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 2r60_1_A DATA FIRST_RESID 7 DATA SEQUENCE IKHVAFLNPQ GNFDPADSYW TEHPDFGGQL VYVKEVSLAL AEMGVQVDII DATA SEQUENCE TRRIKDENWP EFSGEIDYYQ ETNKVRIVRI PFGGDKFLPK EELWPYLHEY DATA SEQUENCE VNKIINFYRE EGKFPQVVTT HYGDGGLAGV LLKNIKGLPF TFTGHSLGAQ DATA SEQUENCE KMEKLNVNTS NFKEMDERFK FHRRIIAERL TMSYADKIIV STSQERFGQY DATA SEQUENCE SHDLYRGAVN VEDDDKFSVI PPGVNTRVFD GEYGDKIKAK ITKYLERDLG DATA SEQUENCE SERMELPAII ASSRLDQKKN HYGLVEAYVQ NKELQDKANL VLTLRGIENP DATA SEQUENCE FEDYSRAGQE EKEILGKIIE LIDNNDCRGK VSMFPLNSQQ ELAGCYAYLA DATA SEQUENCE SKGSVFALTS FYEPFGLAPV EAMASGLPAV VTRNGGPAEI LDGGKYGVLV DATA SEQUENCE DPEDPEDIAR GLLKAFESEE TWSAYQEKGK QRVEERYTWQ ETARGYLEVI DATA SEQUENCE QEIADR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.174 176.117 0.095 0.000 1.063 7 I CA 0.000 61.351 61.300 0.085 0.000 1.566 7 I CB 0.000 38.038 38.000 0.064 0.000 1.214 8 K N 0.020 120.487 120.400 0.113 0.000 2.443 8 K HA 0.196 4.519 4.320 0.004 0.000 0.200 8 K C 0.161 176.871 176.600 0.184 0.000 1.278 8 K CA 0.035 56.393 56.287 0.120 0.000 0.925 8 K CB 0.643 33.203 32.500 0.100 0.000 1.225 8 K HN 0.404 nan 8.250 nan 0.000 0.514 9 H N 0.658 119.769 119.070 0.068 0.000 2.934 9 H HA 0.345 4.903 4.556 0.004 0.000 0.340 9 H C -1.548 173.829 175.328 0.082 0.000 1.008 9 H CA -0.978 55.114 56.048 0.073 0.000 1.317 9 H CB 1.750 31.544 29.762 0.052 0.000 1.670 9 H HN -0.020 nan 8.280 nan 0.000 0.516 10 V N 2.019 122.079 119.914 0.243 0.000 3.040 10 V HA 0.961 5.083 4.120 0.004 0.000 0.312 10 V C -0.987 175.212 176.094 0.176 0.000 1.115 10 V CA -0.670 61.708 62.300 0.130 0.000 0.998 10 V CB 1.512 33.486 31.823 0.252 0.000 1.042 10 V HN 0.830 nan 8.190 nan 0.000 0.433 11 A N 2.435 125.343 122.820 0.147 0.000 2.355 11 A HA 0.902 5.224 4.320 0.004 0.000 0.317 11 A C -1.372 176.413 177.584 0.335 0.000 1.094 11 A CA -0.375 51.797 52.037 0.226 0.000 0.764 11 A CB 1.213 20.277 19.000 0.107 0.000 1.230 11 A HN 0.811 nan 8.150 nan 0.000 0.448 12 F N 2.138 122.140 119.950 0.087 0.000 2.388 12 F HA 0.424 4.954 4.527 0.004 0.000 0.358 12 F C 0.032 175.920 175.800 0.147 0.000 1.122 12 F CA -0.728 57.361 58.000 0.148 0.000 1.056 12 F CB 1.567 40.585 39.000 0.029 0.000 1.155 12 F HN 0.372 nan 8.300 nan 0.000 0.461 13 L N 4.894 126.304 121.223 0.311 0.000 2.261 13 L HA 0.360 4.702 4.340 0.004 0.000 0.289 13 L C 0.188 177.275 176.870 0.360 0.000 1.059 13 L CA -0.253 54.770 54.840 0.306 0.000 0.816 13 L CB 0.452 42.643 42.059 0.220 0.000 1.191 13 L HN 0.572 nan 8.230 nan 0.000 0.431 14 N N 5.543 124.435 118.700 0.319 0.000 2.726 14 N HA 0.190 4.932 4.740 0.004 0.000 0.253 14 N C -2.030 173.564 175.510 0.140 0.000 1.530 14 N CA -1.171 52.038 53.050 0.266 0.000 0.772 14 N CB 1.746 40.450 38.487 0.361 0.000 1.220 14 N HN 0.257 nan 8.380 nan 0.000 0.508 15 P HA -0.164 nan 4.420 nan 0.000 0.218 15 P C 0.447 177.594 177.300 -0.254 0.000 1.149 15 P CA 1.122 64.045 63.100 -0.295 0.000 0.817 15 P CB 0.432 31.733 31.700 -0.665 0.000 0.785 16 Q N -0.422 119.212 119.800 -0.278 0.000 2.318 16 Q HA 0.404 4.746 4.340 0.004 0.000 0.222 16 Q C 0.969 176.684 176.000 -0.474 0.000 1.003 16 Q CA -0.171 55.396 55.803 -0.395 0.000 0.936 16 Q CB 0.102 28.566 28.738 -0.457 0.000 1.204 16 Q HN 0.107 nan 8.270 nan 0.000 0.524 17 G N 1.043 109.470 108.800 -0.622 0.000 2.614 17 G HA2 -0.368 3.595 3.960 0.004 0.000 0.303 17 G HA3 -0.368 3.595 3.960 0.004 0.000 0.303 17 G C -0.206 174.142 174.900 -0.919 0.000 1.270 17 G CA 0.435 44.830 45.100 -1.174 0.000 0.988 17 G HN 0.972 nan 8.290 nan 0.000 0.551 18 N N -2.623 115.460 118.700 -1.028 0.000 3.413 18 N HA 0.542 5.284 4.740 0.004 0.000 0.273 18 N C -1.989 172.910 175.510 -1.018 0.000 1.458 18 N CA -0.300 52.249 53.050 -0.835 0.000 0.860 18 N CB 0.745 38.466 38.487 -1.277 0.000 1.556 18 N HN 0.456 nan 8.380 nan 0.000 0.475 19 F N 0.715 120.606 119.950 -0.098 0.000 2.608 19 F HA 0.439 4.968 4.527 0.004 0.000 0.309 19 F C -0.566 175.306 175.800 0.121 0.000 1.103 19 F CA -0.562 57.503 58.000 0.110 0.000 0.954 19 F CB 2.102 41.139 39.000 0.061 0.000 1.267 19 F HN 0.308 nan 8.300 nan 0.000 0.444 20 D N 1.220 121.774 120.400 0.256 0.000 2.683 20 D HA 0.199 4.842 4.640 0.004 0.000 0.246 20 D C -2.891 173.411 176.300 0.004 0.000 1.238 20 D CA -1.671 52.386 54.000 0.096 0.000 0.759 20 D CB 1.948 42.894 40.800 0.244 0.000 1.349 20 D HN 0.133 nan 8.370 nan 0.000 0.426 21 P HA -0.069 nan 4.420 nan 0.000 0.218 21 P C 0.972 178.295 177.300 0.037 0.000 1.146 21 P CA 2.253 65.375 63.100 0.037 0.000 0.820 21 P CB 0.129 31.826 31.700 -0.004 0.000 0.778 22 A N -1.468 121.311 122.820 -0.068 0.000 2.345 22 A HA 0.090 4.413 4.320 0.004 0.000 0.225 22 A C 0.076 177.461 177.584 -0.331 0.000 1.243 22 A CA -0.036 51.898 52.037 -0.172 0.000 0.875 22 A CB -0.705 18.178 19.000 -0.194 0.000 0.929 22 A HN 0.039 nan 8.150 nan 0.000 0.502 23 D N 0.976 121.156 120.400 -0.367 0.000 2.735 23 D HA -0.121 4.522 4.640 0.004 0.000 0.235 23 D C -0.321 175.500 176.300 -0.797 0.000 1.175 23 D CA 1.281 54.739 54.000 -0.903 0.000 0.683 23 D CB -1.722 37.996 40.800 -1.802 0.000 1.008 23 D HN 0.385 nan 8.370 nan 0.000 0.416 24 S N -0.443 115.023 115.700 -0.389 0.000 2.549 24 S HA 0.161 4.633 4.470 0.004 0.000 0.283 24 S C 0.742 175.133 174.600 -0.348 0.000 1.320 24 S CA -0.252 57.629 58.200 -0.532 0.000 1.058 24 S CB 0.506 63.260 63.200 -0.744 0.000 0.882 24 S HN 0.366 nan 8.310 nan 0.000 0.498 25 Y N -2.454 117.770 120.300 -0.126 0.000 4.929 25 Y HA -0.174 4.378 4.550 0.004 0.000 0.253 25 Y C 0.196 176.205 175.900 0.183 0.000 0.946 25 Y CA 0.148 58.162 58.100 -0.145 0.000 1.905 25 Y CB -2.668 35.435 38.460 -0.595 0.000 1.400 25 Y HN 0.635 nan 8.280 nan 0.000 0.531 26 W N 1.254 122.649 121.300 0.159 0.000 2.231 26 W HA 0.399 5.062 4.660 0.004 0.000 0.341 26 W C 1.539 178.153 176.519 0.158 0.000 1.298 26 W CA 1.642 59.110 57.345 0.205 0.000 1.266 26 W CB -0.479 29.065 29.460 0.139 0.000 1.172 26 W HN 0.466 nan 8.180 nan 0.000 0.568 27 T N 0.719 115.485 114.554 0.354 0.000 3.882 27 T HA -0.282 4.071 4.350 0.004 0.000 0.366 27 T C 0.566 175.392 174.700 0.210 0.000 0.760 27 T CA 1.838 64.076 62.100 0.229 0.000 1.931 27 T CB -1.736 67.249 68.868 0.195 0.000 1.807 27 T HN 0.632 nan 8.240 nan 0.000 0.790 28 E N -1.794 118.557 120.200 0.251 0.000 2.671 28 E HA 0.234 4.586 4.350 0.004 0.000 0.204 28 E C 0.000 176.754 176.600 0.257 0.000 0.940 28 E CA -0.205 56.317 56.400 0.203 0.000 1.328 28 E CB 0.891 30.701 29.700 0.182 0.000 1.214 28 E HN 0.894 nan 8.360 nan 0.000 0.624 29 H N -1.094 118.105 119.070 0.214 0.000 3.064 29 H HA 0.212 4.770 4.556 0.004 0.000 0.352 29 H C -2.502 172.989 175.328 0.272 0.000 1.260 29 H CA -1.395 54.804 56.048 0.252 0.000 1.160 29 H CB 1.930 31.906 29.762 0.357 0.000 1.879 29 H HN -0.227 nan 8.280 nan 0.000 0.544 30 P HA -0.054 nan 4.420 nan 0.000 0.218 30 P C 0.161 177.466 177.300 0.008 0.000 1.149 30 P CA 1.177 64.193 63.100 -0.140 0.000 0.817 30 P CB 0.337 31.910 31.700 -0.213 0.000 0.785 31 D N -2.098 118.430 120.400 0.214 0.000 2.340 31 D HA 0.070 4.712 4.640 0.004 0.000 0.220 31 D C -0.151 176.056 176.300 -0.154 0.000 1.039 31 D CA 0.428 54.482 54.000 0.089 0.000 0.866 31 D CB -0.285 40.606 40.800 0.151 0.000 0.913 31 D HN 0.230 nan 8.370 nan 0.000 0.523 32 F N 0.331 120.395 119.950 0.191 0.000 2.453 32 F HA 0.529 5.058 4.527 0.004 0.000 0.358 32 F C 1.040 176.867 175.800 0.044 0.000 1.129 32 F CA -0.683 57.408 58.000 0.150 0.000 1.200 32 F CB 1.512 40.726 39.000 0.357 0.000 1.431 32 F HN -0.198 nan 8.300 nan 0.000 0.503 33 G N 0.086 108.867 108.800 -0.031 0.000 3.195 33 G HA2 0.404 4.367 3.960 0.004 0.000 0.217 33 G HA3 0.404 4.367 3.960 0.004 0.000 0.217 33 G C 1.051 175.801 174.900 -0.251 0.000 1.166 33 G CA -0.027 45.014 45.100 -0.098 0.000 0.812 33 G HN 0.416 nan 8.290 nan 0.000 0.617 34 G N -0.554 108.162 108.800 -0.140 0.000 2.485 34 G HA2 -0.233 3.729 3.960 0.004 0.000 0.221 34 G HA3 -0.233 3.729 3.960 0.004 0.000 0.221 34 G C 1.513 176.361 174.900 -0.087 0.000 1.115 34 G CA 1.622 46.664 45.100 -0.096 0.000 0.751 34 G HN 0.591 nan 8.290 nan 0.000 0.567 35 Q N -0.320 119.379 119.800 -0.169 0.000 2.124 35 Q HA -0.002 4.340 4.340 0.004 0.000 0.202 35 Q C 2.507 178.370 176.000 -0.227 0.000 0.977 35 Q CA 0.845 56.438 55.803 -0.351 0.000 0.850 35 Q CB -0.181 28.269 28.738 -0.481 0.000 0.901 35 Q HN 0.546 nan 8.270 nan 0.000 0.429 36 L N -0.264 120.814 121.223 -0.242 0.000 2.056 36 L HA -0.143 4.199 4.340 0.004 0.000 0.207 36 L C 2.413 179.252 176.870 -0.052 0.000 1.078 36 L CA 0.678 55.439 54.840 -0.132 0.000 0.749 36 L CB -0.526 41.346 42.059 -0.310 0.000 0.901 36 L HN 0.122 nan 8.230 nan 0.000 0.433 37 V N -0.618 119.052 119.914 -0.407 0.000 2.287 37 V HA -0.365 3.757 4.120 0.004 0.000 0.248 37 V C 2.267 178.211 176.094 -0.251 0.000 1.053 37 V CA 2.097 64.135 62.300 -0.438 0.000 1.027 37 V CB -0.843 30.680 31.823 -0.499 0.000 0.646 37 V HN 0.391 nan 8.190 nan 0.000 0.447 38 Y N 0.663 120.813 120.300 -0.249 0.000 2.097 38 Y HA -0.264 4.289 4.550 0.004 0.000 0.282 38 Y C 2.509 178.215 175.900 -0.324 0.000 1.152 38 Y CA 2.185 60.137 58.100 -0.247 0.000 1.136 38 Y CB -0.186 38.393 38.460 0.198 0.000 0.975 38 Y HN 0.028 nan 8.280 nan 0.000 0.498 39 V N 1.222 121.229 119.914 0.155 0.000 2.343 39 V HA -0.327 3.796 4.120 0.004 0.000 0.247 39 V C 2.404 178.343 176.094 -0.259 0.000 1.051 39 V CA 2.332 64.616 62.300 -0.026 0.000 1.036 39 V CB -0.720 31.102 31.823 -0.002 0.000 0.654 39 V HN 0.401 nan 8.190 nan 0.000 0.451 40 K N -0.129 120.205 120.400 -0.111 0.000 2.002 40 K HA -0.215 4.108 4.320 0.004 0.000 0.209 40 K C 2.173 178.514 176.600 -0.433 0.000 1.048 40 K CA 1.696 57.873 56.287 -0.183 0.000 0.930 40 K CB -0.131 32.403 32.500 0.058 0.000 0.714 40 K HN 0.367 nan 8.250 nan 0.000 0.438 41 E N 0.540 120.367 120.200 -0.623 0.000 2.106 41 E HA -0.125 4.227 4.350 0.004 0.000 0.192 41 E C 2.154 178.358 176.600 -0.660 0.000 0.984 41 E CA 0.924 56.816 56.400 -0.846 0.000 0.806 41 E CB -0.207 28.420 29.700 -1.787 0.000 0.750 41 E HN 0.175 nan 8.360 nan 0.000 0.458 42 V N 1.162 120.677 119.914 -0.664 0.000 2.427 42 V HA -0.185 3.938 4.120 0.004 0.000 0.248 42 V C 2.368 178.234 176.094 -0.380 0.000 1.051 42 V CA 1.616 63.681 62.300 -0.393 0.000 1.048 42 V CB -0.435 31.135 31.823 -0.421 0.000 0.666 42 V HN 0.174 nan 8.190 nan 0.000 0.456 43 S N 0.106 115.459 115.700 -0.579 0.000 2.356 43 S HA -0.118 4.355 4.470 0.004 0.000 0.223 43 S C 1.915 176.327 174.600 -0.314 0.000 1.032 43 S CA 1.498 59.320 58.200 -0.629 0.000 1.005 43 S CB -0.344 62.416 63.200 -0.733 0.000 0.867 43 S HN 0.454 nan 8.310 nan 0.000 0.449 44 L N 0.872 121.931 121.223 -0.273 0.000 2.083 44 L HA -0.111 4.231 4.340 0.004 0.000 0.209 44 L C 2.673 179.484 176.870 -0.099 0.000 1.083 44 L CA 1.150 55.891 54.840 -0.166 0.000 0.752 44 L CB -0.554 41.378 42.059 -0.211 0.000 0.899 44 L HN 0.330 nan 8.230 nan 0.000 0.433 45 A N -0.381 122.380 122.820 -0.098 0.000 1.968 45 A HA -0.073 4.249 4.320 0.004 0.000 0.217 45 A C 2.216 179.803 177.584 0.006 0.000 1.169 45 A CA 0.894 52.923 52.037 -0.012 0.000 0.638 45 A CB -0.427 18.601 19.000 0.046 0.000 0.812 45 A HN 0.337 nan 8.150 nan 0.000 0.446 46 L N -0.823 120.389 121.223 -0.019 0.000 2.141 46 L HA -0.156 4.187 4.340 0.004 0.000 0.209 46 L C 3.042 179.928 176.870 0.026 0.000 1.094 46 L CA 0.862 55.720 54.840 0.030 0.000 0.763 46 L CB -0.406 41.676 42.059 0.040 0.000 0.908 46 L HN 0.449 nan 8.230 nan 0.000 0.437 47 A N -0.428 122.388 122.820 -0.006 0.000 1.902 47 A HA -0.195 4.128 4.320 0.004 0.000 0.217 47 A C 2.130 179.728 177.584 0.023 0.000 1.181 47 A CA 1.329 53.374 52.037 0.012 0.000 0.623 47 A CB -0.340 18.662 19.000 0.004 0.000 0.818 47 A HN 0.340 nan 8.150 nan 0.000 0.443 48 E N -0.398 119.813 120.200 0.018 0.000 2.265 48 E HA -0.127 4.225 4.350 0.004 0.000 0.196 48 E C 1.500 178.120 176.600 0.033 0.000 0.996 48 E CA 0.998 57.413 56.400 0.025 0.000 0.832 48 E CB -0.242 29.473 29.700 0.026 0.000 0.756 48 E HN 0.735 nan 8.360 nan 0.000 0.491 49 M N -0.930 118.694 119.600 0.041 0.000 2.494 49 M HA 0.149 4.631 4.480 0.004 0.000 0.232 49 M C 0.960 177.289 176.300 0.048 0.000 1.137 49 M CA 0.484 55.812 55.300 0.048 0.000 1.012 49 M CB 0.709 33.346 32.600 0.062 0.000 1.567 49 M HN 0.103 nan 8.290 nan 0.000 0.486 50 G N 1.088 109.914 108.800 0.043 0.000 2.137 50 G HA2 -0.183 3.780 3.960 0.004 0.000 0.237 50 G HA3 -0.183 3.780 3.960 0.004 0.000 0.237 50 G C -0.155 174.777 174.900 0.054 0.000 1.002 50 G CA -0.314 44.812 45.100 0.043 0.000 0.702 50 G HN 0.332 nan 8.290 nan 0.000 0.515 51 V N 0.512 120.465 119.914 0.065 0.000 2.472 51 V HA 0.604 4.727 4.120 0.004 0.000 0.290 51 V C 0.518 176.665 176.094 0.088 0.000 1.037 51 V CA -0.683 61.671 62.300 0.089 0.000 0.908 51 V CB 1.836 33.728 31.823 0.115 0.000 0.985 51 V HN 0.446 nan 8.190 nan 0.000 0.454 52 Q N 3.995 123.858 119.800 0.105 0.000 2.294 52 Q HA 0.448 4.790 4.340 0.004 0.000 0.257 52 Q C -1.135 174.987 176.000 0.202 0.000 0.955 52 Q CA 0.080 55.940 55.803 0.094 0.000 0.936 52 Q CB 1.306 30.024 28.738 -0.034 0.000 1.188 52 Q HN 0.542 nan 8.270 nan 0.000 0.420 53 V N 4.666 124.661 119.914 0.134 0.000 2.444 53 V HA 0.379 4.501 4.120 0.004 0.000 0.294 53 V C -0.827 175.320 176.094 0.088 0.000 1.022 53 V CA -0.925 61.447 62.300 0.120 0.000 0.850 53 V CB 1.867 33.642 31.823 -0.080 0.000 0.992 53 V HN 0.756 nan 8.190 nan 0.000 0.426 54 D N 4.770 125.278 120.400 0.181 0.000 2.280 54 D HA 0.464 5.107 4.640 0.004 0.000 0.236 54 D C -0.182 176.142 176.300 0.039 0.000 1.082 54 D CA -0.068 53.999 54.000 0.112 0.000 0.834 54 D CB 2.240 43.191 40.800 0.251 0.000 1.100 54 D HN 0.381 nan 8.370 nan 0.000 0.486 55 I N 3.766 124.264 120.570 -0.119 0.000 2.287 55 I HA 0.209 4.381 4.170 0.004 0.000 0.290 55 I C 0.321 176.357 176.117 -0.135 0.000 1.069 55 I CA -0.417 60.757 61.300 -0.210 0.000 1.237 55 I CB 0.459 38.124 38.000 -0.559 0.000 1.418 55 I HN 0.122 nan 8.210 nan 0.000 0.481 56 I N 5.945 126.515 120.570 -0.000 0.000 2.312 56 I HA 0.250 4.422 4.170 0.004 0.000 0.291 56 I C 0.544 176.783 176.117 0.203 0.000 1.031 56 I CA 0.217 61.542 61.300 0.041 0.000 1.293 56 I CB 1.191 39.200 38.000 0.016 0.000 1.403 56 I HN 0.525 nan 8.210 nan 0.000 0.484 57 T N 5.651 120.316 114.554 0.186 0.000 2.604 57 T HA 0.446 4.799 4.350 0.004 0.000 0.267 57 T C -0.504 174.295 174.700 0.165 0.000 0.923 57 T CA -0.689 61.528 62.100 0.195 0.000 1.077 57 T CB 1.590 70.606 68.868 0.246 0.000 1.392 57 T HN 0.578 nan 8.240 nan 0.000 0.531 58 R N 0.979 121.484 120.500 0.008 0.000 2.474 58 R HA 0.517 4.860 4.340 0.004 0.000 0.295 58 R C -0.322 175.924 176.300 -0.089 0.000 0.980 58 R CA -0.683 55.376 56.100 -0.068 0.000 0.934 58 R CB 0.877 30.927 30.300 -0.417 0.000 1.101 58 R HN 0.485 nan 8.270 nan 0.000 0.469 59 R N 4.691 125.154 120.500 -0.063 0.000 2.265 59 R HA 0.276 4.619 4.340 0.004 0.000 0.314 59 R C -0.790 175.469 176.300 -0.068 0.000 1.053 59 R CA -0.140 55.949 56.100 -0.018 0.000 0.931 59 R CB 0.488 30.792 30.300 0.007 0.000 1.024 59 R HN 0.537 nan 8.270 nan 0.000 0.457 60 I N 4.950 125.539 120.570 0.032 0.000 2.418 60 I HA 0.257 4.430 4.170 0.004 0.000 0.287 60 I C -0.291 175.877 176.117 0.086 0.000 1.008 60 I CA -0.667 60.655 61.300 0.036 0.000 1.104 60 I CB 2.018 40.099 38.000 0.134 0.000 1.264 60 I HN 0.474 nan 8.210 nan 0.000 0.438 61 K N 5.126 125.547 120.400 0.035 0.000 2.499 61 K HA 0.306 4.628 4.320 0.004 0.000 0.215 61 K C -1.190 175.442 176.600 0.053 0.000 1.041 61 K CA -0.419 55.893 56.287 0.042 0.000 1.031 61 K CB 0.787 33.294 32.500 0.012 0.000 1.479 61 K HN 0.434 nan 8.250 nan 0.000 0.518 62 D N 1.783 122.248 120.400 0.108 0.000 2.890 62 D HA 0.056 4.698 4.640 0.004 0.000 0.233 62 D C 0.398 176.781 176.300 0.137 0.000 1.306 62 D CA -0.261 53.824 54.000 0.142 0.000 0.929 62 D CB 1.550 42.494 40.800 0.241 0.000 1.512 62 D HN 0.167 nan 8.370 nan 0.000 0.568 63 E N 1.930 122.168 120.200 0.063 0.000 2.401 63 E HA -0.089 4.263 4.350 0.004 0.000 0.199 63 E C 0.763 177.333 176.600 -0.051 0.000 1.023 63 E CA 0.543 56.946 56.400 0.006 0.000 0.859 63 E CB 0.262 29.954 29.700 -0.014 0.000 0.780 63 E HN 0.463 nan 8.360 nan 0.000 0.523 64 N N -0.841 117.827 118.700 -0.052 0.000 2.422 64 N HA -0.076 4.666 4.740 0.004 0.000 0.181 64 N C -0.226 174.887 175.510 -0.662 0.000 1.080 64 N CA 0.380 53.237 53.050 -0.321 0.000 0.893 64 N CB 0.212 38.510 38.487 -0.315 0.000 0.973 64 N HN 0.181 nan 8.380 nan 0.000 0.456 65 W N 1.052 122.256 121.300 -0.160 0.000 1.590 65 W HA 0.362 5.025 4.660 0.004 0.000 0.299 65 W C -1.824 174.615 176.519 -0.134 0.000 0.872 65 W CA -1.241 55.998 57.345 -0.177 0.000 1.961 65 W CB 0.797 30.203 29.460 -0.091 0.000 2.140 65 W HN -0.100 nan 8.180 nan 0.000 0.433 66 P HA -0.185 nan 4.420 nan 0.000 0.218 66 P C 0.748 177.958 177.300 -0.150 0.000 1.149 66 P CA 1.702 64.763 63.100 -0.065 0.000 0.817 66 P CB 0.536 32.182 31.700 -0.090 0.000 0.785 67 E N -0.885 119.102 120.200 -0.355 0.000 2.463 67 E HA -0.076 4.277 4.350 0.004 0.000 0.201 67 E C 0.398 176.726 176.600 -0.454 0.000 1.045 67 E CA 0.812 56.898 56.400 -0.523 0.000 0.872 67 E CB -0.733 28.488 29.700 -0.798 0.000 0.797 67 E HN 0.384 nan 8.360 nan 0.000 0.538 68 F N -0.874 119.151 119.950 0.126 0.000 2.855 68 F HA 0.322 4.852 4.527 0.004 0.000 0.317 68 F C 1.159 176.993 175.800 0.055 0.000 1.169 68 F CA -0.495 57.565 58.000 0.099 0.000 1.299 68 F CB 0.196 39.282 39.000 0.143 0.000 0.962 68 F HN -0.149 nan 8.300 nan 0.000 0.506 69 S N -0.390 115.398 115.700 0.148 0.000 2.439 69 S HA 0.101 4.573 4.470 0.004 0.000 0.224 69 S C 1.575 176.218 174.600 0.071 0.000 1.029 69 S CA 0.431 58.685 58.200 0.091 0.000 0.946 69 S CB -0.210 63.020 63.200 0.049 0.000 0.797 69 S HN 0.411 nan 8.310 nan 0.000 0.504 70 G N 1.040 109.881 108.800 0.068 0.000 2.491 70 G HA2 0.227 4.190 3.960 0.004 0.000 0.242 70 G HA3 0.227 4.190 3.960 0.004 0.000 0.242 70 G C 0.287 175.215 174.900 0.046 0.000 1.266 70 G CA -0.380 44.750 45.100 0.050 0.000 0.844 70 G HN 0.381 nan 8.290 nan 0.000 0.571 71 E N 0.382 120.604 120.200 0.038 0.000 2.358 71 E HA -0.011 4.341 4.350 0.004 0.000 0.195 71 E C 0.388 176.983 176.600 -0.008 0.000 1.010 71 E CA 0.408 56.822 56.400 0.023 0.000 0.856 71 E CB 0.063 29.794 29.700 0.052 0.000 0.795 71 E HN 0.269 nan 8.360 nan 0.000 0.504 72 I N 1.192 121.763 120.570 0.002 0.000 2.582 72 I HA 0.390 4.562 4.170 0.004 0.000 0.292 72 I C -0.654 175.422 176.117 -0.068 0.000 1.066 72 I CA -0.750 60.521 61.300 -0.049 0.000 1.053 72 I CB 1.701 39.723 38.000 0.037 0.000 1.241 72 I HN -0.067 nan 8.210 nan 0.000 0.421 73 D N 3.772 124.036 120.400 -0.226 0.000 2.583 73 D HA 0.598 5.241 4.640 0.004 0.000 0.248 73 D C -1.797 174.231 176.300 -0.452 0.000 1.209 73 D CA -0.098 53.795 54.000 -0.178 0.000 0.848 73 D CB 2.451 43.184 40.800 -0.113 0.000 1.431 73 D HN 0.267 nan 8.370 nan 0.000 0.436 74 Y N -0.194 120.007 120.300 -0.164 0.000 2.597 74 Y HA 0.412 4.964 4.550 0.004 0.000 0.340 74 Y C -0.678 175.071 175.900 -0.251 0.000 1.097 74 Y CA -0.814 57.177 58.100 -0.182 0.000 1.037 74 Y CB 1.294 39.714 38.460 -0.066 0.000 1.305 74 Y HN 0.215 nan 8.280 nan 0.000 0.463 75 Y N 1.125 121.525 120.300 0.167 0.000 2.335 75 Y HA 0.108 4.661 4.550 0.004 0.000 0.323 75 Y C 1.535 177.482 175.900 0.079 0.000 1.224 75 Y CA -0.402 57.748 58.100 0.085 0.000 1.241 75 Y CB 1.040 39.527 38.460 0.044 0.000 1.235 75 Y HN 0.624 nan 8.280 nan 0.000 0.492 76 Q N 1.388 121.318 119.800 0.217 0.000 2.061 76 Q HA -0.236 4.106 4.340 0.004 0.000 0.204 76 Q C 1.256 177.310 176.000 0.091 0.000 0.984 76 Q CA 2.307 58.176 55.803 0.111 0.000 0.846 76 Q CB 0.141 28.922 28.738 0.073 0.000 0.902 76 Q HN 0.884 nan 8.270 nan 0.000 0.421 77 E N 0.160 120.420 120.200 0.101 0.000 2.114 77 E HA -0.098 4.254 4.350 0.004 0.000 0.199 77 E C 0.924 177.559 176.600 0.058 0.000 1.008 77 E CA 1.480 57.917 56.400 0.061 0.000 0.810 77 E CB -0.157 29.566 29.700 0.038 0.000 0.739 77 E HN 0.283 nan 8.360 nan 0.000 0.456 78 T N -1.827 112.783 114.554 0.095 0.000 2.762 78 T HA 0.337 4.689 4.350 0.004 0.000 0.301 78 T C -0.926 173.833 174.700 0.098 0.000 1.299 78 T CA -0.359 61.786 62.100 0.074 0.000 1.005 78 T CB 0.802 69.712 68.868 0.070 0.000 1.377 78 T HN 0.140 nan 8.240 nan 0.000 0.504 79 N N 0.299 119.028 118.700 0.049 0.000 2.184 79 N HA 0.242 4.984 4.740 0.004 0.000 0.206 79 N C 0.742 176.342 175.510 0.150 0.000 1.151 79 N CA -0.166 52.898 53.050 0.024 0.000 0.878 79 N CB 0.297 38.697 38.487 -0.146 0.000 1.014 79 N HN 0.216 nan 8.380 nan 0.000 0.512 80 K N -0.208 120.263 120.400 0.118 0.000 2.365 80 K HA 0.263 4.585 4.320 0.004 0.000 0.197 80 K C -0.380 176.283 176.600 0.105 0.000 1.042 80 K CA 0.228 56.572 56.287 0.095 0.000 0.987 80 K CB 0.442 32.975 32.500 0.055 0.000 0.779 80 K HN 0.086 nan 8.250 nan 0.000 0.484 81 V N 1.706 121.703 119.914 0.138 0.000 2.357 81 V HA 0.341 4.463 4.120 0.004 0.000 0.284 81 V C -0.534 175.582 176.094 0.037 0.000 1.018 81 V CA -0.908 61.435 62.300 0.072 0.000 0.841 81 V CB 1.425 33.297 31.823 0.082 0.000 0.991 81 V HN 0.047 nan 8.190 nan 0.000 0.437 82 R N 5.499 125.942 120.500 -0.096 0.000 2.393 82 R HA 0.598 4.940 4.340 0.004 0.000 0.315 82 R C -1.055 175.030 176.300 -0.360 0.000 0.952 82 R CA -0.658 55.200 56.100 -0.403 0.000 0.842 82 R CB 1.174 31.351 30.300 -0.204 0.000 1.163 82 R HN 0.672 nan 8.270 nan 0.000 0.450 83 I N 5.293 125.576 120.570 -0.478 0.000 2.337 83 I HA 0.169 4.341 4.170 0.004 0.000 0.291 83 I C -0.432 175.528 176.117 -0.261 0.000 1.046 83 I CA -0.661 60.451 61.300 -0.313 0.000 1.324 83 I CB 1.593 39.429 38.000 -0.273 0.000 1.409 83 I HN 0.301 nan 8.210 nan 0.000 0.494 84 V N 7.524 127.305 119.914 -0.221 0.000 2.357 84 V HA 0.401 4.524 4.120 0.004 0.000 0.284 84 V C 0.145 176.140 176.094 -0.165 0.000 1.018 84 V CA -0.769 61.365 62.300 -0.277 0.000 0.841 84 V CB 1.321 32.825 31.823 -0.532 0.000 0.991 84 V HN 0.641 nan 8.190 nan 0.000 0.437 85 R N 5.381 125.818 120.500 -0.104 0.000 2.229 85 R HA 0.554 4.896 4.340 0.004 0.000 0.332 85 R C -1.100 175.201 176.300 0.003 0.000 0.989 85 R CA -0.665 55.429 56.100 -0.010 0.000 0.842 85 R CB 1.516 31.831 30.300 0.025 0.000 1.119 85 R HN 0.472 nan 8.270 nan 0.000 0.456 86 I N 5.710 126.343 120.570 0.106 0.000 2.321 86 I HA 0.264 4.436 4.170 0.004 0.000 0.291 86 I C -1.942 174.344 176.117 0.281 0.000 0.998 86 I CA -3.093 58.316 61.300 0.183 0.000 1.227 86 I CB 1.305 39.474 38.000 0.282 0.000 1.368 86 I HN 0.270 nan 8.210 nan 0.000 0.466 87 P HA 0.420 nan 4.420 nan 0.000 0.280 87 P C -1.128 176.288 177.300 0.194 0.000 1.244 87 P CA 0.044 63.181 63.100 0.063 0.000 0.784 87 P CB 0.841 32.552 31.700 0.018 0.000 0.913 88 F N -2.380 117.498 119.950 -0.121 0.000 2.746 88 F HA 0.546 5.075 4.527 0.004 0.000 0.311 88 F C 0.320 175.914 175.800 -0.344 0.000 1.135 88 F CA -0.385 57.514 58.000 -0.168 0.000 0.954 88 F CB 0.278 39.233 39.000 -0.076 0.000 1.276 88 F HN 0.585 nan 8.300 nan 0.000 0.440 89 G N 0.768 109.272 108.800 -0.493 0.000 2.221 89 G HA2 0.404 4.367 3.960 0.004 0.000 0.265 89 G HA3 0.404 4.367 3.960 0.004 0.000 0.265 89 G C 1.068 175.453 174.900 -0.859 0.000 1.041 89 G CA 0.756 45.007 45.100 -1.415 0.000 0.807 89 G HN 3.126 nan 8.290 nan 0.000 0.502 90 G N -1.183 107.316 108.800 -0.502 0.000 2.582 90 G HA2 0.081 4.044 3.960 0.004 0.000 0.222 90 G HA3 0.081 4.044 3.960 0.004 0.000 0.222 90 G C 0.158 174.903 174.900 -0.257 0.000 1.311 90 G CA 0.572 45.485 45.100 -0.312 0.000 0.915 90 G HN 0.497 nan 8.290 nan 0.000 0.528 91 D N 0.247 120.541 120.400 -0.175 0.000 2.431 91 D HA 0.094 4.736 4.640 0.004 0.000 0.227 91 D C 1.067 177.300 176.300 -0.112 0.000 1.030 91 D CA 0.599 54.522 54.000 -0.128 0.000 0.897 91 D CB 0.303 41.063 40.800 -0.066 0.000 1.058 91 D HN 0.456 nan 8.370 nan 0.000 0.500 92 K N 0.966 121.303 120.400 -0.105 0.000 2.295 92 K HA 0.125 4.447 4.320 0.004 0.000 0.270 92 K C 0.207 176.730 176.600 -0.128 0.000 1.011 92 K CA -0.595 55.662 56.287 -0.049 0.000 0.953 92 K CB 0.936 33.428 32.500 -0.012 0.000 0.956 92 K HN -0.134 nan 8.250 nan 0.000 0.477 93 F N 2.798 122.605 119.950 -0.238 0.000 2.646 93 F HA -0.007 4.522 4.527 0.004 0.000 0.363 93 F C -0.520 175.068 175.800 -0.354 0.000 1.143 93 F CA 0.392 58.109 58.000 -0.472 0.000 1.356 93 F CB 0.285 38.687 39.000 -0.996 0.000 1.055 93 F HN 0.249 nan 8.300 nan 0.000 0.606 94 L N 7.095 127.323 121.223 -1.658 0.000 2.406 94 L HA 0.400 4.743 4.340 0.004 0.000 0.272 94 L C -2.405 173.610 176.870 -1.426 0.000 0.980 94 L CA -2.152 51.994 54.840 -1.156 0.000 0.831 94 L CB 1.956 43.606 42.059 -0.681 0.000 1.253 94 L HN 0.487 nan 8.230 nan 0.000 0.406 95 P HA 0.043 nan 4.420 nan 0.000 0.270 95 P C 0.207 177.298 177.300 -0.348 0.000 1.223 95 P CA -0.413 62.518 63.100 -0.282 0.000 0.785 95 P CB 0.592 32.308 31.700 0.027 0.000 0.923 96 K N 1.209 121.448 120.400 -0.267 0.000 2.113 96 K HA -0.232 4.090 4.320 0.004 0.000 0.208 96 K C 0.998 177.397 176.600 -0.335 0.000 1.047 96 K CA 1.822 57.895 56.287 -0.358 0.000 0.928 96 K CB -0.550 31.715 32.500 -0.392 0.000 0.716 96 K HN 0.260 nan 8.250 nan 0.000 0.446 97 E N 0.909 121.020 120.200 -0.148 0.000 2.401 97 E HA -0.103 4.250 4.350 0.004 0.000 0.199 97 E C 1.072 177.635 176.600 -0.061 0.000 1.023 97 E CA 0.827 57.214 56.400 -0.021 0.000 0.859 97 E CB 0.085 29.829 29.700 0.074 0.000 0.780 97 E HN 0.375 nan 8.360 nan 0.000 0.523 98 E N -0.464 119.638 120.200 -0.162 0.000 2.481 98 E HA 0.111 4.464 4.350 0.004 0.000 0.198 98 E C 1.418 177.948 176.600 -0.117 0.000 1.027 98 E CA 0.031 56.373 56.400 -0.096 0.000 0.900 98 E CB 0.321 29.972 29.700 -0.082 0.000 0.993 98 E HN 0.336 nan 8.360 nan 0.000 0.482 99 L N -1.198 119.839 121.223 -0.309 0.000 2.240 99 L HA 0.004 4.347 4.340 0.004 0.000 0.211 99 L C 1.938 178.688 176.870 -0.200 0.000 1.106 99 L CA 0.560 55.267 54.840 -0.223 0.000 0.793 99 L CB -0.441 41.393 42.059 -0.374 0.000 0.927 99 L HN 0.160 nan 8.230 nan 0.000 0.446 100 W N 1.530 122.808 121.300 -0.036 0.000 2.290 100 W HA -0.222 4.440 4.660 0.004 0.000 0.323 100 W C -0.133 176.318 176.519 -0.115 0.000 1.260 100 W CA 0.912 58.217 57.345 -0.067 0.000 1.266 100 W CB -1.967 27.441 29.460 -0.087 0.000 1.149 100 W HN 0.174 nan 8.180 nan 0.000 0.482 101 P HA -0.107 nan 4.420 nan 0.000 0.237 101 P C 0.253 177.400 177.300 -0.255 0.000 1.178 101 P CA 1.428 64.388 63.100 -0.233 0.000 0.766 101 P CB -0.138 31.282 31.700 -0.466 0.000 0.876 102 Y N -1.183 119.177 120.300 0.100 0.000 2.444 102 Y HA 0.248 4.801 4.550 0.004 0.000 0.249 102 Y C 2.340 178.088 175.900 -0.253 0.000 1.134 102 Y CA -0.323 57.746 58.100 -0.051 0.000 1.261 102 Y CB -0.877 37.707 38.460 0.207 0.000 1.143 102 Y HN -0.235 nan 8.280 nan 0.000 0.523 103 L N 0.078 121.267 121.223 -0.056 0.000 2.187 103 L HA -0.266 4.077 4.340 0.004 0.000 0.213 103 L C 2.422 179.222 176.870 -0.117 0.000 1.100 103 L CA 2.001 56.738 54.840 -0.171 0.000 0.765 103 L CB -0.616 41.431 42.059 -0.020 0.000 0.904 103 L HN 0.484 nan 8.230 nan 0.000 0.437 104 H N -1.551 117.522 119.070 0.005 0.000 2.423 104 H HA -0.150 4.408 4.556 0.004 0.000 0.297 104 H C 2.046 177.373 175.328 -0.003 0.000 1.075 104 H CA 1.279 57.327 56.048 -0.000 0.000 1.342 104 H CB -0.254 29.519 29.762 0.019 0.000 1.395 104 H HN 0.395 nan 8.280 nan 0.000 0.530 105 E N -0.009 119.849 120.200 -0.571 0.000 2.072 105 E HA -0.234 4.118 4.350 0.004 0.000 0.190 105 E C 1.831 178.334 176.600 -0.163 0.000 0.982 105 E CA 0.729 56.979 56.400 -0.250 0.000 0.803 105 E CB -0.287 29.297 29.700 -0.193 0.000 0.755 105 E HN 0.559 nan 8.360 nan 0.000 0.453 106 Y N 1.290 121.244 120.300 -0.577 0.000 2.114 106 Y HA -0.278 4.275 4.550 0.004 0.000 0.282 106 Y C 2.045 177.745 175.900 -0.334 0.000 1.165 106 Y CA 1.812 59.468 58.100 -0.741 0.000 1.148 106 Y CB -0.643 36.954 38.460 -1.437 0.000 0.972 106 Y HN -0.080 nan 8.280 nan 0.000 0.504 107 V N 1.222 120.956 119.914 -0.300 0.000 2.407 107 V HA -0.307 3.815 4.120 0.004 0.000 0.248 107 V C 2.217 178.234 176.094 -0.128 0.000 1.055 107 V CA 2.076 64.216 62.300 -0.268 0.000 1.049 107 V CB -0.733 31.006 31.823 -0.141 0.000 0.662 107 V HN 0.479 nan 8.190 nan 0.000 0.455 108 N N 0.458 119.122 118.700 -0.059 0.000 2.142 108 N HA -0.142 4.601 4.740 0.004 0.000 0.186 108 N C 1.827 177.341 175.510 0.005 0.000 1.023 108 N CA 1.297 54.351 53.050 0.006 0.000 0.852 108 N CB -0.256 38.257 38.487 0.044 0.000 0.998 108 N HN 0.513 nan 8.380 nan 0.000 0.424 109 K N 0.623 121.009 120.400 -0.023 0.000 2.211 109 K HA 0.037 4.359 4.320 0.004 0.000 0.203 109 K C 2.040 178.622 176.600 -0.029 0.000 1.050 109 K CA 0.535 56.822 56.287 -0.000 0.000 0.945 109 K CB 0.022 32.535 32.500 0.022 0.000 0.732 109 K HN 0.196 nan 8.250 nan 0.000 0.451 110 I N 1.554 122.050 120.570 -0.123 0.000 2.202 110 I HA -0.249 3.923 4.170 0.004 0.000 0.242 110 I C 2.393 178.539 176.117 0.049 0.000 1.091 110 I CA 1.109 62.325 61.300 -0.140 0.000 1.368 110 I CB -0.368 37.478 38.000 -0.256 0.000 1.058 110 I HN 0.169 nan 8.210 nan 0.000 0.410 111 I N -1.297 119.348 120.570 0.125 0.000 2.394 111 I HA -0.222 3.951 4.170 0.004 0.000 0.251 111 I C 1.846 178.095 176.117 0.220 0.000 1.136 111 I CA 1.781 63.266 61.300 0.308 0.000 1.425 111 I CB -0.776 37.394 38.000 0.282 0.000 1.079 111 I HN 0.228 nan 8.210 nan 0.000 0.425 112 N N 0.691 119.462 118.700 0.118 0.000 2.188 112 N HA -0.129 4.614 4.740 0.004 0.000 0.184 112 N C 1.802 177.324 175.510 0.020 0.000 1.018 112 N CA 1.210 54.307 53.050 0.077 0.000 0.858 112 N CB -0.213 38.310 38.487 0.062 0.000 0.989 112 N HN 0.345 nan 8.380 nan 0.000 0.426 113 F N 0.888 120.734 119.950 -0.174 0.000 2.075 113 F HA -0.206 4.323 4.527 0.004 0.000 0.297 113 F C 1.612 177.180 175.800 -0.386 0.000 1.113 113 F CA 1.486 59.303 58.000 -0.306 0.000 1.218 113 F CB -0.299 38.425 39.000 -0.460 0.000 0.984 113 F HN 0.020 nan 8.300 nan 0.000 0.472 114 Y N 0.082 120.259 120.300 -0.205 0.000 2.373 114 Y HA -0.048 4.504 4.550 0.004 0.000 0.293 114 Y C 2.613 178.203 175.900 -0.516 0.000 1.129 114 Y CA 1.198 58.947 58.100 -0.585 0.000 1.226 114 Y CB -0.793 36.869 38.460 -1.330 0.000 1.000 114 Y HN 0.037 nan 8.280 nan 0.000 0.549 115 R N 0.403 120.830 120.500 -0.122 0.000 2.081 115 R HA -0.158 4.184 4.340 0.004 0.000 0.235 115 R C 1.934 178.237 176.300 0.005 0.000 1.131 115 R CA 1.462 57.633 56.100 0.119 0.000 0.960 115 R CB 0.014 30.422 30.300 0.180 0.000 0.856 115 R HN 0.212 nan 8.270 nan 0.000 0.436 116 E N 0.499 120.637 120.200 -0.102 0.000 2.150 116 E HA -0.170 4.182 4.350 0.004 0.000 0.193 116 E C 1.580 178.085 176.600 -0.159 0.000 0.985 116 E CA 1.100 57.418 56.400 -0.137 0.000 0.814 116 E CB 0.066 29.640 29.700 -0.210 0.000 0.752 116 E HN 0.483 nan 8.360 nan 0.000 0.466 117 E N -0.455 119.614 120.200 -0.218 0.000 2.435 117 E HA 0.023 4.375 4.350 0.004 0.000 0.195 117 E C 0.733 177.315 176.600 -0.030 0.000 1.029 117 E CA 0.382 56.691 56.400 -0.151 0.000 0.865 117 E CB 0.143 29.744 29.700 -0.165 0.000 0.833 117 E HN 0.282 nan 8.360 nan 0.000 0.510 118 G N 2.794 111.599 108.800 0.009 0.000 2.295 118 G HA2 -0.321 3.642 3.960 0.004 0.000 0.287 118 G HA3 -0.321 3.642 3.960 0.004 0.000 0.287 118 G C -0.143 174.826 174.900 0.115 0.000 1.055 118 G CA 1.124 46.269 45.100 0.076 0.000 0.922 118 G HN 0.326 nan 8.290 nan 0.000 0.503 119 K N -1.626 118.857 120.400 0.138 0.000 2.579 119 K HA 0.603 4.926 4.320 0.004 0.000 0.257 119 K C -1.427 175.229 176.600 0.093 0.000 0.950 119 K CA -1.222 55.170 56.287 0.174 0.000 0.862 119 K CB 0.804 33.400 32.500 0.160 0.000 1.317 119 K HN 0.017 nan 8.250 nan 0.000 0.436 120 F N 2.313 122.241 119.950 -0.036 0.000 2.480 120 F HA 0.476 5.006 4.527 0.004 0.000 0.329 120 F C -2.005 173.540 175.800 -0.425 0.000 1.091 120 F CA -2.179 55.632 58.000 -0.315 0.000 0.972 120 F CB 1.739 40.625 39.000 -0.190 0.000 1.150 120 F HN 0.418 nan 8.300 nan 0.000 0.467 121 P HA 0.076 nan 4.420 nan 0.000 0.267 121 P C -0.082 177.081 177.300 -0.228 0.000 1.200 121 P CA 0.115 62.790 63.100 -0.708 0.000 0.772 121 P CB 0.599 31.838 31.700 -0.770 0.000 0.855 122 Q N 0.575 120.310 119.800 -0.109 0.000 2.123 122 Q HA 0.022 4.365 4.340 0.004 0.000 0.199 122 Q C 0.678 176.671 176.000 -0.012 0.000 0.966 122 Q CA 0.906 56.698 55.803 -0.018 0.000 0.845 122 Q CB -0.009 28.747 28.738 0.029 0.000 0.907 122 Q HN 0.452 nan 8.270 nan 0.000 0.439 123 V N -3.814 116.093 119.914 -0.011 0.000 3.049 123 V HA 0.669 4.792 4.120 0.004 0.000 0.309 123 V C -0.773 175.341 176.094 0.033 0.000 1.148 123 V CA -1.081 61.234 62.300 0.025 0.000 0.990 123 V CB 2.277 34.129 31.823 0.048 0.000 1.039 123 V HN -0.203 nan 8.190 nan 0.000 0.430 124 V N 2.589 122.546 119.914 0.071 0.000 2.715 124 V HA 0.845 4.967 4.120 0.004 0.000 0.310 124 V C 0.328 176.471 176.094 0.081 0.000 1.054 124 V CA 0.265 62.610 62.300 0.076 0.000 0.928 124 V CB 2.142 34.014 31.823 0.081 0.000 1.007 124 V HN 1.292 nan 8.190 nan 0.000 0.437 125 T N -0.181 114.351 114.554 -0.037 0.000 2.863 125 T HA 0.769 5.121 4.350 0.004 0.000 0.285 125 T C -0.397 174.255 174.700 -0.081 0.000 1.009 125 T CA -0.493 61.530 62.100 -0.129 0.000 0.989 125 T CB 1.773 70.356 68.868 -0.475 0.000 1.004 125 T HN 0.887 nan 8.240 nan 0.000 0.455 126 T N 0.137 114.643 114.554 -0.080 0.000 2.887 126 T HA 0.673 5.025 4.350 0.004 0.000 0.288 126 T C -1.236 173.308 174.700 -0.260 0.000 1.021 126 T CA -0.821 61.297 62.100 0.031 0.000 1.000 126 T CB 1.110 70.088 68.868 0.183 0.000 1.034 126 T HN 0.819 nan 8.240 nan 0.000 0.467 127 H N 0.733 119.993 119.070 0.317 0.000 2.744 127 H HA 0.616 5.175 4.556 0.004 0.000 0.339 127 H C -0.925 174.687 175.328 0.474 0.000 1.004 127 H CA -0.349 55.919 56.048 0.367 0.000 1.257 127 H CB 0.814 30.784 29.762 0.346 0.000 1.552 127 H HN 0.900 nan 8.280 nan 0.000 0.522 128 Y N 0.118 120.653 120.300 0.392 0.000 2.512 128 Y HA -0.292 4.260 4.550 0.004 0.000 0.020 128 Y C 1.444 177.681 175.900 0.560 0.000 1.708 128 Y CA 0.749 59.084 58.100 0.392 0.000 1.416 128 Y CB -0.217 38.376 38.460 0.222 0.000 2.061 128 Y HN 0.887 nan 8.280 nan 0.000 0.255 129 G N 1.452 110.449 108.800 0.329 0.000 2.462 129 G HA2 -0.265 3.697 3.960 0.004 0.000 0.220 129 G HA3 -0.265 3.697 3.960 0.004 0.000 0.220 129 G C 0.898 176.091 174.900 0.489 0.000 1.121 129 G CA 1.245 46.561 45.100 0.359 0.000 0.758 129 G HN 0.834 nan 8.290 nan 0.000 0.559 130 D N 0.482 121.149 120.400 0.444 0.000 2.137 130 D HA 0.027 4.669 4.640 0.004 0.000 0.202 130 D C 2.419 178.784 176.300 0.107 0.000 0.970 130 D CA 1.057 55.078 54.000 0.035 0.000 0.837 130 D CB -1.185 39.393 40.800 -0.370 0.000 0.981 130 D HN 0.212 nan 8.370 nan 0.000 0.475 131 G N 0.208 109.125 108.800 0.196 0.000 2.422 131 G HA2 -0.084 3.878 3.960 0.004 0.000 0.218 131 G HA3 -0.084 3.878 3.960 0.004 0.000 0.218 131 G C 1.682 176.663 174.900 0.136 0.000 1.140 131 G CA 0.750 45.971 45.100 0.202 0.000 0.775 131 G HN 0.463 nan 8.290 nan 0.000 0.545 132 G N 0.975 109.882 108.800 0.177 0.000 2.421 132 G HA2 -0.140 3.823 3.960 0.004 0.000 0.216 132 G HA3 -0.140 3.823 3.960 0.004 0.000 0.216 132 G C 1.725 176.526 174.900 -0.165 0.000 1.171 132 G CA 1.013 46.092 45.100 -0.035 0.000 0.775 132 G HN 0.412 nan 8.290 nan 0.000 0.543 133 L N 1.449 122.669 121.223 -0.004 0.000 2.083 133 L HA 0.144 4.487 4.340 0.004 0.000 0.209 133 L C 2.995 179.822 176.870 -0.071 0.000 1.083 133 L CA 2.116 56.961 54.840 0.008 0.000 0.752 133 L CB -0.716 41.466 42.059 0.205 0.000 0.899 133 L HN 0.230 nan 8.230 nan 0.000 0.433 134 A N -0.390 122.412 122.820 -0.029 0.000 1.902 134 A HA -0.082 4.241 4.320 0.004 0.000 0.217 134 A C 2.361 179.810 177.584 -0.226 0.000 1.181 134 A CA 1.564 53.576 52.037 -0.042 0.000 0.623 134 A CB -1.631 17.470 19.000 0.167 0.000 0.818 134 A HN 0.530 nan 8.150 nan 0.000 0.443 135 G N -0.682 107.877 108.800 -0.401 0.000 2.432 135 G HA2 -0.096 3.867 3.960 0.004 0.000 0.219 135 G HA3 -0.096 3.867 3.960 0.004 0.000 0.219 135 G C 1.487 175.835 174.900 -0.921 0.000 1.135 135 G CA 1.224 45.834 45.100 -0.817 0.000 0.767 135 G HN 0.321 nan 8.290 nan 0.000 0.550 136 V N 0.958 120.460 119.914 -0.686 0.000 2.270 136 V HA -0.126 3.996 4.120 0.004 0.000 0.245 136 V C 2.924 178.810 176.094 -0.346 0.000 1.043 136 V CA 1.528 63.578 62.300 -0.417 0.000 1.014 136 V CB -0.489 31.190 31.823 -0.240 0.000 0.645 136 V HN 0.353 nan 8.190 nan 0.000 0.447 137 L N -0.757 120.320 121.223 -0.243 0.000 2.012 137 L HA -0.213 4.130 4.340 0.004 0.000 0.210 137 L C 2.490 179.271 176.870 -0.150 0.000 1.073 137 L CA 1.398 56.141 54.840 -0.162 0.000 0.748 137 L CB -0.721 41.286 42.059 -0.087 0.000 0.891 137 L HN 0.331 nan 8.230 nan 0.000 0.431 138 L N 0.271 121.397 121.223 -0.161 0.000 2.131 138 L HA -0.215 4.127 4.340 0.004 0.000 0.210 138 L C 2.520 179.337 176.870 -0.088 0.000 1.092 138 L CA 1.782 56.556 54.840 -0.110 0.000 0.759 138 L CB -0.579 41.411 42.059 -0.115 0.000 0.903 138 L HN 0.159 nan 8.230 nan 0.000 0.435 139 K N -0.942 119.396 120.400 -0.103 0.000 2.167 139 K HA -0.181 4.141 4.320 0.004 0.000 0.203 139 K C 1.981 178.535 176.600 -0.076 0.000 1.052 139 K CA 1.162 57.437 56.287 -0.021 0.000 0.956 139 K CB -0.119 32.463 32.500 0.137 0.000 0.735 139 K HN 0.342 nan 8.250 nan 0.000 0.451 140 N N 0.660 119.265 118.700 -0.158 0.000 2.309 140 N HA -0.087 4.656 4.740 0.004 0.000 0.182 140 N C 1.366 176.826 175.510 -0.084 0.000 1.018 140 N CA 1.215 54.176 53.050 -0.148 0.000 0.876 140 N CB 0.116 38.479 38.487 -0.207 0.000 0.972 140 N HN 0.277 nan 8.380 nan 0.000 0.434 141 I N -1.023 119.499 120.570 -0.080 0.000 2.810 141 I HA 0.041 4.213 4.170 0.004 0.000 0.262 141 I C 1.468 177.536 176.117 -0.083 0.000 1.131 141 I CA 0.463 61.725 61.300 -0.063 0.000 1.453 141 I CB 0.127 38.099 38.000 -0.045 0.000 1.161 141 I HN -0.060 nan 8.210 nan 0.000 0.444 142 K N 0.679 121.020 120.400 -0.099 0.000 2.358 142 K HA 0.295 4.618 4.320 0.004 0.000 0.200 142 K C 1.048 177.569 176.600 -0.132 0.000 1.030 142 K CA 0.634 56.821 56.287 -0.166 0.000 1.097 142 K CB 0.863 33.216 32.500 -0.245 0.000 0.862 142 K HN 0.321 nan 8.250 nan 0.000 0.534 143 G N 2.144 110.902 108.800 -0.071 0.000 2.168 143 G HA2 -0.263 3.699 3.960 0.004 0.000 0.257 143 G HA3 -0.263 3.699 3.960 0.004 0.000 0.257 143 G C 0.029 174.918 174.900 -0.018 0.000 0.997 143 G CA 0.110 45.188 45.100 -0.037 0.000 0.708 143 G HN 0.225 nan 8.290 nan 0.000 0.520 144 L N 2.118 123.336 121.223 -0.007 0.000 2.313 144 L HA 0.336 4.678 4.340 0.004 0.000 0.282 144 L C -1.244 175.688 176.870 0.104 0.000 1.092 144 L CA -1.876 52.980 54.840 0.025 0.000 0.831 144 L CB 0.841 42.913 42.059 0.021 0.000 1.159 144 L HN 0.018 nan 8.230 nan 0.000 0.442 145 P HA 0.214 nan 4.420 nan 0.000 0.274 145 P C -1.115 176.274 177.300 0.148 0.000 1.231 145 P CA -0.069 63.069 63.100 0.063 0.000 0.790 145 P CB 0.905 32.595 31.700 -0.017 0.000 0.951 146 F N -1.424 118.513 119.950 -0.022 0.000 2.643 146 F HA 0.749 5.278 4.527 0.004 0.000 0.314 146 F C -0.600 175.183 175.800 -0.029 0.000 1.096 146 F CA -0.998 56.988 58.000 -0.023 0.000 0.953 146 F CB 1.228 40.220 39.000 -0.013 0.000 1.345 146 F HN 0.362 nan 8.300 nan 0.000 0.468 147 T N -0.652 113.977 114.554 0.124 0.000 2.940 147 T HA 0.719 5.071 4.350 0.004 0.000 0.288 147 T C -1.539 173.299 174.700 0.231 0.000 1.033 147 T CA -0.542 61.560 62.100 0.004 0.000 1.033 147 T CB 2.025 70.854 68.868 -0.066 0.000 1.079 147 T HN 0.796 nan 8.240 nan 0.000 0.496 148 F N 1.019 120.938 119.950 -0.052 0.000 2.529 148 F HA 0.635 5.164 4.527 0.004 0.000 0.320 148 F C -0.929 174.814 175.800 -0.095 0.000 1.118 148 F CA -0.699 57.295 58.000 -0.010 0.000 0.915 148 F CB 2.109 41.156 39.000 0.079 0.000 1.161 148 F HN 0.737 nan 8.300 nan 0.000 0.445 149 T N 5.192 119.256 114.554 -0.817 0.000 2.815 149 T HA 0.377 4.730 4.350 0.004 0.000 0.289 149 T C 0.925 174.962 174.700 -1.105 0.000 1.000 149 T CA -0.162 61.474 62.100 -0.774 0.000 0.958 149 T CB 1.462 70.097 68.868 -0.389 0.000 0.944 149 T HN 0.833 nan 8.240 nan 0.000 0.442 150 G N 1.306 109.491 108.800 -1.025 0.000 2.421 150 G HA2 -0.145 3.817 3.960 0.004 0.000 0.216 150 G HA3 -0.145 3.817 3.960 0.004 0.000 0.216 150 G C 0.989 175.766 174.900 -0.205 0.000 1.171 150 G CA 0.994 45.697 45.100 -0.662 0.000 0.775 150 G HN 0.941 nan 8.290 nan 0.000 0.543 151 H N -0.823 118.174 119.070 -0.120 0.000 4.912 151 H HA -0.205 4.353 4.556 0.004 0.000 0.078 151 H C 0.688 176.040 175.328 0.040 0.000 0.572 151 H CA 1.816 57.854 56.048 -0.016 0.000 1.083 151 H CB -1.668 28.133 29.762 0.065 0.000 0.482 151 H HN 0.676 nan 8.280 nan 0.000 0.736 152 S N 0.342 116.118 115.700 0.126 0.000 2.605 152 S HA 0.551 5.024 4.470 0.004 0.000 0.279 152 S C -0.977 173.578 174.600 -0.076 0.000 1.166 152 S CA -0.742 57.503 58.200 0.074 0.000 0.975 152 S CB 0.869 64.199 63.200 0.216 0.000 1.111 152 S HN 0.297 nan 8.310 nan 0.000 0.465 153 L N 4.271 125.449 121.223 -0.074 0.000 2.322 153 L HA 0.538 4.880 4.340 0.004 0.000 0.279 153 L C 1.890 178.770 176.870 0.015 0.000 1.036 153 L CA -0.596 54.191 54.840 -0.087 0.000 0.807 153 L CB 1.178 43.138 42.059 -0.166 0.000 1.226 153 L HN 0.917 nan 8.230 nan 0.000 0.433 154 G N 1.344 110.190 108.800 0.077 0.000 2.476 154 G HA2 -0.310 3.653 3.960 0.004 0.000 0.218 154 G HA3 -0.310 3.653 3.960 0.004 0.000 0.218 154 G C 1.563 176.432 174.900 -0.052 0.000 1.164 154 G CA 1.076 46.256 45.100 0.134 0.000 0.768 154 G HN 0.818 nan 8.290 nan 0.000 0.560 155 A N 0.374 123.094 122.820 -0.167 0.000 1.884 155 A HA -0.224 4.099 4.320 0.004 0.000 0.219 155 A C 2.391 179.777 177.584 -0.329 0.000 1.197 155 A CA 2.473 54.187 52.037 -0.539 0.000 0.637 155 A CB -0.633 17.711 19.000 -1.094 0.000 0.827 155 A HN 0.373 nan 8.150 nan 0.000 0.450 156 Q N -0.569 119.151 119.800 -0.134 0.000 2.181 156 Q HA -0.148 4.195 4.340 0.004 0.000 0.205 156 Q C 2.064 178.027 176.000 -0.061 0.000 0.980 156 Q CA 1.996 57.774 55.803 -0.042 0.000 0.862 156 Q CB -0.276 28.468 28.738 0.010 0.000 0.905 156 Q HN 0.777 nan 8.270 nan 0.000 0.429 157 K N -0.109 120.251 120.400 -0.068 0.000 2.025 157 K HA -0.057 4.265 4.320 0.004 0.000 0.207 157 K C 1.917 178.399 176.600 -0.198 0.000 1.049 157 K CA 1.146 57.400 56.287 -0.056 0.000 0.933 157 K CB -0.049 32.505 32.500 0.090 0.000 0.714 157 K HN 0.177 nan 8.250 nan 0.000 0.438 158 M N 0.893 120.222 119.600 -0.451 0.000 2.202 158 M HA -0.181 4.301 4.480 0.004 0.000 0.262 158 M C 1.762 177.897 176.300 -0.275 0.000 1.063 158 M CA 1.247 56.169 55.300 -0.629 0.000 1.097 158 M CB -0.113 32.031 32.600 -0.760 0.000 1.382 158 M HN 0.134 nan 8.290 nan 0.000 0.413 159 E N 0.580 120.681 120.200 -0.165 0.000 1.998 159 E HA -0.057 4.295 4.350 0.004 0.000 0.196 159 E C 0.722 177.296 176.600 -0.043 0.000 1.003 159 E CA 1.009 57.372 56.400 -0.062 0.000 0.829 159 E CB -0.365 29.332 29.700 -0.005 0.000 0.777 159 E HN 0.141 nan 8.360 nan 0.000 0.460 160 K N 0.741 121.124 120.400 -0.029 0.000 2.382 160 K HA 0.176 4.499 4.320 0.004 0.000 0.286 160 K C 0.412 177.007 176.600 -0.008 0.000 1.062 160 K CA 0.617 56.900 56.287 -0.007 0.000 1.000 160 K CB -0.377 32.127 32.500 0.007 0.000 0.954 160 K HN 0.332 nan 8.250 nan 0.000 0.470 161 L N -0.789 120.439 121.223 0.009 0.000 3.859 161 L HA -0.231 4.112 4.340 0.004 0.000 0.401 161 L C 0.530 177.409 176.870 0.015 0.000 1.186 161 L CA 0.883 55.743 54.840 0.034 0.000 0.874 161 L CB -3.079 nan 42.059 nan 0.000 2.070 161 L HN 0.834 nan 8.230 nan 0.000 0.647 162 N N -1.304 117.389 118.700 -0.011 0.000 2.181 162 N HA 0.618 5.361 4.740 0.004 0.000 0.251 162 N C 0.938 176.441 175.510 -0.013 0.000 1.234 162 N CA 1.033 54.063 53.050 -0.034 0.000 0.835 162 N CB 0.530 nan 38.487 nan 0.000 1.082 162 N HN 2.394 nan 8.380 nan 0.000 0.460 163 V N -0.111 119.780 119.914 -0.040 0.000 2.174 163 V HA 0.556 4.678 4.120 0.004 0.000 0.259 163 V C 1.149 177.243 176.094 -0.001 0.000 1.261 163 V CA 0.043 62.343 62.300 -0.000 0.000 1.137 163 V CB -0.889 nan 31.823 nan 0.000 1.290 163 V HN 1.219 nan 8.190 nan 0.000 0.486 164 N N 2.271 120.976 118.700 0.008 0.000 3.210 164 N HA 0.312 5.055 4.740 0.004 0.000 0.314 164 N C 1.240 176.756 175.510 0.011 0.000 1.291 164 N CA 0.633 53.686 53.050 0.005 0.000 1.202 164 N CB -0.650 37.841 38.487 0.007 0.000 1.475 164 N HN 0.977 nan 8.380 nan 0.000 0.554 165 T N -1.737 112.824 114.554 0.012 0.000 10.479 165 T HA -0.317 4.035 4.350 0.004 0.000 0.411 165 T C 1.926 176.639 174.700 0.023 0.000 1.504 165 T CA 2.227 64.336 62.100 0.015 0.000 2.475 165 T CB -1.701 67.171 68.868 0.007 0.000 2.895 165 T HN 0.684 nan 8.240 nan 0.000 1.096 166 S N 1.213 116.928 115.700 0.025 0.000 2.336 166 S HA 0.074 4.546 4.470 0.004 0.000 0.214 166 S C 1.686 176.312 174.600 0.043 0.000 1.032 166 S CA 1.350 59.568 58.200 0.030 0.000 1.001 166 S CB -0.575 62.642 63.200 0.029 0.000 0.953 166 S HN 1.035 nan 8.310 nan 0.000 0.430 167 N N 0.229 118.962 118.700 0.055 0.000 3.124 167 N HA 0.515 5.257 4.740 0.004 0.000 0.284 167 N C 0.084 175.652 175.510 0.096 0.000 1.209 167 N CA 0.357 53.457 53.050 0.083 0.000 1.149 167 N CB -1.309 37.239 38.487 0.101 0.000 1.434 167 N HN 0.416 nan 8.380 nan 0.000 0.529 168 F N -0.689 119.309 119.950 0.080 0.000 2.536 168 F HA 0.476 5.005 4.527 0.004 0.000 0.278 168 F C 2.485 178.344 175.800 0.099 0.000 0.945 168 F CA 1.078 59.128 58.000 0.083 0.000 1.244 168 F CB -0.793 nan 39.000 nan 0.000 1.118 168 F HN 0.743 nan 8.300 nan 0.000 0.725 169 K N 0.960 121.400 120.400 0.066 0.000 2.167 169 K HA 0.165 4.487 4.320 0.004 0.000 0.203 169 K C 1.934 178.573 176.600 0.065 0.000 1.052 169 K CA 1.892 58.212 56.287 0.056 0.000 0.956 169 K CB -1.771 nan 32.500 nan 0.000 0.735 169 K HN 0.889 nan 8.250 nan 0.000 0.451 170 E N 0.627 120.866 120.200 0.065 0.000 2.150 170 E HA -0.028 4.324 4.350 0.004 0.000 0.193 170 E C 2.124 178.763 176.600 0.064 0.000 0.985 170 E CA 1.462 57.891 56.400 0.049 0.000 0.814 170 E CB -0.458 29.271 29.700 0.048 0.000 0.752 170 E HN 0.534 nan 8.360 nan 0.000 0.466 171 M N 0.553 120.251 119.600 0.164 0.000 2.160 171 M HA 0.004 4.486 4.480 0.004 0.000 0.264 171 M C 2.014 178.495 176.300 0.301 0.000 1.073 171 M CA 1.709 57.204 55.300 0.326 0.000 1.142 171 M CB -0.736 32.166 32.600 0.503 0.000 1.358 171 M HN 0.351 nan 8.290 nan 0.000 0.422 172 D N 0.836 121.407 120.400 0.285 0.000 2.218 172 D HA -0.130 4.512 4.640 0.004 0.000 0.204 172 D C 1.977 178.351 176.300 0.123 0.000 0.976 172 D CA 1.817 55.970 54.000 0.255 0.000 0.853 172 D CB 0.317 41.261 40.800 0.241 0.000 0.939 172 D HN 0.458 nan 8.370 nan 0.000 0.481 173 E N -0.278 119.960 120.200 0.062 0.000 2.076 173 E HA -0.018 4.334 4.350 0.004 0.000 0.190 173 E C 2.267 178.814 176.600 -0.088 0.000 0.979 173 E CA 1.591 57.994 56.400 0.005 0.000 0.807 173 E CB -1.071 nan 29.700 nan 0.000 0.761 173 E HN 0.424 nan 8.360 nan 0.000 0.454 174 R N -0.784 119.588 120.500 -0.214 0.000 2.210 174 R HA 0.379 4.721 4.340 0.004 0.000 0.203 174 R C 1.659 177.530 176.300 -0.715 0.000 1.010 174 R CA 1.177 56.981 56.100 -0.493 0.000 1.008 174 R CB -0.488 29.387 30.300 -0.709 0.000 0.923 174 R HN 0.498 nan 8.270 nan 0.000 0.469 175 F N -0.855 118.969 119.950 -0.209 0.000 2.746 175 F HA 0.341 4.870 4.527 0.004 0.000 0.320 175 F C 0.163 175.709 175.800 -0.424 0.000 1.097 175 F CA -0.991 56.728 58.000 -0.469 0.000 1.195 175 F CB 0.879 39.194 39.000 -1.143 0.000 1.056 175 F HN -0.051 nan 8.300 nan 0.000 0.562 176 K N -0.223 120.137 120.400 -0.066 0.000 3.077 176 K HA -0.234 4.088 4.320 0.004 0.000 0.264 176 K C 0.596 177.156 176.600 -0.067 0.000 1.008 176 K CA 0.203 56.486 56.287 -0.006 0.000 0.740 176 K CB -2.581 29.998 32.500 0.132 0.000 1.273 176 K HN 0.192 nan 8.250 nan 0.000 0.477 177 F N 0.193 120.224 119.950 0.135 0.000 2.126 177 F HA -0.225 4.304 4.527 0.004 0.000 0.299 177 F C 2.718 178.491 175.800 -0.045 0.000 1.096 177 F CA 2.100 60.134 58.000 0.057 0.000 1.255 177 F CB -0.486 38.568 39.000 0.090 0.000 0.997 177 F HN 0.580 nan 8.300 nan 0.000 0.479 178 H N 0.243 119.371 119.070 0.098 0.000 2.491 178 H HA 0.006 4.564 4.556 0.004 0.000 0.290 178 H C 1.979 177.219 175.328 -0.148 0.000 1.050 178 H CA 1.296 57.334 56.048 -0.016 0.000 1.309 178 H CB -0.316 29.443 29.762 -0.006 0.000 1.392 178 H HN 0.265 nan 8.280 nan 0.000 0.554 179 R N 0.398 120.409 120.500 -0.814 0.000 2.066 179 R HA 0.053 4.396 4.340 0.004 0.000 0.224 179 R C 2.787 178.448 176.300 -1.064 0.000 1.122 179 R CA 0.700 56.214 56.100 -0.976 0.000 0.974 179 R CB -0.057 29.571 30.300 -1.121 0.000 0.871 179 R HN 0.229 nan 8.270 nan 0.000 0.435 180 R N 1.090 121.008 120.500 -0.970 0.000 2.080 180 R HA -0.149 4.193 4.340 0.004 0.000 0.236 180 R C 2.076 178.202 176.300 -0.291 0.000 1.137 180 R CA 1.590 57.288 56.100 -0.670 0.000 0.943 180 R CB -0.191 30.113 30.300 0.005 0.000 0.846 180 R HN 0.089 nan 8.270 nan 0.000 0.431 181 I N 1.426 121.923 120.570 -0.121 0.000 2.163 181 I HA -0.284 3.888 4.170 0.004 0.000 0.243 181 I C 2.358 178.459 176.117 -0.027 0.000 1.085 181 I CA 1.301 62.597 61.300 -0.006 0.000 1.347 181 I CB -1.042 36.942 38.000 -0.027 0.000 1.044 181 I HN 0.257 nan 8.210 nan 0.000 0.408 182 I N 1.048 121.547 120.570 -0.118 0.000 2.394 182 I HA -0.171 4.001 4.170 0.004 0.000 0.251 182 I C 2.763 178.818 176.117 -0.103 0.000 1.136 182 I CA 1.248 62.497 61.300 -0.086 0.000 1.425 182 I CB -1.679 36.262 38.000 -0.098 0.000 1.079 182 I HN 0.106 nan 8.210 nan 0.000 0.425 183 A N 0.908 123.597 122.820 -0.219 0.000 1.873 183 A HA -0.177 4.146 4.320 0.004 0.000 0.215 183 A C 2.254 179.785 177.584 -0.089 0.000 1.186 183 A CA 1.301 53.245 52.037 -0.154 0.000 0.616 183 A CB -0.586 18.252 19.000 -0.270 0.000 0.823 183 A HN 0.434 nan 8.150 nan 0.000 0.442 184 E N -0.404 119.743 120.200 -0.088 0.000 2.153 184 E HA -0.194 4.158 4.350 0.004 0.000 0.194 184 E C 2.291 178.808 176.600 -0.137 0.000 0.988 184 E CA 1.130 57.441 56.400 -0.147 0.000 0.811 184 E CB -0.152 29.508 29.700 -0.068 0.000 0.746 184 E HN 0.541 nan 8.360 nan 0.000 0.466 185 R N 0.385 120.890 120.500 0.008 0.000 2.066 185 R HA -0.074 4.268 4.340 0.004 0.000 0.232 185 R C 2.469 178.779 176.300 0.017 0.000 1.131 185 R CA 0.936 57.072 56.100 0.060 0.000 0.955 185 R CB -0.319 30.044 30.300 0.106 0.000 0.851 185 R HN 0.153 nan 8.270 nan 0.000 0.432 186 L N 0.085 121.327 121.223 0.031 0.000 2.046 186 L HA -0.193 4.150 4.340 0.004 0.000 0.208 186 L C 2.349 179.318 176.870 0.165 0.000 1.077 186 L CA 1.429 56.346 54.840 0.127 0.000 0.747 186 L CB -0.617 41.529 42.059 0.145 0.000 0.896 186 L HN 0.281 nan 8.230 nan 0.000 0.432 187 T N -0.251 114.301 114.554 -0.002 0.000 2.622 187 T HA -0.269 4.084 4.350 0.004 0.000 0.266 187 T C 1.895 176.563 174.700 -0.053 0.000 1.047 187 T CA 1.741 63.796 62.100 -0.075 0.000 1.159 187 T CB -0.250 68.269 68.868 -0.581 0.000 0.863 187 T HN 0.218 nan 8.240 nan 0.000 0.422 188 M N 1.042 120.543 119.600 -0.165 0.000 2.108 188 M HA -0.133 4.349 4.480 0.004 0.000 0.261 188 M C 2.710 178.958 176.300 -0.087 0.000 1.066 188 M CA 1.437 56.684 55.300 -0.088 0.000 1.107 188 M CB -0.504 32.083 32.600 -0.022 0.000 1.356 188 M HN 0.229 nan 8.290 nan 0.000 0.406 189 S N -0.514 115.148 115.700 -0.063 0.000 2.359 189 S HA -0.172 4.300 4.470 0.004 0.000 0.224 189 S C 1.734 176.202 174.600 -0.221 0.000 1.035 189 S CA 1.450 59.559 58.200 -0.151 0.000 1.018 189 S CB -0.236 62.847 63.200 -0.195 0.000 0.876 189 S HN 0.488 nan 8.310 nan 0.000 0.448 190 Y N 1.480 121.764 120.300 -0.027 0.000 2.448 190 Y HA 0.487 5.040 4.550 0.004 0.000 0.289 190 Y C 1.423 177.121 175.900 -0.337 0.000 1.114 190 Y CA -0.009 58.073 58.100 -0.030 0.000 1.235 190 Y CB -0.594 37.986 38.460 0.200 0.000 1.045 190 Y HN 0.302 nan 8.280 nan 0.000 0.554 191 A N 0.787 123.417 122.820 -0.317 0.000 2.567 191 A HA -0.091 4.231 4.320 0.004 0.000 0.240 191 A C 0.652 177.867 177.584 -0.614 0.000 1.053 191 A CA 0.433 51.946 52.037 -0.873 0.000 0.755 191 A CB -0.185 18.610 19.000 -0.342 0.000 0.978 191 A HN 0.508 nan 8.150 nan 0.000 0.507 192 D N 0.534 120.527 120.400 -0.677 0.000 2.277 192 D HA 0.046 4.688 4.640 0.004 0.000 0.208 192 D C 0.257 176.366 176.300 -0.318 0.000 0.962 192 D CA 1.305 55.075 54.000 -0.383 0.000 0.865 192 D CB 0.219 40.837 40.800 -0.303 0.000 0.939 192 D HN 0.349 nan 8.370 nan 0.000 0.510 193 K N 0.222 120.412 120.400 -0.350 0.000 2.557 193 K HA 0.326 4.649 4.320 0.004 0.000 0.257 193 K C -1.665 174.740 176.600 -0.325 0.000 0.933 193 K CA -0.833 55.264 56.287 -0.317 0.000 0.820 193 K CB 2.632 34.989 32.500 -0.237 0.000 1.330 193 K HN -0.093 nan 8.250 nan 0.000 0.432 194 I N 3.489 123.783 120.570 -0.461 0.000 2.362 194 I HA 0.435 4.608 4.170 0.004 0.000 0.289 194 I C -0.859 175.046 176.117 -0.352 0.000 0.994 194 I CA -0.680 60.351 61.300 -0.447 0.000 1.158 194 I CB 0.662 38.169 38.000 -0.821 0.000 1.315 194 I HN 0.532 nan 8.210 nan 0.000 0.451 195 I N 8.213 128.628 120.570 -0.258 0.000 2.331 195 I HA 0.453 4.625 4.170 0.004 0.000 0.292 195 I C -0.320 175.726 176.117 -0.119 0.000 0.998 195 I CA -0.748 60.435 61.300 -0.194 0.000 1.267 195 I CB 1.404 39.243 38.000 -0.268 0.000 1.386 195 I HN 0.498 nan 8.210 nan 0.000 0.476 196 V N 1.810 121.702 119.914 -0.037 0.000 2.960 196 V HA 0.481 4.604 4.120 0.004 0.000 0.315 196 V C 0.378 176.506 176.094 0.057 0.000 1.087 196 V CA -0.498 61.813 62.300 0.018 0.000 0.982 196 V CB 1.683 33.522 31.823 0.026 0.000 1.039 196 V HN 0.707 nan 8.190 nan 0.000 0.437 197 S N 1.030 116.786 115.700 0.093 0.000 2.446 197 S HA 0.126 4.598 4.470 0.004 0.000 0.225 197 S C 0.816 175.478 174.600 0.103 0.000 1.016 197 S CA 1.038 59.321 58.200 0.137 0.000 0.943 197 S CB -0.161 63.146 63.200 0.177 0.000 0.786 197 S HN 1.231 nan 8.310 nan 0.000 0.508 198 T N -1.575 113.024 114.554 0.074 0.000 2.843 198 T HA 0.400 4.752 4.350 0.004 0.000 0.302 198 T C 0.894 175.606 174.700 0.021 0.000 1.232 198 T CA -0.121 62.010 62.100 0.051 0.000 1.009 198 T CB 1.535 70.449 68.868 0.076 0.000 1.254 198 T HN -0.040 nan 8.240 nan 0.000 0.504 199 S N 0.487 116.205 115.700 0.029 0.000 2.423 199 S HA -0.162 4.311 4.470 0.004 0.000 0.231 199 S C 1.732 176.393 174.600 0.101 0.000 1.014 199 S CA 0.827 59.053 58.200 0.045 0.000 0.965 199 S CB -0.740 62.554 63.200 0.157 0.000 0.785 199 S HN 0.745 nan 8.310 nan 0.000 0.495 200 Q N 0.844 120.711 119.800 0.112 0.000 2.167 200 Q HA -0.105 4.238 4.340 0.004 0.000 0.202 200 Q C 2.276 178.337 176.000 0.100 0.000 0.970 200 Q CA 1.385 57.267 55.803 0.131 0.000 0.855 200 Q CB -0.192 28.612 28.738 0.110 0.000 0.911 200 Q HN 0.785 nan 8.270 nan 0.000 0.438 201 E N 1.114 121.359 120.200 0.075 0.000 2.051 201 E HA -0.229 4.123 4.350 0.004 0.000 0.192 201 E C 2.114 178.782 176.600 0.113 0.000 0.991 201 E CA 0.814 57.279 56.400 0.108 0.000 0.799 201 E CB 0.055 29.828 29.700 0.121 0.000 0.748 201 E HN 0.167 nan 8.360 nan 0.000 0.449 202 R N -0.497 119.931 120.500 -0.119 0.000 2.070 202 R HA -0.148 4.194 4.340 0.004 0.000 0.233 202 R C 2.066 178.055 176.300 -0.518 0.000 1.137 202 R CA 1.816 57.595 56.100 -0.535 0.000 0.945 202 R CB -0.329 29.278 30.300 -1.154 0.000 0.845 202 R HN 0.173 nan 8.270 nan 0.000 0.430 203 F N -0.600 119.278 119.950 -0.120 0.000 2.416 203 F HA 0.203 4.732 4.527 0.004 0.000 0.296 203 F C 2.236 178.042 175.800 0.009 0.000 1.099 203 F CA 1.127 59.085 58.000 -0.071 0.000 1.427 203 F CB -0.175 38.778 39.000 -0.079 0.000 1.079 203 F HN 0.236 nan 8.300 nan 0.000 0.536 204 G N -1.593 107.311 108.800 0.174 0.000 2.762 204 G HA2 0.028 3.991 3.960 0.004 0.000 0.209 204 G HA3 0.028 3.991 3.960 0.004 0.000 0.209 204 G C 1.421 176.403 174.900 0.137 0.000 1.134 204 G CA 0.086 45.271 45.100 0.143 0.000 0.781 204 G HN 0.284 nan 8.290 nan 0.000 0.528 205 Q N -1.043 118.845 119.800 0.147 0.000 2.462 205 Q HA 0.170 4.512 4.340 0.004 0.000 0.224 205 Q C 1.553 177.631 176.000 0.130 0.000 0.911 205 Q CA 0.114 55.987 55.803 0.116 0.000 0.925 205 Q CB 0.241 29.000 28.738 0.035 0.000 1.063 205 Q HN 0.496 nan 8.270 nan 0.000 0.572 206 Y N 0.772 121.145 120.300 0.122 0.000 2.583 206 Y HA -0.057 4.495 4.550 0.004 0.000 0.293 206 Y C 2.167 178.214 175.900 0.244 0.000 1.157 206 Y CA 0.961 59.159 58.100 0.163 0.000 1.315 206 Y CB 0.327 38.873 38.460 0.143 0.000 1.021 206 Y HN 0.132 nan 8.280 nan 0.000 0.536 207 S N -1.867 114.017 115.700 0.306 0.000 2.593 207 S HA -0.050 4.423 4.470 0.004 0.000 0.217 207 S C 0.655 175.381 174.600 0.210 0.000 0.966 207 S CA -0.255 58.084 58.200 0.233 0.000 0.914 207 S CB -0.529 62.771 63.200 0.167 0.000 0.776 207 S HN 0.358 nan 8.310 nan 0.000 0.523 208 H N 2.888 122.057 119.070 0.165 0.000 2.972 208 H HA 0.051 4.609 4.556 0.004 0.000 0.343 208 H C 0.451 175.748 175.328 -0.051 0.000 1.054 208 H CA 0.738 56.801 56.048 0.026 0.000 1.412 208 H CB 0.477 30.210 29.762 -0.048 0.000 1.385 208 H HN 0.133 nan 8.280 nan 0.000 0.600 209 D N 4.492 124.802 120.400 -0.151 0.000 2.203 209 D HA -0.194 4.448 4.640 0.004 0.000 0.199 209 D C 2.290 178.609 176.300 0.031 0.000 0.997 209 D CA 1.006 54.982 54.000 -0.040 0.000 0.863 209 D CB 0.173 40.892 40.800 -0.134 0.000 0.928 209 D HN 0.585 nan 8.370 nan 0.000 0.458 210 L N -0.384 120.881 121.223 0.070 0.000 2.265 210 L HA -0.176 4.166 4.340 0.004 0.000 0.215 210 L C 1.497 178.186 176.870 -0.302 0.000 1.117 210 L CA 0.785 55.462 54.840 -0.272 0.000 0.782 210 L CB -0.234 41.452 42.059 -0.622 0.000 0.914 210 L HN 0.098 nan 8.230 nan 0.000 0.441 211 Y N -0.491 119.867 120.300 0.097 0.000 2.458 211 Y HA 0.128 4.680 4.550 0.004 0.000 0.256 211 Y C 1.177 177.123 175.900 0.077 0.000 1.159 211 Y CA -1.067 57.078 58.100 0.075 0.000 1.261 211 Y CB -0.469 38.051 38.460 0.100 0.000 1.119 211 Y HN 0.165 nan 8.280 nan 0.000 0.524 212 R N 0.111 120.703 120.500 0.155 0.000 2.640 212 R HA 0.315 4.657 4.340 0.004 0.000 0.270 212 R C 1.250 177.600 176.300 0.084 0.000 1.024 212 R CA 0.923 57.090 56.100 0.110 0.000 1.085 212 R CB 0.004 30.341 30.300 0.062 0.000 0.963 212 R HN 0.402 nan 8.270 nan 0.000 0.426 213 G N 1.387 110.228 108.800 0.069 0.000 2.304 213 G HA2 -0.418 3.545 3.960 0.004 0.000 0.252 213 G HA3 -0.418 3.545 3.960 0.004 0.000 0.252 213 G C 0.808 175.728 174.900 0.034 0.000 1.014 213 G CA 0.481 45.605 45.100 0.039 0.000 0.619 213 G HN 0.893 nan 8.290 nan 0.000 0.525 214 A N -1.021 121.841 122.820 0.070 0.000 2.063 214 A HA 0.725 5.047 4.320 0.004 0.000 0.211 214 A C 1.008 178.618 177.584 0.044 0.000 1.177 214 A CA 1.814 53.883 52.037 0.053 0.000 0.759 214 A CB 0.523 19.587 19.000 0.107 0.000 0.857 214 A HN 1.736 nan 8.150 nan 0.000 0.468 215 V N 0.163 120.135 119.914 0.098 0.000 3.048 215 V HA 0.518 4.640 4.120 0.004 0.000 0.303 215 V C -2.217 173.959 176.094 0.138 0.000 1.214 215 V CA -0.936 61.424 62.300 0.100 0.000 0.984 215 V CB 2.224 34.145 31.823 0.163 0.000 1.054 215 V HN 0.351 nan 8.190 nan 0.000 0.430 216 N N 3.982 122.759 118.700 0.128 0.000 2.558 216 N HA 0.259 5.001 4.740 0.004 0.000 0.242 216 N C 0.693 176.330 175.510 0.213 0.000 0.979 216 N CA 0.132 53.264 53.050 0.137 0.000 0.931 216 N CB 1.635 40.173 38.487 0.084 0.000 1.122 216 N HN 0.735 nan 8.380 nan 0.000 0.508 217 V N 1.239 121.256 119.914 0.173 0.000 2.720 217 V HA -0.098 4.024 4.120 0.004 0.000 0.256 217 V C 1.227 177.306 176.094 -0.024 0.000 1.082 217 V CA 1.500 63.784 62.300 -0.027 0.000 1.101 217 V CB -0.562 31.193 31.823 -0.113 0.000 0.693 217 V HN 0.586 nan 8.190 nan 0.000 0.479 218 E N 0.533 120.809 120.200 0.127 0.000 2.418 218 E HA -0.062 4.291 4.350 0.004 0.000 0.197 218 E C 0.475 177.150 176.600 0.125 0.000 1.026 218 E CA 0.591 57.087 56.400 0.161 0.000 0.862 218 E CB -0.084 29.687 29.700 0.117 0.000 0.799 218 E HN 0.614 nan 8.360 nan 0.000 0.518 219 D N 1.271 121.750 120.400 0.131 0.000 2.374 219 D HA -0.011 4.631 4.640 0.004 0.000 0.240 219 D C 0.235 176.624 176.300 0.150 0.000 1.229 219 D CA -0.148 53.923 54.000 0.117 0.000 0.895 219 D CB 0.639 41.494 40.800 0.091 0.000 1.046 219 D HN -0.129 nan 8.370 nan 0.000 0.498 220 D N 2.247 122.706 120.400 0.100 0.000 2.182 220 D HA -0.188 4.455 4.640 0.004 0.000 0.201 220 D C 1.203 177.544 176.300 0.068 0.000 0.986 220 D CA 0.859 54.912 54.000 0.088 0.000 0.847 220 D CB 0.106 40.942 40.800 0.059 0.000 0.942 220 D HN 0.532 nan 8.370 nan 0.000 0.467 221 D N -0.311 120.108 120.400 0.032 0.000 2.350 221 D HA -0.114 4.528 4.640 0.004 0.000 0.216 221 D C 1.719 177.982 176.300 -0.061 0.000 0.968 221 D CA 0.712 54.703 54.000 -0.015 0.000 0.894 221 D CB 0.208 40.993 40.800 -0.025 0.000 0.909 221 D HN -0.076 nan 8.370 nan 0.000 0.520 222 K N -1.147 119.222 120.400 -0.051 0.000 2.323 222 K HA 0.163 4.485 4.320 0.004 0.000 0.197 222 K C -0.496 175.810 176.600 -0.490 0.000 1.043 222 K CA 0.323 56.452 56.287 -0.264 0.000 0.997 222 K CB 0.124 32.442 32.500 -0.303 0.000 0.807 222 K HN 0.025 nan 8.250 nan 0.000 0.497 223 F N -0.464 119.371 119.950 -0.192 0.000 2.561 223 F HA 0.509 5.038 4.527 0.004 0.000 0.321 223 F C -0.282 175.410 175.800 -0.179 0.000 1.065 223 F CA -1.021 56.841 58.000 -0.231 0.000 0.934 223 F CB 2.433 41.256 39.000 -0.296 0.000 1.215 223 F HN -0.386 nan 8.300 nan 0.000 0.471 224 S N 0.969 116.676 115.700 0.012 0.000 2.571 224 S HA 0.546 5.018 4.470 0.004 0.000 0.284 224 S C -1.204 173.377 174.600 -0.032 0.000 1.128 224 S CA -0.737 57.441 58.200 -0.036 0.000 0.970 224 S CB 1.972 65.111 63.200 -0.102 0.000 1.039 224 S HN 0.294 nan 8.310 nan 0.000 0.485 225 V N 4.547 124.450 119.914 -0.019 0.000 2.364 225 V HA 0.500 4.623 4.120 0.004 0.000 0.272 225 V C -0.498 175.600 176.094 0.006 0.000 1.036 225 V CA -0.211 62.086 62.300 -0.004 0.000 0.880 225 V CB 0.454 32.275 31.823 -0.003 0.000 0.991 225 V HN 0.771 nan 8.190 nan 0.000 0.460 226 I N 7.226 127.818 120.570 0.037 0.000 2.542 226 I HA 0.339 4.512 4.170 0.004 0.000 0.278 226 I C -2.648 173.564 176.117 0.158 0.000 1.069 226 I CA -1.669 59.679 61.300 0.080 0.000 1.100 226 I CB 2.184 40.222 38.000 0.064 0.000 1.204 226 I HN 0.438 nan 8.210 nan 0.000 0.470 227 P HA 0.200 nan 4.420 nan 0.000 0.272 227 P C -2.413 174.940 177.300 0.088 0.000 1.223 227 P CA -1.057 62.130 63.100 0.146 0.000 0.784 227 P CB -0.032 31.758 31.700 0.150 0.000 0.923 228 P HA 0.143 nan 4.420 nan 0.000 0.274 228 P C 0.042 176.893 177.300 -0.748 0.000 1.231 228 P CA 0.069 62.976 63.100 -0.322 0.000 0.790 228 P CB 0.743 32.468 31.700 0.041 0.000 0.951 229 G N 0.556 108.285 108.800 -1.786 0.000 2.522 229 G HA2 0.407 4.369 3.960 0.004 0.000 0.304 229 G HA3 0.407 4.369 3.960 0.004 0.000 0.304 229 G C -0.579 173.669 174.900 -1.087 0.000 1.210 229 G CA -0.620 43.697 45.100 -1.304 0.000 0.960 229 G HN 0.465 nan 8.290 nan 0.000 0.497 230 V N 0.286 119.902 119.914 -0.496 0.000 2.881 230 V HA 0.221 4.343 4.120 0.004 0.000 0.303 230 V C 0.438 176.541 176.094 0.015 0.000 1.070 230 V CA -0.956 61.216 62.300 -0.212 0.000 1.074 230 V CB 1.492 33.225 31.823 -0.150 0.000 1.012 230 V HN 0.689 nan 8.190 nan 0.000 0.482 231 N N 3.148 121.980 118.700 0.220 0.000 2.671 231 N HA 0.025 4.768 4.740 0.004 0.000 0.274 231 N C 1.102 176.851 175.510 0.398 0.000 1.188 231 N CA 0.674 53.968 53.050 0.406 0.000 1.065 231 N CB 0.639 39.392 38.487 0.443 0.000 1.415 231 N HN 0.908 nan 8.380 nan 0.000 0.511 232 T N -0.201 114.538 114.554 0.308 0.000 3.085 232 T HA 0.066 4.418 4.350 0.004 0.000 0.263 232 T C 1.697 176.510 174.700 0.189 0.000 1.127 232 T CA 0.422 62.668 62.100 0.243 0.000 1.103 232 T CB 0.269 69.246 68.868 0.181 0.000 0.921 232 T HN 0.329 nan 8.240 nan 0.000 0.510 233 R N 0.569 121.175 120.500 0.176 0.000 2.075 233 R HA 0.032 4.374 4.340 0.004 0.000 0.232 233 R C 2.332 178.668 176.300 0.060 0.000 1.126 233 R CA 1.179 57.341 56.100 0.102 0.000 0.963 233 R CB -0.539 29.814 30.300 0.089 0.000 0.858 233 R HN 0.317 nan 8.270 nan 0.000 0.435 234 V N 0.031 119.972 119.914 0.045 0.000 2.300 234 V HA -0.088 4.034 4.120 0.004 0.000 0.241 234 V C 0.815 176.775 176.094 -0.224 0.000 1.034 234 V CA 1.126 63.342 62.300 -0.140 0.000 1.021 234 V CB -0.232 31.425 31.823 -0.276 0.000 0.662 234 V HN 0.082 nan 8.190 nan 0.000 0.458 235 F N 2.536 122.539 119.950 0.089 0.000 2.661 235 F HA 0.198 4.727 4.527 0.004 0.000 0.356 235 F C 0.924 176.778 175.800 0.090 0.000 1.244 235 F CA -0.647 57.411 58.000 0.097 0.000 1.290 235 F CB -0.407 38.647 39.000 0.089 0.000 1.677 235 F HN 0.326 nan 8.300 nan 0.000 0.649 236 D N -0.889 119.609 120.400 0.164 0.000 2.363 236 D HA 0.159 4.802 4.640 0.004 0.000 0.214 236 D C 1.746 178.125 176.300 0.132 0.000 1.093 236 D CA 0.328 54.407 54.000 0.131 0.000 0.837 236 D CB 0.156 41.005 40.800 0.082 0.000 0.948 236 D HN 0.484 nan 8.370 nan 0.000 0.507 237 G N -0.022 108.883 108.800 0.175 0.000 2.162 237 G HA2 -0.290 3.673 3.960 0.004 0.000 0.260 237 G HA3 -0.290 3.673 3.960 0.004 0.000 0.260 237 G C -0.060 174.952 174.900 0.187 0.000 0.976 237 G CA 0.324 45.533 45.100 0.182 0.000 0.655 237 G HN 0.483 nan 8.290 nan 0.000 0.533 238 E N -1.212 119.083 120.200 0.159 0.000 2.320 238 E HA 0.754 5.106 4.350 0.004 0.000 0.264 238 E C -0.593 176.119 176.600 0.186 0.000 0.923 238 E CA -1.117 55.342 56.400 0.097 0.000 0.796 238 E CB 1.526 31.228 29.700 0.004 0.000 1.262 238 E HN 0.641 nan 8.360 nan 0.000 0.428 239 Y N -2.122 118.233 120.300 0.092 0.000 2.513 239 Y HA 0.678 5.231 4.550 0.004 0.000 0.340 239 Y C -0.230 175.701 175.900 0.052 0.000 1.055 239 Y CA -1.339 56.811 58.100 0.083 0.000 1.020 239 Y CB 0.764 39.312 38.460 0.148 0.000 1.301 239 Y HN 0.544 nan 8.280 nan 0.000 0.453 240 G N 0.970 109.852 108.800 0.138 0.000 2.562 240 G HA2 0.209 4.172 3.960 0.004 0.000 0.275 240 G HA3 0.209 4.172 3.960 0.004 0.000 0.275 240 G C -0.365 174.610 174.900 0.124 0.000 1.196 240 G CA -0.257 44.876 45.100 0.055 0.000 0.908 240 G HN 0.884 nan 8.290 nan 0.000 0.524 241 D N -1.032 119.400 120.400 0.053 0.000 2.269 241 D HA -0.068 4.574 4.640 0.004 0.000 0.208 241 D C 2.141 178.439 176.300 -0.002 0.000 0.963 241 D CA 0.870 54.899 54.000 0.049 0.000 0.864 241 D CB 0.182 40.992 40.800 0.017 0.000 0.936 241 D HN 0.452 nan 8.370 nan 0.000 0.505 242 K N -0.251 120.143 120.400 -0.010 0.000 2.062 242 K HA -0.086 4.236 4.320 0.004 0.000 0.205 242 K C 1.931 178.493 176.600 -0.063 0.000 1.051 242 K CA 0.642 56.905 56.287 -0.040 0.000 0.941 242 K CB -0.081 32.400 32.500 -0.031 0.000 0.719 242 K HN 0.090 nan 8.250 nan 0.000 0.440 243 I N 1.973 122.523 120.570 -0.032 0.000 2.315 243 I HA -0.215 3.958 4.170 0.004 0.000 0.248 243 I C 2.089 178.104 176.117 -0.171 0.000 1.117 243 I CA 1.470 62.738 61.300 -0.053 0.000 1.404 243 I CB -0.249 37.763 38.000 0.019 0.000 1.071 243 I HN 0.132 nan 8.210 nan 0.000 0.419 244 K N 0.592 120.860 120.400 -0.220 0.000 2.057 244 K HA -0.183 4.140 4.320 0.004 0.000 0.207 244 K C 2.083 178.403 176.600 -0.465 0.000 1.049 244 K CA 1.561 57.498 56.287 -0.582 0.000 0.931 244 K CB -0.278 31.979 32.500 -0.404 0.000 0.714 244 K HN 0.379 nan 8.250 nan 0.000 0.440 245 A N 1.634 124.300 122.820 -0.256 0.000 1.898 245 A HA -0.186 4.137 4.320 0.004 0.000 0.216 245 A C 2.081 179.518 177.584 -0.244 0.000 1.181 245 A CA 1.749 53.661 52.037 -0.208 0.000 0.620 245 A CB -0.502 18.414 19.000 -0.140 0.000 0.819 245 A HN 0.417 nan 8.150 nan 0.000 0.442 246 K N -0.475 119.780 120.400 -0.242 0.000 2.026 246 K HA -0.134 4.188 4.320 0.004 0.000 0.208 246 K C 1.757 178.136 176.600 -0.368 0.000 1.048 246 K CA 1.629 57.735 56.287 -0.303 0.000 0.929 246 K CB -0.232 32.150 32.500 -0.197 0.000 0.713 246 K HN 0.358 nan 8.250 nan 0.000 0.439 247 I N 1.333 121.729 120.570 -0.290 0.000 2.252 247 I HA -0.186 3.986 4.170 0.004 0.000 0.245 247 I C 2.182 178.160 176.117 -0.231 0.000 1.102 247 I CA 1.383 62.511 61.300 -0.287 0.000 1.385 247 I CB -1.536 36.383 38.000 -0.136 0.000 1.064 247 I HN 0.218 nan 8.210 nan 0.000 0.414 248 T N 0.813 115.226 114.554 -0.234 0.000 2.720 248 T HA -0.231 4.121 4.350 0.004 0.000 0.268 248 T C 1.983 176.613 174.700 -0.117 0.000 1.037 248 T CA 1.601 63.629 62.100 -0.121 0.000 1.144 248 T CB -0.139 68.650 68.868 -0.132 0.000 0.864 248 T HN 0.290 nan 8.240 nan 0.000 0.444 249 K N -0.282 119.993 120.400 -0.207 0.000 2.057 249 K HA -0.139 4.184 4.320 0.004 0.000 0.207 249 K C 2.010 178.511 176.600 -0.165 0.000 1.049 249 K CA 1.367 57.524 56.287 -0.216 0.000 0.931 249 K CB -0.206 32.096 32.500 -0.330 0.000 0.714 249 K HN 0.321 nan 8.250 nan 0.000 0.440 250 Y N 0.991 121.165 120.300 -0.211 0.000 2.200 250 Y HA -0.129 4.424 4.550 0.004 0.000 0.290 250 Y C 2.002 177.870 175.900 -0.054 0.000 1.137 250 Y CA 0.980 58.965 58.100 -0.191 0.000 1.163 250 Y CB -0.346 37.769 38.460 -0.575 0.000 0.988 250 Y HN 0.001 nan 8.280 nan 0.000 0.518 251 L N -0.331 120.950 121.223 0.097 0.000 2.046 251 L HA -0.219 4.124 4.340 0.004 0.000 0.208 251 L C 2.215 179.142 176.870 0.096 0.000 1.077 251 L CA 1.586 56.507 54.840 0.135 0.000 0.747 251 L CB -0.568 41.568 42.059 0.128 0.000 0.896 251 L HN 0.255 nan 8.230 nan 0.000 0.432 252 E N -0.215 120.016 120.200 0.052 0.000 2.110 252 E HA -0.248 4.104 4.350 0.004 0.000 0.193 252 E C 2.263 178.890 176.600 0.044 0.000 0.988 252 E CA 0.784 57.205 56.400 0.034 0.000 0.804 252 E CB -0.127 29.575 29.700 0.005 0.000 0.745 252 E HN 0.337 nan 8.360 nan 0.000 0.458 253 R N 0.854 121.393 120.500 0.066 0.000 2.081 253 R HA -0.167 4.176 4.340 0.004 0.000 0.235 253 R C 1.028 177.381 176.300 0.088 0.000 1.131 253 R CA 1.817 57.968 56.100 0.085 0.000 0.960 253 R CB 0.143 30.527 30.300 0.141 0.000 0.856 253 R HN 0.110 nan 8.270 nan 0.000 0.436 254 D N -0.305 120.164 120.400 0.115 0.000 2.338 254 D HA 0.097 4.739 4.640 0.004 0.000 0.208 254 D C 0.394 176.709 176.300 0.025 0.000 0.997 254 D CA 0.322 54.368 54.000 0.077 0.000 0.880 254 D CB 0.394 41.297 40.800 0.173 0.000 0.980 254 D HN 0.175 nan 8.370 nan 0.000 0.509 255 L N 0.864 122.117 121.223 0.051 0.000 2.343 255 L HA 0.472 4.814 4.340 0.004 0.000 0.275 255 L C 1.148 178.027 176.870 0.016 0.000 1.056 255 L CA -1.036 53.824 54.840 0.034 0.000 0.804 255 L CB 1.419 43.511 42.059 0.056 0.000 1.203 255 L HN -0.120 nan 8.230 nan 0.000 0.440 256 G N 0.140 108.943 108.800 0.006 0.000 2.491 256 G HA2 0.108 4.071 3.960 0.004 0.000 0.238 256 G HA3 0.108 4.071 3.960 0.004 0.000 0.238 256 G C 1.019 175.923 174.900 0.006 0.000 1.277 256 G CA 0.105 45.205 45.100 -0.000 0.000 0.851 256 G HN 0.841 nan 8.290 nan 0.000 0.573 257 S N 0.447 116.149 115.700 0.003 0.000 2.469 257 S HA -0.150 4.323 4.470 0.004 0.000 0.238 257 S C 1.699 176.301 174.600 0.002 0.000 0.998 257 S CA 1.449 59.652 58.200 0.004 0.000 0.957 257 S CB -0.034 63.167 63.200 0.002 0.000 0.764 257 S HN 0.779 nan 8.310 nan 0.000 0.514 258 E N 2.326 122.525 120.200 -0.001 0.000 2.502 258 E HA -0.086 4.266 4.350 0.004 0.000 0.194 258 E C 1.145 177.741 176.600 -0.006 0.000 1.062 258 E CA 0.117 56.514 56.400 -0.004 0.000 0.867 258 E CB -0.265 29.430 29.700 -0.008 0.000 0.888 258 E HN 0.789 nan 8.360 nan 0.000 0.510 259 R N 0.202 120.702 120.500 0.000 0.000 2.613 259 R HA 0.334 4.677 4.340 0.004 0.000 0.361 259 R C 1.002 177.304 176.300 0.004 0.000 1.072 259 R CA -0.388 55.712 56.100 -0.001 0.000 1.089 259 R CB -0.022 30.282 30.300 0.007 0.000 1.343 259 R HN 0.013 nan 8.270 nan 0.000 0.571 260 M N 0.706 120.311 119.600 0.009 0.000 2.619 260 M HA 0.054 4.536 4.480 0.004 0.000 0.251 260 M C 0.563 176.867 176.300 0.008 0.000 1.106 260 M CA 1.060 56.372 55.300 0.020 0.000 1.086 260 M CB -0.169 32.447 32.600 0.027 0.000 1.465 260 M HN 0.050 nan 8.290 nan 0.000 0.506 261 E N 0.259 120.452 120.200 -0.011 0.000 2.481 261 E HA 0.296 4.648 4.350 0.004 0.000 0.198 261 E C 0.555 177.122 176.600 -0.055 0.000 1.027 261 E CA 0.052 56.435 56.400 -0.028 0.000 0.900 261 E CB 0.484 30.168 29.700 -0.027 0.000 0.993 261 E HN 0.421 nan 8.360 nan 0.000 0.482 262 L N 3.192 124.381 121.223 -0.056 0.000 2.418 262 L HA 0.228 4.571 4.340 0.004 0.000 0.265 262 L C -1.806 175.006 176.870 -0.096 0.000 1.143 262 L CA -1.699 53.084 54.840 -0.095 0.000 0.809 262 L CB 0.154 42.159 42.059 -0.090 0.000 1.124 262 L HN -0.126 nan 8.230 nan 0.000 0.456 263 P HA 0.246 nan 4.420 nan 0.000 0.276 263 P C -1.233 176.060 177.300 -0.013 0.000 1.261 263 P CA -0.451 62.604 63.100 -0.076 0.000 0.800 263 P CB 1.202 32.868 31.700 -0.057 0.000 1.066 264 A N 1.173 124.055 122.820 0.102 0.000 2.330 264 A HA 0.685 5.007 4.320 0.004 0.000 0.329 264 A C -0.285 177.442 177.584 0.238 0.000 1.135 264 A CA -0.943 51.170 52.037 0.127 0.000 0.817 264 A CB 0.610 19.681 19.000 0.118 0.000 1.269 264 A HN 0.463 nan 8.150 nan 0.000 0.469 265 I N 1.939 122.600 120.570 0.152 0.000 2.330 265 I HA 0.360 4.532 4.170 0.004 0.000 0.289 265 I C -0.517 175.612 176.117 0.021 0.000 1.001 265 I CA -0.101 61.274 61.300 0.125 0.000 1.193 265 I CB 1.225 39.271 38.000 0.077 0.000 1.345 265 I HN 0.607 nan 8.210 nan 0.000 0.461 266 I N 6.330 126.923 120.570 0.039 0.000 2.404 266 I HA 0.729 4.902 4.170 0.004 0.000 0.293 266 I C -0.409 175.669 176.117 -0.065 0.000 0.992 266 I CA -0.249 61.077 61.300 0.044 0.000 1.149 266 I CB 1.205 39.332 38.000 0.210 0.000 1.315 266 I HN 0.647 nan 8.210 nan 0.000 0.446 267 A N 4.980 127.739 122.820 -0.101 0.000 2.343 267 A HA 0.733 5.055 4.320 0.004 0.000 0.316 267 A C -0.653 176.922 177.584 -0.015 0.000 1.104 267 A CA -0.356 51.560 52.037 -0.200 0.000 0.768 267 A CB 1.207 20.034 19.000 -0.290 0.000 1.213 267 A HN 0.750 nan 8.150 nan 0.000 0.456 268 S N 1.178 116.929 115.700 0.086 0.000 2.381 268 S HA 0.642 5.115 4.470 0.004 0.000 0.193 268 S C -0.530 174.161 174.600 0.152 0.000 1.287 268 S CA 0.140 58.434 58.200 0.156 0.000 1.199 268 S CB 0.066 63.429 63.200 0.271 0.000 1.214 268 S HN 1.872 nan 8.310 nan 0.000 0.444 269 S N 1.882 117.656 115.700 0.124 0.000 2.651 269 S HA 0.691 5.163 4.470 0.004 0.000 0.279 269 S C -0.505 174.191 174.600 0.161 0.000 1.148 269 S CA -1.235 57.031 58.200 0.109 0.000 0.837 269 S CB 1.133 64.350 63.200 0.028 0.000 1.138 269 S HN 0.697 nan 8.310 nan 0.000 0.478 270 R N -0.150 120.415 120.500 0.109 0.000 2.643 270 R HA 0.231 4.574 4.340 0.004 0.000 0.270 270 R C -0.712 175.648 176.300 0.100 0.000 1.061 270 R CA -0.428 55.714 56.100 0.070 0.000 1.107 270 R CB -0.036 30.293 30.300 0.048 0.000 0.999 270 R HN 0.480 nan 8.270 nan 0.000 0.460 271 L N 3.341 124.537 121.223 -0.045 0.000 2.395 271 L HA 0.070 4.413 4.340 0.004 0.000 0.268 271 L C -0.146 176.706 176.870 -0.030 0.000 1.223 271 L CA 0.542 55.285 54.840 -0.162 0.000 1.093 271 L CB -0.501 41.364 42.059 -0.323 0.000 1.349 271 L HN 0.539 nan 8.230 nan 0.000 0.427 272 D N -0.826 119.612 120.400 0.063 0.000 2.340 272 D HA 0.208 4.850 4.640 0.004 0.000 0.240 272 D C 0.768 177.134 176.300 0.111 0.000 1.001 272 D CA -0.512 53.531 54.000 0.071 0.000 0.888 272 D CB 1.272 42.116 40.800 0.074 0.000 1.310 272 D HN 0.272 nan 8.370 nan 0.000 0.474 273 Q N 1.013 120.878 119.800 0.108 0.000 2.135 273 Q HA -0.173 4.169 4.340 0.004 0.000 0.204 273 Q C 1.364 177.505 176.000 0.236 0.000 0.981 273 Q CA 1.271 57.168 55.803 0.156 0.000 0.856 273 Q CB 0.014 28.829 28.738 0.128 0.000 0.902 273 Q HN 0.528 nan 8.270 nan 0.000 0.425 274 K N 0.393 120.917 120.400 0.206 0.000 2.211 274 K HA -0.148 4.175 4.320 0.004 0.000 0.204 274 K C 1.856 178.523 176.600 0.111 0.000 1.047 274 K CA 0.831 57.273 56.287 0.257 0.000 0.935 274 K CB 0.073 32.683 32.500 0.184 0.000 0.728 274 K HN -0.100 nan 8.250 nan 0.000 0.452 275 K N 0.809 121.238 120.400 0.048 0.000 2.288 275 K HA -0.077 4.245 4.320 0.004 0.000 0.201 275 K C 0.200 176.663 176.600 -0.229 0.000 1.048 275 K CA 0.404 56.646 56.287 -0.074 0.000 0.956 275 K CB -0.495 32.022 32.500 0.028 0.000 0.746 275 K HN 0.126 nan 8.250 nan 0.000 0.461 276 N N 0.262 118.862 118.700 -0.167 0.000 2.738 276 N HA -0.218 4.525 4.740 0.004 0.000 0.249 276 N C -0.176 175.248 175.510 -0.143 0.000 1.047 276 N CA 0.646 53.531 53.050 -0.275 0.000 0.707 276 N CB -1.583 36.331 38.487 -0.956 0.000 0.937 276 N HN 0.394 nan 8.380 nan 0.000 0.545 277 H N -1.223 117.802 119.070 -0.076 0.000 2.421 277 H HA -0.066 4.492 4.556 0.004 0.000 0.298 277 H C 1.501 176.808 175.328 -0.035 0.000 1.087 277 H CA 2.031 58.031 56.048 -0.079 0.000 1.330 277 H CB -0.194 29.522 29.762 -0.076 0.000 1.388 277 H HN 0.593 nan 8.280 nan 0.000 0.526 278 Y N 0.675 121.011 120.300 0.060 0.000 2.114 278 Y HA -0.250 4.303 4.550 0.005 0.000 0.282 278 Y C 2.680 178.594 175.900 0.022 0.000 1.165 278 Y CA 1.748 59.875 58.100 0.044 0.000 1.148 278 Y CB -0.643 37.856 38.460 0.067 0.000 0.972 278 Y HN 0.207 nan 8.280 nan 0.000 0.504 279 G N -0.024 108.871 108.800 0.158 0.000 2.422 279 G HA2 -0.285 3.677 3.960 0.004 0.000 0.218 279 G HA3 -0.285 3.677 3.960 0.004 0.000 0.218 279 G C 1.542 176.416 174.900 -0.044 0.000 1.146 279 G CA 1.045 46.186 45.100 0.068 0.000 0.769 279 G HN 0.451 nan 8.290 nan 0.000 0.547 280 L N 0.813 121.986 121.223 -0.085 0.000 2.027 280 L HA 0.039 4.382 4.340 0.004 0.000 0.206 280 L C 2.897 179.740 176.870 -0.046 0.000 1.074 280 L CA 1.450 56.236 54.840 -0.088 0.000 0.745 280 L CB -0.595 41.374 42.059 -0.151 0.000 0.898 280 L HN 0.071 nan 8.230 nan 0.000 0.433 281 V N -0.073 119.792 119.914 -0.080 0.000 2.343 281 V HA -0.283 3.839 4.120 0.004 0.000 0.247 281 V C 2.582 178.642 176.094 -0.058 0.000 1.051 281 V CA 1.926 64.193 62.300 -0.055 0.000 1.036 281 V CB -0.738 31.019 31.823 -0.110 0.000 0.654 281 V HN 0.613 nan 8.190 nan 0.000 0.451 282 E N 0.493 120.577 120.200 -0.195 0.000 2.051 282 E HA -0.240 4.112 4.350 0.004 0.000 0.192 282 E C 2.251 178.825 176.600 -0.044 0.000 0.991 282 E CA 1.454 57.750 56.400 -0.172 0.000 0.799 282 E CB -0.265 29.301 29.700 -0.225 0.000 0.748 282 E HN 0.550 nan 8.360 nan 0.000 0.449 283 A N 0.198 123.011 122.820 -0.011 0.000 1.908 283 A HA -0.216 4.106 4.320 0.004 0.000 0.218 283 A C 2.060 179.671 177.584 0.044 0.000 1.181 283 A CA 1.604 53.653 52.037 0.019 0.000 0.627 283 A CB -0.924 18.090 19.000 0.024 0.000 0.818 283 A HN 0.594 nan 8.150 nan 0.000 0.445 284 Y N 0.869 121.142 120.300 -0.045 0.000 2.133 284 Y HA -0.147 4.405 4.550 0.003 0.000 0.287 284 Y C 2.452 178.336 175.900 -0.027 0.000 1.134 284 Y CA 2.215 60.298 58.100 -0.028 0.000 1.133 284 Y CB -0.272 38.172 38.460 -0.027 0.000 0.987 284 Y HN 0.200 nan 8.280 nan 0.000 0.502 285 V N -1.156 118.751 119.914 -0.012 0.000 2.970 285 V HA -0.147 3.975 4.120 0.004 0.000 0.260 285 V C 1.140 177.164 176.094 -0.118 0.000 1.100 285 V CA 1.765 64.009 62.300 -0.093 0.000 1.122 285 V CB -0.650 31.185 31.823 0.020 0.000 0.721 285 V HN 0.539 nan 8.190 nan 0.000 0.483 286 Q N 1.008 120.753 119.800 -0.093 0.000 2.280 286 Q HA 0.276 4.618 4.340 0.004 0.000 0.201 286 Q C 0.274 176.224 176.000 -0.083 0.000 0.890 286 Q CA -0.039 55.722 55.803 -0.069 0.000 0.947 286 Q CB 0.142 28.860 28.738 -0.033 0.000 1.081 286 Q HN 0.680 nan 8.270 nan 0.000 0.502 287 N N 1.423 120.041 118.700 -0.138 0.000 2.573 287 N HA 0.058 4.800 4.740 0.004 0.000 0.262 287 N C 0.445 175.845 175.510 -0.185 0.000 1.029 287 N CA -0.014 52.961 53.050 -0.125 0.000 0.882 287 N CB 1.035 39.469 38.487 -0.090 0.000 1.204 287 N HN 0.116 nan 8.380 nan 0.000 0.519 288 K N 2.054 122.374 120.400 -0.135 0.000 2.148 288 K HA -0.130 4.192 4.320 0.004 0.000 0.204 288 K C 1.250 177.778 176.600 -0.121 0.000 1.050 288 K CA 0.908 57.113 56.287 -0.137 0.000 0.942 288 K CB 0.206 32.653 32.500 -0.089 0.000 0.724 288 K HN 0.525 nan 8.250 nan 0.000 0.446 289 E N 1.218 121.366 120.200 -0.086 0.000 2.077 289 E HA -0.205 4.148 4.350 0.004 0.000 0.193 289 E C 2.079 178.633 176.600 -0.076 0.000 0.989 289 E CA 0.779 57.141 56.400 -0.063 0.000 0.800 289 E CB -0.018 29.663 29.700 -0.030 0.000 0.746 289 E HN 0.282 nan 8.360 nan 0.000 0.452 290 L N 1.620 122.791 121.223 -0.086 0.000 2.027 290 L HA -0.223 4.120 4.340 0.004 0.000 0.206 290 L C 2.575 179.366 176.870 -0.133 0.000 1.074 290 L CA 2.326 57.127 54.840 -0.065 0.000 0.745 290 L CB -0.744 41.306 42.059 -0.014 0.000 0.898 290 L HN 0.300 nan 8.230 nan 0.000 0.433 291 Q N -1.974 117.635 119.800 -0.319 0.000 2.291 291 Q HA -0.197 4.145 4.340 0.004 0.000 0.205 291 Q C 1.164 177.095 176.000 -0.116 0.000 0.970 291 Q CA 1.566 57.170 55.803 -0.331 0.000 0.876 291 Q CB -0.527 27.857 28.738 -0.591 0.000 0.935 291 Q HN 0.447 nan 8.270 nan 0.000 0.455 292 D N 1.767 122.097 120.400 -0.117 0.000 2.312 292 D HA -0.094 4.549 4.640 0.004 0.000 0.211 292 D C 1.398 177.642 176.300 -0.093 0.000 0.964 292 D CA 1.280 55.230 54.000 -0.083 0.000 0.877 292 D CB 0.119 40.875 40.800 -0.073 0.000 0.924 292 D HN 0.610 nan 8.370 nan 0.000 0.515 293 K N -0.547 119.776 120.400 -0.128 0.000 2.374 293 K HA 0.476 4.798 4.320 0.004 0.000 0.202 293 K C -0.053 176.353 176.600 -0.324 0.000 1.040 293 K CA -0.205 55.957 56.287 -0.207 0.000 1.085 293 K CB 1.106 33.472 32.500 -0.224 0.000 0.873 293 K HN -0.061 nan 8.250 nan 0.000 0.539 294 A N 0.644 123.347 122.820 -0.195 0.000 2.608 294 A HA 0.463 4.786 4.320 0.004 0.000 0.292 294 A C -1.871 175.759 177.584 0.076 0.000 1.066 294 A CA -1.023 50.907 52.037 -0.178 0.000 0.676 294 A CB 0.997 19.751 19.000 -0.411 0.000 1.277 294 A HN 0.311 nan 8.150 nan 0.000 0.413 295 N N -0.616 118.101 118.700 0.028 0.000 2.472 295 N HA 0.620 5.362 4.740 0.004 0.000 0.289 295 N C -0.984 174.428 175.510 -0.163 0.000 1.156 295 N CA -0.578 52.482 53.050 0.017 0.000 0.940 295 N CB 1.735 40.238 38.487 0.026 0.000 1.200 295 N HN 0.545 nan 8.380 nan 0.000 0.511 296 L N 1.772 122.747 121.223 -0.412 0.000 2.307 296 L HA 0.575 4.917 4.340 0.004 0.000 0.284 296 L C -1.355 175.394 176.870 -0.201 0.000 1.023 296 L CA -0.555 53.984 54.840 -0.502 0.000 0.810 296 L CB 1.313 42.794 42.059 -0.963 0.000 1.231 296 L HN 0.260 nan 8.230 nan 0.000 0.423 297 V N 6.586 126.425 119.914 -0.125 0.000 2.487 297 V HA 0.499 4.622 4.120 0.004 0.000 0.298 297 V C -0.468 175.536 176.094 -0.150 0.000 1.028 297 V CA -0.517 61.736 62.300 -0.077 0.000 0.860 297 V CB 1.771 33.617 31.823 0.039 0.000 0.991 297 V HN 0.591 nan 8.190 nan 0.000 0.427 298 L N 4.855 125.944 121.223 -0.222 0.000 2.372 298 L HA 0.574 4.916 4.340 0.004 0.000 0.274 298 L C 0.375 177.016 176.870 -0.381 0.000 0.988 298 L CA -0.468 54.250 54.840 -0.204 0.000 0.833 298 L CB 2.211 44.196 42.059 -0.123 0.000 1.236 298 L HN 0.748 nan 8.230 nan 0.000 0.410 299 T N 1.104 115.454 114.554 -0.339 0.000 2.909 299 T HA 0.753 5.105 4.350 0.004 0.000 0.289 299 T C -0.047 174.504 174.700 -0.248 0.000 1.005 299 T CA -0.559 61.276 62.100 -0.442 0.000 1.084 299 T CB 1.486 70.173 68.868 -0.301 0.000 0.975 299 T HN 0.355 nan 8.240 nan 0.000 0.509 300 L N 0.859 121.938 121.223 -0.240 0.000 2.211 300 L HA 0.730 5.073 4.340 0.004 0.000 0.259 300 L C 0.211 177.035 176.870 -0.077 0.000 1.031 300 L CA -1.636 53.111 54.840 -0.155 0.000 0.877 300 L CB 1.584 43.538 42.059 -0.176 0.000 1.457 300 L HN 0.559 nan 8.230 nan 0.000 0.466 301 R N -0.836 119.632 120.500 -0.053 0.000 2.502 301 R HA 0.474 4.816 4.340 0.004 0.000 0.300 301 R C 0.290 176.588 176.300 -0.004 0.000 0.984 301 R CA 0.192 56.285 56.100 -0.012 0.000 0.882 301 R CB 1.643 31.942 30.300 -0.002 0.000 1.180 301 R HN 0.873 nan 8.270 nan 0.000 0.444 302 G N 2.651 111.461 108.800 0.016 0.000 2.302 302 G HA2 -0.316 3.647 3.960 0.004 0.000 0.263 302 G HA3 -0.316 3.647 3.960 0.004 0.000 0.263 302 G C 0.241 175.157 174.900 0.026 0.000 0.995 302 G CA 0.198 45.313 45.100 0.026 0.000 0.622 302 G HN 0.501 nan 8.290 nan 0.000 0.538 303 I N 1.106 121.679 120.570 0.006 0.000 2.321 303 I HA 0.310 4.482 4.170 0.004 0.000 0.291 303 I C 1.279 177.399 176.117 0.005 0.000 0.998 303 I CA -0.959 60.347 61.300 0.010 0.000 1.227 303 I CB 1.458 39.451 38.000 -0.010 0.000 1.368 303 I HN -0.079 nan 8.210 nan 0.000 0.466 304 E N 3.575 123.804 120.200 0.048 0.000 2.028 304 E HA -0.094 4.258 4.350 0.004 0.000 0.190 304 E C 0.376 177.019 176.600 0.071 0.000 0.984 304 E CA 1.302 57.753 56.400 0.085 0.000 0.800 304 E CB 0.044 29.824 29.700 0.134 0.000 0.758 304 E HN 0.541 nan 8.360 nan 0.000 0.448 305 N N -0.592 118.154 118.700 0.076 0.000 2.701 305 N HA 0.078 4.821 4.740 0.004 0.000 0.258 305 N C -2.431 173.121 175.510 0.069 0.000 1.262 305 N CA -1.315 51.791 53.050 0.095 0.000 0.780 305 N CB 1.369 39.963 38.487 0.177 0.000 1.380 305 N HN -0.239 nan 8.380 nan 0.000 0.548 306 P HA -0.056 nan 4.420 nan 0.000 0.222 306 P C 0.976 178.285 177.300 0.015 0.000 1.147 306 P CA 0.757 63.823 63.100 -0.057 0.000 0.790 306 P CB 0.012 31.462 31.700 -0.417 0.000 0.780 307 F N 0.360 120.377 119.950 0.112 0.000 2.699 307 F HA 0.007 4.536 4.527 0.004 0.000 0.298 307 F C 2.225 178.091 175.800 0.111 0.000 1.154 307 F CA 0.845 58.909 58.000 0.106 0.000 1.457 307 F CB -0.345 38.698 39.000 0.071 0.000 1.106 307 F HN -0.052 nan 8.300 nan 0.000 0.585 308 E N -0.928 119.424 120.200 0.253 0.000 2.367 308 E HA 0.109 4.461 4.350 0.004 0.000 0.204 308 E C -0.378 176.288 176.600 0.111 0.000 0.840 308 E CA 0.449 56.949 56.400 0.166 0.000 1.051 308 E CB 0.666 30.452 29.700 0.143 0.000 1.051 308 E HN 0.299 nan 8.360 nan 0.000 0.509 309 D N -0.971 119.506 120.400 0.128 0.000 2.721 309 D HA 0.069 4.711 4.640 0.004 0.000 0.221 309 D C -1.634 174.746 176.300 0.133 0.000 1.208 309 D CA -0.472 53.556 54.000 0.046 0.000 0.755 309 D CB 0.406 41.216 40.800 0.015 0.000 1.732 309 D HN 0.033 nan 8.370 nan 0.000 0.490 310 Y N 1.388 121.676 120.300 -0.020 0.000 2.614 310 Y HA 0.465 5.017 4.550 0.003 0.000 0.296 310 Y C 0.690 176.577 175.900 -0.022 0.000 0.942 310 Y CA -0.748 57.331 58.100 -0.035 0.000 1.111 310 Y CB 0.109 38.530 38.460 -0.065 0.000 1.182 310 Y HN 0.151 nan 8.280 nan 0.000 0.624 311 S N 0.403 116.072 115.700 -0.052 0.000 2.419 311 S HA -0.170 4.302 4.470 0.004 0.000 0.233 311 S C 1.986 176.591 174.600 0.008 0.000 1.016 311 S CA 1.467 59.635 58.200 -0.054 0.000 0.974 311 S CB -0.127 63.043 63.200 -0.051 0.000 0.786 311 S HN 0.663 nan 8.310 nan 0.000 0.492 312 R N 1.396 121.918 120.500 0.037 0.000 2.189 312 R HA 0.131 4.473 4.340 0.004 0.000 0.218 312 R C 0.708 177.037 176.300 0.048 0.000 1.074 312 R CA 0.474 56.597 56.100 0.038 0.000 0.991 312 R CB -0.207 30.116 30.300 0.039 0.000 0.883 312 R HN 0.339 nan 8.270 nan 0.000 0.457 313 A N 0.704 123.574 122.820 0.082 0.000 2.520 313 A HA 0.353 4.675 4.320 0.004 0.000 0.245 313 A C 0.504 178.126 177.584 0.063 0.000 1.072 313 A CA 0.339 52.425 52.037 0.081 0.000 0.761 313 A CB 0.268 19.361 19.000 0.154 0.000 1.004 313 A HN 0.457 nan 8.150 nan 0.000 0.499 314 G N 0.236 109.061 108.800 0.041 0.000 2.653 314 G HA2 0.313 4.276 3.960 0.004 0.000 0.265 314 G HA3 0.313 4.276 3.960 0.004 0.000 0.265 314 G C 0.736 175.661 174.900 0.041 0.000 1.237 314 G CA 0.370 45.491 45.100 0.035 0.000 0.946 314 G HN 0.819 nan 8.290 nan 0.000 0.522 315 Q N -0.547 119.274 119.800 0.035 0.000 2.061 315 Q HA -0.177 4.165 4.340 0.004 0.000 0.204 315 Q C 2.338 178.359 176.000 0.034 0.000 0.984 315 Q CA 2.712 58.537 55.803 0.036 0.000 0.846 315 Q CB -0.420 28.335 28.738 0.028 0.000 0.902 315 Q HN 0.809 nan 8.270 nan 0.000 0.421 316 E N -0.315 119.901 120.200 0.026 0.000 2.051 316 E HA -0.246 4.106 4.350 0.004 0.000 0.192 316 E C 1.730 178.334 176.600 0.006 0.000 0.991 316 E CA 1.549 57.961 56.400 0.020 0.000 0.799 316 E CB -0.106 29.608 29.700 0.022 0.000 0.748 316 E HN 0.583 nan 8.360 nan 0.000 0.449 317 E N 0.789 120.987 120.200 -0.004 0.000 2.077 317 E HA -0.229 4.124 4.350 0.004 0.000 0.193 317 E C 2.174 178.747 176.600 -0.046 0.000 0.989 317 E CA 1.305 57.678 56.400 -0.045 0.000 0.800 317 E CB -0.213 29.461 29.700 -0.044 0.000 0.746 317 E HN 0.221 nan 8.360 nan 0.000 0.452 318 K N 1.577 122.004 120.400 0.045 0.000 2.032 318 K HA -0.257 4.065 4.320 0.004 0.000 0.209 318 K C 1.908 178.569 176.600 0.103 0.000 1.048 318 K CA 1.758 58.140 56.287 0.159 0.000 0.927 318 K CB -0.016 32.606 32.500 0.203 0.000 0.712 318 K HN 0.087 nan 8.250 nan 0.000 0.441 319 E N 0.512 120.748 120.200 0.060 0.000 2.051 319 E HA -0.185 4.167 4.350 0.004 0.000 0.192 319 E C 2.158 178.770 176.600 0.019 0.000 0.991 319 E CA 1.605 58.033 56.400 0.047 0.000 0.799 319 E CB -0.150 29.570 29.700 0.033 0.000 0.748 319 E HN 0.402 nan 8.360 nan 0.000 0.449 320 I N 0.967 121.528 120.570 -0.015 0.000 2.142 320 I HA -0.297 3.875 4.170 0.004 0.000 0.240 320 I C 2.412 178.472 176.117 -0.094 0.000 1.078 320 I CA 1.026 62.312 61.300 -0.024 0.000 1.343 320 I CB -0.240 37.724 38.000 -0.059 0.000 1.046 320 I HN 0.110 nan 8.210 nan 0.000 0.405 321 L N 0.433 121.512 121.223 -0.239 0.000 2.079 321 L HA -0.174 4.169 4.340 0.004 0.000 0.210 321 L C 2.666 179.337 176.870 -0.332 0.000 1.081 321 L CA 1.616 56.186 54.840 -0.450 0.000 0.752 321 L CB -1.133 40.373 42.059 -0.921 0.000 0.896 321 L HN 0.349 nan 8.230 nan 0.000 0.433 322 G N -0.072 108.643 108.800 -0.141 0.000 2.421 322 G HA2 -0.232 3.730 3.960 0.004 0.000 0.216 322 G HA3 -0.232 3.730 3.960 0.004 0.000 0.216 322 G C 1.683 176.622 174.900 0.065 0.000 1.171 322 G CA 0.565 45.701 45.100 0.059 0.000 0.775 322 G HN 0.308 nan 8.290 nan 0.000 0.543 323 K N -0.108 120.340 120.400 0.081 0.000 2.057 323 K HA 0.087 4.409 4.320 0.004 0.000 0.206 323 K C 2.443 179.126 176.600 0.138 0.000 1.050 323 K CA 0.787 57.174 56.287 0.167 0.000 0.935 323 K CB -0.230 32.429 32.500 0.264 0.000 0.715 323 K HN 0.299 nan 8.250 nan 0.000 0.439 324 I N 1.216 121.819 120.570 0.056 0.000 2.163 324 I HA -0.298 3.874 4.170 0.004 0.000 0.243 324 I C 2.271 178.392 176.117 0.007 0.000 1.085 324 I CA 1.370 62.657 61.300 -0.020 0.000 1.347 324 I CB -0.228 37.717 38.000 -0.092 0.000 1.044 324 I HN 0.142 nan 8.210 nan 0.000 0.408 325 I N 0.323 120.898 120.570 0.009 0.000 2.315 325 I HA -0.283 3.890 4.170 0.004 0.000 0.248 325 I C 2.554 178.746 176.117 0.124 0.000 1.117 325 I CA 1.260 62.626 61.300 0.110 0.000 1.404 325 I CB -0.384 37.686 38.000 0.116 0.000 1.071 325 I HN 0.311 nan 8.210 nan 0.000 0.419 326 E N 1.111 121.370 120.200 0.098 0.000 2.051 326 E HA -0.246 4.107 4.350 0.004 0.000 0.192 326 E C 2.240 178.886 176.600 0.076 0.000 0.991 326 E CA 1.308 57.764 56.400 0.095 0.000 0.799 326 E CB 0.099 29.860 29.700 0.103 0.000 0.748 326 E HN 0.238 nan 8.360 nan 0.000 0.449 327 L N 0.823 122.079 121.223 0.054 0.000 2.012 327 L HA -0.209 4.133 4.340 0.004 0.000 0.210 327 L C 2.328 179.219 176.870 0.035 0.000 1.073 327 L CA 1.543 56.390 54.840 0.012 0.000 0.748 327 L CB -0.597 41.407 42.059 -0.091 0.000 0.891 327 L HN 0.272 nan 8.230 nan 0.000 0.431 328 I N -0.787 119.824 120.570 0.068 0.000 2.179 328 I HA -0.288 3.884 4.170 0.004 0.000 0.242 328 I C 2.101 178.261 176.117 0.073 0.000 1.088 328 I CA 1.222 62.581 61.300 0.097 0.000 1.357 328 I CB -0.436 37.668 38.000 0.173 0.000 1.051 328 I HN 0.267 nan 8.210 nan 0.000 0.409 329 D N 0.844 121.292 120.400 0.081 0.000 2.117 329 D HA -0.136 4.507 4.640 0.004 0.000 0.198 329 D C 1.733 178.057 176.300 0.040 0.000 0.982 329 D CA 1.123 55.158 54.000 0.058 0.000 0.828 329 D CB -0.456 40.388 40.800 0.073 0.000 0.967 329 D HN 0.287 nan 8.370 nan 0.000 0.464 330 N N 0.904 119.630 118.700 0.043 0.000 2.571 330 N HA -0.042 4.701 4.740 0.004 0.000 0.189 330 N C 0.457 175.979 175.510 0.020 0.000 1.154 330 N CA 0.372 53.441 53.050 0.032 0.000 0.907 330 N CB 0.029 38.539 38.487 0.038 0.000 0.977 330 N HN 0.264 nan 8.380 nan 0.000 0.449 331 N N 0.722 119.432 118.700 0.018 0.000 2.291 331 N HA 0.011 4.754 4.740 0.004 0.000 0.244 331 N C -0.987 174.522 175.510 -0.002 0.000 1.216 331 N CA -0.122 52.929 53.050 0.003 0.000 0.879 331 N CB 0.871 39.355 38.487 -0.004 0.000 1.167 331 N HN -0.089 nan 8.380 nan 0.000 0.515 332 D N -0.117 120.286 120.400 0.004 0.000 2.697 332 D HA -0.172 4.471 4.640 0.004 0.000 0.235 332 D C 0.038 176.337 176.300 -0.001 0.000 1.167 332 D CA 0.501 54.499 54.000 -0.003 0.000 0.656 332 D CB -1.583 39.211 40.800 -0.010 0.000 1.025 332 D HN 0.343 nan 8.370 nan 0.000 0.419 333 C N 0.302 119.612 119.300 0.018 0.000 3.000 333 C HA 0.139 4.602 4.460 0.004 0.000 0.286 333 C C 1.140 176.146 174.990 0.027 0.000 1.343 333 C CA -0.510 58.537 59.018 0.048 0.000 1.742 333 C CB -0.467 27.342 27.740 0.115 0.000 2.200 333 C HN 0.273 nan 8.230 nan 0.000 0.621 334 R N 0.646 121.126 120.500 -0.034 0.000 2.537 334 R HA 0.389 4.731 4.340 0.004 0.000 0.280 334 R C 1.352 177.596 176.300 -0.095 0.000 1.058 334 R CA 1.196 57.217 56.100 -0.132 0.000 1.057 334 R CB 0.111 30.311 30.300 -0.166 0.000 0.973 334 R HN 0.519 nan 8.270 nan 0.000 0.438 335 G N 1.797 110.524 108.800 -0.120 0.000 2.194 335 G HA2 -0.236 3.726 3.960 0.004 0.000 0.236 335 G HA3 -0.236 3.726 3.960 0.004 0.000 0.236 335 G C 0.718 175.619 174.900 0.002 0.000 0.987 335 G CA -0.073 44.994 45.100 -0.055 0.000 0.635 335 G HN 0.505 nan 8.290 nan 0.000 0.520 336 K N -0.284 120.137 120.400 0.035 0.000 2.373 336 K HA 0.475 4.797 4.320 0.004 0.000 0.200 336 K C 0.477 177.132 176.600 0.092 0.000 1.054 336 K CA 0.505 56.858 56.287 0.111 0.000 1.065 336 K CB 1.667 34.293 32.500 0.210 0.000 0.886 336 K HN 0.408 nan 8.250 nan 0.000 0.546 337 V N 0.677 120.630 119.914 0.066 0.000 2.735 337 V HA 0.429 4.551 4.120 0.004 0.000 0.310 337 V C -0.519 175.675 176.094 0.167 0.000 1.061 337 V CA -0.946 61.396 62.300 0.069 0.000 0.913 337 V CB 2.087 33.990 31.823 0.134 0.000 1.005 337 V HN 0.024 nan 8.190 nan 0.000 0.428 338 S N 4.495 120.297 115.700 0.170 0.000 2.538 338 S HA 0.834 5.306 4.470 0.004 0.000 0.288 338 S C -0.987 173.700 174.600 0.145 0.000 1.108 338 S CA -0.615 57.747 58.200 0.270 0.000 0.971 338 S CB 1.202 64.586 63.200 0.307 0.000 1.041 338 S HN 0.675 nan 8.310 nan 0.000 0.483 339 M N 5.273 124.954 119.600 0.135 0.000 2.165 339 M HA 0.521 5.003 4.480 0.004 0.000 0.283 339 M C -1.476 174.738 176.300 -0.143 0.000 0.978 339 M CA -0.505 54.695 55.300 -0.168 0.000 0.948 339 M CB 1.502 33.930 32.600 -0.287 0.000 1.599 339 M HN 0.718 nan 8.290 nan 0.000 0.450 340 F N 2.080 121.865 119.950 -0.275 0.000 2.662 340 F HA 0.970 5.500 4.527 0.004 0.000 0.312 340 F C -3.146 172.421 175.800 -0.389 0.000 1.113 340 F CA -2.480 55.196 58.000 -0.540 0.000 0.951 340 F CB 0.772 39.061 39.000 -1.184 0.000 1.344 340 F HN 0.202 nan 8.300 nan 0.000 0.462 341 P HA 0.551 nan 4.420 nan 0.000 0.287 341 P C -1.517 175.891 177.300 0.179 0.000 1.270 341 P CA -0.409 62.696 63.100 0.009 0.000 0.844 341 P CB 2.753 34.467 31.700 0.024 0.000 1.068 342 L N 2.385 123.685 121.223 0.129 0.000 2.362 342 L HA 0.421 4.763 4.340 0.004 0.000 0.271 342 L C 1.257 178.182 176.870 0.093 0.000 1.002 342 L CA -0.431 54.501 54.840 0.154 0.000 0.818 342 L CB 1.703 43.835 42.059 0.122 0.000 1.298 342 L HN 0.313 nan 8.230 nan 0.000 0.420 343 N N 0.254 119.006 118.700 0.088 0.000 2.336 343 N HA 0.047 4.789 4.740 0.004 0.000 0.189 343 N C -0.266 175.272 175.510 0.047 0.000 1.113 343 N CA -0.043 53.045 53.050 0.064 0.000 0.858 343 N CB 0.515 39.039 38.487 0.062 0.000 0.970 343 N HN 0.669 nan 8.380 nan 0.000 0.471 344 S N -1.612 114.112 115.700 0.040 0.000 2.655 344 S HA 0.062 4.535 4.470 0.004 0.000 0.266 344 S C 0.198 174.804 174.600 0.010 0.000 1.149 344 S CA -0.857 57.361 58.200 0.030 0.000 0.818 344 S CB 1.834 65.047 63.200 0.021 0.000 1.130 344 S HN -0.006 nan 8.310 nan 0.000 0.476 345 Q N -0.129 119.678 119.800 0.011 0.000 2.119 345 Q HA -0.144 4.199 4.340 0.004 0.000 0.201 345 Q C 1.538 177.428 176.000 -0.184 0.000 0.972 345 Q CA 1.881 57.673 55.803 -0.018 0.000 0.847 345 Q CB -0.265 28.500 28.738 0.045 0.000 0.903 345 Q HN 0.687 nan 8.270 nan 0.000 0.433 346 Q N 0.598 120.316 119.800 -0.138 0.000 2.124 346 Q HA -0.150 4.193 4.340 0.004 0.000 0.202 346 Q C 1.650 177.579 176.000 -0.119 0.000 0.977 346 Q CA 1.617 57.323 55.803 -0.161 0.000 0.850 346 Q CB -0.028 28.663 28.738 -0.079 0.000 0.901 346 Q HN 0.458 nan 8.270 nan 0.000 0.429 347 E N -0.220 119.945 120.200 -0.058 0.000 2.106 347 E HA -0.154 4.199 4.350 0.004 0.000 0.192 347 E C 1.841 178.423 176.600 -0.031 0.000 0.984 347 E CA 0.721 57.114 56.400 -0.012 0.000 0.806 347 E CB -0.142 29.579 29.700 0.035 0.000 0.750 347 E HN 0.195 nan 8.360 nan 0.000 0.458 348 L N 1.197 122.364 121.223 -0.093 0.000 2.017 348 L HA -0.134 4.208 4.340 0.004 0.000 0.208 348 L C 2.262 178.940 176.870 -0.319 0.000 1.073 348 L CA 2.064 56.775 54.840 -0.215 0.000 0.745 348 L CB -0.627 41.319 42.059 -0.188 0.000 0.894 348 L HN 0.010 nan 8.230 nan 0.000 0.432 349 A N -0.560 122.090 122.820 -0.283 0.000 1.908 349 A HA -0.095 4.228 4.320 0.004 0.000 0.218 349 A C 2.333 179.942 177.584 0.041 0.000 1.181 349 A CA 1.667 53.580 52.037 -0.207 0.000 0.627 349 A CB -1.616 16.961 19.000 -0.705 0.000 0.818 349 A HN 0.547 nan 8.150 nan 0.000 0.445 350 G N -1.247 107.564 108.800 0.019 0.000 2.402 350 G HA2 -0.279 3.683 3.960 0.004 0.000 0.216 350 G HA3 -0.279 3.683 3.960 0.004 0.000 0.216 350 G C 1.770 176.787 174.900 0.194 0.000 1.162 350 G CA 1.214 46.401 45.100 0.144 0.000 0.777 350 G HN 0.592 nan 8.290 nan 0.000 0.539 351 C N -0.346 119.044 119.300 0.149 0.000 2.413 351 C HA -0.063 4.400 4.460 0.004 0.000 0.276 351 C C 2.483 177.681 174.990 0.346 0.000 1.236 351 C CA 0.973 60.133 59.018 0.237 0.000 1.735 351 C CB -1.123 26.753 27.740 0.227 0.000 2.031 351 C HN 0.504 nan 8.230 nan 0.000 0.474 352 Y N 1.567 122.002 120.300 0.225 0.000 2.097 352 Y HA -0.085 4.468 4.550 0.004 0.000 0.282 352 Y C 2.820 178.833 175.900 0.188 0.000 1.152 352 Y CA 1.389 59.614 58.100 0.207 0.000 1.136 352 Y CB -1.647 36.942 38.460 0.215 0.000 0.975 352 Y HN 0.410 nan 8.280 nan 0.000 0.498 353 A N -0.750 122.309 122.820 0.398 0.000 1.908 353 A HA -0.271 4.051 4.320 0.004 0.000 0.218 353 A C 2.194 179.930 177.584 0.253 0.000 1.181 353 A CA 1.805 54.060 52.037 0.364 0.000 0.627 353 A CB -1.444 17.825 19.000 0.448 0.000 0.818 353 A HN 0.546 nan 8.150 nan 0.000 0.445 354 Y N 0.586 120.818 120.300 -0.113 0.000 2.145 354 Y HA -0.135 4.417 4.550 0.004 0.000 0.286 354 Y C 1.919 177.715 175.900 -0.174 0.000 1.145 354 Y CA 1.775 59.497 58.100 -0.630 0.000 1.148 354 Y CB -0.394 37.660 38.460 -0.676 0.000 0.981 354 Y HN 0.204 nan 8.280 nan 0.000 0.507 355 L N -0.224 120.902 121.223 -0.161 0.000 2.141 355 L HA -0.172 4.171 4.340 0.004 0.000 0.209 355 L C 2.739 179.594 176.870 -0.025 0.000 1.094 355 L CA 1.022 55.778 54.840 -0.140 0.000 0.763 355 L CB -1.015 41.121 42.059 0.127 0.000 0.908 355 L HN 0.344 nan 8.230 nan 0.000 0.437 356 A N 0.289 123.173 122.820 0.107 0.000 1.972 356 A HA -0.206 4.117 4.320 0.004 0.000 0.219 356 A C 2.510 180.222 177.584 0.214 0.000 1.169 356 A CA 1.821 54.007 52.037 0.249 0.000 0.635 356 A CB -0.582 18.573 19.000 0.258 0.000 0.810 356 A HN 0.518 nan 8.150 nan 0.000 0.446 357 S N -0.652 115.093 115.700 0.074 0.000 2.474 357 S HA -0.052 4.421 4.470 0.004 0.000 0.235 357 S C 1.317 175.874 174.600 -0.071 0.000 0.997 357 S CA 1.082 59.320 58.200 0.064 0.000 0.949 357 S CB -0.116 63.154 63.200 0.116 0.000 0.766 357 S HN 0.437 nan 8.310 nan 0.000 0.517 358 K N 0.846 121.139 120.400 -0.177 0.000 2.387 358 K HA 0.290 4.612 4.320 0.004 0.000 0.198 358 K C 1.192 177.672 176.600 -0.200 0.000 1.022 358 K CA 0.526 56.692 56.287 -0.202 0.000 1.128 358 K CB -0.136 32.203 32.500 -0.269 0.000 0.853 358 K HN 0.564 nan 8.250 nan 0.000 0.523 359 G N 1.682 110.335 108.800 -0.245 0.000 2.149 359 G HA2 -0.249 3.714 3.960 0.004 0.000 0.235 359 G HA3 -0.249 3.714 3.960 0.004 0.000 0.235 359 G C 0.086 174.889 174.900 -0.163 0.000 1.018 359 G CA 0.327 45.023 45.100 -0.674 0.000 0.728 359 G HN 0.266 nan 8.290 nan 0.000 0.508 360 S N -1.437 114.386 115.700 0.205 0.000 2.634 360 S HA 0.762 5.235 4.470 0.004 0.000 0.261 360 S C 0.604 175.485 174.600 0.468 0.000 1.271 360 S CA 0.114 58.527 58.200 0.355 0.000 0.985 360 S CB 2.029 65.367 63.200 0.229 0.000 0.968 360 S HN 1.690 nan 8.310 nan 0.000 0.568 361 V N -0.549 119.527 119.914 0.271 0.000 3.007 361 V HA 0.785 4.908 4.120 0.004 0.000 0.311 361 V C -1.083 175.052 176.094 0.068 0.000 1.120 361 V CA -1.136 61.215 62.300 0.085 0.000 0.980 361 V CB 1.523 33.220 31.823 -0.210 0.000 1.033 361 V HN 0.710 nan 8.190 nan 0.000 0.429 362 F N 3.032 122.887 119.950 -0.159 0.000 2.404 362 F HA 0.889 5.419 4.527 0.004 0.000 0.339 362 F C 0.213 175.905 175.800 -0.180 0.000 1.105 362 F CA -0.036 57.843 58.000 -0.202 0.000 1.087 362 F CB 1.153 39.951 39.000 -0.337 0.000 1.143 362 F HN 1.044 nan 8.300 nan 0.000 0.491 363 A N 6.095 128.359 122.820 -0.926 0.000 2.365 363 A HA 0.791 5.114 4.320 0.004 0.000 0.318 363 A C -2.206 174.700 177.584 -1.130 0.000 1.091 363 A CA -0.677 50.886 52.037 -0.789 0.000 0.763 363 A CB 1.501 20.247 19.000 -0.424 0.000 1.248 363 A HN 0.832 nan 8.150 nan 0.000 0.442 364 L N 2.640 123.426 121.223 -0.728 0.000 2.555 364 L HA 0.528 4.871 4.340 0.004 0.000 0.264 364 L C 0.564 177.228 176.870 -0.344 0.000 0.972 364 L CA 0.320 54.845 54.840 -0.525 0.000 0.876 364 L CB 1.817 43.681 42.059 -0.324 0.000 1.216 364 L HN 0.769 nan 8.230 nan 0.000 0.415 365 T N -1.304 113.038 114.554 -0.352 0.000 3.214 365 T HA 0.276 4.628 4.350 0.004 0.000 0.264 365 T C 0.584 175.061 174.700 -0.372 0.000 1.012 365 T CA -0.214 61.700 62.100 -0.310 0.000 0.901 365 T CB -0.300 68.393 68.868 -0.292 0.000 1.070 365 T HN 0.479 nan 8.240 nan 0.000 0.561 366 S N 1.379 116.886 115.700 -0.322 0.000 2.558 366 S HA 0.198 4.671 4.470 0.004 0.000 0.287 366 S C 0.653 175.101 174.600 -0.254 0.000 1.321 366 S CA -0.439 57.577 58.200 -0.307 0.000 1.048 366 S CB -0.028 63.074 63.200 -0.163 0.000 0.844 366 S HN 0.404 nan 8.310 nan 0.000 0.512 367 F N 0.321 120.292 119.950 0.035 0.000 2.171 367 F HA 0.018 4.547 4.527 0.004 0.000 0.300 367 F C 0.878 176.764 175.800 0.142 0.000 1.090 367 F CA 0.964 59.007 58.000 0.072 0.000 1.293 367 F CB -0.011 39.035 39.000 0.077 0.000 1.013 367 F HN 0.588 nan 8.300 nan 0.000 0.486 368 Y N -0.238 120.159 120.300 0.163 0.000 2.513 368 Y HA 0.529 5.081 4.550 0.004 0.000 0.340 368 Y C -1.580 174.359 175.900 0.065 0.000 1.055 368 Y CA -1.818 56.343 58.100 0.100 0.000 1.020 368 Y CB 1.494 40.017 38.460 0.105 0.000 1.301 368 Y HN -0.230 nan 8.280 nan 0.000 0.453 369 E N 7.139 126.723 120.200 -1.027 0.000 2.255 369 E HA 0.428 4.780 4.350 0.004 0.000 0.256 369 E C -2.317 173.657 176.600 -1.042 0.000 0.887 369 E CA -2.841 53.114 56.400 -0.742 0.000 0.782 369 E CB 1.959 31.451 29.700 -0.347 0.000 1.214 369 E HN 0.396 nan 8.360 nan 0.000 0.417 370 P HA -0.079 nan 4.420 nan 0.000 0.227 370 P C -0.295 177.072 177.300 0.111 0.000 1.145 370 P CA 0.526 63.566 63.100 -0.100 0.000 0.769 370 P CB -0.142 31.635 31.700 0.128 0.000 0.769 371 F N -1.667 118.176 119.950 -0.179 0.000 2.163 371 F HA 0.122 4.651 4.527 0.004 0.000 0.528 371 F C -0.730 175.010 175.800 -0.100 0.000 1.297 371 F CA 0.002 57.931 58.000 -0.119 0.000 1.691 371 F CB -1.169 37.800 39.000 -0.052 0.000 2.708 371 F HN 0.189 nan 8.300 nan 0.000 0.723 372 G N 4.563 112.859 108.800 -0.840 0.000 2.766 372 G HA2 0.609 4.572 3.960 0.004 0.000 0.288 372 G HA3 0.609 4.572 3.960 0.004 0.000 0.288 372 G C -0.347 174.093 174.900 -0.767 0.000 1.408 372 G CA -0.630 44.020 45.100 -0.751 0.000 0.852 372 G HN 0.777 nan 8.290 nan 0.000 0.487 373 L N 1.003 121.898 121.223 -0.547 0.000 2.611 373 L HA 0.192 4.534 4.340 0.004 0.000 0.229 373 L C 2.666 179.279 176.870 -0.429 0.000 1.137 373 L CA 0.500 55.044 54.840 -0.494 0.000 0.901 373 L CB 0.014 41.834 42.059 -0.399 0.000 1.098 373 L HN 0.637 nan 8.230 nan 0.000 0.456 374 A N 1.593 124.207 122.820 -0.344 0.000 1.892 374 A HA -0.130 4.192 4.320 0.004 0.000 0.218 374 A C -0.100 177.193 177.584 -0.485 0.000 1.188 374 A CA 1.740 53.600 52.037 -0.295 0.000 0.631 374 A CB -1.513 17.433 19.000 -0.090 0.000 0.822 374 A HN 0.288 nan 8.150 nan 0.000 0.447 375 P HA -0.058 nan 4.420 nan 0.000 0.217 375 P C 1.586 178.569 177.300 -0.530 0.000 1.151 375 P CA 1.073 63.892 63.100 -0.468 0.000 0.828 375 P CB -0.112 31.472 31.700 -0.193 0.000 0.788 376 V N 0.495 120.126 119.914 -0.471 0.000 2.343 376 V HA -0.263 3.859 4.120 0.004 0.000 0.247 376 V C 2.235 178.074 176.094 -0.426 0.000 1.051 376 V CA 1.885 63.934 62.300 -0.419 0.000 1.036 376 V CB -1.250 30.305 31.823 -0.446 0.000 0.654 376 V HN 0.203 nan 8.190 nan 0.000 0.451 377 E N 0.480 120.332 120.200 -0.579 0.000 2.085 377 E HA -0.218 4.135 4.350 0.004 0.000 0.194 377 E C 2.326 178.632 176.600 -0.490 0.000 0.994 377 E CA 1.397 57.318 56.400 -0.799 0.000 0.801 377 E CB -0.360 28.541 29.700 -1.333 0.000 0.743 377 E HN 0.619 nan 8.360 nan 0.000 0.453 378 A N 1.103 123.496 122.820 -0.711 0.000 1.873 378 A HA -0.174 4.148 4.320 0.004 0.000 0.215 378 A C 2.186 179.490 177.584 -0.466 0.000 1.186 378 A CA 1.373 52.855 52.037 -0.926 0.000 0.616 378 A CB -0.460 17.525 19.000 -1.691 0.000 0.823 378 A HN 0.108 nan 8.150 nan 0.000 0.442 379 M N -0.236 119.128 119.600 -0.394 0.000 2.080 379 M HA -0.163 4.320 4.480 0.004 0.000 0.260 379 M C 2.468 178.695 176.300 -0.122 0.000 1.068 379 M CA 1.618 56.786 55.300 -0.221 0.000 1.109 379 M CB -0.432 32.057 32.600 -0.185 0.000 1.342 379 M HN 0.448 nan 8.290 nan 0.000 0.405 380 A N -0.584 122.175 122.820 -0.101 0.000 1.972 380 A HA -0.127 4.195 4.320 0.004 0.000 0.219 380 A C 2.200 179.834 177.584 0.083 0.000 1.169 380 A CA 1.999 54.040 52.037 0.006 0.000 0.635 380 A CB -0.720 18.303 19.000 0.038 0.000 0.810 380 A HN 0.470 nan 8.150 nan 0.000 0.446 381 S N -1.703 114.062 115.700 0.108 0.000 2.607 381 S HA 0.335 4.807 4.470 0.004 0.000 0.224 381 S C 1.382 176.064 174.600 0.136 0.000 0.969 381 S CA 0.875 59.198 58.200 0.206 0.000 0.927 381 S CB 0.037 63.455 63.200 0.363 0.000 0.772 381 S HN 1.627 nan 8.310 nan 0.000 0.533 382 G N 0.917 109.742 108.800 0.041 0.000 2.159 382 G HA2 -0.196 3.766 3.960 0.004 0.000 0.227 382 G HA3 -0.196 3.766 3.960 0.004 0.000 0.227 382 G C -0.137 174.740 174.900 -0.037 0.000 0.986 382 G CA -0.451 44.661 45.100 0.020 0.000 0.651 382 G HN 0.427 nan 8.290 nan 0.000 0.523 383 L N 1.312 122.486 121.223 -0.082 0.000 2.275 383 L HA 0.452 4.794 4.340 0.004 0.000 0.288 383 L C -1.976 174.777 176.870 -0.194 0.000 1.046 383 L CA -2.191 52.590 54.840 -0.099 0.000 0.805 383 L CB 1.524 43.516 42.059 -0.111 0.000 1.193 383 L HN -0.145 nan 8.230 nan 0.000 0.426 384 P HA 0.078 nan 4.420 nan 0.000 0.269 384 P C -0.971 176.203 177.300 -0.209 0.000 1.209 384 P CA -0.084 62.822 63.100 -0.324 0.000 0.776 384 P CB 0.865 32.260 31.700 -0.508 0.000 0.876 385 A N 2.958 125.657 122.820 -0.203 0.000 2.288 385 A HA 0.529 4.852 4.320 0.004 0.000 0.320 385 A C -0.780 176.695 177.584 -0.182 0.000 1.217 385 A CA -0.478 51.509 52.037 -0.083 0.000 0.840 385 A CB 0.593 19.582 19.000 -0.018 0.000 1.179 385 A HN 0.339 nan 8.150 nan 0.000 0.504 386 V N 4.383 124.199 119.914 -0.163 0.000 2.326 386 V HA 0.530 4.652 4.120 0.004 0.000 0.281 386 V C -0.091 175.891 176.094 -0.188 0.000 1.015 386 V CA -0.271 61.906 62.300 -0.206 0.000 0.823 386 V CB 0.786 32.478 31.823 -0.217 0.000 1.009 386 V HN 1.057 nan 8.190 nan 0.000 0.436 387 V N 1.613 121.444 119.914 -0.138 0.000 3.130 387 V HA 0.710 4.833 4.120 0.004 0.000 0.310 387 V C 0.099 176.135 176.094 -0.096 0.000 1.158 387 V CA -0.741 61.484 62.300 -0.125 0.000 1.029 387 V CB 1.893 33.682 31.823 -0.056 0.000 1.057 387 V HN 0.657 nan 8.190 nan 0.000 0.436 388 T N 1.709 116.201 114.554 -0.102 0.000 2.933 388 T HA 0.101 4.454 4.350 0.004 0.000 0.306 388 T C 1.284 175.971 174.700 -0.022 0.000 1.045 388 T CA 0.827 62.888 62.100 -0.065 0.000 1.143 388 T CB 0.220 69.044 68.868 -0.073 0.000 1.003 388 T HN 1.077 nan 8.240 nan 0.000 0.540 389 R N 3.071 123.574 120.500 0.006 0.000 2.313 389 R HA 0.113 4.456 4.340 0.004 0.000 0.199 389 R C -0.185 176.153 176.300 0.063 0.000 0.958 389 R CA -0.011 56.105 56.100 0.028 0.000 1.047 389 R CB -0.040 30.276 30.300 0.028 0.000 0.955 389 R HN 0.373 nan 8.270 nan 0.000 0.481 390 N N 1.578 120.332 118.700 0.090 0.000 2.457 390 N HA 0.334 5.077 4.740 0.004 0.000 0.250 390 N C 0.156 175.788 175.510 0.203 0.000 0.982 390 N CA 0.796 53.956 53.050 0.184 0.000 0.941 390 N CB 1.692 40.336 38.487 0.261 0.000 1.120 390 N HN 0.447 nan 8.380 nan 0.000 0.505 391 G N 1.292 110.235 108.800 0.239 0.000 2.428 391 G HA2 -0.197 3.765 3.960 0.004 0.000 0.202 391 G HA3 -0.197 3.765 3.960 0.004 0.000 0.202 391 G C 0.874 175.817 174.900 0.073 0.000 1.247 391 G CA -0.164 45.041 45.100 0.174 0.000 1.020 391 G HN 0.544 nan 8.290 nan 0.000 0.529 392 G N 0.688 109.510 108.800 0.038 0.000 2.505 392 G HA2 -0.011 3.952 3.960 0.004 0.000 0.220 392 G HA3 -0.011 3.952 3.960 0.004 0.000 0.220 392 G C 0.161 175.149 174.900 0.146 0.000 1.145 392 G CA 2.455 47.685 45.100 0.216 0.000 0.761 392 G HN 0.703 nan 8.290 nan 0.000 0.571 393 P HA -0.048 nan 4.420 nan 0.000 0.218 393 P C 2.151 179.472 177.300 0.035 0.000 1.148 393 P CA 1.834 64.935 63.100 0.003 0.000 0.822 393 P CB -0.123 31.558 31.700 -0.033 0.000 0.784 394 A N -0.217 122.631 122.820 0.047 0.000 1.902 394 A HA -0.238 4.084 4.320 0.004 0.000 0.217 394 A C 2.333 179.966 177.584 0.080 0.000 1.181 394 A CA 1.628 53.700 52.037 0.058 0.000 0.623 394 A CB -1.191 17.846 19.000 0.060 0.000 0.818 394 A HN 0.173 nan 8.150 nan 0.000 0.443 395 E N -0.213 120.038 120.200 0.086 0.000 2.072 395 E HA -0.145 4.208 4.350 0.004 0.000 0.191 395 E C 1.906 178.597 176.600 0.152 0.000 0.985 395 E CA 1.126 57.580 56.400 0.091 0.000 0.801 395 E CB -0.192 29.526 29.700 0.029 0.000 0.750 395 E HN 0.661 nan 8.360 nan 0.000 0.452 396 I N 0.985 121.637 120.570 0.137 0.000 2.208 396 I HA -0.278 3.895 4.170 0.004 0.000 0.245 396 I C 2.024 178.255 176.117 0.190 0.000 1.097 396 I CA 0.985 62.352 61.300 0.111 0.000 1.363 396 I CB -0.050 37.891 38.000 -0.098 0.000 1.051 396 I HN 0.180 nan 8.210 nan 0.000 0.413 397 L N -0.124 121.204 121.223 0.175 0.000 2.592 397 L HA 0.072 4.414 4.340 0.004 0.000 0.227 397 L C 0.211 177.257 176.870 0.293 0.000 1.127 397 L CA -0.050 54.946 54.840 0.259 0.000 0.884 397 L CB -0.463 41.671 42.059 0.124 0.000 1.065 397 L HN 0.237 nan 8.230 nan 0.000 0.457 398 D N 1.824 122.379 120.400 0.258 0.000 2.735 398 D HA -0.193 4.449 4.640 0.004 0.000 0.235 398 D C 1.226 177.570 176.300 0.072 0.000 1.175 398 D CA 0.988 55.097 54.000 0.181 0.000 0.683 398 D CB -0.941 40.023 40.800 0.273 0.000 1.008 398 D HN 0.628 nan 8.370 nan 0.000 0.416 399 G N -0.511 108.326 108.800 0.063 0.000 2.166 399 G HA2 -0.001 3.961 3.960 0.004 0.000 0.260 399 G HA3 -0.001 3.961 3.960 0.004 0.000 0.260 399 G C 1.330 176.241 174.900 0.017 0.000 0.986 399 G CA 0.882 46.002 45.100 0.032 0.000 0.683 399 G HN 1.786 nan 8.290 nan 0.000 0.527 400 G N -0.905 107.908 108.800 0.023 0.000 2.192 400 G HA2 -0.203 3.759 3.960 0.004 0.000 0.193 400 G HA3 -0.203 3.759 3.960 0.004 0.000 0.193 400 G C 0.916 175.819 174.900 0.006 0.000 0.999 400 G CA 1.096 46.209 45.100 0.023 0.000 0.659 400 G HN 1.029 nan 8.290 nan 0.000 0.503 401 K N -0.539 119.793 120.400 -0.114 0.000 2.097 401 K HA 0.043 4.366 4.320 0.004 0.000 0.205 401 K C 1.446 177.794 176.600 -0.420 0.000 1.050 401 K CA 1.488 57.565 56.287 -0.350 0.000 0.938 401 K CB -0.113 32.010 32.500 -0.629 0.000 0.718 401 K HN 0.472 nan 8.250 nan 0.000 0.442 402 Y N -0.821 119.543 120.300 0.107 0.000 2.507 402 Y HA 0.350 4.902 4.550 0.004 0.000 0.254 402 Y C 0.717 176.706 175.900 0.148 0.000 1.171 402 Y CA -0.009 58.162 58.100 0.119 0.000 1.238 402 Y CB 1.505 40.009 38.460 0.073 0.000 1.148 402 Y HN 0.128 nan 8.280 nan 0.000 0.525 403 G N -1.028 107.896 108.800 0.206 0.000 2.340 403 G HA2 0.412 4.374 3.960 0.004 0.000 0.299 403 G HA3 0.412 4.374 3.960 0.004 0.000 0.299 403 G C -2.014 172.712 174.900 -0.290 0.000 1.291 403 G CA -0.829 44.170 45.100 -0.169 0.000 0.841 403 G HN -0.234 nan 8.290 nan 0.000 0.500 404 V N 0.838 120.468 119.914 -0.472 0.000 2.439 404 V HA 0.577 4.699 4.120 0.004 0.000 0.282 404 V C 0.216 176.220 176.094 -0.151 0.000 1.039 404 V CA -0.469 61.655 62.300 -0.294 0.000 0.913 404 V CB 1.102 32.715 31.823 -0.349 0.000 0.983 404 V HN 0.561 nan 8.190 nan 0.000 0.460 405 L N 5.627 126.802 121.223 -0.079 0.000 2.325 405 L HA 0.819 5.162 4.340 0.004 0.000 0.278 405 L C -0.369 176.477 176.870 -0.041 0.000 1.023 405 L CA -0.748 54.062 54.840 -0.049 0.000 0.811 405 L CB 1.972 44.022 42.059 -0.015 0.000 1.249 405 L HN 0.622 nan 8.230 nan 0.000 0.431 406 V N -1.776 118.114 119.914 -0.041 0.000 3.078 406 V HA 0.503 4.626 4.120 0.004 0.000 0.311 406 V C -0.999 175.088 176.094 -0.010 0.000 1.138 406 V CA -0.912 61.371 62.300 -0.029 0.000 1.007 406 V CB 2.196 33.991 31.823 -0.047 0.000 1.045 406 V HN 0.675 nan 8.190 nan 0.000 0.432 407 D N 4.016 124.420 120.400 0.007 0.000 2.336 407 D HA 0.386 5.028 4.640 0.004 0.000 0.249 407 D C -1.185 175.134 176.300 0.030 0.000 1.213 407 D CA -2.126 51.893 54.000 0.031 0.000 0.870 407 D CB 1.843 42.667 40.800 0.039 0.000 1.076 407 D HN 0.468 nan 8.370 nan 0.000 0.483 408 P HA -0.133 nan 4.420 nan 0.000 0.222 408 P C 0.438 177.794 177.300 0.093 0.000 1.147 408 P CA 0.970 64.069 63.100 -0.002 0.000 0.790 408 P CB 0.398 32.075 31.700 -0.038 0.000 0.780 409 E N -0.717 119.588 120.200 0.176 0.000 2.478 409 E HA -0.012 4.341 4.350 0.004 0.000 0.194 409 E C 0.296 176.978 176.600 0.137 0.000 1.045 409 E CA 0.094 56.626 56.400 0.220 0.000 0.868 409 E CB -0.017 29.795 29.700 0.187 0.000 0.885 409 E HN 0.135 nan 8.360 nan 0.000 0.505 410 D N 0.612 121.067 120.400 0.090 0.000 2.464 410 D HA 0.081 4.724 4.640 0.004 0.000 0.243 410 D C -1.723 174.606 176.300 0.049 0.000 1.104 410 D CA -2.594 51.445 54.000 0.066 0.000 0.883 410 D CB 1.246 42.075 40.800 0.049 0.000 1.050 410 D HN -0.162 nan 8.370 nan 0.000 0.524 411 P HA -0.166 nan 4.420 nan 0.000 0.217 411 P C 0.836 178.151 177.300 0.025 0.000 1.148 411 P CA 1.016 64.138 63.100 0.037 0.000 0.828 411 P CB 0.602 32.329 31.700 0.045 0.000 0.783 412 E N -0.389 119.828 120.200 0.027 0.000 2.208 412 E HA -0.164 4.189 4.350 0.004 0.000 0.193 412 E C 1.715 178.326 176.600 0.019 0.000 0.988 412 E CA 0.907 57.319 56.400 0.020 0.000 0.828 412 E CB -0.335 29.377 29.700 0.020 0.000 0.763 412 E HN 0.270 nan 8.360 nan 0.000 0.478 413 D N 0.720 121.132 120.400 0.020 0.000 2.162 413 D HA -0.055 4.587 4.640 0.004 0.000 0.203 413 D C 1.847 178.151 176.300 0.006 0.000 0.967 413 D CA 0.596 54.605 54.000 0.015 0.000 0.840 413 D CB 0.094 40.904 40.800 0.017 0.000 0.972 413 D HN 0.047 nan 8.370 nan 0.000 0.482 414 I N 0.498 121.069 120.570 0.002 0.000 2.208 414 I HA -0.264 3.908 4.170 0.004 0.000 0.245 414 I C 2.415 178.535 176.117 0.004 0.000 1.097 414 I CA 1.140 62.431 61.300 -0.014 0.000 1.363 414 I CB -0.298 37.688 38.000 -0.023 0.000 1.051 414 I HN 0.046 nan 8.210 nan 0.000 0.413 415 A N 0.637 123.470 122.820 0.021 0.000 1.902 415 A HA -0.193 4.129 4.320 0.004 0.000 0.217 415 A C 2.407 180.018 177.584 0.045 0.000 1.181 415 A CA 1.391 53.452 52.037 0.040 0.000 0.623 415 A CB -0.540 18.475 19.000 0.026 0.000 0.818 415 A HN 0.296 nan 8.150 nan 0.000 0.443 416 R N -0.962 119.556 120.500 0.031 0.000 2.081 416 R HA -0.116 4.226 4.340 0.004 0.000 0.235 416 R C 2.402 178.721 176.300 0.032 0.000 1.131 416 R CA 1.192 57.312 56.100 0.034 0.000 0.960 416 R CB -0.619 29.696 30.300 0.025 0.000 0.856 416 R HN 0.545 nan 8.270 nan 0.000 0.436 417 G N 0.910 109.715 108.800 0.008 0.000 2.418 417 G HA2 -0.223 3.740 3.960 0.004 0.000 0.217 417 G HA3 -0.223 3.740 3.960 0.004 0.000 0.217 417 G C 1.432 176.313 174.900 -0.033 0.000 1.158 417 G CA 0.426 45.512 45.100 -0.024 0.000 0.771 417 G HN 0.136 nan 8.290 nan 0.000 0.545 418 L N -0.224 121.001 121.223 0.004 0.000 2.056 418 L HA 0.047 4.389 4.340 0.004 0.000 0.207 418 L C 2.873 179.836 176.870 0.154 0.000 1.078 418 L CA 0.457 55.321 54.840 0.041 0.000 0.749 418 L CB -0.343 41.798 42.059 0.137 0.000 0.901 418 L HN 0.168 nan 8.230 nan 0.000 0.433 419 L N -0.164 121.159 121.223 0.167 0.000 2.131 419 L HA -0.227 4.115 4.340 0.004 0.000 0.210 419 L C 2.711 179.686 176.870 0.175 0.000 1.092 419 L CA 1.200 56.164 54.840 0.206 0.000 0.759 419 L CB -0.401 41.734 42.059 0.126 0.000 0.903 419 L HN 0.261 nan 8.230 nan 0.000 0.435 420 K N 0.425 120.889 120.400 0.106 0.000 2.026 420 K HA -0.193 4.130 4.320 0.004 0.000 0.208 420 K C 2.129 178.814 176.600 0.141 0.000 1.048 420 K CA 1.388 57.742 56.287 0.113 0.000 0.929 420 K CB -0.116 32.433 32.500 0.082 0.000 0.713 420 K HN 0.255 nan 8.250 nan 0.000 0.439 421 A N 0.211 123.045 122.820 0.022 0.000 1.978 421 A HA -0.121 4.202 4.320 0.004 0.000 0.220 421 A C 1.596 179.235 177.584 0.092 0.000 1.170 421 A CA 1.231 53.252 52.037 -0.027 0.000 0.636 421 A CB -0.510 18.295 19.000 -0.325 0.000 0.810 421 A HN 0.373 nan 8.150 nan 0.000 0.448 422 F N 0.417 120.496 119.950 0.216 0.000 2.765 422 F HA 0.095 4.624 4.527 0.004 0.000 0.302 422 F C 2.091 177.966 175.800 0.125 0.000 1.111 422 F CA 0.248 58.350 58.000 0.170 0.000 1.359 422 F CB -0.213 38.843 39.000 0.094 0.000 1.097 422 F HN 0.563 nan 8.300 nan 0.000 0.577 423 E N 0.660 121.030 120.200 0.283 0.000 2.130 423 E HA -0.161 4.191 4.350 0.004 0.000 0.196 423 E C 0.479 177.174 176.600 0.158 0.000 0.998 423 E CA 1.329 57.842 56.400 0.189 0.000 0.806 423 E CB -0.178 29.610 29.700 0.148 0.000 0.738 423 E HN 0.314 nan 8.360 nan 0.000 0.459 424 S N -1.519 114.292 115.700 0.186 0.000 2.595 424 S HA 0.114 4.586 4.470 0.004 0.000 0.270 424 S C 0.368 175.081 174.600 0.189 0.000 1.145 424 S CA -0.550 57.738 58.200 0.146 0.000 0.825 424 S CB 1.609 64.871 63.200 0.104 0.000 1.107 424 S HN 0.068 nan 8.310 nan 0.000 0.461 425 E N 1.080 121.364 120.200 0.141 0.000 2.110 425 E HA -0.221 4.131 4.350 0.004 0.000 0.193 425 E C 1.485 178.213 176.600 0.213 0.000 0.988 425 E CA 2.052 58.554 56.400 0.169 0.000 0.804 425 E CB -0.239 29.518 29.700 0.096 0.000 0.745 425 E HN 0.848 nan 8.360 nan 0.000 0.458 426 E N -0.505 119.778 120.200 0.138 0.000 2.047 426 E HA -0.125 4.228 4.350 0.004 0.000 0.191 426 E C 1.928 178.578 176.600 0.083 0.000 0.987 426 E CA 1.876 58.334 56.400 0.097 0.000 0.799 426 E CB -0.067 29.665 29.700 0.053 0.000 0.752 426 E HN 0.135 nan 8.360 nan 0.000 0.449 427 T N -0.063 114.552 114.554 0.102 0.000 2.701 427 T HA -0.174 4.179 4.350 0.004 0.000 0.263 427 T C 1.078 175.860 174.700 0.136 0.000 1.040 427 T CA 1.321 63.452 62.100 0.052 0.000 1.147 427 T CB -0.588 68.351 68.868 0.118 0.000 0.865 427 T HN 0.454 nan 8.240 nan 0.000 0.426 428 W N 1.831 123.190 121.300 0.098 0.000 2.335 428 W HA -0.170 4.492 4.660 0.004 0.000 0.311 428 W C 2.546 179.126 176.519 0.101 0.000 1.213 428 W CA 1.450 58.872 57.345 0.127 0.000 1.274 428 W CB -0.394 29.128 29.460 0.104 0.000 1.148 428 W HN 0.106 nan 8.180 nan 0.000 0.498 429 S N 0.215 116.110 115.700 0.324 0.000 2.383 429 S HA -0.141 4.332 4.470 0.004 0.000 0.227 429 S C 1.981 176.547 174.600 -0.056 0.000 1.026 429 S CA 1.252 59.533 58.200 0.134 0.000 0.981 429 S CB -0.874 62.474 63.200 0.247 0.000 0.818 429 S HN 0.407 nan 8.310 nan 0.000 0.472 430 A N 0.686 123.465 122.820 -0.070 0.000 1.877 430 A HA -0.107 4.215 4.320 0.004 0.000 0.216 430 A C 1.891 179.361 177.584 -0.190 0.000 1.186 430 A CA 1.453 53.398 52.037 -0.154 0.000 0.620 430 A CB -0.959 17.892 19.000 -0.248 0.000 0.822 430 A HN 0.501 nan 8.150 nan 0.000 0.443 431 Y N -0.138 120.064 120.300 -0.163 0.000 2.181 431 Y HA -0.236 4.317 4.550 0.004 0.000 0.288 431 Y C 2.704 178.447 175.900 -0.262 0.000 1.146 431 Y CA 1.526 59.507 58.100 -0.199 0.000 1.164 431 Y CB -0.779 37.531 38.460 -0.251 0.000 0.982 431 Y HN 0.524 nan 8.280 nan 0.000 0.515 432 Q N 0.394 120.028 119.800 -0.277 0.000 2.045 432 Q HA -0.318 4.025 4.340 0.004 0.000 0.206 432 Q C 2.287 178.206 176.000 -0.136 0.000 0.991 432 Q CA 2.323 57.928 55.803 -0.329 0.000 0.851 432 Q CB -0.267 28.140 28.738 -0.553 0.000 0.911 432 Q HN 0.631 nan 8.270 nan 0.000 0.418 433 E N -0.024 120.120 120.200 -0.094 0.000 2.051 433 E HA -0.220 4.133 4.350 0.004 0.000 0.192 433 E C 1.938 178.541 176.600 0.006 0.000 0.991 433 E CA 1.334 57.716 56.400 -0.031 0.000 0.799 433 E CB 0.072 29.761 29.700 -0.017 0.000 0.748 433 E HN 0.288 nan 8.360 nan 0.000 0.449 434 K N -0.247 120.174 120.400 0.036 0.000 2.063 434 K HA -0.129 4.193 4.320 0.004 0.000 0.208 434 K C 2.206 178.894 176.600 0.147 0.000 1.048 434 K CA 1.156 57.534 56.287 0.152 0.000 0.928 434 K CB -0.360 32.263 32.500 0.206 0.000 0.713 434 K HN 0.242 nan 8.250 nan 0.000 0.442 435 G N 2.013 110.860 108.800 0.079 0.000 2.433 435 G HA2 -0.268 3.695 3.960 0.004 0.000 0.216 435 G HA3 -0.268 3.695 3.960 0.004 0.000 0.216 435 G C 1.328 176.208 174.900 -0.034 0.000 1.186 435 G CA 0.790 45.898 45.100 0.013 0.000 0.779 435 G HN 0.222 nan 8.290 nan 0.000 0.543 436 K N 0.157 120.538 120.400 -0.032 0.000 2.057 436 K HA -0.110 4.213 4.320 0.004 0.000 0.207 436 K C 2.755 179.339 176.600 -0.027 0.000 1.049 436 K CA 1.393 57.666 56.287 -0.024 0.000 0.931 436 K CB -0.225 32.268 32.500 -0.011 0.000 0.714 436 K HN 0.392 nan 8.250 nan 0.000 0.440 437 Q N 0.355 120.141 119.800 -0.024 0.000 2.084 437 Q HA -0.198 4.144 4.340 0.004 0.000 0.202 437 Q C 2.225 178.155 176.000 -0.117 0.000 0.978 437 Q CA 1.345 57.125 55.803 -0.038 0.000 0.844 437 Q CB -0.165 28.577 28.738 0.007 0.000 0.898 437 Q HN 0.117 nan 8.270 nan 0.000 0.426 438 R N 0.750 121.121 120.500 -0.216 0.000 2.091 438 R HA -0.139 4.204 4.340 0.004 0.000 0.238 438 R C 1.974 178.170 176.300 -0.172 0.000 1.136 438 R CA 1.458 57.312 56.100 -0.410 0.000 0.959 438 R CB -0.760 29.157 30.300 -0.638 0.000 0.856 438 R HN 0.107 nan 8.270 nan 0.000 0.437 439 V N 0.857 120.751 119.914 -0.034 0.000 2.261 439 V HA -0.230 3.892 4.120 0.004 0.000 0.246 439 V C 2.131 178.214 176.094 -0.018 0.000 1.047 439 V CA 2.330 64.672 62.300 0.070 0.000 1.015 439 V CB -0.559 31.281 31.823 0.029 0.000 0.642 439 V HN 0.430 nan 8.190 nan 0.000 0.446 440 E N -0.156 120.022 120.200 -0.036 0.000 2.118 440 E HA -0.258 4.095 4.350 0.004 0.000 0.195 440 E C 2.226 178.781 176.600 -0.075 0.000 0.992 440 E CA 1.636 58.015 56.400 -0.035 0.000 0.804 440 E CB -0.139 29.549 29.700 -0.019 0.000 0.741 440 E HN 0.699 nan 8.360 nan 0.000 0.458 441 E N -0.307 119.818 120.200 -0.125 0.000 2.152 441 E HA -0.106 4.246 4.350 0.004 0.000 0.192 441 E C 1.989 178.449 176.600 -0.233 0.000 0.983 441 E CA 0.616 56.923 56.400 -0.155 0.000 0.818 441 E CB 0.163 29.762 29.700 -0.168 0.000 0.758 441 E HN 0.031 nan 8.360 nan 0.000 0.467 442 R N -0.964 119.305 120.500 -0.385 0.000 2.591 442 R HA 0.066 4.408 4.340 0.004 0.000 0.288 442 R C 0.199 176.126 176.300 -0.620 0.000 0.947 442 R CA 0.038 55.796 56.100 -0.570 0.000 1.085 442 R CB 0.778 30.571 30.300 -0.844 0.000 1.618 442 R HN 0.080 nan 8.270 nan 0.000 0.524 443 Y N 0.846 121.091 120.300 -0.092 0.000 2.636 443 Y HA 0.240 4.793 4.550 0.004 0.000 0.260 443 Y C 0.473 176.272 175.900 -0.169 0.000 1.177 443 Y CA -0.241 57.788 58.100 -0.119 0.000 1.209 443 Y CB 0.834 39.224 38.460 -0.117 0.000 1.166 443 Y HN -0.066 nan 8.280 nan 0.000 0.531 444 T N -5.720 108.811 114.554 -0.040 0.000 2.936 444 T HA 0.125 4.478 4.350 0.004 0.000 0.282 444 T C 0.746 175.407 174.700 -0.065 0.000 1.003 444 T CA -0.720 61.351 62.100 -0.048 0.000 1.005 444 T CB 0.760 69.651 68.868 0.038 0.000 1.097 444 T HN 0.326 nan 8.240 nan 0.000 0.532 445 W N 0.230 121.540 121.300 0.017 0.000 2.465 445 W HA -0.025 4.638 4.660 0.004 0.000 0.268 445 W C 2.629 179.141 176.519 -0.012 0.000 1.242 445 W CA -0.027 57.307 57.345 -0.018 0.000 1.248 445 W CB -0.113 29.320 29.460 -0.045 0.000 1.118 445 W HN 0.614 nan 8.180 nan 0.000 0.587 446 Q N 0.233 120.152 119.800 0.199 0.000 2.124 446 Q HA -0.214 4.128 4.340 0.004 0.000 0.202 446 Q C 1.884 177.945 176.000 0.103 0.000 0.977 446 Q CA 1.508 57.388 55.803 0.127 0.000 0.850 446 Q CB -0.576 28.212 28.738 0.083 0.000 0.901 446 Q HN 0.306 nan 8.270 nan 0.000 0.429 447 E N 0.054 120.293 120.200 0.064 0.000 2.106 447 E HA -0.097 4.256 4.350 0.004 0.000 0.192 447 E C 1.801 178.455 176.600 0.091 0.000 0.984 447 E CA 1.513 57.934 56.400 0.036 0.000 0.806 447 E CB -0.104 29.573 29.700 -0.038 0.000 0.750 447 E HN 0.279 nan 8.360 nan 0.000 0.458 448 T N 0.079 114.711 114.554 0.130 0.000 2.708 448 T HA -0.123 4.229 4.350 0.004 0.000 0.266 448 T C 1.834 176.737 174.700 0.337 0.000 1.037 448 T CA 1.492 63.732 62.100 0.233 0.000 1.146 448 T CB -0.488 68.544 68.868 0.273 0.000 0.865 448 T HN 0.324 nan 8.240 nan 0.000 0.435 449 A N 1.662 124.637 122.820 0.257 0.000 1.902 449 A HA -0.105 4.217 4.320 0.004 0.000 0.217 449 A C 2.300 180.028 177.584 0.240 0.000 1.181 449 A CA 1.762 53.941 52.037 0.237 0.000 0.623 449 A CB -0.619 18.463 19.000 0.137 0.000 0.818 449 A HN 0.417 nan 8.150 nan 0.000 0.443 450 R N -0.564 120.037 120.500 0.167 0.000 2.091 450 R HA -0.135 4.207 4.340 0.004 0.000 0.238 450 R C 2.222 178.601 176.300 0.132 0.000 1.136 450 R CA 1.648 57.823 56.100 0.125 0.000 0.959 450 R CB -0.656 29.691 30.300 0.078 0.000 0.856 450 R HN 0.473 nan 8.270 nan 0.000 0.437 451 G N -0.648 108.241 108.800 0.149 0.000 2.402 451 G HA2 -0.270 3.692 3.960 0.004 0.000 0.216 451 G HA3 -0.270 3.692 3.960 0.004 0.000 0.216 451 G C 1.045 176.004 174.900 0.097 0.000 1.162 451 G CA 0.590 45.750 45.100 0.100 0.000 0.777 451 G HN 0.335 nan 8.290 nan 0.000 0.539 452 Y N -0.057 120.313 120.300 0.116 0.000 2.181 452 Y HA -0.073 4.479 4.550 0.004 0.000 0.288 452 Y C 2.637 178.603 175.900 0.111 0.000 1.146 452 Y CA 1.246 59.428 58.100 0.136 0.000 1.164 452 Y CB -0.347 38.246 38.460 0.221 0.000 0.982 452 Y HN 0.198 nan 8.280 nan 0.000 0.515 453 L N 0.302 121.682 121.223 0.262 0.000 2.042 453 L HA -0.197 4.146 4.340 0.004 0.000 0.210 453 L C 2.083 179.016 176.870 0.105 0.000 1.076 453 L CA 1.866 56.811 54.840 0.175 0.000 0.749 453 L CB -0.743 41.404 42.059 0.145 0.000 0.893 453 L HN 0.118 nan 8.230 nan 0.000 0.432 454 E N -0.464 119.782 120.200 0.076 0.000 2.051 454 E HA -0.167 4.185 4.350 0.004 0.000 0.192 454 E C 2.344 178.952 176.600 0.013 0.000 0.991 454 E CA 1.585 58.007 56.400 0.037 0.000 0.799 454 E CB -0.686 29.028 29.700 0.022 0.000 0.748 454 E HN 0.429 nan 8.360 nan 0.000 0.449 455 V N 1.638 121.546 119.914 -0.010 0.000 2.295 455 V HA -0.239 3.883 4.120 0.004 0.000 0.246 455 V C 2.471 178.552 176.094 -0.022 0.000 1.049 455 V CA 1.422 63.693 62.300 -0.049 0.000 1.024 455 V CB -0.454 31.293 31.823 -0.127 0.000 0.648 455 V HN 0.186 nan 8.190 nan 0.000 0.447 456 I N -0.308 120.277 120.570 0.025 0.000 2.163 456 I HA -0.322 3.850 4.170 0.004 0.000 0.243 456 I C 2.667 178.807 176.117 0.037 0.000 1.085 456 I CA 1.860 63.191 61.300 0.051 0.000 1.347 456 I CB -0.365 37.708 38.000 0.121 0.000 1.044 456 I HN 0.335 nan 8.210 nan 0.000 0.408 457 Q N 0.984 120.810 119.800 0.043 0.000 2.124 457 Q HA -0.263 4.080 4.340 0.004 0.000 0.202 457 Q C 1.988 177.996 176.000 0.013 0.000 0.977 457 Q CA 1.852 57.675 55.803 0.034 0.000 0.850 457 Q CB -0.216 28.545 28.738 0.038 0.000 0.901 457 Q HN 0.488 nan 8.270 nan 0.000 0.429 458 E N -0.226 119.974 120.200 0.001 0.000 2.047 458 E HA -0.165 4.188 4.350 0.004 0.000 0.191 458 E C 1.889 178.473 176.600 -0.026 0.000 0.987 458 E CA 1.482 57.873 56.400 -0.015 0.000 0.799 458 E CB -0.287 29.397 29.700 -0.027 0.000 0.752 458 E HN 0.662 nan 8.360 nan 0.000 0.449 459 I N -2.102 118.447 120.570 -0.035 0.000 2.830 459 I HA 0.048 4.221 4.170 0.004 0.000 0.263 459 I C 2.193 178.293 176.117 -0.029 0.000 1.230 459 I CA 0.934 62.204 61.300 -0.049 0.000 1.480 459 I CB -0.130 37.824 38.000 -0.077 0.000 1.095 459 I HN -0.002 nan 8.210 nan 0.000 0.455 460 A N 1.742 124.556 122.820 -0.010 0.000 1.898 460 A HA -0.121 4.201 4.320 0.004 0.000 0.214 460 A C 1.908 179.490 177.584 -0.004 0.000 1.183 460 A CA 1.652 53.689 52.037 0.000 0.000 0.622 460 A CB -0.518 18.492 19.000 0.016 0.000 0.824 460 A HN 0.424 nan 8.150 nan 0.000 0.444 461 D N -0.283 120.114 120.400 -0.004 0.000 2.144 461 D HA 0.065 4.708 4.640 0.004 0.000 0.200 461 D C 1.577 177.870 176.300 -0.012 0.000 0.978 461 D CA 1.476 55.473 54.000 -0.005 0.000 0.833 461 D CB -0.320 40.478 40.800 -0.003 0.000 0.961 461 D HN 0.519 nan 8.370 nan 0.000 0.470 462 R N 0.000 120.488 120.500 -0.020 0.000 2.786 462 R HA 0.000 4.342 4.340 0.004 0.000 0.208 462 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 462 R CB 0.000 30.279 30.300 -0.036 0.000 0.687 462 R HN 0.000 nan 8.270 nan 0.000 0.535