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 1x1d_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNNDLLNYYH RANELVFKGL IEFSCMKAAI ELDLFSHMAE GPKDLATLAA DATA SEQUENCE DTGSVPPRLE MLLETLRQMR VINLEDGKWS LTEFADYMFS PTPKEPNLHQ DATA SEQUENCE TPVAKAMAFL ADDFYMGLSQ AVRGQKNFKG QVPYPPVTRE DNLYFEEIHR DATA SEQUENCE SNAKFAIQLL LEEAKLDGVK KMIDVGGGIG DISAAMLKHF PELDSTILNL DATA SEQUENCE PGAIDLVNEN AAEKGVADRM RGIAVDIYKE SYPEADAVLF CRILYSANEQ DATA SEQUENCE LSTIMCKKAF DAMRSGGRLL ILDMVIDDPE NPNFDYLSHY ILGAGMPFSV DATA SEQUENCE LGFKEQARYK EILESLGYKD VTMVRKYDHL LVQAVKP 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 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.541 174.600 -0.098 0.000 1.055 2 S CA 0.000 58.152 58.200 -0.079 0.000 1.107 2 S CB 0.000 63.163 63.200 -0.062 0.000 0.593 3 N N 1.506 120.162 118.700 -0.073 0.000 2.446 3 N HA 0.058 4.797 4.740 -0.001 0.000 0.179 3 N C 1.188 176.654 175.510 -0.073 0.000 1.054 3 N CA 0.909 53.916 53.050 -0.072 0.000 0.905 3 N CB -0.088 38.367 38.487 -0.054 0.000 0.973 3 N HN 0.524 8.904 8.380 -0.000 0.000 0.448 4 N N 0.600 119.259 118.700 -0.068 0.000 2.405 4 N HA -0.038 4.702 4.740 -0.001 0.000 0.175 4 N C 1.043 176.506 175.510 -0.078 0.000 1.051 4 N CA 0.605 53.624 53.050 -0.052 0.000 0.899 4 N CB 0.200 38.663 38.487 -0.040 0.000 1.000 4 N HN 0.013 8.393 8.380 -0.000 0.000 0.451 5 D N -0.452 119.864 120.400 -0.140 0.000 2.144 5 D HA -0.007 4.633 4.640 -0.001 0.000 0.200 5 D C 1.634 177.670 176.300 -0.440 0.000 0.978 5 D CA 0.813 54.661 54.000 -0.253 0.000 0.833 5 D CB 0.149 40.778 40.800 -0.285 0.000 0.961 5 D HN 0.264 8.634 8.370 -0.000 0.000 0.470 6 L N -0.254 120.780 121.223 -0.315 0.000 2.179 6 L HA -0.022 4.318 4.340 -0.001 0.000 0.208 6 L C 2.007 178.886 176.870 0.015 0.000 1.096 6 L CA 0.169 54.874 54.840 -0.225 0.000 0.779 6 L CB -0.175 41.811 42.059 -0.122 0.000 0.922 6 L HN 0.137 8.367 8.230 -0.000 0.000 0.443 7 L N 0.229 121.468 121.223 0.025 0.000 2.275 7 L HA -0.116 4.224 4.340 -0.001 0.000 0.215 7 L C 2.167 179.258 176.870 0.368 0.000 1.119 7 L CA 1.499 56.435 54.840 0.159 0.000 0.790 7 L CB -0.686 41.435 42.059 0.103 0.000 0.919 7 L HN 0.248 8.478 8.230 -0.000 0.000 0.443 8 N N -1.225 117.608 118.700 0.221 0.000 2.132 8 N HA -0.176 4.564 4.740 -0.001 0.000 0.187 8 N C 1.931 177.686 175.510 0.409 0.000 1.038 8 N CA 1.686 54.897 53.050 0.269 0.000 0.846 8 N CB -0.564 38.025 38.487 0.169 0.000 1.012 8 N HN 0.450 8.830 8.380 -0.000 0.000 0.429 9 Y N 0.382 120.777 120.300 0.159 0.000 2.062 9 Y HA -0.381 4.168 4.550 -0.001 0.000 0.276 9 Y C 2.521 178.526 175.900 0.174 0.000 1.189 9 Y CA 1.402 59.584 58.100 0.136 0.000 1.130 9 Y CB -0.533 37.995 38.460 0.113 0.000 0.959 9 Y HN 0.093 8.373 8.280 -0.000 0.000 0.499 10 Y N 0.499 120.952 120.300 0.254 0.000 2.040 10 Y HA -0.386 4.163 4.550 -0.000 0.000 0.275 10 Y C 2.682 178.628 175.900 0.077 0.000 1.171 10 Y CA 2.120 60.292 58.100 0.121 0.000 1.123 10 Y CB -0.992 37.503 38.460 0.059 0.000 0.963 10 Y HN 0.184 8.464 8.280 -0.000 0.000 0.493 11 H N -0.773 118.401 119.070 0.173 0.000 2.387 11 H HA -0.154 4.402 4.556 -0.001 0.000 0.299 11 H C 2.331 177.664 175.328 0.009 0.000 1.099 11 H CA 1.825 57.895 56.048 0.038 0.000 1.315 11 H CB -0.014 29.816 29.762 0.114 0.000 1.380 11 H HN 0.202 8.482 8.280 -0.000 0.000 0.513 12 R N 1.238 121.842 120.500 0.174 0.000 2.062 12 R HA 0.011 4.351 4.340 -0.001 0.000 0.229 12 R C 2.427 178.748 176.300 0.036 0.000 1.128 12 R CA 1.454 57.611 56.100 0.095 0.000 0.960 12 R CB -0.787 29.569 30.300 0.094 0.000 0.855 12 R HN 0.205 8.475 8.270 -0.000 0.000 0.432 13 A N 0.671 123.507 122.820 0.026 0.000 1.883 13 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 13 A C 1.890 179.478 177.584 0.006 0.000 1.186 13 A CA 1.997 54.034 52.037 0.000 0.000 0.624 13 A CB -0.874 18.136 19.000 0.017 0.000 0.822 13 A HN 0.649 8.799 8.150 -0.000 0.000 0.444 14 N N -0.941 117.744 118.700 -0.024 0.000 2.309 14 N HA -0.147 4.592 4.740 -0.001 0.000 0.182 14 N C 1.846 177.427 175.510 0.118 0.000 1.018 14 N CA 0.966 54.070 53.050 0.090 0.000 0.876 14 N CB -0.096 38.267 38.487 -0.206 0.000 0.972 14 N HN 0.765 9.145 8.380 -0.000 0.000 0.434 15 E N 1.031 121.255 120.200 0.039 0.000 2.047 15 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 15 E C 1.726 178.338 176.600 0.020 0.000 0.987 15 E CA 0.725 57.148 56.400 0.037 0.000 0.799 15 E CB 0.189 29.906 29.700 0.028 0.000 0.752 15 E HN 0.150 8.510 8.360 -0.000 0.000 0.449 16 L N 0.683 121.905 121.223 -0.001 0.000 2.046 16 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 16 L C 2.491 179.322 176.870 -0.065 0.000 1.077 16 L CA 1.105 55.923 54.840 -0.036 0.000 0.747 16 L CB -1.067 40.968 42.059 -0.040 0.000 0.896 16 L HN 0.181 8.411 8.230 -0.000 0.000 0.432 17 V N -1.681 118.180 119.914 -0.088 0.000 2.446 17 V HA -0.155 3.965 4.120 -0.001 0.000 0.244 17 V C 2.073 177.970 176.094 -0.328 0.000 1.039 17 V CA 1.260 63.396 62.300 -0.274 0.000 1.045 17 V CB -0.350 31.213 31.823 -0.432 0.000 0.681 17 V HN 0.143 8.333 8.190 -0.000 0.000 0.459 18 F N -0.087 119.831 119.950 -0.053 0.000 2.387 18 F HA 0.188 4.715 4.527 -0.001 0.000 0.278 18 F C 2.334 178.117 175.800 -0.027 0.000 1.010 18 F CA 0.997 58.972 58.000 -0.041 0.000 1.236 18 F CB -0.532 38.433 39.000 -0.058 0.000 1.137 18 F HN -0.185 8.115 8.300 -0.000 0.000 0.604 19 K N 0.732 121.247 120.400 0.191 0.000 2.032 19 K HA -0.140 4.179 4.320 -0.001 0.000 0.209 19 K C 2.264 178.902 176.600 0.064 0.000 1.048 19 K CA 1.631 57.975 56.287 0.096 0.000 0.927 19 K CB -0.799 31.736 32.500 0.058 0.000 0.712 19 K HN 0.364 8.614 8.250 -0.000 0.000 0.441 20 G N 1.489 110.308 108.800 0.032 0.000 2.418 20 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.217 20 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.217 20 G C 1.399 176.332 174.900 0.055 0.000 1.158 20 G CA 0.815 45.919 45.100 0.006 0.000 0.771 20 G HN 0.302 8.592 8.290 -0.000 0.000 0.545 21 L N 0.682 121.934 121.223 0.049 0.000 2.044 21 L HA 0.113 4.453 4.340 -0.001 0.000 0.205 21 L C 2.563 179.505 176.870 0.119 0.000 1.075 21 L CA 1.207 56.095 54.840 0.080 0.000 0.747 21 L CB -0.389 41.679 42.059 0.015 0.000 0.903 21 L HN 0.085 8.315 8.230 -0.000 0.000 0.435 22 I N -0.145 120.484 120.570 0.098 0.000 2.286 22 I HA -0.230 3.940 4.170 -0.001 0.000 0.248 22 I C 2.455 178.611 176.117 0.066 0.000 1.115 22 I CA 1.278 62.627 61.300 0.083 0.000 1.392 22 I CB -1.199 36.856 38.000 0.092 0.000 1.065 22 I HN 0.446 8.656 8.210 -0.000 0.000 0.418 23 E N 0.066 120.315 120.200 0.083 0.000 2.072 23 E HA -0.210 4.140 4.350 -0.001 0.000 0.190 23 E C 2.192 178.838 176.600 0.077 0.000 0.982 23 E CA 0.924 57.366 56.400 0.069 0.000 0.803 23 E CB -0.247 29.499 29.700 0.077 0.000 0.755 23 E HN 0.397 8.757 8.360 -0.000 0.000 0.453 24 F N 1.822 121.774 119.950 0.004 0.000 2.102 24 F HA -0.204 4.322 4.527 -0.001 0.000 0.298 24 F C 2.457 178.261 175.800 0.006 0.000 1.105 24 F CA 1.313 59.319 58.000 0.010 0.000 1.239 24 F CB -0.031 38.972 39.000 0.006 0.000 0.991 24 F HN -0.140 8.160 8.300 -0.000 0.000 0.474 25 S N -0.453 115.247 115.700 -0.001 0.000 2.374 25 S HA -0.252 4.217 4.470 -0.001 0.000 0.227 25 S C 2.115 176.608 174.600 -0.177 0.000 1.037 25 S CA 1.503 59.647 58.200 -0.093 0.000 1.024 25 S CB -0.933 62.279 63.200 0.020 0.000 0.861 25 S HN 0.571 8.881 8.310 -0.000 0.000 0.456 26 C N 1.074 120.298 119.300 -0.126 0.000 2.450 26 C HA 0.135 4.595 4.460 -0.001 0.000 0.279 26 C C 2.616 177.490 174.990 -0.193 0.000 1.335 26 C CA 0.324 59.261 59.018 -0.135 0.000 1.749 26 C CB -1.016 26.679 27.740 -0.075 0.000 1.963 26 C HN 0.521 8.751 8.230 -0.000 0.000 0.501 27 M N 0.863 120.331 119.600 -0.219 0.000 2.200 27 M HA -0.071 4.408 4.480 -0.001 0.000 0.265 27 M C 2.167 178.277 176.300 -0.316 0.000 1.066 27 M CA 1.352 56.512 55.300 -0.232 0.000 1.127 27 M CB -1.254 31.210 32.600 -0.227 0.000 1.379 27 M HN 0.436 8.726 8.290 -0.000 0.000 0.420 28 K N 0.210 120.322 120.400 -0.480 0.000 2.057 28 K HA -0.067 4.253 4.320 -0.001 0.000 0.206 28 K C 1.965 178.411 176.600 -0.256 0.000 1.050 28 K CA 1.355 57.377 56.287 -0.441 0.000 0.935 28 K CB 0.061 32.190 32.500 -0.619 0.000 0.715 28 K HN 0.186 8.436 8.250 -0.000 0.000 0.439 29 A N 1.276 123.950 122.820 -0.242 0.000 1.845 29 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 29 A C 2.388 179.828 177.584 -0.240 0.000 1.195 29 A CA 1.959 53.879 52.037 -0.196 0.000 0.616 29 A CB -1.108 17.787 19.000 -0.175 0.000 0.832 29 A HN 0.467 8.617 8.150 -0.000 0.000 0.443 30 A N -0.233 122.383 122.820 -0.340 0.000 1.948 30 A HA -0.167 4.153 4.320 -0.001 0.000 0.220 30 A C 2.149 179.442 177.584 -0.485 0.000 1.177 30 A CA 1.761 53.473 52.037 -0.542 0.000 0.636 30 A CB -0.676 17.750 19.000 -0.957 0.000 0.815 30 A HN 0.536 8.686 8.150 -0.000 0.000 0.449 31 I N -0.585 119.796 120.570 -0.316 0.000 2.202 31 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 31 I C 2.267 178.340 176.117 -0.073 0.000 1.091 31 I CA 1.572 62.800 61.300 -0.119 0.000 1.368 31 I CB -0.453 37.543 38.000 -0.008 0.000 1.058 31 I HN 0.428 8.638 8.210 -0.000 0.000 0.410 32 E N 0.254 120.404 120.200 -0.083 0.000 2.418 32 E HA -0.145 4.205 4.350 -0.001 0.000 0.197 32 E C 1.457 178.025 176.600 -0.053 0.000 1.026 32 E CA 0.619 56.993 56.400 -0.044 0.000 0.862 32 E CB 0.144 29.818 29.700 -0.043 0.000 0.799 32 E HN 0.301 8.661 8.360 -0.000 0.000 0.518 33 L N 0.117 121.282 121.223 -0.097 0.000 2.616 33 L HA 0.076 4.415 4.340 -0.001 0.000 0.229 33 L C 0.157 177.007 176.870 -0.033 0.000 1.110 33 L CA 0.542 55.328 54.840 -0.089 0.000 0.884 33 L CB 0.011 41.980 42.059 -0.151 0.000 1.115 33 L HN -0.021 8.209 8.230 -0.000 0.000 0.481 34 D N -1.540 118.845 120.400 -0.026 0.000 2.837 34 D HA -0.269 4.371 4.640 -0.001 0.000 0.230 34 D C 1.567 177.938 176.300 0.119 0.000 1.152 34 D CA 0.627 54.660 54.000 0.055 0.000 0.736 34 D CB -0.924 39.953 40.800 0.128 0.000 1.084 34 D HN 0.241 8.611 8.370 -0.000 0.000 0.429 35 L N -0.631 120.541 121.223 -0.085 0.000 1.970 35 L HA -0.210 4.130 4.340 -0.001 0.000 0.212 35 L C 1.968 178.846 176.870 0.013 0.000 1.071 35 L CA 1.699 56.470 54.840 -0.115 0.000 0.751 35 L CB -0.328 41.498 42.059 -0.388 0.000 0.889 35 L HN 0.143 8.373 8.230 -0.000 0.000 0.432 36 F N -0.384 119.607 119.950 0.067 0.000 2.154 36 F HA -0.261 4.266 4.527 -0.001 0.000 0.301 36 F C 3.049 178.891 175.800 0.069 0.000 1.087 36 F CA 1.470 59.515 58.000 0.076 0.000 1.274 36 F CB -1.425 37.628 39.000 0.089 0.000 1.009 36 F HN 0.115 8.415 8.300 -0.000 0.000 0.485 37 S N -1.067 114.756 115.700 0.204 0.000 2.368 37 S HA -0.209 4.261 4.470 -0.001 0.000 0.225 37 S C 1.886 176.468 174.600 -0.030 0.000 1.030 37 S CA 1.484 59.710 58.200 0.044 0.000 0.999 37 S CB -0.364 62.789 63.200 -0.079 0.000 0.844 37 S HN 0.510 8.820 8.310 -0.000 0.000 0.459 38 H N 0.222 119.334 119.070 0.070 0.000 2.428 38 H HA 0.191 4.746 4.556 -0.001 0.000 0.296 38 H C 2.144 177.518 175.328 0.077 0.000 1.062 38 H CA 1.627 57.708 56.048 0.055 0.000 1.350 38 H CB -0.098 29.679 29.762 0.026 0.000 1.403 38 H HN 0.357 8.637 8.280 -0.000 0.000 0.533 39 M N -0.235 119.498 119.600 0.221 0.000 2.200 39 M HA -0.026 4.454 4.480 -0.001 0.000 0.265 39 M C 2.615 179.013 176.300 0.163 0.000 1.066 39 M CA 0.968 56.385 55.300 0.195 0.000 1.127 39 M CB -0.046 32.692 32.600 0.230 0.000 1.379 39 M HN 0.356 8.646 8.290 -0.000 0.000 0.420 40 A N 0.611 123.523 122.820 0.154 0.000 2.042 40 A HA -0.215 4.105 4.320 -0.001 0.000 0.222 40 A C 1.969 179.602 177.584 0.082 0.000 1.167 40 A CA 1.705 53.808 52.037 0.110 0.000 0.649 40 A CB -0.572 18.482 19.000 0.089 0.000 0.809 40 A HN 0.433 8.583 8.150 -0.000 0.000 0.457 41 E N -0.539 119.710 120.200 0.082 0.000 2.005 41 E HA 0.100 4.450 4.350 -0.001 0.000 0.198 41 E C 1.177 177.819 176.600 0.071 0.000 1.010 41 E CA 1.375 57.815 56.400 0.067 0.000 0.825 41 E CB -0.563 29.181 29.700 0.074 0.000 0.769 41 E HN 0.668 9.028 8.360 -0.000 0.000 0.456 42 G N -0.246 108.607 108.800 0.088 0.000 2.368 42 G HA2 0.320 4.279 3.960 -0.001 0.000 0.293 42 G HA3 0.320 4.279 3.960 -0.001 0.000 0.293 42 G C -3.011 171.948 174.900 0.099 0.000 1.467 42 G CA -1.096 44.054 45.100 0.083 0.000 0.804 42 G HN -0.171 8.119 8.290 -0.000 0.000 0.535 43 P HA 0.176 4.596 4.420 -0.000 0.000 0.263 43 P C -0.530 176.834 177.300 0.108 0.000 1.168 43 P CA 0.680 63.843 63.100 0.104 0.000 0.759 43 P CB 0.327 32.067 31.700 0.068 0.000 0.782 44 K N 1.528 122.017 120.400 0.148 0.000 2.508 44 K HA 0.317 4.636 4.320 -0.001 0.000 0.260 44 K C -0.968 175.753 176.600 0.201 0.000 0.949 44 K CA -0.982 55.391 56.287 0.144 0.000 0.834 44 K CB 1.650 34.230 32.500 0.134 0.000 1.365 44 K HN 0.403 8.653 8.250 -0.000 0.000 0.437 45 D N 1.061 121.556 120.400 0.158 0.000 2.312 45 D HA 0.055 4.694 4.640 -0.001 0.000 0.248 45 D C 1.141 177.580 176.300 0.232 0.000 1.086 45 D CA -0.614 53.502 54.000 0.193 0.000 0.948 45 D CB 0.837 41.700 40.800 0.104 0.000 1.162 45 D HN 0.479 8.849 8.370 -0.000 0.000 0.446 46 L N 1.019 122.429 121.223 0.310 0.000 2.011 46 L HA -0.368 3.971 4.340 -0.001 0.000 0.225 46 L C 2.225 179.136 176.870 0.067 0.000 1.084 46 L CA 2.492 57.438 54.840 0.176 0.000 0.791 46 L CB -0.679 41.490 42.059 0.183 0.000 0.898 46 L HN 0.662 8.892 8.230 -0.000 0.000 0.440 47 A N -0.824 122.036 122.820 0.067 0.000 1.869 47 A HA -0.311 4.009 4.320 -0.001 0.000 0.218 47 A C 2.192 179.785 177.584 0.014 0.000 1.203 47 A CA 2.912 54.968 52.037 0.030 0.000 0.638 47 A CB -1.342 17.678 19.000 0.033 0.000 0.831 47 A HN 0.584 8.734 8.150 -0.000 0.000 0.450 48 T N 0.506 115.080 114.554 0.032 0.000 2.607 48 T HA -0.162 4.188 4.350 -0.001 0.000 0.267 48 T C 1.855 176.547 174.700 -0.015 0.000 1.049 48 T CA 1.664 63.776 62.100 0.020 0.000 1.162 48 T CB -0.533 68.364 68.868 0.048 0.000 0.863 48 T HN 0.372 8.612 8.240 -0.000 0.000 0.424 49 L N 0.787 122.005 121.223 -0.009 0.000 2.042 49 L HA -0.145 4.195 4.340 -0.001 0.000 0.210 49 L C 3.073 179.864 176.870 -0.133 0.000 1.076 49 L CA 1.313 56.110 54.840 -0.072 0.000 0.749 49 L CB -0.755 41.268 42.059 -0.060 0.000 0.893 49 L HN 0.271 8.501 8.230 -0.000 0.000 0.432 50 A N -0.071 122.692 122.820 -0.096 0.000 1.940 50 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 50 A C 2.512 180.034 177.584 -0.103 0.000 1.176 50 A CA 1.826 53.803 52.037 -0.101 0.000 0.631 50 A CB -0.609 18.352 19.000 -0.066 0.000 0.814 50 A HN 0.432 8.582 8.150 -0.000 0.000 0.446 51 A N -0.017 122.752 122.820 -0.085 0.000 1.872 51 A HA -0.132 4.187 4.320 -0.001 0.000 0.214 51 A C 1.775 179.283 177.584 -0.127 0.000 1.187 51 A CA 1.637 53.627 52.037 -0.077 0.000 0.614 51 A CB -0.552 18.422 19.000 -0.043 0.000 0.826 51 A HN 0.440 8.590 8.150 -0.000 0.000 0.442 52 D N -0.173 120.108 120.400 -0.198 0.000 2.182 52 D HA -0.127 4.512 4.640 -0.001 0.000 0.201 52 D C 2.013 177.975 176.300 -0.563 0.000 0.986 52 D CA 2.070 55.827 54.000 -0.405 0.000 0.847 52 D CB -0.439 39.992 40.800 -0.615 0.000 0.942 52 D HN 0.637 9.007 8.370 -0.000 0.000 0.467 53 T N -3.593 110.720 114.554 -0.401 0.000 3.060 53 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 53 T C 1.573 176.187 174.700 -0.142 0.000 1.079 53 T CA 0.588 62.527 62.100 -0.268 0.000 1.013 53 T CB 0.475 69.209 68.868 -0.223 0.000 0.975 53 T HN 0.183 8.423 8.240 -0.000 0.000 0.518 54 G N 1.771 110.498 108.800 -0.121 0.000 2.198 54 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.260 54 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.260 54 G C 0.105 174.963 174.900 -0.070 0.000 1.025 54 G CA 0.346 45.401 45.100 -0.075 0.000 0.769 54 G HN 1.232 9.522 8.290 -0.000 0.000 0.507 55 S N -1.809 113.840 115.700 -0.085 0.000 2.664 55 S HA 0.766 5.235 4.470 -0.001 0.000 0.304 55 S C 0.225 174.785 174.600 -0.067 0.000 1.099 55 S CA -0.296 57.858 58.200 -0.078 0.000 1.003 55 S CB 2.502 65.643 63.200 -0.098 0.000 1.092 55 S HN 1.756 10.066 8.310 -0.000 0.000 0.525 56 V N 0.950 120.830 119.914 -0.057 0.000 2.455 56 V HA 0.373 4.492 4.120 -0.001 0.000 0.273 56 V C -1.883 174.181 176.094 -0.049 0.000 1.045 56 V CA -1.472 60.801 62.300 -0.045 0.000 0.976 56 V CB 0.463 32.265 31.823 -0.035 0.000 0.993 56 V HN 0.708 8.898 8.190 -0.000 0.000 0.475 57 P HA -0.193 4.227 4.420 -0.000 0.000 0.219 57 P C -1.347 175.934 177.300 -0.032 0.000 1.159 57 P CA 2.941 66.020 63.100 -0.034 0.000 0.944 57 P CB -1.143 30.549 31.700 -0.013 0.000 0.792 58 P HA -0.160 4.260 4.420 -0.000 0.000 0.216 58 P C 1.355 178.637 177.300 -0.031 0.000 1.150 58 P CA 1.887 64.978 63.100 -0.014 0.000 0.837 58 P CB -0.288 31.407 31.700 -0.008 0.000 0.786 59 R N -0.864 119.611 120.500 -0.042 0.000 2.062 59 R HA -0.031 4.308 4.340 -0.001 0.000 0.229 59 R C 2.563 178.813 176.300 -0.083 0.000 1.128 59 R CA 0.742 56.810 56.100 -0.054 0.000 0.960 59 R CB -1.160 29.110 30.300 -0.051 0.000 0.855 59 R HN 0.141 8.411 8.270 -0.000 0.000 0.432 60 L N 1.846 123.008 121.223 -0.101 0.000 2.042 60 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 60 L C 2.188 178.939 176.870 -0.200 0.000 1.076 60 L CA 1.884 56.633 54.840 -0.152 0.000 0.749 60 L CB -0.580 41.383 42.059 -0.160 0.000 0.893 60 L HN 0.190 8.420 8.230 -0.000 0.000 0.432 61 E N -0.793 119.310 120.200 -0.162 0.000 2.147 61 E HA -0.303 4.046 4.350 -0.001 0.000 0.199 61 E C 2.101 178.617 176.600 -0.139 0.000 1.005 61 E CA 2.060 58.365 56.400 -0.159 0.000 0.810 61 E CB -0.181 29.505 29.700 -0.023 0.000 0.736 61 E HN 0.625 8.985 8.360 -0.000 0.000 0.460 62 M N -0.022 119.523 119.600 -0.093 0.000 2.086 62 M HA -0.157 4.322 4.480 -0.001 0.000 0.261 62 M C 2.461 178.703 176.300 -0.097 0.000 1.067 62 M CA 0.947 56.209 55.300 -0.065 0.000 1.116 62 M CB -0.279 32.298 32.600 -0.039 0.000 1.348 62 M HN 0.222 8.512 8.290 -0.000 0.000 0.407 63 L N 0.521 121.662 121.223 -0.137 0.000 2.046 63 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 63 L C 2.082 178.822 176.870 -0.217 0.000 1.077 63 L CA 1.692 56.440 54.840 -0.154 0.000 0.747 63 L CB -0.657 41.299 42.059 -0.172 0.000 0.896 63 L HN 0.141 8.371 8.230 -0.000 0.000 0.432 64 L N -0.081 120.924 121.223 -0.364 0.000 2.046 64 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 64 L C 2.642 179.240 176.870 -0.453 0.000 1.077 64 L CA 2.019 56.463 54.840 -0.659 0.000 0.747 64 L CB -1.069 40.203 42.059 -1.311 0.000 0.896 64 L HN 0.496 8.726 8.230 -0.000 0.000 0.432 65 E N -1.126 118.953 120.200 -0.202 0.000 2.110 65 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 65 E C 1.984 178.628 176.600 0.074 0.000 0.988 65 E CA 1.960 58.422 56.400 0.103 0.000 0.804 65 E CB -0.253 29.520 29.700 0.122 0.000 0.745 65 E HN 0.448 8.808 8.360 -0.000 0.000 0.458 66 T N 0.916 115.472 114.554 0.003 0.000 2.737 66 T HA -0.100 4.250 4.350 -0.001 0.000 0.265 66 T C 1.590 176.310 174.700 0.033 0.000 1.038 66 T CA 1.121 63.230 62.100 0.016 0.000 1.144 66 T CB -0.299 68.564 68.868 -0.010 0.000 0.866 66 T HN 0.059 8.299 8.240 -0.000 0.000 0.434 67 L N 1.206 122.433 121.223 0.007 0.000 2.043 67 L HA -0.044 4.296 4.340 -0.001 0.000 0.212 67 L C 2.567 179.509 176.870 0.121 0.000 1.075 67 L CA 1.531 56.403 54.840 0.053 0.000 0.752 67 L CB -0.890 41.185 42.059 0.027 0.000 0.891 67 L HN 0.169 8.399 8.230 -0.000 0.000 0.432 68 R N -0.671 119.926 120.500 0.162 0.000 2.080 68 R HA -0.198 4.142 4.340 -0.001 0.000 0.236 68 R C 2.222 178.616 176.300 0.156 0.000 1.137 68 R CA 1.815 58.061 56.100 0.242 0.000 0.943 68 R CB -0.153 30.390 30.300 0.404 0.000 0.846 68 R HN 0.521 8.791 8.270 -0.000 0.000 0.431 69 Q N -0.317 119.556 119.800 0.121 0.000 2.084 69 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 69 Q C 2.143 178.182 176.000 0.066 0.000 0.978 69 Q CA 1.843 57.696 55.803 0.082 0.000 0.844 69 Q CB -0.103 28.673 28.738 0.064 0.000 0.898 69 Q HN 0.410 8.680 8.270 -0.000 0.000 0.426 70 M N -0.166 119.475 119.600 0.068 0.000 2.374 70 M HA -0.053 4.426 4.480 -0.001 0.000 0.264 70 M C -0.219 176.118 176.300 0.061 0.000 1.067 70 M CA 0.891 56.225 55.300 0.057 0.000 1.103 70 M CB 0.066 32.702 32.600 0.060 0.000 1.402 70 M HN 0.076 8.366 8.290 -0.000 0.000 0.444 71 R N -0.823 119.733 120.500 0.094 0.000 3.122 71 R HA -0.108 4.232 4.340 -0.001 0.000 0.262 71 R C -0.113 176.284 176.300 0.163 0.000 1.035 71 R CA -0.188 55.976 56.100 0.107 0.000 0.685 71 R CB -2.428 27.908 30.300 0.061 0.000 1.254 71 R HN 0.225 8.495 8.270 -0.000 0.000 0.398 72 V N 0.005 120.041 119.914 0.203 0.000 3.359 72 V HA 0.253 4.373 4.120 -0.001 0.000 0.245 72 V C 1.007 177.257 176.094 0.259 0.000 1.247 72 V CA 1.463 63.924 62.300 0.268 0.000 1.145 72 V CB 0.366 32.332 31.823 0.239 0.000 0.906 72 V HN 0.484 8.674 8.190 -0.000 0.000 0.464 73 I N -2.927 117.795 120.570 0.254 0.000 3.174 73 I HA 0.674 4.843 4.170 -0.001 0.000 0.313 73 I C -1.409 174.879 176.117 0.284 0.000 1.155 73 I CA -0.838 60.633 61.300 0.285 0.000 0.977 73 I CB 2.458 40.654 38.000 0.327 0.000 1.248 73 I HN -0.121 8.089 8.210 -0.000 0.000 0.453 74 N N 2.108 120.976 118.700 0.280 0.000 2.312 74 N HA 0.604 5.344 4.740 -0.001 0.000 0.296 74 N C -1.707 173.851 175.510 0.082 0.000 1.193 74 N CA -0.527 52.627 53.050 0.173 0.000 0.773 74 N CB 2.994 41.540 38.487 0.097 0.000 1.435 74 N HN 0.642 9.022 8.380 -0.000 0.000 0.484 75 L N 0.885 122.008 121.223 -0.168 0.000 2.372 75 L HA 0.443 4.783 4.340 -0.001 0.000 0.274 75 L C -1.026 175.646 176.870 -0.330 0.000 0.988 75 L CA -0.380 54.113 54.840 -0.578 0.000 0.833 75 L CB 0.922 42.389 42.059 -0.986 0.000 1.236 75 L HN 0.526 8.756 8.230 -0.000 0.000 0.410 76 E N 4.941 124.971 120.200 -0.283 0.000 2.302 76 E HA 0.207 4.557 4.350 -0.001 0.000 0.263 76 E C -1.411 175.097 176.600 -0.153 0.000 0.897 76 E CA -0.669 55.631 56.400 -0.165 0.000 0.809 76 E CB 1.337 30.984 29.700 -0.088 0.000 1.270 76 E HN 0.571 8.931 8.360 -0.000 0.000 0.410 77 D N 2.382 122.699 120.400 -0.138 0.000 2.828 77 D HA -0.189 4.450 4.640 -0.001 0.000 0.241 77 D C 0.862 177.093 176.300 -0.116 0.000 1.142 77 D CA 1.397 55.336 54.000 -0.103 0.000 0.755 77 D CB -1.200 39.562 40.800 -0.064 0.000 1.014 77 D HN 1.058 9.428 8.370 -0.000 0.000 0.420 78 G N 0.083 108.784 108.800 -0.165 0.000 2.180 78 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.263 78 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.263 78 G C 0.217 175.023 174.900 -0.156 0.000 0.989 78 G CA 1.077 46.088 45.100 -0.148 0.000 0.692 78 G HN 0.545 8.835 8.290 -0.000 0.000 0.526 79 K N -0.913 119.355 120.400 -0.220 0.000 2.471 79 K HA 0.439 4.758 4.320 -0.001 0.000 0.252 79 K C -0.782 175.708 176.600 -0.184 0.000 0.938 79 K CA -0.879 55.336 56.287 -0.120 0.000 0.796 79 K CB 1.426 33.913 32.500 -0.023 0.000 1.161 79 K HN 0.157 8.407 8.250 -0.000 0.000 0.425 80 W N 1.587 122.910 121.300 0.037 0.000 2.381 80 W HA 0.314 4.974 4.660 -0.000 0.000 0.329 80 W C 0.706 177.263 176.519 0.063 0.000 1.157 80 W CA -0.007 57.367 57.345 0.049 0.000 1.240 80 W CB 1.335 30.823 29.460 0.046 0.000 1.199 80 W HN 0.603 8.783 8.180 -0.000 0.000 0.579 81 S N 1.114 117.007 115.700 0.322 0.000 2.840 81 S HA 0.663 5.133 4.470 -0.001 0.000 0.307 81 S C -1.267 173.481 174.600 0.245 0.000 1.180 81 S CA -1.052 57.286 58.200 0.229 0.000 0.846 81 S CB 1.016 64.304 63.200 0.148 0.000 1.233 81 S HN 0.217 8.527 8.310 -0.000 0.000 0.548 82 L N 2.072 123.415 121.223 0.199 0.000 2.387 82 L HA 0.582 4.922 4.340 -0.001 0.000 0.266 82 L C 1.103 178.071 176.870 0.163 0.000 1.059 82 L CA -0.093 54.862 54.840 0.191 0.000 0.801 82 L CB 1.186 43.334 42.059 0.147 0.000 1.223 82 L HN 1.154 9.384 8.230 -0.000 0.000 0.456 83 T N -2.436 112.222 114.554 0.174 0.000 2.810 83 T HA 0.189 4.538 4.350 -0.001 0.000 0.277 83 T C 1.015 175.809 174.700 0.158 0.000 0.973 83 T CA -0.491 61.713 62.100 0.173 0.000 0.949 83 T CB 1.127 70.128 68.868 0.221 0.000 1.075 83 T HN 0.632 8.872 8.240 -0.000 0.000 0.537 84 E N -0.420 119.873 120.200 0.154 0.000 2.051 84 E HA -0.115 4.235 4.350 -0.001 0.000 0.192 84 E C 1.736 178.444 176.600 0.180 0.000 0.991 84 E CA 0.840 57.319 56.400 0.132 0.000 0.799 84 E CB -0.251 29.505 29.700 0.092 0.000 0.748 84 E HN 0.654 9.014 8.360 -0.000 0.000 0.449 85 F N 1.258 121.260 119.950 0.086 0.000 2.091 85 F HA -0.239 4.287 4.527 -0.001 0.000 0.299 85 F C 1.940 177.836 175.800 0.160 0.000 1.103 85 F CA 1.878 59.950 58.000 0.118 0.000 1.228 85 F CB -0.667 38.402 39.000 0.114 0.000 0.984 85 F HN 0.083 8.383 8.300 -0.000 0.000 0.477 86 A N -0.113 122.688 122.820 -0.031 0.000 1.855 86 A HA -0.203 4.116 4.320 -0.001 0.000 0.215 86 A C 1.946 179.446 177.584 -0.140 0.000 1.191 86 A CA 1.770 53.705 52.037 -0.171 0.000 0.613 86 A CB -1.443 17.518 19.000 -0.065 0.000 0.829 86 A HN 0.504 8.654 8.150 -0.000 0.000 0.442 87 D N -2.301 118.093 120.400 -0.009 0.000 2.190 87 D HA -0.231 4.409 4.640 -0.001 0.000 0.200 87 D C 1.575 177.880 176.300 0.008 0.000 0.992 87 D CA 1.592 55.606 54.000 0.022 0.000 0.854 87 D CB -0.198 40.648 40.800 0.076 0.000 0.936 87 D HN 0.532 8.902 8.370 -0.000 0.000 0.462 88 Y N -0.686 119.536 120.300 -0.130 0.000 2.347 88 Y HA 0.125 4.675 4.550 -0.000 0.000 0.294 88 Y C 1.747 177.520 175.900 -0.212 0.000 1.117 88 Y CA 0.836 58.851 58.100 -0.142 0.000 1.184 88 Y CB 0.228 38.628 38.460 -0.100 0.000 1.047 88 Y HN -0.003 8.277 8.280 -0.000 0.000 0.546 89 M N -2.285 117.121 119.600 -0.323 0.000 2.567 89 M HA 0.134 4.613 4.480 -0.001 0.000 0.261 89 M C 0.150 175.915 176.300 -0.892 0.000 1.180 89 M CA 0.818 55.740 55.300 -0.631 0.000 1.143 89 M CB -0.330 31.672 32.600 -0.995 0.000 1.319 89 M HN 0.192 8.482 8.290 -0.000 0.000 0.490 90 F N -0.479 119.254 119.950 -0.362 0.000 2.735 90 F HA 0.341 4.868 4.527 -0.001 0.000 0.308 90 F C 1.081 176.771 175.800 -0.183 0.000 1.112 90 F CA -0.354 57.419 58.000 -0.378 0.000 1.235 90 F CB 0.164 38.665 39.000 -0.831 0.000 1.027 90 F HN -0.175 8.125 8.300 -0.000 0.000 0.528 91 S N 2.114 117.844 115.700 0.050 0.000 2.624 91 S HA 0.154 4.624 4.470 -0.001 0.000 0.263 91 S C -1.063 173.657 174.600 0.200 0.000 1.287 91 S CA -1.013 57.251 58.200 0.107 0.000 0.990 91 S CB 0.815 64.027 63.200 0.020 0.000 0.950 91 S HN 0.005 8.315 8.310 -0.000 0.000 0.561 92 P HA -0.007 4.413 4.420 -0.000 0.000 0.215 92 P C 0.358 177.732 177.300 0.124 0.000 1.157 92 P CA 1.024 64.201 63.100 0.127 0.000 0.859 92 P CB -0.505 31.231 31.700 0.060 0.000 0.786 93 T N -1.515 113.032 114.554 -0.010 0.000 2.875 93 T HA 0.455 4.805 4.350 -0.001 0.000 0.284 93 T C -2.600 171.830 174.700 -0.451 0.000 0.995 93 T CA -2.451 59.560 62.100 -0.149 0.000 1.060 93 T CB 1.228 70.028 68.868 -0.114 0.000 0.967 93 T HN -0.012 8.228 8.240 -0.000 0.000 0.476 94 P HA 0.300 4.720 4.420 -0.000 0.000 0.282 94 P C 0.218 177.181 177.300 -0.562 0.000 1.262 94 P CA -0.664 61.808 63.100 -1.047 0.000 0.773 94 P CB 1.153 32.312 31.700 -0.901 0.000 0.879 95 K N 1.423 121.463 120.400 -0.601 0.000 2.296 95 K HA -0.020 4.300 4.320 -0.001 0.000 0.200 95 K C 0.704 177.101 176.600 -0.337 0.000 1.048 95 K CA 0.898 56.934 56.287 -0.420 0.000 0.966 95 K CB 0.344 32.558 32.500 -0.477 0.000 0.754 95 K HN 0.582 8.832 8.250 -0.000 0.000 0.466 96 E N 0.904 120.844 120.200 -0.434 0.000 2.302 96 E HA 0.117 4.467 4.350 -0.001 0.000 0.263 96 E C -2.107 174.351 176.600 -0.237 0.000 0.897 96 E CA -1.849 54.403 56.400 -0.246 0.000 0.809 96 E CB 1.744 31.348 29.700 -0.159 0.000 1.270 96 E HN -0.229 8.131 8.360 -0.000 0.000 0.410 97 P HA -0.181 4.239 4.420 -0.000 0.000 0.219 97 P C 0.195 177.440 177.300 -0.093 0.000 1.144 97 P CA 1.126 64.149 63.100 -0.129 0.000 0.806 97 P CB 0.344 31.988 31.700 -0.093 0.000 0.771 98 N N -0.985 117.651 118.700 -0.107 0.000 2.204 98 N HA 0.161 4.900 4.740 -0.001 0.000 0.219 98 N C -0.069 175.376 175.510 -0.109 0.000 1.151 98 N CA -0.079 52.914 53.050 -0.096 0.000 0.867 98 N CB 0.723 39.139 38.487 -0.118 0.000 1.043 98 N HN 0.146 8.526 8.380 -0.000 0.000 0.516 99 L N 0.807 121.966 121.223 -0.107 0.000 2.563 99 L HA 0.310 4.649 4.340 -0.001 0.000 0.259 99 L C -1.539 175.287 176.870 -0.072 0.000 1.034 99 L CA -0.268 54.525 54.840 -0.078 0.000 0.899 99 L CB 0.696 42.701 42.059 -0.090 0.000 1.159 99 L HN 0.085 8.315 8.230 -0.000 0.000 0.456 100 H N 2.074 121.030 119.070 -0.191 0.000 3.083 100 H HA 0.193 4.749 4.556 -0.001 0.000 0.339 100 H C -0.518 174.664 175.328 -0.244 0.000 1.020 100 H CA -0.399 55.488 56.048 -0.268 0.000 1.360 100 H CB 2.074 31.699 29.762 -0.228 0.000 1.811 100 H HN 0.565 8.845 8.280 -0.000 0.000 0.493 101 Q N 2.084 121.551 119.800 -0.554 0.000 2.302 101 Q HA 0.011 4.351 4.340 -0.001 0.000 0.202 101 Q C 1.540 177.266 176.000 -0.457 0.000 0.936 101 Q CA 1.525 56.996 55.803 -0.554 0.000 0.886 101 Q CB 0.306 28.467 28.738 -0.962 0.000 0.986 101 Q HN 0.771 9.041 8.270 -0.000 0.000 0.487 102 T N 1.554 115.689 114.554 -0.699 0.000 2.592 102 T HA -0.196 4.154 4.350 -0.001 0.000 0.267 102 T C -1.066 173.551 174.700 -0.139 0.000 1.060 102 T CA 2.081 63.986 62.100 -0.325 0.000 1.167 102 T CB -1.225 67.383 68.868 -0.434 0.000 0.863 102 T HN 0.315 8.555 8.240 -0.000 0.000 0.431 103 P HA -0.056 4.364 4.420 -0.000 0.000 0.215 103 P C 1.727 179.023 177.300 -0.006 0.000 1.157 103 P CA 0.602 63.659 63.100 -0.072 0.000 0.874 103 P CB -0.208 31.439 31.700 -0.088 0.000 0.790 104 V N -0.918 119.003 119.914 0.011 0.000 2.719 104 V HA -0.083 4.037 4.120 -0.001 0.000 0.252 104 V C 2.045 178.247 176.094 0.180 0.000 1.065 104 V CA 1.833 64.190 62.300 0.096 0.000 1.086 104 V CB -1.245 30.649 31.823 0.118 0.000 0.700 104 V HN 0.019 8.209 8.190 -0.000 0.000 0.467 105 A N 0.035 122.970 122.820 0.192 0.000 1.873 105 A HA -0.211 4.108 4.320 -0.001 0.000 0.215 105 A C 2.199 179.937 177.584 0.256 0.000 1.186 105 A CA 1.962 54.175 52.037 0.292 0.000 0.616 105 A CB -0.498 18.749 19.000 0.410 0.000 0.823 105 A HN 0.564 8.714 8.150 -0.000 0.000 0.442 106 K N -0.192 120.329 120.400 0.200 0.000 2.103 106 K HA -0.108 4.212 4.320 -0.001 0.000 0.207 106 K C 2.222 178.973 176.600 0.250 0.000 1.048 106 K CA 1.179 57.582 56.287 0.193 0.000 0.930 106 K CB -0.323 32.265 32.500 0.147 0.000 0.716 106 K HN 0.460 8.710 8.250 -0.000 0.000 0.444 107 A N 1.066 124.037 122.820 0.251 0.000 1.898 107 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 107 A C 2.100 179.919 177.584 0.391 0.000 1.181 107 A CA 1.191 53.411 52.037 0.304 0.000 0.620 107 A CB -0.252 18.901 19.000 0.253 0.000 0.819 107 A HN 0.096 8.246 8.150 -0.000 0.000 0.442 108 M N -0.261 119.569 119.600 0.383 0.000 2.132 108 M HA -0.058 4.422 4.480 -0.001 0.000 0.263 108 M C 2.536 179.185 176.300 0.581 0.000 1.065 108 M CA 1.508 57.095 55.300 0.479 0.000 1.122 108 M CB -1.650 31.230 32.600 0.467 0.000 1.365 108 M HN 0.465 8.755 8.290 -0.000 0.000 0.411 109 A N -0.134 122.983 122.820 0.494 0.000 1.948 109 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 109 A C 2.159 179.957 177.584 0.357 0.000 1.177 109 A CA 1.685 53.956 52.037 0.389 0.000 0.636 109 A CB -1.092 18.012 19.000 0.174 0.000 0.815 109 A HN 0.443 8.593 8.150 -0.000 0.000 0.449 110 F N 0.289 120.370 119.950 0.217 0.000 2.060 110 F HA -0.063 4.463 4.527 -0.001 0.000 0.295 110 F C 1.945 177.845 175.800 0.168 0.000 1.120 110 F CA 1.675 59.768 58.000 0.156 0.000 1.205 110 F CB -0.342 38.728 39.000 0.117 0.000 0.986 110 F HN 0.120 8.420 8.300 -0.000 0.000 0.470 111 L N 0.104 121.586 121.223 0.433 0.000 2.129 111 L HA -0.259 4.080 4.340 -0.001 0.000 0.212 111 L C 2.731 179.675 176.870 0.123 0.000 1.087 111 L CA 1.013 55.985 54.840 0.220 0.000 0.757 111 L CB -1.164 41.002 42.059 0.180 0.000 0.896 111 L HN 0.330 8.560 8.230 -0.000 0.000 0.434 112 A N 0.037 123.068 122.820 0.353 0.000 1.865 112 A HA -0.259 4.061 4.320 -0.001 0.000 0.217 112 A C 1.972 179.654 177.584 0.162 0.000 1.191 112 A CA 2.184 54.449 52.037 0.380 0.000 0.623 112 A CB -0.536 18.751 19.000 0.479 0.000 0.826 112 A HN 0.343 8.493 8.150 -0.000 0.000 0.444 113 D N -0.485 119.942 120.400 0.045 0.000 2.097 113 D HA -0.129 4.510 4.640 -0.001 0.000 0.197 113 D C 1.739 177.953 176.300 -0.144 0.000 0.984 113 D CA 1.366 55.322 54.000 -0.072 0.000 0.826 113 D CB -0.430 40.275 40.800 -0.159 0.000 0.973 113 D HN 0.523 8.893 8.370 -0.000 0.000 0.460 114 D N -1.305 118.936 120.400 -0.265 0.000 2.144 114 D HA -0.142 4.498 4.640 -0.001 0.000 0.200 114 D C 1.410 177.713 176.300 0.005 0.000 0.978 114 D CA 0.793 54.661 54.000 -0.220 0.000 0.833 114 D CB 0.246 40.831 40.800 -0.357 0.000 0.961 114 D HN 0.223 8.593 8.370 -0.000 0.000 0.470 115 F N -1.529 118.327 119.950 -0.157 0.000 2.244 115 F HA 0.127 4.654 4.527 -0.001 0.000 0.272 115 F C 1.789 177.540 175.800 -0.080 0.000 0.882 115 F CA -0.289 57.637 58.000 -0.123 0.000 1.101 115 F CB -0.407 38.539 39.000 -0.091 0.000 1.097 115 F HN -0.243 8.057 8.300 -0.000 0.000 0.762 116 Y N 0.420 120.832 120.300 0.187 0.000 2.081 116 Y HA -0.334 4.216 4.550 -0.000 0.000 0.280 116 Y C 2.407 178.235 175.900 -0.121 0.000 1.163 116 Y CA 1.484 59.601 58.100 0.028 0.000 1.135 116 Y CB -0.441 38.052 38.460 0.055 0.000 0.970 116 Y HN 0.041 8.321 8.280 -0.000 0.000 0.498 117 M N -0.709 118.933 119.600 0.069 0.000 2.346 117 M HA -0.086 4.394 4.480 -0.001 0.000 0.263 117 M C 1.726 177.977 176.300 -0.083 0.000 1.064 117 M CA 1.271 56.567 55.300 -0.007 0.000 1.083 117 M CB -1.301 31.301 32.600 0.003 0.000 1.399 117 M HN 0.321 8.611 8.290 -0.000 0.000 0.435 118 G N -1.076 107.623 108.800 -0.169 0.000 3.690 118 G HA2 0.261 4.221 3.960 -0.001 0.000 0.283 118 G HA3 0.261 4.221 3.960 -0.001 0.000 0.283 118 G C 1.154 175.854 174.900 -0.334 0.000 1.057 118 G CA -0.208 44.763 45.100 -0.215 0.000 0.821 118 G HN 0.318 8.608 8.290 -0.000 0.000 0.526 119 L N 1.878 122.890 121.223 -0.351 0.000 2.081 119 L HA -0.135 4.205 4.340 -0.001 0.000 0.212 119 L C 2.951 179.705 176.870 -0.193 0.000 1.080 119 L CA 2.641 57.263 54.840 -0.363 0.000 0.754 119 L CB -0.406 41.563 42.059 -0.151 0.000 0.893 119 L HN 0.310 8.540 8.230 -0.000 0.000 0.433 120 S N -1.561 114.062 115.700 -0.128 0.000 2.399 120 S HA -0.253 4.217 4.470 -0.001 0.000 0.231 120 S C 1.822 176.375 174.600 -0.078 0.000 1.022 120 S CA 1.302 59.454 58.200 -0.080 0.000 0.983 120 S CB -0.562 62.600 63.200 -0.062 0.000 0.803 120 S HN 0.722 9.032 8.310 -0.000 0.000 0.480 121 Q N 1.028 120.765 119.800 -0.106 0.000 2.096 121 Q HA 0.174 4.514 4.340 -0.001 0.000 0.197 121 Q C 2.678 178.636 176.000 -0.071 0.000 0.964 121 Q CA 1.164 56.917 55.803 -0.083 0.000 0.838 121 Q CB -0.511 28.172 28.738 -0.093 0.000 0.906 121 Q HN 0.739 9.009 8.270 -0.000 0.000 0.444 122 A N 0.782 123.531 122.820 -0.117 0.000 1.865 122 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 122 A C 2.366 179.953 177.584 0.005 0.000 1.191 122 A CA 1.539 53.553 52.037 -0.038 0.000 0.623 122 A CB -0.970 17.996 19.000 -0.057 0.000 0.826 122 A HN 0.208 8.358 8.150 -0.000 0.000 0.444 123 V N -0.014 119.892 119.914 -0.013 0.000 2.453 123 V HA -0.271 3.849 4.120 -0.001 0.000 0.252 123 V C 2.380 178.477 176.094 0.004 0.000 1.068 123 V CA 2.250 64.553 62.300 0.005 0.000 1.070 123 V CB -0.865 30.955 31.823 -0.005 0.000 0.664 123 V HN 0.504 8.694 8.190 -0.000 0.000 0.461 124 R N -0.566 119.929 120.500 -0.007 0.000 2.320 124 R HA 0.207 4.547 4.340 -0.001 0.000 0.211 124 R C 1.800 178.103 176.300 0.005 0.000 0.931 124 R CA 0.630 56.728 56.100 -0.004 0.000 1.071 124 R CB 0.060 30.352 30.300 -0.013 0.000 1.025 124 R HN 0.621 8.891 8.270 -0.000 0.000 0.495 125 G N 0.906 109.714 108.800 0.013 0.000 2.234 125 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.260 125 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.260 125 G C 0.782 175.692 174.900 0.017 0.000 0.987 125 G CA 0.442 45.555 45.100 0.022 0.000 0.625 125 G HN 0.441 8.731 8.290 -0.000 0.000 0.532 126 Q N -0.184 119.618 119.800 0.004 0.000 2.488 126 Q HA 0.174 4.514 4.340 -0.001 0.000 0.211 126 Q C 0.985 176.985 176.000 0.001 0.000 0.967 126 Q CA 1.254 57.056 55.803 -0.001 0.000 0.926 126 Q CB 0.256 28.986 28.738 -0.014 0.000 0.992 126 Q HN 0.557 8.827 8.270 -0.000 0.000 0.506 127 K N 0.202 120.610 120.400 0.012 0.000 2.546 127 K HA 0.308 4.628 4.320 -0.001 0.000 0.264 127 K C -1.644 175.013 176.600 0.096 0.000 0.937 127 K CA -0.425 55.879 56.287 0.029 0.000 0.833 127 K CB 1.726 34.215 32.500 -0.019 0.000 1.378 127 K HN -0.040 8.210 8.250 -0.000 0.000 0.432 128 N N 1.400 120.175 118.700 0.125 0.000 2.457 128 N HA 0.373 5.113 4.740 -0.001 0.000 0.290 128 N C -1.534 174.145 175.510 0.281 0.000 1.232 128 N CA -0.736 52.422 53.050 0.180 0.000 0.852 128 N CB 1.336 39.875 38.487 0.087 0.000 1.313 128 N HN 0.311 8.691 8.380 -0.000 0.000 0.522 129 F N 1.377 121.384 119.950 0.094 0.000 2.411 129 F HA 0.291 4.818 4.527 0.000 0.000 0.350 129 F C 0.867 176.650 175.800 -0.028 0.000 1.114 129 F CA -0.020 57.957 58.000 -0.038 0.000 1.135 129 F CB 1.227 39.989 39.000 -0.398 0.000 1.120 129 F HN 0.425 8.725 8.300 -0.000 0.000 0.495 130 K N 4.089 123.972 120.400 -0.862 0.000 2.325 130 K HA 0.453 4.773 4.320 -0.001 0.000 0.203 130 K C 0.409 176.445 176.600 -0.939 0.000 1.128 130 K CA 0.928 56.833 56.287 -0.637 0.000 0.931 130 K CB 0.063 32.398 32.500 -0.275 0.000 1.125 130 K HN 0.968 9.218 8.250 -0.000 0.000 0.487 131 G N 1.158 109.285 108.800 -1.122 0.000 2.785 131 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.685 131 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.685 131 G C 0.178 174.963 174.900 -0.191 0.000 1.480 131 G CA 0.273 45.026 45.100 -0.578 0.000 0.915 131 G HN 0.330 8.620 8.290 -0.000 0.000 0.576 132 Q N -0.980 118.710 119.800 -0.183 0.000 1.948 132 Q HA 0.025 4.365 4.340 -0.001 0.000 0.205 132 Q C 1.914 177.660 176.000 -0.424 0.000 0.992 132 Q CA 2.631 58.105 55.803 -0.547 0.000 0.849 132 Q CB -0.161 28.053 28.738 -0.873 0.000 0.918 132 Q HN 1.576 9.846 8.270 -0.000 0.000 0.421 133 V N -1.381 118.281 119.914 -0.420 0.000 2.881 133 V HA 0.569 4.689 4.120 -0.001 0.000 0.316 133 V C -2.551 173.527 176.094 -0.027 0.000 1.070 133 V CA -2.228 59.874 62.300 -0.330 0.000 0.976 133 V CB 1.094 32.557 31.823 -0.600 0.000 1.038 133 V HN 0.133 8.323 8.190 -0.000 0.000 0.446 134 P HA 0.365 4.785 4.420 -0.000 0.000 0.272 134 P C -1.750 175.796 177.300 0.410 0.000 1.240 134 P CA 0.129 63.329 63.100 0.167 0.000 0.791 134 P CB 0.118 31.868 31.700 0.083 0.000 0.978 135 Y N 0.859 121.291 120.300 0.219 0.000 2.441 135 Y HA 0.409 4.958 4.550 -0.001 0.000 0.334 135 Y C -2.448 173.509 175.900 0.096 0.000 1.061 135 Y CA -2.153 56.068 58.100 0.201 0.000 1.032 135 Y CB 1.252 39.820 38.460 0.180 0.000 1.266 135 Y HN 0.329 8.609 8.280 -0.000 0.000 0.441 136 P HA 0.267 4.687 4.420 -0.000 0.000 0.276 136 P C -2.830 174.392 177.300 -0.130 0.000 1.243 136 P CA -1.010 61.671 63.100 -0.697 0.000 0.768 136 P CB 0.873 32.212 31.700 -0.601 0.000 0.856 137 P HA -0.087 4.333 4.420 -0.000 0.000 0.267 137 P C 0.333 177.682 177.300 0.081 0.000 1.195 137 P CA -0.032 63.188 63.100 0.200 0.000 0.773 137 P CB 0.929 32.870 31.700 0.401 0.000 0.837 138 V N 0.481 120.434 119.914 0.066 0.000 3.058 138 V HA 0.033 4.153 4.120 -0.001 0.000 0.233 138 V C 1.112 177.227 176.094 0.035 0.000 1.255 138 V CA 0.941 63.262 62.300 0.035 0.000 1.267 138 V CB -0.669 31.166 31.823 0.019 0.000 1.049 138 V HN 0.511 8.701 8.190 -0.000 0.000 0.486 139 T N 1.519 116.092 114.554 0.031 0.000 2.903 139 T HA 0.035 4.385 4.350 -0.001 0.000 0.314 139 T C 1.284 176.004 174.700 0.032 0.000 1.078 139 T CA 0.235 62.346 62.100 0.020 0.000 1.114 139 T CB 0.914 69.782 68.868 0.001 0.000 0.987 139 T HN 0.305 8.545 8.240 -0.000 0.000 0.548 140 R N 1.591 122.105 120.500 0.023 0.000 2.081 140 R HA -0.113 4.227 4.340 -0.001 0.000 0.235 140 R C 2.163 178.482 176.300 0.031 0.000 1.131 140 R CA 1.733 57.850 56.100 0.028 0.000 0.960 140 R CB -0.134 30.177 30.300 0.017 0.000 0.856 140 R HN 0.831 9.101 8.270 -0.000 0.000 0.436 141 E N -0.016 120.193 120.200 0.015 0.000 2.153 141 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 141 E C 1.140 177.749 176.600 0.015 0.000 0.988 141 E CA 1.374 57.778 56.400 0.007 0.000 0.811 141 E CB 0.093 29.781 29.700 -0.019 0.000 0.746 141 E HN 0.352 8.712 8.360 -0.000 0.000 0.466 142 D N 0.316 120.726 120.400 0.017 0.000 2.084 142 D HA -0.125 4.515 4.640 -0.001 0.000 0.196 142 D C 1.716 178.106 176.300 0.150 0.000 0.985 142 D CA 0.683 54.702 54.000 0.031 0.000 0.826 142 D CB -0.398 40.433 40.800 0.053 0.000 0.978 142 D HN 0.165 8.535 8.370 -0.000 0.000 0.456 143 N N 0.857 119.657 118.700 0.166 0.000 2.104 143 N HA -0.118 4.621 4.740 -0.001 0.000 0.190 143 N C 2.084 177.696 175.510 0.170 0.000 1.024 143 N CA 0.323 53.501 53.050 0.214 0.000 0.853 143 N CB -0.273 38.293 38.487 0.131 0.000 1.008 143 N HN 0.212 8.592 8.380 -0.000 0.000 0.424 144 L N 0.366 121.651 121.223 0.104 0.000 2.012 144 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 144 L C 2.464 179.368 176.870 0.057 0.000 1.073 144 L CA 1.475 56.355 54.840 0.068 0.000 0.748 144 L CB -0.510 41.578 42.059 0.048 0.000 0.891 144 L HN 0.199 8.429 8.230 -0.000 0.000 0.431 145 Y N -0.081 120.165 120.300 -0.090 0.000 2.151 145 Y HA -0.353 4.197 4.550 0.000 0.000 0.284 145 Y C 2.089 177.889 175.900 -0.167 0.000 1.166 145 Y CA 1.988 59.979 58.100 -0.180 0.000 1.163 145 Y CB -0.516 37.743 38.460 -0.335 0.000 0.974 145 Y HN 0.074 8.354 8.280 -0.000 0.000 0.511 146 F N 0.830 120.688 119.950 -0.153 0.000 2.098 146 F HA -0.095 4.431 4.527 -0.001 0.000 0.294 146 F C 2.387 177.878 175.800 -0.515 0.000 1.107 146 F CA 1.609 59.376 58.000 -0.387 0.000 1.234 146 F CB -0.857 38.051 39.000 -0.153 0.000 1.002 146 F HN 0.005 8.305 8.300 -0.000 0.000 0.472 147 E N 0.334 120.501 120.200 -0.055 0.000 2.267 147 E HA -0.233 4.117 4.350 -0.001 0.000 0.197 147 E C 2.022 178.606 176.600 -0.028 0.000 0.998 147 E CA 0.900 57.276 56.400 -0.041 0.000 0.830 147 E CB -0.463 29.263 29.700 0.042 0.000 0.751 147 E HN 0.580 8.940 8.360 -0.000 0.000 0.491 148 E N 0.493 120.654 120.200 -0.066 0.000 2.076 148 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 148 E C 2.201 178.777 176.600 -0.041 0.000 0.979 148 E CA 0.322 56.695 56.400 -0.044 0.000 0.807 148 E CB 0.057 29.722 29.700 -0.059 0.000 0.761 148 E HN 0.198 8.558 8.360 -0.000 0.000 0.454 149 I N 0.558 121.063 120.570 -0.108 0.000 2.142 149 I HA -0.301 3.869 4.170 -0.001 0.000 0.240 149 I C 2.313 178.518 176.117 0.146 0.000 1.078 149 I CA 1.499 62.786 61.300 -0.022 0.000 1.343 149 I CB -0.487 37.475 38.000 -0.063 0.000 1.046 149 I HN 0.250 8.460 8.210 -0.000 0.000 0.405 150 H N 0.269 119.378 119.070 0.065 0.000 2.319 150 H HA -0.229 4.327 4.556 -0.000 0.000 0.297 150 H C 2.348 177.703 175.328 0.045 0.000 1.097 150 H CA 1.439 57.531 56.048 0.073 0.000 1.285 150 H CB -0.207 29.604 29.762 0.081 0.000 1.368 150 H HN 0.322 8.602 8.280 -0.000 0.000 0.495 151 R N 1.040 121.635 120.500 0.158 0.000 2.237 151 R HA -0.025 4.315 4.340 -0.001 0.000 0.219 151 R C 1.313 177.639 176.300 0.043 0.000 1.080 151 R CA 1.272 57.417 56.100 0.075 0.000 0.995 151 R CB -0.004 30.323 30.300 0.046 0.000 0.875 151 R HN 0.046 8.316 8.270 -0.000 0.000 0.462 152 S N 1.373 117.107 115.700 0.057 0.000 2.603 152 S HA 0.010 4.480 4.470 -0.001 0.000 0.220 152 S C 0.139 174.760 174.600 0.036 0.000 0.967 152 S CA 0.444 58.668 58.200 0.040 0.000 0.920 152 S CB 0.056 63.278 63.200 0.036 0.000 0.773 152 S HN 0.656 8.966 8.310 -0.000 0.000 0.529 153 N N -0.340 118.394 118.700 0.057 0.000 2.527 153 N HA 0.256 4.996 4.740 -0.001 0.000 0.279 153 N C -0.047 175.505 175.510 0.070 0.000 1.571 153 N CA 0.009 53.106 53.050 0.079 0.000 0.858 153 N CB -0.224 38.343 38.487 0.134 0.000 1.422 153 N HN 0.071 8.451 8.380 -0.000 0.000 0.491 154 A N 0.349 123.170 122.820 0.001 0.000 2.303 154 A HA 0.109 4.428 4.320 -0.001 0.000 0.217 154 A C 1.935 179.444 177.584 -0.125 0.000 1.205 154 A CA 0.142 52.154 52.037 -0.041 0.000 0.875 154 A CB -0.089 18.894 19.000 -0.028 0.000 0.910 154 A HN 0.282 8.432 8.150 -0.000 0.000 0.501 155 K N -0.208 120.075 120.400 -0.195 0.000 2.059 155 K HA -0.227 4.092 4.320 -0.001 0.000 0.212 155 K C 1.388 177.733 176.600 -0.425 0.000 1.050 155 K CA 2.196 58.262 56.287 -0.367 0.000 0.927 155 K CB -0.361 31.791 32.500 -0.580 0.000 0.714 155 K HN 0.473 8.723 8.250 -0.000 0.000 0.447 156 F N 0.452 120.310 119.950 -0.154 0.000 2.163 156 F HA -0.090 4.437 4.527 -0.001 0.000 0.297 156 F C 2.579 178.178 175.800 -0.335 0.000 1.094 156 F CA 0.855 58.723 58.000 -0.220 0.000 1.290 156 F CB -0.433 38.595 39.000 0.047 0.000 1.017 156 F HN 0.141 8.441 8.300 -0.000 0.000 0.483 157 A N 0.747 123.314 122.820 -0.420 0.000 1.908 157 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 157 A C 2.187 179.670 177.584 -0.169 0.000 1.181 157 A CA 1.745 53.523 52.037 -0.431 0.000 0.627 157 A CB -1.134 17.640 19.000 -0.377 0.000 0.818 157 A HN 0.411 8.561 8.150 -0.000 0.000 0.445 158 I N -1.197 119.281 120.570 -0.152 0.000 2.127 158 I HA -0.306 3.863 4.170 -0.001 0.000 0.241 158 I C 2.764 178.822 176.117 -0.098 0.000 1.075 158 I CA 1.889 63.121 61.300 -0.113 0.000 1.334 158 I CB -0.478 37.448 38.000 -0.124 0.000 1.040 158 I HN 0.336 8.546 8.210 -0.000 0.000 0.405 159 Q N 0.621 120.345 119.800 -0.127 0.000 2.197 159 Q HA -0.227 4.113 4.340 -0.001 0.000 0.207 159 Q C 1.993 178.037 176.000 0.073 0.000 0.984 159 Q CA 1.687 57.428 55.803 -0.103 0.000 0.869 159 Q CB -0.241 28.317 28.738 -0.300 0.000 0.906 159 Q HN 0.390 8.660 8.270 -0.000 0.000 0.426 160 L N -0.953 120.352 121.223 0.137 0.000 2.095 160 L HA -0.076 4.263 4.340 -0.001 0.000 0.204 160 L C 1.677 178.603 176.870 0.094 0.000 1.080 160 L CA 1.238 56.201 54.840 0.205 0.000 0.759 160 L CB -0.529 41.657 42.059 0.211 0.000 0.914 160 L HN 0.258 8.488 8.230 -0.000 0.000 0.439 161 L N -0.486 120.761 121.223 0.039 0.000 1.989 161 L HA -0.230 4.109 4.340 -0.001 0.000 0.211 161 L C 2.549 179.466 176.870 0.078 0.000 1.071 161 L CA 1.892 56.754 54.840 0.037 0.000 0.749 161 L CB -1.502 40.564 42.059 0.011 0.000 0.890 161 L HN 0.307 8.537 8.230 -0.000 0.000 0.431 162 L N -0.812 120.423 121.223 0.019 0.000 2.187 162 L HA -0.227 4.113 4.340 -0.001 0.000 0.213 162 L C 2.350 179.222 176.870 0.004 0.000 1.100 162 L CA 1.134 55.939 54.840 -0.058 0.000 0.765 162 L CB -0.422 41.444 42.059 -0.322 0.000 0.904 162 L HN 0.388 8.618 8.230 -0.000 0.000 0.437 163 E N -0.707 119.523 120.200 0.051 0.000 2.127 163 E HA -0.071 4.279 4.350 -0.001 0.000 0.191 163 E C 1.654 178.304 176.600 0.084 0.000 0.964 163 E CA 0.442 56.887 56.400 0.075 0.000 0.832 163 E CB 0.302 30.069 29.700 0.113 0.000 0.790 163 E HN 0.309 8.669 8.360 -0.000 0.000 0.465 164 E N 0.019 120.270 120.200 0.085 0.000 2.511 164 E HA 0.190 4.540 4.350 -0.001 0.000 0.209 164 E C -0.084 176.556 176.600 0.067 0.000 0.986 164 E CA -0.090 56.350 56.400 0.068 0.000 0.974 164 E CB 0.924 30.651 29.700 0.046 0.000 1.030 164 E HN 0.058 8.418 8.360 -0.000 0.000 0.490 165 A N 1.779 124.651 122.820 0.088 0.000 2.520 165 A HA 0.080 4.400 4.320 -0.001 0.000 0.245 165 A C 0.126 177.735 177.584 0.043 0.000 1.072 165 A CA 0.336 52.395 52.037 0.037 0.000 0.761 165 A CB -0.001 19.006 19.000 0.012 0.000 1.004 165 A HN -0.079 8.071 8.150 -0.000 0.000 0.499 166 K N 3.165 123.548 120.400 -0.029 0.000 2.354 166 K HA 0.432 4.752 4.320 -0.001 0.000 0.257 166 K C -0.489 176.043 176.600 -0.113 0.000 1.062 166 K CA 0.007 56.283 56.287 -0.018 0.000 0.971 166 K CB 0.676 33.177 32.500 0.001 0.000 1.305 166 K HN 0.679 8.929 8.250 -0.000 0.000 0.449 167 L N 1.966 123.067 121.223 -0.203 0.000 3.069 167 L HA 0.102 4.442 4.340 -0.001 0.000 0.271 167 L C -0.433 176.360 176.870 -0.128 0.000 1.201 167 L CA -0.457 54.195 54.840 -0.312 0.000 1.015 167 L CB 0.146 41.730 42.059 -0.792 0.000 1.371 167 L HN 0.574 8.804 8.230 -0.000 0.000 0.574 168 D N 0.117 120.522 120.400 0.009 0.000 2.493 168 D HA 0.301 4.941 4.640 -0.001 0.000 0.240 168 D C 1.416 177.727 176.300 0.018 0.000 1.142 168 D CA 0.729 54.767 54.000 0.063 0.000 0.872 168 D CB 0.749 41.594 40.800 0.075 0.000 1.173 168 D HN 0.213 8.583 8.370 -0.000 0.000 0.467 169 G N 1.076 109.891 108.800 0.025 0.000 2.234 169 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.260 169 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.260 169 G C 0.309 175.201 174.900 -0.013 0.000 0.987 169 G CA 0.132 45.236 45.100 0.006 0.000 0.625 169 G HN 0.662 8.952 8.290 -0.000 0.000 0.532 170 V N 1.363 121.256 119.914 -0.034 0.000 2.508 170 V HA 0.503 4.623 4.120 -0.001 0.000 0.281 170 V C 1.251 177.320 176.094 -0.042 0.000 1.041 170 V CA 1.164 63.429 62.300 -0.060 0.000 1.016 170 V CB 1.512 33.265 31.823 -0.116 0.000 0.984 170 V HN 0.494 8.684 8.190 -0.000 0.000 0.478 171 K N 4.786 125.165 120.400 -0.036 0.000 2.273 171 K HA 0.249 4.568 4.320 -0.001 0.000 0.206 171 K C 0.435 177.017 176.600 -0.029 0.000 1.072 171 K CA 0.935 57.209 56.287 -0.022 0.000 0.953 171 K CB 0.407 32.898 32.500 -0.015 0.000 1.043 171 K HN 0.494 8.744 8.250 -0.000 0.000 0.477 172 K N 1.344 121.721 120.400 -0.039 0.000 2.449 172 K HA 0.269 4.588 4.320 -0.001 0.000 0.257 172 K C -0.956 175.608 176.600 -0.060 0.000 0.989 172 K CA -0.403 55.858 56.287 -0.043 0.000 0.916 172 K CB 1.593 34.072 32.500 -0.035 0.000 1.136 172 K HN 0.176 8.426 8.250 -0.000 0.000 0.439 173 M N 3.654 123.211 119.600 -0.073 0.000 2.444 173 M HA 0.424 4.903 4.480 -0.001 0.000 0.319 173 M C -1.035 175.199 176.300 -0.109 0.000 1.183 173 M CA -0.668 54.573 55.300 -0.098 0.000 1.032 173 M CB 0.880 33.411 32.600 -0.114 0.000 1.569 173 M HN 0.428 8.718 8.290 -0.000 0.000 0.468 174 I N 3.201 123.683 120.570 -0.146 0.000 2.420 174 I HA 0.221 4.391 4.170 -0.001 0.000 0.282 174 I C -0.965 174.990 176.117 -0.271 0.000 1.019 174 I CA -0.397 60.787 61.300 -0.194 0.000 1.130 174 I CB 1.179 39.057 38.000 -0.203 0.000 1.262 174 I HN 0.621 8.831 8.210 -0.000 0.000 0.454 175 D N 6.841 127.099 120.400 -0.236 0.000 2.365 175 D HA 0.147 4.787 4.640 -0.001 0.000 0.237 175 D C -0.345 175.765 176.300 -0.316 0.000 1.190 175 D CA -0.168 53.684 54.000 -0.246 0.000 0.867 175 D CB 1.149 41.858 40.800 -0.152 0.000 1.050 175 D HN 0.111 8.481 8.370 -0.000 0.000 0.491 176 V N 4.020 123.651 119.914 -0.471 0.000 2.387 176 V HA 0.374 4.493 4.120 -0.001 0.000 0.260 176 V C 1.418 177.356 176.094 -0.259 0.000 1.054 176 V CA 0.266 62.249 62.300 -0.528 0.000 0.967 176 V CB 0.485 31.742 31.823 -0.942 0.000 1.036 176 V HN 0.856 9.046 8.190 -0.000 0.000 0.481 177 G N 4.339 113.029 108.800 -0.183 0.000 2.256 177 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.272 177 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.272 177 G C 0.797 175.673 174.900 -0.040 0.000 1.076 177 G CA 0.009 45.067 45.100 -0.071 0.000 0.882 177 G HN 1.236 9.526 8.290 -0.000 0.000 0.497 178 G N -0.363 108.398 108.800 -0.066 0.000 2.990 178 G HA2 0.508 4.467 3.960 -0.001 0.000 0.206 178 G HA3 0.508 4.467 3.960 -0.001 0.000 0.206 178 G C 1.644 176.548 174.900 0.008 0.000 1.169 178 G CA 1.401 46.475 45.100 -0.043 0.000 0.819 178 G HN 2.142 10.432 8.290 -0.000 0.000 0.517 179 G N 0.234 109.064 108.800 0.050 0.000 2.575 179 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.267 179 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.267 179 G C 0.974 175.911 174.900 0.062 0.000 1.264 179 G CA 0.094 45.255 45.100 0.102 0.000 0.935 179 G HN 0.582 8.872 8.290 -0.000 0.000 0.568 180 I N 1.847 122.455 120.570 0.064 0.000 3.444 180 I HA 0.317 4.486 4.170 -0.001 0.000 0.287 180 I C 2.006 178.135 176.117 0.020 0.000 1.302 180 I CA 1.785 63.108 61.300 0.039 0.000 1.368 180 I CB -0.496 37.526 38.000 0.037 0.000 1.048 180 I HN 2.018 10.229 8.210 -0.000 0.000 0.487 181 G N 0.335 109.144 108.800 0.015 0.000 2.176 181 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.232 181 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.232 181 G C 0.483 175.383 174.900 -0.000 0.000 0.986 181 G CA 0.396 45.496 45.100 0.001 0.000 0.643 181 G HN 0.382 8.672 8.290 -0.000 0.000 0.522 182 D N 0.412 120.814 120.400 0.003 0.000 2.144 182 D HA -0.019 4.621 4.640 -0.001 0.000 0.199 182 D C 2.638 178.932 176.300 -0.011 0.000 0.984 182 D CA 1.058 55.055 54.000 -0.005 0.000 0.834 182 D CB 0.012 40.807 40.800 -0.008 0.000 0.955 182 D HN 0.417 8.787 8.370 -0.000 0.000 0.465 183 I N 0.486 121.048 120.570 -0.013 0.000 2.076 183 I HA -0.224 3.945 4.170 -0.001 0.000 0.237 183 I C 2.321 178.432 176.117 -0.010 0.000 1.059 183 I CA 1.190 62.476 61.300 -0.022 0.000 1.317 183 I CB -1.358 36.625 38.000 -0.029 0.000 1.037 183 I HN -0.068 8.142 8.210 -0.000 0.000 0.398 184 S N 0.769 116.461 115.700 -0.012 0.000 2.400 184 S HA -0.146 4.323 4.470 -0.001 0.000 0.232 184 S C 2.179 176.792 174.600 0.021 0.000 1.025 184 S CA 1.358 59.556 58.200 -0.004 0.000 0.993 184 S CB -0.353 62.833 63.200 -0.023 0.000 0.808 184 S HN 0.572 8.882 8.310 -0.000 0.000 0.478 185 A N 1.434 124.263 122.820 0.014 0.000 1.902 185 A HA 0.084 4.403 4.320 -0.001 0.000 0.217 185 A C 2.361 179.972 177.584 0.045 0.000 1.181 185 A CA 1.723 53.774 52.037 0.023 0.000 0.623 185 A CB -1.092 17.914 19.000 0.010 0.000 0.818 185 A HN 0.526 8.676 8.150 -0.000 0.000 0.443 186 A N -0.327 122.517 122.820 0.039 0.000 1.883 186 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 186 A C 2.267 179.929 177.584 0.129 0.000 1.186 186 A CA 1.950 54.023 52.037 0.060 0.000 0.624 186 A CB -0.592 18.412 19.000 0.005 0.000 0.822 186 A HN 0.547 8.697 8.150 -0.000 0.000 0.444 187 M N -0.867 118.811 119.600 0.131 0.000 2.159 187 M HA -0.102 4.378 4.480 -0.001 0.000 0.263 187 M C 1.781 178.277 176.300 0.326 0.000 1.063 187 M CA 0.898 56.361 55.300 0.271 0.000 1.110 187 M CB -0.413 32.314 32.600 0.211 0.000 1.374 187 M HN 0.248 8.538 8.290 -0.000 0.000 0.411 188 L N 0.667 121.999 121.223 0.181 0.000 2.127 188 L HA -0.172 4.167 4.340 -0.001 0.000 0.211 188 L C 2.164 179.100 176.870 0.109 0.000 1.089 188 L CA 1.804 56.729 54.840 0.142 0.000 0.757 188 L CB -1.139 40.963 42.059 0.072 0.000 0.899 188 L HN 0.309 8.539 8.230 -0.000 0.000 0.434 189 K N -1.553 118.907 120.400 0.101 0.000 2.288 189 K HA -0.084 4.236 4.320 -0.001 0.000 0.201 189 K C 1.471 177.987 176.600 -0.140 0.000 1.048 189 K CA 0.680 56.972 56.287 0.009 0.000 0.956 189 K CB 0.071 32.598 32.500 0.044 0.000 0.746 189 K HN 0.505 8.755 8.250 -0.000 0.000 0.461 190 H N -1.934 117.041 119.070 -0.158 0.000 2.652 190 H HA 0.109 4.665 4.556 -0.001 0.000 0.274 190 H C -0.516 174.333 175.328 -0.799 0.000 1.021 190 H CA 0.187 55.959 56.048 -0.461 0.000 1.187 190 H CB 0.620 30.034 29.762 -0.580 0.000 1.505 190 H HN -0.018 8.262 8.280 -0.000 0.000 0.530 191 F N 0.593 120.589 119.950 0.075 0.000 2.686 191 F HA 0.284 4.810 4.527 -0.001 0.000 0.365 191 F C -1.942 173.864 175.800 0.011 0.000 1.196 191 F CA -1.966 56.056 58.000 0.037 0.000 1.198 191 F CB 1.573 40.594 39.000 0.035 0.000 1.454 191 F HN -0.139 8.161 8.300 -0.000 0.000 0.539 192 P HA -0.229 4.191 4.420 -0.000 0.000 0.218 192 P C 0.783 178.119 177.300 0.059 0.000 1.152 192 P CA 1.727 64.853 63.100 0.043 0.000 0.857 192 P CB 0.240 31.945 31.700 0.007 0.000 0.787 193 E N -1.782 118.468 120.200 0.084 0.000 2.474 193 E HA 0.070 4.420 4.350 -0.001 0.000 0.195 193 E C 0.343 176.975 176.600 0.053 0.000 1.039 193 E CA -0.417 56.018 56.400 0.057 0.000 0.881 193 E CB -0.056 29.674 29.700 0.049 0.000 0.970 193 E HN 0.153 8.513 8.360 -0.000 0.000 0.486 194 L N 1.703 122.975 121.223 0.083 0.000 2.395 194 L HA 0.228 4.567 4.340 -0.001 0.000 0.269 194 L C -0.447 176.439 176.870 0.027 0.000 1.133 194 L CA 0.315 55.183 54.840 0.047 0.000 0.812 194 L CB 1.057 43.159 42.059 0.071 0.000 1.125 194 L HN -0.175 8.055 8.230 -0.000 0.000 0.452 195 D N 2.397 122.796 120.400 -0.003 0.000 2.788 195 D HA 0.242 4.882 4.640 -0.001 0.000 0.247 195 D C -1.725 174.558 176.300 -0.028 0.000 1.236 195 D CA -0.187 53.807 54.000 -0.010 0.000 0.898 195 D CB 1.917 42.710 40.800 -0.012 0.000 1.401 195 D HN 0.490 8.860 8.370 -0.000 0.000 0.549 196 S N 2.188 117.871 115.700 -0.028 0.000 2.454 196 S HA 0.564 5.034 4.470 -0.001 0.000 0.306 196 S C -0.794 173.776 174.600 -0.051 0.000 1.100 196 S CA -0.317 57.854 58.200 -0.049 0.000 1.087 196 S CB 1.221 64.392 63.200 -0.047 0.000 1.019 196 S HN 0.373 8.683 8.310 -0.000 0.000 0.480 197 T N 5.632 120.144 114.554 -0.069 0.000 2.842 197 T HA 0.430 4.780 4.350 -0.001 0.000 0.308 197 T C -0.141 174.501 174.700 -0.096 0.000 1.041 197 T CA -0.303 61.756 62.100 -0.069 0.000 0.964 197 T CB 0.042 68.872 68.868 -0.064 0.000 0.972 197 T HN 0.556 8.796 8.240 -0.000 0.000 0.460 198 I N 4.318 124.839 120.570 -0.082 0.000 2.416 198 I HA 0.254 4.424 4.170 -0.001 0.000 0.288 198 I C 0.153 176.208 176.117 -0.104 0.000 1.051 198 I CA -0.568 60.673 61.300 -0.098 0.000 1.375 198 I CB 0.714 38.676 38.000 -0.064 0.000 1.407 198 I HN 0.340 8.550 8.210 -0.000 0.000 0.516 199 L N 7.063 128.192 121.223 -0.156 0.000 2.290 199 L HA 0.439 4.779 4.340 -0.001 0.000 0.284 199 L C -0.166 176.643 176.870 -0.103 0.000 1.078 199 L CA -0.029 54.721 54.840 -0.150 0.000 0.815 199 L CB 0.610 42.511 42.059 -0.263 0.000 1.162 199 L HN 0.736 8.966 8.230 -0.000 0.000 0.435 200 N N 1.847 120.515 118.700 -0.054 0.000 3.020 200 N HA 0.433 5.173 4.740 -0.001 0.000 0.248 200 N C -1.182 174.328 175.510 -0.001 0.000 1.480 200 N CA -0.903 52.136 53.050 -0.019 0.000 0.874 200 N CB 1.480 39.965 38.487 -0.003 0.000 1.433 200 N HN 0.369 8.749 8.380 -0.000 0.000 0.530 201 L N 1.947 123.179 121.223 0.015 0.000 2.485 201 L HA 0.141 4.481 4.340 -0.001 0.000 0.275 201 L C -1.479 175.401 176.870 0.017 0.000 1.207 201 L CA -1.018 53.831 54.840 0.015 0.000 0.855 201 L CB 0.335 42.402 42.059 0.015 0.000 1.114 201 L HN 0.606 8.836 8.230 -0.000 0.000 0.485 202 P HA -0.194 4.226 4.420 -0.000 0.000 0.217 202 P C 1.279 178.590 177.300 0.018 0.000 1.158 202 P CA 1.521 64.629 63.100 0.014 0.000 0.887 202 P CB 0.124 31.831 31.700 0.013 0.000 0.792 203 G N -1.420 107.395 108.800 0.025 0.000 2.776 203 G HA2 0.020 3.980 3.960 -0.001 0.000 0.209 203 G HA3 0.020 3.980 3.960 -0.001 0.000 0.209 203 G C 1.209 176.133 174.900 0.039 0.000 1.145 203 G CA 0.671 45.790 45.100 0.032 0.000 0.791 203 G HN 0.379 8.669 8.290 -0.000 0.000 0.530 204 A N 0.095 122.937 122.820 0.037 0.000 2.259 204 A HA 0.366 4.686 4.320 -0.001 0.000 0.213 204 A C 2.039 179.638 177.584 0.025 0.000 1.209 204 A CA -0.025 52.036 52.037 0.040 0.000 0.910 204 A CB 0.149 19.179 19.000 0.050 0.000 0.946 204 A HN 0.191 8.341 8.150 -0.000 0.000 0.497 205 I N 1.248 121.828 120.570 0.016 0.000 2.208 205 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 205 I C 1.574 177.696 176.117 0.008 0.000 1.097 205 I CA 1.586 62.891 61.300 0.008 0.000 1.363 205 I CB -1.349 36.653 38.000 0.004 0.000 1.051 205 I HN 0.237 8.447 8.210 -0.000 0.000 0.413 206 D N 0.921 121.327 120.400 0.011 0.000 2.097 206 D HA -0.100 4.539 4.640 -0.001 0.000 0.197 206 D C 2.481 178.787 176.300 0.010 0.000 0.984 206 D CA 0.898 54.904 54.000 0.009 0.000 0.826 206 D CB -0.315 40.491 40.800 0.010 0.000 0.973 206 D HN 0.274 8.644 8.370 -0.000 0.000 0.460 207 L N 0.280 121.512 121.223 0.015 0.000 2.079 207 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 207 L C 2.468 179.346 176.870 0.013 0.000 1.081 207 L CA 0.608 55.459 54.840 0.017 0.000 0.752 207 L CB -0.407 41.668 42.059 0.027 0.000 0.896 207 L HN -0.032 8.198 8.230 -0.000 0.000 0.433 208 V N -0.021 119.900 119.914 0.012 0.000 2.244 208 V HA -0.236 3.884 4.120 -0.001 0.000 0.244 208 V C 2.231 178.326 176.094 0.001 0.000 1.042 208 V CA 1.829 64.133 62.300 0.006 0.000 1.006 208 V CB -0.595 31.229 31.823 0.002 0.000 0.641 208 V HN 0.480 8.670 8.190 -0.000 0.000 0.446 209 N N 0.217 118.917 118.700 0.000 0.000 2.149 209 N HA -0.193 4.547 4.740 -0.001 0.000 0.188 209 N C 1.789 177.298 175.510 -0.001 0.000 1.019 209 N CA 1.496 54.545 53.050 -0.002 0.000 0.857 209 N CB -0.280 38.206 38.487 -0.002 0.000 0.997 209 N HN 0.613 8.993 8.380 -0.000 0.000 0.426 210 E N 0.369 120.569 120.200 0.001 0.000 2.150 210 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 210 E C 1.532 178.131 176.600 -0.001 0.000 0.985 210 E CA 0.582 56.983 56.400 0.000 0.000 0.814 210 E CB -0.049 29.652 29.700 0.002 0.000 0.752 210 E HN 0.294 8.654 8.360 -0.000 0.000 0.466 211 N N 0.942 119.642 118.700 0.000 0.000 2.106 211 N HA -0.120 4.619 4.740 -0.001 0.000 0.188 211 N C 1.690 177.199 175.510 -0.003 0.000 1.029 211 N CA 1.535 54.585 53.050 -0.001 0.000 0.848 211 N CB -0.206 38.282 38.487 0.002 0.000 1.007 211 N HN 0.124 8.504 8.380 -0.000 0.000 0.423 212 A N 0.482 123.300 122.820 -0.002 0.000 1.917 212 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 212 A C 2.356 179.938 177.584 -0.004 0.000 1.182 212 A CA 2.219 54.254 52.037 -0.003 0.000 0.633 212 A CB -1.322 17.675 19.000 -0.004 0.000 0.819 212 A HN 0.453 8.603 8.150 -0.000 0.000 0.448 213 A N -0.334 122.484 122.820 -0.004 0.000 1.902 213 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 213 A C 1.927 179.508 177.584 -0.006 0.000 1.181 213 A CA 1.727 53.762 52.037 -0.005 0.000 0.623 213 A CB -0.565 18.432 19.000 -0.004 0.000 0.818 213 A HN 0.656 8.806 8.150 -0.000 0.000 0.443 214 E N -0.252 119.944 120.200 -0.006 0.000 2.077 214 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 214 E C 1.538 178.132 176.600 -0.009 0.000 0.989 214 E CA 1.277 57.672 56.400 -0.008 0.000 0.800 214 E CB -0.130 29.565 29.700 -0.009 0.000 0.746 214 E HN 0.547 8.907 8.360 -0.000 0.000 0.452 215 K N -0.200 120.195 120.400 -0.008 0.000 2.505 215 K HA 0.069 4.389 4.320 -0.001 0.000 0.192 215 K C 0.665 177.261 176.600 -0.007 0.000 1.025 215 K CA 0.373 56.655 56.287 -0.007 0.000 1.086 215 K CB 0.479 32.976 32.500 -0.004 0.000 0.840 215 K HN 0.217 8.467 8.250 -0.000 0.000 0.514 216 G N 1.682 110.478 108.800 -0.007 0.000 2.249 216 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.273 216 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.273 216 G C 0.363 175.260 174.900 -0.005 0.000 1.036 216 G CA 0.560 45.656 45.100 -0.007 0.000 0.824 216 G HN 0.365 8.655 8.290 -0.000 0.000 0.504 217 V N -4.618 115.294 119.914 -0.003 0.000 2.925 217 V HA 0.773 4.893 4.120 -0.001 0.000 0.361 217 V C 1.692 177.785 176.094 -0.002 0.000 1.361 217 V CA 0.624 62.924 62.300 -0.001 0.000 1.184 217 V CB -0.055 31.770 31.823 0.004 0.000 1.245 217 V HN 1.214 9.404 8.190 -0.000 0.000 0.575 218 A N 1.972 124.791 122.820 -0.003 0.000 1.940 218 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 218 A C 1.885 179.466 177.584 -0.005 0.000 1.176 218 A CA 2.294 54.329 52.037 -0.004 0.000 0.631 218 A CB -0.564 18.433 19.000 -0.004 0.000 0.814 218 A HN 0.816 8.966 8.150 -0.000 0.000 0.446 219 D N -1.087 119.311 120.400 -0.004 0.000 2.348 219 D HA -0.122 4.517 4.640 -0.001 0.000 0.216 219 D C 1.546 177.844 176.300 -0.003 0.000 0.970 219 D CA 0.903 54.901 54.000 -0.004 0.000 0.889 219 D CB -0.191 40.607 40.800 -0.003 0.000 0.912 219 D HN 0.557 8.927 8.370 -0.000 0.000 0.524 220 R N -1.001 119.498 120.500 -0.002 0.000 2.469 220 R HA 0.339 4.678 4.340 -0.001 0.000 0.250 220 R C 0.498 176.795 176.300 -0.004 0.000 0.909 220 R CA -0.175 55.925 56.100 -0.001 0.000 1.050 220 R CB 1.053 31.357 30.300 0.007 0.000 1.256 220 R HN 0.105 8.375 8.270 -0.000 0.000 0.550 221 M N 1.649 121.245 119.600 -0.006 0.000 2.393 221 M HA 0.440 4.920 4.480 -0.001 0.000 0.299 221 M C -1.531 174.761 176.300 -0.013 0.000 1.103 221 M CA -0.639 54.655 55.300 -0.011 0.000 0.910 221 M CB 1.866 34.462 32.600 -0.007 0.000 1.659 221 M HN -0.040 8.250 8.290 -0.000 0.000 0.445 222 R N 2.510 122.998 120.500 -0.019 0.000 2.716 222 R HA 0.773 5.112 4.340 -0.001 0.000 0.271 222 R C -1.268 175.017 176.300 -0.024 0.000 1.028 222 R CA -1.054 55.035 56.100 -0.018 0.000 0.883 222 R CB 1.116 31.406 30.300 -0.016 0.000 1.250 222 R HN 0.760 9.030 8.270 -0.000 0.000 0.465 223 G N 0.822 109.611 108.800 -0.019 0.000 2.437 223 G HA2 0.658 4.618 3.960 -0.001 0.000 0.319 223 G HA3 0.658 4.618 3.960 -0.001 0.000 0.319 223 G C -1.079 173.807 174.900 -0.022 0.000 1.158 223 G CA -1.016 44.072 45.100 -0.021 0.000 0.899 223 G HN 0.625 8.915 8.290 -0.000 0.000 0.502 224 I N 0.323 120.876 120.570 -0.027 0.000 2.649 224 I HA 0.554 4.724 4.170 -0.001 0.000 0.289 224 I C -0.111 175.994 176.117 -0.020 0.000 1.222 224 I CA -1.015 60.272 61.300 -0.022 0.000 1.046 224 I CB 1.773 39.755 38.000 -0.029 0.000 1.272 224 I HN 0.660 8.870 8.210 -0.000 0.000 0.425 225 A N 7.401 130.217 122.820 -0.006 0.000 2.410 225 A HA 0.622 4.941 4.320 -0.001 0.000 0.292 225 A C -0.930 176.660 177.584 0.009 0.000 1.232 225 A CA -0.046 51.992 52.037 0.002 0.000 0.893 225 A CB 0.008 19.013 19.000 0.008 0.000 1.131 225 A HN 0.511 8.661 8.150 -0.000 0.000 0.530 226 V N 3.331 123.251 119.914 0.010 0.000 2.697 226 V HA 0.115 4.234 4.120 -0.001 0.000 0.300 226 V C -0.666 175.457 176.094 0.048 0.000 1.115 226 V CA -0.827 61.494 62.300 0.034 0.000 0.912 226 V CB 2.004 33.846 31.823 0.031 0.000 1.024 226 V HN 0.982 9.172 8.190 -0.000 0.000 0.431 227 D N 3.400 123.851 120.400 0.084 0.000 2.412 227 D HA 0.142 4.782 4.640 -0.001 0.000 0.257 227 D C 1.532 177.921 176.300 0.149 0.000 1.217 227 D CA 0.106 54.177 54.000 0.119 0.000 0.897 227 D CB 0.813 41.697 40.800 0.140 0.000 1.132 227 D HN 0.622 8.992 8.370 -0.000 0.000 0.493 228 I N 1.089 121.694 120.570 0.059 0.000 2.567 228 I HA -0.213 3.957 4.170 -0.001 0.000 0.257 228 I C 0.570 176.707 176.117 0.032 0.000 1.184 228 I CA 0.956 62.254 61.300 -0.004 0.000 1.451 228 I CB -0.401 37.426 38.000 -0.289 0.000 1.089 228 I HN 0.425 8.635 8.210 -0.000 0.000 0.441 229 Y N 1.654 122.076 120.300 0.203 0.000 2.314 229 Y HA 0.185 4.735 4.550 -0.001 0.000 0.294 229 Y C 2.513 178.474 175.900 0.101 0.000 1.139 229 Y CA 0.563 58.753 58.100 0.150 0.000 1.162 229 Y CB -0.289 38.229 38.460 0.097 0.000 1.121 229 Y HN -0.103 8.177 8.280 -0.000 0.000 0.529 230 K N 0.565 121.120 120.400 0.259 0.000 2.167 230 K HA -0.006 4.314 4.320 -0.001 0.000 0.203 230 K C 0.169 176.828 176.600 0.099 0.000 1.052 230 K CA 0.829 57.204 56.287 0.147 0.000 0.956 230 K CB 0.005 32.578 32.500 0.122 0.000 0.735 230 K HN 0.351 8.601 8.250 -0.000 0.000 0.451 231 E N 1.063 121.334 120.200 0.119 0.000 2.250 231 E HA 0.140 4.489 4.350 -0.001 0.000 0.269 231 E C -0.597 176.021 176.600 0.030 0.000 1.018 231 E CA -0.597 55.856 56.400 0.088 0.000 0.873 231 E CB 1.619 31.389 29.700 0.118 0.000 1.134 231 E HN 0.053 8.413 8.360 -0.000 0.000 0.403 232 S N 0.771 116.468 115.700 -0.005 0.000 2.586 232 S HA 0.291 4.760 4.470 -0.001 0.000 0.274 232 S C -0.511 174.131 174.600 0.070 0.000 1.281 232 S CA -0.765 57.372 58.200 -0.105 0.000 1.035 232 S CB 0.288 63.456 63.200 -0.052 0.000 0.962 232 S HN 0.281 8.591 8.310 -0.000 0.000 0.512 233 Y N 0.990 121.298 120.300 0.013 0.000 2.326 233 Y HA 0.527 5.077 4.550 -0.001 0.000 0.324 233 Y C -1.955 173.935 175.900 -0.017 0.000 1.291 233 Y CA -2.589 55.503 58.100 -0.015 0.000 1.348 233 Y CB -0.843 37.595 38.460 -0.037 0.000 1.294 233 Y HN 0.484 8.764 8.280 -0.000 0.000 0.525 234 P HA 0.088 4.508 4.420 -0.000 0.000 0.274 234 P C -0.534 176.794 177.300 0.047 0.000 1.256 234 P CA -0.646 62.492 63.100 0.063 0.000 0.795 234 P CB 0.453 32.169 31.700 0.026 0.000 1.038 235 E N 0.696 120.908 120.200 0.019 0.000 2.415 235 E HA 0.376 4.726 4.350 -0.001 0.000 0.262 235 E C -0.716 175.878 176.600 -0.010 0.000 1.038 235 E CA -0.272 56.129 56.400 0.001 0.000 0.921 235 E CB 0.174 29.868 29.700 -0.010 0.000 0.950 235 E HN 0.457 8.817 8.360 -0.000 0.000 0.438 236 A N 2.280 125.087 122.820 -0.021 0.000 2.605 236 A HA 0.284 4.604 4.320 -0.001 0.000 0.294 236 A C -0.309 177.248 177.584 -0.045 0.000 1.062 236 A CA -0.653 51.362 52.037 -0.035 0.000 0.682 236 A CB 1.250 20.224 19.000 -0.043 0.000 1.278 236 A HN 0.529 8.679 8.150 -0.000 0.000 0.410 237 D N 0.367 120.737 120.400 -0.051 0.000 2.347 237 D HA 0.362 5.002 4.640 -0.001 0.000 0.213 237 D C 0.693 176.958 176.300 -0.058 0.000 0.985 237 D CA 1.817 55.785 54.000 -0.054 0.000 0.879 237 D CB 0.581 41.351 40.800 -0.051 0.000 0.919 237 D HN 0.913 9.283 8.370 -0.000 0.000 0.526 238 A N -0.188 122.593 122.820 -0.065 0.000 2.606 238 A HA 0.578 4.898 4.320 -0.001 0.000 0.293 238 A C -1.436 176.096 177.584 -0.087 0.000 1.082 238 A CA -0.558 51.436 52.037 -0.071 0.000 0.685 238 A CB 1.822 20.760 19.000 -0.102 0.000 1.284 238 A HN -0.115 8.035 8.150 -0.000 0.000 0.408 239 V N 1.510 121.371 119.914 -0.089 0.000 2.569 239 V HA 0.557 4.676 4.120 -0.001 0.000 0.301 239 V C -1.187 174.776 176.094 -0.218 0.000 1.044 239 V CA -0.364 61.834 62.300 -0.169 0.000 0.874 239 V CB 1.388 33.155 31.823 -0.094 0.000 1.002 239 V HN 0.913 9.103 8.190 -0.000 0.000 0.424 240 L N 5.286 126.320 121.223 -0.315 0.000 2.313 240 L HA 0.708 5.047 4.340 -0.001 0.000 0.283 240 L C -1.277 175.383 176.870 -0.350 0.000 1.013 240 L CA 0.015 54.708 54.840 -0.244 0.000 0.816 240 L CB 1.281 43.238 42.059 -0.170 0.000 1.236 240 L HN 0.479 8.709 8.230 -0.000 0.000 0.419 241 F N 5.173 125.067 119.950 -0.093 0.000 2.310 241 F HA 0.330 4.856 4.527 -0.001 0.000 0.365 241 F C 0.131 175.891 175.800 -0.066 0.000 1.080 241 F CA -0.329 57.620 58.000 -0.085 0.000 1.187 241 F CB 0.943 39.898 39.000 -0.076 0.000 1.465 241 F HN 0.489 8.789 8.300 -0.000 0.000 0.496 242 C N 5.002 124.345 119.300 0.072 0.000 2.303 242 C HA 0.436 4.895 4.460 -0.001 0.000 0.341 242 C C 1.138 176.177 174.990 0.082 0.000 1.244 242 C CA -0.530 58.516 59.018 0.046 0.000 1.765 242 C CB -1.019 26.715 27.740 -0.010 0.000 2.379 242 C HN 0.965 9.195 8.230 -0.000 0.000 0.530 243 R N 3.724 124.302 120.500 0.129 0.000 3.516 243 R HA -0.209 4.131 4.340 -0.001 0.000 0.271 243 R C 0.166 176.658 176.300 0.321 0.000 1.098 243 R CA 0.991 57.240 56.100 0.249 0.000 0.732 243 R CB -1.808 28.554 30.300 0.103 0.000 1.152 243 R HN 0.818 9.088 8.270 -0.000 0.000 0.455 244 I N -1.244 119.445 120.570 0.197 0.000 3.132 244 I HA -0.070 4.100 4.170 -0.001 0.000 0.255 244 I C 1.676 177.704 176.117 -0.149 0.000 1.118 244 I CA 0.427 61.749 61.300 0.037 0.000 1.463 244 I CB -0.063 38.018 38.000 0.135 0.000 1.356 244 I HN -0.006 8.204 8.210 -0.000 0.000 0.463 245 L N 0.517 121.704 121.223 -0.060 0.000 2.591 245 L HA -0.018 4.322 4.340 -0.001 0.000 0.228 245 L C 1.968 178.816 176.870 -0.037 0.000 1.133 245 L CA 0.892 55.668 54.840 -0.107 0.000 0.880 245 L CB -1.183 40.772 42.059 -0.174 0.000 1.033 245 L HN 0.423 8.653 8.230 -0.000 0.000 0.450 246 Y N -3.871 116.399 120.300 -0.050 0.000 2.483 246 Y HA -0.056 4.494 4.550 -0.001 0.000 0.291 246 Y C 2.271 178.018 175.900 -0.254 0.000 1.143 246 Y CA 0.990 59.010 58.100 -0.134 0.000 1.289 246 Y CB -0.882 37.451 38.460 -0.212 0.000 0.983 246 Y HN 0.052 8.332 8.280 -0.000 0.000 0.556 247 S N -0.061 115.345 115.700 -0.490 0.000 2.460 247 S HA 0.419 4.889 4.470 -0.001 0.000 0.226 247 S C 1.317 175.819 174.600 -0.163 0.000 1.057 247 S CA 0.115 58.109 58.200 -0.344 0.000 0.948 247 S CB -0.547 62.476 63.200 -0.295 0.000 0.822 247 S HN 0.596 8.906 8.310 -0.000 0.000 0.512 248 A N 2.588 125.328 122.820 -0.133 0.000 2.386 248 A HA 0.445 4.765 4.320 -0.001 0.000 0.248 248 A C 0.215 177.758 177.584 -0.069 0.000 1.082 248 A CA -0.602 51.396 52.037 -0.064 0.000 0.789 248 A CB -0.162 18.822 19.000 -0.026 0.000 1.025 248 A HN 0.667 8.817 8.150 -0.000 0.000 0.490 249 N N 0.780 119.457 118.700 -0.039 0.000 2.329 249 N HA -0.023 4.716 4.740 -0.001 0.000 0.237 249 N C 0.311 175.781 175.510 -0.067 0.000 1.258 249 N CA 0.750 53.775 53.050 -0.042 0.000 0.866 249 N CB 0.180 38.658 38.487 -0.014 0.000 1.102 249 N HN 0.692 9.072 8.380 -0.000 0.000 0.440 250 E N -0.703 119.447 120.200 -0.083 0.000 2.204 250 E HA -0.313 4.036 4.350 -0.001 0.000 0.195 250 E C 1.366 177.935 176.600 -0.051 0.000 0.990 250 E CA 1.081 57.424 56.400 -0.096 0.000 0.821 250 E CB -0.055 29.587 29.700 -0.097 0.000 0.750 250 E HN 0.740 9.100 8.360 -0.000 0.000 0.477 251 Q N 1.490 121.271 119.800 -0.033 0.000 1.990 251 Q HA -0.151 4.188 4.340 -0.001 0.000 0.200 251 Q C 2.229 178.225 176.000 -0.006 0.000 0.980 251 Q CA 1.560 57.354 55.803 -0.015 0.000 0.832 251 Q CB -0.415 28.318 28.738 -0.009 0.000 0.897 251 Q HN 0.454 8.724 8.270 -0.000 0.000 0.427 252 L N -0.978 120.246 121.223 0.001 0.000 2.141 252 L HA -0.017 4.322 4.340 -0.001 0.000 0.209 252 L C 1.992 178.863 176.870 0.001 0.000 1.094 252 L CA 1.833 56.687 54.840 0.022 0.000 0.763 252 L CB -0.671 41.417 42.059 0.048 0.000 0.908 252 L HN 0.105 8.335 8.230 -0.000 0.000 0.437 253 S N 0.509 116.190 115.700 -0.030 0.000 2.383 253 S HA -0.161 4.309 4.470 -0.001 0.000 0.229 253 S C 1.815 176.382 174.600 -0.054 0.000 1.030 253 S CA 1.915 60.073 58.200 -0.070 0.000 1.002 253 S CB -0.534 62.642 63.200 -0.039 0.000 0.829 253 S HN 0.618 8.928 8.310 -0.000 0.000 0.467 254 T N 2.949 117.495 114.554 -0.013 0.000 2.614 254 T HA -0.013 4.336 4.350 -0.001 0.000 0.263 254 T C 1.748 176.468 174.700 0.033 0.000 1.055 254 T CA 0.988 63.099 62.100 0.017 0.000 1.162 254 T CB -0.475 68.400 68.868 0.011 0.000 0.863 254 T HN 0.215 8.455 8.240 -0.000 0.000 0.414 255 I N 1.135 121.719 120.570 0.023 0.000 2.315 255 I HA -0.173 3.997 4.170 -0.001 0.000 0.251 255 I C 1.934 178.072 176.117 0.035 0.000 1.125 255 I CA 1.639 62.956 61.300 0.027 0.000 1.392 255 I CB -0.588 37.427 38.000 0.025 0.000 1.065 255 I HN 0.249 8.459 8.210 -0.000 0.000 0.424 256 M N -0.187 119.430 119.600 0.028 0.000 2.098 256 M HA -0.181 4.298 4.480 -0.001 0.000 0.262 256 M C 2.467 178.875 176.300 0.179 0.000 1.072 256 M CA 1.398 56.735 55.300 0.062 0.000 1.133 256 M CB -1.618 30.883 32.600 -0.166 0.000 1.344 256 M HN 0.296 8.586 8.290 -0.000 0.000 0.414 257 C N 0.370 119.718 119.300 0.080 0.000 2.485 257 C HA -0.079 4.381 4.460 -0.001 0.000 0.283 257 C C 2.649 177.860 174.990 0.369 0.000 1.478 257 C CA 0.583 59.737 59.018 0.226 0.000 1.741 257 C CB -1.357 26.422 27.740 0.065 0.000 1.675 257 C HN 0.513 8.743 8.230 -0.000 0.000 0.573 258 K N 1.184 121.721 120.400 0.228 0.000 2.078 258 K HA -0.018 4.302 4.320 -0.001 0.000 0.203 258 K C 1.998 178.697 176.600 0.165 0.000 1.043 258 K CA 0.721 57.125 56.287 0.196 0.000 0.960 258 K CB -0.039 32.510 32.500 0.081 0.000 0.761 258 K HN 0.345 8.595 8.250 -0.000 0.000 0.448 259 K N 0.518 120.933 120.400 0.026 0.000 2.160 259 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 259 K C 2.055 178.657 176.600 0.003 0.000 1.047 259 K CA 1.339 57.517 56.287 -0.181 0.000 0.930 259 K CB -0.143 31.915 32.500 -0.737 0.000 0.720 259 K HN 0.181 8.431 8.250 -0.000 0.000 0.450 260 A N 0.993 123.962 122.820 0.248 0.000 1.873 260 A HA -0.148 4.172 4.320 -0.001 0.000 0.215 260 A C 1.996 179.773 177.584 0.322 0.000 1.186 260 A CA 1.084 53.345 52.037 0.374 0.000 0.616 260 A CB -0.597 18.720 19.000 0.529 0.000 0.823 260 A HN 0.285 8.435 8.150 -0.000 0.000 0.442 261 F N 0.986 121.074 119.950 0.230 0.000 2.074 261 F HA -0.128 4.399 4.527 -0.001 0.000 0.293 261 F C 1.867 177.667 175.800 0.001 0.000 1.116 261 F CA 2.027 60.063 58.000 0.061 0.000 1.212 261 F CB -0.138 38.809 39.000 -0.090 0.000 0.998 261 F HN 0.229 8.529 8.300 -0.000 0.000 0.471 262 D N 0.063 120.613 120.400 0.250 0.000 2.354 262 D HA -0.144 4.496 4.640 -0.001 0.000 0.216 262 D C 1.741 178.057 176.300 0.026 0.000 0.970 262 D CA 1.179 55.251 54.000 0.120 0.000 0.905 262 D CB -0.129 40.726 40.800 0.092 0.000 0.903 262 D HN 0.379 8.749 8.370 -0.000 0.000 0.508 263 A N -0.470 122.365 122.820 0.024 0.000 2.343 263 A HA 0.178 4.498 4.320 -0.001 0.000 0.223 263 A C 1.945 179.512 177.584 -0.029 0.000 1.214 263 A CA -0.196 51.848 52.037 0.011 0.000 0.900 263 A CB 0.146 19.183 19.000 0.063 0.000 0.942 263 A HN 0.046 8.196 8.150 -0.000 0.000 0.507 264 M N -1.288 118.258 119.600 -0.091 0.000 2.514 264 M HA 0.118 4.598 4.480 -0.001 0.000 0.258 264 M C 0.980 177.163 176.300 -0.196 0.000 1.119 264 M CA 0.304 55.519 55.300 -0.142 0.000 1.111 264 M CB 0.016 32.527 32.600 -0.149 0.000 1.390 264 M HN 0.474 8.764 8.290 -0.000 0.000 0.475 265 R N 1.152 121.514 120.500 -0.229 0.000 3.619 265 R HA -0.177 4.163 4.340 -0.001 0.000 0.573 265 R C -0.852 175.295 176.300 -0.255 0.000 0.241 265 R CA 1.271 57.252 56.100 -0.197 0.000 1.771 265 R CB -1.014 29.218 30.300 -0.113 0.000 0.954 265 R HN 0.368 8.638 8.270 -0.000 0.000 0.588 266 S N 0.143 115.736 115.700 -0.178 0.000 2.442 266 S HA 0.632 5.102 4.470 -0.001 0.000 0.297 266 S C 0.967 175.507 174.600 -0.099 0.000 1.131 266 S CA 0.145 58.249 58.200 -0.159 0.000 1.092 266 S CB 1.612 64.746 63.200 -0.110 0.000 0.998 266 S HN 1.748 10.058 8.310 -0.000 0.000 0.478 267 G N 1.968 110.716 108.800 -0.087 0.000 2.255 267 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.196 267 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.196 267 G C 0.455 175.330 174.900 -0.041 0.000 0.998 267 G CA -0.424 44.649 45.100 -0.045 0.000 0.656 267 G HN 1.307 9.597 8.290 -0.000 0.000 0.490 268 G N 0.676 109.434 108.800 -0.070 0.000 2.305 268 G HA2 0.432 4.392 3.960 -0.001 0.000 0.243 268 G HA3 0.432 4.392 3.960 -0.001 0.000 0.243 268 G C 0.221 175.122 174.900 0.002 0.000 1.288 268 G CA 0.013 45.081 45.100 -0.053 0.000 0.901 268 G HN 0.544 8.834 8.290 -0.000 0.000 0.516 269 R N 1.501 122.001 120.500 0.001 0.000 2.368 269 R HA 0.364 4.704 4.340 -0.001 0.000 0.302 269 R C -0.304 176.015 176.300 0.032 0.000 1.002 269 R CA -0.808 55.304 56.100 0.021 0.000 0.929 269 R CB 1.627 31.911 30.300 -0.026 0.000 1.073 269 R HN 0.370 8.640 8.270 -0.000 0.000 0.464 270 L N 4.881 126.140 121.223 0.059 0.000 2.317 270 L HA 0.527 4.867 4.340 -0.001 0.000 0.281 270 L C -1.630 175.218 176.870 -0.036 0.000 1.024 270 L CA -0.680 54.175 54.840 0.025 0.000 0.810 270 L CB 1.364 43.405 42.059 -0.030 0.000 1.240 270 L HN 0.497 8.727 8.230 -0.000 0.000 0.427 271 L N 5.872 127.076 121.223 -0.032 0.000 2.388 271 L HA 0.616 4.955 4.340 -0.001 0.000 0.264 271 L C -0.551 176.310 176.870 -0.014 0.000 0.998 271 L CA -0.227 54.583 54.840 -0.050 0.000 0.817 271 L CB 2.172 44.191 42.059 -0.066 0.000 1.338 271 L HN 0.437 8.667 8.230 -0.000 0.000 0.414 272 I N 3.749 124.276 120.570 -0.072 0.000 2.529 272 I HA 0.275 4.444 4.170 -0.001 0.000 0.284 272 I C -1.430 174.633 176.117 -0.091 0.000 1.088 272 I CA -0.378 60.870 61.300 -0.086 0.000 1.062 272 I CB 2.008 39.821 38.000 -0.311 0.000 1.218 272 I HN 0.283 8.493 8.210 -0.000 0.000 0.442 273 L N 6.379 127.590 121.223 -0.020 0.000 2.301 273 L HA 0.552 4.892 4.340 -0.001 0.000 0.278 273 L C -0.711 176.183 176.870 0.039 0.000 1.022 273 L CA 0.331 55.169 54.840 -0.004 0.000 0.854 273 L CB 0.667 42.718 42.059 -0.015 0.000 1.226 273 L HN 0.536 8.766 8.230 -0.000 0.000 0.429 274 D N 3.830 124.258 120.400 0.046 0.000 2.487 274 D HA 0.472 5.112 4.640 -0.001 0.000 0.262 274 D C 0.112 176.435 176.300 0.037 0.000 1.130 274 D CA -0.403 53.629 54.000 0.053 0.000 1.038 274 D CB 1.649 42.504 40.800 0.091 0.000 1.142 274 D HN 0.423 8.793 8.370 -0.000 0.000 0.575 275 M N 0.318 119.788 119.600 -0.217 0.000 2.359 275 M HA 0.239 4.718 4.480 -0.001 0.000 0.322 275 M C -0.336 175.803 176.300 -0.269 0.000 1.166 275 M CA -0.865 54.269 55.300 -0.276 0.000 1.067 275 M CB 1.696 34.007 32.600 -0.481 0.000 1.523 275 M HN -0.046 8.244 8.290 -0.000 0.000 0.467 276 V N 3.939 123.715 119.914 -0.231 0.000 2.470 276 V HA 0.069 4.189 4.120 -0.001 0.000 0.276 276 V C 0.858 176.871 176.094 -0.135 0.000 1.040 276 V CA 0.193 62.410 62.300 -0.137 0.000 1.008 276 V CB 0.139 31.904 31.823 -0.097 0.000 0.990 276 V HN 0.842 9.032 8.190 -0.000 0.000 0.477 277 I N 0.671 121.170 120.570 -0.119 0.000 4.081 277 I HA 0.338 4.507 4.170 -0.001 0.000 0.333 277 I C 0.640 176.810 176.117 0.087 0.000 1.413 277 I CA -0.016 61.246 61.300 -0.062 0.000 1.110 277 I CB 0.555 38.364 38.000 -0.319 0.000 1.082 277 I HN 0.601 8.811 8.210 -0.000 0.000 0.402 278 D N -0.406 120.015 120.400 0.035 0.000 2.469 278 D HA 0.062 4.701 4.640 -0.001 0.000 0.213 278 D C 0.272 176.580 176.300 0.014 0.000 1.135 278 D CA -0.196 53.833 54.000 0.047 0.000 0.834 278 D CB -0.203 40.617 40.800 0.033 0.000 1.009 278 D HN 0.314 8.684 8.370 -0.000 0.000 0.507 279 D N 2.268 122.670 120.400 0.003 0.000 2.359 279 D HA 0.072 4.711 4.640 -0.001 0.000 0.250 279 D C -1.034 175.264 176.300 -0.003 0.000 1.264 279 D CA -1.801 52.196 54.000 -0.004 0.000 0.911 279 D CB 1.370 42.164 40.800 -0.010 0.000 1.056 279 D HN -0.098 8.272 8.370 -0.000 0.000 0.499 280 P HA -0.197 4.223 4.420 -0.000 0.000 0.218 280 P C 0.664 177.966 177.300 0.003 0.000 1.148 280 P CA 1.026 64.117 63.100 -0.014 0.000 0.822 280 P CB 0.365 32.054 31.700 -0.019 0.000 0.784 281 E N -0.131 120.074 120.200 0.009 0.000 2.268 281 E HA -0.040 4.309 4.350 -0.001 0.000 0.195 281 E C 0.369 176.992 176.600 0.039 0.000 0.995 281 E CA 0.760 57.173 56.400 0.020 0.000 0.836 281 E CB -0.454 29.254 29.700 0.013 0.000 0.763 281 E HN 0.423 8.783 8.360 -0.000 0.000 0.491 282 N N 0.985 119.707 118.700 0.036 0.000 2.653 282 N HA 0.239 4.979 4.740 -0.001 0.000 0.261 282 N C -2.822 172.718 175.510 0.050 0.000 1.216 282 N CA -1.042 52.047 53.050 0.065 0.000 0.784 282 N CB 2.132 40.647 38.487 0.047 0.000 1.327 282 N HN -0.094 8.286 8.380 -0.000 0.000 0.539 283 P HA 0.160 4.580 4.420 -0.000 0.000 0.277 283 P C -0.294 176.957 177.300 -0.081 0.000 1.240 283 P CA -0.372 62.681 63.100 -0.080 0.000 0.798 283 P CB 0.835 32.378 31.700 -0.261 0.000 0.979 284 N N 0.982 119.662 118.700 -0.033 0.000 2.420 284 N HA 0.198 4.938 4.740 -0.001 0.000 0.249 284 N C 0.004 175.519 175.510 0.008 0.000 1.033 284 N CA -0.034 53.050 53.050 0.057 0.000 0.944 284 N CB -0.307 38.233 38.487 0.088 0.000 1.113 284 N HN 0.203 8.583 8.380 -0.000 0.000 0.502 285 F N 0.803 120.831 119.950 0.131 0.000 2.367 285 F HA -0.022 4.504 4.527 -0.001 0.000 0.298 285 F C 2.188 178.059 175.800 0.119 0.000 1.094 285 F CA 0.461 58.523 58.000 0.103 0.000 1.409 285 F CB -0.033 38.996 39.000 0.047 0.000 1.064 285 F HN 0.552 8.852 8.300 -0.000 0.000 0.528 286 D N -0.179 120.403 120.400 0.303 0.000 2.123 286 D HA -0.294 4.346 4.640 -0.001 0.000 0.196 286 D C 2.096 178.625 176.300 0.381 0.000 0.992 286 D CA 1.443 55.613 54.000 0.283 0.000 0.833 286 D CB -0.342 40.611 40.800 0.255 0.000 0.954 286 D HN 0.358 8.728 8.370 -0.000 0.000 0.455 287 Y N 0.601 121.034 120.300 0.223 0.000 2.220 287 Y HA -0.069 4.480 4.550 -0.001 0.000 0.291 287 Y C 2.114 178.177 175.900 0.271 0.000 1.129 287 Y CA 0.670 58.925 58.100 0.257 0.000 1.161 287 Y CB -0.519 37.997 38.460 0.093 0.000 0.997 287 Y HN -0.078 8.202 8.280 -0.000 0.000 0.522 288 L N 0.486 121.714 121.223 0.009 0.000 2.046 288 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 288 L C 2.886 179.774 176.870 0.031 0.000 1.077 288 L CA 2.179 56.998 54.840 -0.034 0.000 0.747 288 L CB -1.738 40.267 42.059 -0.090 0.000 0.896 288 L HN 0.508 8.738 8.230 -0.000 0.000 0.432 289 S N -1.515 114.214 115.700 0.049 0.000 2.380 289 S HA -0.282 4.188 4.470 -0.001 0.000 0.229 289 S C 1.994 176.579 174.600 -0.025 0.000 1.043 289 S CA 1.528 59.732 58.200 0.006 0.000 1.038 289 S CB -0.780 62.397 63.200 -0.037 0.000 0.872 289 S HN 0.544 8.854 8.310 -0.000 0.000 0.456 290 H N -0.578 118.490 119.070 -0.003 0.000 2.307 290 H HA -0.026 4.530 4.556 -0.001 0.000 0.303 290 H C 2.075 177.289 175.328 -0.189 0.000 1.073 290 H CA 1.676 57.662 56.048 -0.104 0.000 1.338 290 H CB -0.834 28.893 29.762 -0.058 0.000 1.389 290 H HN 0.639 8.919 8.280 -0.000 0.000 0.503 291 Y N 1.128 121.279 120.300 -0.250 0.000 2.193 291 Y HA -0.244 4.305 4.550 -0.000 0.000 0.285 291 Y C 2.540 178.377 175.900 -0.105 0.000 1.166 291 Y CA 1.139 59.079 58.100 -0.266 0.000 1.181 291 Y CB -0.266 37.956 38.460 -0.397 0.000 0.976 291 Y HN 0.041 8.321 8.280 -0.000 0.000 0.520 292 I N -0.319 120.202 120.570 -0.083 0.000 2.394 292 I HA -0.226 3.943 4.170 -0.001 0.000 0.251 292 I C 1.707 177.775 176.117 -0.082 0.000 1.136 292 I CA 1.070 62.343 61.300 -0.046 0.000 1.425 292 I CB -0.600 37.496 38.000 0.160 0.000 1.079 292 I HN 0.223 8.433 8.210 -0.000 0.000 0.425 293 L N 0.794 121.862 121.223 -0.258 0.000 2.351 293 L HA -0.119 4.221 4.340 -0.001 0.000 0.220 293 L C 2.407 178.969 176.870 -0.514 0.000 1.127 293 L CA 1.711 56.127 54.840 -0.706 0.000 0.786 293 L CB -1.915 39.486 42.059 -1.096 0.000 0.914 293 L HN 0.369 8.599 8.230 -0.000 0.000 0.443 294 G N -1.608 106.977 108.800 -0.359 0.000 2.598 294 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.215 294 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.215 294 G C 1.556 176.372 174.900 -0.140 0.000 1.131 294 G CA 0.580 45.514 45.100 -0.277 0.000 0.785 294 G HN 0.472 8.762 8.290 -0.000 0.000 0.539 295 A N 0.250 123.046 122.820 -0.040 0.000 2.206 295 A HA 0.402 4.722 4.320 -0.001 0.000 0.211 295 A C 2.145 179.837 177.584 0.180 0.000 1.158 295 A CA 1.189 53.267 52.037 0.068 0.000 0.761 295 A CB -0.023 19.040 19.000 0.105 0.000 0.801 295 A HN 0.402 8.552 8.150 -0.000 0.000 0.473 296 G N -0.955 107.997 108.800 0.253 0.000 3.502 296 G HA2 0.467 4.427 3.960 -0.001 0.000 0.267 296 G HA3 0.467 4.427 3.960 -0.001 0.000 0.267 296 G C 0.159 175.152 174.900 0.156 0.000 1.090 296 G CA -0.298 45.021 45.100 0.365 0.000 0.795 296 G HN 0.366 8.656 8.290 -0.000 0.000 0.535 297 M N 0.458 120.079 119.600 0.035 0.000 2.602 297 M HA 0.325 4.805 4.480 -0.001 0.000 0.312 297 M C -1.388 174.873 176.300 -0.065 0.000 1.181 297 M CA -2.013 53.258 55.300 -0.050 0.000 0.910 297 M CB 2.704 35.226 32.600 -0.131 0.000 1.723 297 M HN -0.186 8.104 8.290 -0.000 0.000 0.459 298 P HA -0.091 4.329 4.420 -0.000 0.000 0.214 298 P C -0.462 176.903 177.300 0.109 0.000 1.163 298 P CA 1.739 64.821 63.100 -0.030 0.000 0.883 298 P CB -0.008 31.622 31.700 -0.118 0.000 0.788 299 F N -2.010 117.946 119.950 0.011 0.000 2.607 299 F HA 0.638 5.165 4.527 -0.001 0.000 0.322 299 F C -0.165 175.629 175.800 -0.010 0.000 1.176 299 F CA -1.469 56.531 58.000 0.001 0.000 0.977 299 F CB 0.817 39.819 39.000 0.003 0.000 1.242 299 F HN -0.196 8.104 8.300 -0.000 0.000 0.465 300 S N 1.319 117.058 115.700 0.064 0.000 2.645 300 S HA 0.584 5.054 4.470 -0.001 0.000 0.266 300 S C 0.814 175.444 174.600 0.050 0.000 1.258 300 S CA 0.027 58.219 58.200 -0.014 0.000 0.990 300 S CB 1.548 64.704 63.200 -0.072 0.000 0.967 300 S HN 1.024 9.334 8.310 -0.000 0.000 0.556 301 V N 1.343 121.261 119.914 0.007 0.000 2.908 301 V HA 0.394 4.514 4.120 -0.001 0.000 0.240 301 V C 0.834 176.952 176.094 0.040 0.000 1.117 301 V CA 0.090 62.403 62.300 0.022 0.000 1.133 301 V CB -1.146 30.666 31.823 -0.018 0.000 0.857 301 V HN 0.699 8.889 8.190 -0.000 0.000 0.478 302 L N 2.187 123.434 121.223 0.041 0.000 2.483 302 L HA 0.602 4.941 4.340 -0.001 0.000 0.276 302 L C 0.643 177.682 176.870 0.283 0.000 1.213 302 L CA 1.120 56.045 54.840 0.141 0.000 0.843 302 L CB -0.434 41.721 42.059 0.161 0.000 1.107 302 L HN 0.455 8.685 8.230 -0.000 0.000 0.487 303 G N 1.290 110.262 108.800 0.287 0.000 2.645 303 G HA2 0.623 4.583 3.960 -0.001 0.000 0.292 303 G HA3 0.623 4.583 3.960 -0.001 0.000 0.292 303 G C -1.893 173.074 174.900 0.111 0.000 1.415 303 G CA -0.518 44.767 45.100 0.308 0.000 0.785 303 G HN 0.251 8.541 8.290 -0.000 0.000 0.483 304 F N 0.415 120.378 119.950 0.021 0.000 2.575 304 F HA 0.795 5.322 4.527 -0.001 0.000 0.330 304 F C 0.552 176.320 175.800 -0.054 0.000 1.056 304 F CA -0.321 57.653 58.000 -0.043 0.000 0.964 304 F CB 2.690 41.615 39.000 -0.125 0.000 1.258 304 F HN 0.671 8.971 8.300 -0.000 0.000 0.484 305 K N 0.159 120.621 120.400 0.103 0.000 2.642 305 K HA 0.375 4.695 4.320 -0.001 0.000 0.290 305 K C -1.886 174.705 176.600 -0.016 0.000 1.006 305 K CA -1.048 55.240 56.287 0.002 0.000 0.869 305 K CB 1.517 33.956 32.500 -0.102 0.000 1.499 305 K HN 0.270 8.520 8.250 -0.000 0.000 0.403 306 E N 1.989 122.157 120.200 -0.054 0.000 2.089 306 E HA 0.089 4.439 4.350 -0.001 0.000 0.284 306 E C -0.198 176.333 176.600 -0.116 0.000 1.023 306 E CA -0.110 56.260 56.400 -0.051 0.000 0.819 306 E CB 1.512 31.189 29.700 -0.039 0.000 1.076 306 E HN 0.526 8.886 8.360 -0.000 0.000 0.396 307 Q N 1.344 121.097 119.800 -0.077 0.000 2.576 307 Q HA -0.063 4.276 4.340 -0.001 0.000 0.219 307 Q C 1.062 177.087 176.000 0.042 0.000 0.976 307 Q CA 0.535 56.304 55.803 -0.056 0.000 0.977 307 Q CB 0.089 28.879 28.738 0.087 0.000 0.988 307 Q HN 0.474 8.744 8.270 -0.000 0.000 0.555 308 A N 0.075 122.881 122.820 -0.023 0.000 2.140 308 A HA 0.049 4.368 4.320 -0.001 0.000 0.209 308 A C 1.598 179.177 177.584 -0.008 0.000 1.181 308 A CA -0.194 51.863 52.037 0.034 0.000 0.824 308 A CB 0.296 19.307 19.000 0.017 0.000 0.879 308 A HN 0.142 8.292 8.150 -0.000 0.000 0.480 309 R N -0.752 119.677 120.500 -0.119 0.000 2.316 309 R HA -0.193 4.147 4.340 -0.001 0.000 0.232 309 R C 1.214 177.457 176.300 -0.095 0.000 1.137 309 R CA 1.159 57.183 56.100 -0.127 0.000 1.012 309 R CB -0.629 29.558 30.300 -0.188 0.000 0.859 309 R HN 0.666 8.936 8.270 -0.000 0.000 0.474 310 Y N 1.361 121.641 120.300 -0.034 0.000 2.097 310 Y HA -0.265 4.285 4.550 -0.001 0.000 0.282 310 Y C 2.584 178.463 175.900 -0.035 0.000 1.152 310 Y CA 1.418 59.489 58.100 -0.047 0.000 1.136 310 Y CB -0.550 37.877 38.460 -0.055 0.000 0.975 310 Y HN 0.004 8.284 8.280 -0.000 0.000 0.498 311 K N 0.365 120.857 120.400 0.153 0.000 2.034 311 K HA -0.307 4.013 4.320 -0.001 0.000 0.214 311 K C 1.833 178.474 176.600 0.068 0.000 1.051 311 K CA 2.350 58.690 56.287 0.087 0.000 0.931 311 K CB -0.120 32.418 32.500 0.064 0.000 0.715 311 K HN 0.233 8.483 8.250 -0.000 0.000 0.446 312 E N 0.754 120.981 120.200 0.046 0.000 2.058 312 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 312 E C 1.970 178.592 176.600 0.036 0.000 0.997 312 E CA 1.668 58.086 56.400 0.030 0.000 0.801 312 E CB -0.205 29.500 29.700 0.007 0.000 0.746 312 E HN 0.396 8.756 8.360 -0.000 0.000 0.450 313 I N 0.373 120.965 120.570 0.037 0.000 2.127 313 I HA -0.293 3.877 4.170 -0.001 0.000 0.241 313 I C 2.262 178.429 176.117 0.083 0.000 1.075 313 I CA 1.106 62.432 61.300 0.043 0.000 1.334 313 I CB -0.394 37.629 38.000 0.037 0.000 1.040 313 I HN 0.083 8.293 8.210 -0.000 0.000 0.405 314 L N 0.393 121.674 121.223 0.097 0.000 2.042 314 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 314 L C 2.560 179.591 176.870 0.268 0.000 1.076 314 L CA 1.654 56.581 54.840 0.145 0.000 0.749 314 L CB -0.681 41.369 42.059 -0.016 0.000 0.893 314 L HN 0.295 8.525 8.230 -0.000 0.000 0.432 315 E N -0.508 119.781 120.200 0.149 0.000 2.072 315 E HA -0.217 4.133 4.350 -0.001 0.000 0.191 315 E C 2.255 178.887 176.600 0.053 0.000 0.985 315 E CA 1.340 57.805 56.400 0.108 0.000 0.801 315 E CB -0.177 29.566 29.700 0.070 0.000 0.750 315 E HN 0.350 8.710 8.360 -0.000 0.000 0.452 316 S N 0.508 116.233 115.700 0.042 0.000 2.440 316 S HA -0.146 4.323 4.470 -0.001 0.000 0.240 316 S C 1.704 176.280 174.600 -0.040 0.000 1.014 316 S CA 0.929 59.131 58.200 0.002 0.000 0.980 316 S CB -0.077 63.128 63.200 0.007 0.000 0.775 316 S HN 0.218 8.528 8.310 -0.000 0.000 0.499 317 L N -0.519 120.685 121.223 -0.031 0.000 2.638 317 L HA 0.385 4.724 4.340 -0.001 0.000 0.232 317 L C 1.728 178.272 176.870 -0.543 0.000 1.099 317 L CA 0.415 55.128 54.840 -0.212 0.000 0.883 317 L CB 0.188 42.205 42.059 -0.070 0.000 1.136 317 L HN 0.544 8.774 8.230 -0.000 0.000 0.492 318 G N -1.163 107.459 108.800 -0.297 0.000 2.183 318 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.168 318 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.168 318 G C -0.234 174.620 174.900 -0.076 0.000 1.008 318 G CA -0.703 44.215 45.100 -0.302 0.000 0.677 318 G HN 0.136 8.426 8.290 -0.000 0.000 0.498 319 Y N 2.535 122.882 120.300 0.077 0.000 2.393 319 Y HA 0.467 5.017 4.550 -0.001 0.000 0.338 319 Y C 1.218 177.180 175.900 0.103 0.000 1.029 319 Y CA 0.193 58.400 58.100 0.179 0.000 1.239 319 Y CB 0.751 39.306 38.460 0.158 0.000 1.170 319 Y HN 0.396 8.676 8.280 -0.000 0.000 0.515 320 K N 0.773 121.314 120.400 0.235 0.000 2.240 320 K HA 0.349 4.669 4.320 -0.001 0.000 0.237 320 K C -0.452 176.225 176.600 0.129 0.000 1.027 320 K CA -0.745 55.628 56.287 0.144 0.000 0.937 320 K CB 0.715 33.275 32.500 0.100 0.000 1.171 320 K HN 0.521 8.771 8.250 -0.000 0.000 0.479 321 D N -0.299 120.153 120.400 0.086 0.000 2.701 321 D HA -0.136 4.504 4.640 -0.001 0.000 0.235 321 D C -0.439 175.900 176.300 0.065 0.000 1.155 321 D CA 0.568 54.607 54.000 0.066 0.000 0.649 321 D CB -1.412 39.423 40.800 0.058 0.000 1.050 321 D HN 0.325 8.695 8.370 -0.000 0.000 0.425 322 V N 0.423 120.380 119.914 0.071 0.000 2.617 322 V HA 0.198 4.318 4.120 -0.001 0.000 0.304 322 V C 1.236 177.350 176.094 0.033 0.000 1.040 322 V CA 1.121 63.453 62.300 0.053 0.000 1.149 322 V CB 1.387 33.245 31.823 0.058 0.000 0.914 322 V HN 0.441 8.631 8.190 -0.000 0.000 0.487 323 T N 5.400 119.964 114.554 0.017 0.000 2.883 323 T HA 0.823 5.173 4.350 -0.001 0.000 0.296 323 T C -0.979 173.721 174.700 -0.000 0.000 1.117 323 T CA -0.846 61.261 62.100 0.011 0.000 1.006 323 T CB 1.881 70.756 68.868 0.011 0.000 1.191 323 T HN 0.512 8.752 8.240 -0.000 0.000 0.508 324 M N 2.209 121.810 119.600 0.003 0.000 2.465 324 M HA 0.667 5.146 4.480 -0.001 0.000 0.284 324 M C -1.699 174.601 176.300 0.000 0.000 1.212 324 M CA -0.976 54.324 55.300 -0.001 0.000 0.910 324 M CB 2.613 35.221 32.600 0.013 0.000 1.725 324 M HN 0.643 8.933 8.290 -0.000 0.000 0.477 325 V N 2.491 122.403 119.914 -0.002 0.000 2.969 325 V HA 0.686 4.806 4.120 -0.001 0.000 0.304 325 V C -1.859 174.231 176.094 -0.007 0.000 1.192 325 V CA -0.455 61.842 62.300 -0.006 0.000 0.962 325 V CB 2.872 34.692 31.823 -0.004 0.000 1.045 325 V HN 0.940 9.130 8.190 -0.000 0.000 0.428 326 R N 4.497 124.983 120.500 -0.024 0.000 2.561 326 R HA 0.768 5.107 4.340 -0.001 0.000 0.297 326 R C -1.238 175.010 176.300 -0.087 0.000 0.969 326 R CA -0.892 55.189 56.100 -0.031 0.000 0.879 326 R CB 2.417 32.699 30.300 -0.029 0.000 1.178 326 R HN 0.742 9.012 8.270 -0.000 0.000 0.445 327 K N 1.922 122.261 120.400 -0.101 0.000 2.589 327 K HA 0.143 4.463 4.320 -0.001 0.000 0.265 327 K C -1.363 175.126 176.600 -0.185 0.000 0.935 327 K CA -0.631 55.465 56.287 -0.317 0.000 0.850 327 K CB 1.023 33.210 32.500 -0.522 0.000 1.372 327 K HN 0.545 8.795 8.250 -0.000 0.000 0.420 328 Y N 2.028 122.313 120.300 -0.024 0.000 3.689 328 Y HA -0.278 4.272 4.550 -0.001 0.000 0.221 328 Y C -0.203 175.623 175.900 -0.122 0.000 1.247 328 Y CA 1.207 59.250 58.100 -0.095 0.000 1.671 328 Y CB -2.518 35.967 38.460 0.042 0.000 1.521 328 Y HN 0.952 9.232 8.280 -0.000 0.000 0.632 329 D N -2.215 118.143 120.400 -0.071 0.000 3.077 329 D HA -0.235 4.405 4.640 -0.001 0.000 0.217 329 D C 0.111 176.210 176.300 -0.334 0.000 1.162 329 D CA 1.725 55.605 54.000 -0.201 0.000 0.943 329 D CB -0.893 39.749 40.800 -0.263 0.000 1.122 329 D HN 0.691 9.061 8.370 -0.000 0.000 0.413 330 H N -0.726 118.353 119.070 0.015 0.000 2.670 330 H HA 0.617 5.173 4.556 -0.001 0.000 0.361 330 H C -0.115 175.211 175.328 -0.002 0.000 1.169 330 H CA -0.705 55.349 56.048 0.011 0.000 1.198 330 H CB 2.150 31.955 29.762 0.071 0.000 1.700 330 H HN 0.014 8.294 8.280 -0.000 0.000 0.542 331 L N 2.469 123.759 121.223 0.113 0.000 2.346 331 L HA 0.413 4.753 4.340 -0.001 0.000 0.276 331 L C -1.667 175.222 176.870 0.032 0.000 1.006 331 L CA -0.824 54.046 54.840 0.050 0.000 0.817 331 L CB 1.516 43.594 42.059 0.031 0.000 1.272 331 L HN 0.381 8.611 8.230 -0.000 0.000 0.421 332 L N 6.033 127.261 121.223 0.008 0.000 2.372 332 L HA 0.673 5.012 4.340 -0.001 0.000 0.273 332 L C -1.395 175.445 176.870 -0.051 0.000 0.989 332 L CA -0.289 54.539 54.840 -0.020 0.000 0.841 332 L CB 1.693 43.754 42.059 0.004 0.000 1.225 332 L HN 0.432 8.662 8.230 -0.000 0.000 0.414 333 V N 5.173 125.020 119.914 -0.112 0.000 2.483 333 V HA 0.606 4.726 4.120 -0.001 0.000 0.295 333 V C -0.321 175.703 176.094 -0.116 0.000 1.035 333 V CA -0.482 61.738 62.300 -0.133 0.000 0.896 333 V CB 1.680 33.341 31.823 -0.270 0.000 0.986 333 V HN 0.796 8.986 8.190 -0.000 0.000 0.447 334 Q N 2.513 122.268 119.800 -0.074 0.000 2.331 334 Q HA 0.834 5.174 4.340 -0.001 0.000 0.272 334 Q C -0.768 175.214 176.000 -0.029 0.000 1.062 334 Q CA -0.576 55.194 55.803 -0.054 0.000 0.806 334 Q CB 2.875 31.595 28.738 -0.030 0.000 1.312 334 Q HN 0.898 9.168 8.270 -0.000 0.000 0.431 335 A N 1.359 124.171 122.820 -0.013 0.000 2.552 335 A HA 0.928 5.248 4.320 -0.001 0.000 0.288 335 A C -1.235 176.442 177.584 0.156 0.000 1.193 335 A CA -0.486 51.590 52.037 0.065 0.000 0.713 335 A CB 1.540 20.556 19.000 0.026 0.000 1.305 335 A HN 0.389 8.539 8.150 -0.000 0.000 0.424 336 V N -0.269 119.795 119.914 0.250 0.000 3.158 336 V HA 0.622 4.741 4.120 -0.001 0.000 0.311 336 V C -0.447 175.820 176.094 0.288 0.000 1.181 336 V CA -0.813 61.620 62.300 0.221 0.000 1.054 336 V CB 2.186 34.076 31.823 0.111 0.000 1.085 336 V HN 0.893 9.083 8.190 -0.000 0.000 0.446 337 K N 2.990 123.453 120.400 0.105 0.000 2.507 337 K HA 0.481 4.800 4.320 -0.001 0.000 0.253 337 K C -2.532 174.047 176.600 -0.035 0.000 0.969 337 K CA -1.824 54.434 56.287 -0.048 0.000 0.908 337 K CB 1.660 33.894 32.500 -0.443 0.000 1.127 337 K HN 0.416 8.666 8.250 -0.000 0.000 0.437 338 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 338 P CA 0.000 63.118 63.100 0.030 0.000 0.800 338 P CB 0.000 31.733 31.700 0.055 0.000 0.726