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 2x1e_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLHILCQGTP FEIGYEHGSA AKAVIARSID FAVDLIRGKT KKTDEELKQV DATA SEQUENCE LSQLGRVIEE RWPKYYEEIR GIAKGAERDV SEIVMLNTRT EFAYGLKAXX 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 0.000 176.214 176.300 -0.143 0.000 1.140 1 M CA 0.000 55.236 55.300 -0.107 0.000 0.988 1 M CB 0.000 32.537 32.600 -0.105 0.000 1.302 2 L N 4.826 125.986 121.223 -0.106 0.000 2.513 2 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 2 L C -0.913 175.900 176.870 -0.095 0.000 1.187 2 L CA 1.011 55.793 54.840 -0.097 0.000 0.895 2 L CB 0.140 42.147 42.059 -0.087 0.000 1.147 2 L HN 0.630 nan 8.230 nan 0.000 0.483 3 H N 6.160 125.103 119.070 -0.213 0.000 2.539 3 H HA 0.467 5.023 4.556 -0.000 0.000 0.332 3 H C -1.119 174.100 175.328 -0.182 0.000 1.031 3 H CA -1.012 54.897 56.048 -0.232 0.000 1.206 3 H CB 0.989 30.595 29.762 -0.261 0.000 1.446 3 H HN 0.640 nan 8.280 nan 0.000 0.496 4 I N 6.482 126.919 120.570 -0.221 0.000 2.389 4 I HA 0.086 4.256 4.170 -0.000 0.000 0.288 4 I C -0.671 175.263 176.117 -0.306 0.000 0.999 4 I CA -0.926 60.204 61.300 -0.284 0.000 1.129 4 I CB 1.821 39.695 38.000 -0.210 0.000 1.288 4 I HN 0.397 nan 8.210 nan 0.000 0.444 5 L N 7.920 128.942 121.223 -0.335 0.000 2.260 5 L HA 0.434 4.774 4.340 -0.000 0.000 0.289 5 L C -0.661 176.159 176.870 -0.083 0.000 1.057 5 L CA 0.211 54.937 54.840 -0.189 0.000 0.811 5 L CB 0.428 42.373 42.059 -0.190 0.000 1.184 5 L HN 0.643 nan 8.230 nan 0.000 0.429 6 C N 4.889 124.174 119.300 -0.026 0.000 2.303 6 C HA 0.718 5.178 4.460 -0.000 0.000 0.326 6 C C -0.091 174.926 174.990 0.046 0.000 1.285 6 C CA -0.625 58.404 59.018 0.018 0.000 1.675 6 C CB 0.686 28.448 27.740 0.037 0.000 2.289 6 C HN 0.834 nan 8.230 nan 0.000 0.512 7 Q N 1.432 121.264 119.800 0.052 0.000 2.421 7 Q HA 0.739 5.078 4.340 -0.000 0.000 0.280 7 Q C 0.222 176.262 176.000 0.067 0.000 1.085 7 Q CA -0.206 55.630 55.803 0.055 0.000 0.807 7 Q CB 2.499 31.261 28.738 0.040 0.000 1.405 7 Q HN 1.156 nan 8.270 nan 0.000 0.419 8 G N 0.473 109.312 108.800 0.064 0.000 2.418 8 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.206 8 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.206 8 G C -0.252 174.695 174.900 0.080 0.000 1.202 8 G CA -0.466 44.674 45.100 0.067 0.000 1.061 8 G HN 0.958 nan 8.290 nan 0.000 0.563 9 T N -0.174 114.436 114.554 0.093 0.000 2.813 9 T HA 0.525 4.875 4.350 -0.000 0.000 0.297 9 T C -0.889 173.893 174.700 0.137 0.000 1.036 9 T CA -0.007 62.157 62.100 0.107 0.000 1.044 9 T CB 1.343 70.281 68.868 0.116 0.000 0.993 9 T HN 0.336 nan 8.240 nan 0.000 0.535 10 P HA -0.084 nan 4.420 nan 0.000 0.215 10 P C 1.241 178.645 177.300 0.174 0.000 1.157 10 P CA 0.946 64.141 63.100 0.159 0.000 0.874 10 P CB -0.156 31.640 31.700 0.160 0.000 0.790 11 F N 0.681 120.674 119.950 0.071 0.000 2.134 11 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 11 F C 2.075 177.933 175.800 0.096 0.000 1.097 11 F CA 1.616 59.657 58.000 0.068 0.000 1.264 11 F CB -0.421 38.604 39.000 0.041 0.000 1.001 11 F HN -0.089 nan 8.300 nan 0.000 0.479 12 E N 0.404 120.770 120.200 0.278 0.000 2.077 12 E HA -0.212 4.137 4.350 -0.000 0.000 0.193 12 E C 2.293 178.971 176.600 0.129 0.000 0.989 12 E CA 1.666 58.185 56.400 0.198 0.000 0.800 12 E CB -0.261 29.537 29.700 0.162 0.000 0.746 12 E HN 0.476 nan 8.360 nan 0.000 0.452 13 I N 0.819 121.453 120.570 0.107 0.000 2.163 13 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 13 I C 2.502 178.662 176.117 0.073 0.000 1.085 13 I CA 1.387 62.743 61.300 0.094 0.000 1.347 13 I CB -0.479 37.587 38.000 0.110 0.000 1.044 13 I HN 0.191 nan 8.210 nan 0.000 0.408 14 G N -0.549 108.256 108.800 0.008 0.000 2.402 14 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.216 14 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.216 14 G C 1.637 176.452 174.900 -0.142 0.000 1.162 14 G CA 0.648 45.699 45.100 -0.082 0.000 0.777 14 G HN 0.389 nan 8.290 nan 0.000 0.539 15 Y N 1.314 121.437 120.300 -0.295 0.000 2.181 15 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 15 Y C 2.769 178.616 175.900 -0.089 0.000 1.146 15 Y CA 2.163 60.123 58.100 -0.233 0.000 1.164 15 Y CB -0.058 38.290 38.460 -0.186 0.000 0.982 15 Y HN 0.304 nan 8.280 nan 0.000 0.515 16 E N -0.609 119.630 120.200 0.064 0.000 2.038 16 E HA -0.277 4.072 4.350 -0.000 0.000 0.195 16 E C 2.223 178.798 176.600 -0.042 0.000 1.000 16 E CA 1.988 58.398 56.400 0.018 0.000 0.803 16 E CB -0.640 29.094 29.700 0.057 0.000 0.750 16 E HN 0.726 nan 8.360 nan 0.000 0.448 17 H N -1.328 117.664 119.070 -0.130 0.000 2.265 17 H HA -0.133 4.423 4.556 -0.000 0.000 0.295 17 H C 1.981 177.198 175.328 -0.185 0.000 1.084 17 H CA 1.365 57.329 56.048 -0.140 0.000 1.261 17 H CB -0.337 29.362 29.762 -0.105 0.000 1.360 17 H HN 0.304 nan 8.280 nan 0.000 0.487 18 G N -0.481 108.210 108.800 -0.183 0.000 2.421 18 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.216 18 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.216 18 G C 1.981 176.710 174.900 -0.285 0.000 1.171 18 G CA 1.225 46.150 45.100 -0.292 0.000 0.775 18 G HN 0.588 nan 8.290 nan 0.000 0.543 19 S N 1.062 116.505 115.700 -0.429 0.000 2.371 19 S HA 0.248 4.718 4.470 -0.000 0.000 0.224 19 S C 2.603 177.084 174.600 -0.198 0.000 1.029 19 S CA 1.352 59.316 58.200 -0.394 0.000 0.978 19 S CB -0.445 62.366 63.200 -0.648 0.000 0.833 19 S HN 0.560 nan 8.310 nan 0.000 0.466 20 A N 1.560 124.288 122.820 -0.152 0.000 1.969 20 A HA 0.538 4.858 4.320 -0.000 0.000 0.218 20 A C 2.081 179.622 177.584 -0.071 0.000 1.169 20 A CA 1.270 53.251 52.037 -0.095 0.000 0.635 20 A CB -0.830 18.117 19.000 -0.088 0.000 0.810 20 A HN 0.958 nan 8.150 nan 0.000 0.445 21 A N -1.032 121.759 122.820 -0.049 0.000 2.574 21 A HA 0.365 4.685 4.320 -0.000 0.000 0.283 21 A C 1.464 179.022 177.584 -0.043 0.000 1.270 21 A CA 0.516 52.538 52.037 -0.025 0.000 0.945 21 A CB -0.289 18.735 19.000 0.041 0.000 1.127 21 A HN 0.473 nan 8.150 nan 0.000 0.522 22 K N 0.548 120.904 120.400 -0.073 0.000 2.032 22 K HA -0.248 4.072 4.320 -0.000 0.000 0.218 22 K C 2.004 178.573 176.600 -0.051 0.000 1.054 22 K CA 1.963 58.203 56.287 -0.079 0.000 0.941 22 K CB -0.273 32.175 32.500 -0.086 0.000 0.720 22 K HN 0.442 nan 8.250 nan 0.000 0.449 23 A N 0.294 123.091 122.820 -0.039 0.000 1.969 23 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 23 A C 2.205 179.778 177.584 -0.017 0.000 1.169 23 A CA 1.656 53.678 52.037 -0.026 0.000 0.635 23 A CB -0.439 18.548 19.000 -0.022 0.000 0.810 23 A HN 0.216 nan 8.150 nan 0.000 0.445 24 V N 0.041 119.944 119.914 -0.018 0.000 2.358 24 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 24 V C 2.353 178.447 176.094 -0.001 0.000 1.047 24 V CA 1.825 64.121 62.300 -0.008 0.000 1.035 24 V CB -0.786 31.030 31.823 -0.011 0.000 0.658 24 V HN 0.553 nan 8.190 nan 0.000 0.452 25 I N 0.886 121.448 120.570 -0.014 0.000 2.286 25 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 25 I C 2.706 178.816 176.117 -0.012 0.000 1.115 25 I CA 1.469 62.755 61.300 -0.024 0.000 1.392 25 I CB -0.577 37.380 38.000 -0.072 0.000 1.065 25 I HN 0.280 nan 8.210 nan 0.000 0.418 26 A N 0.914 123.726 122.820 -0.014 0.000 1.908 26 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 26 A C 2.408 180.003 177.584 0.018 0.000 1.181 26 A CA 1.669 53.703 52.037 -0.004 0.000 0.627 26 A CB -0.575 18.420 19.000 -0.009 0.000 0.818 26 A HN 0.348 nan 8.150 nan 0.000 0.445 27 R N -0.560 119.956 120.500 0.026 0.000 2.092 27 R HA -0.044 4.296 4.340 -0.000 0.000 0.231 27 R C 2.501 178.859 176.300 0.097 0.000 1.119 27 R CA 1.384 57.516 56.100 0.053 0.000 0.970 27 R CB -0.437 29.887 30.300 0.040 0.000 0.864 27 R HN 0.494 nan 8.270 nan 0.000 0.440 28 S N 1.178 116.927 115.700 0.081 0.000 2.368 28 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 28 S C 1.989 176.676 174.600 0.145 0.000 1.030 28 S CA 1.109 59.384 58.200 0.125 0.000 0.999 28 S CB -0.149 63.098 63.200 0.078 0.000 0.844 28 S HN 0.207 nan 8.310 nan 0.000 0.459 29 I N 1.530 122.143 120.570 0.072 0.000 2.202 29 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 29 I C 2.071 178.210 176.117 0.037 0.000 1.091 29 I CA 1.121 62.443 61.300 0.038 0.000 1.368 29 I CB -0.427 37.574 38.000 0.002 0.000 1.058 29 I HN 0.155 nan 8.210 nan 0.000 0.410 30 D N 0.677 121.107 120.400 0.050 0.000 2.104 30 D HA -0.236 4.403 4.640 -0.000 0.000 0.194 30 D C 1.929 178.256 176.300 0.044 0.000 0.994 30 D CA 1.424 55.445 54.000 0.035 0.000 0.830 30 D CB -0.423 40.405 40.800 0.047 0.000 0.959 30 D HN 0.270 nan 8.370 nan 0.000 0.452 31 F N 1.498 121.443 119.950 -0.009 0.000 2.102 31 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 31 F C 2.208 177.999 175.800 -0.015 0.000 1.105 31 F CA 1.671 59.665 58.000 -0.009 0.000 1.239 31 F CB -0.274 38.751 39.000 0.042 0.000 0.991 31 F HN -0.058 nan 8.300 nan 0.000 0.474 32 A N -0.121 122.737 122.820 0.064 0.000 1.902 32 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 32 A C 2.313 179.794 177.584 -0.172 0.000 1.181 32 A CA 1.924 53.947 52.037 -0.025 0.000 0.623 32 A CB -1.409 17.639 19.000 0.081 0.000 0.818 32 A HN 0.296 nan 8.150 nan 0.000 0.443 33 V N 0.658 120.483 119.914 -0.149 0.000 2.295 33 V HA -0.259 3.860 4.120 -0.000 0.000 0.246 33 V C 2.199 178.171 176.094 -0.204 0.000 1.049 33 V CA 2.405 64.607 62.300 -0.164 0.000 1.024 33 V CB -0.779 30.976 31.823 -0.113 0.000 0.648 33 V HN 0.516 nan 8.190 nan 0.000 0.447 34 D N -0.335 119.912 120.400 -0.255 0.000 2.117 34 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 34 D C 1.939 178.006 176.300 -0.388 0.000 0.987 34 D CA 1.105 54.928 54.000 -0.295 0.000 0.829 34 D CB -0.302 40.315 40.800 -0.306 0.000 0.961 34 D HN 0.356 nan 8.370 nan 0.000 0.460 35 L N 0.687 121.565 121.223 -0.574 0.000 2.017 35 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 35 L C 2.154 178.869 176.870 -0.258 0.000 1.073 35 L CA 1.392 55.908 54.840 -0.539 0.000 0.745 35 L CB -0.414 41.262 42.059 -0.638 0.000 0.894 35 L HN -0.035 nan 8.230 nan 0.000 0.432 36 I N -0.808 119.650 120.570 -0.187 0.000 2.226 36 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 36 I C 2.656 178.729 176.117 -0.073 0.000 1.100 36 I CA 1.264 62.511 61.300 -0.088 0.000 1.374 36 I CB -0.299 37.610 38.000 -0.152 0.000 1.057 36 I HN 0.225 nan 8.210 nan 0.000 0.413 37 R N 0.471 120.905 120.500 -0.111 0.000 2.096 37 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 37 R C 2.391 178.648 176.300 -0.072 0.000 1.127 37 R CA 1.435 57.488 56.100 -0.079 0.000 0.968 37 R CB -0.660 29.586 30.300 -0.090 0.000 0.861 37 R HN 0.464 nan 8.270 nan 0.000 0.440 38 G N 1.193 109.926 108.800 -0.111 0.000 2.414 38 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 38 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 38 G C 1.350 176.210 174.900 -0.066 0.000 1.188 38 G CA 0.369 45.408 45.100 -0.101 0.000 0.783 38 G HN 0.091 nan 8.290 nan 0.000 0.537 39 K N 0.616 120.974 120.400 -0.071 0.000 2.097 39 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 39 K C 1.700 178.302 176.600 0.003 0.000 1.050 39 K CA 1.096 57.362 56.287 -0.035 0.000 0.938 39 K CB -0.452 32.018 32.500 -0.051 0.000 0.718 39 K HN 0.528 nan 8.250 nan 0.000 0.442 40 T N -1.476 113.089 114.554 0.019 0.000 2.912 40 T HA 0.337 4.687 4.350 -0.000 0.000 0.280 40 T C 0.420 175.139 174.700 0.031 0.000 0.989 40 T CA -0.725 61.404 62.100 0.047 0.000 0.995 40 T CB 1.748 70.674 68.868 0.096 0.000 1.077 40 T HN -0.111 nan 8.240 nan 0.000 0.531 41 K N 0.550 120.973 120.400 0.038 0.000 2.726 41 K HA 0.228 4.548 4.320 -0.000 0.000 0.209 41 K C -0.053 176.568 176.600 0.035 0.000 1.082 41 K CA -0.543 55.761 56.287 0.028 0.000 1.081 41 K CB 0.462 32.976 32.500 0.024 0.000 0.830 41 K HN 0.340 nan 8.250 nan 0.000 0.470 42 K N 1.741 122.170 120.400 0.049 0.000 2.144 42 K HA 0.129 4.449 4.320 -0.000 0.000 0.270 42 K C 0.586 177.212 176.600 0.042 0.000 1.005 42 K CA -0.164 56.157 56.287 0.056 0.000 0.932 42 K CB 1.281 33.836 32.500 0.092 0.000 1.021 42 K HN 0.161 nan 8.250 nan 0.000 0.462 43 T N -1.416 113.161 114.554 0.039 0.000 2.860 43 T HA 0.049 4.398 4.350 -0.000 0.000 0.299 43 T C 0.866 175.585 174.700 0.031 0.000 1.045 43 T CA -0.533 61.584 62.100 0.028 0.000 1.071 43 T CB 0.562 69.445 68.868 0.026 0.000 0.985 43 T HN 0.340 nan 8.240 nan 0.000 0.537 44 D N 0.185 120.595 120.400 0.017 0.000 2.149 44 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 44 D C 1.826 178.143 176.300 0.027 0.000 0.990 44 D CA 1.433 55.441 54.000 0.012 0.000 0.839 44 D CB -0.187 40.613 40.800 -0.001 0.000 0.948 44 D HN 0.901 nan 8.370 nan 0.000 0.460 45 E N 0.825 121.043 120.200 0.030 0.000 2.051 45 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 45 E C 1.807 178.439 176.600 0.053 0.000 0.991 45 E CA 1.065 57.487 56.400 0.037 0.000 0.799 45 E CB 0.117 29.835 29.700 0.030 0.000 0.748 45 E HN 0.288 nan 8.360 nan 0.000 0.449 46 E N 0.297 120.532 120.200 0.059 0.000 2.058 46 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 46 E C 2.316 178.989 176.600 0.121 0.000 0.997 46 E CA 1.285 57.731 56.400 0.077 0.000 0.801 46 E CB -0.117 29.626 29.700 0.072 0.000 0.746 46 E HN 0.334 nan 8.360 nan 0.000 0.450 47 L N 0.840 122.142 121.223 0.132 0.000 2.046 47 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 47 L C 2.400 179.389 176.870 0.198 0.000 1.077 47 L CA 1.298 56.265 54.840 0.212 0.000 0.747 47 L CB -0.324 41.793 42.059 0.098 0.000 0.896 47 L HN 0.030 nan 8.230 nan 0.000 0.432 48 K N -0.451 120.013 120.400 0.107 0.000 2.057 48 K HA -0.245 4.075 4.320 -0.000 0.000 0.207 48 K C 2.160 178.830 176.600 0.117 0.000 1.049 48 K CA 1.369 57.712 56.287 0.094 0.000 0.931 48 K CB -0.112 32.422 32.500 0.056 0.000 0.714 48 K HN 0.117 nan 8.250 nan 0.000 0.440 49 Q N 1.188 121.052 119.800 0.107 0.000 2.030 49 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 49 Q C 1.891 177.959 176.000 0.114 0.000 0.986 49 Q CA 1.795 57.655 55.803 0.094 0.000 0.843 49 Q CB -0.396 28.385 28.738 0.072 0.000 0.904 49 Q HN 0.081 nan 8.270 nan 0.000 0.420 50 V N 0.665 120.667 119.914 0.147 0.000 2.332 50 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 50 V C 2.319 178.532 176.094 0.198 0.000 1.055 50 V CA 1.684 64.060 62.300 0.127 0.000 1.038 50 V CB -0.782 31.096 31.823 0.091 0.000 0.651 50 V HN 0.402 nan 8.190 nan 0.000 0.450 51 L N 0.036 121.468 121.223 0.348 0.000 2.083 51 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 51 L C 2.656 179.652 176.870 0.210 0.000 1.083 51 L CA 2.281 57.339 54.840 0.363 0.000 0.752 51 L CB -0.812 41.413 42.059 0.278 0.000 0.899 51 L HN 0.352 nan 8.230 nan 0.000 0.433 52 S N -1.225 114.566 115.700 0.153 0.000 2.356 52 S HA -0.255 4.215 4.470 -0.000 0.000 0.223 52 S C 1.948 176.602 174.600 0.090 0.000 1.032 52 S CA 1.630 59.896 58.200 0.110 0.000 1.005 52 S CB -0.173 63.077 63.200 0.084 0.000 0.867 52 S HN 0.640 nan 8.310 nan 0.000 0.449 53 Q N 0.282 120.131 119.800 0.081 0.000 2.061 53 Q HA -0.090 4.249 4.340 -0.000 0.000 0.204 53 Q C 2.346 178.385 176.000 0.065 0.000 0.984 53 Q CA 1.796 57.631 55.803 0.054 0.000 0.846 53 Q CB -0.372 28.390 28.738 0.040 0.000 0.902 53 Q HN 0.522 nan 8.270 nan 0.000 0.421 54 L N -0.199 121.083 121.223 0.098 0.000 2.046 54 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 54 L C 2.420 179.385 176.870 0.158 0.000 1.077 54 L CA 1.118 56.035 54.840 0.128 0.000 0.747 54 L CB -0.838 41.312 42.059 0.153 0.000 0.896 54 L HN 0.359 nan 8.230 nan 0.000 0.432 55 G N -0.339 108.560 108.800 0.164 0.000 2.421 55 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.216 55 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.216 55 G C 1.732 176.630 174.900 -0.003 0.000 1.171 55 G CA 0.754 45.964 45.100 0.182 0.000 0.775 55 G HN 0.244 nan 8.290 nan 0.000 0.543 56 R N -0.254 120.232 120.500 -0.024 0.000 2.081 56 R HA -0.038 4.302 4.340 -0.000 0.000 0.235 56 R C 2.663 178.888 176.300 -0.124 0.000 1.131 56 R CA 1.391 57.427 56.100 -0.105 0.000 0.960 56 R CB -0.376 29.895 30.300 -0.049 0.000 0.856 56 R HN 0.259 nan 8.270 nan 0.000 0.436 57 V N 1.049 120.938 119.914 -0.042 0.000 2.295 57 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 57 V C 2.273 178.340 176.094 -0.044 0.000 1.049 57 V CA 1.942 64.215 62.300 -0.044 0.000 1.024 57 V CB -0.322 31.531 31.823 0.050 0.000 0.648 57 V HN 0.339 nan 8.190 nan 0.000 0.447 58 I N -0.145 120.506 120.570 0.136 0.000 2.226 58 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 58 I C 2.579 178.739 176.117 0.070 0.000 1.100 58 I CA 1.894 63.406 61.300 0.353 0.000 1.374 58 I CB -0.395 37.891 38.000 0.477 0.000 1.057 58 I HN 0.416 nan 8.210 nan 0.000 0.413 59 E N 1.284 121.255 120.200 -0.380 0.000 2.058 59 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 59 E C 2.018 178.451 176.600 -0.279 0.000 0.997 59 E CA 1.673 57.673 56.400 -0.667 0.000 0.801 59 E CB 0.053 29.101 29.700 -1.085 0.000 0.746 59 E HN 0.521 nan 8.360 nan 0.000 0.450 60 E N -0.301 119.741 120.200 -0.264 0.000 2.072 60 E HA -0.107 4.242 4.350 -0.000 0.000 0.190 60 E C 2.352 178.760 176.600 -0.320 0.000 0.982 60 E CA 0.645 56.902 56.400 -0.237 0.000 0.803 60 E CB 0.045 29.617 29.700 -0.212 0.000 0.755 60 E HN 0.198 nan 8.360 nan 0.000 0.453 61 R N -0.373 119.823 120.500 -0.507 0.000 2.112 61 R HA 0.035 4.375 4.340 -0.000 0.000 0.216 61 R C 0.496 176.169 176.300 -1.045 0.000 1.080 61 R CA 0.608 56.122 56.100 -0.977 0.000 0.996 61 R CB 0.402 29.660 30.300 -1.737 0.000 0.902 61 R HN 0.197 nan 8.270 nan 0.000 0.449 62 W N 1.461 122.763 121.300 0.003 0.000 2.104 62 W HA 0.301 4.961 4.660 -0.000 0.000 0.291 62 W C -2.327 174.195 176.519 0.004 0.000 0.936 62 W CA -2.156 55.173 57.345 -0.027 0.000 1.856 62 W CB 0.697 30.213 29.460 0.095 0.000 2.036 62 W HN -0.042 nan 8.180 nan 0.000 0.393 63 P HA -0.238 nan 4.420 nan 0.000 0.216 63 P C 1.765 179.165 177.300 0.167 0.000 1.150 63 P CA 1.950 65.128 63.100 0.129 0.000 0.843 63 P CB 0.394 32.120 31.700 0.043 0.000 0.787 64 K N -0.662 119.766 120.400 0.046 0.000 2.032 64 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 64 K C 2.067 178.751 176.600 0.141 0.000 1.048 64 K CA 1.518 57.812 56.287 0.011 0.000 0.927 64 K CB -0.455 31.940 32.500 -0.175 0.000 0.712 64 K HN 0.029 nan 8.250 nan 0.000 0.441 65 Y N -0.632 119.801 120.300 0.222 0.000 2.314 65 Y HA -0.154 4.396 4.550 -0.000 0.000 0.293 65 Y C 2.236 178.267 175.900 0.218 0.000 1.129 65 Y CA 0.594 58.807 58.100 0.188 0.000 1.201 65 Y CB -1.036 37.522 38.460 0.163 0.000 0.999 65 Y HN 0.183 nan 8.280 nan 0.000 0.541 66 Y N 1.255 121.731 120.300 0.292 0.000 2.181 66 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 66 Y C 2.090 178.101 175.900 0.184 0.000 1.146 66 Y CA 1.685 59.914 58.100 0.214 0.000 1.164 66 Y CB -0.297 38.272 38.460 0.182 0.000 0.982 66 Y HN 0.192 nan 8.280 nan 0.000 0.515 67 E N -0.179 120.155 120.200 0.223 0.000 2.085 67 E HA -0.285 4.064 4.350 -0.000 0.000 0.194 67 E C 2.136 178.809 176.600 0.123 0.000 0.994 67 E CA 1.504 58.022 56.400 0.197 0.000 0.801 67 E CB -0.195 29.648 29.700 0.238 0.000 0.743 67 E HN 0.605 nan 8.360 nan 0.000 0.453 68 E N 0.758 121.024 120.200 0.111 0.000 2.072 68 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 68 E C 2.083 178.638 176.600 -0.075 0.000 0.985 68 E CA 0.785 57.210 56.400 0.041 0.000 0.801 68 E CB -0.012 29.770 29.700 0.137 0.000 0.750 68 E HN 0.218 nan 8.360 nan 0.000 0.452 69 I N 0.607 121.138 120.570 -0.065 0.000 2.208 69 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 69 I C 2.656 178.634 176.117 -0.233 0.000 1.097 69 I CA 1.192 62.405 61.300 -0.145 0.000 1.363 69 I CB -0.224 37.712 38.000 -0.106 0.000 1.051 69 I HN 0.096 nan 8.210 nan 0.000 0.413 70 R N 0.456 120.788 120.500 -0.280 0.000 2.081 70 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 70 R C 2.427 178.567 176.300 -0.267 0.000 1.131 70 R CA 1.430 57.420 56.100 -0.185 0.000 0.960 70 R CB -0.734 29.554 30.300 -0.020 0.000 0.856 70 R HN 0.465 nan 8.270 nan 0.000 0.436 71 G N 1.327 109.761 108.800 -0.611 0.000 2.446 71 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 71 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 71 G C 1.451 176.056 174.900 -0.492 0.000 1.168 71 G CA 0.695 45.132 45.100 -1.106 0.000 0.771 71 G HN 0.167 nan 8.290 nan 0.000 0.551 72 I N 1.420 121.781 120.570 -0.349 0.000 2.163 72 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 72 I C 3.310 179.272 176.117 -0.259 0.000 1.085 72 I CA 1.043 62.148 61.300 -0.325 0.000 1.347 72 I CB -0.248 37.527 38.000 -0.374 0.000 1.044 72 I HN 0.254 nan 8.210 nan 0.000 0.408 73 A N 0.641 123.341 122.820 -0.199 0.000 1.902 73 A HA -0.275 4.044 4.320 -0.000 0.000 0.217 73 A C 2.277 179.814 177.584 -0.078 0.000 1.181 73 A CA 2.083 54.047 52.037 -0.121 0.000 0.623 73 A CB -0.476 18.474 19.000 -0.082 0.000 0.818 73 A HN 0.247 nan 8.150 nan 0.000 0.443 74 K N -0.130 120.239 120.400 -0.051 0.000 2.026 74 K HA -0.048 4.272 4.320 -0.000 0.000 0.208 74 K C 1.951 178.565 176.600 0.024 0.000 1.048 74 K CA 1.834 58.167 56.287 0.076 0.000 0.929 74 K CB -1.051 31.603 32.500 0.258 0.000 0.713 74 K HN 0.313 nan 8.250 nan 0.000 0.439 75 G N -0.380 108.312 108.800 -0.179 0.000 2.418 75 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 75 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 75 G C 1.465 176.179 174.900 -0.310 0.000 1.158 75 G CA 0.932 45.701 45.100 -0.551 0.000 0.771 75 G HN 0.439 nan 8.290 nan 0.000 0.545 76 A N -0.238 122.453 122.820 -0.215 0.000 2.251 76 A HA 0.360 4.680 4.320 -0.000 0.000 0.209 76 A C 0.893 178.424 177.584 -0.088 0.000 1.187 76 A CA 0.906 52.854 52.037 -0.149 0.000 0.823 76 A CB -0.219 18.692 19.000 -0.149 0.000 0.846 76 A HN 0.466 nan 8.150 nan 0.000 0.486 77 E N -0.361 119.801 120.200 -0.063 0.000 2.320 77 E HA -0.182 4.168 4.350 -0.000 0.000 0.234 77 E C -0.557 176.030 176.600 -0.022 0.000 1.183 77 E CA 0.364 56.751 56.400 -0.022 0.000 0.713 77 E CB -0.881 28.812 29.700 -0.011 0.000 1.226 77 E HN 0.501 nan 8.360 nan 0.000 0.382 78 R N 0.453 120.935 120.500 -0.031 0.000 2.888 78 R HA 0.366 4.706 4.340 -0.000 0.000 0.266 78 R C -0.200 176.091 176.300 -0.015 0.000 1.020 78 R CA -0.967 55.118 56.100 -0.026 0.000 0.963 78 R CB 0.723 30.997 30.300 -0.043 0.000 1.197 78 R HN -0.032 nan 8.270 nan 0.000 0.481 79 D N 0.599 120.996 120.400 -0.005 0.000 2.399 79 D HA 0.003 4.643 4.640 -0.000 0.000 0.241 79 D C 1.469 177.771 176.300 0.003 0.000 1.133 79 D CA -0.051 53.955 54.000 0.009 0.000 0.890 79 D CB 1.251 42.061 40.800 0.018 0.000 1.201 79 D HN 0.089 nan 8.370 nan 0.000 0.432 80 V N 2.279 122.202 119.914 0.014 0.000 2.324 80 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 80 V C 2.491 178.608 176.094 0.038 0.000 1.060 80 V CA 2.396 64.697 62.300 0.001 0.000 1.042 80 V CB -0.820 31.012 31.823 0.016 0.000 0.650 80 V HN 0.666 nan 8.190 nan 0.000 0.450 81 S N 0.101 115.841 115.700 0.067 0.000 2.383 81 S HA -0.269 4.201 4.470 -0.000 0.000 0.229 81 S C 1.779 176.408 174.600 0.049 0.000 1.030 81 S CA 1.719 59.969 58.200 0.084 0.000 1.002 81 S CB -0.544 62.703 63.200 0.079 0.000 0.829 81 S HN 0.746 nan 8.310 nan 0.000 0.467 82 E N 0.881 121.090 120.200 0.015 0.000 2.077 82 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 82 E C 1.962 178.555 176.600 -0.012 0.000 0.989 82 E CA 1.238 57.632 56.400 -0.010 0.000 0.800 82 E CB -0.257 29.431 29.700 -0.021 0.000 0.746 82 E HN 0.484 nan 8.360 nan 0.000 0.452 83 I N 0.808 121.366 120.570 -0.020 0.000 2.439 83 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 83 I C 2.417 178.542 176.117 0.012 0.000 1.139 83 I CA 0.787 62.065 61.300 -0.037 0.000 1.438 83 I CB -1.098 36.849 38.000 -0.088 0.000 1.085 83 I HN -0.019 nan 8.210 nan 0.000 0.427 84 V N 0.841 120.794 119.914 0.064 0.000 2.287 84 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 84 V C 2.666 178.853 176.094 0.154 0.000 1.053 84 V CA 1.991 64.376 62.300 0.141 0.000 1.027 84 V CB -0.597 31.352 31.823 0.210 0.000 0.646 84 V HN 0.410 nan 8.190 nan 0.000 0.447 85 M N -0.492 119.173 119.600 0.110 0.000 2.082 85 M HA -0.236 4.244 4.480 -0.000 0.000 0.258 85 M C 2.167 178.513 176.300 0.077 0.000 1.069 85 M CA 2.137 57.477 55.300 0.066 0.000 1.102 85 M CB -0.259 32.284 32.600 -0.096 0.000 1.336 85 M HN 0.281 nan 8.290 nan 0.000 0.404 86 L N 0.063 121.306 121.223 0.034 0.000 2.042 86 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 86 L C 2.010 178.865 176.870 -0.024 0.000 1.076 86 L CA 1.330 56.180 54.840 0.016 0.000 0.749 86 L CB -1.055 40.997 42.059 -0.012 0.000 0.893 86 L HN 0.448 nan 8.230 nan 0.000 0.432 87 N N -0.554 118.145 118.700 -0.003 0.000 2.515 87 N HA -0.060 4.680 4.740 -0.000 0.000 0.185 87 N C 1.106 176.663 175.510 0.078 0.000 1.109 87 N CA 1.439 54.471 53.050 -0.030 0.000 0.903 87 N CB 0.229 38.720 38.487 0.008 0.000 0.969 87 N HN 0.456 nan 8.380 nan 0.000 0.450 88 T N -3.188 111.476 114.554 0.182 0.000 3.252 88 T HA 0.265 4.615 4.350 -0.000 0.000 0.286 88 T C 1.295 176.250 174.700 0.425 0.000 1.013 88 T CA -0.530 61.745 62.100 0.291 0.000 0.914 88 T CB 0.644 69.700 68.868 0.314 0.000 1.131 88 T HN -0.044 nan 8.240 nan 0.000 0.529 89 R N 1.392 122.096 120.500 0.340 0.000 2.105 89 R HA -0.112 4.227 4.340 -0.000 0.000 0.239 89 R C 1.872 178.474 176.300 0.504 0.000 1.135 89 R CA 2.023 58.361 56.100 0.398 0.000 0.967 89 R CB -0.727 29.750 30.300 0.296 0.000 0.861 89 R HN 0.396 nan 8.270 nan 0.000 0.442 90 T N 0.651 115.523 114.554 0.531 0.000 2.708 90 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 90 T C 1.378 176.357 174.700 0.464 0.000 1.037 90 T CA 1.593 64.046 62.100 0.588 0.000 1.146 90 T CB -0.179 68.986 68.868 0.493 0.000 0.865 90 T HN 0.313 nan 8.240 nan 0.000 0.435 91 E N 0.525 120.918 120.200 0.322 0.000 2.160 91 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 91 E C 1.661 178.285 176.600 0.041 0.000 0.991 91 E CA 1.013 57.495 56.400 0.138 0.000 0.810 91 E CB -0.428 29.280 29.700 0.013 0.000 0.742 91 E HN 0.551 nan 8.360 nan 0.000 0.466 92 F N 0.017 120.078 119.950 0.185 0.000 2.094 92 F HA 0.045 4.572 4.527 -0.000 0.000 0.291 92 F C 2.339 178.208 175.800 0.115 0.000 1.109 92 F CA 1.043 59.122 58.000 0.132 0.000 1.221 92 F CB -0.738 38.326 39.000 0.105 0.000 1.014 92 F HN 0.016 nan 8.300 nan 0.000 0.473 93 A N -1.355 121.667 122.820 0.337 0.000 1.969 93 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 93 A C 1.636 179.164 177.584 -0.094 0.000 1.169 93 A CA 1.557 53.654 52.037 0.101 0.000 0.635 93 A CB -0.919 18.129 19.000 0.081 0.000 0.810 93 A HN 0.498 nan 8.150 nan 0.000 0.445 94 Y N -1.461 118.951 120.300 0.187 0.000 2.506 94 Y HA 0.237 4.787 4.550 -0.000 0.000 0.287 94 Y C 2.688 178.650 175.900 0.103 0.000 1.147 94 Y CA 0.246 58.421 58.100 0.125 0.000 1.241 94 Y CB -0.662 37.841 38.460 0.072 0.000 1.279 94 Y HN 0.257 nan 8.280 nan 0.000 0.527 95 G N -0.002 108.951 108.800 0.255 0.000 2.443 95 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.219 95 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.219 95 G C 1.123 176.081 174.900 0.096 0.000 1.131 95 G CA 0.796 45.984 45.100 0.147 0.000 0.775 95 G HN 0.324 nan 8.290 nan 0.000 0.547 96 L N -0.105 121.176 121.223 0.098 0.000 3.066 96 L HA 0.291 4.631 4.340 -0.000 0.000 0.265 96 L C 0.807 177.729 176.870 0.087 0.000 1.232 96 L CA -0.425 54.464 54.840 0.081 0.000 1.031 96 L CB 0.444 42.550 42.059 0.079 0.000 1.379 96 L HN 0.020 nan 8.230 nan 0.000 0.563 97 K N 1.747 122.199 120.400 0.087 0.000 2.489 97 K HA 0.230 4.550 4.320 -0.000 0.000 0.278 97 K C 0.483 177.120 176.600 0.062 0.000 1.000 97 K CA 0.036 56.361 56.287 0.064 0.000 1.012 97 K CB 0.913 33.454 32.500 0.069 0.000 0.903 97 K HN 0.172 nan 8.250 nan 0.000 0.485 105 T N 2.161 116.893 114.554 0.296 0.000 2.886 105 T HA 0.883 5.233 4.350 -0.000 0.000 0.292 105 T C -0.902 174.047 174.700 0.415 0.000 1.012 105 T CA -0.645 61.665 62.100 0.350 0.000 0.982 105 T CB 1.817 70.873 68.868 0.313 0.000 1.018 105 T HN 1.014 nan 8.240 nan 0.000 0.451 106 A N 2.378 125.525 122.820 0.544 0.000 2.515 106 A HA 0.809 5.128 4.320 -0.000 0.000 0.298 106 A C -2.186 175.724 177.584 0.544 0.000 1.059 106 A CA -0.716 51.608 52.037 0.478 0.000 0.698 106 A CB 1.566 20.788 19.000 0.371 0.000 1.289 106 A HN 0.807 nan 8.150 nan 0.000 0.404 107 Y N 0.371 120.854 120.300 0.305 0.000 2.406 107 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 107 Y C -0.942 175.072 175.900 0.189 0.000 0.975 107 Y CA -0.922 57.328 58.100 0.250 0.000 1.056 107 Y CB 1.981 40.560 38.460 0.199 0.000 1.210 107 Y HN 1.000 nan 8.280 nan 0.000 0.448 108 C N 7.501 126.709 119.300 -0.154 0.000 2.442 108 C HA 0.406 4.866 4.460 -0.000 0.000 0.335 108 C C -0.746 174.150 174.990 -0.156 0.000 1.134 108 C CA -0.450 58.566 59.018 -0.004 0.000 1.344 108 C CB 0.327 28.131 27.740 0.106 0.000 1.956 108 C HN 0.956 nan 8.230 nan 0.000 0.438 109 Q N 3.705 123.531 119.800 0.044 0.000 2.311 109 Q HA 0.522 4.862 4.340 -0.000 0.000 0.272 109 Q C -0.907 175.103 176.000 0.017 0.000 1.012 109 Q CA 0.625 56.459 55.803 0.051 0.000 0.891 109 Q CB 0.763 29.582 28.738 0.135 0.000 1.201 109 Q HN 0.679 nan 8.270 nan 0.000 0.391 110 L N 3.817 125.035 121.223 -0.008 0.000 2.424 110 L HA 0.351 4.690 4.340 -0.000 0.000 0.258 110 L C -1.734 175.132 176.870 -0.006 0.000 0.995 110 L CA -1.785 53.047 54.840 -0.014 0.000 0.821 110 L CB 2.218 44.257 42.059 -0.033 0.000 1.383 110 L HN 0.520 nan 8.230 nan 0.000 0.410 111 P HA -0.042 nan 4.420 nan 0.000 0.223 111 P C 0.408 177.709 177.300 0.001 0.000 1.151 111 P CA 0.983 64.082 63.100 -0.003 0.000 0.787 111 P CB 0.285 31.978 31.700 -0.012 0.000 0.788 112 N N -0.125 118.571 118.700 -0.007 0.000 2.398 112 N HA 0.167 4.907 4.740 -0.000 0.000 0.188 112 N C 0.881 176.400 175.510 0.016 0.000 1.122 112 N CA 0.989 54.040 53.050 0.002 0.000 0.866 112 N CB 0.428 38.910 38.487 -0.008 0.000 0.970 112 N HN 0.203 nan 8.380 nan 0.000 0.462 113 G N -0.138 108.672 108.800 0.016 0.000 2.697 113 G HA2 0.179 4.139 3.960 -0.000 0.000 0.684 113 G HA3 0.179 4.139 3.960 -0.000 0.000 0.684 113 G C -0.643 174.258 174.900 0.002 0.000 1.274 113 G CA -0.543 44.578 45.100 0.036 0.000 0.806 113 G HN 0.295 nan 8.290 nan 0.000 0.644 114 A N 1.255 124.077 122.820 0.004 0.000 2.483 114 A HA 0.661 4.980 4.320 -0.000 0.000 0.238 114 A C 0.556 178.066 177.584 -0.123 0.000 1.070 114 A CA 0.379 52.337 52.037 -0.132 0.000 0.770 114 A CB 0.259 19.108 19.000 -0.250 0.000 1.008 114 A HN 1.387 nan 8.150 nan 0.000 0.497 115 L N 1.407 122.406 121.223 -0.373 0.000 2.365 115 L HA 0.594 4.934 4.340 -0.000 0.000 0.273 115 L C 0.032 176.591 176.870 -0.518 0.000 1.000 115 L CA -0.290 54.218 54.840 -0.554 0.000 0.819 115 L CB 1.819 43.255 42.059 -1.040 0.000 1.284 115 L HN 0.915 nan 8.230 nan 0.000 0.418 116 Q N 1.521 121.218 119.800 -0.173 0.000 2.389 116 Q HA 0.795 5.135 4.340 -0.000 0.000 0.277 116 Q C -1.165 175.046 176.000 0.351 0.000 1.082 116 Q CA -0.568 55.393 55.803 0.263 0.000 0.810 116 Q CB 3.101 32.160 28.738 0.536 0.000 1.374 116 Q HN 0.804 nan 8.270 nan 0.000 0.422 117 G N 1.424 110.462 108.800 0.398 0.000 2.495 117 G HA2 0.442 4.401 3.960 -0.000 0.000 0.294 117 G HA3 0.442 4.401 3.960 -0.000 0.000 0.294 117 G C -2.141 172.528 174.900 -0.385 0.000 1.397 117 G CA -0.449 44.577 45.100 -0.124 0.000 0.790 117 G HN 0.695 nan 8.290 nan 0.000 0.486 118 Q N -0.680 118.611 119.800 -0.848 0.000 2.482 118 Q HA 0.563 4.903 4.340 -0.000 0.000 0.286 118 Q C -1.843 173.634 176.000 -0.871 0.000 1.007 118 Q CA -1.041 54.306 55.803 -0.759 0.000 0.801 118 Q CB 1.732 30.352 28.738 -0.197 0.000 1.455 118 Q HN 0.359 nan 8.270 nan 0.000 0.398 119 N N 1.611 120.024 118.700 -0.479 0.000 2.438 119 N HA 0.281 5.021 4.740 -0.000 0.000 0.282 119 N C -1.720 173.679 175.510 -0.185 0.000 1.037 119 N CA -0.285 52.599 53.050 -0.276 0.000 0.942 119 N CB 1.111 39.586 38.487 -0.021 0.000 1.136 119 N HN 0.600 nan 8.380 nan 0.000 0.481 120 W N 3.589 124.553 121.300 -0.559 0.000 2.335 120 W HA 0.278 4.938 4.660 -0.000 0.000 0.307 120 W C -1.436 174.969 176.519 -0.191 0.000 1.117 120 W CA -0.430 56.646 57.345 -0.450 0.000 1.228 120 W CB 0.833 29.780 29.460 -0.854 0.000 1.240 120 W HN 0.395 nan 8.180 nan 0.000 0.468 121 D N 6.491 126.501 120.400 -0.650 0.000 2.308 121 D HA 0.503 5.143 4.640 -0.000 0.000 0.242 121 D C -1.011 174.950 176.300 -0.566 0.000 1.059 121 D CA -0.003 53.719 54.000 -0.464 0.000 0.830 121 D CB 2.105 42.750 40.800 -0.258 0.000 1.161 121 D HN 0.228 nan 8.370 nan 0.000 0.494 122 F N 0.487 120.098 119.950 -0.565 0.000 2.877 122 F HA 0.369 4.896 4.527 -0.000 0.000 0.319 122 F C -1.210 174.434 175.800 -0.260 0.000 1.174 122 F CA -1.479 56.249 58.000 -0.454 0.000 0.903 122 F CB 0.680 39.478 39.000 -0.336 0.000 1.357 122 F HN 0.089 nan 8.300 nan 0.000 0.472 123 F N 1.987 121.639 119.950 -0.497 0.000 2.608 123 F HA 0.093 4.619 4.527 -0.000 0.000 0.380 123 F C 1.642 177.368 175.800 -0.122 0.000 1.083 123 F CA 0.679 58.524 58.000 -0.258 0.000 1.266 123 F CB 0.031 38.909 39.000 -0.202 0.000 1.076 123 F HN 0.317 nan 8.300 nan 0.000 0.574 124 S N 2.231 117.966 115.700 0.058 0.000 2.419 124 S HA -0.221 4.249 4.470 -0.000 0.000 0.235 124 S C 2.220 176.813 174.600 -0.011 0.000 1.019 124 S CA 1.059 59.260 58.200 0.001 0.000 0.982 124 S CB -0.289 62.854 63.200 -0.095 0.000 0.789 124 S HN 0.780 nan 8.310 nan 0.000 0.490 125 A N 1.320 124.128 122.820 -0.020 0.000 2.070 125 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 125 A C 2.284 179.770 177.584 -0.163 0.000 1.159 125 A CA 1.827 53.827 52.037 -0.061 0.000 0.656 125 A CB -0.949 18.075 19.000 0.040 0.000 0.800 125 A HN 0.636 nan 8.150 nan 0.000 0.453 126 T N -2.976 111.445 114.554 -0.221 0.000 3.081 126 T HA 0.055 4.405 4.350 -0.000 0.000 0.255 126 T C 1.679 176.404 174.700 0.041 0.000 1.113 126 T CA 1.056 63.066 62.100 -0.149 0.000 1.082 126 T CB -0.079 68.776 68.868 -0.022 0.000 0.939 126 T HN 0.491 nan 8.240 nan 0.000 0.506 127 K N 1.991 122.434 120.400 0.072 0.000 2.032 127 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 127 K C 2.350 178.984 176.600 0.058 0.000 1.048 127 K CA 1.859 58.211 56.287 0.107 0.000 0.927 127 K CB -0.195 32.365 32.500 0.099 0.000 0.712 127 K HN 0.728 nan 8.250 nan 0.000 0.441 128 E N -0.369 119.847 120.200 0.025 0.000 2.463 128 E HA -0.157 4.193 4.350 -0.000 0.000 0.201 128 E C 0.647 177.249 176.600 0.004 0.000 1.045 128 E CA 0.989 57.395 56.400 0.011 0.000 0.872 128 E CB -0.043 29.659 29.700 0.004 0.000 0.797 128 E HN 0.272 nan 8.360 nan 0.000 0.538 129 N N 0.498 119.202 118.700 0.008 0.000 2.236 129 N HA 0.156 4.896 4.740 -0.000 0.000 0.196 129 N C -0.176 175.331 175.510 -0.006 0.000 1.114 129 N CA 0.074 53.127 53.050 0.004 0.000 0.859 129 N CB 0.422 38.916 38.487 0.011 0.000 0.982 129 N HN 0.194 nan 8.380 nan 0.000 0.493 130 L N 2.090 123.309 121.223 -0.006 0.000 2.410 130 L HA 0.322 4.662 4.340 -0.000 0.000 0.273 130 L C 0.542 177.351 176.870 -0.103 0.000 1.152 130 L CA -0.167 54.636 54.840 -0.062 0.000 0.855 130 L CB 0.274 42.296 42.059 -0.062 0.000 1.129 130 L HN 0.066 nan 8.230 nan 0.000 0.463 131 I N 1.048 121.520 120.570 -0.162 0.000 3.145 131 I HA 0.725 4.895 4.170 -0.000 0.000 0.313 131 I C -0.779 175.178 176.117 -0.267 0.000 1.122 131 I CA -1.214 59.975 61.300 -0.184 0.000 0.987 131 I CB 2.335 40.229 38.000 -0.176 0.000 1.236 131 I HN 0.612 nan 8.210 nan 0.000 0.453 132 R N 3.046 123.395 120.500 -0.251 0.000 2.670 132 R HA 0.818 5.158 4.340 -0.000 0.000 0.289 132 R C -2.050 174.103 176.300 -0.245 0.000 0.965 132 R CA -0.863 55.061 56.100 -0.293 0.000 0.899 132 R CB 1.904 32.059 30.300 -0.243 0.000 1.173 132 R HN 0.754 nan 8.270 nan 0.000 0.456 133 L N 2.135 123.114 121.223 -0.408 0.000 2.346 133 L HA 0.490 4.830 4.340 -0.000 0.000 0.276 133 L C -0.520 176.309 176.870 -0.068 0.000 1.006 133 L CA -0.984 53.661 54.840 -0.326 0.000 0.817 133 L CB 2.602 44.267 42.059 -0.657 0.000 1.272 133 L HN 0.761 nan 8.230 nan 0.000 0.421 134 T N 3.939 118.545 114.554 0.085 0.000 2.770 134 T HA 0.590 4.939 4.350 -0.000 0.000 0.283 134 T C -0.202 174.576 174.700 0.130 0.000 0.988 134 T CA -0.211 61.992 62.100 0.172 0.000 0.957 134 T CB 0.893 69.908 68.868 0.244 0.000 0.930 134 T HN 0.271 nan 8.240 nan 0.000 0.443 135 I N 3.826 124.511 120.570 0.193 0.000 2.382 135 I HA 0.423 4.592 4.170 -0.000 0.000 0.286 135 I C 0.248 176.446 176.117 0.136 0.000 1.002 135 I CA -0.764 60.632 61.300 0.161 0.000 1.135 135 I CB 1.388 39.513 38.000 0.208 0.000 1.288 135 I HN 0.306 nan 8.210 nan 0.000 0.448 136 R N 6.269 126.830 120.500 0.101 0.000 2.265 136 R HA 0.490 4.830 4.340 -0.000 0.000 0.328 136 R C -1.020 175.321 176.300 0.069 0.000 0.969 136 R CA -0.629 55.519 56.100 0.080 0.000 0.832 136 R CB 1.526 31.867 30.300 0.068 0.000 1.139 136 R HN 0.570 nan 8.270 nan 0.000 0.457 137 Q N 1.653 121.489 119.800 0.059 0.000 2.310 137 Q HA 0.415 4.755 4.340 -0.000 0.000 0.270 137 Q C -0.761 175.259 176.000 0.035 0.000 1.025 137 Q CA -0.834 55.001 55.803 0.054 0.000 0.772 137 Q CB 2.439 31.216 28.738 0.063 0.000 1.253 137 Q HN 0.662 nan 8.270 nan 0.000 0.450 138 A N 1.629 124.467 122.820 0.030 0.000 2.580 138 A HA 0.348 4.668 4.320 -0.000 0.000 0.244 138 A C 1.371 178.962 177.584 0.012 0.000 1.045 138 A CA 1.197 53.245 52.037 0.019 0.000 0.761 138 A CB -0.695 18.316 19.000 0.018 0.000 0.962 138 A HN 1.190 nan 8.150 nan 0.000 0.512 139 G N 1.098 109.899 108.800 0.002 0.000 2.205 139 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.261 139 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.261 139 G C 0.062 174.956 174.900 -0.009 0.000 0.980 139 G CA 0.507 45.605 45.100 -0.005 0.000 0.632 139 G HN 0.870 nan 8.290 nan 0.000 0.533 140 L N 0.626 121.846 121.223 -0.006 0.000 2.333 140 L HA 0.509 4.848 4.340 -0.000 0.000 0.269 140 L C -2.133 174.715 176.870 -0.036 0.000 1.010 140 L CA -2.541 52.292 54.840 -0.013 0.000 0.818 140 L CB 1.939 44.004 42.059 0.010 0.000 1.306 140 L HN -0.193 nan 8.230 nan 0.000 0.430 141 P HA -0.018 nan 4.420 nan 0.000 0.264 141 P C -0.600 176.641 177.300 -0.098 0.000 1.183 141 P CA 0.151 63.175 63.100 -0.127 0.000 0.763 141 P CB 0.304 31.913 31.700 -0.153 0.000 0.807 142 T N 4.254 118.729 114.554 -0.132 0.000 2.901 142 T HA 0.279 4.629 4.350 -0.000 0.000 0.301 142 T C 0.577 175.312 174.700 0.059 0.000 1.012 142 T CA 0.232 62.333 62.100 0.000 0.000 1.135 142 T CB -0.213 68.701 68.868 0.076 0.000 0.936 142 T HN 0.172 nan 8.240 nan 0.000 0.539 143 I N 3.138 123.833 120.570 0.208 0.000 2.441 143 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 143 I C 0.185 176.581 176.117 0.465 0.000 0.994 143 I CA -0.785 60.695 61.300 0.300 0.000 1.144 143 I CB 1.664 39.780 38.000 0.194 0.000 1.314 143 I HN 0.328 nan 8.210 nan 0.000 0.445 144 K N 6.645 127.375 120.400 0.550 0.000 2.579 144 K HA 0.555 4.875 4.320 -0.000 0.000 0.250 144 K C -1.449 175.480 176.600 0.549 0.000 0.952 144 K CA -0.490 56.059 56.287 0.436 0.000 0.857 144 K CB 1.716 34.342 32.500 0.210 0.000 1.123 144 K HN 0.494 nan 8.250 nan 0.000 0.433 145 F N 0.685 120.704 119.950 0.115 0.000 2.645 145 F HA 0.591 5.118 4.527 -0.000 0.000 0.310 145 F C -1.308 174.457 175.800 -0.058 0.000 1.102 145 F CA -1.545 56.489 58.000 0.056 0.000 0.952 145 F CB 0.751 39.781 39.000 0.049 0.000 1.326 145 F HN 0.050 nan 8.300 nan 0.000 0.456 146 I N 2.079 122.583 120.570 -0.110 0.000 2.331 146 I HA 0.546 4.716 4.170 -0.000 0.000 0.292 146 I C 0.113 176.056 176.117 -0.291 0.000 0.998 146 I CA -0.098 60.980 61.300 -0.370 0.000 1.267 146 I CB 0.776 38.340 38.000 -0.727 0.000 1.386 146 I HN 0.875 nan 8.210 nan 0.000 0.476 147 T N 4.994 119.347 114.554 -0.336 0.000 2.864 147 T HA 0.385 4.735 4.350 -0.000 0.000 0.299 147 T C -0.672 173.942 174.700 -0.143 0.000 1.166 147 T CA -0.587 61.406 62.100 -0.180 0.000 1.007 147 T CB 1.558 70.347 68.868 -0.131 0.000 1.219 147 T HN 0.571 nan 8.240 nan 0.000 0.506 148 E N 1.398 121.567 120.200 -0.053 0.000 2.313 148 E HA 0.529 4.879 4.350 -0.000 0.000 0.276 148 E C -0.057 176.555 176.600 0.021 0.000 1.031 148 E CA -0.593 55.806 56.400 -0.001 0.000 0.857 148 E CB 1.057 30.788 29.700 0.052 0.000 1.040 148 E HN 0.739 nan 8.360 nan 0.000 0.408 149 A N 2.483 125.323 122.820 0.034 0.000 2.566 149 A HA 0.340 4.660 4.320 -0.000 0.000 0.245 149 A C 1.273 178.920 177.584 0.105 0.000 1.056 149 A CA 0.871 52.979 52.037 0.119 0.000 0.757 149 A CB -0.477 18.561 19.000 0.063 0.000 0.979 149 A HN 0.868 nan 8.150 nan 0.000 0.508 150 G N 1.519 110.410 108.800 0.151 0.000 2.218 150 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 150 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 150 G C 0.093 174.941 174.900 -0.087 0.000 0.994 150 G CA 0.066 45.047 45.100 -0.199 0.000 0.637 150 G HN 0.815 nan 8.290 nan 0.000 0.505 151 I N 2.240 122.862 120.570 0.088 0.000 2.336 151 I HA 0.412 4.582 4.170 -0.000 0.000 0.292 151 I C 1.765 178.003 176.117 0.202 0.000 0.991 151 I CA -0.741 60.587 61.300 0.047 0.000 1.227 151 I CB 1.408 39.364 38.000 -0.072 0.000 1.366 151 I HN 0.256 nan 8.210 nan 0.000 0.466 152 I N 2.104 122.751 120.570 0.128 0.000 3.793 152 I HA 0.403 4.573 4.170 -0.000 0.000 0.315 152 I C 0.606 176.759 176.117 0.059 0.000 1.275 152 I CA 0.084 61.488 61.300 0.174 0.000 1.214 152 I CB 0.175 38.199 38.000 0.040 0.000 1.018 152 I HN 0.516 nan 8.210 nan 0.000 0.439 153 G N 0.957 109.762 108.800 0.008 0.000 2.741 153 G HA2 0.550 4.510 3.960 -0.000 0.000 0.293 153 G HA3 0.550 4.510 3.960 -0.000 0.000 0.293 153 G C -1.123 173.743 174.900 -0.056 0.000 1.457 153 G CA -0.424 44.531 45.100 -0.242 0.000 1.098 153 G HN 0.121 nan 8.290 nan 0.000 0.536 154 K N 0.748 121.079 120.400 -0.114 0.000 1.801 154 K HA 0.628 4.948 4.320 -0.000 0.000 0.309 154 K C -1.095 175.480 176.600 -0.042 0.000 0.932 154 K CA -0.171 56.099 56.287 -0.029 0.000 0.487 154 K CB 0.657 33.238 32.500 0.135 0.000 3.409 154 K HN 0.410 nan 8.250 nan 0.000 1.215 155 V N 1.432 121.421 119.914 0.125 0.000 2.378 155 V HA 0.825 4.945 4.120 -0.000 0.000 0.288 155 V C 0.111 176.387 176.094 0.303 0.000 1.016 155 V CA 0.241 62.653 62.300 0.186 0.000 0.840 155 V CB 0.495 32.468 31.823 0.250 0.000 0.994 155 V HN 0.826 nan 8.190 nan 0.000 0.431 156 G N 4.233 113.230 108.800 0.328 0.000 2.364 156 G HA2 0.600 4.559 3.960 -0.000 0.000 0.286 156 G HA3 0.600 4.559 3.960 -0.000 0.000 0.286 156 G C -1.329 173.803 174.900 0.386 0.000 1.241 156 G CA -0.171 45.194 45.100 0.442 0.000 0.887 156 G HN 0.848 nan 8.290 nan 0.000 0.484 157 F N -0.496 119.575 119.950 0.202 0.000 2.754 157 F HA 0.858 5.385 4.527 -0.000 0.000 0.320 157 F C -0.843 175.124 175.800 0.278 0.000 1.156 157 F CA -1.184 56.877 58.000 0.103 0.000 0.950 157 F CB 1.975 40.978 39.000 0.006 0.000 1.388 157 F HN 0.804 nan 8.300 nan 0.000 0.485 158 N N -1.055 117.616 118.700 -0.048 0.000 2.629 158 N HA 0.272 5.012 4.740 -0.000 0.000 0.279 158 N C -0.164 174.669 175.510 -1.128 0.000 1.344 158 N CA -0.281 52.535 53.050 -0.390 0.000 0.789 158 N CB 1.284 39.644 38.487 -0.212 0.000 1.508 158 N HN 0.680 nan 8.380 nan 0.000 0.516 159 S N -1.768 113.076 115.700 -1.427 0.000 2.474 159 S HA -0.024 4.446 4.470 -0.000 0.000 0.235 159 S C 1.501 175.741 174.600 -0.600 0.000 0.997 159 S CA 0.577 57.961 58.200 -1.360 0.000 0.949 159 S CB -0.749 61.916 63.200 -0.891 0.000 0.766 159 S HN 0.794 nan 8.310 nan 0.000 0.517 160 A N 0.902 123.480 122.820 -0.404 0.000 2.238 160 A HA 0.543 4.863 4.320 -0.000 0.000 0.208 160 A C 1.816 179.319 177.584 -0.135 0.000 1.177 160 A CA 0.546 52.458 52.037 -0.209 0.000 0.804 160 A CB -1.125 17.791 19.000 -0.141 0.000 0.823 160 A HN 1.447 nan 8.150 nan 0.000 0.482 161 G N -1.645 107.058 108.800 -0.163 0.000 2.157 161 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 161 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 161 G C 0.187 175.142 174.900 0.092 0.000 0.979 161 G CA 0.139 45.253 45.100 0.023 0.000 0.650 161 G HN 0.748 nan 8.290 nan 0.000 0.529 162 V N 1.096 121.012 119.914 0.003 0.000 2.508 162 V HA 0.607 4.727 4.120 -0.000 0.000 0.281 162 V C 0.761 176.866 176.094 0.019 0.000 1.041 162 V CA 0.458 62.766 62.300 0.013 0.000 1.016 162 V CB 1.186 32.995 31.823 -0.024 0.000 0.984 162 V HN 1.216 nan 8.190 nan 0.000 0.478 163 A N 5.396 128.197 122.820 -0.032 0.000 2.355 163 A HA 0.849 5.169 4.320 -0.000 0.000 0.317 163 A C -0.941 176.486 177.584 -0.261 0.000 1.094 163 A CA -0.524 51.315 52.037 -0.331 0.000 0.764 163 A CB 1.753 20.250 19.000 -0.839 0.000 1.230 163 A HN 0.605 nan 8.150 nan 0.000 0.448 164 V N 2.837 122.630 119.914 -0.202 0.000 2.540 164 V HA 0.426 4.545 4.120 -0.000 0.000 0.302 164 V C -0.334 175.824 176.094 0.106 0.000 1.035 164 V CA -0.638 61.624 62.300 -0.063 0.000 0.873 164 V CB 1.764 33.533 31.823 -0.090 0.000 0.992 164 V HN 1.026 nan 8.190 nan 0.000 0.428 165 N N 2.179 120.946 118.700 0.112 0.000 2.381 165 N HA 0.718 5.457 4.740 -0.000 0.000 0.294 165 N C -1.812 173.807 175.510 0.182 0.000 1.216 165 N CA -0.653 52.511 53.050 0.191 0.000 0.803 165 N CB 2.289 40.925 38.487 0.248 0.000 1.372 165 N HN 0.689 nan 8.380 nan 0.000 0.500 166 Y N 0.750 121.086 120.300 0.060 0.000 2.396 166 Y HA 0.493 5.043 4.550 -0.000 0.000 0.332 166 Y C -1.839 174.194 175.900 0.222 0.000 1.034 166 Y CA -0.879 57.246 58.100 0.041 0.000 1.057 166 Y CB 1.028 39.430 38.460 -0.096 0.000 1.220 166 Y HN 0.568 nan 8.280 nan 0.000 0.440 167 N N 3.326 121.937 118.700 -0.148 0.000 2.238 167 N HA 0.722 5.462 4.740 -0.000 0.000 0.302 167 N C -1.064 174.173 175.510 -0.454 0.000 1.072 167 N CA -0.614 52.363 53.050 -0.122 0.000 0.792 167 N CB 2.049 40.572 38.487 0.060 0.000 1.425 167 N HN 0.739 nan 8.380 nan 0.000 0.478 168 A N 1.099 123.689 122.820 -0.382 0.000 2.498 168 A HA 0.453 4.772 4.320 -0.000 0.000 0.239 168 A C -0.457 176.872 177.584 -0.425 0.000 1.068 168 A CA 0.287 51.997 52.037 -0.545 0.000 0.766 168 A CB -0.147 18.633 19.000 -0.366 0.000 1.003 168 A HN 0.609 nan 8.150 nan 0.000 0.497 169 L N 1.061 121.932 121.223 -0.588 0.000 2.393 169 L HA 0.501 4.840 4.340 -0.000 0.000 0.260 169 L C -0.005 176.631 176.870 -0.390 0.000 1.002 169 L CA -0.238 54.407 54.840 -0.325 0.000 0.818 169 L CB 1.982 43.875 42.059 -0.277 0.000 1.369 169 L HN 0.763 nan 8.230 nan 0.000 0.412 170 H N 4.108 123.171 119.070 -0.011 0.000 2.492 170 H HA 0.330 4.886 4.556 -0.000 0.000 0.264 170 H C -0.529 174.837 175.328 0.063 0.000 1.150 170 H CA -0.256 55.856 56.048 0.106 0.000 0.962 170 H CB 0.341 30.190 29.762 0.145 0.000 1.766 170 H HN 0.275 nan 8.280 nan 0.000 0.589 171 L N 1.456 122.716 121.223 0.062 0.000 2.452 171 L HA 0.073 4.413 4.340 -0.000 0.000 0.267 171 L C 0.931 177.847 176.870 0.076 0.000 1.188 171 L CA 0.215 55.073 54.840 0.031 0.000 0.821 171 L CB 0.859 42.882 42.059 -0.060 0.000 1.102 171 L HN 0.219 nan 8.230 nan 0.000 0.470 172 Q N 1.347 121.192 119.800 0.075 0.000 2.259 172 Q HA 0.547 4.887 4.340 -0.000 0.000 0.249 172 Q C -0.331 175.718 176.000 0.081 0.000 0.914 172 Q CA 0.096 55.951 55.803 0.087 0.000 0.904 172 Q CB 1.468 30.251 28.738 0.075 0.000 1.213 172 Q HN 0.802 nan 8.270 nan 0.000 0.428 173 G N 1.734 110.586 108.800 0.086 0.000 2.453 173 G HA2 0.189 4.149 3.960 -0.000 0.000 0.665 173 G HA3 0.189 4.149 3.960 -0.000 0.000 0.665 173 G C -2.383 172.565 174.900 0.079 0.000 1.411 173 G CA -0.689 44.457 45.100 0.076 0.000 0.889 173 G HN 0.645 nan 8.290 nan 0.000 0.651 174 L N 1.096 122.354 121.223 0.058 0.000 2.409 174 L HA 0.909 5.249 4.340 -0.000 0.000 0.272 174 L C -0.066 176.825 176.870 0.035 0.000 0.980 174 L CA -0.881 53.984 54.840 0.043 0.000 0.826 174 L CB 1.886 43.948 42.059 0.005 0.000 1.268 174 L HN 0.759 nan 8.230 nan 0.000 0.407 175 R N 6.033 126.558 120.500 0.042 0.000 2.352 175 R HA 0.460 4.799 4.340 -0.000 0.000 0.304 175 R C -2.141 174.182 176.300 0.037 0.000 1.104 175 R CA -1.595 54.528 56.100 0.038 0.000 0.991 175 R CB 1.557 31.886 30.300 0.049 0.000 1.140 175 R HN 0.452 nan 8.270 nan 0.000 0.540 176 P HA -0.118 nan 4.420 nan 0.000 0.219 176 P C 0.908 178.242 177.300 0.056 0.000 1.146 176 P CA 1.338 64.449 63.100 0.019 0.000 0.808 176 P CB 0.310 32.010 31.700 0.001 0.000 0.779 177 T N -4.681 109.902 114.554 0.049 0.000 3.129 177 T HA 0.220 4.570 4.350 -0.000 0.000 0.251 177 T C 1.117 175.875 174.700 0.098 0.000 1.117 177 T CA 0.007 62.137 62.100 0.051 0.000 1.034 177 T CB -0.707 68.168 68.868 0.011 0.000 0.968 177 T HN -0.005 nan 8.240 nan 0.000 0.526 178 G N 0.819 109.688 108.800 0.115 0.000 2.588 178 G HA2 0.457 4.417 3.960 -0.000 0.000 0.281 178 G HA3 0.457 4.417 3.960 -0.000 0.000 0.281 178 G C -0.568 174.480 174.900 0.247 0.000 1.236 178 G CA -0.596 44.589 45.100 0.142 0.000 0.969 178 G HN 0.336 nan 8.290 nan 0.000 0.504 179 V N 1.772 121.798 119.914 0.187 0.000 2.455 179 V HA 0.327 4.447 4.120 -0.000 0.000 0.273 179 V C -1.851 174.191 176.094 -0.087 0.000 1.045 179 V CA -1.692 60.630 62.300 0.036 0.000 0.976 179 V CB 1.143 32.900 31.823 -0.111 0.000 0.993 179 V HN 0.500 nan 8.190 nan 0.000 0.475 180 P HA 0.107 nan 4.420 nan 0.000 0.269 180 P C 0.773 178.022 177.300 -0.085 0.000 1.209 180 P CA 0.254 63.338 63.100 -0.028 0.000 0.776 180 P CB 0.695 32.400 31.700 0.008 0.000 0.876 181 S N 1.410 117.126 115.700 0.027 0.000 2.399 181 S HA -0.236 4.234 4.470 -0.000 0.000 0.231 181 S C 1.433 175.866 174.600 -0.278 0.000 1.022 181 S CA 1.368 59.559 58.200 -0.014 0.000 0.983 181 S CB -1.350 61.993 63.200 0.237 0.000 0.803 181 S HN 0.508 nan 8.310 nan 0.000 0.480 182 H N 0.902 119.852 119.070 -0.201 0.000 2.462 182 H HA 0.219 4.775 4.556 -0.000 0.000 0.292 182 H C 1.851 176.967 175.328 -0.354 0.000 1.049 182 H CA 1.272 57.134 56.048 -0.310 0.000 1.334 182 H CB -0.085 29.555 29.762 -0.202 0.000 1.404 182 H HN 0.299 nan 8.280 nan 0.000 0.544 183 I N 0.400 120.811 120.570 -0.266 0.000 2.286 183 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 183 I C 2.554 178.380 176.117 -0.485 0.000 1.104 183 I CA 1.126 62.136 61.300 -0.483 0.000 1.397 183 I CB -1.333 36.296 38.000 -0.618 0.000 1.072 183 I HN 0.264 nan 8.210 nan 0.000 0.417 184 A N 1.208 123.790 122.820 -0.396 0.000 1.908 184 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 184 A C 2.420 179.827 177.584 -0.295 0.000 1.181 184 A CA 1.445 53.286 52.037 -0.326 0.000 0.627 184 A CB -0.895 17.917 19.000 -0.313 0.000 0.818 184 A HN 0.397 nan 8.150 nan 0.000 0.445 185 L N -1.337 119.679 121.223 -0.345 0.000 2.012 185 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 185 L C 2.790 179.445 176.870 -0.359 0.000 1.073 185 L CA 1.833 56.460 54.840 -0.354 0.000 0.748 185 L CB -0.437 41.343 42.059 -0.465 0.000 0.891 185 L HN 0.384 nan 8.230 nan 0.000 0.431 186 R N 0.818 121.061 120.500 -0.428 0.000 2.096 186 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 186 R C 2.037 178.156 176.300 -0.301 0.000 1.127 186 R CA 1.508 57.326 56.100 -0.470 0.000 0.968 186 R CB -0.619 29.271 30.300 -0.684 0.000 0.861 186 R HN 0.285 nan 8.270 nan 0.000 0.440 187 I N 0.266 120.691 120.570 -0.243 0.000 2.163 187 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 187 I C 2.279 178.356 176.117 -0.068 0.000 1.085 187 I CA 1.504 62.767 61.300 -0.062 0.000 1.347 187 I CB -0.463 37.497 38.000 -0.066 0.000 1.044 187 I HN 0.303 nan 8.210 nan 0.000 0.408 188 A N 0.734 123.487 122.820 -0.113 0.000 1.902 188 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 188 A C 2.256 179.783 177.584 -0.095 0.000 1.181 188 A CA 1.333 53.323 52.037 -0.078 0.000 0.623 188 A CB -0.826 18.117 19.000 -0.095 0.000 0.818 188 A HN 0.405 nan 8.150 nan 0.000 0.443 189 L N -0.747 120.380 121.223 -0.159 0.000 2.362 189 L HA -0.112 4.228 4.340 -0.000 0.000 0.219 189 L C 1.916 178.721 176.870 -0.109 0.000 1.134 189 L CA 0.990 55.731 54.840 -0.165 0.000 0.807 189 L CB -0.303 41.568 42.059 -0.313 0.000 0.927 189 L HN 0.462 nan 8.230 nan 0.000 0.447 190 E N -0.984 119.172 120.200 -0.074 0.000 2.479 190 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 190 E C 0.340 176.928 176.600 -0.020 0.000 1.049 190 E CA -0.241 56.145 56.400 -0.024 0.000 0.870 190 E CB 0.478 30.202 29.700 0.040 0.000 0.944 190 E HN 0.274 nan 8.360 nan 0.000 0.492 191 S N 0.180 115.864 115.700 -0.027 0.000 2.646 191 S HA 0.086 4.556 4.470 -0.000 0.000 0.276 191 S C 1.204 175.788 174.600 -0.028 0.000 1.222 191 S CA -0.433 57.759 58.200 -0.013 0.000 1.014 191 S CB 1.480 64.686 63.200 0.011 0.000 0.991 191 S HN 0.268 nan 8.310 nan 0.000 0.533 192 T N -1.797 112.744 114.554 -0.021 0.000 3.081 192 T HA 0.244 4.594 4.350 -0.000 0.000 0.250 192 T C 0.514 175.202 174.700 -0.020 0.000 1.100 192 T CA 0.179 62.258 62.100 -0.035 0.000 1.038 192 T CB -0.252 68.594 68.868 -0.036 0.000 0.962 192 T HN 0.620 nan 8.240 nan 0.000 0.516 193 S N -0.395 115.309 115.700 0.007 0.000 2.588 193 S HA 0.540 5.010 4.470 -0.000 0.000 0.269 193 S C -2.903 171.744 174.600 0.078 0.000 1.157 193 S CA -1.212 57.006 58.200 0.030 0.000 0.824 193 S CB 1.625 64.840 63.200 0.025 0.000 1.126 193 S HN -0.170 nan 8.310 nan 0.000 0.464 194 P HA 0.003 nan 4.420 nan 0.000 0.217 194 P C 1.437 178.919 177.300 0.303 0.000 1.150 194 P CA 1.352 64.602 63.100 0.250 0.000 0.832 194 P CB -0.043 31.786 31.700 0.215 0.000 0.787 195 S N -0.497 115.284 115.700 0.135 0.000 2.359 195 S HA -0.253 4.216 4.470 -0.000 0.000 0.224 195 S C 2.068 176.711 174.600 0.072 0.000 1.035 195 S CA 1.355 59.582 58.200 0.045 0.000 1.018 195 S CB -0.882 62.326 63.200 0.013 0.000 0.876 195 S HN 0.293 nan 8.310 nan 0.000 0.448 196 Q N 0.673 120.514 119.800 0.069 0.000 2.084 196 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 196 Q C 2.260 178.302 176.000 0.070 0.000 0.978 196 Q CA 1.320 57.155 55.803 0.053 0.000 0.844 196 Q CB -0.327 28.429 28.738 0.031 0.000 0.898 196 Q HN 0.557 nan 8.270 nan 0.000 0.426 197 A N 0.083 122.976 122.820 0.122 0.000 1.883 197 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 197 A C 1.890 179.569 177.584 0.160 0.000 1.186 197 A CA 1.555 53.681 52.037 0.149 0.000 0.624 197 A CB -1.166 17.958 19.000 0.208 0.000 0.822 197 A HN 0.688 nan 8.150 nan 0.000 0.444 198 Y N 1.191 121.494 120.300 0.005 0.000 2.097 198 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 198 Y C 1.972 177.761 175.900 -0.186 0.000 1.152 198 Y CA 2.278 60.184 58.100 -0.324 0.000 1.136 198 Y CB -0.268 37.647 38.460 -0.908 0.000 0.975 198 Y HN 0.363 nan 8.280 nan 0.000 0.498 199 D N -0.168 120.217 120.400 -0.026 0.000 2.104 199 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 199 D C 2.276 178.502 176.300 -0.124 0.000 0.994 199 D CA 1.620 55.581 54.000 -0.066 0.000 0.830 199 D CB -0.315 40.499 40.800 0.023 0.000 0.959 199 D HN 0.406 nan 8.370 nan 0.000 0.452 200 R N -0.025 120.432 120.500 -0.071 0.000 2.092 200 R HA 0.046 4.386 4.340 -0.000 0.000 0.231 200 R C 2.525 178.778 176.300 -0.079 0.000 1.119 200 R CA 0.502 56.574 56.100 -0.046 0.000 0.970 200 R CB -0.139 30.158 30.300 -0.006 0.000 0.864 200 R HN 0.246 nan 8.270 nan 0.000 0.440 201 I N 0.087 120.573 120.570 -0.139 0.000 2.202 201 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 201 I C 2.206 178.182 176.117 -0.236 0.000 1.091 201 I CA 1.110 62.297 61.300 -0.188 0.000 1.368 201 I CB -0.221 37.657 38.000 -0.203 0.000 1.058 201 I HN -0.038 nan 8.210 nan 0.000 0.410 202 V N 0.734 120.431 119.914 -0.362 0.000 2.407 202 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 202 V C 2.274 178.262 176.094 -0.177 0.000 1.055 202 V CA 1.821 63.915 62.300 -0.344 0.000 1.049 202 V CB -0.689 30.798 31.823 -0.559 0.000 0.662 202 V HN 0.432 nan 8.190 nan 0.000 0.455 203 E N -0.335 119.785 120.200 -0.132 0.000 2.219 203 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 203 E C 2.240 178.832 176.600 -0.013 0.000 0.998 203 E CA 1.010 57.376 56.400 -0.056 0.000 0.818 203 E CB -0.100 29.582 29.700 -0.031 0.000 0.741 203 E HN 0.583 nan 8.360 nan 0.000 0.477 204 Q N -0.885 118.918 119.800 0.004 0.000 2.364 204 Q HA -0.055 4.285 4.340 -0.000 0.000 0.207 204 Q C 1.485 177.513 176.000 0.047 0.000 0.970 204 Q CA 1.117 56.972 55.803 0.087 0.000 0.888 204 Q CB 0.136 28.965 28.738 0.152 0.000 0.951 204 Q HN 0.435 nan 8.270 nan 0.000 0.469 205 G N -0.199 108.596 108.800 -0.009 0.000 2.137 205 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.237 205 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.237 205 G C 0.362 175.260 174.900 -0.005 0.000 1.002 205 G CA 0.511 45.604 45.100 -0.012 0.000 0.702 205 G HN 0.821 nan 8.290 nan 0.000 0.515 206 G N -1.243 107.546 108.800 -0.019 0.000 2.351 206 G HA2 0.490 4.450 3.960 -0.000 0.000 0.472 206 G HA3 0.490 4.450 3.960 -0.000 0.000 0.472 206 G C -0.439 174.445 174.900 -0.027 0.000 1.570 206 G CA -0.243 44.847 45.100 -0.017 0.000 0.921 206 G HN 0.761 nan 8.290 nan 0.000 0.674 207 M N 1.573 121.138 119.600 -0.059 0.000 2.288 207 M HA 0.559 5.039 4.480 -0.000 0.000 0.334 207 M C 1.614 177.934 176.300 0.033 0.000 1.150 207 M CA -0.078 55.166 55.300 -0.093 0.000 1.118 207 M CB 0.879 33.358 32.600 -0.201 0.000 1.501 207 M HN 1.146 nan 8.290 nan 0.000 0.462 208 A N 1.543 124.394 122.820 0.051 0.000 1.929 208 A HA 0.419 4.739 4.320 -0.000 0.000 0.216 208 A C 1.094 178.746 177.584 0.113 0.000 1.176 208 A CA 1.669 53.757 52.037 0.085 0.000 0.628 208 A CB -0.056 18.995 19.000 0.084 0.000 0.816 208 A HN 0.911 nan 8.150 nan 0.000 0.444 209 A N -1.939 120.988 122.820 0.178 0.000 3.742 209 A HA 0.685 5.005 4.320 -0.000 0.000 0.282 209 A C -0.270 177.485 177.584 0.286 0.000 1.117 209 A CA 0.367 52.523 52.037 0.199 0.000 0.624 209 A CB -0.007 19.103 19.000 0.184 0.000 1.548 209 A HN 0.612 nan 8.150 nan 0.000 0.723 210 S N -1.130 114.667 115.700 0.161 0.000 2.482 210 S HA 0.807 5.277 4.470 -0.000 0.000 0.303 210 S C -0.422 173.996 174.600 -0.303 0.000 1.091 210 S CA 0.434 58.610 58.200 -0.040 0.000 1.057 210 S CB 1.087 64.256 63.200 -0.053 0.000 1.031 210 S HN 2.298 nan 8.310 nan 0.000 0.485 211 A N 3.074 125.405 122.820 -0.814 0.000 2.438 211 A HA 0.735 5.055 4.320 -0.000 0.000 0.301 211 A C -2.090 174.890 177.584 -1.005 0.000 1.101 211 A CA -0.696 50.868 52.037 -0.787 0.000 0.621 211 A CB 0.464 19.256 19.000 -0.347 0.000 1.350 211 A HN 1.121 nan 8.150 nan 0.000 0.496 212 F N 0.276 119.791 119.950 -0.725 0.000 2.529 212 F HA 0.826 5.353 4.527 -0.000 0.000 0.320 212 F C -1.156 174.531 175.800 -0.188 0.000 1.118 212 F CA -0.784 56.900 58.000 -0.527 0.000 0.915 212 F CB 1.261 39.870 39.000 -0.652 0.000 1.161 212 F HN 0.473 nan 8.300 nan 0.000 0.445 213 I N 7.228 127.290 120.570 -0.847 0.000 2.465 213 I HA 0.421 4.591 4.170 -0.000 0.000 0.291 213 I C -0.796 174.688 176.117 -1.055 0.000 1.014 213 I CA -0.747 60.213 61.300 -0.566 0.000 1.093 213 I CB 2.062 40.009 38.000 -0.089 0.000 1.267 213 I HN 0.655 nan 8.210 nan 0.000 0.431 214 M N 6.933 126.133 119.600 -0.667 0.000 2.383 214 M HA 0.672 5.152 4.480 -0.000 0.000 0.325 214 M C -1.887 174.153 176.300 -0.432 0.000 1.092 214 M CA -0.585 54.411 55.300 -0.506 0.000 0.961 214 M CB 1.916 34.487 32.600 -0.049 0.000 1.672 214 M HN 0.342 nan 8.290 nan 0.000 0.438 215 V N 3.615 123.106 119.914 -0.706 0.000 2.638 215 V HA 0.918 5.038 4.120 -0.000 0.000 0.306 215 V C -0.007 175.856 176.094 -0.384 0.000 1.052 215 V CA -0.551 61.429 62.300 -0.533 0.000 0.885 215 V CB 1.739 33.177 31.823 -0.642 0.000 0.999 215 V HN 1.019 nan 8.190 nan 0.000 0.424 216 G N 3.196 111.912 108.800 -0.140 0.000 2.690 216 G HA2 0.718 4.678 3.960 -0.000 0.000 0.293 216 G HA3 0.718 4.678 3.960 -0.000 0.000 0.293 216 G C -1.356 173.527 174.900 -0.028 0.000 1.399 216 G CA -0.585 44.470 45.100 -0.076 0.000 0.890 216 G HN 0.764 nan 8.290 nan 0.000 0.485 217 N N -1.546 117.066 118.700 -0.147 0.000 3.379 217 N HA 0.534 5.274 4.740 -0.000 0.000 0.350 217 N C 1.396 176.584 175.510 -0.536 0.000 1.553 217 N CA 0.066 52.937 53.050 -0.299 0.000 0.712 217 N CB 0.377 38.841 38.487 -0.039 0.000 1.880 217 N HN 0.697 nan 8.380 nan 0.000 0.648 218 G N -1.580 107.074 108.800 -0.244 0.000 2.471 218 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 218 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 218 G C 1.055 176.000 174.900 0.076 0.000 1.125 218 G CA 0.865 45.930 45.100 -0.057 0.000 0.775 218 G HN 0.787 nan 8.290 nan 0.000 0.548 219 H N 0.607 119.674 119.070 -0.006 0.000 2.506 219 H HA 0.172 4.728 4.556 -0.000 0.000 0.289 219 H C 0.427 175.773 175.328 0.030 0.000 1.009 219 H CA 1.111 57.172 56.048 0.023 0.000 1.303 219 H CB 0.712 30.477 29.762 0.005 0.000 1.453 219 H HN 0.551 nan 8.280 nan 0.000 0.526 220 E N -0.076 120.087 120.200 -0.060 0.000 2.430 220 E HA 0.671 5.020 4.350 -0.000 0.000 0.279 220 E C -1.700 174.746 176.600 -0.257 0.000 1.003 220 E CA -1.215 55.086 56.400 -0.165 0.000 0.801 220 E CB 2.435 32.110 29.700 -0.043 0.000 1.313 220 E HN 0.179 nan 8.360 nan 0.000 0.459 221 A N 0.835 123.445 122.820 -0.351 0.000 2.604 221 A HA 0.734 5.054 4.320 -0.000 0.000 0.295 221 A C -1.708 175.792 177.584 -0.140 0.000 1.067 221 A CA -0.782 50.991 52.037 -0.439 0.000 0.683 221 A CB 1.021 19.320 19.000 -1.169 0.000 1.281 221 A HN 0.808 nan 8.150 nan 0.000 0.407 222 F N -0.481 119.364 119.950 -0.176 0.000 2.626 222 F HA 0.900 5.427 4.527 -0.000 0.000 0.311 222 F C 0.050 175.830 175.800 -0.033 0.000 1.088 222 F CA -0.520 57.429 58.000 -0.086 0.000 0.949 222 F CB 1.332 40.284 39.000 -0.080 0.000 1.322 222 F HN 0.948 nan 8.300 nan 0.000 0.461 223 G N 1.655 110.549 108.800 0.157 0.000 2.453 223 G HA2 0.694 4.654 3.960 -0.000 0.000 0.323 223 G HA3 0.694 4.654 3.960 -0.000 0.000 0.323 223 G C -2.110 172.914 174.900 0.207 0.000 1.198 223 G CA -1.140 43.966 45.100 0.009 0.000 0.959 223 G HN 0.815 nan 8.290 nan 0.000 0.482 224 L N 1.050 122.221 121.223 -0.087 0.000 2.376 224 L HA 0.402 4.741 4.340 -0.000 0.000 0.275 224 L C -0.289 176.705 176.870 0.207 0.000 0.987 224 L CA -0.556 54.418 54.840 0.223 0.000 0.828 224 L CB 2.321 44.603 42.059 0.371 0.000 1.249 224 L HN 0.504 nan 8.230 nan 0.000 0.409 225 E N 4.051 124.458 120.200 0.345 0.000 2.146 225 E HA 0.504 4.854 4.350 -0.000 0.000 0.282 225 E C -1.299 175.508 176.600 0.345 0.000 0.989 225 E CA -0.377 56.194 56.400 0.284 0.000 0.799 225 E CB 1.295 31.253 29.700 0.429 0.000 1.088 225 E HN 0.334 nan 8.360 nan 0.000 0.397 226 F N 0.316 120.369 119.950 0.171 0.000 2.626 226 F HA 0.726 5.252 4.527 -0.000 0.000 0.311 226 F C -0.382 175.458 175.800 0.066 0.000 1.088 226 F CA -1.030 57.048 58.000 0.131 0.000 0.949 226 F CB 1.224 40.272 39.000 0.080 0.000 1.322 226 F HN 0.289 nan 8.300 nan 0.000 0.461 227 S N -0.374 115.531 115.700 0.341 0.000 2.720 227 S HA 0.659 5.129 4.470 -0.000 0.000 0.287 227 S C -2.771 171.965 174.600 0.227 0.000 1.168 227 S CA -1.554 56.786 58.200 0.233 0.000 0.832 227 S CB 1.705 64.971 63.200 0.110 0.000 1.166 227 S HN 0.371 nan 8.310 nan 0.000 0.493 228 P HA 0.068 nan 4.420 nan 0.000 0.225 228 P C 0.853 178.211 177.300 0.097 0.000 1.148 228 P CA 1.315 64.483 63.100 0.113 0.000 0.779 228 P CB -0.201 31.553 31.700 0.090 0.000 0.780 229 T N -6.641 107.978 114.554 0.109 0.000 3.145 229 T HA 0.351 4.701 4.350 -0.000 0.000 0.281 229 T C 0.233 175.008 174.700 0.126 0.000 1.003 229 T CA -0.345 61.813 62.100 0.098 0.000 0.901 229 T CB -0.189 68.728 68.868 0.082 0.000 1.112 229 T HN -0.088 nan 8.240 nan 0.000 0.535 230 S N 0.559 116.360 115.700 0.168 0.000 2.592 230 S HA 0.665 5.135 4.470 -0.000 0.000 0.275 230 S C -1.760 173.004 174.600 0.273 0.000 1.169 230 S CA -0.772 57.567 58.200 0.232 0.000 0.958 230 S CB 0.798 64.212 63.200 0.356 0.000 1.095 230 S HN 0.414 nan 8.310 nan 0.000 0.471 231 I N 4.883 125.582 120.570 0.214 0.000 2.468 231 I HA 0.563 4.732 4.170 -0.000 0.000 0.285 231 I C -0.400 175.815 176.117 0.163 0.000 1.039 231 I CA -0.747 60.686 61.300 0.222 0.000 1.074 231 I CB 1.615 39.689 38.000 0.123 0.000 1.228 231 I HN 0.348 nan 8.210 nan 0.000 0.436 232 R N 4.940 125.548 120.500 0.180 0.000 2.534 232 R HA 0.436 4.776 4.340 -0.000 0.000 0.301 232 R C -0.687 175.712 176.300 0.165 0.000 0.961 232 R CA -0.891 55.249 56.100 0.067 0.000 0.871 232 R CB 2.596 32.779 30.300 -0.195 0.000 1.170 232 R HN 0.520 nan 8.270 nan 0.000 0.446 233 K N 2.504 122.991 120.400 0.146 0.000 2.227 233 K HA 0.147 4.466 4.320 -0.000 0.000 0.280 233 K C -0.613 176.085 176.600 0.164 0.000 1.041 233 K CA -0.233 56.168 56.287 0.191 0.000 0.905 233 K CB 1.257 33.823 32.500 0.110 0.000 1.068 233 K HN 0.504 nan 8.250 nan 0.000 0.470 234 Q N 3.437 123.380 119.800 0.239 0.000 2.243 234 Q HA 0.332 4.672 4.340 -0.000 0.000 0.252 234 Q C -0.750 175.354 176.000 0.174 0.000 0.909 234 Q CA -0.793 55.140 55.803 0.216 0.000 0.922 234 Q CB 1.417 30.348 28.738 0.322 0.000 1.215 234 Q HN 0.526 nan 8.270 nan 0.000 0.427 235 V N 1.093 121.074 119.914 0.112 0.000 3.046 235 V HA 0.547 4.667 4.120 -0.000 0.000 0.316 235 V C -0.266 175.865 176.094 0.062 0.000 1.104 235 V CA -1.240 61.100 62.300 0.067 0.000 1.006 235 V CB 1.340 33.178 31.823 0.024 0.000 1.058 235 V HN 0.795 nan 8.190 nan 0.000 0.440 236 L N 2.875 124.116 121.223 0.030 0.000 2.525 236 L HA 0.199 4.539 4.340 -0.000 0.000 0.278 236 L C 0.668 177.573 176.870 0.059 0.000 1.218 236 L CA 0.021 54.892 54.840 0.051 0.000 0.878 236 L CB -0.070 42.009 42.059 0.034 0.000 1.127 236 L HN 1.021 nan 8.230 nan 0.000 0.492 237 D N 2.486 122.932 120.400 0.077 0.000 2.398 237 D HA 0.126 4.765 4.640 -0.000 0.000 0.264 237 D C 0.947 177.281 176.300 0.056 0.000 1.263 237 D CA -0.017 54.023 54.000 0.066 0.000 1.037 237 D CB 0.628 41.473 40.800 0.074 0.000 1.101 237 D HN 0.488 nan 8.370 nan 0.000 0.551 238 A N -0.607 122.242 122.820 0.048 0.000 2.172 238 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 238 A C 1.427 179.036 177.584 0.043 0.000 1.154 238 A CA 0.792 52.853 52.037 0.039 0.000 0.701 238 A CB -0.674 18.346 19.000 0.034 0.000 0.789 238 A HN 0.502 nan 8.150 nan 0.000 0.465 239 N N -0.712 118.020 118.700 0.054 0.000 2.270 239 N HA 0.167 4.907 4.740 -0.000 0.000 0.198 239 N C 0.977 176.533 175.510 0.077 0.000 1.117 239 N CA 0.873 53.958 53.050 0.058 0.000 0.845 239 N CB 0.478 39.000 38.487 0.058 0.000 0.980 239 N HN 0.554 nan 8.380 nan 0.000 0.486 240 G N 1.238 110.089 108.800 0.086 0.000 2.176 240 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.252 240 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.252 240 G C -0.015 174.997 174.900 0.188 0.000 1.024 240 G CA -0.030 45.141 45.100 0.119 0.000 0.755 240 G HN 0.320 nan 8.290 nan 0.000 0.507 241 R N -1.034 119.566 120.500 0.167 0.000 2.803 241 R HA 0.819 5.159 4.340 -0.000 0.000 0.276 241 R C -0.166 176.251 176.300 0.194 0.000 0.978 241 R CA -0.836 55.386 56.100 0.204 0.000 0.939 241 R CB 1.767 32.153 30.300 0.144 0.000 1.179 241 R HN 0.267 nan 8.270 nan 0.000 0.472 242 M N 2.373 122.120 119.600 0.246 0.000 2.267 242 M HA 0.409 4.889 4.480 -0.000 0.000 0.289 242 M C -1.815 174.620 176.300 0.226 0.000 1.043 242 M CA -0.788 54.644 55.300 0.220 0.000 0.928 242 M CB 2.029 34.761 32.600 0.219 0.000 1.613 242 M HN 0.354 nan 8.290 nan 0.000 0.450 243 V N 4.183 124.197 119.914 0.167 0.000 2.656 243 V HA 0.612 4.731 4.120 -0.000 0.000 0.307 243 V C -0.883 175.290 176.094 0.131 0.000 1.051 243 V CA -0.660 61.709 62.300 0.116 0.000 0.893 243 V CB 1.963 33.728 31.823 -0.096 0.000 0.999 243 V HN 0.783 nan 8.190 nan 0.000 0.426 244 H N 1.943 120.988 119.070 -0.043 0.000 2.894 244 H HA 0.587 5.143 4.556 -0.000 0.000 0.367 244 H C -0.278 174.910 175.328 -0.234 0.000 1.144 244 H CA 0.323 56.180 56.048 -0.319 0.000 1.180 244 H CB 2.677 31.845 29.762 -0.990 0.000 1.758 244 H HN 0.860 nan 8.280 nan 0.000 0.541 245 T N 0.599 114.905 114.554 -0.413 0.000 2.292 245 T HA 0.188 4.538 4.350 -0.000 0.000 0.205 245 T C 0.417 175.027 174.700 -0.151 0.000 0.863 245 T CA -0.492 61.498 62.100 -0.184 0.000 1.243 245 T CB 0.341 69.137 68.868 -0.119 0.000 3.036 245 T HN 0.527 nan 8.240 nan 0.000 0.446 246 N N 1.269 119.885 118.700 -0.139 0.000 2.282 246 N HA 0.231 4.971 4.740 -0.000 0.000 0.240 246 N C -0.550 174.944 175.510 -0.028 0.000 1.182 246 N CA -0.550 52.487 53.050 -0.021 0.000 0.874 246 N CB 0.232 38.775 38.487 0.094 0.000 1.126 246 N HN 0.643 nan 8.380 nan 0.000 0.516 247 H N -2.285 116.551 119.070 -0.389 0.000 2.928 247 H HA 0.406 4.962 4.556 -0.000 0.000 0.371 247 H C -0.918 174.173 175.328 -0.394 0.000 1.186 247 H CA -0.958 54.812 56.048 -0.464 0.000 1.134 247 H CB 0.458 29.573 29.762 -1.078 0.000 1.824 247 H HN -0.160 nan 8.280 nan 0.000 0.554 248 C N 2.627 121.834 119.300 -0.155 0.000 2.651 248 C HA 0.099 4.559 4.460 -0.000 0.000 0.410 248 C C 2.186 177.087 174.990 -0.148 0.000 1.372 248 C CA -0.291 58.694 59.018 -0.054 0.000 1.707 248 C CB -1.404 26.390 27.740 0.091 0.000 2.501 248 C HN 0.663 nan 8.230 nan 0.000 0.598 249 L N 3.013 124.109 121.223 -0.211 0.000 2.556 249 L HA 0.225 4.565 4.340 -0.000 0.000 0.226 249 L C 0.497 177.349 176.870 -0.031 0.000 1.089 249 L CA 0.480 55.182 54.840 -0.230 0.000 0.864 249 L CB -0.348 41.471 42.059 -0.400 0.000 1.067 249 L HN 0.578 nan 8.230 nan 0.000 0.477 250 L N -0.222 121.034 121.223 0.054 0.000 2.352 250 L HA 0.335 4.675 4.340 -0.000 0.000 0.269 250 L C -0.014 176.872 176.870 0.027 0.000 1.034 250 L CA -0.839 54.012 54.840 0.018 0.000 0.806 250 L CB 0.851 42.891 42.059 -0.032 0.000 1.244 250 L HN -0.031 nan 8.230 nan 0.000 0.447 251 Q N 2.027 121.812 119.800 -0.025 0.000 2.295 251 Q HA 0.275 4.615 4.340 -0.000 0.000 0.259 251 Q C -0.631 175.320 176.000 -0.081 0.000 0.976 251 Q CA 0.168 55.980 55.803 0.015 0.000 0.923 251 Q CB 0.706 29.458 28.738 0.023 0.000 1.185 251 Q HN 0.430 nan 8.270 nan 0.000 0.410 252 H N -0.029 119.081 119.070 0.068 0.000 2.615 252 H HA 0.399 4.955 4.556 -0.000 0.000 0.346 252 H C 0.461 175.826 175.328 0.063 0.000 1.200 252 H CA -0.667 55.424 56.048 0.071 0.000 1.264 252 H CB 1.249 31.058 29.762 0.078 0.000 1.699 252 H HN 0.725 nan 8.280 nan 0.000 0.567 253 G N 0.473 109.388 108.800 0.191 0.000 2.562 253 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.233 253 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.233 253 G C 1.042 176.009 174.900 0.112 0.000 1.266 253 G CA -0.427 44.746 45.100 0.122 0.000 0.852 253 G HN 0.569 nan 8.290 nan 0.000 0.581 254 K N 1.136 121.585 120.400 0.081 0.000 2.103 254 K HA -0.101 4.218 4.320 -0.000 0.000 0.207 254 K C 1.059 177.699 176.600 0.066 0.000 1.048 254 K CA 1.033 57.361 56.287 0.069 0.000 0.930 254 K CB -0.016 32.515 32.500 0.052 0.000 0.716 254 K HN 0.454 nan 8.250 nan 0.000 0.444 255 N N 1.310 120.048 118.700 0.065 0.000 2.276 255 N HA 0.008 4.748 4.740 -0.000 0.000 0.212 255 N C -0.435 175.112 175.510 0.061 0.000 1.127 255 N CA 0.118 53.202 53.050 0.057 0.000 0.834 255 N CB 0.528 39.045 38.487 0.049 0.000 1.014 255 N HN 0.203 nan 8.380 nan 0.000 0.491 256 E N 1.197 121.441 120.200 0.072 0.000 2.360 256 E HA 0.076 4.426 4.350 -0.000 0.000 0.269 256 E C -0.067 176.561 176.600 0.047 0.000 1.022 256 E CA 0.270 56.705 56.400 0.058 0.000 0.887 256 E CB 1.444 31.178 29.700 0.057 0.000 0.990 256 E HN 0.026 nan 8.360 nan 0.000 0.426 257 K N 2.188 122.612 120.400 0.040 0.000 2.413 257 K HA 0.176 4.496 4.320 -0.000 0.000 0.257 257 K C -0.792 175.840 176.600 0.054 0.000 0.946 257 K CA -0.399 55.917 56.287 0.048 0.000 0.823 257 K CB 1.065 33.596 32.500 0.052 0.000 1.109 257 K HN 0.316 nan 8.250 nan 0.000 0.427 258 E N 5.145 125.383 120.200 0.064 0.000 2.089 258 E HA 0.168 4.517 4.350 -0.000 0.000 0.284 258 E C -1.029 175.635 176.600 0.106 0.000 1.023 258 E CA -0.523 55.933 56.400 0.093 0.000 0.819 258 E CB 0.570 30.335 29.700 0.108 0.000 1.076 258 E HN 0.510 nan 8.360 nan 0.000 0.396 259 L N 5.466 126.773 121.223 0.140 0.000 2.268 259 L HA 0.200 4.540 4.340 -0.000 0.000 0.289 259 L C -0.473 176.444 176.870 0.078 0.000 1.064 259 L CA -0.564 54.347 54.840 0.117 0.000 0.824 259 L CB 0.670 42.815 42.059 0.142 0.000 1.202 259 L HN 0.634 nan 8.230 nan 0.000 0.433 260 D N 2.296 122.709 120.400 0.023 0.000 2.802 260 D HA -0.134 4.505 4.640 -0.000 0.000 0.229 260 D C -2.139 174.068 176.300 -0.154 0.000 1.203 260 D CA 0.230 54.209 54.000 -0.034 0.000 0.712 260 D CB -0.775 40.015 40.800 -0.017 0.000 0.973 260 D HN 0.306 nan 8.370 nan 0.000 0.407 261 P HA 0.203 nan 4.420 nan 0.000 0.278 261 P C 0.680 177.957 177.300 -0.037 0.000 1.238 261 P CA -0.727 62.223 63.100 -0.249 0.000 0.794 261 P CB 0.789 32.499 31.700 0.017 0.000 0.955 262 L N 4.358 125.538 121.223 -0.073 0.000 2.601 262 L HA -0.030 4.310 4.340 -0.000 0.000 0.277 262 L C -1.040 175.888 176.870 0.096 0.000 1.219 262 L CA -0.924 53.909 54.840 -0.011 0.000 0.915 262 L CB -0.470 41.586 42.059 -0.006 0.000 1.160 262 L HN 0.312 nan 8.230 nan 0.000 0.494 263 P HA -0.209 nan 4.420 nan 0.000 0.216 263 P C 0.926 178.257 177.300 0.053 0.000 1.150 263 P CA 1.409 64.481 63.100 -0.048 0.000 0.843 263 P CB 0.022 31.595 31.700 -0.212 0.000 0.787 264 D N -1.719 118.653 120.400 -0.047 0.000 2.350 264 D HA -0.102 4.538 4.640 -0.000 0.000 0.216 264 D C 1.795 178.145 176.300 0.084 0.000 0.968 264 D CA 0.719 54.711 54.000 -0.013 0.000 0.894 264 D CB -0.865 39.901 40.800 -0.056 0.000 0.909 264 D HN 0.002 nan 8.370 nan 0.000 0.520 265 S N -1.051 114.717 115.700 0.114 0.000 2.400 265 S HA -0.143 4.327 4.470 -0.000 0.000 0.232 265 S C 1.473 176.089 174.600 0.027 0.000 1.025 265 S CA 0.937 59.171 58.200 0.057 0.000 0.993 265 S CB -0.479 62.709 63.200 -0.020 0.000 0.808 265 S HN 0.507 nan 8.310 nan 0.000 0.478 266 W N 1.495 122.688 121.300 -0.179 0.000 2.408 266 W HA -0.049 4.611 4.660 -0.000 0.000 0.311 266 W C 2.032 178.552 176.519 0.001 0.000 1.190 266 W CA 0.913 58.161 57.345 -0.162 0.000 1.321 266 W CB -1.165 28.112 29.460 -0.305 0.000 1.143 266 W HN 0.396 nan 8.180 nan 0.000 0.501 267 N N 0.445 119.263 118.700 0.196 0.000 2.061 267 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 267 N C 1.670 177.233 175.510 0.088 0.000 1.030 267 N CA 1.945 55.058 53.050 0.104 0.000 0.856 267 N CB -0.804 37.716 38.487 0.054 0.000 1.023 267 N HN 0.091 nan 8.380 nan 0.000 0.424 268 R N -0.571 119.983 120.500 0.089 0.000 2.092 268 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 268 R C 2.123 178.450 176.300 0.045 0.000 1.119 268 R CA 0.931 57.064 56.100 0.055 0.000 0.970 268 R CB -0.412 29.919 30.300 0.052 0.000 0.864 268 R HN 0.498 nan 8.270 nan 0.000 0.440 269 H N 0.981 120.047 119.070 -0.007 0.000 2.326 269 H HA -0.131 4.424 4.556 -0.000 0.000 0.301 269 H C 1.961 177.287 175.328 -0.004 0.000 1.081 269 H CA 1.820 57.843 56.048 -0.042 0.000 1.334 269 H CB 0.256 29.973 29.762 -0.076 0.000 1.385 269 H HN 0.236 nan 8.280 nan 0.000 0.504 270 Q N 0.151 120.008 119.800 0.094 0.000 2.124 270 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 270 Q C 2.544 178.556 176.000 0.020 0.000 0.977 270 Q CA 1.569 57.406 55.803 0.057 0.000 0.850 270 Q CB 0.062 28.864 28.738 0.107 0.000 0.901 270 Q HN 0.183 nan 8.270 nan 0.000 0.429 271 R N 0.013 120.521 120.500 0.014 0.000 2.066 271 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 271 R C 2.054 178.361 176.300 0.012 0.000 1.131 271 R CA 1.835 57.955 56.100 0.032 0.000 0.955 271 R CB -0.496 29.807 30.300 0.005 0.000 0.851 271 R HN 0.320 nan 8.270 nan 0.000 0.432 272 M N 1.053 120.592 119.600 -0.102 0.000 2.117 272 M HA -0.098 4.381 4.480 -0.000 0.000 0.262 272 M C 1.552 177.743 176.300 -0.180 0.000 1.065 272 M CA 1.826 57.004 55.300 -0.202 0.000 1.114 272 M CB -0.281 32.167 32.600 -0.253 0.000 1.361 272 M HN 0.250 nan 8.290 nan 0.000 0.408 273 E N -1.062 119.027 120.200 -0.185 0.000 2.085 273 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 273 E C 1.964 178.550 176.600 -0.023 0.000 0.994 273 E CA 1.619 57.941 56.400 -0.130 0.000 0.801 273 E CB -0.570 29.030 29.700 -0.166 0.000 0.743 273 E HN 0.607 nan 8.360 nan 0.000 0.453 274 F N 1.663 121.554 119.950 -0.100 0.000 2.102 274 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 274 F C 2.060 177.823 175.800 -0.060 0.000 1.105 274 F CA 1.261 59.224 58.000 -0.061 0.000 1.239 274 F CB -0.230 38.740 39.000 -0.050 0.000 0.991 274 F HN -0.108 nan 8.300 nan 0.000 0.474 275 L N -0.099 121.040 121.223 -0.141 0.000 2.046 275 L HA -0.237 4.102 4.340 -0.000 0.000 0.208 275 L C 2.464 179.199 176.870 -0.225 0.000 1.077 275 L CA 1.198 55.891 54.840 -0.245 0.000 0.747 275 L CB -0.782 41.158 42.059 -0.198 0.000 0.896 275 L HN 0.219 nan 8.230 nan 0.000 0.432 276 L N -0.687 120.425 121.223 -0.184 0.000 2.191 276 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 276 L C 2.070 178.957 176.870 0.027 0.000 1.103 276 L CA 0.733 55.539 54.840 -0.056 0.000 0.769 276 L CB -0.574 41.450 42.059 -0.060 0.000 0.908 276 L HN 0.288 nan 8.230 nan 0.000 0.438 277 D N 0.211 120.549 120.400 -0.105 0.000 2.144 277 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 277 D C 1.999 178.212 176.300 -0.145 0.000 0.978 277 D CA 1.480 55.408 54.000 -0.120 0.000 0.833 277 D CB 0.078 40.776 40.800 -0.171 0.000 0.961 277 D HN 0.345 nan 8.370 nan 0.000 0.470 278 G N -0.692 107.969 108.800 -0.232 0.000 3.088 278 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.217 278 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.217 278 G C 0.263 175.143 174.900 -0.033 0.000 1.159 278 G CA -0.446 44.543 45.100 -0.184 0.000 0.760 278 G HN 0.076 nan 8.290 nan 0.000 0.550 279 F N 3.009 122.871 119.950 -0.147 0.000 2.538 279 F HA 0.216 4.743 4.527 -0.000 0.000 0.371 279 F C 1.222 176.993 175.800 -0.049 0.000 1.087 279 F CA -1.775 56.174 58.000 -0.084 0.000 1.250 279 F CB 1.165 40.130 39.000 -0.059 0.000 1.110 279 F HN 0.159 nan 8.300 nan 0.000 0.570 280 D N 2.595 122.737 120.400 -0.431 0.000 2.355 280 D HA 0.131 4.770 4.640 -0.000 0.000 0.218 280 D C 1.614 177.491 176.300 -0.706 0.000 1.004 280 D CA 0.805 54.540 54.000 -0.442 0.000 0.880 280 D CB -0.111 40.566 40.800 -0.204 0.000 0.911 280 D HN 0.887 nan 8.370 nan 0.000 0.528 281 G N -0.038 107.806 108.800 -1.593 0.000 2.213 281 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.236 281 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.236 281 G C 0.528 175.182 174.900 -0.409 0.000 0.991 281 G CA 0.381 44.799 45.100 -1.135 0.000 0.629 281 G HN 0.799 nan 8.290 nan 0.000 0.517 282 T N -1.146 113.270 114.554 -0.230 0.000 2.918 282 T HA 0.504 4.853 4.350 -0.000 0.000 0.302 282 T C 1.266 176.103 174.700 0.228 0.000 1.045 282 T CA 0.700 62.813 62.100 0.021 0.000 1.114 282 T CB 2.020 70.903 68.868 0.024 0.000 0.965 282 T HN 0.314 nan 8.240 nan 0.000 0.540 283 K N 0.772 121.272 120.400 0.166 0.000 2.063 283 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 283 K C 2.364 179.115 176.600 0.251 0.000 1.048 283 K CA 1.702 58.114 56.287 0.208 0.000 0.928 283 K CB -0.181 32.385 32.500 0.110 0.000 0.713 283 K HN 0.856 nan 8.250 nan 0.000 0.442 284 Q N -0.093 119.811 119.800 0.174 0.000 2.030 284 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 284 Q C 1.885 177.988 176.000 0.172 0.000 0.986 284 Q CA 1.802 57.689 55.803 0.141 0.000 0.843 284 Q CB -0.213 28.579 28.738 0.089 0.000 0.904 284 Q HN 0.404 nan 8.270 nan 0.000 0.420 285 A N 0.014 122.971 122.820 0.227 0.000 1.969 285 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 285 A C 1.829 179.565 177.584 0.253 0.000 1.169 285 A CA 1.110 53.301 52.037 0.257 0.000 0.635 285 A CB -0.883 18.313 19.000 0.327 0.000 0.810 285 A HN 0.610 nan 8.150 nan 0.000 0.445 286 F N 0.989 121.080 119.950 0.235 0.000 2.134 286 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 286 F C 2.523 178.327 175.800 0.006 0.000 1.097 286 F CA 1.095 59.049 58.000 -0.076 0.000 1.264 286 F CB -0.395 38.646 39.000 0.068 0.000 1.001 286 F HN 0.251 nan 8.300 nan 0.000 0.479 287 A N -0.238 122.703 122.820 0.203 0.000 1.902 287 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 287 A C 2.138 179.766 177.584 0.074 0.000 1.181 287 A CA 1.616 53.764 52.037 0.186 0.000 0.623 287 A CB -0.720 18.370 19.000 0.151 0.000 0.818 287 A HN 0.466 nan 8.150 nan 0.000 0.443 288 Q N -0.239 119.556 119.800 -0.008 0.000 2.167 288 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 288 Q C 2.119 178.017 176.000 -0.170 0.000 0.970 288 Q CA 0.949 56.723 55.803 -0.048 0.000 0.855 288 Q CB -0.474 28.253 28.738 -0.017 0.000 0.911 288 Q HN 0.763 nan 8.270 nan 0.000 0.438 289 L N -1.336 119.650 121.223 -0.394 0.000 2.081 289 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 289 L C 1.908 178.401 176.870 -0.627 0.000 1.080 289 L CA 1.409 55.864 54.840 -0.643 0.000 0.754 289 L CB -0.659 40.739 42.059 -1.102 0.000 0.893 289 L HN 0.321 nan 8.230 nan 0.000 0.433 290 W N -0.649 120.489 121.300 -0.270 0.000 2.825 290 W HA 0.068 4.728 4.660 -0.000 0.000 0.243 290 W C 2.206 178.652 176.519 -0.122 0.000 1.293 290 W CA 0.324 57.545 57.345 -0.208 0.000 1.403 290 W CB -0.215 29.107 29.460 -0.230 0.000 1.134 290 W HN 0.040 nan 8.180 nan 0.000 0.666 291 A N -0.299 122.543 122.820 0.037 0.000 2.275 291 A HA 0.040 4.360 4.320 -0.000 0.000 0.212 291 A C 0.132 177.722 177.584 0.009 0.000 1.201 291 A CA -0.066 51.991 52.037 0.033 0.000 0.843 291 A CB -0.528 18.485 19.000 0.022 0.000 0.873 291 A HN 0.109 nan 8.150 nan 0.000 0.492 292 D N 0.355 120.735 120.400 -0.033 0.000 2.458 292 D HA 0.109 4.749 4.640 -0.000 0.000 0.243 292 D C 0.573 176.889 176.300 0.026 0.000 1.146 292 D CA 0.616 54.600 54.000 -0.027 0.000 0.877 292 D CB 0.467 41.223 40.800 -0.074 0.000 1.176 292 D HN 0.373 nan 8.370 nan 0.000 0.461 293 E N 1.949 122.178 120.200 0.048 0.000 2.693 293 E HA 0.054 4.404 4.350 -0.000 0.000 0.214 293 E C -0.719 175.948 176.600 0.112 0.000 0.990 293 E CA -0.356 56.112 56.400 0.114 0.000 1.047 293 E CB 0.476 30.256 29.700 0.133 0.000 1.039 293 E HN 0.507 nan 8.360 nan 0.000 0.475 294 D N 1.138 121.576 120.400 0.063 0.000 2.458 294 D HA -0.060 4.580 4.640 -0.000 0.000 0.243 294 D C 0.549 176.899 176.300 0.084 0.000 1.146 294 D CA 0.845 54.878 54.000 0.055 0.000 0.877 294 D CB 0.324 41.136 40.800 0.020 0.000 1.176 294 D HN -0.028 nan 8.370 nan 0.000 0.461 295 N N 1.951 120.711 118.700 0.100 0.000 2.782 295 N HA -0.294 4.446 4.740 -0.000 0.000 0.251 295 N C -1.056 174.566 175.510 0.186 0.000 1.101 295 N CA 0.401 53.538 53.050 0.145 0.000 0.764 295 N CB -2.005 36.560 38.487 0.130 0.000 1.122 295 N HN 0.509 nan 8.380 nan 0.000 0.561 296 Y N 1.085 121.393 120.300 0.014 0.000 2.987 296 Y HA 0.037 4.587 4.550 -0.000 0.000 0.339 296 Y C -1.023 174.782 175.900 -0.159 0.000 1.272 296 Y CA 0.101 58.161 58.100 -0.066 0.000 1.562 296 Y CB 0.695 39.117 38.460 -0.062 0.000 1.253 296 Y HN 0.160 nan 8.280 nan 0.000 0.604 297 P HA 0.004 nan 4.420 nan 0.000 0.255 297 P C -0.074 176.748 177.300 -0.797 0.000 1.248 297 P CA 0.631 62.925 63.100 -1.343 0.000 0.807 297 P CB -0.065 30.880 31.700 -1.259 0.000 1.150 298 F N 0.929 120.742 119.950 -0.228 0.000 2.696 298 F HA 0.114 4.641 4.527 -0.000 0.000 0.296 298 F C 1.393 177.140 175.800 -0.088 0.000 1.181 298 F CA -0.396 57.521 58.000 -0.138 0.000 1.411 298 F CB -0.945 38.002 39.000 -0.089 0.000 1.014 298 F HN -0.126 nan 8.300 nan 0.000 0.512 299 S N -0.635 115.069 115.700 0.006 0.000 2.624 299 S HA 0.305 4.775 4.470 -0.000 0.000 0.263 299 S C 1.517 176.135 174.600 0.030 0.000 1.287 299 S CA -0.733 57.492 58.200 0.042 0.000 0.990 299 S CB 1.095 64.333 63.200 0.063 0.000 0.950 299 S HN 0.243 nan 8.310 nan 0.000 0.561 300 I N -0.130 120.459 120.570 0.032 0.000 2.151 300 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 300 I C 1.620 177.771 176.117 0.056 0.000 1.080 300 I CA 1.161 62.482 61.300 0.036 0.000 1.339 300 I CB -0.240 37.754 38.000 -0.010 0.000 1.039 300 I HN 0.658 nan 8.210 nan 0.000 0.409 301 C N 3.618 122.949 119.300 0.051 0.000 2.218 301 C HA 0.239 4.699 4.460 -0.000 0.000 0.353 301 C C 0.988 175.989 174.990 0.018 0.000 1.070 301 C CA -0.665 58.385 59.018 0.054 0.000 1.497 301 C CB -1.610 26.173 27.740 0.071 0.000 1.951 301 C HN 0.211 nan 8.230 nan 0.000 0.493 302 R N 3.517 124.003 120.500 -0.023 0.000 2.539 302 R HA 0.596 4.935 4.340 -0.000 0.000 0.275 302 R C -0.158 176.071 176.300 -0.120 0.000 1.077 302 R CA 0.035 56.078 56.100 -0.097 0.000 1.097 302 R CB 0.800 31.047 30.300 -0.089 0.000 1.018 302 R HN 0.816 nan 8.270 nan 0.000 0.483 303 A N 3.303 125.965 122.820 -0.264 0.000 2.386 303 A HA 0.263 4.583 4.320 -0.000 0.000 0.311 303 A C -1.660 175.792 177.584 -0.220 0.000 1.068 303 A CA -0.646 51.257 52.037 -0.223 0.000 0.743 303 A CB 0.930 19.725 19.000 -0.342 0.000 1.258 303 A HN 0.777 nan 8.150 nan 0.000 0.429 304 Y N 1.119 121.315 120.300 -0.173 0.000 2.442 304 Y HA 0.444 4.994 4.550 -0.000 0.000 0.330 304 Y C 0.310 176.122 175.900 -0.147 0.000 1.129 304 Y CA 0.781 58.796 58.100 -0.143 0.000 1.365 304 Y CB 0.542 38.961 38.460 -0.068 0.000 1.233 304 Y HN 0.723 nan 8.280 nan 0.000 0.529 305 E N 5.530 125.243 120.200 -0.812 0.000 2.294 305 E HA 0.147 4.497 4.350 -0.000 0.000 0.272 305 E C -1.384 174.783 176.600 -0.723 0.000 0.896 305 E CA -0.654 55.378 56.400 -0.612 0.000 0.802 305 E CB 0.882 30.343 29.700 -0.398 0.000 1.267 305 E HN 0.743 nan 8.360 nan 0.000 0.406 306 E N 2.251 122.093 120.200 -0.598 0.000 2.614 306 E HA 0.061 4.411 4.350 -0.000 0.000 0.245 306 E C 0.741 177.222 176.600 -0.199 0.000 1.039 306 E CA 1.250 57.446 56.400 -0.340 0.000 0.948 306 E CB 0.490 30.142 29.700 -0.080 0.000 0.937 306 E HN 0.911 nan 8.360 nan 0.000 0.498 307 G N 3.468 112.170 108.800 -0.162 0.000 2.213 307 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.226 307 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.226 307 G C 0.915 175.779 174.900 -0.061 0.000 0.992 307 G CA 0.328 45.381 45.100 -0.079 0.000 0.632 307 G HN 0.498 nan 8.290 nan 0.000 0.511 308 K N -0.765 119.559 120.400 -0.127 0.000 2.410 308 K HA 0.367 4.686 4.320 -0.000 0.000 0.204 308 K C 0.488 177.063 176.600 -0.041 0.000 1.268 308 K CA 0.773 57.030 56.287 -0.050 0.000 0.896 308 K CB 0.883 33.269 32.500 -0.191 0.000 1.401 308 K HN 0.247 nan 8.250 nan 0.000 0.479 309 S N 0.416 115.950 115.700 -0.277 0.000 2.594 309 S HA 0.323 4.793 4.470 -0.000 0.000 0.296 309 S C -0.116 174.346 174.600 -0.230 0.000 1.124 309 S CA -0.563 57.498 58.200 -0.233 0.000 1.011 309 S CB 1.844 64.791 63.200 -0.421 0.000 1.016 309 S HN 0.141 nan 8.310 nan 0.000 0.485 310 R N 3.677 124.134 120.500 -0.072 0.000 2.246 310 R HA 0.375 4.715 4.340 -0.000 0.000 0.199 310 R C 0.796 177.158 176.300 0.102 0.000 0.984 310 R CA 1.100 57.240 56.100 0.067 0.000 1.015 310 R CB -0.253 30.092 30.300 0.075 0.000 0.930 310 R HN 0.665 nan 8.270 nan 0.000 0.475 311 G N -1.692 107.069 108.800 -0.065 0.000 2.818 311 G HA2 0.749 4.709 3.960 -0.000 0.000 0.286 311 G HA3 0.749 4.709 3.960 -0.000 0.000 0.286 311 G C -1.567 173.299 174.900 -0.056 0.000 1.364 311 G CA -0.273 44.756 45.100 -0.119 0.000 0.938 311 G HN 0.276 nan 8.290 nan 0.000 0.490 312 A N -1.065 121.719 122.820 -0.061 0.000 2.569 312 A HA 0.804 5.124 4.320 -0.000 0.000 0.290 312 A C -0.195 177.354 177.584 -0.058 0.000 1.136 312 A CA -0.525 51.486 52.037 -0.044 0.000 0.710 312 A CB 0.958 19.967 19.000 0.016 0.000 1.303 312 A HN 0.779 nan 8.150 nan 0.000 0.413 313 T N 1.903 116.433 114.554 -0.040 0.000 2.817 313 T HA 0.325 4.675 4.350 -0.000 0.000 0.295 313 T C 1.078 175.794 174.700 0.027 0.000 0.958 313 T CA 0.358 62.438 62.100 -0.034 0.000 1.157 313 T CB -0.260 68.599 68.868 -0.015 0.000 0.898 313 T HN 0.430 nan 8.240 nan 0.000 0.536 314 L N 3.057 124.323 121.223 0.072 0.000 2.470 314 L HA 0.395 4.735 4.340 -0.000 0.000 0.219 314 L C 0.249 177.326 176.870 0.347 0.000 1.071 314 L CA 0.128 55.096 54.840 0.213 0.000 0.850 314 L CB 0.104 42.356 42.059 0.322 0.000 1.040 314 L HN 0.669 nan 8.230 nan 0.000 0.475 315 F N -2.068 117.967 119.950 0.141 0.000 2.693 315 F HA 0.463 4.990 4.527 -0.000 0.000 0.309 315 F C -1.411 174.373 175.800 -0.026 0.000 1.129 315 F CA -1.212 56.812 58.000 0.040 0.000 0.948 315 F CB 1.193 40.203 39.000 0.017 0.000 1.315 315 F HN -0.220 nan 8.300 nan 0.000 0.447 316 N N 2.350 121.040 118.700 -0.017 0.000 2.269 316 N HA 0.649 5.389 4.740 -0.000 0.000 0.304 316 N C -2.076 173.314 175.510 -0.199 0.000 1.072 316 N CA -0.503 52.383 53.050 -0.273 0.000 0.802 316 N CB 2.641 40.973 38.487 -0.258 0.000 1.348 316 N HN 0.928 nan 8.380 nan 0.000 0.484 317 I N 3.451 123.772 120.570 -0.415 0.000 2.647 317 I HA 0.504 4.673 4.170 -0.000 0.000 0.295 317 I C -1.331 174.371 176.117 -0.692 0.000 1.078 317 I CA -0.835 60.180 61.300 -0.475 0.000 1.048 317 I CB 1.795 39.573 38.000 -0.371 0.000 1.239 317 I HN 0.512 nan 8.210 nan 0.000 0.421 318 I N 7.235 127.435 120.570 -0.617 0.000 2.447 318 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 318 I C -1.427 174.374 176.117 -0.528 0.000 1.023 318 I CA -0.584 60.462 61.300 -0.423 0.000 1.083 318 I CB 1.628 39.582 38.000 -0.076 0.000 1.245 318 I HN 0.394 nan 8.210 nan 0.000 0.434 319 Y N 3.752 123.912 120.300 -0.233 0.000 2.367 319 Y HA 0.245 4.794 4.550 -0.000 0.000 0.342 319 Y C 0.304 175.959 175.900 -0.408 0.000 0.979 319 Y CA -0.972 56.883 58.100 -0.407 0.000 1.161 319 Y CB 0.461 38.608 38.460 -0.521 0.000 1.155 319 Y HN 0.401 nan 8.280 nan 0.000 0.503 320 D N 2.777 123.101 120.400 -0.127 0.000 2.479 320 D HA 0.064 4.704 4.640 -0.000 0.000 0.218 320 D C 0.850 177.153 176.300 0.005 0.000 1.131 320 D CA 0.074 54.033 54.000 -0.069 0.000 0.916 320 D CB 0.137 40.933 40.800 -0.007 0.000 1.022 320 D HN 0.618 nan 8.370 nan 0.000 0.515 321 H N 2.564 121.693 119.070 0.098 0.000 2.389 321 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 321 H C 1.739 177.133 175.328 0.109 0.000 1.081 321 H CA 1.370 57.496 56.048 0.129 0.000 1.345 321 H CB 0.081 29.901 29.762 0.095 0.000 1.393 321 H HN 0.557 nan 8.280 nan 0.000 0.520 322 A N 1.222 124.150 122.820 0.179 0.000 1.940 322 A HA -0.179 4.140 4.320 -0.000 0.000 0.219 322 A C 2.317 179.973 177.584 0.120 0.000 1.176 322 A CA 1.508 53.620 52.037 0.124 0.000 0.631 322 A CB -0.239 18.808 19.000 0.080 0.000 0.814 322 A HN 0.329 nan 8.150 nan 0.000 0.446 323 R N -2.416 118.159 120.500 0.126 0.000 2.362 323 R HA 0.236 4.576 4.340 -0.000 0.000 0.227 323 R C 0.332 176.739 176.300 0.178 0.000 0.905 323 R CA 0.145 56.320 56.100 0.124 0.000 1.067 323 R CB 0.219 30.577 30.300 0.097 0.000 1.078 323 R HN 0.469 nan 8.270 nan 0.000 0.516 324 R N 2.095 122.739 120.500 0.240 0.000 3.264 324 R HA -0.188 4.152 4.340 -0.000 0.000 0.251 324 R C -1.389 175.221 176.300 0.516 0.000 0.971 324 R CA 0.766 57.093 56.100 0.378 0.000 0.658 324 R CB -1.191 29.281 30.300 0.286 0.000 1.095 324 R HN 0.334 nan 8.270 nan 0.000 0.443 325 E N -0.330 120.102 120.200 0.388 0.000 2.222 325 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 325 E C -0.989 175.614 176.600 0.005 0.000 0.884 325 E CA -0.455 56.099 56.400 0.258 0.000 0.764 325 E CB 1.991 31.760 29.700 0.114 0.000 1.169 325 E HN 0.375 nan 8.360 nan 0.000 0.413 326 A N 2.216 124.883 122.820 -0.255 0.000 2.304 326 A HA 0.487 4.807 4.320 -0.000 0.000 0.314 326 A C -0.443 176.931 177.584 -0.350 0.000 1.187 326 A CA -0.607 51.115 52.037 -0.525 0.000 0.810 326 A CB 1.056 19.436 19.000 -1.033 0.000 1.183 326 A HN 0.474 nan 8.150 nan 0.000 0.487 327 T N 2.381 116.735 114.554 -0.334 0.000 2.744 327 T HA 0.477 4.827 4.350 -0.000 0.000 0.291 327 T C -0.134 174.313 174.700 -0.422 0.000 0.957 327 T CA -0.147 61.768 62.100 -0.309 0.000 1.002 327 T CB 0.851 69.603 68.868 -0.193 0.000 0.919 327 T HN 0.404 nan 8.240 nan 0.000 0.468 328 V N 5.128 124.679 119.914 -0.605 0.000 2.435 328 V HA 0.513 4.632 4.120 -0.000 0.000 0.290 328 V C 0.162 175.909 176.094 -0.579 0.000 1.030 328 V CA -0.912 60.977 62.300 -0.685 0.000 0.881 328 V CB 1.542 32.677 31.823 -1.147 0.000 0.983 328 V HN 0.731 nan 8.190 nan 0.000 0.445 329 R N 3.584 123.907 120.500 -0.294 0.000 2.409 329 R HA 0.529 4.869 4.340 -0.000 0.000 0.313 329 R C -1.094 175.184 176.300 -0.037 0.000 0.953 329 R CA -0.803 55.201 56.100 -0.159 0.000 0.849 329 R CB 1.875 32.117 30.300 -0.096 0.000 1.171 329 R HN 0.563 nan 8.270 nan 0.000 0.458 330 L N 2.833 124.050 121.223 -0.009 0.000 2.349 330 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 330 L C 0.781 177.702 176.870 0.086 0.000 1.115 330 L CA 1.412 56.299 54.840 0.078 0.000 0.820 330 L CB 0.953 43.062 42.059 0.084 0.000 1.135 330 L HN 0.867 nan 8.230 nan 0.000 0.445 331 G N 4.582 113.456 108.800 0.124 0.000 2.542 331 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.235 331 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.235 331 G C -0.402 174.543 174.900 0.074 0.000 1.286 331 G CA -0.181 44.975 45.100 0.093 0.000 0.904 331 G HN 0.808 nan 8.290 nan 0.000 0.577 332 R N 1.243 121.777 120.500 0.057 0.000 2.265 332 R HA 0.386 4.726 4.340 -0.000 0.000 0.314 332 R C -1.665 174.661 176.300 0.044 0.000 1.053 332 R CA -1.254 54.876 56.100 0.050 0.000 0.931 332 R CB 1.359 31.694 30.300 0.057 0.000 1.024 332 R HN 0.239 nan 8.270 nan 0.000 0.457 333 P HA -0.179 nan 4.420 nan 0.000 0.223 333 P C 1.061 178.384 177.300 0.039 0.000 1.144 333 P CA 1.274 64.398 63.100 0.040 0.000 0.783 333 P CB 0.124 31.864 31.700 0.067 0.000 0.771 334 T N -3.043 111.537 114.554 0.043 0.000 2.759 334 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 334 T C 0.773 175.490 174.700 0.027 0.000 1.042 334 T CA 1.132 63.253 62.100 0.035 0.000 1.140 334 T CB -0.840 68.054 68.868 0.042 0.000 0.864 334 T HN 0.198 nan 8.240 nan 0.000 0.455 335 N N 0.344 119.062 118.700 0.030 0.000 2.827 335 N HA 0.317 5.057 4.740 -0.000 0.000 0.240 335 N C -3.807 171.720 175.510 0.028 0.000 1.352 335 N CA -1.725 51.340 53.050 0.025 0.000 0.760 335 N CB 0.840 39.341 38.487 0.022 0.000 1.426 335 N HN 0.078 nan 8.380 nan 0.000 0.561 336 P HA 0.177 nan 4.420 nan 0.000 0.269 336 P C 0.385 177.702 177.300 0.030 0.000 1.209 336 P CA -0.054 63.061 63.100 0.025 0.000 0.776 336 P CB 1.075 32.780 31.700 0.008 0.000 0.876 337 D N 0.745 121.168 120.400 0.038 0.000 2.144 337 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 337 D C 0.726 177.052 176.300 0.044 0.000 0.978 337 D CA 1.505 55.529 54.000 0.040 0.000 0.833 337 D CB 0.262 41.090 40.800 0.047 0.000 0.961 337 D HN 0.681 nan 8.370 nan 0.000 0.470 338 E N -1.553 118.678 120.200 0.052 0.000 2.439 338 E HA 0.503 4.853 4.350 -0.000 0.000 0.279 338 E C -1.158 175.474 176.600 0.053 0.000 1.077 338 E CA -0.922 55.521 56.400 0.072 0.000 0.849 338 E CB 1.986 31.754 29.700 0.114 0.000 1.408 338 E HN -0.072 nan 8.360 nan 0.000 0.457 339 M N 1.779 121.425 119.600 0.077 0.000 2.365 339 M HA 0.623 5.103 4.480 -0.000 0.000 0.287 339 M C -2.177 174.173 176.300 0.084 0.000 1.154 339 M CA -0.566 54.714 55.300 -0.032 0.000 0.941 339 M CB 1.780 34.360 32.600 -0.034 0.000 1.704 339 M HN 0.720 nan 8.290 nan 0.000 0.479 340 F N 1.787 121.695 119.950 -0.070 0.000 2.713 340 F HA 0.822 5.349 4.527 -0.000 0.000 0.311 340 F C -2.133 173.609 175.800 -0.097 0.000 1.141 340 F CA -1.104 56.847 58.000 -0.082 0.000 0.939 340 F CB 0.889 39.828 39.000 -0.102 0.000 1.325 340 F HN 0.186 nan 8.300 nan 0.000 0.453 341 V N 3.013 123.002 119.914 0.125 0.000 2.459 341 V HA 0.479 4.598 4.120 -0.000 0.000 0.295 341 V C -0.129 176.025 176.094 0.100 0.000 1.029 341 V CA -0.708 61.609 62.300 0.028 0.000 0.874 341 V CB 1.659 33.489 31.823 0.012 0.000 0.985 341 V HN 0.780 nan 8.190 nan 0.000 0.438 342 M N 5.577 125.204 119.600 0.046 0.000 2.238 342 M HA 0.612 5.091 4.480 -0.000 0.000 0.350 342 M C -0.250 176.096 176.300 0.078 0.000 1.138 342 M CA -0.225 55.103 55.300 0.046 0.000 1.040 342 M CB 1.444 34.094 32.600 0.083 0.000 1.639 342 M HN 0.583 nan 8.290 nan 0.000 0.451 343 R N 1.523 121.983 120.500 -0.067 0.000 2.836 343 R HA 0.672 5.011 4.340 -0.000 0.000 0.269 343 R C -1.626 174.452 176.300 -0.370 0.000 1.010 343 R CA -0.762 55.286 56.100 -0.086 0.000 0.930 343 R CB 2.173 32.491 30.300 0.030 0.000 1.218 343 R HN 0.448 nan 8.270 nan 0.000 0.473 344 F N 1.249 121.217 119.950 0.029 0.000 2.415 344 F HA 0.209 4.735 4.527 -0.000 0.000 0.348 344 F C 0.656 176.461 175.800 0.008 0.000 1.119 344 F CA -0.697 57.293 58.000 -0.015 0.000 1.069 344 F CB 0.987 39.930 39.000 -0.095 0.000 1.124 344 F HN 0.526 nan 8.300 nan 0.000 0.472 345 D N 0.804 121.301 120.400 0.162 0.000 2.506 345 D HA 0.154 4.794 4.640 -0.000 0.000 0.272 345 D C 0.583 176.942 176.300 0.099 0.000 1.214 345 D CA -0.481 53.583 54.000 0.105 0.000 1.067 345 D CB 0.439 41.281 40.800 0.070 0.000 1.117 345 D HN 0.588 nan 8.370 nan 0.000 0.578 346 E N -1.084 119.156 120.200 0.066 0.000 2.274 346 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 346 E C 1.472 178.098 176.600 0.044 0.000 0.996 346 E CA 0.562 56.991 56.400 0.049 0.000 0.840 346 E CB 0.157 29.878 29.700 0.036 0.000 0.772 346 E HN 0.393 nan 8.360 nan 0.000 0.491 347 E N 1.034 121.264 120.200 0.050 0.000 2.107 347 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 347 E C 1.553 178.187 176.600 0.057 0.000 0.982 347 E CA 0.746 57.173 56.400 0.046 0.000 0.809 347 E CB -0.119 29.606 29.700 0.042 0.000 0.756 347 E HN 0.273 nan 8.360 nan 0.000 0.459 348 D N 1.008 121.462 120.400 0.091 0.000 2.144 348 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 348 D C 1.759 178.088 176.300 0.048 0.000 0.984 348 D CA 0.918 54.990 54.000 0.120 0.000 0.834 348 D CB -0.031 40.931 40.800 0.270 0.000 0.955 348 D HN 0.362 nan 8.370 nan 0.000 0.465 349 E N 0.333 120.553 120.200 0.032 0.000 2.072 349 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 349 E C 2.182 178.776 176.600 -0.010 0.000 0.982 349 E CA 0.181 56.572 56.400 -0.015 0.000 0.803 349 E CB 0.086 29.782 29.700 -0.006 0.000 0.755 349 E HN 0.119 nan 8.360 nan 0.000 0.453 350 R N 0.814 121.319 120.500 0.008 0.000 2.083 350 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 350 R C 2.503 178.805 176.300 0.005 0.000 1.137 350 R CA 1.710 57.814 56.100 0.007 0.000 0.951 350 R CB -0.311 29.998 30.300 0.014 0.000 0.851 350 R HN 0.029 nan 8.270 nan 0.000 0.434 351 S N -0.295 115.412 115.700 0.012 0.000 2.370 351 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 351 S C 1.963 176.562 174.600 -0.002 0.000 1.033 351 S CA 1.340 59.548 58.200 0.012 0.000 1.011 351 S CB -0.259 62.957 63.200 0.027 0.000 0.852 351 S HN 0.549 nan 8.310 nan 0.000 0.457 352 A N 0.722 123.530 122.820 -0.020 0.000 2.019 352 A HA 0.115 4.435 4.320 -0.000 0.000 0.219 352 A C 2.038 179.603 177.584 -0.032 0.000 1.164 352 A CA 1.203 53.215 52.037 -0.040 0.000 0.644 352 A CB -0.540 18.410 19.000 -0.084 0.000 0.805 352 A HN 0.591 nan 8.150 nan 0.000 0.449 353 L N -1.260 119.949 121.223 -0.024 0.000 2.558 353 L HA 0.055 4.394 4.340 -0.000 0.000 0.225 353 L C 0.914 177.778 176.870 -0.010 0.000 1.128 353 L CA 0.318 55.147 54.840 -0.018 0.000 0.868 353 L CB -0.275 41.775 42.059 -0.016 0.000 1.006 353 L HN 0.504 nan 8.230 nan 0.000 0.454 354 N N 0.515 119.212 118.700 -0.005 0.000 2.721 354 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 354 N C -0.166 175.344 175.510 0.000 0.000 1.072 354 N CA 0.709 53.759 53.050 0.000 0.000 0.710 354 N CB -0.583 37.904 38.487 -0.000 0.000 0.993 354 N HN 0.409 nan 8.380 nan 0.000 0.547 355 A N 0.382 123.202 122.820 0.001 0.000 2.279 355 A HA 0.776 5.095 4.320 -0.000 0.000 0.303 355 A C 0.812 178.399 177.584 0.004 0.000 1.108 355 A CA 0.591 52.629 52.037 0.001 0.000 0.830 355 A CB 0.724 19.724 19.000 -0.000 0.000 1.106 355 A HN 0.834 nan 8.150 nan 0.000 0.493 356 R N 0.000 120.502 120.500 0.003 0.000 2.786 356 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 356 R CA 0.000 56.103 56.100 0.004 0.000 0.921 356 R CB 0.000 30.304 30.300 0.006 0.000 0.687 356 R HN 0.000 nan 8.270 nan 0.000 0.535