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 1ydu_1_A DATA FIRST_RESID 1 DATA SEQUENCE SDQIFNKVGS YWLGQKANKQ FDSVGNDLNS VSTSIEGGTK WLVNKIKGKM DATA SEQUENCE QKPLPELLKE YDLPIGIFPG DATNYEFDEE TKKLTVLIPS ICEVGYKDSS DATA SEQUENCE VLKFTTTVTG HLEKGKLTDV EGIKTKVMIW VKVTSISTDA SKVYFTAGMK DATA SEQUENCE KSRSRDAYGV QRNGLRVDKF 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 S HA 0.000 4.476 4.470 0.011 0.000 0.327 1 S C 0.000 174.605 174.600 0.008 0.000 1.055 1 S CA 0.000 58.205 58.200 0.008 0.000 1.107 1 S CB 0.000 63.203 63.200 0.006 0.000 0.593 2 D N 0.048 120.457 120.400 0.015 0.000 2.934 2 D HA 0.230 4.874 4.640 0.007 0.000 0.230 2 D C -1.177 175.146 176.300 0.039 0.000 1.204 2 D CA 0.505 54.515 54.000 0.017 0.000 0.873 2 D CB 1.079 41.888 40.800 0.016 0.000 1.645 2 D HN 0.086 8.467 8.370 0.019 0.000 0.502 3 Q N -0.369 119.457 119.800 0.043 0.000 2.013 3 Q HA 0.028 4.454 4.340 0.143 0.000 0.233 3 Q C -1.226 174.829 176.000 0.092 0.000 0.834 3 Q CA -0.322 55.547 55.803 0.110 0.000 1.040 3 Q CB 1.052 29.859 28.738 0.115 0.000 1.248 3 Q HN 0.360 8.637 8.270 0.012 0.000 0.425 4 I N 1.626 122.206 120.570 0.018 0.000 2.533 4 I HA -0.104 3.915 4.170 -0.251 0.000 0.284 4 I C -1.241 174.903 176.117 0.044 0.000 1.109 4 I CA 0.428 61.680 61.300 -0.080 0.000 1.412 4 I CB 0.232 38.200 38.000 -0.054 0.000 1.396 4 I HN -0.677 7.551 8.210 0.029 0.000 0.543 5 F N 7.235 127.184 119.950 -0.001 0.000 2.730 5 F HA 0.295 4.820 4.527 -0.003 0.000 0.335 5 F C -1.909 173.890 175.800 -0.002 0.000 1.212 5 F CA -1.004 56.995 58.000 -0.002 0.000 1.016 5 F CB 0.754 39.753 39.000 -0.002 0.000 1.290 5 F HN -0.156 7.787 8.300 -0.596 0.000 0.495 6 N N 4.656 123.424 118.700 0.113 0.000 2.623 6 N HA 0.048 4.828 4.740 0.067 0.000 0.256 6 N C -0.845 174.712 175.510 0.077 0.000 1.045 6 N CA 0.013 53.100 53.050 0.063 0.000 0.863 6 N CB 0.759 39.248 38.487 0.004 0.000 1.182 6 N HN 0.240 8.688 8.380 0.115 0.000 0.523 7 K N 3.694 124.152 120.400 0.097 0.000 2.234 7 K HA 0.093 4.440 4.320 0.046 0.000 0.277 7 K C -0.884 175.736 176.600 0.033 0.000 1.038 7 K CA -0.491 55.832 56.287 0.060 0.000 0.888 7 K CB 0.783 33.321 32.500 0.063 0.000 1.091 7 K HN 0.227 8.557 8.250 0.133 0.000 0.467 8 V N 4.128 124.048 119.914 0.011 0.000 2.417 8 V HA 0.129 4.254 4.120 0.008 0.000 0.291 8 V C -0.001 176.070 176.094 -0.039 0.000 1.024 8 V CA -0.457 61.842 62.300 -0.002 0.000 0.861 8 V CB 1.287 33.112 31.823 0.003 0.000 0.985 8 V HN 0.293 8.488 8.190 0.008 0.000 0.436 9 G N 5.125 113.884 108.800 -0.067 0.000 2.448 9 G HA2 0.171 4.023 3.960 -0.179 0.000 0.285 9 G HA3 0.171 3.979 3.960 -0.253 0.000 0.285 9 G C -1.559 173.214 174.900 -0.212 0.000 1.176 9 G CA -0.545 44.444 45.100 -0.186 0.000 0.852 9 G HN 0.031 8.302 8.290 -0.032 0.000 0.530 10 S N -0.349 115.169 115.700 -0.304 0.000 2.672 10 S HA 0.230 4.656 4.470 -0.074 0.000 0.291 10 S C -0.986 173.469 174.600 -0.241 0.000 1.145 10 S CA -0.257 57.840 58.200 -0.171 0.000 1.013 10 S CB 1.129 64.296 63.200 -0.055 0.000 1.017 10 S HN -0.092 8.005 8.310 -0.355 0.000 0.487 11 Y N 4.865 125.231 120.300 0.110 0.000 2.496 11 Y HA 0.168 4.794 4.550 0.128 0.000 0.331 11 Y C -1.265 174.775 175.900 0.233 0.000 1.140 11 Y CA -0.991 57.186 58.100 0.129 0.000 1.166 11 Y CB 1.388 39.890 38.460 0.069 0.000 1.249 11 Y HN 0.217 8.608 8.280 0.184 0.000 0.479 12 W N 4.668 126.076 121.300 0.180 0.000 2.957 12 W HA 0.259 4.972 4.660 0.089 0.000 0.336 12 W C -2.062 174.504 176.519 0.079 0.000 1.087 12 W CA -0.260 57.143 57.345 0.098 0.000 1.235 12 W CB 1.794 31.289 29.460 0.058 0.000 1.399 12 W HN 0.202 8.642 8.180 0.434 0.000 0.480 13 L N 3.731 124.420 121.223 -0.890 0.000 2.434 13 L HA 0.541 4.511 4.340 -0.615 0.000 0.260 13 L C -1.705 174.513 176.870 -1.087 0.000 0.983 13 L CA -1.692 52.687 54.840 -0.768 0.000 0.820 13 L CB 2.196 44.052 42.059 -0.339 0.000 1.361 13 L HN 0.112 7.696 8.230 -1.076 0.000 0.410 14 G N 0.372 108.783 108.800 -0.648 0.000 2.782 14 G HA2 0.210 3.844 3.960 -0.543 0.000 0.289 14 G HA3 0.210 4.003 3.960 -0.278 0.000 0.289 14 G C -0.866 173.914 174.900 -0.200 0.000 1.463 14 G CA 0.121 44.961 45.100 -0.432 0.000 1.019 14 G HN 0.100 8.137 8.290 -0.422 0.000 0.536 15 Q N 4.262 123.958 119.800 -0.174 0.000 2.300 15 Q HA -0.142 4.141 4.340 -0.094 0.000 0.262 15 Q C -0.031 175.936 176.000 -0.053 0.000 1.109 15 Q CA -0.231 55.513 55.803 -0.100 0.000 0.905 15 Q CB 0.056 28.741 28.738 -0.088 0.000 1.280 15 Q HN 0.270 8.410 8.270 -0.217 0.000 0.426 16 K N 4.846 125.225 120.400 -0.034 0.000 2.367 16 K HA 0.323 4.640 4.320 -0.004 0.000 0.263 16 K C -1.178 175.418 176.600 -0.007 0.000 1.000 16 K CA -0.163 56.118 56.287 -0.009 0.000 0.891 16 K CB 0.706 33.210 32.500 0.006 0.000 1.117 16 K HN 0.465 8.691 8.250 -0.040 0.000 0.443 17 A N 4.641 127.459 122.820 -0.003 0.000 2.589 17 A HA 0.167 4.488 4.320 0.002 0.000 0.296 17 A C -2.133 175.455 177.584 0.007 0.000 1.062 17 A CA -0.472 51.566 52.037 0.000 0.000 0.686 17 A CB 1.358 20.354 19.000 -0.006 0.000 1.282 17 A HN 0.280 8.430 8.150 -0.000 0.000 0.404 18 N N 0.279 118.986 118.700 0.012 0.000 2.425 18 N HA 0.083 4.834 4.740 0.018 0.000 0.289 18 N C -0.931 174.594 175.510 0.025 0.000 1.074 18 N CA 0.014 53.075 53.050 0.018 0.000 0.905 18 N CB 0.771 39.270 38.487 0.020 0.000 1.586 18 N HN 0.126 8.513 8.380 0.011 0.000 0.490 19 K N 1.825 122.244 120.400 0.032 0.000 2.656 19 K HA 0.135 4.486 4.320 0.052 0.000 0.241 19 K C -0.714 175.925 176.600 0.066 0.000 0.967 19 K CA 0.268 56.584 56.287 0.047 0.000 0.946 19 K CB 0.867 33.389 32.500 0.038 0.000 1.164 19 K HN 0.333 8.600 8.250 0.029 0.000 0.459 20 Q N 2.265 122.113 119.800 0.079 0.000 2.464 20 Q HA 0.148 4.538 4.340 0.084 0.000 0.256 20 Q C -1.051 175.020 176.000 0.118 0.000 1.020 20 Q CA -0.585 55.266 55.803 0.079 0.000 0.716 20 Q CB 0.226 28.986 28.738 0.037 0.000 1.230 20 Q HN 0.162 8.478 8.270 0.077 0.000 0.494 21 F N 5.376 125.326 119.950 0.001 0.000 2.410 21 F HA 0.247 4.775 4.527 0.001 0.000 0.349 21 F C -1.059 174.741 175.800 0.001 0.000 1.117 21 F CA -0.436 57.564 58.000 0.000 0.000 1.104 21 F CB 0.747 39.747 39.000 -0.000 0.000 1.122 21 F HN 0.190 8.636 8.300 0.244 0.000 0.483 22 D N 6.145 126.119 120.400 -0.710 0.000 2.493 22 D HA 0.123 4.547 4.640 -0.359 0.000 0.239 22 D C -1.663 174.133 176.300 -0.840 0.000 1.049 22 D CA -1.077 52.592 54.000 -0.552 0.000 1.008 22 D CB 2.422 43.063 40.800 -0.265 0.000 1.398 22 D HN 0.260 8.164 8.370 -0.777 0.000 0.513 23 S N -1.308 114.129 115.700 -0.438 0.000 2.500 23 S HA 0.298 4.519 4.470 -0.415 0.000 0.301 23 S C -0.340 174.165 174.600 -0.158 0.000 1.092 23 S CA -0.773 57.245 58.200 -0.303 0.000 1.030 23 S CB 1.474 64.605 63.200 -0.115 0.000 1.031 23 S HN 0.063 8.210 8.310 -0.272 0.000 0.483 24 V N 5.324 125.168 119.914 -0.116 0.000 2.432 24 V HA 0.108 4.184 4.120 -0.073 0.000 0.275 24 V C 0.431 176.503 176.094 -0.037 0.000 1.043 24 V CA 0.040 62.299 62.300 -0.069 0.000 0.925 24 V CB 0.676 32.465 31.823 -0.057 0.000 0.985 24 V HN 0.271 8.390 8.190 -0.117 0.000 0.466 25 G N 6.398 115.180 108.800 -0.030 0.000 2.511 25 G HA2 0.140 4.094 3.960 -0.010 0.000 0.316 25 G HA3 0.140 4.091 3.960 -0.015 0.000 0.316 25 G C -1.976 172.917 174.900 -0.011 0.000 1.210 25 G CA -0.360 44.731 45.100 -0.016 0.000 0.969 25 G HN 0.341 8.610 8.290 -0.035 0.000 0.492 26 N N -1.298 117.399 118.700 -0.005 0.000 2.484 26 N HA 0.307 5.044 4.740 -0.005 0.000 0.269 26 N C -2.275 173.234 175.510 -0.002 0.000 1.237 26 N CA -0.903 52.145 53.050 -0.004 0.000 0.838 26 N CB 2.788 41.274 38.487 -0.001 0.000 1.593 26 N HN 0.498 8.876 8.380 -0.003 0.000 0.485 27 D N -0.319 120.080 120.400 -0.002 0.000 2.490 27 D HA 0.262 4.902 4.640 0.000 0.000 0.232 27 D C -1.125 175.175 176.300 0.000 0.000 1.053 27 D CA -0.470 53.530 54.000 -0.001 0.000 0.914 27 D CB 1.839 42.638 40.800 -0.001 0.000 1.431 27 D HN 0.094 8.463 8.370 -0.002 0.000 0.483 28 L N -0.043 121.181 121.223 0.001 0.000 2.360 28 L HA 0.174 4.514 4.340 0.001 0.000 0.271 28 L C -0.493 176.378 176.870 0.001 0.000 1.057 28 L CA -0.370 54.471 54.840 0.001 0.000 0.803 28 L CB 0.747 42.807 42.059 0.002 0.000 1.207 28 L HN 0.033 8.263 8.230 0.001 0.000 0.445 29 N N 0.856 119.556 118.700 0.001 0.000 2.336 29 N HA 0.090 4.831 4.740 0.000 0.000 0.290 29 N C -1.455 174.055 175.510 0.001 0.000 1.058 29 N CA -0.199 52.851 53.050 0.001 0.000 0.865 29 N CB 0.917 39.404 38.487 0.000 0.000 1.581 29 N HN 0.139 8.520 8.380 0.001 0.000 0.480 30 S N 1.990 117.690 115.700 0.001 0.000 2.599 30 S HA 0.082 4.552 4.470 0.001 0.000 0.269 30 S C -1.726 172.874 174.600 0.001 0.000 1.135 30 S CA -0.006 58.195 58.200 0.001 0.000 1.027 30 S CB 0.325 63.526 63.200 0.001 0.000 1.129 30 S HN -0.102 8.208 8.310 0.001 0.000 0.458 31 V N 2.745 122.659 119.914 0.000 0.000 2.588 31 V HA 0.514 4.634 4.120 -0.000 0.000 0.304 31 V C -1.112 174.982 176.094 -0.000 0.000 1.042 31 V CA -0.210 62.090 62.300 -0.000 0.000 0.877 31 V CB 1.558 33.380 31.823 -0.001 0.000 0.996 31 V HN 0.137 8.327 8.190 0.000 0.000 0.425 32 S N 5.306 121.006 115.700 -0.000 0.000 2.547 32 S HA 0.433 4.903 4.470 -0.001 0.000 0.270 32 S C -1.395 173.204 174.600 -0.001 0.000 1.150 32 S CA -0.226 57.974 58.200 -0.001 0.000 0.850 32 S CB 1.214 64.414 63.200 0.000 0.000 1.118 32 S HN 0.227 8.537 8.310 -0.000 0.000 0.461 33 T N 1.000 115.552 114.554 -0.002 0.000 2.693 33 T HA 0.461 4.809 4.350 -0.002 0.000 0.304 33 T C -2.225 172.472 174.700 -0.004 0.000 1.471 33 T CA -0.208 61.890 62.100 -0.003 0.000 0.993 33 T CB 1.130 69.996 68.868 -0.003 0.000 1.554 33 T HN 0.441 8.680 8.240 -0.002 0.000 0.496 34 S N 1.283 116.980 115.700 -0.006 0.000 2.567 34 S HA 0.528 4.993 4.470 -0.008 0.000 0.270 34 S C -1.759 172.836 174.600 -0.009 0.000 1.152 34 S CA -0.707 57.488 58.200 -0.008 0.000 0.835 34 S CB 1.479 64.674 63.200 -0.008 0.000 1.115 34 S HN 0.433 8.740 8.310 -0.005 0.000 0.459 35 I N -0.404 120.159 120.570 -0.012 0.000 3.457 35 I HA 0.432 4.596 4.170 -0.011 0.000 0.307 35 I C -2.199 173.909 176.117 -0.015 0.000 1.138 35 I CA -0.924 60.368 61.300 -0.013 0.000 0.974 35 I CB 1.381 39.373 38.000 -0.014 0.000 1.324 35 I HN -0.195 8.007 8.210 -0.013 0.000 0.485 36 E N 0.523 120.714 120.200 -0.015 0.000 2.256 36 E HA 0.289 4.627 4.350 -0.021 0.000 0.268 36 E C -0.998 175.593 176.600 -0.016 0.000 0.877 36 E CA -0.149 56.242 56.400 -0.016 0.000 0.757 36 E CB 1.376 31.069 29.700 -0.011 0.000 1.183 36 E HN 0.205 8.557 8.360 -0.014 0.000 0.418 37 G N 3.571 112.361 108.800 -0.016 0.000 5.233 37 G HA2 0.162 4.112 3.960 -0.017 0.000 0.203 37 G HA3 0.162 4.110 3.960 -0.019 0.000 0.203 37 G C -0.833 174.064 174.900 -0.004 0.000 0.734 37 G CA 0.219 45.310 45.100 -0.015 0.000 0.662 37 G HN 0.401 8.679 8.290 -0.019 0.000 0.468 38 G N -0.885 107.918 108.800 0.005 0.000 2.408 38 G HA2 -0.013 3.950 3.960 0.005 0.000 0.215 38 G HA3 -0.013 3.953 3.960 0.009 0.000 0.215 38 G C 0.297 175.232 174.900 0.058 0.000 1.156 38 G CA 0.264 45.374 45.100 0.017 0.000 0.793 38 G HN -0.118 8.174 8.290 0.003 0.000 0.535 39 T N -0.073 114.529 114.554 0.081 0.000 2.761 39 T HA -0.016 4.458 4.350 0.206 0.000 0.296 39 T C -0.913 173.854 174.700 0.111 0.000 0.934 39 T CA -0.245 61.955 62.100 0.167 0.000 1.091 39 T CB 0.159 69.167 68.868 0.234 0.000 0.896 39 T HN -0.562 7.713 8.240 0.058 0.000 0.515 40 K N 8.034 128.548 120.400 0.190 0.000 2.668 40 K HA 0.211 4.485 4.320 -0.076 0.000 0.246 40 K C -1.560 175.172 176.600 0.219 0.000 0.976 40 K CA -0.205 56.128 56.287 0.077 0.000 0.902 40 K CB 1.464 33.992 32.500 0.047 0.000 1.172 40 K HN 0.317 8.745 8.250 0.296 0.000 0.452 41 W N 2.829 124.135 121.300 0.010 0.000 2.822 41 W HA 0.370 5.203 4.660 0.011 -0.166 0.317 41 W C -1.041 175.485 176.519 0.011 0.000 1.033 41 W CA -1.790 55.562 57.345 0.012 0.000 1.252 41 W CB -1.035 28.433 29.460 0.014 0.000 1.186 41 W HN 0.089 8.049 8.180 -0.367 0.000 0.383 42 L N 0.010 121.286 121.223 0.088 0.000 2.478 42 L HA 0.314 4.607 4.340 -0.078 0.000 0.223 42 L C -0.355 176.573 176.870 0.098 0.000 1.140 42 L CA 1.251 56.102 54.840 0.018 0.000 0.842 42 L CB -0.044 42.018 42.059 0.005 0.000 0.953 42 L HN 0.247 8.659 8.230 0.113 -0.114 0.452 43 V N -3.993 116.038 119.914 0.196 0.000 2.472 43 V HA 0.232 4.440 4.120 0.146 0.000 0.290 43 V C -1.359 174.944 176.094 0.348 0.000 1.037 43 V CA -1.199 61.221 62.300 0.200 0.000 0.908 43 V CB 1.385 33.289 31.823 0.136 0.000 0.985 43 V HN -0.816 7.461 8.190 0.237 0.054 0.454 44 N N 4.042 122.910 118.700 0.281 0.000 2.816 44 N HA 0.084 5.080 4.740 0.426 0.000 0.236 44 N C -0.700 174.885 175.510 0.125 0.000 1.076 44 N CA -0.717 52.523 53.050 0.316 0.000 0.902 44 N CB 0.051 38.768 38.487 0.383 0.000 1.149 44 N HN 0.357 8.851 8.380 0.190 0.000 0.506 45 K N 3.228 123.653 120.400 0.042 0.000 2.347 45 K HA 0.128 4.460 4.320 0.019 0.000 0.262 45 K C -0.662 175.896 176.600 -0.070 0.000 1.052 45 K CA -1.720 54.564 56.287 -0.006 0.000 0.946 45 K CB 0.480 32.975 32.500 -0.008 0.000 1.220 45 K HN 0.005 8.270 8.250 0.026 0.000 0.450 46 I N 6.643 127.191 120.570 -0.036 0.000 2.755 46 I HA -0.125 3.980 4.170 -0.107 0.000 0.303 46 I C -0.863 175.218 176.117 -0.061 0.000 1.168 46 I CA 0.818 62.089 61.300 -0.048 0.000 1.588 46 I CB -0.325 37.692 38.000 0.029 0.000 1.509 46 I HN 0.371 8.582 8.210 0.002 0.000 0.734 47 K N 8.420 128.752 120.400 -0.113 0.000 2.639 47 K HA 0.169 4.437 4.320 -0.087 0.000 0.279 47 K C -0.849 175.664 176.600 -0.144 0.000 0.976 47 K CA -0.392 55.834 56.287 -0.102 0.000 0.861 47 K CB 2.185 34.641 32.500 -0.073 0.000 1.436 47 K HN -0.297 7.850 8.250 -0.171 0.000 0.400 48 G N 2.361 111.087 108.800 -0.122 0.000 3.353 48 G HA2 0.076 3.938 3.960 -0.164 0.000 0.247 48 G HA3 0.076 3.973 3.960 -0.105 0.000 0.247 48 G C -0.935 173.898 174.900 -0.112 0.000 1.025 48 G CA 0.414 45.438 45.100 -0.128 0.000 1.863 48 G HN 0.472 8.702 8.290 -0.100 0.000 0.635 49 K N -1.645 118.676 120.400 -0.131 0.000 2.631 49 K HA 0.364 4.640 4.320 -0.075 0.000 0.200 49 K C 0.113 176.640 176.600 -0.122 0.000 1.481 49 K CA -0.339 55.889 56.287 -0.097 0.000 1.087 49 K CB 2.456 34.914 32.500 -0.069 0.000 1.502 49 K HN -0.243 7.801 8.250 -0.166 0.106 0.560 50 M N -5.435 114.045 119.600 -0.200 0.000 7.319 50 M HA -0.535 3.727 4.480 -0.364 0.000 0.172 50 M C -0.509 175.753 176.300 -0.064 0.000 0.480 50 M CA 3.284 58.434 55.300 -0.251 0.000 1.311 50 M CB -1.429 30.962 32.600 -0.348 0.000 0.421 50 M HN -0.201 7.959 8.290 -0.217 0.000 0.276 51 Q N -4.380 115.421 119.800 0.001 0.000 2.040 51 Q HA 0.100 4.454 4.340 0.023 0.000 0.212 51 Q C -0.128 175.889 176.000 0.029 0.000 0.766 51 Q CA -0.315 55.511 55.803 0.038 0.000 0.967 51 Q CB 2.525 31.318 28.738 0.091 0.000 1.202 51 Q HN -0.031 8.236 8.270 -0.003 0.000 0.446 52 K N 1.056 121.465 120.400 0.016 0.000 2.482 52 K HA 0.524 4.855 4.320 0.019 0.000 0.257 52 K C -2.732 173.870 176.600 0.002 0.000 0.969 52 K CA -3.320 52.978 56.287 0.018 0.000 0.842 52 K CB 1.847 34.368 32.500 0.035 0.000 1.359 52 K HN -0.365 7.886 8.250 0.001 0.000 0.441 53 P HA 0.198 4.607 4.420 -0.017 0.000 0.253 53 P C -0.349 176.950 177.300 -0.001 0.000 1.508 53 P CA -0.053 63.042 63.100 -0.007 0.000 0.883 53 P CB -0.024 31.672 31.700 -0.007 0.000 1.519 54 L N -0.873 120.357 121.223 0.012 0.000 2.044 54 L HA -0.038 4.326 4.340 0.040 0.000 0.205 54 L C -0.652 176.234 176.870 0.027 0.000 1.075 54 L CA 4.277 59.137 54.840 0.033 0.000 0.747 54 L CB -2.720 39.371 42.059 0.053 0.000 0.903 54 L HN 0.071 8.168 8.230 0.011 0.139 0.435 55 P HA -0.150 4.292 4.420 0.036 0.000 0.225 55 P C 1.070 178.367 177.300 -0.005 0.000 1.148 55 P CA 2.460 65.565 63.100 0.009 0.000 0.779 55 P CB -0.855 30.834 31.700 -0.020 0.000 0.780 56 E N -2.597 117.587 120.200 -0.026 0.000 2.170 56 E HA -0.118 4.202 4.350 -0.049 0.000 0.191 56 E C 2.179 178.727 176.600 -0.087 0.000 0.981 56 E CA 1.871 58.239 56.400 -0.053 0.000 0.830 56 E CB -0.684 28.980 29.700 -0.060 0.000 0.775 56 E HN -0.189 8.082 8.360 -0.023 0.075 0.470 57 L N -1.157 120.018 121.223 -0.080 0.000 2.131 57 L HA -0.257 3.900 4.340 -0.305 0.000 0.206 57 L C 1.981 178.775 176.870 -0.126 0.000 1.087 57 L CA 2.587 57.324 54.840 -0.171 0.000 0.767 57 L CB -0.336 41.690 42.059 -0.055 0.000 0.917 57 L HN 0.158 8.225 8.230 -0.035 0.142 0.441 58 L N -1.817 119.439 121.223 0.055 0.000 1.994 58 L HA -0.370 4.130 4.340 0.267 0.000 0.208 58 L C 1.820 178.755 176.870 0.107 0.000 1.071 58 L CA 3.947 58.890 54.840 0.173 0.000 0.745 58 L CB -1.056 41.135 42.059 0.220 0.000 0.892 58 L HN -0.513 7.657 8.230 0.050 0.091 0.431 59 K N -3.661 116.766 120.400 0.045 0.000 2.209 59 K HA -0.313 4.155 4.320 0.075 -0.103 0.204 59 K C 1.201 177.775 176.600 -0.044 0.000 1.048 59 K CA 2.414 58.714 56.287 0.023 0.000 0.940 59 K CB -0.586 31.917 32.500 0.004 0.000 0.729 59 K HN -0.823 7.448 8.250 0.035 0.000 0.451 60 E N -0.541 119.572 120.200 -0.146 0.000 2.106 60 E HA -0.271 3.973 4.350 -0.175 0.000 0.192 60 E C 1.853 178.260 176.600 -0.321 0.000 0.984 60 E CA 2.514 58.757 56.400 -0.262 0.000 0.806 60 E CB 0.313 29.785 29.700 -0.379 0.000 0.750 60 E HN -0.703 7.423 8.360 -0.146 0.147 0.458 61 Y N -3.331 116.825 120.300 -0.241 0.000 2.373 61 Y HA -0.270 4.126 4.550 -0.257 0.000 0.293 61 Y C 0.843 176.659 175.900 -0.140 0.000 1.129 61 Y CA 2.443 60.320 58.100 -0.371 0.000 1.226 61 Y CB -0.251 37.561 38.460 -1.081 0.000 1.000 61 Y HN -0.206 7.770 8.280 -0.363 0.087 0.549 62 D N -3.962 116.505 120.400 0.111 0.000 2.348 62 D HA -0.035 4.763 4.640 0.263 0.000 0.272 62 D C -0.221 176.129 176.300 0.084 0.000 1.237 62 D CA -0.152 53.956 54.000 0.181 0.000 1.042 62 D CB 1.701 42.618 40.800 0.195 0.000 1.117 62 D HN -0.694 7.592 8.370 0.056 0.117 0.548 63 L N -3.677 117.592 121.223 0.076 0.000 2.544 63 L HA 0.300 4.664 4.340 0.040 0.000 0.256 63 L C -1.136 175.750 176.870 0.027 0.000 1.097 63 L CA -1.113 53.756 54.840 0.048 0.000 0.812 63 L CB -0.029 42.065 42.059 0.057 0.000 1.440 63 L HN 0.016 8.302 8.230 0.092 0.000 0.496 64 P HA 0.254 4.667 4.420 -0.011 0.000 0.261 64 P C 0.364 177.668 177.300 0.007 0.000 1.352 64 P CA 0.393 63.492 63.100 -0.001 0.000 0.891 64 P CB -0.518 31.175 31.700 -0.012 0.000 1.383 65 I N -4.252 116.334 120.570 0.027 0.000 2.333 65 I HA -0.064 4.131 4.170 0.041 0.000 0.246 65 I C 1.072 177.217 176.117 0.046 0.000 1.106 65 I CA 0.581 61.907 61.300 0.044 0.000 1.411 65 I CB -1.150 36.889 38.000 0.064 0.000 1.082 65 I HN -0.132 7.990 8.210 0.033 0.108 0.420 66 G N 0.600 109.423 108.800 0.039 0.000 2.200 66 G HA2 -0.475 3.506 3.960 0.034 0.000 0.268 66 G HA3 -0.475 3.494 3.960 0.016 0.000 0.268 66 G C 0.565 175.494 174.900 0.048 0.000 0.986 66 G CA 1.531 46.651 45.100 0.033 0.000 0.677 66 G HN -0.317 7.997 8.290 0.040 0.000 0.532 67 I N -3.154 117.456 120.570 0.067 0.000 4.687 67 I HA -0.702 3.513 4.170 0.075 0.000 0.047 67 I C -0.501 175.726 176.117 0.183 0.000 0.625 67 I CA 3.544 64.890 61.300 0.078 0.000 0.733 67 I CB -0.797 37.215 38.000 0.020 0.000 0.682 67 I HN -0.098 8.045 8.210 0.066 0.106 0.158 68 F N -3.754 116.171 119.950 -0.042 0.000 1.682 68 F HA 0.250 4.934 4.527 0.006 -0.153 0.282 68 F C -2.202 173.553 175.800 -0.075 0.000 1.222 68 F CA 1.731 59.697 58.000 -0.058 0.000 1.284 68 F CB 0.036 38.959 39.000 -0.128 0.000 1.948 68 F HN -0.001 8.300 8.300 0.104 0.061 0.167 69 P HA 0.105 4.482 4.420 -0.071 0.000 0.234 69 P C -0.050 177.216 177.300 -0.057 0.000 1.175 69 P CA -0.075 63.027 63.100 0.003 0.000 0.801 69 P CB 0.615 32.354 31.700 0.065 0.000 0.891 70 G N -1.288 107.493 108.800 -0.030 0.000 2.199 70 G HA2 -0.419 3.527 3.960 -0.023 0.000 0.254 70 G HA3 -0.419 3.508 3.960 -0.055 0.000 0.254 70 G C 0.804 175.689 174.900 -0.026 0.000 0.982 70 G CA 0.945 46.025 45.100 -0.035 0.000 0.632 70 G HN -0.426 7.862 8.290 -0.003 0.000 0.529 71 D N 0.715 121.103 120.400 -0.020 0.000 2.149 71 D HA -0.140 4.484 4.640 -0.026 0.000 0.206 71 D C -0.324 175.984 176.300 0.012 0.000 0.967 71 D CA 1.596 55.588 54.000 -0.014 0.000 0.848 71 D CB -0.050 40.741 40.800 -0.015 0.000 0.998 71 D HN 0.181 8.435 8.370 -0.017 0.107 0.474 72 A N -2.091 120.741 122.820 0.020 0.000 2.292 72 A HA 0.037 4.601 4.320 0.042 -0.219 0.265 72 A C -0.852 176.760 177.584 0.046 0.000 1.133 72 A CA -0.146 51.911 52.037 0.035 0.000 0.807 72 A CB 1.378 20.392 19.000 0.025 0.000 1.102 72 A HN -0.391 7.768 8.150 0.015 0.000 0.502 73 T N -4.847 109.745 114.554 0.064 0.000 4.897 73 T HA -0.436 3.971 4.350 0.094 0.000 0.293 73 T C -1.500 173.269 174.700 0.115 0.000 1.495 73 T CA 0.862 63.013 62.100 0.085 0.000 2.723 73 T CB -1.614 67.294 68.868 0.066 0.000 1.638 73 T HN 0.123 8.403 8.240 0.066 0.000 1.013 74 N N -0.027 118.738 118.700 0.109 0.000 2.514 74 N HA 0.068 4.897 4.740 0.150 0.000 0.277 74 N C -2.008 173.614 175.510 0.186 0.000 1.126 74 N CA 0.006 53.138 53.050 0.136 0.000 0.978 74 N CB 1.633 40.179 38.487 0.098 0.000 1.106 74 N HN -0.857 7.547 8.380 0.088 0.028 0.461 75 Y N 4.377 124.733 120.300 0.093 0.000 2.491 75 Y HA 0.004 4.618 4.550 0.106 0.000 0.334 75 Y C -1.640 174.324 175.900 0.106 0.000 0.969 75 Y CA -0.156 58.013 58.100 0.116 0.000 1.241 75 Y CB 0.421 38.984 38.460 0.171 0.000 1.105 75 Y HN 0.377 8.842 8.280 0.309 0.000 0.503 76 E N 6.141 126.306 120.200 -0.058 0.000 2.416 76 E HA 0.397 4.711 4.350 -0.061 0.000 0.273 76 E C -2.069 174.475 176.600 -0.094 0.000 0.935 76 E CA -1.933 54.414 56.400 -0.089 0.000 0.784 76 E CB 5.105 34.757 29.700 -0.080 0.000 1.301 76 E HN 0.174 8.465 8.360 -0.114 0.000 0.454 77 F N -3.845 116.013 119.950 -0.152 0.000 2.631 77 F HA 0.623 5.179 4.527 -0.144 -0.116 0.308 77 F C -1.791 173.966 175.800 -0.071 0.000 1.097 77 F CA -1.762 56.155 58.000 -0.139 0.000 0.952 77 F CB 3.114 42.010 39.000 -0.172 0.000 1.307 77 F HN 0.159 8.080 8.300 -0.632 0.000 0.450 78 D N 1.398 121.845 120.400 0.077 0.000 2.387 78 D HA 0.292 4.868 4.640 -0.107 0.000 0.255 78 D C -0.096 176.273 176.300 0.116 0.000 1.081 78 D CA -0.715 53.291 54.000 0.010 0.000 0.994 78 D CB 2.353 43.157 40.800 0.007 0.000 1.127 78 D HN -0.139 8.310 8.370 0.131 0.000 0.513 79 E N -0.060 120.173 120.200 0.056 0.000 2.021 79 E HA -0.264 4.178 4.350 0.153 0.000 0.189 79 E C 2.127 178.767 176.600 0.066 0.000 0.980 79 E CA 3.629 60.080 56.400 0.084 0.000 0.803 79 E CB 0.105 29.829 29.700 0.041 0.000 0.766 79 E HN 0.508 8.869 8.360 0.001 0.000 0.449 80 E N -1.978 118.245 120.200 0.039 0.000 2.152 80 E HA -0.232 4.136 4.350 0.030 0.000 0.192 80 E C 1.879 178.498 176.600 0.032 0.000 0.983 80 E CA 2.734 59.152 56.400 0.030 0.000 0.818 80 E CB -0.540 29.171 29.700 0.018 0.000 0.758 80 E HN 0.404 8.780 8.360 0.027 0.000 0.467 81 T N -0.260 114.316 114.554 0.037 0.000 2.770 81 T HA -0.208 4.158 4.350 0.026 0.000 0.258 81 T C 0.275 175.003 174.700 0.047 0.000 1.039 81 T CA 1.638 63.759 62.100 0.036 0.000 1.143 81 T CB -0.047 68.841 68.868 0.033 0.000 0.866 81 T HN -0.421 7.817 8.240 0.038 0.025 0.428 82 K N -5.538 114.908 120.400 0.077 0.000 3.407 82 K HA -0.464 4.060 4.320 0.130 -0.126 0.312 82 K C -1.706 174.926 176.600 0.053 0.000 1.302 82 K CA 0.937 57.269 56.287 0.076 0.000 0.931 82 K CB -0.959 31.565 32.500 0.041 0.000 1.257 82 K HN -0.368 7.818 8.250 0.098 0.123 0.454 83 K N -1.526 118.909 120.400 0.058 0.000 2.138 83 K HA 0.078 4.424 4.320 0.043 0.000 0.263 83 K C -1.098 175.526 176.600 0.039 0.000 0.965 83 K CA -0.990 55.323 56.287 0.043 0.000 0.868 83 K CB 1.565 34.087 32.500 0.037 0.000 1.083 83 K HN -0.766 7.436 8.250 0.062 0.086 0.443 84 L N 5.466 126.687 121.223 -0.003 0.000 2.395 84 L HA 0.153 4.578 4.340 0.014 -0.077 0.269 84 L C -1.735 175.112 176.870 -0.037 0.000 1.133 84 L CA 0.004 54.814 54.840 -0.049 0.000 0.812 84 L CB 1.902 43.848 42.059 -0.189 0.000 1.125 84 L HN -0.072 8.152 8.230 -0.009 0.000 0.452 85 T N 5.647 120.173 114.554 -0.047 0.000 2.840 85 T HA 0.603 5.137 4.350 -0.008 -0.189 0.287 85 T C -1.203 173.484 174.700 -0.020 0.000 0.991 85 T CA -1.668 60.419 62.100 -0.022 0.000 0.964 85 T CB 1.685 70.548 68.868 -0.009 0.000 0.954 85 T HN 0.872 8.944 8.240 -0.067 0.128 0.438 86 V N 9.801 129.722 119.914 0.011 0.000 2.407 86 V HA 0.673 5.188 4.120 0.049 -0.366 0.278 86 V C -1.156 174.969 176.094 0.052 0.000 1.037 86 V CA -1.674 60.651 62.300 0.043 0.000 0.900 86 V CB 1.669 33.529 31.823 0.063 0.000 0.983 86 V HN 0.559 8.759 8.190 0.017 0.000 0.459 87 L N 7.919 129.176 121.223 0.058 0.000 2.265 87 L HA 0.357 4.914 4.340 0.053 -0.185 0.288 87 L C -0.478 176.429 176.870 0.063 0.000 1.058 87 L CA -0.565 54.309 54.840 0.057 0.000 0.809 87 L CB 0.188 42.279 42.059 0.054 0.000 1.179 87 L HN -0.253 8.015 8.230 0.065 0.000 0.429 88 I N 6.153 126.763 120.570 0.066 0.000 2.359 88 I HA 0.228 4.431 4.170 0.054 0.000 0.294 88 I C -0.774 175.378 176.117 0.058 0.000 0.987 88 I CA -3.315 58.024 61.300 0.064 0.000 1.225 88 I CB 0.533 38.586 38.000 0.087 0.000 1.366 88 I HN 0.904 9.030 8.210 0.068 0.125 0.466 89 P HA -0.179 4.275 4.420 0.057 0.000 0.216 89 P C -1.332 176.000 177.300 0.054 0.000 1.150 89 P CA 1.692 64.821 63.100 0.049 0.000 0.843 89 P CB 0.431 32.151 31.700 0.034 0.000 0.787 90 S N -6.134 109.598 115.700 0.052 0.000 2.567 90 S HA -0.032 4.472 4.470 0.057 0.000 0.270 90 S C -1.747 172.893 174.600 0.067 0.000 1.152 90 S CA -1.776 56.457 58.200 0.056 0.000 0.835 90 S CB 1.763 64.993 63.200 0.049 0.000 1.115 90 S HN -0.846 7.471 8.310 0.050 0.022 0.459 91 I N 3.476 124.088 120.570 0.070 0.000 2.505 91 I HA 0.033 4.501 4.170 0.112 -0.231 0.287 91 I C -0.677 175.495 176.117 0.091 0.000 1.104 91 I CA -0.016 61.336 61.300 0.087 0.000 1.387 91 I CB -0.785 37.257 38.000 0.069 0.000 1.404 91 I HN 0.187 8.433 8.210 0.060 0.000 0.528 92 C N 10.527 129.906 119.300 0.133 0.000 2.298 92 C HA 0.277 4.785 4.460 0.080 0.000 0.323 92 C C -1.912 173.196 174.990 0.196 0.000 1.284 92 C CA -2.602 56.492 59.018 0.126 0.000 1.577 92 C CB 1.741 29.525 27.740 0.074 0.000 2.249 92 C HN 0.583 8.922 8.230 0.182 0.000 0.497 93 E N 9.209 129.488 120.200 0.132 0.000 2.092 93 E HA 0.646 5.300 4.350 0.169 -0.203 0.271 93 E C -1.198 175.477 176.600 0.125 0.000 0.919 93 E CA -1.352 55.127 56.400 0.131 0.000 0.760 93 E CB 1.368 31.113 29.700 0.075 0.000 1.106 93 E HN 0.498 8.913 8.360 0.091 0.000 0.408 94 V N 6.131 126.151 119.914 0.177 0.000 2.357 94 V HA 0.292 4.466 4.120 0.089 0.000 0.284 94 V C -2.290 173.884 176.094 0.133 0.000 1.018 94 V CA -2.036 60.348 62.300 0.140 0.000 0.841 94 V CB 1.626 33.542 31.823 0.155 0.000 0.991 94 V HN 0.823 9.156 8.190 0.238 0.000 0.437 95 G N 6.902 115.769 108.800 0.112 0.000 2.591 95 G HA2 0.541 4.628 3.960 0.125 0.000 0.306 95 G HA3 0.541 4.569 3.960 0.087 -0.016 0.306 95 G C -2.611 172.403 174.900 0.190 0.000 1.334 95 G CA -0.190 44.982 45.100 0.120 0.000 0.981 95 G HN -0.016 8.332 8.290 0.097 0.000 0.491 96 Y N 2.246 122.547 120.300 0.001 0.000 2.764 96 Y HA 0.173 4.718 4.550 -0.010 0.000 0.331 96 Y C -1.131 174.765 175.900 -0.007 0.000 1.280 96 Y CA -0.836 57.259 58.100 -0.009 0.000 1.065 96 Y CB 3.821 42.268 38.460 -0.022 0.000 1.319 96 Y HN -0.434 7.953 8.280 0.178 0.000 0.453 97 K N -0.045 120.144 120.400 -0.353 0.000 2.574 97 K HA -0.222 4.029 4.320 -0.114 0.000 0.193 97 K C 0.366 176.973 176.600 0.011 0.000 1.035 97 K CA 1.318 57.494 56.287 -0.185 0.000 0.982 97 K CB -0.798 31.526 32.500 -0.293 0.000 0.795 97 K HN 0.231 7.827 8.250 -1.089 0.000 0.491 98 D N -1.004 119.505 120.400 0.182 0.000 2.126 98 D HA -0.276 4.463 4.640 0.165 0.000 0.190 98 D C 0.661 177.009 176.300 0.080 0.000 1.001 98 D CA 2.721 56.815 54.000 0.157 0.000 0.841 98 D CB 0.069 40.952 40.800 0.138 0.000 0.949 98 D HN 0.148 8.580 8.370 0.317 0.129 0.446 99 S N -3.961 111.786 115.700 0.078 0.000 4.471 99 S HA 0.187 4.694 4.470 0.062 0.000 0.191 99 S C -0.404 174.231 174.600 0.057 0.000 1.128 99 S CA 1.013 59.255 58.200 0.071 0.000 1.153 99 S CB 2.360 65.617 63.200 0.094 0.000 1.583 99 S HN -0.659 7.707 8.310 0.094 0.000 0.590 100 S N -1.160 114.579 115.700 0.065 0.000 5.776 100 S HA 0.185 4.667 4.470 0.020 0.000 0.126 100 S C -2.110 172.523 174.600 0.054 0.000 1.108 100 S CA 0.753 58.978 58.200 0.041 0.000 1.418 100 S CB 1.853 65.071 63.200 0.029 0.000 2.040 100 S HN 0.148 8.509 8.310 0.086 0.000 0.591 101 V N 0.592 120.545 119.914 0.066 0.000 3.108 101 V HA 0.243 4.612 4.120 0.095 -0.192 0.287 101 V C -2.840 173.300 176.094 0.077 0.000 1.436 101 V CA -0.339 62.004 62.300 0.072 0.000 1.001 101 V CB 3.228 35.075 31.823 0.039 0.000 1.141 101 V HN -0.215 8.018 8.190 0.071 0.000 0.443 102 L N 4.757 126.036 121.223 0.092 0.000 2.410 102 L HA 0.549 5.014 4.340 -0.018 -0.136 0.270 102 L C -2.298 174.556 176.870 -0.028 0.000 0.983 102 L CA -1.280 53.574 54.840 0.024 0.000 0.822 102 L CB 4.191 46.328 42.059 0.131 0.000 1.285 102 L HN 0.732 8.920 8.230 0.121 0.115 0.409 103 K N 3.079 123.382 120.400 -0.161 0.000 2.367 103 K HA 0.425 4.894 4.320 0.042 -0.124 0.263 103 K C -1.767 174.696 176.600 -0.229 0.000 1.000 103 K CA -1.240 54.993 56.287 -0.090 0.000 0.891 103 K CB 2.382 34.862 32.500 -0.034 0.000 1.117 103 K HN 0.747 8.876 8.250 -0.201 0.000 0.443 104 F N 7.115 127.090 119.950 0.040 0.000 2.313 104 F HA 0.272 4.815 4.527 0.026 0.000 0.369 104 F C -0.645 175.172 175.800 0.027 0.000 1.109 104 F CA -0.646 57.373 58.000 0.031 0.000 1.132 104 F CB 0.479 39.499 39.000 0.033 0.000 1.291 104 F HN 0.980 9.371 8.300 0.324 0.104 0.496 105 T N 6.642 121.277 114.554 0.135 0.000 2.788 105 T HA 0.058 4.464 4.350 0.093 0.000 0.287 105 T C -0.009 174.754 174.700 0.105 0.000 1.007 105 T CA 0.215 62.372 62.100 0.096 0.000 1.005 105 T CB 1.371 70.270 68.868 0.051 0.000 1.012 105 T HN -0.074 8.213 8.240 0.078 0.000 0.530 106 T N -1.839 112.762 114.554 0.078 0.000 2.612 106 T HA -0.195 4.347 4.350 0.078 -0.145 0.259 106 T C 0.786 175.523 174.700 0.061 0.000 1.065 106 T CA 2.834 64.975 62.100 0.070 0.000 1.167 106 T CB 0.079 68.981 68.868 0.057 0.000 0.863 106 T HN 0.013 8.293 8.240 0.066 0.000 0.407 107 T N 5.416 119.999 114.554 0.048 0.000 3.151 107 T HA 0.127 4.500 4.350 0.039 0.000 0.332 107 T C -1.148 173.573 174.700 0.035 0.000 1.245 107 T CA 0.187 62.310 62.100 0.038 0.000 1.019 107 T CB -0.296 68.588 68.868 0.026 0.000 1.109 107 T HN -0.284 7.983 8.240 0.044 0.000 0.621 108 V N 7.798 127.738 119.914 0.043 0.000 2.532 108 V HA 0.296 4.559 4.120 0.031 -0.125 0.295 108 V C -0.985 175.125 176.094 0.027 0.000 1.041 108 V CA -2.673 59.650 62.300 0.038 0.000 0.926 108 V CB 2.717 34.573 31.823 0.056 0.000 0.992 108 V HN 0.112 8.332 8.190 0.050 0.000 0.457 109 T N 3.324 117.891 114.554 0.021 0.000 2.948 109 T HA 0.957 5.501 4.350 0.012 -0.187 0.285 109 T C -0.746 173.967 174.700 0.021 0.000 1.019 109 T CA -2.584 59.527 62.100 0.017 0.000 1.013 109 T CB 2.615 71.494 68.868 0.017 0.000 1.117 109 T HN -0.144 8.107 8.240 0.020 0.000 0.533 110 G N -1.574 107.241 108.800 0.025 0.000 2.328 110 G HA2 0.101 4.278 3.960 0.051 0.000 0.295 110 G HA3 0.101 4.054 3.960 0.039 0.029 0.295 110 G C -3.432 171.509 174.900 0.068 0.000 1.413 110 G CA 0.604 45.731 45.100 0.045 0.000 0.817 110 G HN 0.234 8.535 8.290 0.018 0.000 0.546 111 H N 1.719 120.784 119.070 -0.007 0.000 2.761 111 H HA 0.324 4.870 4.556 -0.018 0.000 0.284 111 H C -1.922 173.409 175.328 0.005 0.000 1.105 111 H CA -0.966 55.077 56.048 -0.008 0.000 1.352 111 H CB 1.178 30.936 29.762 -0.007 0.000 1.423 111 H HN 0.066 8.444 8.280 0.164 0.000 0.464 112 L N 6.165 127.205 121.223 -0.306 0.000 2.312 112 L HA 0.190 4.467 4.340 -0.105 0.000 0.281 112 L C -1.367 175.306 176.870 -0.328 0.000 1.070 112 L CA -0.924 53.794 54.840 -0.205 0.000 0.805 112 L CB 1.148 43.154 42.059 -0.088 0.000 1.174 112 L HN 0.330 8.387 8.230 -0.288 0.000 0.434 113 E N 5.338 125.435 120.200 -0.172 0.000 2.383 113 E HA 0.238 4.502 4.350 -0.143 0.000 0.275 113 E C -1.956 174.643 176.600 -0.001 0.000 0.918 113 E CA -2.675 53.651 56.400 -0.122 0.000 0.764 113 E CB 4.439 34.073 29.700 -0.110 0.000 1.252 113 E HN 0.146 8.462 8.360 -0.075 0.000 0.449 114 K N 2.232 122.646 120.400 0.024 0.000 2.307 114 K HA -0.096 4.260 4.320 0.060 0.000 0.285 114 K C 0.371 176.995 176.600 0.040 0.000 1.073 114 K CA 0.721 57.035 56.287 0.044 0.000 0.996 114 K CB -1.368 31.159 32.500 0.044 0.000 0.994 114 K HN 0.286 8.543 8.250 0.013 0.000 0.452 115 G N 3.367 112.194 108.800 0.046 0.000 3.330 115 G HA2 -0.165 3.823 3.960 0.047 0.000 0.197 115 G HA3 -0.165 3.825 3.960 0.051 0.000 0.197 115 G C -2.259 172.679 174.900 0.062 0.000 1.284 115 G CA 0.247 45.377 45.100 0.051 0.000 0.921 115 G HN -0.061 8.260 8.290 0.052 0.000 0.466 116 K N -0.634 119.802 120.400 0.059 0.000 2.464 116 K HA 0.390 4.754 4.320 0.073 0.000 0.253 116 K C -2.381 174.250 176.600 0.051 0.000 0.933 116 K CA -1.746 54.582 56.287 0.067 0.000 0.801 116 K CB 2.966 35.514 32.500 0.080 0.000 1.271 116 K HN -0.972 7.307 8.250 0.048 0.000 0.430 117 L N 5.469 126.725 121.223 0.054 0.000 2.264 117 L HA 0.635 5.130 4.340 0.018 -0.145 0.287 117 L C -1.779 175.128 176.870 0.062 0.000 1.039 117 L CA -1.227 53.640 54.840 0.044 0.000 0.829 117 L CB 1.501 43.587 42.059 0.044 0.000 1.211 117 L HN 0.146 8.413 8.230 0.061 0.000 0.427 118 T N 2.783 117.399 114.554 0.102 0.000 2.859 118 T HA 0.421 4.811 4.350 0.067 0.000 0.281 118 T C -0.953 173.806 174.700 0.099 0.000 1.005 118 T CA -2.632 59.532 62.100 0.107 0.000 1.025 118 T CB 1.959 70.913 68.868 0.144 0.000 0.977 118 T HN 0.730 9.043 8.240 0.121 0.000 0.458 119 D N 2.076 122.504 120.400 0.045 0.000 4.288 119 D HA -0.429 4.418 4.640 0.003 -0.206 0.234 119 D C -1.023 175.293 176.300 0.027 0.000 1.054 119 D CA 1.816 55.830 54.000 0.023 0.000 1.227 119 D CB -0.888 39.920 40.800 0.012 0.000 0.788 119 D HN -0.062 8.326 8.370 0.031 0.000 0.393 120 V N -6.289 113.629 119.914 0.007 0.000 3.211 120 V HA 0.666 4.949 4.120 0.020 -0.151 0.319 120 V C -0.607 175.486 176.094 -0.001 0.000 1.096 120 V CA -2.725 59.579 62.300 0.006 0.000 1.029 120 V CB 2.779 34.598 31.823 -0.005 0.000 1.137 120 V HN -0.771 7.414 8.190 -0.008 0.000 0.453 121 E N 0.605 120.806 120.200 0.002 0.000 2.923 121 E HA 0.393 4.741 4.350 -0.005 0.000 0.266 121 E C -1.098 175.504 176.600 0.003 0.000 1.157 121 E CA -1.026 55.375 56.400 0.001 0.000 0.795 121 E CB 0.951 30.656 29.700 0.007 0.000 1.454 121 E HN 0.384 8.749 8.360 0.009 0.000 0.386 122 G N 1.672 110.467 108.800 -0.008 0.000 3.509 122 G HA2 -0.087 3.874 3.960 0.000 0.000 0.220 122 G HA3 -0.087 3.879 3.960 0.009 0.000 0.220 122 G C -2.218 172.662 174.900 -0.033 0.000 0.951 122 G CA 0.567 45.664 45.100 -0.005 0.000 0.844 122 G HN -0.229 8.050 8.290 -0.018 0.000 0.568 123 I N 2.361 122.889 120.570 -0.070 0.000 2.287 123 I HA 0.338 4.639 4.170 -0.204 -0.253 0.290 123 I C -1.117 174.896 176.117 -0.174 0.000 1.069 123 I CA -0.821 60.370 61.300 -0.182 0.000 1.237 123 I CB 0.253 38.106 38.000 -0.246 0.000 1.418 123 I HN -0.309 7.869 8.210 -0.052 0.000 0.481 124 K N 9.404 129.719 120.400 -0.140 0.000 2.285 124 K HA 0.185 4.615 4.320 -0.036 -0.131 0.286 124 K C -1.148 175.399 176.600 -0.087 0.000 1.072 124 K CA -0.385 55.866 56.287 -0.061 0.000 0.913 124 K CB 1.137 33.643 32.500 0.011 0.000 1.067 124 K HN -0.095 8.069 8.250 -0.143 0.000 0.479 125 T N 10.086 124.616 114.554 -0.041 0.000 2.812 125 T HA 0.215 4.542 4.350 -0.039 0.000 0.282 125 T C -2.378 172.379 174.700 0.094 0.000 0.990 125 T CA 0.276 62.367 62.100 -0.014 0.000 0.960 125 T CB 2.202 71.036 68.868 -0.056 0.000 0.948 125 T HN 1.101 9.219 8.240 -0.015 0.114 0.438 126 K N 8.441 128.919 120.400 0.131 0.000 2.449 126 K HA 0.663 5.375 4.320 0.197 -0.274 0.257 126 K C -0.744 175.949 176.600 0.156 0.000 0.989 126 K CA -2.511 53.883 56.287 0.178 0.000 0.916 126 K CB 1.448 34.071 32.500 0.204 0.000 1.136 126 K HN 0.052 8.367 8.250 0.109 0.000 0.439 127 V N 1.292 121.296 119.914 0.149 0.000 3.379 127 V HA 0.219 4.424 4.120 0.142 0.000 0.249 127 V C -0.754 175.409 176.094 0.114 0.000 1.184 127 V CA 0.682 63.067 62.300 0.141 0.000 1.106 127 V CB 1.404 33.324 31.823 0.162 0.000 0.826 127 V HN -0.173 8.100 8.190 0.139 0.000 0.465 128 M N -2.800 116.869 119.600 0.115 0.000 1.681 128 M HA 0.047 4.585 4.480 0.097 0.000 0.257 128 M C -2.080 174.293 176.300 0.122 0.000 0.989 128 M CA 1.079 56.439 55.300 0.099 0.000 0.992 128 M CB 1.353 33.996 32.600 0.071 0.000 1.904 128 M HN -0.391 7.974 8.290 0.126 0.000 0.692 129 I N -2.705 117.934 120.570 0.114 0.000 2.828 129 I HA 0.242 4.563 4.170 0.251 0.000 0.302 129 I C -1.654 174.560 176.117 0.162 0.000 1.101 129 I CA -1.883 59.481 61.300 0.107 0.000 1.031 129 I CB 3.383 41.328 38.000 -0.092 0.000 1.231 129 I HN -0.777 7.488 8.210 0.092 0.000 0.427 130 W N 5.209 126.512 121.300 0.004 0.000 2.332 130 W HA 0.608 5.479 4.660 -0.001 -0.212 0.306 130 W C -1.777 174.737 176.519 -0.010 0.000 1.149 130 W CA -1.671 55.672 57.345 -0.003 0.000 1.271 130 W CB 0.707 30.165 29.460 -0.005 0.000 1.243 130 W HN 0.123 8.530 8.180 0.378 0.000 0.459 131 V N 4.244 124.155 119.914 -0.005 0.000 2.925 131 V HA 0.314 4.335 4.120 -0.166 0.000 0.311 131 V C -0.812 175.266 176.094 -0.026 0.000 1.104 131 V CA -2.439 59.809 62.300 -0.087 0.000 0.954 131 V CB 4.801 36.566 31.823 -0.095 0.000 1.022 131 V HN 0.928 9.053 8.190 0.076 0.111 0.427 132 K N 1.501 121.881 120.400 -0.034 0.000 2.397 132 K HA 0.079 4.554 4.320 -0.036 -0.177 0.202 132 K C -0.644 175.932 176.600 -0.041 0.000 1.022 132 K CA 1.012 57.282 56.287 -0.030 0.000 1.141 132 K CB 0.330 32.824 32.500 -0.011 0.000 0.857 132 K HN 0.350 8.569 8.250 -0.051 0.000 0.514 133 V N -7.457 112.430 119.914 -0.044 0.000 3.398 133 V HA 0.333 4.565 4.120 -0.032 -0.131 0.298 133 V C -0.753 175.319 176.094 -0.036 0.000 1.496 133 V CA -1.651 60.627 62.300 -0.037 0.000 1.044 133 V CB 0.118 31.921 31.823 -0.033 0.000 0.880 133 V HN -0.333 7.740 8.190 -0.049 0.088 0.443 134 T N 0.566 115.094 114.554 -0.043 0.000 2.765 134 T HA -0.154 4.182 4.350 -0.024 0.000 0.284 134 T C -0.127 174.541 174.700 -0.054 0.000 0.946 134 T CA 1.323 63.402 62.100 -0.036 0.000 1.185 134 T CB -0.134 68.719 68.868 -0.025 0.000 0.887 134 T HN -0.600 7.612 8.240 -0.047 0.000 0.532 135 S N 4.275 119.957 115.700 -0.030 0.000 2.747 135 S HA 0.131 4.570 4.470 -0.051 0.000 0.300 135 S C -1.287 173.301 174.600 -0.021 0.000 1.121 135 S CA -2.295 55.889 58.200 -0.027 0.000 0.995 135 S CB 2.315 65.520 63.200 0.007 0.000 1.113 135 S HN -0.340 7.962 8.310 -0.013 0.000 0.547 136 I N 1.897 122.460 120.570 -0.010 0.000 2.306 136 I HA 0.437 4.740 4.170 0.013 -0.126 0.288 136 I C -1.851 174.312 176.117 0.076 0.000 1.036 136 I CA -1.621 59.687 61.300 0.014 0.000 1.221 136 I CB 1.307 39.299 38.000 -0.014 0.000 1.385 136 I HN -0.411 7.798 8.210 -0.001 0.000 0.472 137 S N 9.553 125.328 115.700 0.125 0.000 2.411 137 S HA 0.371 4.909 4.470 0.113 0.000 0.294 137 S C -1.168 173.576 174.600 0.240 0.000 1.115 137 S CA -1.388 56.904 58.200 0.152 0.000 1.071 137 S CB 0.334 63.605 63.200 0.119 0.000 0.967 137 S HN -0.022 8.374 8.310 0.143 0.000 0.488 138 T N 7.666 122.323 114.554 0.172 0.000 2.912 138 T HA 0.356 4.943 4.350 0.187 -0.125 0.288 138 T C -1.085 173.701 174.700 0.144 0.000 1.030 138 T CA -0.675 61.518 62.100 0.155 0.000 1.020 138 T CB 2.968 71.888 68.868 0.087 0.000 1.056 138 T HN 0.052 8.369 8.240 0.127 0.000 0.480 139 D N 2.218 122.699 120.400 0.134 0.000 2.738 139 D HA 0.048 4.748 4.640 0.101 0.000 0.246 139 D C 0.252 176.590 176.300 0.063 0.000 1.270 139 D CA -0.380 53.684 54.000 0.108 0.000 0.833 139 D CB 0.146 41.027 40.800 0.135 0.000 1.040 139 D HN 0.234 8.676 8.370 0.120 0.000 0.487 140 A N -2.414 120.436 122.820 0.051 0.000 2.832 140 A HA -0.345 3.992 4.320 0.028 0.000 0.280 140 A C -1.116 176.477 177.584 0.015 0.000 1.464 140 A CA 1.491 53.546 52.037 0.029 0.000 0.804 140 A CB -1.285 17.730 19.000 0.025 0.000 1.020 140 A HN -0.182 7.906 8.150 0.062 0.099 0.563 141 S N -4.570 111.138 115.700 0.013 0.000 6.561 141 S HA -0.044 4.419 4.470 -0.012 0.000 0.088 141 S C -1.765 172.820 174.600 -0.025 0.000 1.257 141 S CA 0.837 59.034 58.200 -0.005 0.000 1.327 141 S CB 0.547 63.749 63.200 0.002 0.000 1.856 141 S HN 0.122 8.438 8.310 0.022 0.007 0.562 142 K N 0.807 121.186 120.400 -0.034 0.000 2.118 142 K HA 0.392 4.640 4.320 -0.120 0.000 0.264 142 K C -1.844 174.651 176.600 -0.175 0.000 1.000 142 K CA -0.450 55.762 56.287 -0.124 0.000 0.929 142 K CB 1.224 33.630 32.500 -0.157 0.000 1.021 142 K HN -0.270 7.980 8.250 -0.000 0.000 0.463 143 V N 0.640 120.390 119.914 -0.274 0.000 2.628 143 V HA 0.151 4.234 4.120 -0.063 0.000 0.306 143 V C -1.483 174.369 176.094 -0.403 0.000 1.045 143 V CA -2.008 60.179 62.300 -0.188 0.000 0.905 143 V CB 2.942 34.750 31.823 -0.024 0.000 0.997 143 V HN 0.182 8.200 8.190 -0.287 0.000 0.436 144 Y N 6.463 126.827 120.300 0.107 0.000 2.338 144 Y HA 0.156 4.796 4.550 0.150 0.000 0.328 144 Y C -1.067 174.934 175.900 0.169 0.000 0.965 144 Y CA -1.651 56.528 58.100 0.132 0.000 1.208 144 Y CB 1.168 39.684 38.460 0.093 0.000 1.132 144 Y HN 0.457 8.851 8.280 0.190 0.000 0.469 145 F N 4.420 124.471 119.950 0.168 0.000 2.628 145 F HA -0.130 4.480 4.527 0.138 0.000 0.346 145 F C 0.104 175.994 175.800 0.150 0.000 1.188 145 F CA 0.945 59.032 58.000 0.146 0.000 1.376 145 F CB 2.307 41.385 39.000 0.129 0.000 1.104 145 F HN -0.033 8.526 8.300 0.432 0.000 0.616 146 T N -0.153 114.018 114.554 -0.638 0.000 2.758 146 T HA -0.384 4.050 4.350 -0.178 -0.190 0.249 146 T C -0.414 174.232 174.700 -0.090 0.000 1.011 146 T CA 1.941 63.819 62.100 -0.370 0.000 1.301 146 T CB -1.760 66.803 68.868 -0.508 0.000 0.992 146 T HN 0.106 7.426 8.240 -1.533 0.000 0.549 147 A N 6.089 128.922 122.820 0.023 0.000 2.836 147 A HA -0.013 4.326 4.320 0.031 0.000 0.206 147 A C -0.878 176.746 177.584 0.066 0.000 2.193 147 A CA 0.513 52.589 52.037 0.065 0.000 1.435 147 A CB 0.876 19.957 19.000 0.135 0.000 0.911 147 A HN 0.614 8.777 8.150 0.022 0.000 0.430 148 G N -0.667 108.194 108.800 0.101 0.000 2.943 148 G HA2 -0.207 3.812 3.960 0.098 0.000 0.250 148 G HA3 -0.207 3.774 3.960 0.034 0.000 0.250 148 G C -0.389 174.556 174.900 0.075 0.000 0.996 148 G CA 0.119 45.265 45.100 0.077 0.000 1.248 148 G HN -0.002 8.373 8.290 0.142 0.000 0.589 149 M N -2.682 117.018 119.600 0.167 0.000 2.909 149 M HA -0.577 4.126 4.480 0.371 0.000 0.182 149 M C -0.493 175.903 176.300 0.160 0.000 0.642 149 M CA 1.897 57.301 55.300 0.174 0.000 0.695 149 M CB -1.044 31.534 32.600 -0.037 0.000 2.505 149 M HN 0.059 8.514 8.290 0.276 0.000 0.282 150 K N -3.001 117.487 120.400 0.147 0.000 2.147 150 K HA -0.245 4.132 4.320 0.095 0.000 0.205 150 K C 0.006 176.692 176.600 0.145 0.000 1.049 150 K CA 1.438 57.802 56.287 0.127 0.000 0.936 150 K CB -0.137 32.435 32.500 0.121 0.000 0.722 150 K HN 0.248 8.454 8.250 0.146 0.131 0.446 151 K N -0.710 119.811 120.400 0.201 0.000 2.450 151 K HA 0.258 4.630 4.320 0.087 0.000 0.257 151 K C -1.493 175.205 176.600 0.163 0.000 0.953 151 K CA -1.480 54.895 56.287 0.146 0.000 0.844 151 K CB 1.493 34.065 32.500 0.120 0.000 1.103 151 K HN 0.021 8.406 8.250 0.261 0.021 0.429 152 S N 4.538 120.300 115.700 0.104 0.000 2.411 152 S HA 0.032 4.605 4.470 0.171 0.000 0.294 152 S C -0.016 174.607 174.600 0.038 0.000 1.115 152 S CA 0.024 58.288 58.200 0.107 0.000 1.071 152 S CB 0.285 63.544 63.200 0.098 0.000 0.967 152 S HN 0.252 8.605 8.310 0.071 0.000 0.488 153 R N 5.206 125.727 120.500 0.035 0.000 2.628 153 R HA 0.186 4.519 4.340 -0.011 0.000 0.288 153 R C -1.203 175.084 176.300 -0.022 0.000 0.980 153 R CA -1.531 54.572 56.100 0.005 0.000 0.891 153 R CB 2.881 33.193 30.300 0.020 0.000 1.188 153 R HN 0.091 8.397 8.270 0.060 0.000 0.450 154 S N 2.961 118.648 115.700 -0.022 0.000 2.499 154 S HA 0.121 4.536 4.470 -0.092 0.000 0.279 154 S C 0.891 175.476 174.600 -0.026 0.000 1.219 154 S CA -0.471 57.701 58.200 -0.047 0.000 1.062 154 S CB 1.255 64.433 63.200 -0.036 0.000 0.978 154 S HN 0.172 8.477 8.310 -0.007 0.000 0.489 155 R N 6.852 127.321 120.500 -0.052 0.000 2.148 155 R HA -0.229 4.307 4.340 0.010 -0.190 0.227 155 R C 1.479 177.755 176.300 -0.041 0.000 1.103 155 R CA 2.593 58.676 56.100 -0.028 0.000 0.983 155 R CB -0.317 29.957 30.300 -0.044 0.000 0.874 155 R HN 0.665 8.879 8.270 -0.093 0.000 0.451 156 D N -2.339 118.026 120.400 -0.058 0.000 2.191 156 D HA -0.261 4.328 4.640 -0.085 0.000 0.190 156 D C 0.704 176.922 176.300 -0.136 0.000 1.007 156 D CA 3.076 57.026 54.000 -0.083 0.000 0.865 156 D CB -0.224 40.535 40.800 -0.069 0.000 0.929 156 D HN 0.268 8.558 8.370 -0.057 0.046 0.447 157 A N -2.220 120.526 122.820 -0.124 0.000 1.855 157 A HA -0.075 4.032 4.320 -0.354 0.000 0.213 157 A C 0.431 177.686 177.584 -0.548 0.000 1.195 157 A CA 2.092 53.965 52.037 -0.274 0.000 0.610 157 A CB 0.912 19.878 19.000 -0.057 0.000 0.837 157 A HN -0.323 7.776 8.150 -0.054 0.018 0.444 158 Y N -5.656 114.613 120.300 -0.051 0.000 2.926 158 Y HA 0.012 4.468 4.550 -0.156 0.000 0.258 158 Y C -0.570 175.303 175.900 -0.044 0.000 1.110 158 Y CA -0.191 57.837 58.100 -0.120 0.000 1.224 158 Y CB 1.498 39.785 38.460 -0.289 0.000 1.276 158 Y HN -0.303 8.022 8.280 0.076 0.000 0.595 159 G N 0.459 109.313 108.800 0.089 0.000 4.269 159 G HA2 -0.430 3.589 3.960 0.044 0.000 0.290 159 G HA3 -0.430 3.836 3.960 0.087 -0.254 0.290 159 G C -1.418 173.564 174.900 0.136 0.000 1.570 159 G CA 0.369 45.521 45.100 0.086 0.000 1.072 159 G HN 0.226 8.440 8.290 0.030 0.094 0.681 160 V N 5.663 125.693 119.914 0.192 0.000 2.383 160 V HA 0.085 4.339 4.120 0.224 0.000 0.275 160 V C -0.848 175.395 176.094 0.248 0.000 1.036 160 V CA -0.914 61.522 62.300 0.226 0.000 0.889 160 V CB -0.115 31.834 31.823 0.209 0.000 0.985 160 V HN -0.394 7.917 8.190 0.202 0.000 0.459 161 Q N 7.527 127.431 119.800 0.173 0.000 2.509 161 Q HA 0.168 4.624 4.340 0.194 0.000 0.230 161 Q C -1.017 174.948 176.000 -0.059 0.000 1.089 161 Q CA -0.917 54.948 55.803 0.103 0.000 0.901 161 Q CB -0.806 27.990 28.738 0.097 0.000 1.208 161 Q HN 0.224 8.592 8.270 0.164 0.000 0.529 162 R N 1.708 122.129 120.500 -0.132 0.000 2.680 162 R HA 0.338 4.535 4.340 -0.239 0.000 0.269 162 R C -1.531 174.544 176.300 -0.376 0.000 1.026 162 R CA -1.778 54.182 56.100 -0.233 0.000 0.889 162 R CB 3.278 33.476 30.300 -0.169 0.000 1.241 162 R HN -0.383 7.810 8.270 -0.128 0.000 0.463 163 N N 1.986 120.480 118.700 -0.342 0.000 2.482 163 N HA -0.003 4.408 4.740 -0.547 0.000 0.242 163 N C -0.969 174.358 175.510 -0.305 0.000 1.100 163 N CA 0.182 53.003 53.050 -0.381 0.000 0.946 163 N CB -0.096 38.217 38.487 -0.289 0.000 1.227 163 N HN 0.292 8.492 8.380 -0.300 0.000 0.508 164 G N -0.748 107.812 108.800 -0.399 0.000 2.619 164 G HA2 0.595 4.467 3.960 -0.147 0.000 0.296 164 G HA3 0.595 4.410 3.960 -0.242 0.000 0.296 164 G C -2.550 172.198 174.900 -0.252 0.000 1.334 164 G CA -0.261 44.687 45.100 -0.253 0.000 0.934 164 G HN -0.306 7.602 8.290 -0.637 0.000 0.476 165 L N -3.002 118.143 121.223 -0.130 0.000 2.441 165 L HA 0.520 4.793 4.340 -0.112 0.000 0.270 165 L C -0.733 176.114 176.870 -0.038 0.000 0.973 165 L CA -0.654 54.134 54.840 -0.088 0.000 0.842 165 L CB 1.793 43.818 42.059 -0.057 0.000 1.239 165 L HN -0.320 7.861 8.230 -0.082 0.000 0.406 166 R N 3.469 123.950 120.500 -0.031 0.000 2.248 166 R HA 0.018 4.367 4.340 0.015 0.000 0.337 166 R C -0.027 176.283 176.300 0.016 0.000 1.085 166 R CA -1.442 54.659 56.100 0.002 0.000 0.934 166 R CB -0.398 29.905 30.300 0.005 0.000 1.034 166 R HN 0.401 8.644 8.270 -0.045 0.000 0.465 167 V N 2.304 122.235 119.914 0.028 0.000 2.180 167 V HA -0.034 4.109 4.120 0.038 0.000 0.238 167 V C -1.199 174.926 176.094 0.051 0.000 1.337 167 V CA 0.369 62.692 62.300 0.039 0.000 1.338 167 V CB -2.192 29.654 31.823 0.038 0.000 1.431 167 V HN 0.430 8.638 8.190 0.030 0.000 0.498 168 D N 5.761 126.195 120.400 0.056 0.000 2.123 168 D HA 0.103 4.790 4.640 0.077 0.000 0.323 168 D C -0.713 175.642 176.300 0.093 0.000 1.075 168 D CA 0.697 54.740 54.000 0.072 0.000 0.892 168 D CB 2.519 43.358 40.800 0.065 0.000 1.716 168 D HN 0.418 8.764 8.370 0.045 0.051 0.531 169 K N 0.702 121.140 120.400 0.063 0.000 2.221 169 K HA 0.172 4.576 4.320 0.139 0.000 0.243 169 K C -0.416 176.227 176.600 0.072 0.000 0.968 169 K CA -0.660 55.654 56.287 0.045 0.000 0.846 169 K CB 1.861 34.305 32.500 -0.092 0.000 1.141 169 K HN -0.765 7.507 8.250 0.037 0.000 0.434 170 F N 0.000 119.960 119.950 0.017 0.000 2.286 170 F HA 0.000 4.535 4.527 0.013 0.000 0.279 170 F CA 0.000 58.008 58.000 0.013 0.000 1.383 170 F CB 0.000 39.008 39.000 0.013 0.000 1.145 170 F HN 0.000 8.376 8.300 0.126 0.000 0.574