413 179.144 176.870 -0.230 0.000 1.073 176 L CA 1.070 55.872 54.840 -0.063 0.000 0.753 176 L CB -0.852 41.184 42.059 -0.039 0.000 0.890 176 L HN 0.245 nan 8.230 nan 0.000 0.432 177 L N -0.246 120.842 121.223 -0.225 0.000 2.017 177 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 177 L C 2.667 179.350 176.870 -0.311 0.000 1.073 177 L CA 2.054 56.686 54.840 -0.346 0.000 0.745 177 L CB -0.878 41.083 42.059 -0.165 0.000 0.894 177 L HN 0.179 nan 8.230 nan 0.000 0.432 178 A N -1.012 121.688 122.820 -0.201 0.000 1.908 178 A HA -0.307 4.012 4.320 -0.001 0.000 0.218 178 A C 2.131 179.561 177.584 -0.257 0.000 1.181 178 A CA 2.160 54.101 52.037 -0.159 0.000 0.627 178 A CB -0.970 17.902 19.000 -0.213 0.000 0.818 178 A HN 0.543 nan 8.150 nan 0.000 0.445 179 D N -0.866 119.239 120.400 -0.492 0.000 2.149 179 D HA 0.084 4.724 4.640 -0.001 0.000 0.201 179 D C 2.050 178.265 176.300 -0.141 0.000 0.972 179 D CA 1.242 55.019 54.000 -0.372 0.000 0.835 179 D CB -0.153 40.307 40.800 -0.566 0.000 0.966 179 D HN 0.341 nan 8.370 nan 0.000 0.476 180 A N -0.373 122.309 122.820 -0.229 0.000 1.902 180 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 180 A C 2.043 179.538 177.584 -0.149 0.000 1.181 180 A CA 0.986 52.894 52.037 -0.215 0.000 0.623 180 A CB -1.138 17.637 19.000 -0.375 0.000 0.818 180 A HN 0.401 nan 8.150 nan 0.000 0.443 181 F N -0.462 119.408 119.950 -0.134 0.000 2.502 181 F HA 0.181 4.707 4.527 -0.001 0.000 0.298 181 F C 1.897 177.553 175.800 -0.239 0.000 1.111 181 F CA 0.482 58.371 58.000 -0.184 0.000 1.445 181 F CB -0.028 38.840 39.000 -0.220 0.000 1.081 181 F HN 0.411 nan 8.300 nan 0.000 0.558 182 G N 1.240 110.014 108.800 -0.044 0.000 2.246 182 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.273 182 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.273 182 G C 0.241 175.004 174.900 -0.228 0.000 1.055 182 G CA -0.152 44.771 45.100 -0.295 0.000 0.851 182 G HN 0.617 nan 8.290 nan 0.000 0.500 183 A N -0.423 122.322 122.820 -0.126 0.000 2.448 183 A HA 0.735 5.054 4.320 -0.001 0.000 0.239 183 A C 1.853 179.373 177.584 -0.107 0.000 1.080 183 A CA 0.944 52.900 52.037 -0.135 0.000 0.779 183 A CB 0.202 19.153 19.000 -0.081 0.000 1.026 183 A HN 1.873 nan 8.150 nan 0.000 0.499 184 A N 0.714 123.486 122.820 -0.081 0.000 2.067 184 A HA 0.432 4.751 4.320 -0.001 0.000 0.219 184 A C 1.189 178.757 177.584 -0.026 0.000 1.158 184 A CA 1.720 53.736 52.037 -0.035 0.000 0.661 184 A CB -0.562 18.442 19.000 0.008 0.000 0.801 184 A HN 2.230 nan 8.150 nan 0.000 0.452 185 G N -2.322 106.456 108.800 -0.036 0.000 2.523 185 G HA2 0.498 4.458 3.960 -0.001 0.000 0.291 185 G HA3 0.498 4.458 3.960 -0.001 0.000 0.291 185 G C -1.959 172.926 174.900 -0.025 0.000 1.450 185 G CA -0.317 44.769 45.100 -0.023 0.000 0.790 185 G HN 0.745 nan 8.290 nan 0.000 0.496 186 L N 0.333 121.559 121.223 0.004 0.000 2.409 186 L HA 0.839 5.178 4.340 -0.001 0.000 0.272 186 L C -0.482 176.414 176.870 0.043 0.000 0.980 186 L CA -0.224 54.631 54.840 0.025 0.000 0.826 186 L CB 2.265 44.359 42.059 0.058 0.000 1.268 186 L HN 0.556 nan 8.230 nan 0.000 0.407 187 T N 6.228 120.800 114.554 0.029 0.000 2.807 187 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 187 T C -0.277 174.451 174.700 0.046 0.000 0.993 187 T CA -0.161 61.959 62.100 0.034 0.000 0.970 187 T CB 1.099 69.974 68.868 0.012 0.000 0.950 187 T HN 0.437 nan 8.240 nan 0.000 0.441 188 I N 3.177 123.780 120.570 0.055 0.000 2.330 188 I HA 0.372 4.542 4.170 -0.001 0.000 0.289 188 I C -0.490 175.663 176.117 0.059 0.000 1.001 188 I CA -0.904 60.430 61.300 0.057 0.000 1.193 188 I CB 1.571 39.605 38.000 0.057 0.000 1.345 188 I HN 0.255 nan 8.210 nan 0.000 0.461 189 V N 7.150 127.098 119.914 0.058 0.000 2.328 189 V HA 0.350 4.469 4.120 -0.001 0.000 0.278 189 V C 0.191 176.322 176.094 0.062 0.000 1.021 189 V CA -0.428 61.907 62.300 0.058 0.000 0.838 189 V CB 1.065 32.919 31.823 0.051 0.000 0.999 189 V HN 0.709 nan 8.190 nan 0.000 0.447 190 E N 3.128 123.370 120.200 0.069 0.000 2.370 190 E HA 0.354 4.704 4.350 -0.001 0.000 0.259 190 E C -0.075 176.566 176.600 0.068 0.000 0.947 190 E CA -0.690 55.753 56.400 0.072 0.000 0.809 190 E CB 1.381 31.132 29.700 0.084 0.000 1.300 190 E HN 0.678 nan 8.360 nan 0.000 0.419 191 N N -0.418 118.322 118.700 0.066 0.000 2.268 191 N HA 0.032 4.771 4.740 -0.001 0.000 0.204 191 N C -0.114 175.434 175.510 0.064 0.000 1.124 191 N CA 0.051 53.134 53.050 0.055 0.000 0.838 191 N CB 0.134 38.646 38.487 0.041 0.000 0.994 191 N HN 0.176 nan 8.380 nan 0.000 0.489 192 V N -4.062 115.912 119.914 0.099 0.000 3.102 192 V HA 0.465 4.584 4.120 -0.001 0.000 0.312 192 V C 0.254 176.467 176.094 0.197 0.000 1.135 192 V CA -0.788 61.602 62.300 0.150 0.000 1.022 192 V CB 1.700 33.638 31.823 0.192 0.000 1.056 192 V HN -0.283 nan 8.190 nan 0.000 0.436 193 D N 1.068 121.627 120.400 0.265 0.000 2.218 193 D HA 0.318 4.957 4.640 -0.001 0.000 0.204 193 D C 0.904 177.412 176.300 0.348 0.000 0.976 193 D CA 2.322 56.435 54.000 0.187 0.000 0.853 193 D CB 0.295 41.065 40.800 -0.051 0.000 0.939 193 D HN 1.182 nan 8.370 nan 0.000 0.481 194 G N -1.004 108.063 108.800 0.443 0.000 2.455 194 G HA2 0.189 4.149 3.960 -0.001 0.000 0.223 194 G HA3 0.189 4.149 3.960 -0.001 0.000 0.223 194 G C -1.399 173.628 174.900 0.211 0.000 1.226 194 G CA -0.827 44.462 45.100 0.316 0.000 0.948 194 G HN 0.039 nan 8.290 nan 0.000 0.478 195 I N 1.206 121.747 120.570 -0.049 0.000 2.365 195 I HA 0.487 4.656 4.170 -0.001 0.000 0.291 195 I C -0.510 175.492 176.117 -0.191 0.000 1.004 195 I CA -0.502 60.780 61.300 -0.030 0.000 1.311 195 I CB 1.061 39.005 38.000 -0.093 0.000 1.401 195 I HN 0.414 nan 8.210 nan 0.000 0.491 196 Y N 1.906 122.206 120.300 -0.000 0.000 2.602 196 Y HA 0.169 4.718 4.550 -0.001 0.000 0.330 196 Y C 1.743 177.635 175.900 -0.014 0.000 1.114 196 Y CA -0.633 57.476 58.100 0.014 0.000 1.182 196 Y CB 1.395 39.902 38.460 0.079 0.000 1.305 196 Y HN 0.621 nan 8.280 nan 0.000 0.502 197 T N -1.816 112.836 114.554 0.164 0.000 3.072 197 T HA 0.414 4.764 4.350 -0.001 0.000 0.266 197 T C 0.370 175.121 174.700 0.085 0.000 1.127 197 T CA 0.727 62.877 62.100 0.084 0.000 1.107 197 T CB -0.274 68.630 68.868 0.061 0.000 0.910 197 T HN 0.637 nan 8.240 nan 0.000 0.513 198 A N 0.469 123.360 122.820 0.118 0.000 2.588 198 A HA 0.546 4.866 4.320 -0.001 0.000 0.290 198 A C -1.404 176.210 177.584 0.050 0.000 1.136 198 A CA -0.809 51.267 52.037 0.064 0.000 0.681 198 A CB 0.763 19.786 19.000 0.038 0.000 1.282 198 A HN 0.134 nan 8.150 nan 0.000 0.421 199 D N 1.261 121.669 120.400 0.014 0.000 2.412 199 D HA 0.161 4.801 4.640 -0.001 0.000 0.257 199 D C -1.357 174.890 176.300 -0.087 0.000 1.217 199 D CA -1.153 52.838 54.000 -0.016 0.000 0.897 199 D CB 0.990 41.785 40.800 -0.008 0.000 1.132 199 D HN 0.186 nan 8.370 nan 0.000 0.493 200 P HA -0.007 nan 4.420 nan 0.000 0.242 200 P C 0.057 177.240 177.300 -0.196 0.000 1.197 200 P CA 0.305 63.199 63.100 -0.344 0.000 0.765 200 P CB 0.457 31.657 31.700 -0.834 0.000 0.936 201 N N -0.314 118.316 118.700 -0.116 0.000 2.234 201 N HA 0.142 4.881 4.740 -0.001 0.000 0.227 201 N C 0.958 176.442 175.510 -0.042 0.000 1.151 201 N CA 0.133 53.142 53.050 -0.069 0.000 0.865 201 N CB 1.049 39.508 38.487 -0.047 0.000 1.066 201 N HN 0.136 nan 8.380 nan 0.000 0.515 202 G N 0.972 109.746 108.800 -0.042 0.000 2.753 202 G HA2 0.343 4.302 3.960 -0.001 0.000 0.285 202 G HA3 0.343 4.302 3.960 -0.001 0.000 0.285 202 G C -1.460 173.430 174.900 -0.018 0.000 1.344 202 G CA -0.899 44.188 45.100 -0.022 0.000 1.050 202 G HN -0.161 nan 8.290 nan 0.000 0.532 203 P HA -0.062 nan 4.420 nan 0.000 0.215 203 P C 0.383 177.679 177.300 -0.006 0.000 1.153 203 P CA 1.146 64.242 63.100 -0.006 0.000 0.853 203 P CB 0.239 31.939 31.700 -0.001 0.000 0.788 204 D N -0.797 119.599 120.400 -0.006 0.000 2.370 204 D HA 0.011 4.651 4.640 -0.001 0.000 0.230 204 D C 1.845 178.140 176.300 -0.007 0.000 1.143 204 D CA -0.094 53.905 54.000 -0.002 0.000 0.834 204 D CB -0.368 40.435 40.800 0.005 0.000 0.944 204 D HN 0.243 nan 8.370 nan 0.000 0.504 205 R N 1.356 121.843 120.500 -0.022 0.000 2.154 205 R HA -0.165 4.174 4.340 -0.001 0.000 0.248 205 R C 1.838 178.122 176.300 -0.027 0.000 1.155 205 R CA 1.821 57.896 56.100 -0.043 0.000 0.979 205 R CB -0.561 29.708 30.300 -0.051 0.000 0.869 205 R HN 0.169 nan 8.270 nan 0.000 0.452 206 G N 0.041 108.835 108.800 -0.009 0.000 2.422 206 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 206 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 206 G C 0.957 175.868 174.900 0.018 0.000 1.140 206 G CA 0.407 45.509 45.100 0.003 0.000 0.775 206 G HN 0.398 nan 8.290 nan 0.000 0.545 207 Q N -0.049 119.765 119.800 0.022 0.000 2.247 207 Q HA 0.512 4.852 4.340 -0.001 0.000 0.204 207 Q C 0.806 176.843 176.000 0.062 0.000 0.872 207 Q CA -0.011 55.814 55.803 0.037 0.000 0.951 207 Q CB 0.853 29.608 28.738 0.028 0.000 1.099 207 Q HN 0.346 nan 8.270 nan 0.000 0.501 208 A N 1.365 124.226 122.820 0.069 0.000 2.395 208 A HA 0.307 4.626 4.320 -0.001 0.000 0.286 208 A C -0.176 177.567 177.584 0.265 0.000 1.193 208 A CA -0.169 51.949 52.037 0.135 0.000 0.852 208 A CB 0.084 19.105 19.000 0.035 0.000 1.118 208 A HN 0.174 nan 8.150 nan 0.000 0.524 209 R N 3.014 123.670 120.500 0.260 0.000 2.460 209 R HA 0.394 4.734 4.340 -0.001 0.000 0.303 209 R C -1.132 175.288 176.300 0.201 0.000 0.968 209 R CA -0.628 55.615 56.100 0.239 0.000 0.889 209 R CB 0.766 31.134 30.300 0.114 0.000 1.123 209 R HN 0.616 nan 8.270 nan 0.000 0.455 210 F N 4.873 124.772 119.950 -0.085 0.000 2.529 210 F HA 0.194 4.721 4.527 -0.001 0.000 0.365 210 F C -0.640 174.999 175.800 -0.269 0.000 1.102 210 F CA -0.058 57.631 58.000 -0.519 0.000 1.271 210 F CB 0.509 39.206 39.000 -0.505 0.000 1.120 210 F HN 0.358 nan 8.300 nan 0.000 0.579 211 L N 9.369 129.932 121.223 -1.100 0.000 2.283 211 L HA 0.278 4.617 4.340 -0.001 0.000 0.281 211 L C -1.772 174.466 176.870 -1.054 0.000 1.033 211 L CA -1.667 52.713 54.840 -0.768 0.000 0.848 211 L CB 1.126 42.920 42.059 -0.443 0.000 1.226 211 L HN 0.533 nan 8.230 nan 0.000 0.429 212 P HA -0.095 nan 4.420 nan 0.000 0.221 212 P C 0.029 177.328 177.300 -0.001 0.000 1.150 212 P CA 1.010 63.965 63.100 -0.243 0.000 0.800 212 P CB 0.415 32.142 31.700 0.045 0.000 0.787 213 E N -2.250 117.895 120.200 -0.090 0.000 2.352 213 E HA 0.500 4.850 4.350 -0.001 0.000 0.280 213 E C -1.305 175.236 176.600 -0.099 0.000 0.930 213 E CA -0.612 55.753 56.400 -0.059 0.000 0.765 213 E CB 1.705 31.400 29.700 -0.007 0.000 1.219 213 E HN -0.268 nan 8.360 nan 0.000 0.434 214 T N 0.864 115.362 114.554 -0.095 0.000 2.762 214 T HA 0.572 4.921 4.350 -0.001 0.000 0.301 214 T C -1.462 173.194 174.700 -0.074 0.000 1.299 214 T CA -0.197 61.851 62.100 -0.088 0.000 1.005 214 T CB 1.203 70.009 68.868 -0.104 0.000 1.377 214 T HN 0.507 nan 8.240 nan 0.000 0.504 215 S N 0.753 116.413 115.700 -0.067 0.000 2.607 215 S HA 0.747 5.217 4.470 -0.001 0.000 0.303 215 S C 1.497 176.054 174.600 -0.072 0.000 1.086 215 S CA -0.160 58.002 58.200 -0.063 0.000 0.995 215 S CB 1.366 64.536 63.200 -0.051 0.000 1.084 215 S HN 1.110 nan 8.310 nan 0.000 0.507 216 A N 1.737 124.507 122.820 -0.083 0.000 1.940 216 A HA -0.055 4.264 4.320 -0.001 0.000 0.219 216 A C 2.300 179.836 177.584 -0.080 0.000 1.176 216 A CA 2.299 54.277 52.037 -0.099 0.000 0.631 216 A CB -1.926 16.994 19.000 -0.133 0.000 0.814 216 A HN 1.204 nan 8.150 nan 0.000 0.446 217 T N -2.413 112.102 114.554 -0.064 0.000 2.821 217 T HA -0.135 4.215 4.350 -0.001 0.000 0.267 217 T C 1.366 176.039 174.700 -0.046 0.000 1.046 217 T CA 1.492 63.562 62.100 -0.051 0.000 1.139 217 T CB -0.436 68.408 68.868 -0.040 0.000 0.871 217 T HN 0.340 nan 8.240 nan 0.000 0.454 218 D N 1.422 121.794 120.400 -0.047 0.000 2.144 218 D HA 0.056 4.695 4.640 -0.001 0.000 0.200 218 D C 2.130 178.402 176.300 -0.046 0.000 0.978 218 D CA 0.673 54.647 54.000 -0.043 0.000 0.833 218 D CB -0.349 40.424 40.800 -0.045 0.000 0.961 218 D HN 0.369 nan 8.370 nan 0.000 0.470 219 L N 0.510 121.700 121.223 -0.055 0.000 2.093 219 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 219 L C 2.450 179.290 176.870 -0.051 0.000 1.085 219 L CA 1.033 55.840 54.840 -0.055 0.000 0.755 219 L CB -0.395 41.623 42.059 -0.067 0.000 0.904 219 L HN -0.027 nan 8.230 nan 0.000 0.435 220 A N 0.109 122.896 122.820 -0.054 0.000 2.019 220 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 220 A C 2.089 179.651 177.584 -0.037 0.000 1.164 220 A CA 1.383 53.390 52.037 -0.050 0.000 0.644 220 A CB -0.244 18.724 19.000 -0.054 0.000 0.805 220 A HN 0.361 nan 8.150 nan 0.000 0.449 221 K N 0.516 120.896 120.400 -0.033 0.000 2.387 221 K HA 0.089 4.408 4.320 -0.001 0.000 0.198 221 K C 0.278 176.865 176.600 -0.023 0.000 1.022 221 K CA 0.409 56.681 56.287 -0.026 0.000 1.128 221 K CB 0.283 32.769 32.500 -0.024 0.000 0.853 221 K HN 0.519 nan 8.250 nan 0.000 0.523 222 S N 0.518 116.203 115.700 -0.025 0.000 2.578 222 S HA 0.306 4.776 4.470 -0.001 0.000 0.283 222 S C -0.335 174.254 174.600 -0.018 0.000 1.195 222 S CA -0.911 57.278 58.200 -0.020 0.000 1.050 222 S CB 1.753 64.941 63.200 -0.021 0.000 1.012 222 S HN 0.050 nan 8.310 nan 0.000 0.511 223 E N 0.430 120.622 120.200 -0.012 0.000 2.248 223 E HA 0.681 5.030 4.350 -0.001 0.000 0.272 223 E C 0.218 176.814 176.600 -0.006 0.000 1.008 223 E CA -0.305 56.088 56.400 -0.011 0.000 0.856 223 E CB 1.483 31.178 29.700 -0.008 0.000 1.120 223 E HN 1.120 nan 8.360 nan 0.000 0.397 224 G N 2.119 110.916 108.800 -0.005 0.000 2.357 224 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.643 224 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.643 224 G C -2.890 172.011 174.900 0.001 0.000 1.358 224 G CA -1.172 43.929 45.100 0.001 0.000 0.986 224 G HN 0.426 nan 8.290 nan 0.000 0.620 225 P HA 0.684 nan 4.420 nan 0.000 0.274 225 P C -0.364 176.946 177.300 0.016 0.000 1.237 225 P CA -0.285 62.821 63.100 0.011 0.000 0.793 225 P CB 1.195 32.905 31.700 0.016 0.000 0.977 226 L N 1.654 122.886 121.223 0.014 0.000 2.359 226 L HA 0.420 4.760 4.340 -0.001 0.000 0.256 226 L C -1.552 175.335 176.870 0.029 0.000 1.026 226 L CA -1.756 53.095 54.840 0.019 0.000 0.828 226 L CB 2.572 44.627 42.059 -0.005 0.000 1.406 226 L HN 0.236 nan 8.230 nan 0.000 0.413 227 P HA 0.057 nan 4.420 nan 0.000 0.255 227 P C -0.399 176.918 177.300 0.028 0.000 1.248 227 P CA 0.325 63.455 63.100 0.050 0.000 0.807 227 P CB 0.280 32.029 31.700 0.083 0.000 1.150 228 V N -3.483 116.433 119.914 0.004 0.000 2.914 228 V HA 0.528 4.648 4.120 -0.001 0.000 0.314 228 V C -0.616 175.451 176.094 -0.045 0.000 1.084 228 V CA -1.287 61.001 62.300 -0.022 0.000 0.963 228 V CB 1.652 33.453 31.823 -0.036 0.000 1.025 228 V HN -0.294 nan 8.190 nan 0.000 0.432 229 D N 2.201 122.559 120.400 -0.070 0.000 2.472 229 D HA 0.135 4.775 4.640 -0.001 0.000 0.237 229 D C 1.254 177.487 176.300 -0.111 0.000 1.141 229 D CA 0.164 54.105 54.000 -0.099 0.000 0.875 229 D CB 0.869 41.579 40.800 -0.150 0.000 1.192 229 D HN 0.544 nan 8.370 nan 0.000 0.450 230 R N 1.908 122.344 120.500 -0.107 0.000 2.120 230 R HA -0.133 4.206 4.340 -0.001 0.000 0.234 230 R C 1.799 178.013 176.300 -0.143 0.000 1.123 230 R CA 1.164 57.198 56.100 -0.109 0.000 0.975 230 R CB -0.261 29.986 30.300 -0.088 0.000 0.866 230 R HN 0.483 nan 8.270 nan 0.000 0.446 231 A N 1.309 124.014 122.820 -0.192 0.000 2.070 231 A HA -0.137 4.183 4.320 -0.001 0.000 0.220 231 A C 2.079 179.550 177.584 -0.188 0.000 1.159 231 A CA 0.813 52.711 52.037 -0.231 0.000 0.656 231 A CB -0.324 18.416 19.000 -0.433 0.000 0.800 231 A HN 0.235 nan 8.150 nan 0.000 0.453 232 L N -0.184 120.925 121.223 -0.190 0.000 2.083 232 L HA -0.105 4.234 4.340 -0.001 0.000 0.209 232 L C 2.136 178.825 176.870 -0.302 0.000 1.083 232 L CA 1.690 56.388 54.840 -0.235 0.000 0.752 232 L CB -0.465 41.471 42.059 -0.206 0.000 0.899 232 L HN 0.411 nan 8.230 nan 0.000 0.433 233 L N -0.695 120.397 121.223 -0.218 0.000 2.131 233 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 233 L C 2.154 178.922 176.870 -0.170 0.000 1.092 233 L CA 1.122 55.843 54.840 -0.199 0.000 0.759 233 L CB -1.001 40.977 42.059 -0.135 0.000 0.903 233 L HN 0.283 nan 8.230 nan 0.000 0.435 234 D N 0.158 120.478 120.400 -0.133 0.000 2.123 234 D HA -0.057 4.583 4.640 -0.001 0.000 0.200 234 D C 1.235 177.496 176.300 -0.065 0.000 0.976 234 D CA 1.022 54.976 54.000 -0.076 0.000 0.831 234 D CB -0.394 40.383 40.800 -0.039 0.000 0.974 234 D HN 0.260 nan 8.370 nan 0.000 0.469 238 T N -1.002 113.565 114.554 0.022 0.000 3.105 238 T HA 0.634 4.984 4.350 -0.001 0.000 0.253 238 T C 0.812 175.545 174.700 0.054 0.000 1.047 238 T CA 0.844 62.964 62.100 0.034 0.000 0.944 238 T CB 0.040 68.933 68.868 0.042 0.000 1.016 238 T HN 1.305 nan 8.240 nan 0.000 0.544 239 A N 1.676 124.560 122.820 0.106 0.000 2.466 239 A HA 0.528 4.848 4.320 -0.001 0.000 0.238 239 A C 1.304 178.898 177.584 0.016 0.000 1.074 239 A CA -0.507 51.623 52.037 0.156 0.000 0.774 239 A CB 0.399 19.619 19.000 0.366 0.000 1.015 239 A HN 0.263 nan 8.150 nan 0.000 0.498 240 R N -0.561 119.888 120.500 -0.085 0.000 2.344 240 R HA 0.153 4.492 4.340 -0.001 0.000 0.209 240 R C 0.564 176.604 176.300 -0.433 0.000 0.886 240 R CA 0.808 56.734 56.100 -0.290 0.000 1.040 240 R CB 0.028 30.062 30.300 -0.443 0.000 1.114 240 R HN 0.900 nan 8.270 nan 0.000 0.547 241 H N -0.798 118.269 119.070 -0.005 0.000 2.089 241 H HA 0.291 4.847 4.556 -0.001 0.000 0.206 241 H C 0.467 175.791 175.328 -0.007 0.000 0.872 241 H CA -0.212 55.824 56.048 -0.020 0.000 0.979 241 H CB 0.883 30.612 29.762 -0.055 0.000 1.266 241 H HN -0.164 nan 8.280 nan 0.000 0.389 242 I N 3.288 123.924 120.570 0.110 0.000 2.581 242 I HA -0.036 4.133 4.170 -0.001 0.000 0.285 242 I C 1.088 177.296 176.117 0.153 0.000 1.129 242 I CA 0.779 62.134 61.300 0.092 0.000 1.397 242 I CB 0.547 38.549 38.000 0.003 0.000 1.399 242 I HN 0.348 nan 8.210 nan 0.000 0.537 243 E N 5.927 126.187 120.200 0.100 0.000 2.276 243 E HA 0.032 4.382 4.350 -0.001 0.000 0.193 243 E C 0.190 176.828 176.600 0.063 0.000 0.983 243 E CA 0.330 56.774 56.400 0.074 0.000 0.861 243 E CB 0.477 30.204 29.700 0.044 0.000 0.817 243 E HN 0.603 nan 8.360 nan 0.000 0.485 244 R N -0.655 119.887 120.500 0.070 0.000 2.643 244 R HA 0.581 4.920 4.340 -0.001 0.000 0.269 244 R C -1.478 174.865 176.300 0.071 0.000 1.037 244 R CA -0.764 55.361 56.100 0.042 0.000 0.894 244 R CB 1.542 31.838 30.300 -0.006 0.000 1.238 244 R HN -0.199 nan 8.270 nan 0.000 0.459 245 V N 1.958 121.907 119.914 0.059 0.000 2.588 245 V HA 0.349 4.469 4.120 -0.001 0.000 0.304 245 V C -0.637 175.477 176.094 0.033 0.000 1.042 245 V CA -0.712 61.633 62.300 0.075 0.000 0.877 245 V CB 1.784 33.679 31.823 0.120 0.000 0.996 245 V HN 0.764 nan 8.190 nan 0.000 0.425 246 Q N 2.775 122.597 119.800 0.038 0.000 2.271 246 Q HA 0.658 4.997 4.340 -0.001 0.000 0.258 246 Q C -1.370 174.665 176.000 0.059 0.000 0.936 246 Q CA -0.484 55.345 55.803 0.042 0.000 0.909 246 Q CB 2.053 30.821 28.738 0.050 0.000 1.253 246 Q HN 0.616 nan 8.270 nan 0.000 0.440 247 V N 5.098 125.053 119.914 0.068 0.000 2.370 247 V HA 0.470 4.590 4.120 -0.001 0.000 0.279 247 V C -0.108 176.055 176.094 0.116 0.000 1.029 247 V CA -0.468 61.881 62.300 0.081 0.000 0.870 247 V CB 1.032 32.898 31.823 0.070 0.000 0.984 247 V HN 0.630 nan 8.190 nan 0.000 0.451 248 V N 1.981 121.957 119.914 0.103 0.000 3.040 248 V HA 0.672 4.792 4.120 -0.001 0.000 0.312 248 V C -0.402 175.746 176.094 0.090 0.000 1.115 248 V CA -1.018 61.344 62.300 0.105 0.000 0.998 248 V CB 2.377 34.251 31.823 0.085 0.000 1.042 248 V HN 0.653 nan 8.190 nan 0.000 0.433 249 N N 1.968 120.715 118.700 0.079 0.000 2.415 249 N HA 0.332 5.072 4.740 -0.001 0.000 0.246 249 N C 1.088 176.628 175.510 0.049 0.000 1.078 249 N CA 0.619 53.709 53.050 0.066 0.000 0.942 249 N CB 1.371 39.890 38.487 0.053 0.000 1.140 249 N HN 1.104 nan 8.380 nan 0.000 0.501 250 G N 2.907 111.737 108.800 0.050 0.000 2.776 250 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.209 250 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.209 250 G C 1.257 176.178 174.900 0.034 0.000 1.145 250 G CA 0.227 45.352 45.100 0.042 0.000 0.791 250 G HN 0.629 nan 8.290 nan 0.000 0.530 251 L N 0.397 121.639 121.223 0.032 0.000 2.554 251 L HA 0.163 4.503 4.340 -0.001 0.000 0.226 251 L C 0.105 176.987 176.870 0.019 0.000 1.137 251 L CA -0.059 54.796 54.840 0.024 0.000 0.863 251 L CB 0.311 42.384 42.059 0.023 0.000 0.985 251 L HN -0.068 nan 8.230 nan 0.000 0.451 252 V N 0.905 120.831 119.914 0.020 0.000 2.311 252 V HA 0.285 4.405 4.120 -0.001 0.000 0.275 252 V C -2.155 173.950 176.094 0.017 0.000 1.022 252 V CA -1.731 60.577 62.300 0.013 0.000 0.830 252 V CB 0.894 32.721 31.823 0.005 0.000 1.012 252 V HN -0.026 nan 8.190 nan 0.000 0.452 253 P HA 0.221 nan 4.420 nan 0.000 0.262 253 P C 1.080 178.392 177.300 0.020 0.000 1.182 253 P CA 1.476 64.587 63.100 0.019 0.000 0.761 253 P CB 0.648 32.357 31.700 0.015 0.000 0.795 254 G N 2.979 111.795 108.800 0.027 0.000 2.254 254 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.225 254 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.225 254 G C 1.375 176.295 174.900 0.034 0.000 1.003 254 G CA -0.074 45.044 45.100 0.029 0.000 0.622 254 G HN 0.490 nan 8.290 nan 0.000 0.507 255 R N -0.346 120.173 120.500 0.032 0.000 2.075 255 R HA 0.103 4.443 4.340 -0.001 0.000 0.232 255 R C 2.598 178.925 176.300 0.045 0.000 1.126 255 R CA 1.581 57.704 56.100 0.038 0.000 0.963 255 R CB -0.365 29.956 30.300 0.036 0.000 0.858 255 R HN 0.489 nan 8.270 nan 0.000 0.435 256 L N 0.981 122.230 121.223 0.042 0.000 2.046 256 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 256 L C 1.930 178.825 176.870 0.042 0.000 1.077 256 L CA 1.970 56.833 54.840 0.039 0.000 0.747 256 L CB -0.809 41.273 42.059 0.038 0.000 0.896 256 L HN 0.050 nan 8.230 nan 0.000 0.432 257 T N 0.151 114.738 114.554 0.056 0.000 2.684 257 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 257 T C 1.912 176.660 174.700 0.081 0.000 1.036 257 T CA 1.638 63.787 62.100 0.081 0.000 1.148 257 T CB -0.665 68.247 68.868 0.073 0.000 0.863 257 T HN 0.554 nan 8.240 nan 0.000 0.436 258 A N 1.398 124.255 122.820 0.062 0.000 1.902 258 A HA 0.165 4.484 4.320 -0.001 0.000 0.217 258 A C 2.659 180.280 177.584 0.062 0.000 1.181 258 A CA 1.864 53.938 52.037 0.062 0.000 0.623 258 A CB -1.134 17.899 19.000 0.054 0.000 0.818 258 A HN 0.516 nan 8.150 nan 0.000 0.443 259 A N -0.358 122.494 122.820 0.054 0.000 1.933 259 A HA -0.021 4.298 4.320 -0.001 0.000 0.218 259 A C 2.075 179.668 177.584 0.015 0.000 1.175 259 A CA 1.437 53.501 52.037 0.045 0.000 0.628 259 A CB -0.584 18.443 19.000 0.045 0.000 0.814 259 A HN 0.471 nan 8.150 nan 0.000 0.444 260 L N -1.256 119.960 121.223 -0.012 0.000 2.362 260 L HA -0.070 4.270 4.340 -0.001 0.000 0.219 260 L C 2.217 179.083 176.870 -0.006 0.000 1.134 260 L CA 0.751 55.526 54.840 -0.108 0.000 0.807 260 L CB -0.220 41.657 42.059 -0.304 0.000 0.927 260 L HN 0.318 nan 8.230 nan 0.000 0.447 261 R N -0.381 120.165 120.500 0.077 0.000 2.359 261 R HA 0.174 4.514 4.340 -0.001 0.000 0.231 261 R C 1.239 177.579 176.300 0.065 0.000 0.913 261 R CA 0.544 56.705 56.100 0.102 0.000 1.075 261 R CB 0.427 30.790 30.300 0.103 0.000 1.087 261 R HN 0.342 nan 8.270 nan 0.000 0.515 262 G N 1.401 110.228 108.800 0.047 0.000 2.159 262 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.256 262 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.256 262 G C -0.195 174.736 174.900 0.051 0.000 0.977 262 G CA -0.093 45.030 45.100 0.038 0.000 0.652 262 G HN 0.405 nan 8.290 nan 0.000 0.531 263 E N 0.252 120.493 120.200 0.069 0.000 2.373 263 E HA 0.349 4.699 4.350 -0.001 0.000 0.267 263 E C 0.037 176.725 176.600 0.145 0.000 1.032 263 E CA -0.600 55.856 56.400 0.092 0.000 0.889 263 E CB 0.565 30.311 29.700 0.076 0.000 0.984 263 E HN 0.294 nan 8.360 nan 0.000 0.425 264 H N 2.779 121.870 119.070 0.036 0.000 2.820 264 H HA 0.176 4.731 4.556 -0.001 0.000 0.278 264 H C 0.026 175.386 175.328 0.053 0.000 1.142 264 H CA -0.766 55.309 56.048 0.045 0.000 1.346 264 H CB 0.004 29.792 29.762 0.043 0.000 1.438 264 H HN 0.327 nan 8.280 nan 0.000 0.473 265 V N 1.986 122.024 119.914 0.206 0.000 3.382 265 V HA 0.586 4.706 4.120 -0.001 0.000 0.296 265 V C 0.792 176.946 176.094 0.101 0.000 1.529 265 V CA 0.518 62.864 62.300 0.075 0.000 1.048 265 V CB 0.471 32.331 31.823 0.062 0.000 0.878 265 V HN 0.682 nan 8.190 nan 0.000 0.442 266 G N 0.065 109.007 108.800 0.236 0.000 3.100 266 G HA2 0.508 4.467 3.960 -0.001 0.000 0.174 266 G HA3 0.508 4.467 3.960 -0.001 0.000 0.174 266 G C -1.000 174.159 174.900 0.432 0.000 1.136 266 G CA 0.042 45.337 45.100 0.326 0.000 0.881 266 G HN 0.043 nan 8.290 nan 0.000 0.616 267 T N 1.416 116.122 114.554 0.253 0.000 2.749 267 T HA 0.542 4.891 4.350 -0.001 0.000 0.287 267 T C -0.136 174.598 174.700 0.056 0.000 0.970 267 T CA -0.055 62.081 62.100 0.060 0.000 0.980 267 T CB 0.883 69.672 68.868 -0.132 0.000 0.924 267 T HN 0.254 nan 8.240 nan 0.000 0.456 268 L N 4.604 125.836 121.223 0.015 0.000 2.290 268 L HA 0.491 4.831 4.340 -0.001 0.000 0.284 268 L C -0.148 176.677 176.870 -0.075 0.000 1.078 268 L CA -0.506 54.285 54.840 -0.082 0.000 0.815 268 L CB 0.649 42.564 42.059 -0.239 0.000 1.162 268 L HN 0.522 nan 8.230 nan 0.000 0.435 269 I N 4.265 124.802 120.570 -0.055 0.000 2.330 269 I HA 0.330 4.500 4.170 -0.001 0.000 0.289 269 I C 0.052 176.139 176.117 -0.050 0.000 1.001 269 I CA -0.577 60.685 61.300 -0.062 0.000 1.193 269 I CB 1.080 39.040 38.000 -0.067 0.000 1.345 269 I HN 0.513 nan 8.210 nan 0.000 0.461 270 R N 3.535 124.002 120.500 -0.054 0.000 2.298 270 R HA 0.176 4.516 4.340 -0.001 0.000 0.310 270 R C 1.188 177.463 176.300 -0.041 0.000 1.068 270 R CA -0.139 55.938 56.100 -0.038 0.000 0.957 270 R CB 0.888 31.165 30.300 -0.038 0.000 1.003 270 R HN 0.721 nan 8.270 nan 0.000 0.454 271 T N -0.798 113.746 114.554 -0.016 0.000 3.088 271 T HA 0.087 4.436 4.350 -0.001 0.000 0.259 271 T C 1.453 176.140 174.700 -0.022 0.000 1.122 271 T CA 0.547 62.628 62.100 -0.032 0.000 1.095 271 T CB 0.254 69.148 68.868 0.043 0.000 0.930 271 T HN 0.820 nan 8.240 nan 0.000 0.508 272 G N 0.709 109.503 108.800 -0.010 0.000 2.217 272 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.246 272 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.246 272 G C 0.135 175.037 174.900 0.003 0.000 0.990 272 G CA -0.087 45.008 45.100 -0.009 0.000 0.627 272 G HN 0.713 nan 8.290 nan 0.000 0.522 273 V N 3.488 123.415 119.914 0.022 0.000 2.599 273 V HA 0.372 4.491 4.120 -0.001 0.000 0.300 273 V C 1.164 177.268 176.094 0.016 0.000 1.034 273 V CA 0.654 62.967 62.300 0.022 0.000 1.115 273 V CB 0.569 32.419 31.823 0.047 0.000 0.934 273 V HN 0.639 nan 8.190 nan 0.000 0.485 274 R N 4.791 125.296 120.500 0.008 0.000 2.787 274 R HA 0.705 5.045 4.340 -0.001 0.000 0.271 274 R C -2.832 173.477 176.300 0.015 0.000 0.993 274 R CA -2.107 53.999 56.100 0.010 0.000 0.993 274 R CB 0.582 30.884 30.300 0.004 0.000 1.155 274 R HN 0.388 nan 8.270 nan 0.000 0.486 275 P HA 0.156 nan 4.420 nan 0.000 0.274 275 P C -0.589 176.724 177.300 0.022 0.000 1.237 275 P CA -0.413 62.704 63.100 0.027 0.000 0.793 275 P CB 0.581 32.296 31.700 0.024 0.000 0.977 276 A N 0.000 122.838 122.820 0.029 0.000 2.254 276 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 276 A CA 0.000 52.051 52.037 0.023 0.000 0.836 276 A CB 0.000 19.020 19.000 0.033 0.000 0.831 276 A HN 0.000 nan 8.150 nan 0.000 0.486