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 2x1d_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLHILCQGTP FEIGYEHGSA AKAVIARSID FAVDLIRGKT KKTDEELKQV DATA SEQUENCE LSQLGRVIEE RWPKYYEEIR GIAKGAERDV SEIVMLNTRT EFAYGLKXXX DATA SEQUENCE XXXTTAYCQL PNGALQGQNW DFFSATKENL IRLTIRQAGL PTIKFITEAG DATA SEQUENCE IIGKVGFNSA GVAVNYNALH LQGLRPTGVP SHIALRIALE STSPSQAYDR DATA SEQUENCE IVEQGGMAAS AFIMVGNGHE AFGLEFSPTS IRKQVLDANG RMVHTNHCLL DATA SEQUENCE QHGKNEKELD PLPDSWNRHQ RMEFLLDGFD GTKQAFAQLW ADEDNYPFSI DATA SEQUENCE CRAYEEGKSR GATLFNIIYD HARREATVRL GRPTNPDEMF VMRFDEEDER DATA SEQUENCE SALNAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.194 176.300 -0.177 0.000 1.140 1 M CA 0.000 55.222 55.300 -0.130 0.000 0.988 1 M CB 0.000 32.526 32.600 -0.123 0.000 1.302 2 L N 5.436 126.585 121.223 -0.124 0.000 2.601 2 L HA 0.113 4.455 4.340 0.002 0.000 0.277 2 L C -0.948 175.849 176.870 -0.121 0.000 1.219 2 L CA 1.319 56.089 54.840 -0.116 0.000 0.915 2 L CB -0.039 41.958 42.059 -0.103 0.000 1.160 2 L HN 0.647 nan 8.230 nan 0.000 0.494 3 H N 6.168 125.101 119.070 -0.230 0.000 2.489 3 H HA 0.520 5.077 4.556 0.002 0.000 0.343 3 H C -1.160 174.054 175.328 -0.189 0.000 1.086 3 H CA -1.107 54.793 56.048 -0.246 0.000 1.198 3 H CB 1.201 30.802 29.762 -0.268 0.000 1.490 3 H HN 0.665 nan 8.280 nan 0.000 0.504 4 I N 6.123 126.441 120.570 -0.419 0.000 2.418 4 I HA 0.090 4.261 4.170 0.002 0.000 0.287 4 I C -0.709 175.107 176.117 -0.502 0.000 1.008 4 I CA -0.957 60.077 61.300 -0.443 0.000 1.104 4 I CB 1.966 39.809 38.000 -0.262 0.000 1.264 4 I HN 0.372 nan 8.210 nan 0.000 0.438 5 L N 7.811 128.732 121.223 -0.504 0.000 2.283 5 L HA 0.411 4.752 4.340 0.002 0.000 0.287 5 L C -0.567 176.237 176.870 -0.109 0.000 1.073 5 L CA 0.264 54.954 54.840 -0.250 0.000 0.822 5 L CB 0.173 42.118 42.059 -0.189 0.000 1.186 5 L HN 0.658 nan 8.230 nan 0.000 0.436 6 C N 4.796 124.071 119.300 -0.041 0.000 2.355 6 C HA 0.782 5.243 4.460 0.002 0.000 0.332 6 C C 0.002 175.019 174.990 0.045 0.000 1.255 6 C CA -0.625 58.399 59.018 0.010 0.000 1.792 6 C CB 0.840 28.597 27.740 0.029 0.000 2.300 6 C HN 0.869 nan 8.230 nan 0.000 0.515 7 Q N 0.968 120.799 119.800 0.053 0.000 2.435 7 Q HA 0.623 4.964 4.340 0.002 0.000 0.282 7 Q C -0.102 175.938 176.000 0.067 0.000 1.020 7 Q CA 0.487 56.326 55.803 0.059 0.000 0.820 7 Q CB 2.238 31.004 28.738 0.046 0.000 1.436 7 Q HN 1.303 nan 8.270 nan 0.000 0.395 8 G N 0.469 109.310 108.800 0.067 0.000 2.337 8 G HA2 -0.108 3.853 3.960 0.002 0.000 0.197 8 G HA3 -0.108 3.853 3.960 0.002 0.000 0.197 8 G C -0.540 174.410 174.900 0.082 0.000 1.238 8 G CA -0.352 44.790 45.100 0.070 0.000 1.119 8 G HN 1.025 nan 8.290 nan 0.000 0.514 9 T N -0.394 114.217 114.554 0.095 0.000 2.828 9 T HA 0.580 4.931 4.350 0.002 0.000 0.290 9 T C -1.111 173.673 174.700 0.140 0.000 1.019 9 T CA -0.262 61.902 62.100 0.108 0.000 1.031 9 T CB 1.650 70.585 68.868 0.111 0.000 1.001 9 T HN 0.302 nan 8.240 nan 0.000 0.531 10 P HA -0.045 nan 4.420 nan 0.000 0.215 10 P C 1.275 178.686 177.300 0.185 0.000 1.157 10 P CA 0.752 63.952 63.100 0.166 0.000 0.868 10 P CB -0.154 31.648 31.700 0.171 0.000 0.788 11 F N 1.046 121.043 119.950 0.078 0.000 2.095 11 F HA -0.207 4.321 4.527 0.002 0.000 0.298 11 F C 2.061 177.921 175.800 0.101 0.000 1.104 11 F CA 1.700 59.745 58.000 0.074 0.000 1.232 11 F CB -0.536 38.492 39.000 0.048 0.000 0.987 11 F HN -0.080 nan 8.300 nan 0.000 0.475 12 E N 0.348 120.724 120.200 0.294 0.000 2.077 12 E HA -0.236 4.115 4.350 0.002 0.000 0.193 12 E C 2.352 179.028 176.600 0.127 0.000 0.989 12 E CA 1.728 58.249 56.400 0.201 0.000 0.800 12 E CB -0.324 29.476 29.700 0.167 0.000 0.746 12 E HN 0.496 nan 8.360 nan 0.000 0.452 13 I N 0.905 121.540 120.570 0.108 0.000 2.163 13 I HA -0.231 3.940 4.170 0.002 0.000 0.243 13 I C 2.557 178.718 176.117 0.073 0.000 1.085 13 I CA 1.349 62.706 61.300 0.095 0.000 1.347 13 I CB -0.524 37.544 38.000 0.113 0.000 1.044 13 I HN 0.176 nan 8.210 nan 0.000 0.408 14 G N -0.383 108.424 108.800 0.011 0.000 2.421 14 G HA2 -0.339 3.622 3.960 0.002 0.000 0.216 14 G HA3 -0.339 3.622 3.960 0.002 0.000 0.216 14 G C 1.646 176.458 174.900 -0.147 0.000 1.171 14 G CA 0.802 45.853 45.100 -0.082 0.000 0.775 14 G HN 0.391 nan 8.290 nan 0.000 0.543 15 Y N 1.501 121.613 120.300 -0.314 0.000 2.165 15 Y HA -0.128 4.423 4.550 0.002 0.000 0.286 15 Y C 2.794 178.632 175.900 -0.103 0.000 1.155 15 Y CA 2.266 60.211 58.100 -0.260 0.000 1.164 15 Y CB -0.043 38.275 38.460 -0.237 0.000 0.978 15 Y HN 0.373 nan 8.280 nan 0.000 0.513 16 E N -1.278 118.955 120.200 0.055 0.000 2.077 16 E HA -0.277 4.074 4.350 0.002 0.000 0.193 16 E C 2.052 178.625 176.600 -0.045 0.000 0.989 16 E CA 1.372 57.779 56.400 0.013 0.000 0.800 16 E CB -0.408 29.326 29.700 0.057 0.000 0.746 16 E HN 0.712 nan 8.360 nan 0.000 0.452 17 H N -0.295 118.691 119.070 -0.141 0.000 2.293 17 H HA -0.092 4.465 4.556 0.002 0.000 0.300 17 H C 2.248 177.458 175.328 -0.196 0.000 1.082 17 H CA 1.200 57.158 56.048 -0.151 0.000 1.308 17 H CB -0.117 29.576 29.762 -0.114 0.000 1.375 17 H HN 0.199 nan 8.280 nan 0.000 0.495 18 G N -0.545 108.139 108.800 -0.193 0.000 2.418 18 G HA2 -0.325 3.636 3.960 0.002 0.000 0.217 18 G HA3 -0.325 3.636 3.960 0.002 0.000 0.217 18 G C 1.924 176.648 174.900 -0.294 0.000 1.158 18 G CA 0.898 45.814 45.100 -0.308 0.000 0.771 18 G HN 0.480 nan 8.290 nan 0.000 0.545 19 S N 0.748 116.191 115.700 -0.428 0.000 2.355 19 S HA 0.097 4.568 4.470 0.002 0.000 0.222 19 S C 2.671 177.154 174.600 -0.194 0.000 1.031 19 S CA 1.638 59.608 58.200 -0.384 0.000 0.993 19 S CB -0.458 62.404 63.200 -0.564 0.000 0.859 19 S HN 0.525 nan 8.310 nan 0.000 0.453 20 A N 0.342 123.073 122.820 -0.150 0.000 2.066 20 A HA 0.503 4.824 4.320 0.002 0.000 0.218 20 A C 1.905 179.441 177.584 -0.079 0.000 1.157 20 A CA 1.278 53.255 52.037 -0.101 0.000 0.670 20 A CB -0.602 18.338 19.000 -0.100 0.000 0.804 20 A HN 0.771 nan 8.150 nan 0.000 0.453 21 A N -0.869 121.915 122.820 -0.060 0.000 2.500 21 A HA 0.325 4.646 4.320 0.002 0.000 0.267 21 A C 1.550 179.103 177.584 -0.051 0.000 1.290 21 A CA 0.500 52.518 52.037 -0.032 0.000 0.928 21 A CB -0.286 18.741 19.000 0.046 0.000 1.066 21 A HN 0.452 nan 8.150 nan 0.000 0.516 22 K N 0.554 120.907 120.400 -0.079 0.000 2.015 22 K HA -0.234 4.087 4.320 0.002 0.000 0.216 22 K C 2.018 178.585 176.600 -0.055 0.000 1.052 22 K CA 1.825 58.062 56.287 -0.084 0.000 0.937 22 K CB -0.273 32.173 32.500 -0.089 0.000 0.719 22 K HN 0.427 nan 8.250 nan 0.000 0.446 23 A N 0.430 123.224 122.820 -0.043 0.000 1.930 23 A HA -0.085 4.236 4.320 0.002 0.000 0.217 23 A C 2.217 179.788 177.584 -0.021 0.000 1.175 23 A CA 1.633 53.653 52.037 -0.029 0.000 0.627 23 A CB -0.456 18.529 19.000 -0.025 0.000 0.815 23 A HN 0.215 nan 8.150 nan 0.000 0.443 24 V N 0.103 120.003 119.914 -0.022 0.000 2.358 24 V HA -0.237 3.884 4.120 0.002 0.000 0.246 24 V C 2.356 178.447 176.094 -0.005 0.000 1.047 24 V CA 1.828 64.121 62.300 -0.011 0.000 1.035 24 V CB -0.757 31.056 31.823 -0.016 0.000 0.658 24 V HN 0.559 nan 8.190 nan 0.000 0.452 25 I N 0.751 121.309 120.570 -0.020 0.000 2.286 25 I HA -0.233 3.938 4.170 0.002 0.000 0.248 25 I C 2.684 178.791 176.117 -0.017 0.000 1.115 25 I CA 1.387 62.669 61.300 -0.029 0.000 1.392 25 I CB -0.534 37.420 38.000 -0.077 0.000 1.065 25 I HN 0.289 nan 8.210 nan 0.000 0.418 26 A N 0.919 123.728 122.820 -0.018 0.000 1.940 26 A HA -0.214 4.107 4.320 0.002 0.000 0.219 26 A C 2.396 179.990 177.584 0.016 0.000 1.176 26 A CA 1.522 53.554 52.037 -0.008 0.000 0.631 26 A CB -0.527 18.465 19.000 -0.012 0.000 0.814 26 A HN 0.338 nan 8.150 nan 0.000 0.446 27 R N -0.596 119.919 120.500 0.025 0.000 2.092 27 R HA -0.039 4.302 4.340 0.002 0.000 0.231 27 R C 2.503 178.862 176.300 0.098 0.000 1.119 27 R CA 1.342 57.475 56.100 0.054 0.000 0.970 27 R CB -0.429 29.896 30.300 0.043 0.000 0.864 27 R HN 0.483 nan 8.270 nan 0.000 0.440 28 S N 1.184 116.932 115.700 0.081 0.000 2.370 28 S HA -0.108 4.364 4.470 0.002 0.000 0.226 28 S C 1.984 176.670 174.600 0.143 0.000 1.033 28 S CA 1.150 59.423 58.200 0.122 0.000 1.011 28 S CB -0.149 63.094 63.200 0.071 0.000 0.852 28 S HN 0.202 nan 8.310 nan 0.000 0.457 29 I N 1.535 122.146 120.570 0.069 0.000 2.179 29 I HA -0.197 3.974 4.170 0.002 0.000 0.242 29 I C 2.021 178.159 176.117 0.036 0.000 1.088 29 I CA 1.167 62.488 61.300 0.035 0.000 1.357 29 I CB -0.432 37.567 38.000 -0.002 0.000 1.051 29 I HN 0.170 nan 8.210 nan 0.000 0.409 30 D N 0.621 121.049 120.400 0.047 0.000 2.117 30 D HA -0.227 4.414 4.640 0.002 0.000 0.197 30 D C 1.918 178.239 176.300 0.034 0.000 0.987 30 D CA 1.344 55.361 54.000 0.027 0.000 0.829 30 D CB -0.436 40.384 40.800 0.033 0.000 0.961 30 D HN 0.286 nan 8.370 nan 0.000 0.460 31 F N 1.596 121.539 119.950 -0.011 0.000 2.102 31 F HA -0.136 4.392 4.527 0.002 0.000 0.298 31 F C 2.217 178.009 175.800 -0.015 0.000 1.105 31 F CA 1.697 59.690 58.000 -0.010 0.000 1.239 31 F CB -0.230 38.796 39.000 0.043 0.000 0.991 31 F HN -0.056 nan 8.300 nan 0.000 0.474 32 A N -0.085 122.791 122.820 0.094 0.000 1.902 32 A HA -0.123 4.199 4.320 0.002 0.000 0.217 32 A C 2.284 179.771 177.584 -0.162 0.000 1.181 32 A CA 1.926 53.965 52.037 0.004 0.000 0.623 32 A CB -1.395 17.669 19.000 0.106 0.000 0.818 32 A HN 0.301 nan 8.150 nan 0.000 0.443 33 V N 0.737 120.564 119.914 -0.145 0.000 2.343 33 V HA -0.256 3.865 4.120 0.002 0.000 0.247 33 V C 2.439 178.408 176.094 -0.209 0.000 1.051 33 V CA 2.298 64.497 62.300 -0.169 0.000 1.036 33 V CB -0.685 31.065 31.823 -0.121 0.000 0.654 33 V HN 0.729 nan 8.190 nan 0.000 0.451 34 D N -0.091 120.155 120.400 -0.257 0.000 2.097 34 D HA -0.189 4.452 4.640 0.002 0.000 0.195 34 D C 2.187 178.261 176.300 -0.377 0.000 0.989 34 D CA 1.615 55.435 54.000 -0.298 0.000 0.827 34 D CB 0.127 40.731 40.800 -0.326 0.000 0.966 34 D HN 0.345 nan 8.370 nan 0.000 0.456 35 L N 1.030 121.925 121.223 -0.547 0.000 1.994 35 L HA -0.124 4.217 4.340 0.002 0.000 0.208 35 L C 2.482 179.188 176.870 -0.273 0.000 1.071 35 L CA 1.413 55.952 54.840 -0.501 0.000 0.745 35 L CB -0.644 41.072 42.059 -0.572 0.000 0.892 35 L HN 0.062 nan 8.230 nan 0.000 0.431 36 I N -0.705 119.738 120.570 -0.212 0.000 2.163 36 I HA -0.329 3.842 4.170 0.002 0.000 0.243 36 I C 2.684 178.734 176.117 -0.112 0.000 1.085 36 I CA 1.457 62.676 61.300 -0.135 0.000 1.347 36 I CB -0.359 37.530 38.000 -0.186 0.000 1.044 36 I HN 0.237 nan 8.210 nan 0.000 0.408 37 R N 0.481 120.900 120.500 -0.135 0.000 2.091 37 R HA -0.144 4.198 4.340 0.002 0.000 0.238 37 R C 2.395 178.643 176.300 -0.087 0.000 1.136 37 R CA 1.569 57.610 56.100 -0.098 0.000 0.959 37 R CB -0.748 29.489 30.300 -0.104 0.000 0.856 37 R HN 0.492 nan 8.270 nan 0.000 0.437 38 G N 0.830 109.556 108.800 -0.122 0.000 2.408 38 G HA2 -0.204 3.757 3.960 0.002 0.000 0.217 38 G HA3 -0.204 3.757 3.960 0.002 0.000 0.217 38 G C 1.147 176.003 174.900 -0.073 0.000 1.150 38 G CA 0.350 45.387 45.100 -0.104 0.000 0.776 38 G HN 0.229 nan 8.290 nan 0.000 0.542 39 K N 0.498 120.845 120.400 -0.089 0.000 2.417 39 K HA 0.116 4.437 4.320 0.002 0.000 0.196 39 K C 0.250 176.835 176.600 -0.025 0.000 1.023 39 K CA 0.309 56.556 56.287 -0.067 0.000 1.122 39 K CB 0.439 32.846 32.500 -0.156 0.000 0.850 39 K HN 0.422 nan 8.250 nan 0.000 0.521 40 T N -2.666 111.882 114.554 -0.009 0.000 2.907 40 T HA 0.360 4.711 4.350 0.002 0.000 0.292 40 T C 0.239 174.951 174.700 0.020 0.000 1.043 40 T CA -0.986 61.129 62.100 0.025 0.000 1.003 40 T CB 2.104 71.010 68.868 0.063 0.000 1.084 40 T HN -0.130 nan 8.240 nan 0.000 0.483 41 K N 0.187 120.606 120.400 0.031 0.000 2.373 41 K HA 0.229 4.550 4.320 0.002 0.000 0.202 41 K C 0.014 176.632 176.600 0.030 0.000 1.025 41 K CA -0.375 55.927 56.287 0.025 0.000 1.115 41 K CB 0.307 32.823 32.500 0.026 0.000 0.858 41 K HN 0.322 nan 8.250 nan 0.000 0.525 42 K N 1.867 122.292 120.400 0.042 0.000 2.237 42 K HA 0.050 4.371 4.320 0.002 0.000 0.270 42 K C 0.633 177.255 176.600 0.036 0.000 1.015 42 K CA -0.071 56.244 56.287 0.048 0.000 0.949 42 K CB 0.763 33.309 32.500 0.077 0.000 0.976 42 K HN 0.101 nan 8.250 nan 0.000 0.472 43 T N -1.674 112.899 114.554 0.033 0.000 2.715 43 T HA 0.021 4.372 4.350 0.002 0.000 0.320 43 T C 0.879 175.593 174.700 0.023 0.000 1.046 43 T CA -0.380 61.734 62.100 0.023 0.000 0.983 43 T CB 0.355 69.236 68.868 0.021 0.000 1.183 43 T HN 0.455 nan 8.240 nan 0.000 0.522 44 D N -0.266 120.142 120.400 0.014 0.000 2.123 44 D HA -0.058 4.583 4.640 0.002 0.000 0.200 44 D C 2.074 178.387 176.300 0.021 0.000 0.976 44 D CA 1.184 55.190 54.000 0.009 0.000 0.831 44 D CB -0.235 40.566 40.800 0.001 0.000 0.974 44 D HN 0.797 nan 8.370 nan 0.000 0.469 45 E N 1.026 121.241 120.200 0.026 0.000 2.047 45 E HA -0.140 4.212 4.350 0.002 0.000 0.191 45 E C 1.869 178.498 176.600 0.049 0.000 0.987 45 E CA 1.251 57.671 56.400 0.033 0.000 0.799 45 E CB -0.058 29.659 29.700 0.028 0.000 0.752 45 E HN 0.231 nan 8.360 nan 0.000 0.449 46 E N 0.098 120.329 120.200 0.051 0.000 2.085 46 E HA -0.197 4.154 4.350 0.002 0.000 0.194 46 E C 2.194 178.858 176.600 0.106 0.000 0.994 46 E CA 1.415 57.855 56.400 0.067 0.000 0.801 46 E CB -0.166 29.569 29.700 0.059 0.000 0.743 46 E HN 0.322 nan 8.360 nan 0.000 0.453 47 L N 0.714 122.006 121.223 0.116 0.000 2.093 47 L HA -0.176 4.166 4.340 0.002 0.000 0.208 47 L C 2.585 179.569 176.870 0.189 0.000 1.085 47 L CA 1.069 56.024 54.840 0.192 0.000 0.755 47 L CB -0.272 41.846 42.059 0.099 0.000 0.904 47 L HN 0.047 nan 8.230 nan 0.000 0.435 48 K N -0.456 120.006 120.400 0.103 0.000 2.097 48 K HA -0.206 4.115 4.320 0.002 0.000 0.206 48 K C 2.244 178.912 176.600 0.114 0.000 1.049 48 K CA 1.148 57.488 56.287 0.089 0.000 0.933 48 K CB 0.147 32.679 32.500 0.053 0.000 0.717 48 K HN 0.234 nan 8.250 nan 0.000 0.442 49 Q N 0.176 120.039 119.800 0.104 0.000 2.084 49 Q HA -0.114 4.227 4.340 0.002 0.000 0.202 49 Q C 2.245 178.310 176.000 0.109 0.000 0.978 49 Q CA 1.213 57.070 55.803 0.091 0.000 0.844 49 Q CB -0.398 28.381 28.738 0.068 0.000 0.898 49 Q HN 0.192 nan 8.270 nan 0.000 0.426 50 V N 1.213 121.214 119.914 0.145 0.000 2.343 50 V HA -0.222 3.899 4.120 0.002 0.000 0.247 50 V C 2.317 178.529 176.094 0.196 0.000 1.051 50 V CA 1.343 63.713 62.300 0.117 0.000 1.036 50 V CB -0.645 31.219 31.823 0.068 0.000 0.654 50 V HN 0.201 nan 8.190 nan 0.000 0.451 51 L N 0.029 121.472 121.223 0.366 0.000 2.056 51 L HA -0.107 4.234 4.340 0.002 0.000 0.207 51 L C 2.641 179.643 176.870 0.220 0.000 1.078 51 L CA 2.269 57.341 54.840 0.387 0.000 0.749 51 L CB -0.902 41.332 42.059 0.291 0.000 0.901 51 L HN 0.323 nan 8.230 nan 0.000 0.433 52 S N -1.214 114.581 115.700 0.158 0.000 2.370 52 S HA -0.294 4.178 4.470 0.002 0.000 0.226 52 S C 2.051 176.709 174.600 0.097 0.000 1.033 52 S CA 1.771 60.041 58.200 0.116 0.000 1.011 52 S CB -0.285 62.967 63.200 0.086 0.000 0.852 52 S HN 0.659 nan 8.310 nan 0.000 0.457 53 Q N 0.078 119.929 119.800 0.085 0.000 2.050 53 Q HA -0.088 4.253 4.340 0.002 0.000 0.202 53 Q C 2.237 178.277 176.000 0.067 0.000 0.980 53 Q CA 1.629 57.465 55.803 0.056 0.000 0.840 53 Q CB -0.249 28.512 28.738 0.039 0.000 0.898 53 Q HN 0.569 nan 8.270 nan 0.000 0.424 54 L N -0.157 121.126 121.223 0.100 0.000 2.079 54 L HA -0.152 4.189 4.340 0.002 0.000 0.210 54 L C 2.436 179.407 176.870 0.168 0.000 1.081 54 L CA 1.127 56.046 54.840 0.131 0.000 0.752 54 L CB -0.781 41.369 42.059 0.153 0.000 0.896 54 L HN 0.427 nan 8.230 nan 0.000 0.433 55 G N -0.414 108.493 108.800 0.179 0.000 2.421 55 G HA2 -0.243 3.718 3.960 0.002 0.000 0.216 55 G HA3 -0.243 3.718 3.960 0.002 0.000 0.216 55 G C 1.733 176.627 174.900 -0.010 0.000 1.171 55 G CA 0.446 45.671 45.100 0.209 0.000 0.775 55 G HN 0.249 nan 8.290 nan 0.000 0.543 56 R N -0.321 120.164 120.500 -0.025 0.000 2.091 56 R HA -0.063 4.279 4.340 0.002 0.000 0.238 56 R C 2.712 178.934 176.300 -0.129 0.000 1.136 56 R CA 1.327 57.364 56.100 -0.106 0.000 0.959 56 R CB -0.576 29.694 30.300 -0.049 0.000 0.856 56 R HN 0.315 nan 8.270 nan 0.000 0.437 57 V N 1.286 121.172 119.914 -0.048 0.000 2.295 57 V HA -0.250 3.871 4.120 0.002 0.000 0.246 57 V C 2.250 178.307 176.094 -0.060 0.000 1.049 57 V CA 1.812 64.079 62.300 -0.055 0.000 1.024 57 V CB -0.361 31.486 31.823 0.040 0.000 0.648 57 V HN 0.281 nan 8.190 nan 0.000 0.447 58 I N -0.120 120.525 120.570 0.125 0.000 2.226 58 I HA -0.248 3.923 4.170 0.002 0.000 0.245 58 I C 2.589 178.741 176.117 0.057 0.000 1.100 58 I CA 1.826 63.334 61.300 0.348 0.000 1.374 58 I CB -0.378 37.931 38.000 0.515 0.000 1.057 58 I HN 0.420 nan 8.210 nan 0.000 0.413 59 E N 1.413 121.373 120.200 -0.400 0.000 2.058 59 E HA -0.295 4.056 4.350 0.002 0.000 0.194 59 E C 2.074 178.507 176.600 -0.277 0.000 0.997 59 E CA 1.893 57.896 56.400 -0.662 0.000 0.801 59 E CB -0.009 29.069 29.700 -1.037 0.000 0.746 59 E HN 0.662 nan 8.360 nan 0.000 0.450 60 E N -0.153 119.889 120.200 -0.263 0.000 2.112 60 E HA -0.148 4.203 4.350 0.002 0.000 0.190 60 E C 2.218 178.629 176.600 -0.315 0.000 0.979 60 E CA 0.444 56.704 56.400 -0.234 0.000 0.814 60 E CB -0.144 29.432 29.700 -0.206 0.000 0.762 60 E HN 0.151 nan 8.360 nan 0.000 0.460 61 R N -0.380 119.823 120.500 -0.496 0.000 2.112 61 R HA 0.068 4.409 4.340 0.002 0.000 0.216 61 R C 0.345 176.042 176.300 -1.005 0.000 1.080 61 R CA 0.721 56.244 56.100 -0.963 0.000 0.996 61 R CB 0.300 29.540 30.300 -1.767 0.000 0.902 61 R HN 0.295 nan 8.270 nan 0.000 0.449 62 W N 0.862 122.159 121.300 -0.004 0.000 2.104 62 W HA 0.306 4.967 4.660 0.002 0.000 0.291 62 W C -2.425 174.084 176.519 -0.015 0.000 0.936 62 W CA -2.260 55.057 57.345 -0.046 0.000 1.856 62 W CB 0.706 30.218 29.460 0.086 0.000 2.036 62 W HN -0.038 nan 8.180 nan 0.000 0.393 63 P HA -0.198 nan 4.420 nan 0.000 0.216 63 P C 1.562 178.954 177.300 0.153 0.000 1.150 63 P CA 2.211 65.376 63.100 0.109 0.000 0.843 63 P CB 0.476 32.193 31.700 0.028 0.000 0.787 64 K N -1.704 118.720 120.400 0.040 0.000 2.097 64 K HA -0.139 4.182 4.320 0.002 0.000 0.205 64 K C 2.184 178.892 176.600 0.180 0.000 1.050 64 K CA 1.285 57.600 56.287 0.046 0.000 0.938 64 K CB -0.519 31.933 32.500 -0.080 0.000 0.718 64 K HN 0.157 nan 8.250 nan 0.000 0.442 65 Y N -0.711 119.723 120.300 0.223 0.000 2.242 65 Y HA -0.185 4.366 4.550 0.002 0.000 0.291 65 Y C 2.195 178.231 175.900 0.228 0.000 1.137 65 Y CA 0.354 58.571 58.100 0.196 0.000 1.181 65 Y CB -0.932 37.637 38.460 0.183 0.000 0.989 65 Y HN 0.098 nan 8.280 nan 0.000 0.527 66 Y N 1.145 121.625 120.300 0.300 0.000 2.224 66 Y HA -0.178 4.373 4.550 0.002 0.000 0.289 66 Y C 2.268 178.282 175.900 0.190 0.000 1.146 66 Y CA 1.485 59.717 58.100 0.219 0.000 1.182 66 Y CB -0.070 38.501 38.460 0.185 0.000 0.983 66 Y HN 0.042 nan 8.280 nan 0.000 0.524 67 E N 0.208 120.564 120.200 0.261 0.000 2.077 67 E HA -0.264 4.087 4.350 0.002 0.000 0.193 67 E C 2.106 178.799 176.600 0.155 0.000 0.989 67 E CA 1.468 58.005 56.400 0.227 0.000 0.800 67 E CB -0.205 29.644 29.700 0.248 0.000 0.746 67 E HN 0.669 nan 8.360 nan 0.000 0.452 68 E N 0.490 120.772 120.200 0.136 0.000 2.072 68 E HA -0.143 4.208 4.350 0.002 0.000 0.191 68 E C 2.250 178.816 176.600 -0.056 0.000 0.985 68 E CA 0.615 57.052 56.400 0.062 0.000 0.801 68 E CB -0.054 29.734 29.700 0.147 0.000 0.750 68 E HN 0.177 nan 8.360 nan 0.000 0.452 69 I N 0.637 121.174 120.570 -0.054 0.000 2.208 69 I HA -0.295 3.876 4.170 0.002 0.000 0.245 69 I C 2.654 178.634 176.117 -0.230 0.000 1.097 69 I CA 1.132 62.342 61.300 -0.150 0.000 1.363 69 I CB -0.203 37.712 38.000 -0.141 0.000 1.051 69 I HN 0.092 nan 8.210 nan 0.000 0.413 70 R N 0.410 120.760 120.500 -0.251 0.000 2.091 70 R HA -0.141 4.200 4.340 0.002 0.000 0.238 70 R C 2.392 178.562 176.300 -0.217 0.000 1.136 70 R CA 1.517 57.534 56.100 -0.137 0.000 0.959 70 R CB -0.748 29.601 30.300 0.081 0.000 0.856 70 R HN 0.473 nan 8.270 nan 0.000 0.437 71 G N 1.126 109.604 108.800 -0.537 0.000 2.418 71 G HA2 -0.218 3.743 3.960 0.002 0.000 0.217 71 G HA3 -0.218 3.743 3.960 0.002 0.000 0.217 71 G C 1.456 176.065 174.900 -0.485 0.000 1.158 71 G CA 0.525 44.989 45.100 -1.059 0.000 0.771 71 G HN 0.158 nan 8.290 nan 0.000 0.545 72 I N 1.455 121.816 120.570 -0.348 0.000 2.163 72 I HA -0.207 3.964 4.170 0.002 0.000 0.243 72 I C 3.309 179.265 176.117 -0.269 0.000 1.085 72 I CA 1.044 62.142 61.300 -0.338 0.000 1.347 72 I CB -0.233 37.537 38.000 -0.383 0.000 1.044 72 I HN 0.244 nan 8.210 nan 0.000 0.408 73 A N 0.685 123.382 122.820 -0.204 0.000 1.908 73 A HA -0.290 4.031 4.320 0.002 0.000 0.218 73 A C 2.277 179.811 177.584 -0.083 0.000 1.181 73 A CA 2.209 54.171 52.037 -0.126 0.000 0.627 73 A CB -0.503 18.445 19.000 -0.087 0.000 0.818 73 A HN 0.275 nan 8.150 nan 0.000 0.445 74 K N -0.204 120.164 120.400 -0.052 0.000 2.026 74 K HA -0.044 4.277 4.320 0.002 0.000 0.208 74 K C 1.951 178.558 176.600 0.013 0.000 1.048 74 K CA 1.874 58.206 56.287 0.075 0.000 0.929 74 K CB -1.019 31.639 32.500 0.263 0.000 0.713 74 K HN 0.303 nan 8.250 nan 0.000 0.439 75 G N -0.420 108.249 108.800 -0.219 0.000 2.422 75 G HA2 -0.192 3.770 3.960 0.002 0.000 0.218 75 G HA3 -0.192 3.770 3.960 0.002 0.000 0.218 75 G C 1.448 176.146 174.900 -0.337 0.000 1.146 75 G CA 0.856 45.579 45.100 -0.630 0.000 0.769 75 G HN 0.439 nan 8.290 nan 0.000 0.547 76 A N -0.177 122.501 122.820 -0.235 0.000 2.251 76 A HA 0.364 4.685 4.320 0.002 0.000 0.209 76 A C 0.897 178.423 177.584 -0.097 0.000 1.187 76 A CA 0.879 52.819 52.037 -0.161 0.000 0.823 76 A CB -0.240 18.663 19.000 -0.161 0.000 0.846 76 A HN 0.459 nan 8.150 nan 0.000 0.486 77 E N -0.458 119.699 120.200 -0.072 0.000 2.320 77 E HA -0.186 4.165 4.350 0.002 0.000 0.234 77 E C -0.464 176.119 176.600 -0.029 0.000 1.183 77 E CA 0.379 56.762 56.400 -0.029 0.000 0.713 77 E CB -0.851 28.838 29.700 -0.019 0.000 1.226 77 E HN 0.491 nan 8.360 nan 0.000 0.382 78 R N 0.400 120.877 120.500 -0.038 0.000 2.919 78 R HA 0.380 4.721 4.340 0.002 0.000 0.260 78 R C -0.217 176.070 176.300 -0.022 0.000 1.067 78 R CA -0.944 55.136 56.100 -0.034 0.000 1.003 78 R CB 0.669 30.938 30.300 -0.051 0.000 1.192 78 R HN -0.039 nan 8.270 nan 0.000 0.488 79 D N 0.501 120.893 120.400 -0.014 0.000 2.345 79 D HA 0.025 4.666 4.640 0.002 0.000 0.247 79 D C 1.439 177.735 176.300 -0.008 0.000 1.108 79 D CA -0.151 53.849 54.000 0.000 0.000 0.894 79 D CB 1.374 42.179 40.800 0.009 0.000 1.203 79 D HN 0.056 nan 8.370 nan 0.000 0.430 80 V N 2.404 122.318 119.914 0.001 0.000 2.324 80 V HA -0.320 3.801 4.120 0.002 0.000 0.250 80 V C 2.512 178.617 176.094 0.017 0.000 1.060 80 V CA 2.500 64.788 62.300 -0.019 0.000 1.042 80 V CB -0.706 31.107 31.823 -0.016 0.000 0.650 80 V HN 0.693 nan 8.190 nan 0.000 0.450 81 S N -0.096 115.636 115.700 0.053 0.000 2.383 81 S HA -0.293 4.178 4.470 0.002 0.000 0.229 81 S C 1.768 176.391 174.600 0.038 0.000 1.030 81 S CA 1.876 60.120 58.200 0.073 0.000 1.002 81 S CB -0.559 62.683 63.200 0.071 0.000 0.829 81 S HN 0.757 nan 8.310 nan 0.000 0.467 82 E N 0.713 120.916 120.200 0.005 0.000 2.106 82 E HA -0.044 4.307 4.350 0.002 0.000 0.192 82 E C 1.969 178.557 176.600 -0.019 0.000 0.984 82 E CA 1.128 57.517 56.400 -0.019 0.000 0.806 82 E CB -0.203 29.480 29.700 -0.028 0.000 0.750 82 E HN 0.487 nan 8.360 nan 0.000 0.458 83 I N 0.730 121.284 120.570 -0.027 0.000 2.353 83 I HA -0.162 4.009 4.170 0.002 0.000 0.248 83 I C 2.415 178.537 176.117 0.007 0.000 1.119 83 I CA 0.786 62.061 61.300 -0.043 0.000 1.417 83 I CB -1.065 36.878 38.000 -0.096 0.000 1.078 83 I HN -0.015 nan 8.210 nan 0.000 0.421 84 V N 0.865 120.812 119.914 0.055 0.000 2.332 84 V HA -0.309 3.812 4.120 0.002 0.000 0.248 84 V C 2.660 178.847 176.094 0.156 0.000 1.055 84 V CA 1.751 64.135 62.300 0.139 0.000 1.038 84 V CB -0.610 31.342 31.823 0.215 0.000 0.651 84 V HN 0.417 nan 8.190 nan 0.000 0.450 85 M N -0.533 119.131 119.600 0.107 0.000 2.080 85 M HA -0.193 4.288 4.480 0.002 0.000 0.260 85 M C 2.180 178.522 176.300 0.071 0.000 1.068 85 M CA 2.107 57.443 55.300 0.061 0.000 1.109 85 M CB -0.567 31.975 32.600 -0.097 0.000 1.342 85 M HN 0.301 nan 8.290 nan 0.000 0.405 86 L N 0.137 121.380 121.223 0.033 0.000 2.012 86 L HA -0.275 4.066 4.340 0.002 0.000 0.210 86 L C 1.978 178.843 176.870 -0.009 0.000 1.073 86 L CA 1.341 56.193 54.840 0.020 0.000 0.748 86 L CB -1.006 41.047 42.059 -0.010 0.000 0.891 86 L HN 0.403 nan 8.230 nan 0.000 0.431 87 N N -0.489 118.219 118.700 0.014 0.000 2.521 87 N HA -0.063 4.678 4.740 0.002 0.000 0.188 87 N C 0.948 176.516 175.510 0.097 0.000 1.146 87 N CA 1.410 54.460 53.050 -0.001 0.000 0.893 87 N CB 0.197 38.699 38.487 0.025 0.000 0.975 87 N HN 0.463 nan 8.380 nan 0.000 0.451 88 T N -3.424 111.243 114.554 0.190 0.000 3.393 88 T HA 0.258 4.609 4.350 0.002 0.000 0.298 88 T C 1.207 176.152 174.700 0.408 0.000 1.004 88 T CA -0.567 61.708 62.100 0.293 0.000 0.956 88 T CB 0.631 69.685 68.868 0.310 0.000 1.182 88 T HN -0.041 nan 8.240 nan 0.000 0.497 89 R N 1.498 122.188 120.500 0.317 0.000 2.081 89 R HA -0.103 4.238 4.340 0.002 0.000 0.235 89 R C 1.843 178.407 176.300 0.439 0.000 1.131 89 R CA 2.082 58.393 56.100 0.353 0.000 0.960 89 R CB -0.750 29.711 30.300 0.269 0.000 0.856 89 R HN 0.388 nan 8.270 nan 0.000 0.436 90 T N 0.723 115.568 114.554 0.486 0.000 2.746 90 T HA -0.123 4.228 4.350 0.002 0.000 0.267 90 T C 1.418 176.378 174.700 0.434 0.000 1.039 90 T CA 1.658 64.091 62.100 0.555 0.000 1.142 90 T CB -0.190 68.995 68.868 0.528 0.000 0.866 90 T HN 0.331 nan 8.240 nan 0.000 0.444 91 E N 0.560 120.951 120.200 0.318 0.000 2.085 91 E HA -0.036 4.315 4.350 0.002 0.000 0.194 91 E C 1.739 178.390 176.600 0.086 0.000 0.994 91 E CA 1.052 57.549 56.400 0.162 0.000 0.801 91 E CB -0.449 29.283 29.700 0.054 0.000 0.743 91 E HN 0.494 nan 8.360 nan 0.000 0.453 92 F N 0.129 120.164 119.950 0.142 0.000 2.098 92 F HA -0.020 4.508 4.527 0.002 0.000 0.294 92 F C 2.306 178.115 175.800 0.015 0.000 1.107 92 F CA 1.235 59.282 58.000 0.077 0.000 1.234 92 F CB -0.644 38.392 39.000 0.060 0.000 1.002 92 F HN 0.031 nan 8.300 nan 0.000 0.472 93 A N -1.742 121.182 122.820 0.172 0.000 2.014 93 A HA -0.113 4.208 4.320 0.002 0.000 0.218 93 A C 1.381 178.696 177.584 -0.448 0.000 1.163 93 A CA 1.538 53.439 52.037 -0.227 0.000 0.652 93 A CB -0.743 17.997 19.000 -0.433 0.000 0.808 93 A HN 0.499 nan 8.150 nan 0.000 0.449 94 Y N -2.105 118.334 120.300 0.232 0.000 2.585 94 Y HA 0.265 4.816 4.550 0.002 0.000 0.272 94 Y C 2.520 178.513 175.900 0.155 0.000 1.119 94 Y CA -0.197 58.025 58.100 0.204 0.000 1.255 94 Y CB -0.534 38.059 38.460 0.221 0.000 1.284 94 Y HN 0.215 nan 8.280 nan 0.000 0.499 95 G N 0.193 109.150 108.800 0.262 0.000 2.421 95 G HA2 -0.104 3.857 3.960 0.002 0.000 0.217 95 G HA3 -0.104 3.857 3.960 0.002 0.000 0.217 95 G C 1.165 176.133 174.900 0.112 0.000 1.143 95 G CA 0.649 45.847 45.100 0.165 0.000 0.784 95 G HN 0.300 nan 8.290 nan 0.000 0.541 96 L N 0.161 121.442 121.223 0.097 0.000 2.872 96 L HA 0.296 4.637 4.340 0.002 0.000 0.245 96 L C 1.225 178.145 176.870 0.084 0.000 1.211 96 L CA -0.357 54.528 54.840 0.075 0.000 1.013 96 L CB 0.184 42.280 42.059 0.061 0.000 1.326 96 L HN 0.080 nan 8.230 nan 0.000 0.525 105 T N 2.153 116.876 114.554 0.281 0.000 2.893 105 T HA 0.892 5.243 4.350 0.002 0.000 0.293 105 T C -0.951 173.993 174.700 0.405 0.000 1.027 105 T CA -0.655 61.650 62.100 0.340 0.000 0.988 105 T CB 1.841 70.886 68.868 0.294 0.000 1.043 105 T HN 1.013 nan 8.240 nan 0.000 0.461 106 A N 2.280 125.419 122.820 0.532 0.000 2.549 106 A HA 0.784 5.105 4.320 0.002 0.000 0.297 106 A C -2.197 175.720 177.584 0.555 0.000 1.061 106 A CA -0.712 51.600 52.037 0.458 0.000 0.690 106 A CB 1.500 20.692 19.000 0.321 0.000 1.287 106 A HN 0.807 nan 8.150 nan 0.000 0.402 107 Y N 0.400 120.891 120.300 0.318 0.000 2.425 107 Y HA 0.596 5.147 4.550 0.002 0.000 0.344 107 Y C -0.940 175.090 175.900 0.217 0.000 0.969 107 Y CA -0.923 57.342 58.100 0.276 0.000 1.052 107 Y CB 1.939 40.522 38.460 0.206 0.000 1.215 107 Y HN 0.801 nan 8.280 nan 0.000 0.451 108 C N 5.951 125.181 119.300 -0.117 0.000 2.346 108 C HA 0.372 4.833 4.460 0.002 0.000 0.326 108 C C -0.494 174.384 174.990 -0.186 0.000 1.224 108 C CA -0.804 58.219 59.018 0.008 0.000 1.408 108 C CB 0.641 28.460 27.740 0.132 0.000 2.089 108 C HN 0.807 nan 8.230 nan 0.000 0.456 109 Q N 2.695 122.528 119.800 0.054 0.000 2.332 109 Q HA 0.702 5.043 4.340 0.002 0.000 0.263 109 Q C -1.161 174.852 176.000 0.021 0.000 0.979 109 Q CA 0.758 56.597 55.803 0.059 0.000 0.885 109 Q CB 0.389 29.233 28.738 0.176 0.000 1.218 109 Q HN 0.718 nan 8.270 nan 0.000 0.405 110 L N 5.709 126.928 121.223 -0.006 0.000 2.466 110 L HA 0.435 4.776 4.340 0.002 0.000 0.258 110 L C -1.782 175.084 176.870 -0.008 0.000 0.973 110 L CA -1.892 52.938 54.840 -0.017 0.000 0.826 110 L CB 2.514 44.548 42.059 -0.043 0.000 1.372 110 L HN 0.600 nan 8.230 nan 0.000 0.409 111 P HA -0.103 nan 4.420 nan 0.000 0.223 111 P C 0.304 177.604 177.300 0.000 0.000 1.151 111 P CA 1.168 64.266 63.100 -0.003 0.000 0.787 111 P CB 0.042 31.734 31.700 -0.013 0.000 0.788 112 N N -0.155 118.540 118.700 -0.009 0.000 2.273 112 N HA 0.242 4.984 4.740 0.002 0.000 0.231 112 N C 0.265 175.780 175.510 0.009 0.000 1.134 112 N CA 0.017 53.067 53.050 -0.000 0.000 0.856 112 N CB 0.083 38.564 38.487 -0.011 0.000 1.068 112 N HN 0.091 nan 8.380 nan 0.000 0.510 113 G N -0.493 108.315 108.800 0.013 0.000 3.226 113 G HA2 0.330 4.291 3.960 0.002 0.000 0.685 113 G HA3 0.330 4.291 3.960 0.002 0.000 0.685 113 G C -0.527 174.372 174.900 -0.001 0.000 1.207 113 G CA -0.577 44.542 45.100 0.031 0.000 0.877 113 G HN 0.524 nan 8.290 nan 0.000 0.585 114 A N 1.772 124.594 122.820 0.003 0.000 2.466 114 A HA 0.700 5.021 4.320 0.002 0.000 0.238 114 A C 0.595 178.112 177.584 -0.111 0.000 1.074 114 A CA 0.370 52.334 52.037 -0.122 0.000 0.774 114 A CB 0.362 19.217 19.000 -0.242 0.000 1.015 114 A HN 1.425 nan 8.150 nan 0.000 0.498 115 L N 0.950 121.955 121.223 -0.363 0.000 2.362 115 L HA 0.621 4.962 4.340 0.002 0.000 0.271 115 L C -0.027 176.548 176.870 -0.490 0.000 1.002 115 L CA -0.364 54.140 54.840 -0.561 0.000 0.818 115 L CB 1.953 43.310 42.059 -1.170 0.000 1.298 115 L HN 0.927 nan 8.230 nan 0.000 0.420 116 Q N 1.322 121.041 119.800 -0.136 0.000 2.379 116 Q HA 0.776 5.117 4.340 0.002 0.000 0.278 116 Q C -1.353 174.921 176.000 0.457 0.000 1.068 116 Q CA -0.581 55.422 55.803 0.335 0.000 0.816 116 Q CB 3.105 32.178 28.738 0.560 0.000 1.387 116 Q HN 0.799 nan 8.270 nan 0.000 0.413 117 G N 1.464 110.545 108.800 0.469 0.000 2.506 117 G HA2 0.465 4.427 3.960 0.002 0.000 0.292 117 G HA3 0.465 4.427 3.960 0.002 0.000 0.292 117 G C -2.133 172.536 174.900 -0.384 0.000 1.425 117 G CA -0.446 44.608 45.100 -0.078 0.000 0.788 117 G HN 0.715 nan 8.290 nan 0.000 0.490 118 Q N -0.601 118.694 119.800 -0.843 0.000 2.482 118 Q HA 0.555 4.896 4.340 0.002 0.000 0.286 118 Q C -1.772 173.700 176.000 -0.880 0.000 1.007 118 Q CA -1.078 54.254 55.803 -0.785 0.000 0.801 118 Q CB 1.676 30.287 28.738 -0.211 0.000 1.455 118 Q HN 0.360 nan 8.270 nan 0.000 0.398 119 N N 0.958 119.360 118.700 -0.497 0.000 2.456 119 N HA 0.330 5.071 4.740 0.002 0.000 0.288 119 N C -1.861 173.528 175.510 -0.201 0.000 1.059 119 N CA -0.160 52.717 53.050 -0.288 0.000 0.946 119 N CB 0.797 39.265 38.487 -0.031 0.000 1.150 119 N HN 0.605 nan 8.380 nan 0.000 0.479 120 W N 2.743 123.706 121.300 -0.561 0.000 2.314 120 W HA 0.328 4.989 4.660 0.002 0.000 0.310 120 W C -1.108 175.296 176.519 -0.192 0.000 1.075 120 W CA -0.593 56.491 57.345 -0.434 0.000 1.253 120 W CB 0.595 29.595 29.460 -0.767 0.000 1.238 120 W HN 0.357 nan 8.180 nan 0.000 0.440 121 D N 6.458 126.559 120.400 -0.498 0.000 2.278 121 D HA 0.500 5.141 4.640 0.002 0.000 0.245 121 D C -0.983 174.996 176.300 -0.534 0.000 1.052 121 D CA 0.000 53.760 54.000 -0.401 0.000 0.834 121 D CB 1.750 42.423 40.800 -0.212 0.000 1.194 121 D HN 0.184 nan 8.370 nan 0.000 0.481 122 F N 0.433 119.962 119.950 -0.701 0.000 3.122 122 F HA 0.343 4.871 4.527 0.002 0.000 0.325 122 F C -1.353 174.193 175.800 -0.423 0.000 1.162 122 F CA -1.421 56.168 58.000 -0.685 0.000 0.876 122 F CB 0.550 38.937 39.000 -1.023 0.000 1.429 122 F HN 0.094 nan 8.300 nan 0.000 0.484 123 F N 2.048 121.598 119.950 -0.667 0.000 2.572 123 F HA 0.131 4.660 4.527 0.002 0.000 0.370 123 F C 1.641 177.316 175.800 -0.208 0.000 1.103 123 F CA 0.769 58.543 58.000 -0.377 0.000 1.286 123 F CB 0.269 39.069 39.000 -0.333 0.000 1.105 123 F HN 0.332 nan 8.300 nan 0.000 0.583 124 S N 2.116 117.827 115.700 0.018 0.000 2.400 124 S HA -0.241 4.231 4.470 0.002 0.000 0.232 124 S C 2.233 176.830 174.600 -0.006 0.000 1.025 124 S CA 1.144 59.330 58.200 -0.025 0.000 0.993 124 S CB -0.351 62.778 63.200 -0.120 0.000 0.808 124 S HN 0.774 nan 8.310 nan 0.000 0.478 125 A N 1.406 124.229 122.820 0.004 0.000 2.070 125 A HA -0.110 4.211 4.320 0.002 0.000 0.220 125 A C 2.308 179.842 177.584 -0.084 0.000 1.159 125 A CA 1.865 53.897 52.037 -0.008 0.000 0.656 125 A CB -1.008 18.048 19.000 0.093 0.000 0.800 125 A HN 0.640 nan 8.150 nan 0.000 0.453 126 T N -3.042 111.424 114.554 -0.145 0.000 3.081 126 T HA 0.059 4.410 4.350 0.002 0.000 0.255 126 T C 1.653 176.427 174.700 0.124 0.000 1.113 126 T CA 1.077 63.130 62.100 -0.078 0.000 1.082 126 T CB -0.098 68.781 68.868 0.017 0.000 0.939 126 T HN 0.493 nan 8.240 nan 0.000 0.506 127 K N 1.926 122.406 120.400 0.134 0.000 2.057 127 K HA -0.172 4.149 4.320 0.002 0.000 0.207 127 K C 2.335 178.996 176.600 0.101 0.000 1.049 127 K CA 1.775 58.166 56.287 0.172 0.000 0.931 127 K CB -0.160 32.423 32.500 0.138 0.000 0.714 127 K HN 0.743 nan 8.250 nan 0.000 0.440 128 E N -0.482 119.752 120.200 0.057 0.000 2.409 128 E HA -0.142 4.209 4.350 0.002 0.000 0.198 128 E C 0.690 177.301 176.600 0.019 0.000 1.024 128 E CA 0.898 57.317 56.400 0.030 0.000 0.861 128 E CB -0.009 29.702 29.700 0.019 0.000 0.788 128 E HN 0.250 nan 8.360 nan 0.000 0.521 129 N N 0.519 119.236 118.700 0.028 0.000 2.236 129 N HA 0.160 4.901 4.740 0.002 0.000 0.196 129 N C -0.178 175.325 175.510 -0.011 0.000 1.114 129 N CA 0.078 53.136 53.050 0.012 0.000 0.859 129 N CB 0.419 38.919 38.487 0.023 0.000 0.982 129 N HN 0.189 nan 8.380 nan 0.000 0.493 130 L N 2.022 123.238 121.223 -0.011 0.000 2.410 130 L HA 0.317 4.658 4.340 0.002 0.000 0.273 130 L C 0.543 177.334 176.870 -0.131 0.000 1.152 130 L CA -0.185 54.598 54.840 -0.096 0.000 0.855 130 L CB 0.322 42.321 42.059 -0.101 0.000 1.129 130 L HN 0.077 nan 8.230 nan 0.000 0.463 131 I N 0.542 120.991 120.570 -0.201 0.000 3.145 131 I HA 0.663 4.834 4.170 0.002 0.000 0.313 131 I C -0.750 175.180 176.117 -0.311 0.000 1.122 131 I CA -1.148 60.019 61.300 -0.222 0.000 0.987 131 I CB 2.304 40.181 38.000 -0.206 0.000 1.236 131 I HN 0.531 nan 8.210 nan 0.000 0.453 132 R N 3.214 123.546 120.500 -0.280 0.000 2.494 132 R HA 0.757 5.098 4.340 0.002 0.000 0.305 132 R C -1.917 174.244 176.300 -0.232 0.000 0.959 132 R CA -0.599 55.328 56.100 -0.289 0.000 0.864 132 R CB 1.517 31.652 30.300 -0.273 0.000 1.159 132 R HN 0.783 nan 8.270 nan 0.000 0.446 133 L N 2.884 123.875 121.223 -0.386 0.000 2.346 133 L HA 0.500 4.842 4.340 0.002 0.000 0.274 133 L C -0.444 176.420 176.870 -0.010 0.000 1.007 133 L CA -0.906 53.762 54.840 -0.286 0.000 0.818 133 L CB 2.525 44.218 42.059 -0.611 0.000 1.284 133 L HN 0.671 nan 8.230 nan 0.000 0.424 134 T N 3.705 118.341 114.554 0.137 0.000 2.779 134 T HA 0.594 4.945 4.350 0.002 0.000 0.280 134 T C -0.221 174.573 174.700 0.156 0.000 0.987 134 T CA -0.238 61.988 62.100 0.209 0.000 0.966 134 T CB 1.051 70.094 68.868 0.291 0.000 0.933 134 T HN 0.268 nan 8.240 nan 0.000 0.442 135 I N 3.668 124.365 120.570 0.211 0.000 2.382 135 I HA 0.412 4.583 4.170 0.002 0.000 0.286 135 I C 0.241 176.443 176.117 0.141 0.000 1.002 135 I CA -0.755 60.647 61.300 0.170 0.000 1.135 135 I CB 1.445 39.571 38.000 0.210 0.000 1.288 135 I HN 0.315 nan 8.210 nan 0.000 0.448 136 R N 5.589 126.154 120.500 0.108 0.000 2.265 136 R HA 0.443 4.784 4.340 0.002 0.000 0.328 136 R C -0.683 175.661 176.300 0.073 0.000 0.969 136 R CA -0.489 55.662 56.100 0.086 0.000 0.832 136 R CB 1.768 32.113 30.300 0.076 0.000 1.139 136 R HN 0.555 nan 8.270 nan 0.000 0.457 137 Q N 2.075 121.912 119.800 0.063 0.000 2.292 137 Q HA 0.420 4.761 4.340 0.002 0.000 0.270 137 Q C -1.149 174.874 176.000 0.038 0.000 1.024 137 Q CA -0.627 55.210 55.803 0.057 0.000 0.768 137 Q CB 2.075 30.855 28.738 0.070 0.000 1.250 137 Q HN 0.784 nan 8.270 nan 0.000 0.447 138 A N 2.305 125.145 122.820 0.033 0.000 2.561 138 A HA 0.394 4.715 4.320 0.002 0.000 0.251 138 A C 1.207 178.799 177.584 0.014 0.000 1.062 138 A CA 1.221 53.270 52.037 0.021 0.000 0.761 138 A CB -0.724 18.289 19.000 0.021 0.000 0.986 138 A HN 1.403 nan 8.150 nan 0.000 0.510 139 G N 1.248 110.050 108.800 0.004 0.000 2.176 139 G HA2 -0.196 3.766 3.960 0.002 0.000 0.253 139 G HA3 -0.196 3.766 3.960 0.002 0.000 0.253 139 G C 0.032 174.928 174.900 -0.007 0.000 0.979 139 G CA 0.425 45.523 45.100 -0.003 0.000 0.641 139 G HN 0.842 nan 8.290 nan 0.000 0.530 140 L N 0.521 121.742 121.223 -0.002 0.000 2.322 140 L HA 0.539 4.880 4.340 0.002 0.000 0.269 140 L C -2.161 174.692 176.870 -0.029 0.000 1.012 140 L CA -2.609 52.226 54.840 -0.008 0.000 0.815 140 L CB 1.900 43.968 42.059 0.014 0.000 1.295 140 L HN -0.194 nan 8.230 nan 0.000 0.438 141 P HA 0.017 nan 4.420 nan 0.000 0.266 141 P C -0.638 176.619 177.300 -0.072 0.000 1.195 141 P CA 0.027 63.063 63.100 -0.107 0.000 0.768 141 P CB 0.374 31.997 31.700 -0.129 0.000 0.838 142 T N 4.003 118.498 114.554 -0.098 0.000 2.851 142 T HA 0.302 4.653 4.350 0.002 0.000 0.298 142 T C 0.550 175.320 174.700 0.116 0.000 0.977 142 T CA 0.153 62.275 62.100 0.036 0.000 1.126 142 T CB -0.215 68.713 68.868 0.099 0.000 0.916 142 T HN 0.171 nan 8.240 nan 0.000 0.529 143 I N 3.333 124.025 120.570 0.203 0.000 2.412 143 I HA 0.433 4.604 4.170 0.002 0.000 0.296 143 I C 0.256 176.624 176.117 0.419 0.000 0.987 143 I CA -0.747 60.712 61.300 0.264 0.000 1.180 143 I CB 1.478 39.561 38.000 0.139 0.000 1.340 143 I HN 0.325 nan 8.210 nan 0.000 0.455 144 K N 6.825 127.520 120.400 0.492 0.000 2.502 144 K HA 0.578 4.899 4.320 0.002 0.000 0.254 144 K C -1.337 175.581 176.600 0.529 0.000 0.947 144 K CA -0.508 56.029 56.287 0.416 0.000 0.834 144 K CB 1.838 34.471 32.500 0.221 0.000 1.112 144 K HN 0.490 nan 8.250 nan 0.000 0.427 145 F N 0.686 120.695 119.950 0.099 0.000 2.662 145 F HA 0.603 5.131 4.527 0.002 0.000 0.312 145 F C -1.491 174.270 175.800 -0.064 0.000 1.113 145 F CA -1.510 56.519 58.000 0.048 0.000 0.951 145 F CB 0.801 39.830 39.000 0.048 0.000 1.344 145 F HN 0.064 nan 8.300 nan 0.000 0.462 146 I N 1.880 122.375 120.570 -0.126 0.000 2.377 146 I HA 0.588 4.759 4.170 0.002 0.000 0.293 146 I C -0.011 175.888 176.117 -0.364 0.000 0.987 146 I CA -0.204 60.855 61.300 -0.402 0.000 1.185 146 I CB 0.908 38.493 38.000 -0.692 0.000 1.341 146 I HN 0.879 nan 8.210 nan 0.000 0.455 147 T N 4.795 119.088 114.554 -0.435 0.000 2.864 147 T HA 0.394 4.746 4.350 0.002 0.000 0.299 147 T C -0.721 173.831 174.700 -0.248 0.000 1.166 147 T CA -0.573 61.355 62.100 -0.285 0.000 1.007 147 T CB 1.550 70.286 68.868 -0.220 0.000 1.219 147 T HN 0.564 nan 8.240 nan 0.000 0.506 148 E N 1.389 121.495 120.200 -0.157 0.000 2.338 148 E HA 0.524 4.876 4.350 0.002 0.000 0.272 148 E C -0.000 176.586 176.600 -0.023 0.000 1.029 148 E CA -0.568 55.793 56.400 -0.066 0.000 0.872 148 E CB 1.016 30.724 29.700 0.014 0.000 1.015 148 E HN 0.744 nan 8.360 nan 0.000 0.417 149 A N 2.423 125.243 122.820 0.001 0.000 2.567 149 A HA 0.332 4.653 4.320 0.002 0.000 0.240 149 A C 1.293 178.932 177.584 0.091 0.000 1.053 149 A CA 0.858 52.947 52.037 0.088 0.000 0.755 149 A CB -0.462 18.564 19.000 0.043 0.000 0.978 149 A HN 0.870 nan 8.150 nan 0.000 0.507 150 G N 1.451 110.345 108.800 0.155 0.000 2.213 150 G HA2 -0.191 3.770 3.960 0.002 0.000 0.226 150 G HA3 -0.191 3.770 3.960 0.002 0.000 0.226 150 G C 0.115 174.977 174.900 -0.063 0.000 0.992 150 G CA 0.129 45.129 45.100 -0.167 0.000 0.632 150 G HN 0.830 nan 8.290 nan 0.000 0.511 151 I N 2.069 122.689 120.570 0.082 0.000 2.359 151 I HA 0.416 4.587 4.170 0.002 0.000 0.294 151 I C 1.800 178.030 176.117 0.189 0.000 0.987 151 I CA -0.708 60.621 61.300 0.048 0.000 1.225 151 I CB 1.416 39.379 38.000 -0.063 0.000 1.366 151 I HN 0.254 nan 8.210 nan 0.000 0.466 152 I N 2.091 122.736 120.570 0.123 0.000 3.578 152 I HA 0.399 4.570 4.170 0.002 0.000 0.295 152 I C 0.651 176.811 176.117 0.072 0.000 1.280 152 I CA 0.118 61.514 61.300 0.160 0.000 1.347 152 I CB 0.129 38.141 38.000 0.020 0.000 1.051 152 I HN 0.514 nan 8.210 nan 0.000 0.460 153 G N 0.875 109.701 108.800 0.043 0.000 2.741 153 G HA2 0.547 4.508 3.960 0.002 0.000 0.293 153 G HA3 0.547 4.508 3.960 0.002 0.000 0.293 153 G C -1.122 173.781 174.900 0.006 0.000 1.457 153 G CA -0.441 44.550 45.100 -0.183 0.000 1.098 153 G HN 0.108 nan 8.290 nan 0.000 0.536 154 K N 0.776 121.174 120.400 -0.002 0.000 1.801 154 K HA 0.654 4.975 4.320 0.002 0.000 0.309 154 K C -1.079 175.544 176.600 0.037 0.000 0.932 154 K CA -0.161 56.155 56.287 0.047 0.000 0.487 154 K CB 0.704 33.287 32.500 0.139 0.000 3.409 154 K HN 0.417 nan 8.250 nan 0.000 1.215 155 V N 1.336 121.353 119.914 0.172 0.000 2.378 155 V HA 0.827 4.948 4.120 0.002 0.000 0.288 155 V C 0.062 176.342 176.094 0.310 0.000 1.016 155 V CA 0.261 62.688 62.300 0.212 0.000 0.840 155 V CB 0.591 32.567 31.823 0.255 0.000 0.994 155 V HN 0.831 nan 8.190 nan 0.000 0.431 156 G N 4.308 113.312 108.800 0.339 0.000 2.364 156 G HA2 0.619 4.580 3.960 0.002 0.000 0.286 156 G HA3 0.619 4.580 3.960 0.002 0.000 0.286 156 G C -1.628 173.519 174.900 0.412 0.000 1.241 156 G CA -0.137 45.229 45.100 0.444 0.000 0.887 156 G HN 0.873 nan 8.290 nan 0.000 0.484 157 F N -0.067 120.015 119.950 0.220 0.000 2.715 157 F HA 0.889 5.417 4.527 0.002 0.000 0.318 157 F C -0.969 174.989 175.800 0.263 0.000 1.141 157 F CA -2.342 55.727 58.000 0.116 0.000 0.950 157 F CB 0.919 39.941 39.000 0.037 0.000 1.374 157 F HN 0.839 nan 8.300 nan 0.000 0.477 158 N N -1.285 117.443 118.700 0.046 0.000 2.577 158 N HA 0.382 5.123 4.740 0.002 0.000 0.285 158 N C 0.055 175.089 175.510 -0.793 0.000 1.309 158 N CA -0.171 52.771 53.050 -0.181 0.000 0.798 158 N CB 1.060 39.475 38.487 -0.119 0.000 1.463 158 N HN 0.647 nan 8.380 nan 0.000 0.518 159 S N -1.977 113.027 115.700 -1.160 0.000 2.507 159 S HA -0.002 4.469 4.470 0.002 0.000 0.235 159 S C 1.428 175.627 174.600 -0.667 0.000 0.988 159 S CA 0.503 57.809 58.200 -1.489 0.000 0.944 159 S CB -0.722 61.839 63.200 -1.066 0.000 0.762 159 S HN 0.780 nan 8.310 nan 0.000 0.526 160 A N 0.715 123.292 122.820 -0.406 0.000 2.251 160 A HA 0.583 4.905 4.320 0.002 0.000 0.209 160 A C 1.761 179.261 177.584 -0.139 0.000 1.187 160 A CA 0.482 52.389 52.037 -0.216 0.000 0.823 160 A CB -0.926 17.990 19.000 -0.141 0.000 0.846 160 A HN 1.445 nan 8.150 nan 0.000 0.486 161 G N -1.665 107.038 108.800 -0.161 0.000 2.175 161 G HA2 -0.194 3.767 3.960 0.002 0.000 0.244 161 G HA3 -0.194 3.767 3.960 0.002 0.000 0.244 161 G C 0.169 175.125 174.900 0.093 0.000 0.982 161 G CA 0.042 45.150 45.100 0.012 0.000 0.641 161 G HN 0.730 nan 8.290 nan 0.000 0.527 162 V N 1.300 121.225 119.914 0.019 0.000 2.508 162 V HA 0.594 4.715 4.120 0.002 0.000 0.281 162 V C 0.790 176.907 176.094 0.039 0.000 1.041 162 V CA 0.479 62.799 62.300 0.033 0.000 1.016 162 V CB 1.167 32.990 31.823 -0.000 0.000 0.984 162 V HN 1.215 nan 8.190 nan 0.000 0.478 163 A N 5.412 128.217 122.820 -0.024 0.000 2.355 163 A HA 0.845 5.166 4.320 0.002 0.000 0.317 163 A C -0.880 176.546 177.584 -0.263 0.000 1.094 163 A CA -0.526 51.301 52.037 -0.351 0.000 0.764 163 A CB 1.677 20.129 19.000 -0.913 0.000 1.230 163 A HN 0.615 nan 8.150 nan 0.000 0.448 164 V N 2.861 122.661 119.914 -0.189 0.000 2.540 164 V HA 0.438 4.559 4.120 0.002 0.000 0.302 164 V C -0.294 175.871 176.094 0.118 0.000 1.035 164 V CA -0.631 61.644 62.300 -0.042 0.000 0.873 164 V CB 1.751 33.543 31.823 -0.051 0.000 0.992 164 V HN 1.033 nan 8.190 nan 0.000 0.428 165 N N 1.987 120.755 118.700 0.114 0.000 2.380 165 N HA 0.718 5.459 4.740 0.002 0.000 0.290 165 N C -1.863 173.764 175.510 0.195 0.000 1.236 165 N CA -0.652 52.515 53.050 0.196 0.000 0.780 165 N CB 2.359 40.988 38.487 0.238 0.000 1.438 165 N HN 0.694 nan 8.380 nan 0.000 0.491 166 Y N 0.711 121.059 120.300 0.079 0.000 2.396 166 Y HA 0.502 5.054 4.550 0.002 0.000 0.332 166 Y C -1.840 174.156 175.900 0.160 0.000 1.034 166 Y CA -0.839 57.297 58.100 0.061 0.000 1.057 166 Y CB 1.064 39.529 38.460 0.009 0.000 1.220 166 Y HN 0.572 nan 8.280 nan 0.000 0.440 167 N N 3.303 121.837 118.700 -0.278 0.000 2.238 167 N HA 0.724 5.466 4.740 0.002 0.000 0.302 167 N C -1.124 174.052 175.510 -0.556 0.000 1.072 167 N CA -0.617 52.279 53.050 -0.256 0.000 0.792 167 N CB 2.066 40.544 38.487 -0.013 0.000 1.425 167 N HN 0.744 nan 8.380 nan 0.000 0.478 168 A N 1.199 123.745 122.820 -0.456 0.000 2.498 168 A HA 0.472 4.793 4.320 0.002 0.000 0.239 168 A C -0.529 176.745 177.584 -0.516 0.000 1.068 168 A CA 0.300 52.029 52.037 -0.512 0.000 0.766 168 A CB -0.169 18.590 19.000 -0.403 0.000 1.003 168 A HN 0.620 nan 8.150 nan 0.000 0.497 169 L N 1.191 122.026 121.223 -0.647 0.000 2.434 169 L HA 0.561 4.902 4.340 0.002 0.000 0.260 169 L C -0.602 175.898 176.870 -0.618 0.000 0.983 169 L CA -0.231 54.289 54.840 -0.534 0.000 0.820 169 L CB 2.089 43.940 42.059 -0.346 0.000 1.361 169 L HN 0.777 nan 8.230 nan 0.000 0.410 170 H N 3.815 122.826 119.070 -0.098 0.000 2.502 170 H HA 0.446 5.003 4.556 0.002 0.000 0.268 170 H C -0.711 174.609 175.328 -0.012 0.000 1.177 170 H CA -0.396 55.631 56.048 -0.036 0.000 0.961 170 H CB 0.055 29.814 29.762 -0.004 0.000 1.737 170 H HN 0.241 nan 8.280 nan 0.000 0.569 171 L N 0.973 122.201 121.223 0.009 0.000 2.417 171 L HA 0.159 4.500 4.340 0.002 0.000 0.268 171 L C 0.680 177.586 176.870 0.060 0.000 1.158 171 L CA -0.194 54.651 54.840 0.007 0.000 0.819 171 L CB 0.956 42.974 42.059 -0.068 0.000 1.112 171 L HN 0.395 nan 8.230 nan 0.000 0.458 172 Q N 1.259 121.099 119.800 0.067 0.000 2.299 172 Q HA 0.549 4.890 4.340 0.002 0.000 0.246 172 Q C -0.306 175.744 176.000 0.083 0.000 0.935 172 Q CA 0.147 56.001 55.803 0.085 0.000 0.887 172 Q CB 1.394 30.177 28.738 0.075 0.000 1.223 172 Q HN 0.805 nan 8.270 nan 0.000 0.439 173 G N 1.651 110.506 108.800 0.091 0.000 2.379 173 G HA2 0.225 4.187 3.960 0.002 0.000 0.609 173 G HA3 0.225 4.187 3.960 0.002 0.000 0.609 173 G C -2.398 172.556 174.900 0.090 0.000 1.484 173 G CA -0.745 44.406 45.100 0.085 0.000 0.921 173 G HN 0.651 nan 8.290 nan 0.000 0.658 174 L N 0.762 122.027 121.223 0.071 0.000 2.476 174 L HA 0.892 5.233 4.340 0.002 0.000 0.269 174 L C -0.210 176.688 176.870 0.047 0.000 0.965 174 L CA -0.766 54.109 54.840 0.059 0.000 0.845 174 L CB 1.955 44.033 42.059 0.031 0.000 1.259 174 L HN 0.796 nan 8.230 nan 0.000 0.403 175 R N 6.007 126.540 120.500 0.054 0.000 2.358 175 R HA 0.519 4.860 4.340 0.002 0.000 0.309 175 R C -2.152 174.175 176.300 0.045 0.000 1.026 175 R CA -1.505 54.623 56.100 0.047 0.000 0.909 175 R CB 1.502 31.836 30.300 0.057 0.000 1.153 175 R HN 0.406 nan 8.270 nan 0.000 0.515 176 P HA -0.092 nan 4.420 nan 0.000 0.222 176 P C 0.739 178.073 177.300 0.057 0.000 1.147 176 P CA 1.164 64.276 63.100 0.021 0.000 0.790 176 P CB 0.329 32.028 31.700 -0.003 0.000 0.780 177 T N -4.458 110.126 114.554 0.050 0.000 3.129 177 T HA 0.212 4.563 4.350 0.002 0.000 0.251 177 T C 1.169 175.931 174.700 0.103 0.000 1.117 177 T CA 0.010 62.141 62.100 0.051 0.000 1.034 177 T CB -0.745 68.129 68.868 0.010 0.000 0.968 177 T HN -0.000 nan 8.240 nan 0.000 0.526 178 G N 0.920 109.794 108.800 0.124 0.000 2.653 178 G HA2 0.425 4.387 3.960 0.002 0.000 0.265 178 G HA3 0.425 4.387 3.960 0.002 0.000 0.265 178 G C -0.481 174.585 174.900 0.277 0.000 1.237 178 G CA -0.558 44.637 45.100 0.158 0.000 0.946 178 G HN 0.347 nan 8.290 nan 0.000 0.522 179 V N 1.794 121.834 119.914 0.211 0.000 2.455 179 V HA 0.331 4.452 4.120 0.002 0.000 0.273 179 V C -1.854 174.209 176.094 -0.052 0.000 1.045 179 V CA -1.691 60.653 62.300 0.072 0.000 0.976 179 V CB 1.208 32.997 31.823 -0.057 0.000 0.993 179 V HN 0.494 nan 8.190 nan 0.000 0.475 180 P HA 0.182 nan 4.420 nan 0.000 0.269 180 P C 0.734 178.005 177.300 -0.049 0.000 1.209 180 P CA 0.122 63.223 63.100 0.002 0.000 0.776 180 P CB 0.770 32.488 31.700 0.030 0.000 0.876 181 S N 1.138 116.879 115.700 0.069 0.000 2.383 181 S HA -0.220 4.251 4.470 0.002 0.000 0.229 181 S C 1.405 175.873 174.600 -0.220 0.000 1.030 181 S CA 1.636 59.855 58.200 0.033 0.000 1.002 181 S CB -1.060 62.280 63.200 0.233 0.000 0.829 181 S HN 0.632 nan 8.310 nan 0.000 0.467 182 H N 0.569 119.559 119.070 -0.134 0.000 2.462 182 H HA 0.142 4.699 4.556 0.002 0.000 0.292 182 H C 1.900 177.049 175.328 -0.299 0.000 1.049 182 H CA 0.903 56.810 56.048 -0.234 0.000 1.334 182 H CB -0.065 29.602 29.762 -0.158 0.000 1.404 182 H HN 0.239 nan 8.280 nan 0.000 0.544 183 I N 0.590 121.021 120.570 -0.232 0.000 2.202 183 I HA -0.178 3.993 4.170 0.002 0.000 0.242 183 I C 2.562 178.415 176.117 -0.439 0.000 1.091 183 I CA 1.204 62.227 61.300 -0.462 0.000 1.368 183 I CB -1.378 36.239 38.000 -0.637 0.000 1.058 183 I HN 0.269 nan 8.210 nan 0.000 0.410 184 A N 0.996 123.606 122.820 -0.349 0.000 1.948 184 A HA -0.192 4.129 4.320 0.002 0.000 0.220 184 A C 2.418 179.859 177.584 -0.239 0.000 1.177 184 A CA 1.489 53.359 52.037 -0.279 0.000 0.636 184 A CB -0.867 17.968 19.000 -0.276 0.000 0.815 184 A HN 0.420 nan 8.150 nan 0.000 0.449 185 L N -1.493 119.566 121.223 -0.274 0.000 2.056 185 L HA -0.156 4.185 4.340 0.002 0.000 0.207 185 L C 2.744 179.436 176.870 -0.297 0.000 1.078 185 L CA 1.602 56.279 54.840 -0.272 0.000 0.749 185 L CB -0.396 41.455 42.059 -0.347 0.000 0.901 185 L HN 0.357 nan 8.230 nan 0.000 0.433 186 R N 0.918 121.196 120.500 -0.370 0.000 2.096 186 R HA -0.114 4.227 4.340 0.002 0.000 0.235 186 R C 2.052 178.201 176.300 -0.252 0.000 1.127 186 R CA 1.529 57.377 56.100 -0.420 0.000 0.968 186 R CB -0.607 29.305 30.300 -0.647 0.000 0.861 186 R HN 0.261 nan 8.270 nan 0.000 0.440 187 I N 0.261 120.716 120.570 -0.192 0.000 2.163 187 I HA -0.292 3.879 4.170 0.002 0.000 0.243 187 I C 2.287 178.375 176.117 -0.048 0.000 1.085 187 I CA 1.544 62.820 61.300 -0.040 0.000 1.347 187 I CB -0.478 37.495 38.000 -0.046 0.000 1.044 187 I HN 0.307 nan 8.210 nan 0.000 0.408 188 A N 0.737 123.508 122.820 -0.081 0.000 1.902 188 A HA -0.152 4.169 4.320 0.002 0.000 0.217 188 A C 2.252 179.796 177.584 -0.065 0.000 1.181 188 A CA 1.363 53.373 52.037 -0.045 0.000 0.623 188 A CB -0.869 18.101 19.000 -0.051 0.000 0.818 188 A HN 0.412 nan 8.150 nan 0.000 0.443 189 L N -0.802 120.344 121.223 -0.128 0.000 2.362 189 L HA -0.127 4.214 4.340 0.002 0.000 0.219 189 L C 1.948 178.762 176.870 -0.092 0.000 1.134 189 L CA 1.065 55.820 54.840 -0.143 0.000 0.807 189 L CB -0.290 41.590 42.059 -0.299 0.000 0.927 189 L HN 0.466 nan 8.230 nan 0.000 0.447 190 E N -1.177 118.988 120.200 -0.059 0.000 2.474 190 E HA 0.093 4.444 4.350 0.002 0.000 0.195 190 E C 0.414 177.007 176.600 -0.011 0.000 1.039 190 E CA -0.253 56.138 56.400 -0.016 0.000 0.881 190 E CB 0.544 30.268 29.700 0.039 0.000 0.970 190 E HN 0.274 nan 8.360 nan 0.000 0.486 191 S N 0.230 115.923 115.700 -0.013 0.000 2.617 191 S HA 0.072 4.543 4.470 0.002 0.000 0.269 191 S C 1.222 175.815 174.600 -0.013 0.000 1.292 191 S CA -0.278 57.922 58.200 -0.000 0.000 1.010 191 S CB 1.381 64.595 63.200 0.023 0.000 0.944 191 S HN 0.292 nan 8.310 nan 0.000 0.536 192 T N -2.034 112.515 114.554 -0.009 0.000 3.040 192 T HA 0.276 4.627 4.350 0.002 0.000 0.250 192 T C 0.437 175.132 174.700 -0.007 0.000 1.058 192 T CA 0.166 62.252 62.100 -0.023 0.000 0.988 192 T CB -0.226 68.625 68.868 -0.029 0.000 0.993 192 T HN 0.614 nan 8.240 nan 0.000 0.519 193 S N -0.359 115.354 115.700 0.021 0.000 2.588 193 S HA 0.554 5.025 4.470 0.002 0.000 0.269 193 S C -2.894 171.762 174.600 0.094 0.000 1.157 193 S CA -1.197 57.030 58.200 0.046 0.000 0.824 193 S CB 1.669 64.894 63.200 0.041 0.000 1.126 193 S HN -0.169 nan 8.310 nan 0.000 0.464 194 P HA -0.107 nan 4.420 nan 0.000 0.216 194 P C 1.889 179.377 177.300 0.314 0.000 1.153 194 P CA 2.109 65.369 63.100 0.267 0.000 0.848 194 P CB -0.107 31.722 31.700 0.215 0.000 0.787 195 S N -0.465 115.322 115.700 0.146 0.000 2.370 195 S HA -0.282 4.189 4.470 0.002 0.000 0.226 195 S C 2.227 176.865 174.600 0.063 0.000 1.033 195 S CA 1.368 59.595 58.200 0.044 0.000 1.011 195 S CB -1.392 61.821 63.200 0.021 0.000 0.852 195 S HN 0.155 nan 8.310 nan 0.000 0.457 196 Q N 1.068 120.910 119.800 0.069 0.000 2.124 196 Q HA -0.036 4.305 4.340 0.002 0.000 0.202 196 Q C 2.321 178.359 176.000 0.063 0.000 0.977 196 Q CA 1.348 57.181 55.803 0.050 0.000 0.850 196 Q CB -0.594 28.163 28.738 0.033 0.000 0.901 196 Q HN 0.752 nan 8.270 nan 0.000 0.429 197 A N 0.033 122.929 122.820 0.126 0.000 1.902 197 A HA -0.228 4.093 4.320 0.002 0.000 0.217 197 A C 1.880 179.550 177.584 0.144 0.000 1.181 197 A CA 1.452 53.582 52.037 0.155 0.000 0.623 197 A CB -1.083 18.057 19.000 0.234 0.000 0.818 197 A HN 0.687 nan 8.150 nan 0.000 0.443 198 Y N 1.271 121.531 120.300 -0.067 0.000 2.128 198 Y HA -0.260 4.291 4.550 0.002 0.000 0.284 198 Y C 1.899 177.665 175.900 -0.222 0.000 1.154 198 Y CA 2.197 60.041 58.100 -0.426 0.000 1.149 198 Y CB -0.260 37.557 38.460 -1.070 0.000 0.976 198 Y HN 0.360 nan 8.280 nan 0.000 0.505 199 D N -0.119 120.222 120.400 -0.098 0.000 2.097 199 D HA -0.160 4.481 4.640 0.002 0.000 0.195 199 D C 2.267 178.470 176.300 -0.161 0.000 0.989 199 D CA 1.622 55.542 54.000 -0.133 0.000 0.827 199 D CB -0.329 40.462 40.800 -0.015 0.000 0.966 199 D HN 0.388 nan 8.370 nan 0.000 0.456 200 R N -0.061 120.384 120.500 -0.091 0.000 2.115 200 R HA 0.045 4.386 4.340 0.002 0.000 0.230 200 R C 2.472 178.720 176.300 -0.088 0.000 1.111 200 R CA 0.453 56.518 56.100 -0.058 0.000 0.976 200 R CB -0.116 30.176 30.300 -0.013 0.000 0.870 200 R HN 0.243 nan 8.270 nan 0.000 0.445 201 I N -0.106 120.376 120.570 -0.148 0.000 2.202 201 I HA -0.239 3.933 4.170 0.002 0.000 0.242 201 I C 2.121 178.094 176.117 -0.240 0.000 1.091 201 I CA 1.065 62.251 61.300 -0.190 0.000 1.368 201 I CB -0.169 37.712 38.000 -0.199 0.000 1.058 201 I HN -0.048 nan 8.210 nan 0.000 0.410 202 V N 0.662 120.352 119.914 -0.374 0.000 2.490 202 V HA -0.273 3.848 4.120 0.002 0.000 0.250 202 V C 2.233 178.218 176.094 -0.182 0.000 1.061 202 V CA 1.764 63.856 62.300 -0.346 0.000 1.064 202 V CB -0.672 30.823 31.823 -0.547 0.000 0.670 202 V HN 0.432 nan 8.190 nan 0.000 0.461 203 E N -0.440 119.675 120.200 -0.141 0.000 2.265 203 E HA -0.210 4.141 4.350 0.002 0.000 0.196 203 E C 2.191 178.779 176.600 -0.020 0.000 0.996 203 E CA 0.689 57.049 56.400 -0.066 0.000 0.832 203 E CB -0.057 29.617 29.700 -0.043 0.000 0.756 203 E HN 0.572 nan 8.360 nan 0.000 0.491 204 Q N -0.804 118.995 119.800 -0.001 0.000 2.437 204 Q HA -0.048 4.293 4.340 0.002 0.000 0.210 204 Q C 1.487 177.515 176.000 0.047 0.000 0.972 204 Q CA 1.075 56.928 55.803 0.084 0.000 0.903 204 Q CB 0.230 29.063 28.738 0.158 0.000 0.967 204 Q HN 0.438 nan 8.270 nan 0.000 0.486 205 G N -0.244 108.550 108.800 -0.009 0.000 2.143 205 G HA2 -0.138 3.823 3.960 0.002 0.000 0.249 205 G HA3 -0.138 3.823 3.960 0.002 0.000 0.249 205 G C 0.402 175.301 174.900 -0.002 0.000 0.981 205 G CA 0.497 45.590 45.100 -0.010 0.000 0.665 205 G HN 0.850 nan 8.290 nan 0.000 0.528 206 G N -1.271 107.523 108.800 -0.010 0.000 2.307 206 G HA2 0.505 4.466 3.960 0.002 0.000 0.348 206 G HA3 0.505 4.466 3.960 0.002 0.000 0.348 206 G C -0.515 174.380 174.900 -0.009 0.000 1.603 206 G CA -0.212 44.884 45.100 -0.007 0.000 0.961 206 G HN 0.724 nan 8.290 nan 0.000 0.686 207 M N 1.426 121.006 119.600 -0.033 0.000 2.288 207 M HA 0.573 5.054 4.480 0.002 0.000 0.334 207 M C 1.597 177.934 176.300 0.062 0.000 1.150 207 M CA -0.165 55.103 55.300 -0.054 0.000 1.118 207 M CB 0.916 33.431 32.600 -0.141 0.000 1.501 207 M HN 1.132 nan 8.290 nan 0.000 0.462 208 A N 1.366 124.235 122.820 0.082 0.000 1.970 208 A HA 0.414 4.735 4.320 0.002 0.000 0.216 208 A C 1.154 178.820 177.584 0.136 0.000 1.170 208 A CA 1.703 53.805 52.037 0.108 0.000 0.645 208 A CB -0.060 19.005 19.000 0.109 0.000 0.816 208 A HN 0.913 nan 8.150 nan 0.000 0.447 209 A N -2.056 120.887 122.820 0.205 0.000 4.729 209 A HA 0.704 5.025 4.320 0.002 0.000 0.170 209 A C -0.179 177.587 177.584 0.304 0.000 0.741 209 A CA 0.431 52.599 52.037 0.220 0.000 0.936 209 A CB -0.022 19.101 19.000 0.205 0.000 1.982 209 A HN 0.679 nan 8.150 nan 0.000 0.938 210 S N -1.371 114.449 115.700 0.201 0.000 2.536 210 S HA 0.809 5.280 4.470 0.002 0.000 0.287 210 S C -0.573 173.876 174.600 -0.252 0.000 1.101 210 S CA 0.439 58.628 58.200 -0.019 0.000 0.950 210 S CB 1.351 64.519 63.200 -0.053 0.000 1.056 210 S HN 2.327 nan 8.310 nan 0.000 0.481 211 A N 2.674 124.985 122.820 -0.848 0.000 2.438 211 A HA 0.747 5.068 4.320 0.002 0.000 0.301 211 A C -2.156 174.833 177.584 -0.990 0.000 1.101 211 A CA -0.676 50.912 52.037 -0.748 0.000 0.621 211 A CB 0.408 19.256 19.000 -0.253 0.000 1.350 211 A HN 1.210 nan 8.150 nan 0.000 0.496 212 F N 0.185 119.706 119.950 -0.716 0.000 2.540 212 F HA 0.839 5.367 4.527 0.002 0.000 0.317 212 F C -1.131 174.542 175.800 -0.212 0.000 1.104 212 F CA -0.794 56.895 58.000 -0.519 0.000 0.913 212 F CB 1.285 39.886 39.000 -0.665 0.000 1.170 212 F HN 0.488 nan 8.300 nan 0.000 0.450 213 I N 6.959 126.979 120.570 -0.917 0.000 2.545 213 I HA 0.426 4.597 4.170 0.002 0.000 0.292 213 I C -0.890 174.571 176.117 -1.094 0.000 1.040 213 I CA -0.785 60.160 61.300 -0.590 0.000 1.068 213 I CB 2.147 40.091 38.000 -0.093 0.000 1.251 213 I HN 0.658 nan 8.210 nan 0.000 0.424 214 M N 6.735 125.942 119.600 -0.656 0.000 2.383 214 M HA 0.651 5.132 4.480 0.002 0.000 0.325 214 M C -1.865 174.160 176.300 -0.457 0.000 1.092 214 M CA -0.599 54.390 55.300 -0.519 0.000 0.961 214 M CB 1.832 34.401 32.600 -0.052 0.000 1.672 214 M HN 0.328 nan 8.290 nan 0.000 0.438 215 V N 3.768 123.221 119.914 -0.768 0.000 2.588 215 V HA 0.919 5.040 4.120 0.002 0.000 0.304 215 V C 0.066 175.942 176.094 -0.363 0.000 1.042 215 V CA -0.565 61.422 62.300 -0.522 0.000 0.877 215 V CB 1.647 33.152 31.823 -0.530 0.000 0.996 215 V HN 1.010 nan 8.190 nan 0.000 0.425 216 G N 3.208 111.933 108.800 -0.126 0.000 2.690 216 G HA2 0.736 4.697 3.960 0.002 0.000 0.293 216 G HA3 0.736 4.697 3.960 0.002 0.000 0.293 216 G C -1.310 173.586 174.900 -0.006 0.000 1.399 216 G CA -0.600 44.456 45.100 -0.073 0.000 0.890 216 G HN 0.769 nan 8.290 nan 0.000 0.485 217 N N -1.697 116.923 118.700 -0.134 0.000 3.439 217 N HA 0.524 5.265 4.740 0.002 0.000 0.343 217 N C 1.367 176.581 175.510 -0.493 0.000 1.597 217 N CA 0.074 52.971 53.050 -0.255 0.000 0.733 217 N CB 0.330 38.816 38.487 -0.002 0.000 1.973 217 N HN 0.686 nan 8.380 nan 0.000 0.646 218 G N -1.653 107.037 108.800 -0.182 0.000 2.471 218 G HA2 -0.231 3.730 3.960 0.002 0.000 0.219 218 G HA3 -0.231 3.730 3.960 0.002 0.000 0.219 218 G C 1.033 175.985 174.900 0.087 0.000 1.125 218 G CA 0.851 45.932 45.100 -0.031 0.000 0.775 218 G HN 0.782 nan 8.290 nan 0.000 0.548 219 H N 0.539 119.606 119.070 -0.005 0.000 2.476 219 H HA 0.170 4.728 4.556 0.002 0.000 0.292 219 H C 0.385 175.726 175.328 0.021 0.000 1.019 219 H CA 1.089 57.148 56.048 0.018 0.000 1.330 219 H CB 0.666 30.430 29.762 0.004 0.000 1.451 219 H HN 0.530 nan 8.280 nan 0.000 0.535 220 E N 0.065 120.202 120.200 -0.105 0.000 2.412 220 E HA 0.642 4.993 4.350 0.002 0.000 0.279 220 E C -1.801 174.621 176.600 -0.297 0.000 0.984 220 E CA -1.152 55.115 56.400 -0.222 0.000 0.788 220 E CB 2.309 31.922 29.700 -0.145 0.000 1.277 220 E HN 0.184 nan 8.360 nan 0.000 0.455 221 A N 1.222 123.792 122.820 -0.418 0.000 2.572 221 A HA 0.788 5.109 4.320 0.002 0.000 0.295 221 A C -1.573 175.918 177.584 -0.156 0.000 1.072 221 A CA -0.811 50.945 52.037 -0.469 0.000 0.691 221 A CB 1.054 19.383 19.000 -1.118 0.000 1.291 221 A HN 0.740 nan 8.150 nan 0.000 0.404 222 F N -0.315 119.521 119.950 -0.191 0.000 2.599 222 F HA 0.886 5.414 4.527 0.002 0.000 0.311 222 F C 0.110 175.875 175.800 -0.057 0.000 1.076 222 F CA -0.602 57.328 58.000 -0.117 0.000 0.937 222 F CB 1.342 40.261 39.000 -0.134 0.000 1.282 222 F HN 0.855 nan 8.300 nan 0.000 0.460 223 G N 1.458 110.328 108.800 0.115 0.000 2.454 223 G HA2 0.663 4.624 3.960 0.002 0.000 0.329 223 G HA3 0.663 4.624 3.960 0.002 0.000 0.329 223 G C -2.393 172.635 174.900 0.213 0.000 1.177 223 G CA -1.021 44.081 45.100 0.004 0.000 0.951 223 G HN 0.779 nan 8.290 nan 0.000 0.485 224 L N 0.515 121.672 121.223 -0.110 0.000 2.446 224 L HA 0.436 4.777 4.340 0.002 0.000 0.268 224 L C -0.407 176.574 176.870 0.185 0.000 0.975 224 L CA -0.442 54.529 54.840 0.219 0.000 0.848 224 L CB 1.837 44.122 42.059 0.376 0.000 1.225 224 L HN 0.587 nan 8.230 nan 0.000 0.410 225 E N 5.007 125.408 120.200 0.334 0.000 2.134 225 E HA 0.551 4.902 4.350 0.002 0.000 0.278 225 E C -1.359 175.446 176.600 0.342 0.000 0.959 225 E CA -0.367 56.197 56.400 0.273 0.000 0.783 225 E CB 1.338 31.281 29.700 0.406 0.000 1.095 225 E HN 0.398 nan 8.360 nan 0.000 0.399 226 F N 0.114 120.167 119.950 0.172 0.000 2.613 226 F HA 0.728 5.256 4.527 0.002 0.000 0.314 226 F C -0.325 175.526 175.800 0.086 0.000 1.075 226 F CA -1.023 57.063 58.000 0.144 0.000 0.945 226 F CB 1.234 40.289 39.000 0.093 0.000 1.310 226 F HN 0.315 nan 8.300 nan 0.000 0.467 227 S N -0.380 115.530 115.700 0.351 0.000 2.806 227 S HA 0.649 5.120 4.470 0.002 0.000 0.306 227 S C -2.732 172.013 174.600 0.242 0.000 1.167 227 S CA -1.616 56.733 58.200 0.248 0.000 0.847 227 S CB 1.711 64.987 63.200 0.127 0.000 1.216 227 S HN 0.371 nan 8.310 nan 0.000 0.532 228 P HA 0.037 nan 4.420 nan 0.000 0.225 228 P C 0.803 178.168 177.300 0.107 0.000 1.148 228 P CA 1.433 64.608 63.100 0.125 0.000 0.779 228 P CB -0.155 31.605 31.700 0.100 0.000 0.780 229 T N -6.564 108.060 114.554 0.118 0.000 3.200 229 T HA 0.371 4.722 4.350 0.002 0.000 0.284 229 T C 0.199 174.977 174.700 0.132 0.000 1.009 229 T CA -0.371 61.791 62.100 0.104 0.000 0.907 229 T CB -0.180 68.740 68.868 0.088 0.000 1.120 229 T HN -0.111 nan 8.240 nan 0.000 0.534 230 S N 0.625 116.429 115.700 0.174 0.000 2.563 230 S HA 0.653 5.124 4.470 0.002 0.000 0.279 230 S C -1.834 172.925 174.600 0.264 0.000 1.155 230 S CA -0.775 57.561 58.200 0.228 0.000 0.928 230 S CB 0.814 64.227 63.200 0.355 0.000 1.107 230 S HN 0.419 nan 8.310 nan 0.000 0.462 231 I N 5.018 125.710 120.570 0.203 0.000 2.503 231 I HA 0.500 4.671 4.170 0.002 0.000 0.282 231 I C -0.456 175.765 176.117 0.173 0.000 1.059 231 I CA -0.661 60.770 61.300 0.219 0.000 1.081 231 I CB 1.452 39.522 38.000 0.116 0.000 1.210 231 I HN 0.339 nan 8.210 nan 0.000 0.450 232 R N 4.623 125.233 120.500 0.183 0.000 2.562 232 R HA 0.479 4.821 4.340 0.002 0.000 0.298 232 R C -0.692 175.701 176.300 0.156 0.000 0.961 232 R CA -0.909 55.231 56.100 0.065 0.000 0.881 232 R CB 2.770 32.942 30.300 -0.212 0.000 1.159 232 R HN 0.493 nan 8.270 nan 0.000 0.450 233 K N 2.106 122.578 120.400 0.119 0.000 2.211 233 K HA 0.152 4.473 4.320 0.002 0.000 0.275 233 K C -0.585 176.084 176.600 0.115 0.000 1.024 233 K CA -0.305 56.063 56.287 0.135 0.000 0.887 233 K CB 1.330 33.812 32.500 -0.030 0.000 1.084 233 K HN 0.447 nan 8.250 nan 0.000 0.463 234 Q N 3.442 123.361 119.800 0.198 0.000 2.243 234 Q HA 0.332 4.673 4.340 0.002 0.000 0.252 234 Q C -0.739 175.343 176.000 0.136 0.000 0.909 234 Q CA -0.810 55.102 55.803 0.181 0.000 0.922 234 Q CB 1.331 30.242 28.738 0.288 0.000 1.215 234 Q HN 0.530 nan 8.270 nan 0.000 0.427 235 V N 1.061 121.023 119.914 0.081 0.000 3.113 235 V HA 0.553 4.675 4.120 0.002 0.000 0.316 235 V C -0.198 175.921 176.094 0.042 0.000 1.125 235 V CA -1.240 61.084 62.300 0.039 0.000 1.026 235 V CB 1.256 33.078 31.823 -0.002 0.000 1.080 235 V HN 0.785 nan 8.190 nan 0.000 0.444 236 L N 2.581 123.812 121.223 0.013 0.000 2.514 236 L HA 0.228 4.569 4.340 0.002 0.000 0.280 236 L C 0.594 177.494 176.870 0.050 0.000 1.223 236 L CA 0.009 54.873 54.840 0.040 0.000 0.864 236 L CB 0.035 42.109 42.059 0.026 0.000 1.118 236 L HN 1.024 nan 8.230 nan 0.000 0.494 237 D N 2.041 122.483 120.400 0.071 0.000 2.447 237 D HA 0.175 4.816 4.640 0.002 0.000 0.265 237 D C 0.921 177.252 176.300 0.052 0.000 1.250 237 D CA -0.060 53.977 54.000 0.061 0.000 1.046 237 D CB 0.694 41.536 40.800 0.070 0.000 1.095 237 D HN 0.487 nan 8.370 nan 0.000 0.555 238 A N -0.420 122.427 122.820 0.045 0.000 2.070 238 A HA -0.175 4.146 4.320 0.002 0.000 0.220 238 A C 1.466 179.074 177.584 0.040 0.000 1.159 238 A CA 1.014 53.073 52.037 0.037 0.000 0.656 238 A CB -0.694 18.325 19.000 0.032 0.000 0.800 238 A HN 0.540 nan 8.150 nan 0.000 0.453 239 N N -0.760 117.970 118.700 0.051 0.000 2.268 239 N HA 0.171 4.912 4.740 0.002 0.000 0.204 239 N C 0.968 176.524 175.510 0.076 0.000 1.124 239 N CA 0.854 53.937 53.050 0.055 0.000 0.838 239 N CB 0.441 38.961 38.487 0.054 0.000 0.994 239 N HN 0.568 nan 8.380 nan 0.000 0.489 240 G N 1.343 110.194 108.800 0.084 0.000 2.176 240 G HA2 -0.314 3.647 3.960 0.002 0.000 0.252 240 G HA3 -0.314 3.647 3.960 0.002 0.000 0.252 240 G C 0.009 175.023 174.900 0.190 0.000 1.024 240 G CA 0.052 45.224 45.100 0.119 0.000 0.755 240 G HN 0.329 nan 8.290 nan 0.000 0.507 241 R N -1.126 119.475 120.500 0.168 0.000 2.778 241 R HA 0.816 5.157 4.340 0.002 0.000 0.277 241 R C -0.098 176.318 176.300 0.194 0.000 0.977 241 R CA -0.824 55.400 56.100 0.206 0.000 0.950 241 R CB 1.714 32.102 30.300 0.147 0.000 1.165 241 R HN 0.284 nan 8.270 nan 0.000 0.474 242 M N 1.998 121.745 119.600 0.245 0.000 2.393 242 M HA 0.482 4.963 4.480 0.002 0.000 0.299 242 M C -1.754 174.674 176.300 0.213 0.000 1.103 242 M CA -0.808 54.620 55.300 0.214 0.000 0.910 242 M CB 2.179 34.910 32.600 0.218 0.000 1.659 242 M HN 0.355 nan 8.290 nan 0.000 0.445 243 V N 3.735 123.747 119.914 0.163 0.000 2.709 243 V HA 0.612 4.733 4.120 0.002 0.000 0.308 243 V C -1.097 175.069 176.094 0.119 0.000 1.062 243 V CA -0.684 61.684 62.300 0.114 0.000 0.901 243 V CB 2.087 33.866 31.823 -0.074 0.000 1.003 243 V HN 0.818 nan 8.190 nan 0.000 0.425 244 H N 1.730 120.768 119.070 -0.054 0.000 2.894 244 H HA 0.607 5.164 4.556 0.002 0.000 0.367 244 H C -0.322 174.856 175.328 -0.251 0.000 1.144 244 H CA 0.443 56.293 56.048 -0.330 0.000 1.180 244 H CB 2.725 31.892 29.762 -0.991 0.000 1.758 244 H HN 0.865 nan 8.280 nan 0.000 0.541 245 T N 0.558 114.855 114.554 -0.428 0.000 1.744 245 T HA 0.202 4.553 4.350 0.002 0.000 0.186 245 T C 0.341 174.937 174.700 -0.173 0.000 0.723 245 T CA -0.426 61.560 62.100 -0.189 0.000 1.264 245 T CB 0.409 69.210 68.868 -0.112 0.000 3.334 245 T HN 0.542 nan 8.240 nan 0.000 0.421 246 N N 1.219 119.812 118.700 -0.178 0.000 2.291 246 N HA 0.234 4.975 4.740 0.002 0.000 0.244 246 N C -0.601 174.856 175.510 -0.089 0.000 1.216 246 N CA -0.559 52.437 53.050 -0.090 0.000 0.879 246 N CB 0.377 38.873 38.487 0.015 0.000 1.167 246 N HN 0.661 nan 8.380 nan 0.000 0.515 247 H N -2.074 116.728 119.070 -0.446 0.000 2.865 247 H HA 0.426 4.983 4.556 0.002 0.000 0.372 247 H C -0.873 174.205 175.328 -0.416 0.000 1.173 247 H CA -0.929 54.818 56.048 -0.501 0.000 1.147 247 H CB 0.535 29.626 29.762 -1.119 0.000 1.805 247 H HN -0.154 nan 8.280 nan 0.000 0.553 248 C N 2.496 121.670 119.300 -0.211 0.000 2.648 248 C HA 0.102 4.563 4.460 0.002 0.000 0.415 248 C C 2.152 177.022 174.990 -0.201 0.000 1.366 248 C CA -0.278 58.672 59.018 -0.114 0.000 1.756 248 C CB -1.287 26.462 27.740 0.015 0.000 2.549 248 C HN 0.679 nan 8.230 nan 0.000 0.597 249 L N 2.993 124.078 121.223 -0.229 0.000 2.556 249 L HA 0.233 4.574 4.340 0.002 0.000 0.226 249 L C 0.470 177.323 176.870 -0.029 0.000 1.089 249 L CA 0.439 55.133 54.840 -0.243 0.000 0.864 249 L CB -0.304 41.519 42.059 -0.394 0.000 1.067 249 L HN 0.582 nan 8.230 nan 0.000 0.477 250 L N -0.274 120.993 121.223 0.073 0.000 2.352 250 L HA 0.317 4.658 4.340 0.002 0.000 0.269 250 L C 0.085 176.992 176.870 0.062 0.000 1.034 250 L CA -0.887 53.977 54.840 0.039 0.000 0.806 250 L CB 0.712 42.759 42.059 -0.019 0.000 1.244 250 L HN -0.021 nan 8.230 nan 0.000 0.447 251 Q N 2.149 121.941 119.800 -0.014 0.000 2.281 251 Q HA 0.205 4.547 4.340 0.002 0.000 0.267 251 Q C -0.638 175.303 176.000 -0.099 0.000 1.053 251 Q CA 0.395 56.203 55.803 0.008 0.000 0.905 251 Q CB 0.461 29.202 28.738 0.005 0.000 1.195 251 Q HN 0.435 nan 8.270 nan 0.000 0.398 252 H N -0.072 119.035 119.070 0.061 0.000 2.676 252 H HA 0.420 4.978 4.556 0.002 0.000 0.352 252 H C 0.322 175.685 175.328 0.059 0.000 1.193 252 H CA -0.711 55.376 56.048 0.066 0.000 1.243 252 H CB 1.428 31.233 29.762 0.072 0.000 1.751 252 H HN 0.714 nan 8.280 nan 0.000 0.567 253 G N 0.260 109.168 108.800 0.181 0.000 2.554 253 G HA2 -0.040 3.921 3.960 0.002 0.000 0.238 253 G HA3 -0.040 3.921 3.960 0.002 0.000 0.238 253 G C 0.725 175.692 174.900 0.111 0.000 1.259 253 G CA -0.344 44.826 45.100 0.116 0.000 0.843 253 G HN 0.555 nan 8.290 nan 0.000 0.582 254 K N 0.500 120.949 120.400 0.081 0.000 2.442 254 K HA -0.093 4.228 4.320 0.002 0.000 0.198 254 K C 1.597 178.236 176.600 0.064 0.000 1.042 254 K CA 0.826 57.155 56.287 0.070 0.000 0.958 254 K CB 0.132 32.664 32.500 0.054 0.000 0.766 254 K HN 0.467 nan 8.250 nan 0.000 0.474 255 N N 0.872 119.612 118.700 0.067 0.000 2.353 255 N HA -0.050 4.691 4.740 0.002 0.000 0.185 255 N C -0.314 175.233 175.510 0.063 0.000 1.098 255 N CA 0.265 53.350 53.050 0.059 0.000 0.872 255 N CB 0.420 38.940 38.487 0.056 0.000 0.970 255 N HN 0.010 nan 8.380 nan 0.000 0.467 256 E N 0.847 121.091 120.200 0.074 0.000 2.392 256 E HA 0.083 4.434 4.350 0.002 0.000 0.264 256 E C -0.340 176.286 176.600 0.043 0.000 1.024 256 E CA 0.462 56.897 56.400 0.057 0.000 0.903 256 E CB 0.727 30.460 29.700 0.054 0.000 0.963 256 E HN 0.069 nan 8.360 nan 0.000 0.432 257 K N 2.239 122.659 120.400 0.034 0.000 2.507 257 K HA 0.251 4.572 4.320 0.002 0.000 0.252 257 K C -0.480 176.145 176.600 0.041 0.000 0.943 257 K CA -0.503 55.809 56.287 0.041 0.000 0.808 257 K CB 2.204 34.732 32.500 0.047 0.000 1.142 257 K HN 0.477 nan 8.250 nan 0.000 0.426 258 E N 3.925 124.156 120.200 0.051 0.000 2.174 258 E HA 0.264 4.615 4.350 0.002 0.000 0.282 258 E C -0.967 175.688 176.600 0.091 0.000 0.992 258 E CA -0.534 55.910 56.400 0.074 0.000 0.803 258 E CB 0.750 30.505 29.700 0.091 0.000 1.090 258 E HN 0.386 nan 8.360 nan 0.000 0.396 259 L N 5.291 126.582 121.223 0.113 0.000 2.277 259 L HA 0.238 4.579 4.340 0.002 0.000 0.284 259 L C -0.633 176.249 176.870 0.020 0.000 1.028 259 L CA -0.478 54.413 54.840 0.085 0.000 0.835 259 L CB 1.004 43.135 42.059 0.120 0.000 1.215 259 L HN 0.725 nan 8.230 nan 0.000 0.425 260 D N 2.428 122.828 120.400 -0.001 0.000 2.803 260 D HA -0.124 4.517 4.640 0.002 0.000 0.233 260 D C -2.126 174.090 176.300 -0.140 0.000 1.182 260 D CA 0.221 54.191 54.000 -0.051 0.000 0.726 260 D CB -0.669 40.106 40.800 -0.042 0.000 0.987 260 D HN 0.307 nan 8.370 nan 0.000 0.412 261 P HA 0.222 nan 4.420 nan 0.000 0.284 261 P C 0.689 178.039 177.300 0.084 0.000 1.253 261 P CA -0.667 62.437 63.100 0.005 0.000 0.800 261 P CB 0.980 32.831 31.700 0.253 0.000 0.961 262 L N 5.186 126.434 121.223 0.041 0.000 2.559 262 L HA -0.034 4.307 4.340 0.002 0.000 0.274 262 L C -0.961 175.993 176.870 0.140 0.000 1.205 262 L CA -1.002 53.864 54.840 0.044 0.000 0.907 262 L CB -0.086 41.991 42.059 0.030 0.000 1.153 262 L HN 0.315 nan 8.230 nan 0.000 0.490 263 P HA -0.214 nan 4.420 nan 0.000 0.216 263 P C 0.861 178.189 177.300 0.046 0.000 1.150 263 P CA 1.438 64.510 63.100 -0.046 0.000 0.843 263 P CB 0.015 31.587 31.700 -0.213 0.000 0.787 264 D N -1.704 118.664 120.400 -0.054 0.000 2.350 264 D HA -0.097 4.544 4.640 0.002 0.000 0.216 264 D C 1.807 178.156 176.300 0.081 0.000 0.968 264 D CA 0.668 54.658 54.000 -0.016 0.000 0.894 264 D CB -0.835 39.940 40.800 -0.041 0.000 0.909 264 D HN 0.015 nan 8.370 nan 0.000 0.520 265 S N -0.945 114.823 115.700 0.115 0.000 2.383 265 S HA -0.150 4.321 4.470 0.002 0.000 0.229 265 S C 1.481 176.069 174.600 -0.020 0.000 1.030 265 S CA 0.954 59.175 58.200 0.035 0.000 1.002 265 S CB -0.477 62.692 63.200 -0.052 0.000 0.829 265 S HN 0.516 nan 8.310 nan 0.000 0.467 266 W N 1.401 122.574 121.300 -0.212 0.000 2.407 266 W HA -0.042 4.619 4.660 0.002 0.000 0.305 266 W C 2.030 178.534 176.519 -0.024 0.000 1.196 266 W CA 0.828 58.054 57.345 -0.198 0.000 1.311 266 W CB -1.086 28.186 29.460 -0.314 0.000 1.135 266 W HN 0.398 nan 8.180 nan 0.000 0.514 267 N N 0.423 119.232 118.700 0.183 0.000 2.061 267 N HA -0.178 4.563 4.740 0.002 0.000 0.193 267 N C 1.697 177.253 175.510 0.075 0.000 1.030 267 N CA 1.760 54.865 53.050 0.093 0.000 0.856 267 N CB -0.728 37.783 38.487 0.041 0.000 1.023 267 N HN 0.075 nan 8.380 nan 0.000 0.424 268 R N -0.487 120.058 120.500 0.075 0.000 2.092 268 R HA -0.079 4.262 4.340 0.002 0.000 0.231 268 R C 2.144 178.460 176.300 0.027 0.000 1.119 268 R CA 0.991 57.116 56.100 0.042 0.000 0.970 268 R CB -0.441 29.884 30.300 0.041 0.000 0.864 268 R HN 0.489 nan 8.270 nan 0.000 0.440 269 H N 1.333 120.391 119.070 -0.020 0.000 2.293 269 H HA -0.136 4.421 4.556 0.002 0.000 0.300 269 H C 1.723 177.045 175.328 -0.011 0.000 1.082 269 H CA 1.914 57.932 56.048 -0.049 0.000 1.308 269 H CB 0.267 29.990 29.762 -0.065 0.000 1.375 269 H HN 0.255 nan 8.280 nan 0.000 0.495 270 Q N -0.185 119.650 119.800 0.059 0.000 2.124 270 Q HA -0.162 4.180 4.340 0.002 0.000 0.202 270 Q C 2.566 178.561 176.000 -0.007 0.000 0.977 270 Q CA 1.522 57.341 55.803 0.027 0.000 0.850 270 Q CB -0.005 28.791 28.738 0.096 0.000 0.901 270 Q HN 0.165 nan 8.270 nan 0.000 0.429 271 R N 0.674 121.170 120.500 -0.007 0.000 2.073 271 R HA -0.138 4.203 4.340 0.002 0.000 0.234 271 R C 1.993 178.290 176.300 -0.005 0.000 1.134 271 R CA 1.652 57.759 56.100 0.013 0.000 0.952 271 R CB -0.474 29.821 30.300 -0.007 0.000 0.850 271 R HN 0.230 nan 8.270 nan 0.000 0.433 272 M N 0.936 120.466 119.600 -0.117 0.000 2.117 272 M HA -0.086 4.395 4.480 0.002 0.000 0.262 272 M C 1.551 177.741 176.300 -0.183 0.000 1.065 272 M CA 1.754 56.928 55.300 -0.211 0.000 1.114 272 M CB -0.310 32.132 32.600 -0.264 0.000 1.361 272 M HN 0.165 nan 8.290 nan 0.000 0.408 273 E N -0.678 119.406 120.200 -0.192 0.000 2.070 273 E HA -0.244 4.107 4.350 0.002 0.000 0.197 273 E C 2.014 178.598 176.600 -0.026 0.000 1.004 273 E CA 1.795 58.114 56.400 -0.134 0.000 0.805 273 E CB -0.799 28.799 29.700 -0.170 0.000 0.744 273 E HN 0.639 nan 8.360 nan 0.000 0.451 274 F N 1.518 121.405 119.950 -0.105 0.000 2.134 274 F HA -0.168 4.360 4.527 0.002 0.000 0.299 274 F C 2.204 177.966 175.800 -0.062 0.000 1.097 274 F CA 1.176 59.137 58.000 -0.065 0.000 1.264 274 F CB -0.269 38.697 39.000 -0.056 0.000 1.001 274 F HN -0.094 nan 8.300 nan 0.000 0.479 275 L N -0.211 120.926 121.223 -0.144 0.000 2.083 275 L HA -0.224 4.117 4.340 0.002 0.000 0.209 275 L C 2.446 179.180 176.870 -0.227 0.000 1.083 275 L CA 1.068 55.758 54.840 -0.250 0.000 0.752 275 L CB -0.708 41.232 42.059 -0.199 0.000 0.899 275 L HN 0.228 nan 8.230 nan 0.000 0.433 276 L N -0.464 120.654 121.223 -0.175 0.000 2.201 276 L HA -0.216 4.126 4.340 0.002 0.000 0.212 276 L C 2.135 179.025 176.870 0.033 0.000 1.105 276 L CA 1.097 55.918 54.840 -0.031 0.000 0.775 276 L CB -0.526 41.514 42.059 -0.030 0.000 0.913 276 L HN 0.300 nan 8.230 nan 0.000 0.440 277 D N 0.229 120.569 120.400 -0.100 0.000 2.149 277 D HA -0.163 4.478 4.640 0.002 0.000 0.198 277 D C 2.020 178.236 176.300 -0.140 0.000 0.990 277 D CA 1.457 55.387 54.000 -0.116 0.000 0.839 277 D CB 0.046 40.746 40.800 -0.167 0.000 0.948 277 D HN 0.214 nan 8.370 nan 0.000 0.460 278 G N -1.345 107.320 108.800 -0.226 0.000 2.986 278 G HA2 0.004 3.965 3.960 0.002 0.000 0.213 278 G HA3 0.004 3.965 3.960 0.002 0.000 0.213 278 G C 0.245 175.121 174.900 -0.039 0.000 1.156 278 G CA -0.485 44.504 45.100 -0.184 0.000 0.763 278 G HN 0.253 nan 8.290 nan 0.000 0.547 279 F N 3.203 123.063 119.950 -0.149 0.000 2.578 279 F HA 0.171 4.699 4.527 0.002 0.000 0.381 279 F C 1.204 176.976 175.800 -0.047 0.000 1.069 279 F CA -1.470 56.480 58.000 -0.083 0.000 1.231 279 F CB 1.039 40.005 39.000 -0.057 0.000 1.086 279 F HN 0.164 nan 8.300 nan 0.000 0.564 280 D N 2.711 122.870 120.400 -0.400 0.000 2.340 280 D HA 0.147 4.788 4.640 0.002 0.000 0.220 280 D C 1.614 177.514 176.300 -0.667 0.000 1.039 280 D CA 0.714 54.462 54.000 -0.419 0.000 0.866 280 D CB -0.110 40.580 40.800 -0.184 0.000 0.913 280 D HN 0.896 nan 8.370 nan 0.000 0.523 281 G N 0.037 107.933 108.800 -1.506 0.000 2.213 281 G HA2 -0.269 3.692 3.960 0.002 0.000 0.236 281 G HA3 -0.269 3.692 3.960 0.002 0.000 0.236 281 G C 0.548 175.218 174.900 -0.383 0.000 0.991 281 G CA 0.388 44.842 45.100 -1.076 0.000 0.629 281 G HN 0.807 nan 8.290 nan 0.000 0.517 282 T N -0.968 113.471 114.554 -0.192 0.000 2.918 282 T HA 0.533 4.884 4.350 0.002 0.000 0.302 282 T C 1.310 176.155 174.700 0.243 0.000 1.045 282 T CA 0.653 62.780 62.100 0.045 0.000 1.114 282 T CB 1.646 70.537 68.868 0.039 0.000 0.965 282 T HN 0.291 nan 8.240 nan 0.000 0.540 283 K N 1.085 121.585 120.400 0.166 0.000 2.097 283 K HA -0.199 4.122 4.320 0.002 0.000 0.206 283 K C 2.552 179.294 176.600 0.237 0.000 1.049 283 K CA 1.914 58.321 56.287 0.200 0.000 0.933 283 K CB -0.154 32.409 32.500 0.104 0.000 0.717 283 K HN 0.857 nan 8.250 nan 0.000 0.442 284 Q N 0.576 120.477 119.800 0.169 0.000 2.119 284 Q HA -0.054 4.288 4.340 0.002 0.000 0.201 284 Q C 1.870 177.970 176.000 0.166 0.000 0.972 284 Q CA 1.704 57.590 55.803 0.138 0.000 0.847 284 Q CB -0.430 28.359 28.738 0.086 0.000 0.903 284 Q HN 0.179 nan 8.270 nan 0.000 0.433 285 A N 0.036 122.991 122.820 0.225 0.000 1.930 285 A HA -0.064 4.257 4.320 0.002 0.000 0.217 285 A C 1.975 179.706 177.584 0.244 0.000 1.175 285 A CA 1.168 53.360 52.037 0.259 0.000 0.627 285 A CB -0.946 18.266 19.000 0.354 0.000 0.815 285 A HN 0.484 nan 8.150 nan 0.000 0.443 286 F N 0.994 121.061 119.950 0.196 0.000 2.134 286 F HA -0.100 4.428 4.527 0.002 0.000 0.299 286 F C 2.532 178.340 175.800 0.013 0.000 1.097 286 F CA 1.113 59.048 58.000 -0.109 0.000 1.264 286 F CB -0.371 38.655 39.000 0.043 0.000 1.001 286 F HN 0.251 nan 8.300 nan 0.000 0.479 287 A N -0.266 122.685 122.820 0.219 0.000 1.902 287 A HA -0.248 4.074 4.320 0.002 0.000 0.217 287 A C 2.106 179.746 177.584 0.094 0.000 1.181 287 A CA 1.849 54.007 52.037 0.201 0.000 0.623 287 A CB -0.835 18.254 19.000 0.150 0.000 0.818 287 A HN 0.585 nan 8.150 nan 0.000 0.443 288 Q N -0.427 119.376 119.800 0.006 0.000 2.224 288 Q HA -0.041 4.300 4.340 0.002 0.000 0.203 288 Q C 1.913 177.813 176.000 -0.167 0.000 0.970 288 Q CA 1.065 56.843 55.803 -0.042 0.000 0.865 288 Q CB -0.369 28.360 28.738 -0.015 0.000 0.922 288 Q HN 0.714 nan 8.270 nan 0.000 0.445 289 L N -1.161 119.824 121.223 -0.397 0.000 2.081 289 L HA -0.207 4.134 4.340 0.002 0.000 0.212 289 L C 1.622 178.113 176.870 -0.633 0.000 1.080 289 L CA 1.350 55.791 54.840 -0.664 0.000 0.754 289 L CB -0.488 40.862 42.059 -1.180 0.000 0.893 289 L HN 0.379 nan 8.230 nan 0.000 0.433 290 W N -0.795 120.349 121.300 -0.261 0.000 2.937 290 W HA 0.122 4.783 4.660 0.002 0.000 0.245 290 W C 2.119 178.564 176.519 -0.123 0.000 1.306 290 W CA 0.287 57.507 57.345 -0.208 0.000 1.470 290 W CB -0.121 29.197 29.460 -0.237 0.000 1.132 290 W HN 0.012 nan 8.180 nan 0.000 0.675 291 A N -0.261 122.585 122.820 0.043 0.000 2.345 291 A HA 0.064 4.386 4.320 0.002 0.000 0.225 291 A C 0.009 177.598 177.584 0.009 0.000 1.243 291 A CA -0.137 51.922 52.037 0.037 0.000 0.875 291 A CB -0.533 18.483 19.000 0.026 0.000 0.929 291 A HN 0.079 nan 8.150 nan 0.000 0.502 292 D N 0.409 120.789 120.400 -0.034 0.000 2.458 292 D HA 0.111 4.752 4.640 0.002 0.000 0.243 292 D C 0.570 176.884 176.300 0.024 0.000 1.146 292 D CA 0.619 54.602 54.000 -0.028 0.000 0.877 292 D CB 0.493 41.248 40.800 -0.075 0.000 1.176 292 D HN 0.371 nan 8.370 nan 0.000 0.461 293 E N 2.002 122.229 120.200 0.045 0.000 2.651 293 E HA 0.056 4.407 4.350 0.002 0.000 0.208 293 E C -0.714 175.950 176.600 0.108 0.000 0.997 293 E CA -0.349 56.116 56.400 0.108 0.000 1.020 293 E CB 0.449 30.221 29.700 0.119 0.000 1.052 293 E HN 0.507 nan 8.360 nan 0.000 0.465 294 D N 1.090 121.526 120.400 0.061 0.000 2.458 294 D HA -0.050 4.591 4.640 0.002 0.000 0.243 294 D C 0.523 176.874 176.300 0.084 0.000 1.146 294 D CA 0.777 54.808 54.000 0.052 0.000 0.877 294 D CB 0.331 41.141 40.800 0.017 0.000 1.176 294 D HN -0.029 nan 8.370 nan 0.000 0.461 295 N N 2.045 120.806 118.700 0.100 0.000 2.782 295 N HA -0.292 4.449 4.740 0.002 0.000 0.251 295 N C -1.096 174.532 175.510 0.197 0.000 1.101 295 N CA 0.366 53.503 53.050 0.145 0.000 0.764 295 N CB -2.000 36.559 38.487 0.120 0.000 1.122 295 N HN 0.505 nan 8.380 nan 0.000 0.561 296 Y N 1.059 121.376 120.300 0.029 0.000 2.904 296 Y HA 0.055 4.606 4.550 0.002 0.000 0.336 296 Y C -0.965 174.869 175.900 -0.111 0.000 1.263 296 Y CA 0.030 58.104 58.100 -0.043 0.000 1.547 296 Y CB 0.696 39.127 38.460 -0.049 0.000 1.272 296 Y HN 0.161 nan 8.280 nan 0.000 0.596 297 P HA -0.025 nan 4.420 nan 0.000 0.249 297 P C 0.149 176.988 177.300 -0.768 0.000 1.229 297 P CA 0.736 63.048 63.100 -1.313 0.000 0.788 297 P CB -0.040 30.922 31.700 -1.230 0.000 1.072 298 F N 1.008 120.819 119.950 -0.231 0.000 2.695 298 F HA 0.072 4.600 4.527 0.002 0.000 0.301 298 F C 1.466 177.214 175.800 -0.085 0.000 1.182 298 F CA -0.247 57.672 58.000 -0.136 0.000 1.412 298 F CB -0.982 37.966 39.000 -0.087 0.000 1.056 298 F HN -0.118 nan 8.300 nan 0.000 0.522 299 S N -0.500 115.212 115.700 0.020 0.000 2.624 299 S HA 0.256 4.728 4.470 0.002 0.000 0.263 299 S C 1.525 176.144 174.600 0.032 0.000 1.287 299 S CA -0.716 57.513 58.200 0.048 0.000 0.990 299 S CB 1.018 64.261 63.200 0.071 0.000 0.950 299 S HN 0.222 nan 8.310 nan 0.000 0.561 300 I N -0.099 120.489 120.570 0.031 0.000 2.151 300 I HA -0.156 4.015 4.170 0.002 0.000 0.243 300 I C 1.603 177.753 176.117 0.055 0.000 1.080 300 I CA 1.140 62.460 61.300 0.033 0.000 1.339 300 I CB -0.187 37.801 38.000 -0.019 0.000 1.039 300 I HN 0.669 nan 8.210 nan 0.000 0.409 301 C N 3.522 122.852 119.300 0.051 0.000 2.218 301 C HA 0.248 4.709 4.460 0.002 0.000 0.353 301 C C 0.959 175.962 174.990 0.022 0.000 1.070 301 C CA -0.700 58.351 59.018 0.055 0.000 1.497 301 C CB -1.578 26.205 27.740 0.072 0.000 1.951 301 C HN 0.211 nan 8.230 nan 0.000 0.493 302 R N 3.711 124.200 120.500 -0.019 0.000 2.490 302 R HA 0.574 4.915 4.340 0.002 0.000 0.280 302 R C -0.102 176.125 176.300 -0.121 0.000 1.077 302 R CA 0.046 56.090 56.100 -0.093 0.000 1.065 302 R CB 0.757 31.005 30.300 -0.087 0.000 1.003 302 R HN 0.827 nan 8.270 nan 0.000 0.470 303 A N 3.583 126.241 122.820 -0.271 0.000 2.350 303 A HA 0.253 4.574 4.320 0.002 0.000 0.324 303 A C -1.533 175.908 177.584 -0.238 0.000 1.118 303 A CA -0.653 51.240 52.037 -0.240 0.000 0.783 303 A CB 0.845 19.610 19.000 -0.391 0.000 1.236 303 A HN 0.787 nan 8.150 nan 0.000 0.457 304 Y N 1.183 121.371 120.300 -0.187 0.000 2.425 304 Y HA 0.423 4.975 4.550 0.002 0.000 0.331 304 Y C 0.145 175.945 175.900 -0.167 0.000 1.157 304 Y CA 0.783 58.786 58.100 -0.160 0.000 1.372 304 Y CB 0.516 38.926 38.460 -0.083 0.000 1.253 304 Y HN 0.678 nan 8.280 nan 0.000 0.536 305 E N 5.364 124.949 120.200 -1.024 0.000 2.313 305 E HA 0.048 4.399 4.350 0.002 0.000 0.280 305 E C -1.459 174.598 176.600 -0.906 0.000 0.898 305 E CA -0.727 55.175 56.400 -0.829 0.000 0.803 305 E CB 1.339 30.738 29.700 -0.501 0.000 1.286 305 E HN 0.738 nan 8.360 nan 0.000 0.401 306 E N 1.192 120.917 120.200 -0.791 0.000 2.498 306 E HA 0.057 4.409 4.350 0.002 0.000 0.252 306 E C 0.851 177.329 176.600 -0.203 0.000 1.025 306 E CA 1.420 57.603 56.400 -0.362 0.000 0.938 306 E CB 0.135 29.795 29.700 -0.067 0.000 0.947 306 E HN 0.844 nan 8.360 nan 0.000 0.478 307 G N 4.180 112.898 108.800 -0.136 0.000 2.213 307 G HA2 -0.280 3.681 3.960 0.002 0.000 0.236 307 G HA3 -0.280 3.681 3.960 0.002 0.000 0.236 307 G C 0.813 175.684 174.900 -0.049 0.000 0.991 307 G CA 0.489 45.551 45.100 -0.064 0.000 0.629 307 G HN 0.576 nan 8.290 nan 0.000 0.517 308 K N -0.616 119.712 120.400 -0.120 0.000 2.469 308 K HA 0.394 4.715 4.320 0.002 0.000 0.228 308 K C 0.758 177.328 176.600 -0.050 0.000 1.266 308 K CA 0.641 56.899 56.287 -0.050 0.000 0.775 308 K CB 0.596 32.953 32.500 -0.239 0.000 1.582 308 K HN 0.237 nan 8.250 nan 0.000 0.415 309 S N 0.774 116.280 115.700 -0.323 0.000 2.449 309 S HA 0.293 4.764 4.470 0.002 0.000 0.310 309 S C 0.257 174.741 174.600 -0.193 0.000 1.096 309 S CA -0.615 57.426 58.200 -0.266 0.000 1.095 309 S CB 1.132 64.031 63.200 -0.502 0.000 1.007 309 S HN 0.181 nan 8.310 nan 0.000 0.474 310 R N 2.912 123.377 120.500 -0.058 0.000 2.276 310 R HA 0.248 4.590 4.340 0.002 0.000 0.196 310 R C 1.057 177.373 176.300 0.027 0.000 0.961 310 R CA 0.445 56.571 56.100 0.043 0.000 1.024 310 R CB 0.315 30.632 30.300 0.028 0.000 0.940 310 R HN 0.644 nan 8.270 nan 0.000 0.480 311 G N -0.687 108.067 108.800 -0.076 0.000 2.727 311 G HA2 0.710 4.672 3.960 0.002 0.000 0.289 311 G HA3 0.710 4.672 3.960 0.002 0.000 0.289 311 G C -1.808 173.049 174.900 -0.071 0.000 1.418 311 G CA -0.327 44.691 45.100 -0.136 0.000 0.818 311 G HN 0.140 nan 8.290 nan 0.000 0.486 312 A N -0.975 121.797 122.820 -0.081 0.000 2.532 312 A HA 0.834 5.155 4.320 0.002 0.000 0.290 312 A C -0.065 177.475 177.584 -0.074 0.000 1.143 312 A CA -0.505 51.499 52.037 -0.055 0.000 0.728 312 A CB 1.069 20.073 19.000 0.007 0.000 1.317 312 A HN 0.826 nan 8.150 nan 0.000 0.414 313 T N 1.807 116.333 114.554 -0.046 0.000 2.817 313 T HA 0.295 4.646 4.350 0.002 0.000 0.295 313 T C 1.102 175.817 174.700 0.025 0.000 0.958 313 T CA 0.402 62.480 62.100 -0.036 0.000 1.157 313 T CB -0.203 68.657 68.868 -0.012 0.000 0.898 313 T HN 0.431 nan 8.240 nan 0.000 0.536 314 L N 3.032 124.300 121.223 0.076 0.000 2.470 314 L HA 0.392 4.733 4.340 0.002 0.000 0.219 314 L C 0.236 177.341 176.870 0.392 0.000 1.071 314 L CA 0.156 55.143 54.840 0.244 0.000 0.850 314 L CB 0.124 42.412 42.059 0.382 0.000 1.040 314 L HN 0.690 nan 8.230 nan 0.000 0.475 315 F N -2.218 117.840 119.950 0.180 0.000 2.741 315 F HA 0.456 4.984 4.527 0.002 0.000 0.311 315 F C -1.478 174.309 175.800 -0.021 0.000 1.149 315 F CA -1.222 56.812 58.000 0.057 0.000 0.930 315 F CB 1.191 40.208 39.000 0.029 0.000 1.312 315 F HN -0.228 nan 8.300 nan 0.000 0.450 316 N N 2.061 120.753 118.700 -0.014 0.000 2.238 316 N HA 0.647 5.388 4.740 0.002 0.000 0.302 316 N C -2.123 173.266 175.510 -0.201 0.000 1.072 316 N CA -0.469 52.410 53.050 -0.284 0.000 0.792 316 N CB 2.742 41.067 38.487 -0.271 0.000 1.425 316 N HN 0.931 nan 8.380 nan 0.000 0.478 317 I N 3.294 123.618 120.570 -0.410 0.000 2.647 317 I HA 0.525 4.697 4.170 0.002 0.000 0.295 317 I C -1.329 174.385 176.117 -0.671 0.000 1.078 317 I CA -0.844 60.179 61.300 -0.461 0.000 1.048 317 I CB 1.841 39.623 38.000 -0.363 0.000 1.239 317 I HN 0.513 nan 8.210 nan 0.000 0.421 318 I N 7.007 127.210 120.570 -0.611 0.000 2.499 318 I HA 0.291 4.462 4.170 0.002 0.000 0.288 318 I C -1.465 174.338 176.117 -0.524 0.000 1.048 318 I CA -0.540 60.516 61.300 -0.406 0.000 1.062 318 I CB 1.700 39.649 38.000 -0.086 0.000 1.238 318 I HN 0.388 nan 8.210 nan 0.000 0.426 319 Y N 3.736 123.912 120.300 -0.207 0.000 2.367 319 Y HA 0.259 4.810 4.550 0.002 0.000 0.342 319 Y C 0.247 175.918 175.900 -0.382 0.000 0.979 319 Y CA -0.973 56.903 58.100 -0.373 0.000 1.161 319 Y CB 0.562 38.742 38.460 -0.467 0.000 1.155 319 Y HN 0.397 nan 8.280 nan 0.000 0.503 320 D N 2.743 123.077 120.400 -0.110 0.000 2.441 320 D HA 0.059 4.700 4.640 0.002 0.000 0.221 320 D C 0.841 177.142 176.300 0.001 0.000 1.156 320 D CA 0.104 54.066 54.000 -0.064 0.000 0.896 320 D CB 0.197 40.996 40.800 -0.002 0.000 1.028 320 D HN 0.624 nan 8.370 nan 0.000 0.509 321 H N 2.661 121.787 119.070 0.094 0.000 2.423 321 H HA -0.068 4.489 4.556 0.002 0.000 0.297 321 H C 1.688 177.082 175.328 0.109 0.000 1.075 321 H CA 1.358 57.482 56.048 0.127 0.000 1.342 321 H CB 0.150 29.968 29.762 0.093 0.000 1.395 321 H HN 0.565 nan 8.280 nan 0.000 0.530 322 A N 1.144 124.070 122.820 0.176 0.000 1.972 322 A HA -0.134 4.187 4.320 0.002 0.000 0.219 322 A C 2.237 179.892 177.584 0.119 0.000 1.169 322 A CA 1.176 53.287 52.037 0.123 0.000 0.635 322 A CB -0.031 19.016 19.000 0.078 0.000 0.810 322 A HN 0.181 nan 8.150 nan 0.000 0.446 323 R N -2.010 118.566 120.500 0.127 0.000 2.397 323 R HA 0.187 4.528 4.340 0.002 0.000 0.241 323 R C 0.238 176.649 176.300 0.184 0.000 0.914 323 R CA 0.315 56.491 56.100 0.128 0.000 1.071 323 R CB -0.187 30.173 30.300 0.100 0.000 1.116 323 R HN 0.570 nan 8.270 nan 0.000 0.524 324 R N 1.938 122.587 120.500 0.248 0.000 3.264 324 R HA -0.195 4.146 4.340 0.002 0.000 0.251 324 R C -1.276 175.341 176.300 0.527 0.000 0.971 324 R CA 0.852 57.182 56.100 0.382 0.000 0.658 324 R CB -1.260 29.195 30.300 0.258 0.000 1.095 324 R HN 0.278 nan 8.270 nan 0.000 0.443 325 E N -0.505 119.963 120.200 0.446 0.000 2.293 325 E HA 0.669 5.020 4.350 0.002 0.000 0.270 325 E C -1.186 175.432 176.600 0.030 0.000 0.879 325 E CA -0.516 56.069 56.400 0.309 0.000 0.756 325 E CB 2.052 31.831 29.700 0.132 0.000 1.208 325 E HN 0.340 nan 8.360 nan 0.000 0.428 326 A N 1.878 124.548 122.820 -0.250 0.000 2.330 326 A HA 0.579 4.900 4.320 0.002 0.000 0.313 326 A C -0.606 176.768 177.584 -0.350 0.000 1.124 326 A CA -0.579 51.137 52.037 -0.535 0.000 0.774 326 A CB 1.337 19.714 19.000 -1.039 0.000 1.198 326 A HN 0.448 nan 8.150 nan 0.000 0.465 327 T N 2.137 116.487 114.554 -0.340 0.000 2.771 327 T HA 0.520 4.871 4.350 0.002 0.000 0.281 327 T C -0.333 174.116 174.700 -0.419 0.000 0.982 327 T CA -0.221 61.696 62.100 -0.306 0.000 0.978 327 T CB 1.034 69.785 68.868 -0.195 0.000 0.930 327 T HN 0.431 nan 8.240 nan 0.000 0.447 328 V N 4.829 124.384 119.914 -0.599 0.000 2.459 328 V HA 0.544 4.665 4.120 0.002 0.000 0.295 328 V C -0.000 175.722 176.094 -0.620 0.000 1.029 328 V CA -0.941 60.951 62.300 -0.680 0.000 0.874 328 V CB 1.709 32.887 31.823 -1.076 0.000 0.985 328 V HN 0.734 nan 8.190 nan 0.000 0.438 329 R N 3.596 123.905 120.500 -0.318 0.000 2.388 329 R HA 0.525 4.866 4.340 0.002 0.000 0.314 329 R C -1.141 175.129 176.300 -0.049 0.000 0.959 329 R CA -0.766 55.224 56.100 -0.184 0.000 0.851 329 R CB 1.846 32.078 30.300 -0.113 0.000 1.168 329 R HN 0.550 nan 8.270 nan 0.000 0.472 330 L N 2.701 123.911 121.223 -0.022 0.000 2.349 330 L HA 0.541 4.882 4.340 0.002 0.000 0.275 330 L C 0.790 177.712 176.870 0.087 0.000 1.115 330 L CA 1.448 56.336 54.840 0.080 0.000 0.820 330 L CB 0.966 43.075 42.059 0.083 0.000 1.135 330 L HN 0.856 nan 8.230 nan 0.000 0.445 331 G N 4.513 113.391 108.800 0.131 0.000 2.568 331 G HA2 -0.196 3.765 3.960 0.002 0.000 0.222 331 G HA3 -0.196 3.765 3.960 0.002 0.000 0.222 331 G C -0.486 174.461 174.900 0.078 0.000 1.321 331 G CA -0.267 44.892 45.100 0.098 0.000 0.893 331 G HN 0.807 nan 8.290 nan 0.000 0.569 332 R N 1.027 121.562 120.500 0.059 0.000 2.340 332 R HA 0.356 4.697 4.340 0.002 0.000 0.300 332 R C -1.688 174.638 176.300 0.043 0.000 1.069 332 R CA -1.141 54.990 56.100 0.051 0.000 0.984 332 R CB 1.151 31.485 30.300 0.058 0.000 1.003 332 R HN 0.229 nan 8.270 nan 0.000 0.459 333 P HA -0.179 nan 4.420 nan 0.000 0.221 333 P C 1.119 178.442 177.300 0.038 0.000 1.145 333 P CA 1.327 64.450 63.100 0.039 0.000 0.795 333 P CB 0.150 31.892 31.700 0.069 0.000 0.775 334 T N -4.875 109.705 114.554 0.042 0.000 2.881 334 T HA -0.114 4.237 4.350 0.002 0.000 0.270 334 T C 0.993 175.709 174.700 0.026 0.000 1.068 334 T CA 1.171 63.291 62.100 0.033 0.000 1.131 334 T CB -0.531 68.361 68.868 0.039 0.000 0.871 334 T HN 0.003 nan 8.240 nan 0.000 0.479 335 N N 1.367 120.085 118.700 0.029 0.000 2.785 335 N HA 0.327 5.068 4.740 0.002 0.000 0.224 335 N C -3.391 172.135 175.510 0.027 0.000 1.448 335 N CA -1.546 51.518 53.050 0.025 0.000 0.748 335 N CB 0.956 39.458 38.487 0.025 0.000 1.385 335 N HN 0.066 nan 8.380 nan 0.000 0.538 336 P HA 0.167 nan 4.420 nan 0.000 0.267 336 P C 0.320 177.635 177.300 0.026 0.000 1.200 336 P CA -0.072 63.041 63.100 0.021 0.000 0.772 336 P CB 0.967 32.668 31.700 0.001 0.000 0.855 337 D N 0.849 121.271 120.400 0.036 0.000 2.144 337 D HA -0.081 4.560 4.640 0.002 0.000 0.200 337 D C 0.744 177.068 176.300 0.040 0.000 0.978 337 D CA 1.487 55.511 54.000 0.039 0.000 0.833 337 D CB 0.291 41.120 40.800 0.049 0.000 0.961 337 D HN 0.685 nan 8.370 nan 0.000 0.470 338 E N -1.028 119.199 120.200 0.045 0.000 2.429 338 E HA 0.465 4.817 4.350 0.002 0.000 0.280 338 E C -0.987 175.631 176.600 0.030 0.000 1.068 338 E CA -0.961 55.475 56.400 0.059 0.000 0.837 338 E CB 1.708 31.471 29.700 0.105 0.000 1.357 338 E HN 0.003 nan 8.360 nan 0.000 0.455 339 M N 0.280 119.904 119.600 0.041 0.000 2.578 339 M HA 0.812 5.293 4.480 0.002 0.000 0.276 339 M C -1.853 174.470 176.300 0.038 0.000 1.245 339 M CA -0.833 54.412 55.300 -0.091 0.000 0.871 339 M CB 2.183 34.717 32.600 -0.110 0.000 1.722 339 M HN 0.707 nan 8.290 nan 0.000 0.473 340 F N -1.088 118.817 119.950 -0.074 0.000 2.741 340 F HA 0.859 5.388 4.527 0.002 0.000 0.311 340 F C -2.217 173.522 175.800 -0.103 0.000 1.149 340 F CA -1.191 56.757 58.000 -0.086 0.000 0.930 340 F CB 0.917 39.854 39.000 -0.104 0.000 1.312 340 F HN 0.407 nan 8.300 nan 0.000 0.450 341 V N 2.862 122.865 119.914 0.149 0.000 2.495 341 V HA 0.493 4.614 4.120 0.002 0.000 0.298 341 V C -0.204 175.946 176.094 0.093 0.000 1.031 341 V CA -0.731 61.593 62.300 0.040 0.000 0.871 341 V CB 1.760 33.590 31.823 0.012 0.000 0.988 341 V HN 0.780 nan 8.190 nan 0.000 0.432 342 M N 6.392 126.016 119.600 0.041 0.000 2.209 342 M HA 0.664 5.145 4.480 0.002 0.000 0.355 342 M C -0.127 176.201 176.300 0.046 0.000 1.171 342 M CA -0.308 55.006 55.300 0.023 0.000 1.069 342 M CB 1.382 34.017 32.600 0.059 0.000 1.622 342 M HN 0.799 nan 8.290 nan 0.000 0.459 343 R N 1.487 121.922 120.500 -0.108 0.000 2.752 343 R HA 0.712 5.053 4.340 0.002 0.000 0.271 343 R C -1.892 174.180 176.300 -0.380 0.000 1.026 343 R CA -0.857 55.160 56.100 -0.138 0.000 0.901 343 R CB 1.341 31.660 30.300 0.032 0.000 1.243 343 R HN 0.361 nan 8.270 nan 0.000 0.463 344 F N 0.804 120.773 119.950 0.032 0.000 2.432 344 F HA 0.365 4.894 4.527 0.002 0.000 0.329 344 F C 0.411 176.216 175.800 0.009 0.000 1.076 344 F CA -0.035 57.961 58.000 -0.008 0.000 1.018 344 F CB 1.289 40.245 39.000 -0.074 0.000 1.201 344 F HN 0.708 nan 8.300 nan 0.000 0.489 345 D N -0.283 120.236 120.400 0.198 0.000 2.689 345 D HA 0.291 4.932 4.640 0.002 0.000 0.255 345 D C 0.338 176.698 176.300 0.101 0.000 1.113 345 D CA -0.587 53.484 54.000 0.117 0.000 1.115 345 D CB 0.421 41.266 40.800 0.076 0.000 1.334 345 D HN 0.421 nan 8.370 nan 0.000 0.621 346 E N -0.589 119.650 120.200 0.066 0.000 2.106 346 E HA -0.107 4.244 4.350 0.002 0.000 0.192 346 E C 1.522 178.149 176.600 0.046 0.000 0.984 346 E CA 1.087 57.516 56.400 0.048 0.000 0.806 346 E CB 0.040 29.761 29.700 0.035 0.000 0.750 346 E HN 0.389 nan 8.360 nan 0.000 0.458 347 E N 0.806 121.038 120.200 0.053 0.000 2.152 347 E HA -0.140 4.211 4.350 0.002 0.000 0.192 347 E C 1.439 178.076 176.600 0.062 0.000 0.983 347 E CA 0.780 57.210 56.400 0.050 0.000 0.818 347 E CB -0.131 29.597 29.700 0.047 0.000 0.758 347 E HN 0.325 nan 8.360 nan 0.000 0.467 348 D N 0.859 121.316 120.400 0.095 0.000 2.117 348 D HA -0.189 4.452 4.640 0.002 0.000 0.197 348 D C 1.886 178.211 176.300 0.042 0.000 0.987 348 D CA 1.004 55.076 54.000 0.121 0.000 0.829 348 D CB -0.169 40.797 40.800 0.277 0.000 0.961 348 D HN 0.395 nan 8.370 nan 0.000 0.460 349 E N 1.022 121.239 120.200 0.028 0.000 2.051 349 E HA -0.210 4.141 4.350 0.002 0.000 0.192 349 E C 2.215 178.807 176.600 -0.013 0.000 0.991 349 E CA 0.700 57.089 56.400 -0.018 0.000 0.799 349 E CB 0.056 29.753 29.700 -0.004 0.000 0.748 349 E HN 0.046 nan 8.360 nan 0.000 0.449 350 R N 0.293 120.796 120.500 0.006 0.000 2.091 350 R HA -0.135 4.206 4.340 0.002 0.000 0.238 350 R C 2.621 178.924 176.300 0.005 0.000 1.136 350 R CA 1.671 57.775 56.100 0.006 0.000 0.959 350 R CB -0.395 29.913 30.300 0.014 0.000 0.856 350 R HN 0.128 nan 8.270 nan 0.000 0.437 351 S N -0.422 115.285 115.700 0.012 0.000 2.356 351 S HA -0.127 4.344 4.470 0.002 0.000 0.223 351 S C 1.967 176.566 174.600 -0.001 0.000 1.032 351 S CA 1.236 59.444 58.200 0.014 0.000 1.005 351 S CB -0.253 62.965 63.200 0.030 0.000 0.867 351 S HN 0.516 nan 8.310 nan 0.000 0.449 352 A N 0.940 123.749 122.820 -0.020 0.000 1.972 352 A HA 0.081 4.402 4.320 0.002 0.000 0.219 352 A C 2.098 179.661 177.584 -0.034 0.000 1.169 352 A CA 1.290 53.302 52.037 -0.042 0.000 0.635 352 A CB -0.617 18.329 19.000 -0.090 0.000 0.810 352 A HN 0.589 nan 8.150 nan 0.000 0.446 353 L N -1.219 119.988 121.223 -0.028 0.000 2.558 353 L HA 0.025 4.366 4.340 0.002 0.000 0.225 353 L C 0.773 177.635 176.870 -0.012 0.000 1.128 353 L CA 0.188 55.014 54.840 -0.022 0.000 0.868 353 L CB -0.240 41.807 42.059 -0.020 0.000 1.006 353 L HN 0.476 nan 8.230 nan 0.000 0.454 354 N N 0.890 119.586 118.700 -0.007 0.000 2.727 354 N HA -0.187 4.554 4.740 0.002 0.000 0.249 354 N C -0.141 175.368 175.510 -0.001 0.000 1.048 354 N CA 0.759 53.809 53.050 -0.001 0.000 0.714 354 N CB -0.588 37.898 38.487 -0.001 0.000 0.959 354 N HN 0.357 nan 8.380 nan 0.000 0.544 355 A N 0.737 123.557 122.820 -0.000 0.000 2.328 355 A HA 0.573 4.894 4.320 0.002 0.000 0.284 355 A C 0.848 178.434 177.584 0.004 0.000 1.160 355 A CA -0.399 51.638 52.037 0.000 0.000 0.818 355 A CB 0.520 19.520 19.000 -0.001 0.000 1.087 355 A HN 0.502 nan 8.150 nan 0.000 0.504 356 R N 0.000 120.502 120.500 0.003 0.000 2.786 356 R HA 0.000 4.341 4.340 0.002 0.000 0.208 356 R CA 0.000 56.103 56.100 0.005 0.000 0.921 356 R CB 0.000 30.302 30.300 0.003 0.000 0.687 356 R HN 0.000 nan 8.270 nan 0.000 0.535