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 1wq7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGXXX DATA SEQUENCE XXXESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK KIAGVLVEGK GDKIVLGIGL NVNNKVPNGA TSMKLELGSE DATA SEQUENCE VPLLSVFRSL ITNLDRLYLN FLKNPMDILN LVRDNMILGV RVKILGDGSF DATA SEQUENCE EGIAEDIDDF GRLIIRLDSG EVKKVIYGDV SLRFL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.291 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.022 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.042 0.000 1.302 2 L N 2.047 123.269 121.223 -0.002 0.000 2.291 2 L HA 0.285 4.638 4.340 0.022 0.000 0.214 2 L C 1.493 178.395 176.870 0.053 0.000 1.120 2 L CA 1.401 56.258 54.840 0.028 0.000 0.799 2 L CB -0.610 41.488 42.059 0.065 0.000 0.925 2 L HN 0.826 9.056 8.230 -0.000 0.000 0.446 3 G N 1.031 109.854 108.800 0.038 0.000 2.221 3 G HA2 -0.276 3.697 3.960 0.022 0.000 0.265 3 G HA3 -0.276 3.697 3.960 0.022 0.000 0.265 3 G C 0.136 175.062 174.900 0.043 0.000 1.041 3 G CA -0.104 45.017 45.100 0.035 0.000 0.807 3 G HN 0.219 8.509 8.290 -0.000 0.000 0.502 4 L N -0.634 120.622 121.223 0.055 0.000 2.395 4 L HA 0.521 4.875 4.340 0.022 0.000 0.269 4 L C 0.849 177.736 176.870 0.028 0.000 1.133 4 L CA -0.230 54.637 54.840 0.045 0.000 0.812 4 L CB 1.394 43.488 42.059 0.059 0.000 1.125 4 L HN 0.178 8.408 8.230 -0.000 0.000 0.452 5 K N 2.287 122.697 120.400 0.017 0.000 2.646 5 K HA 0.325 4.658 4.320 0.022 0.000 0.210 5 K C -0.946 175.661 176.600 0.012 0.000 1.020 5 K CA -0.307 55.989 56.287 0.015 0.000 1.040 5 K CB 0.897 33.404 32.500 0.012 0.000 1.253 5 K HN 0.768 9.018 8.250 -0.000 0.000 0.532 6 T N -2.057 112.507 114.554 0.016 0.000 2.887 6 T HA 0.370 4.733 4.350 0.022 0.000 0.292 6 T C 0.578 175.294 174.700 0.028 0.000 1.087 6 T CA -0.722 61.389 62.100 0.017 0.000 1.009 6 T CB 1.776 70.649 68.868 0.007 0.000 1.203 6 T HN 0.081 8.321 8.240 -0.000 0.000 0.518 7 S N -0.399 115.324 115.700 0.039 0.000 2.398 7 S HA 0.198 4.681 4.470 0.022 0.000 0.220 7 S C 1.227 175.864 174.600 0.061 0.000 1.046 7 S CA 0.261 58.489 58.200 0.048 0.000 0.953 7 S CB -0.249 62.982 63.200 0.051 0.000 0.856 7 S HN 0.596 8.906 8.310 -0.000 0.000 0.506 8 I N 0.644 121.264 120.570 0.082 0.000 3.534 8 I HA 0.344 4.528 4.170 0.022 0.000 0.251 8 I C 0.174 176.320 176.117 0.048 0.000 1.136 8 I CA -0.455 60.901 61.300 0.094 0.000 1.475 8 I CB -0.445 37.672 38.000 0.195 0.000 1.526 8 I HN 0.095 8.305 8.210 -0.000 0.000 0.454 9 I N 1.820 122.407 120.570 0.029 0.000 2.517 9 I HA 0.327 4.510 4.170 0.022 0.000 0.285 9 I C 1.139 177.241 176.117 -0.025 0.000 1.106 9 I CA 0.601 61.880 61.300 -0.036 0.000 1.402 9 I CB -0.179 37.770 38.000 -0.085 0.000 1.399 9 I HN 0.587 8.797 8.210 -0.000 0.000 0.535 10 G N 5.076 113.872 108.800 -0.007 0.000 2.159 10 G HA2 -0.272 3.701 3.960 0.022 0.000 0.227 10 G HA3 -0.272 3.701 3.960 0.022 0.000 0.227 10 G C 1.101 176.029 174.900 0.048 0.000 0.986 10 G CA 0.213 45.327 45.100 0.024 0.000 0.651 10 G HN 0.661 8.951 8.290 -0.000 0.000 0.523 11 R N 0.747 121.270 120.500 0.038 0.000 2.148 11 R HA 0.121 4.474 4.340 0.022 0.000 0.227 11 R C 1.127 177.456 176.300 0.047 0.000 1.103 11 R CA 1.746 57.870 56.100 0.041 0.000 0.983 11 R CB -0.066 30.256 30.300 0.037 0.000 0.874 11 R HN 0.545 8.815 8.270 -0.000 0.000 0.451 12 R N -0.452 120.081 120.500 0.055 0.000 2.621 12 R HA 0.461 4.814 4.340 0.022 0.000 0.284 12 R C -1.804 174.546 176.300 0.084 0.000 0.998 12 R CA -0.706 55.429 56.100 0.060 0.000 0.895 12 R CB 2.000 32.331 30.300 0.052 0.000 1.195 12 R HN 0.006 8.276 8.270 -0.000 0.000 0.450 13 V N 6.091 126.055 119.914 0.083 0.000 2.531 13 V HA 0.491 4.624 4.120 0.022 0.000 0.301 13 V C -0.368 175.749 176.094 0.037 0.000 1.034 13 V CA -0.665 61.697 62.300 0.103 0.000 0.865 13 V CB 1.923 33.830 31.823 0.139 0.000 0.995 13 V HN 0.660 8.850 8.190 -0.000 0.000 0.424 14 I N 5.185 125.773 120.570 0.031 0.000 2.389 14 I HA 0.450 4.633 4.170 0.022 0.000 0.288 14 I C -1.063 174.955 176.117 -0.165 0.000 0.999 14 I CA -0.723 60.522 61.300 -0.092 0.000 1.129 14 I CB 1.522 39.489 38.000 -0.055 0.000 1.288 14 I HN 0.694 8.904 8.210 -0.000 0.000 0.444 15 Y N 7.484 127.531 120.300 -0.422 0.000 2.409 15 Y HA 0.701 5.263 4.550 0.020 0.000 0.339 15 Y C -1.715 173.813 175.900 -0.621 0.000 1.033 15 Y CA -0.906 56.970 58.100 -0.373 0.000 1.094 15 Y CB 1.254 39.555 38.460 -0.265 0.000 1.210 15 Y HN 0.337 8.617 8.280 -0.000 0.000 0.456 16 F N 3.449 122.758 119.950 -1.068 0.000 2.576 16 F HA 0.356 4.895 4.527 0.021 0.000 0.313 16 F C 0.955 176.086 175.800 -1.114 0.000 1.078 16 F CA -0.727 56.721 58.000 -0.920 0.000 0.921 16 F CB 2.426 41.105 39.000 -0.535 0.000 1.232 16 F HN 0.563 8.863 8.300 -0.000 0.000 0.459 17 Q N 0.456 119.969 119.800 -0.478 0.000 2.079 17 Q HA -0.057 4.296 4.340 0.022 0.000 0.200 17 Q C -0.013 175.923 176.000 -0.106 0.000 0.974 17 Q CA 1.302 56.974 55.803 -0.218 0.000 0.840 17 Q CB 0.449 29.167 28.738 -0.034 0.000 0.898 17 Q HN 0.634 8.904 8.270 -0.000 0.000 0.430 18 E N -0.192 119.954 120.200 -0.091 0.000 2.363 18 E HA 0.446 4.809 4.350 0.022 0.000 0.281 18 E C -1.648 174.865 176.600 -0.145 0.000 0.953 18 E CA -0.402 55.946 56.400 -0.088 0.000 0.778 18 E CB 1.552 31.215 29.700 -0.062 0.000 1.220 18 E HN 0.199 8.559 8.360 -0.000 0.000 0.431 19 I N -0.573 119.890 120.570 -0.179 0.000 3.181 19 I HA 0.437 4.620 4.170 0.022 0.000 0.311 19 I C 1.088 177.101 176.117 -0.174 0.000 1.287 19 I CA -0.643 60.510 61.300 -0.245 0.000 0.958 19 I CB 1.662 39.398 38.000 -0.440 0.000 1.294 19 I HN 0.618 8.828 8.210 -0.000 0.000 0.467 20 T N -0.393 114.070 114.554 -0.152 0.000 2.652 20 T HA -0.017 4.346 4.350 0.022 0.000 0.267 20 T C 0.784 175.416 174.700 -0.113 0.000 1.039 20 T CA 1.399 63.428 62.100 -0.119 0.000 1.153 20 T CB -0.549 68.258 68.868 -0.101 0.000 0.863 20 T HN 1.290 9.530 8.240 -0.000 0.000 0.428 21 S N -0.482 115.163 115.700 -0.092 0.000 2.558 21 S HA 0.414 4.897 4.470 0.022 0.000 0.277 21 S C 0.713 175.314 174.600 0.002 0.000 1.143 21 S CA -0.014 58.158 58.200 -0.047 0.000 0.865 21 S CB 1.091 64.288 63.200 -0.006 0.000 1.102 21 S HN 0.489 8.799 8.310 -0.000 0.000 0.454 22 T N 1.024 115.606 114.554 0.047 0.000 2.833 22 T HA -0.086 4.277 4.350 0.022 0.000 0.269 22 T C 1.379 176.163 174.700 0.140 0.000 1.054 22 T CA 1.724 63.886 62.100 0.105 0.000 1.135 22 T CB -0.786 68.166 68.868 0.140 0.000 0.869 22 T HN 0.542 8.782 8.240 -0.000 0.000 0.466 23 N N 1.555 120.325 118.700 0.116 0.000 2.142 23 N HA -0.012 4.741 4.740 0.022 0.000 0.186 23 N C 1.967 177.512 175.510 0.059 0.000 1.023 23 N CA 1.330 54.443 53.050 0.106 0.000 0.852 23 N CB -0.287 38.298 38.487 0.164 0.000 0.998 23 N HN 0.645 9.025 8.380 -0.000 0.000 0.424 24 E N -0.695 119.518 120.200 0.021 0.000 2.077 24 E HA -0.170 4.193 4.350 0.022 0.000 0.193 24 E C 1.507 178.105 176.600 -0.003 0.000 0.989 24 E CA 0.744 57.125 56.400 -0.033 0.000 0.800 24 E CB -0.194 29.460 29.700 -0.075 0.000 0.746 24 E HN 0.346 8.706 8.360 -0.000 0.000 0.452 25 F N 1.314 121.208 119.950 -0.093 0.000 2.146 25 F HA -0.112 4.428 4.527 0.022 0.000 0.298 25 F C 2.188 177.969 175.800 -0.031 0.000 1.096 25 F CA 1.280 59.223 58.000 -0.096 0.000 1.275 25 F CB -0.188 38.714 39.000 -0.162 0.000 1.008 25 F HN -0.055 8.245 8.300 -0.000 0.000 0.480 26 A N 0.235 123.115 122.820 0.100 0.000 1.972 26 A HA -0.183 4.150 4.320 0.022 0.000 0.219 26 A C 2.243 179.777 177.584 -0.083 0.000 1.169 26 A CA 1.737 53.789 52.037 0.024 0.000 0.635 26 A CB -0.593 18.458 19.000 0.085 0.000 0.810 26 A HN 0.457 8.607 8.150 -0.000 0.000 0.446 27 K N -0.764 119.592 120.400 -0.074 0.000 2.062 27 K HA -0.078 4.255 4.320 0.022 0.000 0.205 27 K C 2.074 178.608 176.600 -0.111 0.000 1.051 27 K CA 1.651 57.893 56.287 -0.075 0.000 0.941 27 K CB -0.272 32.195 32.500 -0.054 0.000 0.719 27 K HN 0.687 8.937 8.250 -0.000 0.000 0.440 28 T N -1.611 112.840 114.554 -0.172 0.000 3.113 28 T HA 0.081 4.444 4.350 0.022 0.000 0.256 28 T C 0.804 175.361 174.700 -0.239 0.000 1.131 28 T CA -0.153 61.838 62.100 -0.182 0.000 1.074 28 T CB 0.173 68.934 68.868 -0.179 0.000 0.944 28 T HN -0.164 8.076 8.240 -0.000 0.000 0.516 29 S N 0.579 116.068 115.700 -0.352 0.000 2.593 29 S HA 0.517 5.000 4.470 0.022 0.000 0.297 29 S C -1.358 173.174 174.600 -0.114 0.000 1.112 29 S CA -0.834 57.169 58.200 -0.327 0.000 1.043 29 S CB 1.042 63.828 63.200 -0.689 0.000 1.054 29 S HN 0.450 8.760 8.310 -0.000 0.000 0.516 30 Y N 3.076 123.308 120.300 -0.114 0.000 2.404 30 Y HA 0.621 5.185 4.550 0.022 0.000 0.344 30 Y C -1.117 174.770 175.900 -0.022 0.000 0.970 30 Y CA -0.483 57.585 58.100 -0.054 0.000 1.180 30 Y CB 0.013 38.453 38.460 -0.034 0.000 1.138 30 Y HN 0.485 8.765 8.280 -0.000 0.000 0.510 31 L N 5.009 125.958 121.223 -0.456 0.000 2.354 31 L HA 0.446 4.799 4.340 0.022 0.000 0.264 31 L C -0.344 176.301 176.870 -0.374 0.000 1.008 31 L CA -1.230 53.443 54.840 -0.277 0.000 0.819 31 L CB 2.196 44.203 42.059 -0.088 0.000 1.339 31 L HN 0.538 8.768 8.230 -0.000 0.000 0.420 32 E N 1.425 121.511 120.200 -0.190 0.000 2.404 32 E HA 0.009 4.372 4.350 0.022 0.000 0.261 32 E C -0.317 176.228 176.600 -0.091 0.000 1.074 32 E CA -0.310 56.013 56.400 -0.129 0.000 0.917 32 E CB 0.902 30.585 29.700 -0.029 0.000 0.965 32 E HN 0.554 8.914 8.360 -0.000 0.000 0.433 33 E N 1.779 121.942 120.200 -0.062 0.000 2.452 33 E HA 0.008 4.371 4.350 0.022 0.000 0.261 33 E C 0.505 177.091 176.600 -0.023 0.000 0.987 33 E CA 0.994 57.372 56.400 -0.037 0.000 0.926 33 E CB 0.148 29.859 29.700 0.019 0.000 0.934 33 E HN 0.765 9.125 8.360 -0.000 0.000 0.452 34 G N 3.148 111.913 108.800 -0.058 0.000 2.195 34 G HA2 -0.255 3.718 3.960 0.022 0.000 0.246 34 G HA3 -0.255 3.718 3.960 0.022 0.000 0.246 34 G C 0.339 175.226 174.900 -0.021 0.000 0.984 34 G CA 0.235 45.304 45.100 -0.052 0.000 0.633 34 G HN 0.639 8.929 8.290 -0.000 0.000 0.525 35 T N 1.187 115.736 114.554 -0.008 0.000 2.916 35 T HA 0.449 4.812 4.350 0.022 0.000 0.303 35 T C 0.386 175.120 174.700 0.057 0.000 1.025 35 T CA 0.332 62.453 62.100 0.035 0.000 1.142 35 T CB 2.057 70.951 68.868 0.043 0.000 0.947 35 T HN 0.512 8.752 8.240 -0.000 0.000 0.544 36 V N 5.324 125.299 119.914 0.102 0.000 2.417 36 V HA 0.418 4.551 4.120 0.022 0.000 0.291 36 V C -0.139 176.064 176.094 0.181 0.000 1.024 36 V CA -0.929 61.458 62.300 0.145 0.000 0.861 36 V CB 1.540 33.489 31.823 0.210 0.000 0.985 36 V HN 0.694 8.884 8.190 -0.000 0.000 0.436 37 I N 5.214 125.899 120.570 0.192 0.000 2.377 37 I HA 0.564 4.747 4.170 0.022 0.000 0.293 37 I C -0.189 176.037 176.117 0.183 0.000 0.987 37 I CA -0.407 61.011 61.300 0.197 0.000 1.185 37 I CB 1.604 39.764 38.000 0.267 0.000 1.341 37 I HN 0.384 8.595 8.210 -0.000 0.000 0.455 38 V N 5.705 125.705 119.914 0.143 0.000 2.925 38 V HA 0.935 5.068 4.120 0.022 0.000 0.311 38 V C -0.940 175.218 176.094 0.107 0.000 1.104 38 V CA -0.300 62.082 62.300 0.136 0.000 0.954 38 V CB 2.095 33.945 31.823 0.045 0.000 1.022 38 V HN 0.935 9.125 8.190 -0.000 0.000 0.427 39 A N 3.549 126.457 122.820 0.147 0.000 2.539 39 A HA 0.650 4.983 4.320 0.022 0.000 0.296 39 A C 0.133 177.850 177.584 0.221 0.000 1.073 39 A CA -0.387 51.697 52.037 0.078 0.000 0.700 39 A CB 1.617 20.646 19.000 0.047 0.000 1.296 39 A HN 0.781 8.931 8.150 -0.000 0.000 0.405 40 D N 0.302 120.792 120.400 0.150 0.000 2.144 40 D HA -0.014 4.639 4.640 0.022 0.000 0.200 40 D C 0.453 176.948 176.300 0.324 0.000 0.978 40 D CA 1.623 55.765 54.000 0.237 0.000 0.833 40 D CB 0.320 41.225 40.800 0.176 0.000 0.961 40 D HN 0.544 8.914 8.370 -0.000 0.000 0.470 41 K N 0.029 120.527 120.400 0.164 0.000 2.523 41 K HA 0.228 4.561 4.320 0.022 0.000 0.257 41 K C -1.411 175.100 176.600 -0.148 0.000 0.932 41 K CA -0.512 55.779 56.287 0.007 0.000 0.812 41 K CB 1.920 34.419 32.500 -0.001 0.000 1.326 41 K HN -0.253 7.997 8.250 -0.000 0.000 0.433 42 Q N 1.804 121.380 119.800 -0.373 0.000 2.307 42 Q HA 0.153 4.506 4.340 0.022 0.000 0.262 42 Q C 0.048 175.892 176.000 -0.259 0.000 0.961 42 Q CA -0.414 55.202 55.803 -0.312 0.000 0.882 42 Q CB 2.064 30.548 28.738 -0.423 0.000 1.264 42 Q HN 0.751 9.021 8.270 -0.000 0.000 0.446 43 T N 2.136 116.586 114.554 -0.173 0.000 3.067 43 T HA 0.170 4.533 4.350 0.022 0.000 0.257 43 T C 0.556 175.181 174.700 -0.124 0.000 1.105 43 T CA 0.646 62.664 62.100 -0.137 0.000 1.104 43 T CB 0.291 69.097 68.868 -0.103 0.000 0.925 43 T HN 0.514 8.754 8.240 -0.000 0.000 0.498 44 M N 1.882 121.407 119.600 -0.125 0.000 3.269 44 M HA 0.338 4.831 4.480 0.022 0.000 0.340 44 M C 0.299 176.558 176.300 -0.069 0.000 1.662 44 M CA -0.698 54.547 55.300 -0.092 0.000 0.547 44 M CB 1.126 33.676 32.600 -0.084 0.000 1.449 44 M HN 0.093 8.383 8.290 -0.000 0.000 0.459 45 G N 1.084 109.813 108.800 -0.117 0.000 2.255 45 G HA2 0.037 4.010 3.960 0.022 0.000 0.267 45 G HA3 0.037 4.010 3.960 0.022 0.000 0.267 45 G C -0.671 174.243 174.900 0.022 0.000 1.177 45 G CA 0.289 45.307 45.100 -0.136 0.000 1.027 45 G HN 0.645 8.935 8.290 -0.000 0.000 0.437 46 H N 2.054 121.071 119.070 -0.088 0.000 2.638 46 H HA 0.555 5.125 4.556 0.023 0.000 0.317 46 H C 0.429 175.750 175.328 -0.012 0.000 1.006 46 H CA 0.372 56.392 56.048 -0.047 0.000 1.222 46 H CB 1.524 31.262 29.762 -0.040 0.000 1.419 46 H HN 0.902 9.182 8.280 -0.000 0.000 0.489 55 S N 2.309 117.797 115.700 -0.354 0.000 2.158 55 S HA 0.480 4.964 4.470 0.022 0.000 0.160 55 S C -2.669 171.577 174.600 -0.590 0.000 1.693 55 S CA -1.052 56.683 58.200 -0.776 0.000 1.251 55 S CB 0.963 63.065 63.200 -1.830 0.000 1.153 55 S HN 0.084 8.394 8.310 -0.000 0.000 0.439 56 P HA 0.240 4.660 4.420 -0.000 0.000 0.274 56 P C -0.007 177.492 177.300 0.331 0.000 1.237 56 P CA -0.532 62.640 63.100 0.119 0.000 0.793 56 P CB 0.453 32.227 31.700 0.123 0.000 0.977 57 E N 0.809 121.135 120.200 0.209 0.000 2.452 57 E HA 0.287 4.650 4.350 0.022 0.000 0.261 57 E C 1.178 177.888 176.600 0.184 0.000 0.987 57 E CA 1.492 58.019 56.400 0.211 0.000 0.926 57 E CB -0.638 29.133 29.700 0.117 0.000 0.934 57 E HN 0.707 9.067 8.360 -0.000 0.000 0.452 58 G N 2.274 111.154 108.800 0.133 0.000 2.316 58 G HA2 -0.137 3.837 3.960 0.022 0.000 0.203 58 G HA3 -0.137 3.837 3.960 0.022 0.000 0.203 58 G C 0.486 175.336 174.900 -0.083 0.000 0.999 58 G CA -0.111 45.009 45.100 0.035 0.000 0.649 58 G HN 0.929 9.219 8.290 -0.000 0.000 0.489 59 G N -0.522 108.194 108.800 -0.141 0.000 2.511 59 G HA2 0.676 4.649 3.960 0.022 0.000 0.316 59 G HA3 0.676 4.649 3.960 0.022 0.000 0.316 59 G C -0.770 173.414 174.900 -1.194 0.000 1.210 59 G CA -0.541 44.090 45.100 -0.781 0.000 0.969 59 G HN 0.895 9.185 8.290 -0.000 0.000 0.492 60 L N 0.485 120.974 121.223 -1.225 0.000 2.277 60 L HA 0.594 4.947 4.340 0.022 0.000 0.284 60 L C -1.396 175.022 176.870 -0.754 0.000 1.028 60 L CA -1.107 53.289 54.840 -0.740 0.000 0.835 60 L CB 0.310 42.159 42.059 -0.350 0.000 1.215 60 L HN 0.505 8.735 8.230 -0.000 0.000 0.425 61 W N 7.524 128.850 121.300 0.043 0.000 2.411 61 W HA 0.632 5.302 4.660 0.015 0.000 0.317 61 W C -0.876 175.681 176.519 0.063 0.000 1.030 61 W CA -0.939 56.428 57.345 0.036 0.000 1.239 61 W CB 1.103 30.574 29.460 0.017 0.000 1.304 61 W HN 0.402 8.582 8.180 -0.000 0.000 0.437 62 L N 0.589 121.961 121.223 0.249 0.000 2.479 62 L HA 0.944 5.297 4.340 0.022 0.000 0.255 62 L C -0.479 176.481 176.870 0.150 0.000 1.026 62 L CA -0.990 53.971 54.840 0.203 0.000 0.842 62 L CB 1.988 44.184 42.059 0.227 0.000 1.444 62 L HN 0.088 8.318 8.230 -0.000 0.000 0.409 63 S N 0.706 116.488 115.700 0.137 0.000 2.569 63 S HA 0.863 5.346 4.470 0.022 0.000 0.280 63 S C -0.884 173.758 174.600 0.069 0.000 1.111 63 S CA -0.439 57.816 58.200 0.091 0.000 0.887 63 S CB 1.656 64.920 63.200 0.107 0.000 1.095 63 S HN 0.594 8.904 8.310 -0.000 0.000 0.476 64 I N 1.649 122.224 120.570 0.008 0.000 2.498 64 I HA 0.411 4.594 4.170 0.022 0.000 0.290 64 I C -0.852 175.226 176.117 -0.065 0.000 1.032 64 I CA -0.957 60.322 61.300 -0.036 0.000 1.073 64 I CB 1.956 39.894 38.000 -0.104 0.000 1.251 64 I HN 0.263 8.473 8.210 -0.000 0.000 0.426 65 V N 7.202 127.080 119.914 -0.060 0.000 2.461 65 V HA 0.419 4.552 4.120 0.022 0.000 0.275 65 V C 0.060 176.080 176.094 -0.123 0.000 1.047 65 V CA -0.174 62.080 62.300 -0.076 0.000 0.955 65 V CB 1.023 32.805 31.823 -0.067 0.000 0.988 65 V HN 0.451 8.641 8.190 -0.000 0.000 0.471 66 L N 3.674 124.825 121.223 -0.121 0.000 2.371 66 L HA 0.644 4.997 4.340 0.022 0.000 0.262 66 L C -0.018 176.849 176.870 -0.006 0.000 1.006 66 L CA -0.389 54.375 54.840 -0.127 0.000 0.818 66 L CB 2.357 44.267 42.059 -0.248 0.000 1.354 66 L HN 0.538 8.768 8.230 -0.000 0.000 0.415 67 S N 2.011 117.764 115.700 0.088 0.000 2.359 67 S HA 0.337 4.820 4.470 0.022 0.000 0.148 67 S C -2.514 172.201 174.600 0.191 0.000 1.610 67 S CA -0.918 57.347 58.200 0.108 0.000 1.274 67 S CB 0.340 63.581 63.200 0.068 0.000 1.380 67 S HN 0.386 8.696 8.310 -0.000 0.000 0.380 68 P HA 0.127 4.547 4.420 -0.000 0.000 0.267 68 P C -0.733 176.665 177.300 0.164 0.000 1.205 68 P CA -0.139 63.143 63.100 0.303 0.000 0.765 68 P CB 0.507 32.483 31.700 0.461 0.000 0.828 69 K N 3.595 124.051 120.400 0.093 0.000 2.333 69 K HA 0.316 4.649 4.320 0.022 0.000 0.241 69 K C -0.187 176.414 176.600 0.001 0.000 1.193 69 K CA -0.507 55.805 56.287 0.042 0.000 1.142 69 K CB -0.351 32.160 32.500 0.019 0.000 1.731 69 K HN 0.403 8.653 8.250 -0.000 0.000 0.344 70 V N -0.598 119.330 119.914 0.023 0.000 3.130 70 V HA 0.622 4.755 4.120 0.022 0.000 0.310 70 V C -2.776 173.330 176.094 0.019 0.000 1.158 70 V CA -2.603 59.678 62.300 -0.031 0.000 1.029 70 V CB 1.149 32.903 31.823 -0.115 0.000 1.057 70 V HN 0.306 8.496 8.190 -0.000 0.000 0.436 71 P HA 0.170 4.590 4.420 -0.000 0.000 0.266 71 P C 0.648 177.997 177.300 0.082 0.000 1.193 71 P CA -0.034 63.090 63.100 0.041 0.000 0.770 71 P CB 0.460 32.181 31.700 0.034 0.000 0.836 72 Q N 2.590 122.442 119.800 0.087 0.000 2.152 72 Q HA -0.228 4.125 4.340 0.022 0.000 0.206 72 Q C 1.705 177.801 176.000 0.160 0.000 0.985 72 Q CA 1.862 57.730 55.803 0.109 0.000 0.863 72 Q CB -0.367 28.426 28.738 0.091 0.000 0.904 72 Q HN 0.637 8.907 8.270 -0.000 0.000 0.422 73 K N 0.098 120.613 120.400 0.192 0.000 2.281 73 K HA -0.136 4.197 4.320 0.022 0.000 0.203 73 K C 0.822 177.604 176.600 0.303 0.000 1.046 73 K CA 1.542 58.037 56.287 0.345 0.000 0.938 73 K CB 0.060 32.732 32.500 0.286 0.000 0.737 73 K HN 0.009 8.259 8.250 -0.000 0.000 0.458 74 D N 1.014 121.533 120.400 0.198 0.000 2.350 74 D HA -0.029 4.624 4.640 0.022 0.000 0.213 74 D C 1.713 178.165 176.300 0.254 0.000 1.031 74 D CA 0.079 54.202 54.000 0.206 0.000 0.861 74 D CB 0.184 41.064 40.800 0.133 0.000 0.926 74 D HN 0.133 8.503 8.370 -0.000 0.000 0.520 75 L N 2.004 123.335 121.223 0.180 0.000 2.043 75 L HA -0.098 4.255 4.340 0.022 0.000 0.212 75 L C -1.058 175.823 176.870 0.018 0.000 1.075 75 L CA 2.070 56.989 54.840 0.131 0.000 0.752 75 L CB -1.856 40.257 42.059 0.089 0.000 0.891 75 L HN -0.078 8.152 8.230 -0.000 0.000 0.432 76 P HA -0.132 4.288 4.420 -0.000 0.000 0.225 76 P C 1.200 178.344 177.300 -0.259 0.000 1.148 76 P CA 1.339 64.335 63.100 -0.173 0.000 0.779 76 P CB -0.045 31.390 31.700 -0.442 0.000 0.780 77 K N -0.968 119.358 120.400 -0.124 0.000 2.486 77 K HA 0.044 4.378 4.320 0.022 0.000 0.194 77 K C 1.572 178.028 176.600 -0.240 0.000 1.033 77 K CA 0.435 56.673 56.287 -0.082 0.000 1.004 77 K CB -0.230 32.484 32.500 0.356 0.000 0.798 77 K HN 0.144 8.394 8.250 -0.000 0.000 0.495 78 I N 0.854 121.239 120.570 -0.309 0.000 2.286 78 I HA -0.214 3.969 4.170 0.022 0.000 0.248 78 I C 2.316 178.244 176.117 -0.314 0.000 1.115 78 I CA 1.065 62.145 61.300 -0.368 0.000 1.392 78 I CB -0.925 36.910 38.000 -0.275 0.000 1.065 78 I HN -0.027 8.183 8.210 -0.000 0.000 0.418 79 V N 0.994 120.661 119.914 -0.412 0.000 2.343 79 V HA -0.285 3.848 4.120 0.022 0.000 0.247 79 V C 2.457 178.387 176.094 -0.272 0.000 1.051 79 V CA 1.792 63.838 62.300 -0.424 0.000 1.036 79 V CB -0.442 30.970 31.823 -0.686 0.000 0.654 79 V HN 0.150 8.340 8.190 -0.000 0.000 0.451 80 F N -0.273 119.571 119.950 -0.175 0.000 2.171 80 F HA -0.072 4.468 4.527 0.020 0.000 0.300 80 F C 2.149 177.896 175.800 -0.088 0.000 1.090 80 F CA 1.457 59.393 58.000 -0.108 0.000 1.293 80 F CB -1.143 37.838 39.000 -0.031 0.000 1.013 80 F HN 0.148 8.448 8.300 -0.000 0.000 0.486 81 L N -0.088 121.158 121.223 0.037 0.000 2.046 81 L HA -0.104 4.249 4.340 0.022 0.000 0.208 81 L C 2.557 179.405 176.870 -0.037 0.000 1.077 81 L CA 1.765 56.590 54.840 -0.025 0.000 0.747 81 L CB -0.979 40.977 42.059 -0.171 0.000 0.896 81 L HN 0.218 8.448 8.230 -0.000 0.000 0.432 82 G N -1.032 107.722 108.800 -0.077 0.000 2.421 82 G HA2 -0.278 3.695 3.960 0.022 0.000 0.216 82 G HA3 -0.278 3.695 3.960 0.022 0.000 0.216 82 G C 1.623 176.498 174.900 -0.041 0.000 1.171 82 G CA 0.708 45.763 45.100 -0.074 0.000 0.775 82 G HN 0.569 8.859 8.290 -0.000 0.000 0.543 83 A N 0.130 122.939 122.820 -0.018 0.000 1.877 83 A HA 0.055 4.388 4.320 0.022 0.000 0.216 83 A C 2.610 180.200 177.584 0.011 0.000 1.186 83 A CA 1.888 53.926 52.037 0.002 0.000 0.620 83 A CB -0.715 18.307 19.000 0.036 0.000 0.822 83 A HN 0.264 8.414 8.150 -0.000 0.000 0.443 84 V N -0.004 119.928 119.914 0.029 0.000 2.343 84 V HA -0.192 3.942 4.120 0.022 0.000 0.247 84 V C 2.819 178.919 176.094 0.010 0.000 1.051 84 V CA 1.933 64.248 62.300 0.024 0.000 1.036 84 V CB -1.471 30.377 31.823 0.042 0.000 0.654 84 V HN 0.628 8.818 8.190 -0.000 0.000 0.451 85 G N -0.229 108.570 108.800 -0.001 0.000 2.440 85 G HA2 -0.227 3.746 3.960 0.022 0.000 0.218 85 G HA3 -0.227 3.746 3.960 0.022 0.000 0.218 85 G C 1.677 176.564 174.900 -0.020 0.000 1.154 85 G CA 1.306 46.398 45.100 -0.014 0.000 0.767 85 G HN 0.389 8.679 8.290 -0.000 0.000 0.552 86 V N 0.380 120.277 119.914 -0.027 0.000 2.343 86 V HA -0.167 3.966 4.120 0.022 0.000 0.247 86 V C 3.038 179.121 176.094 -0.020 0.000 1.051 86 V CA 1.481 63.760 62.300 -0.035 0.000 1.036 86 V CB -0.369 31.429 31.823 -0.041 0.000 0.654 86 V HN 0.252 8.442 8.190 -0.000 0.000 0.451 87 V N -0.147 119.761 119.914 -0.010 0.000 2.332 87 V HA -0.224 3.909 4.120 0.022 0.000 0.248 87 V C 2.613 178.713 176.094 0.010 0.000 1.055 87 V CA 1.908 64.206 62.300 -0.003 0.000 1.038 87 V CB -0.628 31.194 31.823 -0.002 0.000 0.651 87 V HN 0.565 8.755 8.190 -0.000 0.000 0.450 88 E N -0.113 120.095 120.200 0.013 0.000 2.110 88 E HA -0.172 4.191 4.350 0.022 0.000 0.193 88 E C 2.315 178.943 176.600 0.045 0.000 0.988 88 E CA 1.794 58.208 56.400 0.022 0.000 0.804 88 E CB -0.588 29.123 29.700 0.018 0.000 0.745 88 E HN 0.575 8.935 8.360 -0.000 0.000 0.458 89 T N 1.906 116.489 114.554 0.048 0.000 2.777 89 T HA -0.050 4.314 4.350 0.022 0.000 0.266 89 T C 2.133 176.943 174.700 0.183 0.000 1.040 89 T CA 0.636 62.802 62.100 0.110 0.000 1.141 89 T CB -0.190 68.704 68.868 0.044 0.000 0.868 89 T HN 0.075 8.315 8.240 -0.000 0.000 0.444 90 L N 0.554 121.825 121.223 0.080 0.000 2.042 90 L HA -0.138 4.215 4.340 0.022 0.000 0.210 90 L C 2.640 179.587 176.870 0.128 0.000 1.076 90 L CA 1.448 56.338 54.840 0.083 0.000 0.749 90 L CB -0.485 41.580 42.059 0.011 0.000 0.893 90 L HN 0.239 8.470 8.230 -0.000 0.000 0.432 91 K N 0.080 120.528 120.400 0.080 0.000 2.063 91 K HA -0.209 4.124 4.320 0.022 0.000 0.208 91 K C 1.951 178.584 176.600 0.055 0.000 1.048 91 K CA 1.494 57.813 56.287 0.053 0.000 0.928 91 K CB -0.142 32.373 32.500 0.026 0.000 0.713 91 K HN 0.377 8.627 8.250 -0.000 0.000 0.442 92 E N -0.258 119.988 120.200 0.077 0.000 2.204 92 E HA -0.143 4.220 4.350 0.022 0.000 0.195 92 E C 0.920 177.446 176.600 -0.124 0.000 0.990 92 E CA 0.875 57.265 56.400 -0.016 0.000 0.821 92 E CB 0.001 29.695 29.700 -0.010 0.000 0.750 92 E HN 0.234 8.594 8.360 -0.000 0.000 0.477 93 F N 0.423 120.360 119.950 -0.022 0.000 2.645 93 F HA 0.066 4.606 4.527 0.022 0.000 0.300 93 F C 0.846 176.634 175.800 -0.020 0.000 1.115 93 F CA 0.449 58.437 58.000 -0.021 0.000 1.355 93 F CB 0.104 39.090 39.000 -0.024 0.000 1.026 93 F HN -0.120 8.180 8.300 -0.000 0.000 0.536 94 S N -0.702 115.048 115.700 0.083 0.000 3.561 94 S HA -0.272 4.211 4.470 0.022 0.000 0.318 94 S C -0.070 174.561 174.600 0.051 0.000 1.181 94 S CA 0.435 58.662 58.200 0.045 0.000 0.916 94 S CB -2.848 60.365 63.200 0.022 0.000 0.966 94 S HN 0.347 8.657 8.310 -0.000 0.000 0.550 95 I N 1.256 121.866 120.570 0.067 0.000 2.377 95 I HA 0.388 4.571 4.170 0.022 0.000 0.293 95 I C 0.089 176.213 176.117 0.012 0.000 0.987 95 I CA -0.620 60.701 61.300 0.034 0.000 1.185 95 I CB 1.373 39.391 38.000 0.031 0.000 1.341 95 I HN 0.109 8.319 8.210 -0.000 0.000 0.455 96 D N 5.959 126.353 120.400 -0.009 0.000 2.522 96 D HA 0.259 4.913 4.640 0.022 0.000 0.218 96 D C 0.194 176.466 176.300 -0.048 0.000 1.149 96 D CA -0.014 53.971 54.000 -0.026 0.000 0.981 96 D CB 0.618 41.398 40.800 -0.033 0.000 1.041 96 D HN 0.650 9.020 8.370 -0.000 0.000 0.518 97 G N 2.862 111.639 108.800 -0.040 0.000 2.377 97 G HA2 0.513 4.486 3.960 0.022 0.000 0.299 97 G HA3 0.513 4.486 3.960 0.022 0.000 0.299 97 G C -0.077 174.786 174.900 -0.061 0.000 1.150 97 G CA -0.640 44.427 45.100 -0.055 0.000 0.847 97 G HN 0.247 8.537 8.290 -0.000 0.000 0.501 98 R N 0.926 121.374 120.500 -0.087 0.000 2.807 98 R HA 0.401 4.754 4.340 0.022 0.000 0.276 98 R C -0.528 175.752 176.300 -0.034 0.000 0.979 98 R CA -0.944 55.109 56.100 -0.078 0.000 0.928 98 R CB 2.169 32.381 30.300 -0.147 0.000 1.191 98 R HN 0.468 8.738 8.270 -0.000 0.000 0.471 99 I N 1.868 122.445 120.570 0.011 0.000 2.371 99 I HA 0.193 4.376 4.170 0.022 0.000 0.290 99 I C 0.748 176.962 176.117 0.161 0.000 1.028 99 I CA -0.247 61.093 61.300 0.066 0.000 1.345 99 I CB 0.809 38.845 38.000 0.060 0.000 1.407 99 I HN 0.199 8.409 8.210 -0.000 0.000 0.501 100 K N 7.443 127.966 120.400 0.203 0.000 2.268 100 K HA 0.106 4.439 4.320 0.022 0.000 0.276 100 K C -0.619 176.126 176.600 0.241 0.000 1.080 100 K CA -0.622 55.868 56.287 0.337 0.000 0.910 100 K CB 0.619 33.330 32.500 0.351 0.000 1.163 100 K HN 0.545 8.794 8.250 -0.000 0.000 0.465 101 W N 8.197 129.544 121.300 0.078 0.000 2.343 101 W HA -0.007 4.664 4.660 0.019 0.000 0.337 101 W C -1.853 174.678 176.519 0.020 0.000 1.320 101 W CA -0.988 56.388 57.345 0.053 0.000 1.290 101 W CB 0.902 30.395 29.460 0.056 0.000 1.206 101 W HN 0.550 8.730 8.180 -0.000 0.000 0.565 102 P HA 0.036 4.456 4.420 -0.000 0.000 0.282 102 P C -0.003 177.084 177.300 -0.353 0.000 1.327 102 P CA 0.583 63.224 63.100 -0.765 0.000 0.949 102 P CB 0.602 31.354 31.700 -1.580 0.000 1.445 103 N N -1.125 117.395 118.700 -0.299 0.000 2.118 103 N HA 0.082 4.835 4.740 0.022 0.000 0.226 103 N C -0.530 174.918 175.510 -0.103 0.000 1.305 103 N CA -0.069 52.850 53.050 -0.218 0.000 0.890 103 N CB 0.099 38.403 38.487 -0.306 0.000 1.118 103 N HN -0.155 8.225 8.380 -0.000 0.000 0.511 104 D N 0.565 120.938 120.400 -0.045 0.000 2.272 104 D HA 0.452 5.105 4.640 0.022 0.000 0.247 104 D C -0.497 175.820 176.300 0.028 0.000 0.990 104 D CA -0.434 53.566 54.000 -0.002 0.000 0.931 104 D CB 2.956 43.772 40.800 0.026 0.000 1.195 104 D HN -0.190 8.180 8.370 -0.000 0.000 0.477 105 V N 1.876 121.801 119.914 0.018 0.000 2.487 105 V HA 0.457 4.590 4.120 0.022 0.000 0.298 105 V C -0.084 176.013 176.094 0.006 0.000 1.028 105 V CA -0.716 61.589 62.300 0.008 0.000 0.860 105 V CB 1.401 33.217 31.823 -0.012 0.000 0.991 105 V HN 0.299 8.489 8.190 -0.000 0.000 0.427 106 L N 4.599 125.813 121.223 -0.016 0.000 2.333 106 L HA 0.815 5.168 4.340 0.022 0.000 0.269 106 L C -0.931 175.876 176.870 -0.104 0.000 1.010 106 L CA -1.054 53.761 54.840 -0.041 0.000 0.818 106 L CB 2.350 44.381 42.059 -0.047 0.000 1.306 106 L HN 0.324 8.554 8.230 -0.000 0.000 0.430 107 V N 0.887 120.750 119.914 -0.085 0.000 2.525 107 V HA 0.262 4.395 4.120 0.022 0.000 0.299 107 V C 0.281 176.327 176.094 -0.079 0.000 1.034 107 V CA -0.569 61.676 62.300 -0.092 0.000 0.863 107 V CB 1.230 33.025 31.823 -0.047 0.000 0.999 107 V HN 0.975 9.165 8.190 -0.000 0.000 0.423 108 N N 3.820 122.445 118.700 -0.125 0.000 2.735 108 N HA -0.269 4.484 4.740 0.022 0.000 0.248 108 N C -0.152 175.424 175.510 0.111 0.000 1.083 108 N CA 0.876 53.915 53.050 -0.018 0.000 0.703 108 N CB -0.806 37.699 38.487 0.029 0.000 1.005 108 N HN 0.897 9.277 8.380 -0.000 0.000 0.550 109 Y N -3.054 117.217 120.300 -0.048 0.000 4.324 109 Y HA -0.317 4.238 4.550 0.007 0.000 0.224 109 Y C 0.076 175.987 175.900 0.018 0.000 1.113 109 Y CA 1.397 59.477 58.100 -0.034 0.000 1.887 109 Y CB -1.472 36.956 38.460 -0.053 0.000 1.602 109 Y HN 0.262 8.542 8.280 -0.000 0.000 0.654 110 K N 0.842 121.308 120.400 0.110 0.000 2.206 110 K HA 0.351 4.684 4.320 0.022 0.000 0.264 110 K C 0.130 176.766 176.600 0.060 0.000 0.967 110 K CA -1.139 55.202 56.287 0.089 0.000 0.844 110 K CB 1.725 34.262 32.500 0.062 0.000 1.099 110 K HN 0.029 8.279 8.250 -0.000 0.000 0.441 111 K N 3.539 123.981 120.400 0.070 0.000 2.416 111 K HA 0.051 4.385 4.320 0.022 0.000 0.283 111 K C 0.335 176.956 176.600 0.035 0.000 1.037 111 K CA 0.177 56.496 56.287 0.054 0.000 0.995 111 K CB 0.396 32.933 32.500 0.061 0.000 0.938 111 K HN 0.645 8.895 8.250 -0.000 0.000 0.475 112 I N 2.578 123.157 120.570 0.016 0.000 4.187 112 I HA 0.228 4.412 4.170 0.022 0.000 0.326 112 I C -0.404 175.709 176.117 -0.007 0.000 1.302 112 I CA 0.042 61.341 61.300 -0.002 0.000 1.196 112 I CB 0.678 38.663 38.000 -0.026 0.000 1.095 112 I HN 0.695 8.905 8.210 -0.000 0.000 0.411 113 A N -0.379 122.443 122.820 0.003 0.000 2.612 113 A HA 0.748 5.082 4.320 0.022 0.000 0.293 113 A C -0.799 176.791 177.584 0.010 0.000 1.075 113 A CA -0.131 51.908 52.037 0.004 0.000 0.680 113 A CB 1.075 20.058 19.000 -0.028 0.000 1.279 113 A HN 0.165 8.315 8.150 -0.000 0.000 0.411 114 G N -0.445 108.364 108.800 0.015 0.000 2.638 114 G HA2 0.634 4.607 3.960 0.022 0.000 0.302 114 G HA3 0.634 4.607 3.960 0.022 0.000 0.302 114 G C -1.519 173.361 174.900 -0.033 0.000 1.365 114 G CA -0.497 44.595 45.100 -0.014 0.000 0.987 114 G HN 1.174 9.464 8.290 -0.000 0.000 0.495 115 V N 1.632 121.498 119.914 -0.080 0.000 2.555 115 V HA 0.676 4.809 4.120 0.022 0.000 0.302 115 V C -0.801 175.205 176.094 -0.146 0.000 1.038 115 V CA -0.850 61.388 62.300 -0.103 0.000 0.887 115 V CB 1.632 33.381 31.823 -0.124 0.000 0.991 115 V HN 0.671 8.861 8.190 -0.000 0.000 0.434 116 L N 5.903 127.047 121.223 -0.131 0.000 2.406 116 L HA 0.690 5.043 4.340 0.022 0.000 0.270 116 L C -0.785 176.020 176.870 -0.108 0.000 0.982 116 L CA -0.073 54.675 54.840 -0.153 0.000 0.843 116 L CB 1.842 43.776 42.059 -0.208 0.000 1.225 116 L HN 0.446 8.676 8.230 -0.000 0.000 0.412 117 V N 4.676 124.522 119.914 -0.113 0.000 2.435 117 V HA 0.593 4.726 4.120 0.022 0.000 0.290 117 V C -0.161 175.912 176.094 -0.035 0.000 1.030 117 V CA -0.553 61.698 62.300 -0.082 0.000 0.881 117 V CB 1.688 33.440 31.823 -0.118 0.000 0.983 117 V HN 0.766 8.956 8.190 -0.000 0.000 0.445 118 E N 1.992 122.185 120.200 -0.011 0.000 2.343 118 E HA 0.716 5.079 4.350 0.022 0.000 0.270 118 E C -0.301 176.299 176.600 0.001 0.000 0.895 118 E CA -0.709 55.697 56.400 0.011 0.000 0.767 118 E CB 2.657 32.383 29.700 0.043 0.000 1.248 118 E HN 0.819 9.179 8.360 -0.000 0.000 0.440 119 G N 1.141 109.944 108.800 0.005 0.000 2.482 119 G HA2 0.567 4.540 3.960 0.022 0.000 0.317 119 G HA3 0.567 4.540 3.960 0.022 0.000 0.317 119 G C -1.175 173.728 174.900 0.006 0.000 1.241 119 G CA -0.458 44.645 45.100 0.005 0.000 0.967 119 G HN 0.292 8.582 8.290 -0.000 0.000 0.482 120 K N 1.604 122.008 120.400 0.006 0.000 2.761 120 K HA 0.499 4.832 4.320 0.022 0.000 0.257 120 K C 0.667 177.276 176.600 0.015 0.000 1.053 120 K CA 0.272 56.563 56.287 0.006 0.000 1.035 120 K CB 0.410 32.909 32.500 -0.002 0.000 1.267 120 K HN 1.529 9.779 8.250 -0.000 0.000 0.505 121 G N 3.397 112.209 108.800 0.019 0.000 2.561 121 G HA2 -0.320 3.653 3.960 0.022 0.000 0.289 121 G HA3 -0.320 3.653 3.960 0.022 0.000 0.289 121 G C 0.222 175.141 174.900 0.032 0.000 1.169 121 G CA 0.414 45.530 45.100 0.027 0.000 0.980 121 G HN 0.673 8.963 8.290 -0.000 0.000 0.550 122 D N 1.394 121.817 120.400 0.039 0.000 2.340 122 D HA 0.086 4.739 4.640 0.022 0.000 0.220 122 D C 1.154 177.476 176.300 0.037 0.000 1.039 122 D CA 0.795 54.821 54.000 0.044 0.000 0.866 122 D CB 0.285 41.116 40.800 0.052 0.000 0.913 122 D HN 0.509 8.879 8.370 -0.000 0.000 0.523 123 K N 1.345 121.758 120.400 0.022 0.000 2.183 123 K HA 0.266 4.599 4.320 0.022 0.000 0.274 123 K C -0.763 175.837 176.600 -0.000 0.000 1.009 123 K CA -0.447 55.841 56.287 0.002 0.000 0.888 123 K CB 1.071 33.559 32.500 -0.018 0.000 1.078 123 K HN -0.262 7.988 8.250 -0.000 0.000 0.459 124 I N 4.821 125.385 120.570 -0.010 0.000 2.433 124 I HA 0.242 4.425 4.170 0.022 0.000 0.292 124 I C -0.583 175.508 176.117 -0.043 0.000 1.001 124 I CA -0.911 60.377 61.300 -0.020 0.000 1.119 124 I CB 1.655 39.646 38.000 -0.016 0.000 1.289 124 I HN 0.373 8.583 8.210 -0.000 0.000 0.438 125 V N 6.958 126.851 119.914 -0.035 0.000 2.347 125 V HA 0.292 4.425 4.120 0.022 0.000 0.280 125 V C -0.196 175.871 176.094 -0.044 0.000 1.021 125 V CA -0.716 61.565 62.300 -0.031 0.000 0.847 125 V CB 1.921 33.742 31.823 -0.003 0.000 0.990 125 V HN 0.451 8.641 8.190 -0.000 0.000 0.444 126 L N 6.081 127.265 121.223 -0.066 0.000 2.264 126 L HA 0.801 5.154 4.340 0.022 0.000 0.287 126 L C 0.505 177.349 176.870 -0.044 0.000 1.039 126 L CA 0.246 55.036 54.840 -0.083 0.000 0.829 126 L CB 0.657 42.636 42.059 -0.132 0.000 1.211 126 L HN 0.618 8.848 8.230 -0.000 0.000 0.427 127 G N 6.021 114.803 108.800 -0.030 0.000 2.356 127 G HA2 0.662 4.635 3.960 0.022 0.000 0.322 127 G HA3 0.662 4.635 3.960 0.022 0.000 0.322 127 G C -0.926 173.972 174.900 -0.003 0.000 1.125 127 G CA -0.473 44.631 45.100 0.008 0.000 0.885 127 G HN 0.595 8.885 8.290 -0.000 0.000 0.467 128 I N 1.122 121.714 120.570 0.037 0.000 2.569 128 I HA 0.500 4.683 4.170 0.022 0.000 0.290 128 I C 0.215 176.398 176.117 0.110 0.000 1.088 128 I CA -0.871 60.449 61.300 0.033 0.000 1.047 128 I CB 2.712 40.709 38.000 -0.005 0.000 1.237 128 I HN 0.603 8.813 8.210 -0.000 0.000 0.421 129 G N 6.032 114.913 108.800 0.135 0.000 2.557 129 G HA2 0.656 4.630 3.960 0.022 0.000 0.310 129 G HA3 0.656 4.630 3.960 0.022 0.000 0.310 129 G C -1.736 173.214 174.900 0.083 0.000 1.328 129 G CA -0.368 44.912 45.100 0.299 0.000 0.945 129 G HN 0.374 8.664 8.290 -0.000 0.000 0.494 130 L N 2.156 123.270 121.223 -0.182 0.000 2.376 130 L HA 0.524 4.877 4.340 0.022 0.000 0.275 130 L C -0.906 175.740 176.870 -0.373 0.000 0.987 130 L CA -1.083 53.625 54.840 -0.220 0.000 0.828 130 L CB 1.726 43.657 42.059 -0.213 0.000 1.249 130 L HN 0.350 8.580 8.230 -0.000 0.000 0.409 131 N N 4.109 122.701 118.700 -0.180 0.000 2.416 131 N HA 0.203 4.956 4.740 0.022 0.000 0.265 131 N C 0.405 175.811 175.510 -0.173 0.000 1.195 131 N CA -0.011 52.955 53.050 -0.140 0.000 0.943 131 N CB 1.780 40.264 38.487 -0.006 0.000 1.115 131 N HN 0.565 8.945 8.380 -0.000 0.000 0.481 132 V N 2.447 122.233 119.914 -0.212 0.000 3.204 132 V HA 0.103 4.236 4.120 0.022 0.000 0.218 132 V C 1.243 177.272 176.094 -0.108 0.000 1.159 132 V CA 0.464 62.653 62.300 -0.186 0.000 1.282 132 V CB 0.035 31.715 31.823 -0.237 0.000 1.225 132 V HN 0.570 8.760 8.190 -0.000 0.000 0.509 133 N N 0.951 119.599 118.700 -0.087 0.000 2.184 133 N HA 0.096 4.849 4.740 0.022 0.000 0.206 133 N C 0.130 175.641 175.510 0.002 0.000 1.151 133 N CA -0.073 52.956 53.050 -0.036 0.000 0.878 133 N CB 0.128 38.597 38.487 -0.031 0.000 1.014 133 N HN 0.643 9.023 8.380 -0.000 0.000 0.512 134 N N 1.303 120.016 118.700 0.022 0.000 2.467 134 N HA 0.041 4.794 4.740 0.022 0.000 0.262 134 N C -0.110 175.445 175.510 0.076 0.000 1.234 134 N CA 0.076 53.179 53.050 0.087 0.000 0.952 134 N CB 1.366 39.975 38.487 0.204 0.000 1.158 134 N HN -0.120 8.260 8.380 -0.000 0.000 0.463 135 K N -0.018 120.427 120.400 0.075 0.000 2.414 135 K HA 0.142 4.475 4.320 0.022 0.000 0.272 135 K C 0.174 176.818 176.600 0.074 0.000 0.993 135 K CA -0.344 55.978 56.287 0.059 0.000 0.964 135 K CB 0.615 33.143 32.500 0.047 0.000 0.925 135 K HN 0.568 8.818 8.250 -0.000 0.000 0.487 136 V N -0.308 119.641 119.914 0.058 0.000 3.046 136 V HA 0.570 4.703 4.120 0.022 0.000 0.316 136 V C -2.490 173.632 176.094 0.046 0.000 1.104 136 V CA -2.237 60.101 62.300 0.064 0.000 1.006 136 V CB 1.068 32.927 31.823 0.060 0.000 1.058 136 V HN 0.611 8.801 8.190 -0.000 0.000 0.440 137 P HA 0.226 4.646 4.420 -0.000 0.000 0.274 137 P C -0.293 177.026 177.300 0.031 0.000 1.246 137 P CA -0.418 62.700 63.100 0.031 0.000 0.795 137 P CB 0.246 31.962 31.700 0.028 0.000 1.006 138 N N 0.789 119.504 118.700 0.025 0.000 2.412 138 N HA 0.015 4.768 4.740 0.022 0.000 0.258 138 N C 1.190 176.719 175.510 0.032 0.000 1.236 138 N CA 1.580 54.646 53.050 0.026 0.000 0.882 138 N CB 0.137 38.636 38.487 0.021 0.000 1.066 138 N HN 0.733 9.113 8.380 -0.000 0.000 0.465 139 G N 1.585 110.407 108.800 0.036 0.000 2.268 139 G HA2 -0.251 3.722 3.960 0.022 0.000 0.240 139 G HA3 -0.251 3.722 3.960 0.022 0.000 0.240 139 G C 0.191 175.123 174.900 0.053 0.000 1.010 139 G CA 0.398 45.526 45.100 0.046 0.000 0.618 139 G HN 0.955 9.245 8.290 -0.000 0.000 0.516 140 A N -0.719 122.129 122.820 0.047 0.000 2.246 140 A HA 0.903 5.236 4.320 0.022 0.000 0.291 140 A C 0.450 178.057 177.584 0.040 0.000 1.103 140 A CA 1.142 53.208 52.037 0.048 0.000 0.844 140 A CB 1.245 20.276 19.000 0.050 0.000 1.136 140 A HN 1.389 9.539 8.150 -0.000 0.000 0.500 141 T N -1.501 113.072 114.554 0.033 0.000 2.778 141 T HA 0.691 5.054 4.350 0.022 0.000 0.293 141 T C -0.580 174.126 174.700 0.009 0.000 1.144 141 T CA 0.204 62.317 62.100 0.021 0.000 1.010 141 T CB 1.217 70.095 68.868 0.015 0.000 1.325 141 T HN 1.835 10.075 8.240 -0.000 0.000 0.515 142 S N 0.543 116.241 115.700 -0.004 0.000 2.618 142 S HA 0.465 4.948 4.470 0.022 0.000 0.277 142 S C 1.197 175.772 174.600 -0.041 0.000 1.138 142 S CA -0.890 57.294 58.200 -0.026 0.000 0.844 142 S CB 1.230 64.419 63.200 -0.019 0.000 1.127 142 S HN 0.736 9.046 8.310 -0.000 0.000 0.474 143 M N 1.087 120.642 119.600 -0.076 0.000 2.159 143 M HA -0.070 4.423 4.480 0.022 0.000 0.263 143 M C 2.242 178.516 176.300 -0.044 0.000 1.063 143 M CA 1.808 57.059 55.300 -0.081 0.000 1.110 143 M CB -0.580 31.922 32.600 -0.164 0.000 1.374 143 M HN 0.883 9.173 8.290 -0.000 0.000 0.411 144 K N 1.108 121.484 120.400 -0.041 0.000 2.097 144 K HA -0.108 4.225 4.320 0.022 0.000 0.205 144 K C 1.741 178.338 176.600 -0.005 0.000 1.050 144 K CA 1.090 57.366 56.287 -0.018 0.000 0.938 144 K CB -0.049 32.441 32.500 -0.017 0.000 0.718 144 K HN 0.295 8.545 8.250 -0.000 0.000 0.442 145 L N 0.789 122.009 121.223 -0.005 0.000 2.093 145 L HA -0.130 4.223 4.340 0.022 0.000 0.208 145 L C 2.337 179.209 176.870 0.004 0.000 1.085 145 L CA 0.905 55.746 54.840 0.003 0.000 0.755 145 L CB -0.256 41.806 42.059 0.005 0.000 0.904 145 L HN 0.217 8.447 8.230 -0.000 0.000 0.435 146 E N 0.065 120.266 120.200 0.001 0.000 2.112 146 E HA -0.077 4.286 4.350 0.022 0.000 0.190 146 E C 2.231 178.839 176.600 0.013 0.000 0.979 146 E CA 1.011 57.414 56.400 0.005 0.000 0.814 146 E CB 0.045 29.745 29.700 -0.000 0.000 0.762 146 E HN 0.490 8.850 8.360 -0.000 0.000 0.460 147 L N -1.020 120.214 121.223 0.017 0.000 2.477 147 L HA 0.188 4.541 4.340 0.022 0.000 0.220 147 L C 1.568 178.452 176.870 0.024 0.000 1.106 147 L CA 0.584 55.442 54.840 0.030 0.000 0.851 147 L CB 0.162 42.252 42.059 0.052 0.000 0.994 147 L HN 0.265 8.495 8.230 -0.000 0.000 0.462 148 G N 0.027 108.837 108.800 0.016 0.000 2.213 148 G HA2 -0.258 3.715 3.960 0.022 0.000 0.226 148 G HA3 -0.258 3.715 3.960 0.022 0.000 0.226 148 G C 0.283 175.191 174.900 0.013 0.000 0.992 148 G CA 0.173 45.282 45.100 0.014 0.000 0.632 148 G HN 0.500 8.790 8.290 -0.000 0.000 0.511 149 S N -0.985 114.725 115.700 0.015 0.000 2.643 149 S HA 0.632 5.115 4.470 0.022 0.000 0.270 149 S C -0.718 173.889 174.600 0.012 0.000 1.166 149 S CA -0.295 57.913 58.200 0.014 0.000 0.815 149 S CB 1.488 64.698 63.200 0.016 0.000 1.139 149 S HN 0.416 8.726 8.310 -0.000 0.000 0.472 150 E N 0.360 120.566 120.200 0.009 0.000 2.413 150 E HA 0.382 4.745 4.350 0.022 0.000 0.263 150 E C -0.844 175.763 176.600 0.011 0.000 1.015 150 E CA -0.180 56.222 56.400 0.003 0.000 0.916 150 E CB 0.630 30.331 29.700 0.002 0.000 0.947 150 E HN 0.418 8.778 8.360 -0.000 0.000 0.440 151 V N 4.664 124.575 119.914 -0.005 0.000 2.448 151 V HA 0.234 4.367 4.120 0.022 0.000 0.295 151 V C -2.254 173.837 176.094 -0.005 0.000 1.025 151 V CA -2.256 60.050 62.300 0.011 0.000 0.859 151 V CB 1.439 33.231 31.823 -0.051 0.000 0.988 151 V HN 0.586 8.776 8.190 -0.000 0.000 0.431 152 P HA 0.170 4.590 4.420 -0.000 0.000 0.261 152 P C 0.994 178.295 177.300 0.002 0.000 1.203 152 P CA 0.155 63.269 63.100 0.024 0.000 0.767 152 P CB 0.548 32.281 31.700 0.055 0.000 0.785 153 L N 3.230 124.432 121.223 -0.035 0.000 2.079 153 L HA -0.177 4.176 4.340 0.022 0.000 0.210 153 L C 2.181 179.055 176.870 0.006 0.000 1.081 153 L CA 1.216 56.023 54.840 -0.055 0.000 0.752 153 L CB -0.529 41.479 42.059 -0.085 0.000 0.896 153 L HN 0.494 8.724 8.230 -0.000 0.000 0.433 154 L N 0.073 121.302 121.223 0.009 0.000 2.042 154 L HA -0.210 4.143 4.340 0.022 0.000 0.210 154 L C 2.783 179.740 176.870 0.145 0.000 1.076 154 L CA 2.551 57.426 54.840 0.057 0.000 0.749 154 L CB -0.773 41.291 42.059 0.008 0.000 0.893 154 L HN 0.465 8.695 8.230 -0.000 0.000 0.432 155 S N -0.881 114.902 115.700 0.138 0.000 2.368 155 S HA -0.139 4.344 4.470 0.022 0.000 0.225 155 S C 2.013 176.793 174.600 0.299 0.000 1.030 155 S CA 1.385 59.717 58.200 0.221 0.000 0.999 155 S CB -1.073 62.293 63.200 0.277 0.000 0.844 155 S HN 0.288 8.598 8.310 -0.000 0.000 0.459 156 V N 1.177 121.181 119.914 0.151 0.000 2.358 156 V HA -0.080 4.053 4.120 0.022 0.000 0.246 156 V C 2.147 178.271 176.094 0.050 0.000 1.047 156 V CA 1.985 64.252 62.300 -0.056 0.000 1.035 156 V CB -1.113 30.522 31.823 -0.313 0.000 0.658 156 V HN 0.516 8.706 8.190 -0.000 0.000 0.452 157 F N 1.374 121.294 119.950 -0.051 0.000 2.069 157 F HA -0.202 4.337 4.527 0.020 0.000 0.298 157 F C 2.631 178.431 175.800 -0.000 0.000 1.113 157 F CA 1.873 59.851 58.000 -0.038 0.000 1.214 157 F CB -0.303 38.674 39.000 -0.038 0.000 0.978 157 F HN -0.051 8.249 8.300 -0.000 0.000 0.474 158 R N -0.489 120.088 120.500 0.129 0.000 2.091 158 R HA -0.186 4.167 4.340 0.022 0.000 0.238 158 R C 2.623 178.900 176.300 -0.039 0.000 1.136 158 R CA 1.552 57.667 56.100 0.025 0.000 0.959 158 R CB -0.907 29.457 30.300 0.105 0.000 0.856 158 R HN 0.347 8.617 8.270 -0.000 0.000 0.437 159 S N 0.806 116.531 115.700 0.041 0.000 2.345 159 S HA -0.121 4.362 4.470 0.022 0.000 0.220 159 S C 1.903 176.490 174.600 -0.022 0.000 1.031 159 S CA 1.041 59.276 58.200 0.058 0.000 0.996 159 S CB -0.187 63.154 63.200 0.234 0.000 0.882 159 S HN 0.227 8.537 8.310 -0.000 0.000 0.445 160 L N 1.808 122.987 121.223 -0.074 0.000 2.017 160 L HA 0.016 4.369 4.340 0.022 0.000 0.208 160 L C 2.071 178.826 176.870 -0.191 0.000 1.073 160 L CA 1.731 56.496 54.840 -0.126 0.000 0.745 160 L CB -0.735 41.234 42.059 -0.150 0.000 0.894 160 L HN 0.330 8.560 8.230 -0.000 0.000 0.432 161 I N -0.641 119.721 120.570 -0.345 0.000 2.286 161 I HA -0.231 3.952 4.170 0.022 0.000 0.248 161 I C 2.330 178.339 176.117 -0.181 0.000 1.115 161 I CA 1.494 62.583 61.300 -0.352 0.000 1.392 161 I CB -1.843 35.789 38.000 -0.614 0.000 1.065 161 I HN 0.305 8.515 8.210 -0.000 0.000 0.418 162 T N 1.314 115.786 114.554 -0.137 0.000 2.777 162 T HA -0.106 4.257 4.350 0.022 0.000 0.266 162 T C 1.762 176.441 174.700 -0.036 0.000 1.040 162 T CA 1.207 63.269 62.100 -0.064 0.000 1.141 162 T CB -0.175 68.669 68.868 -0.039 0.000 0.868 162 T HN 0.278 8.518 8.240 -0.000 0.000 0.444 163 N N 1.284 119.962 118.700 -0.037 0.000 2.142 163 N HA 0.042 4.795 4.740 0.022 0.000 0.186 163 N C 1.905 177.411 175.510 -0.007 0.000 1.023 163 N CA 0.824 53.866 53.050 -0.013 0.000 0.852 163 N CB -0.458 38.023 38.487 -0.009 0.000 0.998 163 N HN 0.339 8.719 8.380 -0.000 0.000 0.424 164 L N 0.635 121.837 121.223 -0.035 0.000 2.083 164 L HA -0.172 4.181 4.340 0.022 0.000 0.209 164 L C 2.055 178.940 176.870 0.024 0.000 1.083 164 L CA 1.118 55.942 54.840 -0.026 0.000 0.752 164 L CB -0.383 41.626 42.059 -0.083 0.000 0.899 164 L HN 0.088 8.318 8.230 -0.000 0.000 0.433 165 D N 0.098 120.505 120.400 0.012 0.000 2.097 165 D HA -0.238 4.415 4.640 0.022 0.000 0.195 165 D C 2.320 178.683 176.300 0.105 0.000 0.989 165 D CA 1.217 55.257 54.000 0.066 0.000 0.827 165 D CB 0.094 40.911 40.800 0.029 0.000 0.966 165 D HN 0.049 8.419 8.370 -0.000 0.000 0.456 166 R N -0.277 120.262 120.500 0.064 0.000 2.081 166 R HA -0.060 4.293 4.340 0.022 0.000 0.235 166 R C 2.417 178.769 176.300 0.087 0.000 1.131 166 R CA 1.036 57.173 56.100 0.063 0.000 0.960 166 R CB -0.318 30.005 30.300 0.038 0.000 0.856 166 R HN 0.254 8.524 8.270 -0.000 0.000 0.436 167 L N -0.365 120.915 121.223 0.095 0.000 2.083 167 L HA -0.196 4.157 4.340 0.022 0.000 0.209 167 L C 2.361 179.352 176.870 0.202 0.000 1.083 167 L CA 1.155 56.068 54.840 0.121 0.000 0.752 167 L CB -0.554 41.559 42.059 0.089 0.000 0.899 167 L HN 0.274 8.504 8.230 -0.000 0.000 0.433 168 Y N 0.571 120.907 120.300 0.060 0.000 2.200 168 Y HA -0.200 4.363 4.550 0.022 0.000 0.290 168 Y C 2.293 178.290 175.900 0.161 0.000 1.137 168 Y CA 1.269 59.430 58.100 0.102 0.000 1.163 168 Y CB -0.214 38.270 38.460 0.039 0.000 0.988 168 Y HN -0.000 8.280 8.280 -0.000 0.000 0.518 169 L N -0.167 121.099 121.223 0.071 0.000 2.046 169 L HA -0.274 4.079 4.340 0.022 0.000 0.208 169 L C 1.916 178.768 176.870 -0.031 0.000 1.077 169 L CA 1.775 56.595 54.840 -0.032 0.000 0.747 169 L CB -0.626 41.447 42.059 0.024 0.000 0.896 169 L HN 0.195 8.425 8.230 -0.000 0.000 0.432 170 N N -0.417 118.305 118.700 0.037 0.000 2.331 170 N HA -0.170 4.583 4.740 0.022 0.000 0.180 170 N C 1.558 177.096 175.510 0.047 0.000 1.019 170 N CA 0.823 53.895 53.050 0.036 0.000 0.881 170 N CB -0.238 38.285 38.487 0.060 0.000 0.972 170 N HN 0.237 8.617 8.380 -0.000 0.000 0.435 171 F N 1.086 121.003 119.950 -0.056 0.000 2.134 171 F HA -0.028 4.513 4.527 0.023 0.000 0.299 171 F C 1.653 177.388 175.800 -0.108 0.000 1.097 171 F CA 1.079 59.052 58.000 -0.046 0.000 1.264 171 F CB -0.104 38.900 39.000 0.006 0.000 1.001 171 F HN -0.040 8.260 8.300 -0.000 0.000 0.479 172 L N 0.238 121.320 121.223 -0.236 0.000 2.131 172 L HA -0.214 4.139 4.340 0.022 0.000 0.210 172 L C 2.362 179.080 176.870 -0.253 0.000 1.092 172 L CA 1.410 56.057 54.840 -0.322 0.000 0.759 172 L CB -0.646 41.233 42.059 -0.300 0.000 0.903 172 L HN 0.136 8.366 8.230 -0.000 0.000 0.435 173 K N -0.534 119.759 120.400 -0.177 0.000 2.076 173 K HA -0.023 4.310 4.320 0.022 0.000 0.204 173 K C 0.484 177.004 176.600 -0.133 0.000 1.051 173 K CA 0.633 56.846 56.287 -0.123 0.000 0.949 173 K CB 0.095 32.551 32.500 -0.073 0.000 0.726 173 K HN 0.092 8.342 8.250 -0.000 0.000 0.443 174 N N -0.469 118.142 118.700 -0.148 0.000 2.747 174 N HA 0.143 4.896 4.740 0.022 0.000 0.262 174 N C -2.650 172.776 175.510 -0.141 0.000 1.261 174 N CA -1.552 51.420 53.050 -0.129 0.000 0.809 174 N CB 1.571 40.025 38.487 -0.056 0.000 1.450 174 N HN -0.275 8.105 8.380 -0.000 0.000 0.560 175 P HA -0.127 4.293 4.420 -0.000 0.000 0.217 175 P C 1.701 179.046 177.300 0.076 0.000 1.148 175 P CA 0.981 63.938 63.100 -0.238 0.000 0.828 175 P CB 0.243 31.724 31.700 -0.365 0.000 0.783 176 M N -0.657 118.968 119.600 0.041 0.000 2.267 176 M HA -0.148 4.345 4.480 0.022 0.000 0.263 176 M C 1.184 177.537 176.300 0.088 0.000 1.063 176 M CA 1.569 56.917 55.300 0.080 0.000 1.090 176 M CB -1.533 31.097 32.600 0.050 0.000 1.392 176 M HN -0.040 8.250 8.290 -0.000 0.000 0.422 177 D N 0.114 120.560 120.400 0.078 0.000 2.144 177 D HA -0.112 4.541 4.640 0.022 0.000 0.199 177 D C 1.925 178.293 176.300 0.112 0.000 0.984 177 D CA 1.093 55.141 54.000 0.079 0.000 0.834 177 D CB -0.111 40.728 40.800 0.066 0.000 0.955 177 D HN 0.276 8.646 8.370 -0.000 0.000 0.465 178 I N 0.922 121.601 120.570 0.182 0.000 2.353 178 I HA -0.146 4.037 4.170 0.022 0.000 0.248 178 I C 2.214 178.431 176.117 0.167 0.000 1.119 178 I CA 0.415 61.839 61.300 0.206 0.000 1.417 178 I CB -0.376 37.822 38.000 0.329 0.000 1.078 178 I HN 0.060 8.270 8.210 -0.000 0.000 0.421 179 L N 0.771 122.101 121.223 0.180 0.000 2.017 179 L HA -0.213 4.140 4.340 0.022 0.000 0.208 179 L C 2.022 178.904 176.870 0.020 0.000 1.073 179 L CA 2.004 56.907 54.840 0.106 0.000 0.745 179 L CB -1.047 41.100 42.059 0.147 0.000 0.894 179 L HN 0.316 8.546 8.230 -0.000 0.000 0.432 180 N N 0.114 118.841 118.700 0.044 0.000 2.244 180 N HA -0.148 4.605 4.740 0.022 0.000 0.183 180 N C 1.964 177.480 175.510 0.010 0.000 1.016 180 N CA 1.086 54.148 53.050 0.021 0.000 0.866 180 N CB -0.244 38.261 38.487 0.030 0.000 0.980 180 N HN 0.383 8.763 8.380 -0.000 0.000 0.430 181 L N -0.031 121.208 121.223 0.027 0.000 2.109 181 L HA -0.043 4.310 4.340 0.022 0.000 0.207 181 L C 2.307 179.176 176.870 -0.001 0.000 1.086 181 L CA 0.521 55.373 54.840 0.021 0.000 0.760 181 L CB -0.361 41.724 42.059 0.043 0.000 0.910 181 L HN -0.013 8.217 8.230 -0.000 0.000 0.437 182 V N 0.220 120.119 119.914 -0.025 0.000 2.427 182 V HA -0.278 3.855 4.120 0.022 0.000 0.248 182 V C 2.777 178.816 176.094 -0.093 0.000 1.051 182 V CA 1.811 64.062 62.300 -0.082 0.000 1.048 182 V CB -0.352 31.324 31.823 -0.245 0.000 0.666 182 V HN 0.453 8.643 8.190 -0.000 0.000 0.456 183 R N -0.221 120.225 120.500 -0.090 0.000 2.073 183 R HA -0.171 4.182 4.340 0.022 0.000 0.234 183 R C 1.961 178.244 176.300 -0.029 0.000 1.134 183 R CA 2.148 58.211 56.100 -0.062 0.000 0.952 183 R CB -0.473 29.799 30.300 -0.046 0.000 0.850 183 R HN 0.529 8.799 8.270 -0.000 0.000 0.433 184 D N 0.225 120.614 120.400 -0.019 0.000 2.263 184 D HA -0.118 4.535 4.640 0.022 0.000 0.208 184 D C 0.623 176.917 176.300 -0.011 0.000 0.971 184 D CA 0.957 54.951 54.000 -0.010 0.000 0.867 184 D CB -0.121 40.677 40.800 -0.004 0.000 0.929 184 D HN 0.340 8.710 8.370 -0.000 0.000 0.492 185 N N -0.241 118.451 118.700 -0.012 0.000 2.204 185 N HA 0.092 4.845 4.740 0.022 0.000 0.219 185 N C 0.094 175.601 175.510 -0.006 0.000 1.151 185 N CA -0.093 52.951 53.050 -0.011 0.000 0.867 185 N CB 1.247 39.730 38.487 -0.006 0.000 1.043 185 N HN 0.219 8.599 8.380 -0.000 0.000 0.516 186 M N 1.021 120.621 119.600 0.001 0.000 2.409 186 M HA 0.393 4.886 4.480 0.022 0.000 0.329 186 M C -0.495 175.827 176.300 0.037 0.000 1.180 186 M CA -0.546 54.774 55.300 0.034 0.000 1.053 186 M CB 1.638 34.262 32.600 0.039 0.000 1.586 186 M HN -0.149 8.141 8.290 -0.000 0.000 0.461 187 I N 5.346 125.965 120.570 0.081 0.000 2.363 187 I HA 0.135 4.318 4.170 0.022 0.000 0.292 187 I C -0.674 175.529 176.117 0.144 0.000 1.075 187 I CA -0.232 61.102 61.300 0.056 0.000 1.333 187 I CB 0.076 38.070 38.000 -0.009 0.000 1.415 187 I HN 0.438 8.648 8.210 -0.000 0.000 0.502 188 L N 4.276 125.549 121.223 0.082 0.000 2.341 188 L HA 0.549 4.902 4.340 0.022 0.000 0.254 188 L C 0.902 177.814 176.870 0.070 0.000 1.040 188 L CA -0.399 54.492 54.840 0.085 0.000 0.837 188 L CB 1.247 43.328 42.059 0.038 0.000 1.425 188 L HN 0.780 9.010 8.230 -0.000 0.000 0.414 189 G N 0.809 109.648 108.800 0.065 0.000 2.143 189 G HA2 -0.141 3.832 3.960 0.022 0.000 0.249 189 G HA3 -0.141 3.832 3.960 0.022 0.000 0.249 189 G C -0.121 174.821 174.900 0.070 0.000 0.981 189 G CA 0.409 45.540 45.100 0.053 0.000 0.665 189 G HN 0.899 9.189 8.290 -0.000 0.000 0.528 190 V N -2.784 117.198 119.914 0.114 0.000 3.074 190 V HA 0.948 5.081 4.120 0.022 0.000 0.314 190 V C 0.414 176.606 176.094 0.162 0.000 1.117 190 V CA -1.137 61.242 62.300 0.130 0.000 1.014 190 V CB 1.869 33.779 31.823 0.145 0.000 1.057 190 V HN 0.795 8.985 8.190 -0.000 0.000 0.438 191 R N 2.528 123.109 120.500 0.136 0.000 2.438 191 R HA 0.695 5.048 4.340 0.022 0.000 0.287 191 R C -0.308 176.084 176.300 0.154 0.000 1.077 191 R CA 0.125 56.294 56.100 0.116 0.000 1.034 191 R CB 0.430 30.774 30.300 0.074 0.000 0.993 191 R HN 1.600 9.870 8.270 -0.000 0.000 0.459 192 V N -1.470 118.489 119.914 0.076 0.000 3.160 192 V HA 0.699 4.832 4.120 0.022 0.000 0.310 192 V C -0.886 175.169 176.094 -0.066 0.000 1.181 192 V CA -1.246 61.043 62.300 -0.019 0.000 1.047 192 V CB 2.270 34.022 31.823 -0.119 0.000 1.068 192 V HN 0.874 9.064 8.190 -0.000 0.000 0.441 193 K N 1.425 121.746 120.400 -0.131 0.000 2.345 193 K HA 0.786 5.119 4.320 0.022 0.000 0.255 193 K C -1.768 174.673 176.600 -0.265 0.000 0.934 193 K CA -0.694 55.490 56.287 -0.172 0.000 0.801 193 K CB 1.718 34.149 32.500 -0.114 0.000 1.137 193 K HN 0.712 8.962 8.250 -0.000 0.000 0.424 194 I N 5.084 125.361 120.570 -0.487 0.000 2.441 194 I HA 0.394 4.577 4.170 0.022 0.000 0.295 194 I C -1.196 174.640 176.117 -0.468 0.000 0.994 194 I CA -0.800 60.174 61.300 -0.543 0.000 1.144 194 I CB 1.561 38.989 38.000 -0.953 0.000 1.314 194 I HN 0.473 8.683 8.210 -0.000 0.000 0.445 195 L N 3.443 124.533 121.223 -0.223 0.000 2.455 195 L HA 1.106 5.460 4.340 0.022 0.000 0.264 195 L C -0.090 176.761 176.870 -0.033 0.000 0.968 195 L CA -0.161 54.609 54.840 -0.116 0.000 0.827 195 L CB 1.501 43.513 42.059 -0.078 0.000 1.317 195 L HN 0.734 8.964 8.230 -0.000 0.000 0.407 196 G N 1.496 110.302 108.800 0.010 0.000 2.307 196 G HA2 -0.007 3.966 3.960 0.022 0.000 0.077 196 G HA3 -0.007 3.966 3.960 0.022 0.000 0.077 196 G C -0.114 174.824 174.900 0.062 0.000 0.867 196 G CA 0.347 45.472 45.100 0.042 0.000 1.246 196 G HN 0.594 8.884 8.290 -0.000 0.000 0.489 197 D N 0.706 121.161 120.400 0.091 0.000 2.228 197 D HA 0.312 4.966 4.640 0.022 0.000 0.203 197 D C 1.321 177.680 176.300 0.098 0.000 0.988 197 D CA 1.901 55.955 54.000 0.091 0.000 0.864 197 D CB 0.104 40.969 40.800 0.108 0.000 0.928 197 D HN 0.708 9.078 8.370 -0.000 0.000 0.469 198 G N -1.444 107.432 108.800 0.127 0.000 2.677 198 G HA2 0.489 4.462 3.960 0.022 0.000 0.283 198 G HA3 0.489 4.462 3.960 0.022 0.000 0.283 198 G C -1.524 173.444 174.900 0.114 0.000 1.221 198 G CA -0.431 44.750 45.100 0.134 0.000 0.851 198 G HN 0.007 8.297 8.290 -0.000 0.000 0.504 199 S N -0.538 115.253 115.700 0.151 0.000 2.668 199 S HA 0.764 5.247 4.470 0.022 0.000 0.277 199 S C -1.406 173.296 174.600 0.169 0.000 1.170 199 S CA -0.709 57.523 58.200 0.052 0.000 0.994 199 S CB 0.309 63.524 63.200 0.024 0.000 1.051 199 S HN 1.454 9.764 8.310 -0.000 0.000 0.484 200 F N 1.261 121.219 119.950 0.013 0.000 2.693 200 F HA 0.783 5.324 4.527 0.024 0.000 0.309 200 F C -0.879 174.924 175.800 0.007 0.000 1.129 200 F CA -0.994 57.011 58.000 0.009 0.000 0.948 200 F CB 0.813 39.819 39.000 0.008 0.000 1.315 200 F HN 0.403 8.703 8.300 -0.000 0.000 0.447 201 E N 0.328 120.663 120.200 0.225 0.000 2.281 201 E HA 0.822 5.186 4.350 0.022 0.000 0.262 201 E C -0.369 176.351 176.600 0.201 0.000 0.933 201 E CA -1.216 55.255 56.400 0.118 0.000 0.809 201 E CB 2.402 32.142 29.700 0.066 0.000 1.242 201 E HN 1.116 9.476 8.360 -0.000 0.000 0.418 202 G N 0.460 109.338 108.800 0.129 0.000 2.321 202 G HA2 0.257 4.230 3.960 0.022 0.000 0.296 202 G HA3 0.257 4.230 3.960 0.022 0.000 0.296 202 G C -1.717 173.234 174.900 0.085 0.000 1.287 202 G CA -0.865 44.308 45.100 0.121 0.000 0.846 202 G HN 0.270 8.560 8.290 -0.000 0.000 0.508 203 I N 1.556 122.169 120.570 0.071 0.000 2.336 203 I HA 0.553 4.736 4.170 0.022 0.000 0.292 203 I C 0.924 177.070 176.117 0.049 0.000 0.991 203 I CA -0.847 60.489 61.300 0.062 0.000 1.227 203 I CB 0.820 38.848 38.000 0.047 0.000 1.366 203 I HN 0.738 8.948 8.210 -0.000 0.000 0.466 204 A N 5.507 128.359 122.820 0.054 0.000 2.347 204 A HA 0.355 4.688 4.320 0.022 0.000 0.287 204 A C 0.915 178.506 177.584 0.012 0.000 1.199 204 A CA -0.286 51.759 52.037 0.012 0.000 0.851 204 A CB 0.036 19.054 19.000 0.030 0.000 1.118 204 A HN 0.827 8.977 8.150 -0.000 0.000 0.525 205 E N 1.863 122.052 120.200 -0.018 0.000 2.330 205 E HA 0.250 4.613 4.350 0.022 0.000 0.200 205 E C 0.191 176.775 176.600 -0.026 0.000 0.922 205 E CA 0.663 57.056 56.400 -0.011 0.000 0.935 205 E CB 0.449 30.144 29.700 -0.008 0.000 0.917 205 E HN 0.480 8.840 8.360 -0.000 0.000 0.491 206 D N -0.853 119.513 120.400 -0.058 0.000 2.792 206 D HA 0.320 4.973 4.640 0.022 0.000 0.335 206 D C -1.678 174.557 176.300 -0.108 0.000 1.353 206 D CA -0.614 53.349 54.000 -0.061 0.000 0.839 206 D CB 1.375 42.155 40.800 -0.033 0.000 1.396 206 D HN 0.118 8.488 8.370 -0.000 0.000 0.479 207 I N -0.523 119.998 120.570 -0.081 0.000 2.647 207 I HA 0.593 4.776 4.170 0.022 0.000 0.295 207 I C -0.410 175.709 176.117 0.004 0.000 1.078 207 I CA -0.840 60.414 61.300 -0.076 0.000 1.048 207 I CB 1.683 39.626 38.000 -0.095 0.000 1.239 207 I HN 0.177 8.387 8.210 -0.000 0.000 0.421 208 D N 2.361 122.799 120.400 0.064 0.000 2.451 208 D HA 0.183 4.836 4.640 0.022 0.000 0.259 208 D C 0.623 177.017 176.300 0.156 0.000 1.201 208 D CA -0.101 53.960 54.000 0.102 0.000 1.028 208 D CB 0.433 41.303 40.800 0.118 0.000 1.095 208 D HN 0.783 9.153 8.370 -0.000 0.000 0.539 209 D N -1.442 119.056 120.400 0.164 0.000 2.309 209 D HA -0.193 4.460 4.640 0.022 0.000 0.212 209 D C 1.245 177.724 176.300 0.299 0.000 0.968 209 D CA 0.577 54.692 54.000 0.193 0.000 0.882 209 D CB -0.440 40.452 40.800 0.154 0.000 0.918 209 D HN 0.285 8.655 8.370 -0.000 0.000 0.503 210 F N 0.404 120.455 119.950 0.168 0.000 2.754 210 F HA 0.319 4.860 4.527 0.023 0.000 0.297 210 F C 1.810 177.809 175.800 0.333 0.000 1.122 210 F CA 0.693 58.814 58.000 0.201 0.000 1.400 210 F CB 0.641 39.724 39.000 0.139 0.000 1.117 210 F HN 0.158 8.458 8.300 -0.000 0.000 0.587 211 G N 1.404 110.434 108.800 0.382 0.000 2.148 211 G HA2 -0.236 3.737 3.960 0.022 0.000 0.203 211 G HA3 -0.236 3.737 3.960 0.022 0.000 0.203 211 G C 0.333 175.641 174.900 0.680 0.000 0.993 211 G CA -0.317 45.142 45.100 0.598 0.000 0.661 211 G HN 0.353 8.643 8.290 -0.000 0.000 0.518 212 R N -0.426 120.347 120.500 0.455 0.000 2.490 212 R HA 0.536 4.889 4.340 0.022 0.000 0.280 212 R C 0.069 176.389 176.300 0.034 0.000 1.077 212 R CA -0.640 55.679 56.100 0.365 0.000 1.065 212 R CB 1.071 31.547 30.300 0.293 0.000 1.003 212 R HN 0.181 8.451 8.270 -0.000 0.000 0.470 213 L N 4.194 125.193 121.223 -0.373 0.000 2.305 213 L HA 0.316 4.669 4.340 0.022 0.000 0.281 213 L C -0.539 176.141 176.870 -0.317 0.000 1.085 213 L CA 0.141 54.539 54.840 -0.737 0.000 0.813 213 L CB 0.874 41.956 42.059 -1.627 0.000 1.157 213 L HN 0.488 8.718 8.230 -0.000 0.000 0.436 214 I N 6.351 126.794 120.570 -0.211 0.000 2.312 214 I HA 0.306 4.490 4.170 0.022 0.000 0.290 214 I C -0.742 175.329 176.117 -0.076 0.000 1.008 214 I CA -0.374 60.867 61.300 -0.097 0.000 1.226 214 I CB 0.965 38.929 38.000 -0.059 0.000 1.371 214 I HN 0.444 8.654 8.210 -0.000 0.000 0.468 215 I N 6.364 126.919 120.570 -0.026 0.000 2.509 215 I HA 0.389 4.572 4.170 0.022 0.000 0.293 215 I C 0.123 176.256 176.117 0.026 0.000 1.020 215 I CA -0.529 60.787 61.300 0.026 0.000 1.088 215 I CB 1.701 39.783 38.000 0.137 0.000 1.267 215 I HN 0.468 8.678 8.210 -0.000 0.000 0.430 216 R N 5.763 126.280 120.500 0.029 0.000 2.204 216 R HA 0.517 4.870 4.340 0.022 0.000 0.341 216 R C -1.196 175.126 176.300 0.036 0.000 1.035 216 R CA -0.727 55.382 56.100 0.016 0.000 0.887 216 R CB 0.467 30.775 30.300 0.013 0.000 1.114 216 R HN 0.483 8.753 8.270 -0.000 0.000 0.473 217 L N 3.379 124.611 121.223 0.015 0.000 2.464 217 L HA 0.036 4.389 4.340 0.022 0.000 0.264 217 L C 1.444 178.331 176.870 0.028 0.000 1.199 217 L CA 0.432 55.294 54.840 0.037 0.000 0.818 217 L CB 0.717 42.753 42.059 -0.038 0.000 1.102 217 L HN 0.607 8.837 8.230 -0.000 0.000 0.473 218 D N -0.273 120.154 120.400 0.045 0.000 2.221 218 D HA -0.152 4.501 4.640 0.022 0.000 0.204 218 D C 1.960 178.269 176.300 0.015 0.000 0.982 218 D CA 1.528 55.547 54.000 0.031 0.000 0.857 218 D CB 0.109 40.932 40.800 0.038 0.000 0.934 218 D HN 0.716 9.086 8.370 -0.000 0.000 0.475 219 S N -0.881 114.823 115.700 0.006 0.000 2.447 219 S HA 0.076 4.559 4.470 0.022 0.000 0.233 219 S C 1.836 176.429 174.600 -0.012 0.000 1.006 219 S CA 1.279 59.475 58.200 -0.006 0.000 0.957 219 S CB 0.278 63.466 63.200 -0.020 0.000 0.773 219 S HN 0.339 8.649 8.310 -0.000 0.000 0.507 220 G N 0.677 109.469 108.800 -0.014 0.000 2.231 220 G HA2 -0.230 3.743 3.960 0.022 0.000 0.206 220 G HA3 -0.230 3.743 3.960 0.022 0.000 0.206 220 G C -0.129 174.755 174.900 -0.028 0.000 0.996 220 G CA 0.078 45.169 45.100 -0.015 0.000 0.645 220 G HN 0.749 9.039 8.290 -0.000 0.000 0.498 221 E N 0.497 120.669 120.200 -0.045 0.000 2.390 221 E HA 0.482 4.845 4.350 0.022 0.000 0.261 221 E C -0.402 176.155 176.600 -0.072 0.000 1.076 221 E CA -0.294 56.066 56.400 -0.067 0.000 0.905 221 E CB 1.035 30.675 29.700 -0.100 0.000 0.984 221 E HN 0.166 8.526 8.360 -0.000 0.000 0.427 222 V N 4.800 124.672 119.914 -0.070 0.000 2.444 222 V HA 0.361 4.494 4.120 0.022 0.000 0.294 222 V C -0.351 175.695 176.094 -0.079 0.000 1.022 222 V CA -0.775 61.489 62.300 -0.060 0.000 0.850 222 V CB 1.574 33.376 31.823 -0.035 0.000 0.992 222 V HN 0.596 8.786 8.190 -0.000 0.000 0.426 223 K N 3.667 124.013 120.400 -0.090 0.000 2.318 223 K HA 0.622 4.955 4.320 0.022 0.000 0.249 223 K C -0.879 175.709 176.600 -0.020 0.000 0.942 223 K CA -0.827 55.407 56.287 -0.089 0.000 0.808 223 K CB 2.914 35.285 32.500 -0.215 0.000 1.189 223 K HN 0.501 8.751 8.250 -0.000 0.000 0.428 224 K N 1.254 121.656 120.400 0.005 0.000 2.182 224 K HA 0.535 4.868 4.320 0.022 0.000 0.262 224 K C -0.673 175.978 176.600 0.086 0.000 0.957 224 K CA -0.816 55.490 56.287 0.032 0.000 0.842 224 K CB 1.802 34.329 32.500 0.045 0.000 1.099 224 K HN 0.192 8.442 8.250 -0.000 0.000 0.438 225 V N 4.263 124.238 119.914 0.102 0.000 2.656 225 V HA 0.414 4.547 4.120 0.022 0.000 0.307 225 V C -0.234 176.075 176.094 0.358 0.000 1.051 225 V CA -0.947 61.480 62.300 0.212 0.000 0.893 225 V CB 1.917 33.889 31.823 0.248 0.000 0.999 225 V HN 0.649 8.839 8.190 -0.000 0.000 0.426 226 I N 4.335 125.116 120.570 0.352 0.000 2.396 226 I HA 0.341 4.524 4.170 0.022 0.000 0.292 226 I C 0.180 176.508 176.117 0.352 0.000 0.999 226 I CA -0.476 61.025 61.300 0.336 0.000 1.310 226 I CB 0.863 38.968 38.000 0.176 0.000 1.404 226 I HN 0.775 8.985 8.210 -0.000 0.000 0.496 227 Y N 3.822 124.277 120.300 0.259 0.000 2.240 227 Y HA 0.553 5.118 4.550 0.024 0.000 0.341 227 Y C 1.437 177.261 175.900 -0.128 0.000 1.326 227 Y CA -0.145 57.854 58.100 -0.169 0.000 1.569 227 Y CB 0.082 38.069 38.460 -0.788 0.000 1.426 227 Y HN 0.790 9.070 8.280 -0.000 0.000 0.587 228 G N 0.026 108.969 108.800 0.238 0.000 2.674 228 G HA2 -0.439 3.534 3.960 0.022 0.000 0.236 228 G HA3 -0.439 3.534 3.960 0.022 0.000 0.236 228 G C 0.961 175.894 174.900 0.055 0.000 1.178 228 G CA 0.719 45.900 45.100 0.135 0.000 0.721 228 G HN 0.966 9.256 8.290 -0.000 0.000 0.515 229 D N 1.135 121.570 120.400 0.058 0.000 2.324 229 D HA 0.232 4.885 4.640 0.022 0.000 0.235 229 D C 0.901 177.269 176.300 0.114 0.000 1.095 229 D CA 1.248 55.292 54.000 0.074 0.000 0.871 229 D CB -0.191 40.656 40.800 0.078 0.000 0.906 229 D HN 0.930 9.300 8.370 -0.000 0.000 0.522 230 V N -3.319 116.656 119.914 0.102 0.000 3.232 230 V HA 0.624 4.757 4.120 0.022 0.000 0.303 230 V C -0.823 175.294 176.094 0.038 0.000 1.311 230 V CA -1.075 61.292 62.300 0.112 0.000 1.061 230 V CB 1.638 33.630 31.823 0.282 0.000 1.085 230 V HN -0.038 8.152 8.190 -0.000 0.000 0.447 231 S N 1.037 116.753 115.700 0.026 0.000 2.619 231 S HA 0.727 5.210 4.470 0.022 0.000 0.280 231 S C -1.260 173.327 174.600 -0.022 0.000 1.150 231 S CA -0.554 57.639 58.200 -0.012 0.000 0.978 231 S CB 1.396 64.580 63.200 -0.027 0.000 1.041 231 S HN 1.409 9.719 8.310 -0.000 0.000 0.485 232 L N 5.117 126.320 121.223 -0.032 0.000 2.325 232 L HA 0.775 5.129 4.340 0.022 0.000 0.278 232 L C -0.679 176.070 176.870 -0.202 0.000 1.023 232 L CA -0.639 54.139 54.840 -0.104 0.000 0.811 232 L CB 1.154 43.192 42.059 -0.035 0.000 1.249 232 L HN 0.708 8.938 8.230 -0.000 0.000 0.431 233 R N 3.813 124.166 120.500 -0.245 0.000 2.686 233 R HA 0.436 4.790 4.340 0.022 0.000 0.283 233 R C -1.661 174.485 176.300 -0.256 0.000 0.978 233 R CA -0.670 55.310 56.100 -0.199 0.000 0.897 233 R CB 2.074 32.326 30.300 -0.080 0.000 1.192 233 R HN 0.466 8.736 8.270 -0.000 0.000 0.457 234 F N 2.938 122.912 119.950 0.040 0.000 2.411 234 F HA 0.360 4.899 4.527 0.021 0.000 0.350 234 F C 0.797 176.574 175.800 -0.039 0.000 1.114 234 F CA -0.291 57.718 58.000 0.016 0.000 1.135 234 F CB 0.684 39.710 39.000 0.044 0.000 1.120 234 F HN 0.141 8.441 8.300 -0.000 0.000 0.495 235 L N 0.000 121.305 121.223 0.136 0.000 2.949 235 L HA 0.000 4.353 4.340 0.022 0.000 0.249 235 L CA 0.000 54.870 54.840 0.049 0.000 0.813 235 L CB 0.000 42.078 42.059 0.032 0.000 0.961 235 L HN 0.000 8.230 8.230 -0.000 0.000 0.502