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 2klj_1_A DATA FIRST_RESID 1 DATA SEQUENCE QGKITLYEDR GFQGRHYECS SDHTNLQPYL SRCNSARVDS GCWMLYEQPN DATA SEQUENCE YSGLQYFLRR GDYADHQQWM GLSDSVRSCR LIPHSGSHRI RLYEREDYRG DATA SEQUENCE QMIEFTEDCS CLQDRFRFNE IHSLNVLEGS WVLYELSNYR GRQYLLMPGD DATA SEQUENCE YRRYQDWGAT NARVGSLRRV IDFS 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 Q HA 0.000 4.347 4.340 0.012 0.000 0.214 1 Q C 0.000 176.047 176.000 0.078 0.000 1.003 1 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 1 Q CB 0.000 28.732 28.738 -0.009 0.000 1.108 2 G N 2.074 110.946 108.800 0.119 0.000 3.044 2 G HA2 -0.456 3.921 3.960 0.345 0.000 0.648 2 G HA3 -0.456 3.752 3.960 0.413 0.000 0.648 2 G C -2.420 172.779 174.900 0.498 0.000 1.620 2 G CA 0.412 45.751 45.100 0.398 0.000 1.109 2 G HN -0.041 8.295 8.290 0.076 0.000 0.587 3 K N 0.383 121.042 120.400 0.431 0.000 2.618 3 K HA 0.151 4.650 4.320 0.044 -0.153 0.322 3 K C -1.974 174.518 176.600 -0.181 0.000 1.267 3 K CA -0.143 56.183 56.287 0.064 0.000 1.083 3 K CB 1.819 34.339 32.500 0.032 0.000 1.386 3 K HN -0.069 8.519 8.250 0.565 0.000 0.509 4 I N 2.279 122.526 120.570 -0.539 0.000 2.957 4 I HA 1.144 5.303 4.170 -0.292 -0.163 0.310 4 I C -2.141 173.717 176.117 -0.433 0.000 1.063 4 I CA -2.931 58.063 61.300 -0.509 0.000 1.033 4 I CB 4.123 41.666 38.000 -0.762 0.000 1.230 4 I HN 0.187 7.925 8.210 -0.786 0.000 0.447 5 T N 5.949 120.367 114.554 -0.226 0.000 3.053 5 T HA 0.323 4.635 4.350 -0.311 -0.149 0.363 5 T C -0.284 174.386 174.700 -0.051 0.000 1.239 5 T CA -0.693 61.304 62.100 -0.172 0.000 1.071 5 T CB 0.144 68.999 68.868 -0.020 0.000 1.089 5 T HN 0.652 8.696 8.240 -0.127 0.120 0.527 6 L N 6.911 128.013 121.223 -0.203 0.000 2.410 6 L HA -0.008 4.536 4.340 0.133 -0.125 0.273 6 L C -1.334 175.545 176.870 0.014 0.000 1.144 6 L CA 0.050 54.877 54.840 -0.021 0.000 0.863 6 L CB 0.218 42.218 42.059 -0.099 0.000 1.140 6 L HN 0.762 8.748 8.230 -0.407 0.000 0.463 7 Y N 3.271 123.707 120.300 0.227 0.000 2.335 7 Y HA 0.260 5.093 4.550 0.255 -0.130 0.338 7 Y C 0.474 176.489 175.900 0.192 0.000 0.977 7 Y CA -0.835 57.404 58.100 0.233 0.000 1.114 7 Y CB 2.269 40.876 38.460 0.244 0.000 1.182 7 Y HN 1.225 9.694 8.280 0.508 0.116 0.463 8 E N 4.039 124.414 120.200 0.292 0.000 2.085 8 E HA -0.336 4.236 4.350 0.211 -0.096 0.194 8 E C -0.513 176.204 176.600 0.196 0.000 0.994 8 E CA 3.166 59.697 56.400 0.218 0.000 0.801 8 E CB 0.617 30.415 29.700 0.165 0.000 0.743 8 E HN 0.919 9.324 8.360 0.263 0.113 0.453 9 D N -3.633 116.884 120.400 0.194 0.000 2.252 9 D HA 0.326 5.007 4.640 0.068 0.000 0.245 9 D C -0.247 176.050 176.300 -0.005 0.000 1.009 9 D CA -1.241 52.812 54.000 0.089 0.000 0.870 9 D CB 2.596 43.442 40.800 0.076 0.000 1.251 9 D HN -0.674 7.852 8.370 0.270 0.007 0.460 10 R N -0.892 119.528 120.500 -0.133 0.000 3.073 10 R HA -0.346 3.807 4.340 -0.400 -0.054 0.290 10 R C 1.849 177.924 176.300 -0.376 0.000 1.130 10 R CA 0.909 56.816 56.100 -0.321 0.000 1.186 10 R CB -0.056 30.039 30.300 -0.342 0.000 1.166 10 R HN 0.190 8.396 8.270 -0.107 0.000 0.563 11 G N -1.769 106.695 108.800 -0.559 0.000 2.309 11 G HA2 -0.362 3.291 3.960 -0.512 0.000 0.286 11 G HA3 -0.362 3.451 3.960 -0.246 0.000 0.286 11 G C -0.975 173.677 174.900 -0.414 0.000 1.002 11 G CA 0.715 45.535 45.100 -0.466 0.000 0.786 11 G HN 0.471 8.283 8.290 -0.616 0.108 0.511 12 F N -6.101 113.614 119.950 -0.390 0.000 3.074 12 F HA -0.477 3.303 4.527 -1.244 0.000 0.287 12 F C -0.409 174.960 175.800 -0.719 0.000 0.932 12 F CA 0.952 58.324 58.000 -1.047 0.000 0.995 12 F CB -2.963 35.313 39.000 -1.208 0.000 0.966 12 F HN -0.188 7.398 8.300 -1.097 0.055 0.721 13 Q N -1.871 117.887 119.800 -0.069 0.000 2.823 13 Q HA 0.253 4.671 4.340 0.131 0.000 0.230 13 Q C 0.531 176.701 176.000 0.284 0.000 1.026 13 Q CA -1.872 54.001 55.803 0.116 0.000 0.940 13 Q CB 2.358 31.117 28.738 0.036 0.000 1.382 13 Q HN -0.071 7.946 8.270 -0.102 0.192 0.502 14 G N -1.532 107.389 108.800 0.202 0.000 2.598 14 G HA2 -0.440 3.606 3.960 0.143 0.000 0.269 14 G HA3 -0.440 3.772 3.960 0.172 -0.149 0.269 14 G C -0.947 174.106 174.900 0.255 0.000 1.289 14 G CA -0.061 45.154 45.100 0.192 0.000 0.926 14 G HN 0.154 8.531 8.290 0.146 0.000 0.567 15 R N 1.412 122.025 120.500 0.190 0.000 2.543 15 R HA -0.010 4.428 4.340 0.163 0.000 0.277 15 R C -0.477 175.909 176.300 0.144 0.000 1.074 15 R CA -0.171 56.018 56.100 0.149 0.000 1.076 15 R CB -0.078 30.269 30.300 0.078 0.000 0.993 15 R HN 0.197 8.559 8.270 0.153 0.000 0.459 16 H N -0.325 118.706 119.070 -0.066 0.000 2.865 16 H HA 0.932 5.443 4.556 -0.343 -0.161 0.372 16 H C -1.922 173.330 175.328 -0.126 0.000 1.173 16 H CA -1.958 53.888 56.048 -0.336 0.000 1.147 16 H CB 3.636 32.853 29.762 -0.909 0.000 1.805 16 H HN -0.039 8.190 8.280 -0.085 0.000 0.553 17 Y N 0.810 120.885 120.300 -0.376 0.000 2.479 17 Y HA 0.190 4.469 4.550 -0.452 0.000 0.338 17 Y C -2.974 172.776 175.900 -0.251 0.000 1.055 17 Y CA -1.034 56.859 58.100 -0.347 0.000 1.023 17 Y CB 3.994 42.294 38.460 -0.268 0.000 1.287 17 Y HN 0.983 9.034 8.280 -0.204 0.107 0.447 18 E N 7.380 127.255 120.200 -0.541 0.000 2.134 18 E HA 0.410 4.610 4.350 -0.607 -0.214 0.278 18 E C -1.344 174.701 176.600 -0.925 0.000 0.959 18 E CA -1.675 54.352 56.400 -0.621 0.000 0.783 18 E CB 1.884 31.455 29.700 -0.215 0.000 1.095 18 E HN 0.096 8.434 8.360 -0.037 0.000 0.399 19 C N 6.773 125.508 119.300 -0.942 0.000 2.281 19 C HA 0.338 4.620 4.460 -0.296 0.000 0.323 19 C C -0.583 174.280 174.990 -0.212 0.000 1.270 19 C CA -2.065 56.601 59.018 -0.587 0.000 1.559 19 C CB 1.120 28.460 27.740 -0.667 0.000 2.239 19 C HN 0.166 7.849 8.230 -0.911 0.000 0.488 20 S N 6.454 122.269 115.700 0.193 0.000 2.650 20 S HA 0.335 5.278 4.470 0.550 -0.143 0.240 20 S C -0.867 173.974 174.600 0.402 0.000 1.007 20 S CA -0.680 57.740 58.200 0.367 0.000 0.984 20 S CB 0.189 63.486 63.200 0.160 0.000 0.910 20 S HN 0.626 9.038 8.310 0.171 0.000 0.509 21 S N 0.678 116.670 115.700 0.487 0.000 2.643 21 S HA 0.115 4.654 4.470 0.114 0.000 0.270 21 S C -1.890 172.904 174.600 0.322 0.000 1.166 21 S CA -0.989 57.368 58.200 0.261 0.000 0.815 21 S CB 2.572 65.872 63.200 0.166 0.000 1.139 21 S HN -0.947 7.654 8.310 0.599 0.068 0.472 22 D N 0.797 121.288 120.400 0.151 0.000 2.493 22 D HA -0.167 4.598 4.640 0.207 0.000 0.240 22 D C -1.423 175.039 176.300 0.269 0.000 1.142 22 D CA 0.837 54.950 54.000 0.188 0.000 0.872 22 D CB -0.114 40.735 40.800 0.081 0.000 1.173 22 D HN 0.067 8.475 8.370 0.064 0.000 0.467 23 H N 3.251 122.548 119.070 0.378 0.000 2.806 23 H HA 0.170 4.877 4.556 0.251 0.000 0.367 23 H C -0.247 175.235 175.328 0.257 0.000 1.136 23 H CA 0.065 56.309 56.048 0.327 0.000 1.178 23 H CB 4.768 34.760 29.762 0.383 0.000 1.718 23 H HN 0.241 8.860 8.280 0.564 0.000 0.540 24 T N 0.209 114.836 114.554 0.123 0.000 2.990 24 T HA 0.045 3.943 4.350 -0.754 0.000 0.250 24 T C -0.911 173.729 174.700 -0.100 0.000 1.041 24 T CA -0.109 61.828 62.100 -0.270 0.000 1.010 24 T CB 1.219 69.885 68.868 -0.337 0.000 1.003 24 T HN 0.276 8.567 8.240 0.085 0.000 0.499 25 N N 0.342 119.127 118.700 0.141 0.000 2.549 25 N HA 0.471 5.395 4.740 -0.000 -0.184 0.281 25 N C -1.863 173.717 175.510 0.116 0.000 1.084 25 N CA -0.164 52.925 53.050 0.066 0.000 0.862 25 N CB 1.742 40.219 38.487 -0.017 0.000 1.333 25 N HN -0.411 8.188 8.380 0.365 0.000 0.523 26 L N 2.599 123.875 121.223 0.088 0.000 2.592 26 L HA 0.130 4.614 4.340 0.239 0.000 0.227 26 L C 0.975 177.809 176.870 -0.060 0.000 1.127 26 L CA -0.995 53.913 54.840 0.113 0.000 0.884 26 L CB 0.210 42.385 42.059 0.193 0.000 1.065 26 L HN 0.881 8.991 8.230 0.078 0.167 0.457 27 Q N 0.252 119.971 119.800 -0.136 0.000 2.020 27 Q HA 0.010 4.502 4.340 -0.073 -0.196 0.202 27 Q C -0.658 175.152 176.000 -0.317 0.000 0.982 27 Q CA 3.139 58.849 55.803 -0.155 0.000 0.838 27 Q CB -2.266 26.403 28.738 -0.115 0.000 0.899 27 Q HN -0.097 8.050 8.270 -0.105 0.059 0.423 28 P HA -0.116 4.046 4.420 -0.429 0.000 0.242 28 P C -1.349 175.373 177.300 -0.963 0.000 1.198 28 P CA 1.405 64.031 63.100 -0.789 0.000 0.756 28 P CB -0.346 30.787 31.700 -0.945 0.000 0.911 29 Y N -6.023 114.177 120.300 -0.166 0.000 2.619 29 Y HA 0.064 4.486 4.550 -0.214 0.000 0.273 29 Y C -0.737 175.107 175.900 -0.092 0.000 1.175 29 Y CA -0.030 57.936 58.100 -0.223 0.000 1.157 29 Y CB 1.969 40.110 38.460 -0.530 0.000 1.329 29 Y HN -0.754 7.005 8.280 -0.497 0.222 0.503 30 L N -1.441 119.824 121.223 0.070 0.000 2.385 30 L HA 0.308 4.709 4.340 0.101 0.000 0.273 30 L C -0.289 176.619 176.870 0.064 0.000 0.990 30 L CA -1.204 53.697 54.840 0.100 0.000 0.821 30 L CB 3.053 45.212 42.059 0.166 0.000 1.279 30 L HN 0.440 8.556 8.230 0.006 0.118 0.412 31 S N 2.540 118.281 115.700 0.069 0.000 2.383 31 S HA -0.241 4.247 4.470 0.030 0.000 0.227 31 S C 0.275 174.927 174.600 0.086 0.000 1.026 31 S CA 3.229 61.464 58.200 0.058 0.000 0.981 31 S CB 0.487 63.720 63.200 0.056 0.000 0.818 31 S HN 0.042 8.616 8.310 0.081 -0.216 0.472 32 R N -7.317 113.260 120.500 0.128 0.000 2.769 32 R HA 0.084 4.559 4.340 0.149 -0.046 0.191 32 R C -1.593 174.853 176.300 0.243 0.000 0.881 32 R CA 0.123 56.323 56.100 0.166 0.000 1.133 32 R CB 0.719 31.113 30.300 0.156 0.000 1.607 32 R HN -0.166 8.186 8.270 0.136 0.000 0.613 33 C N 0.710 120.165 119.300 0.257 0.000 3.756 33 C HA -0.274 4.469 4.460 0.315 -0.094 0.306 33 C C -0.906 174.386 174.990 0.504 0.000 1.131 33 C CA 0.429 59.652 59.018 0.342 0.000 2.333 33 C CB -1.125 26.793 27.740 0.297 0.000 1.414 33 C HN -0.092 8.269 8.230 0.218 0.000 0.576 34 N N 1.127 120.037 118.700 0.349 0.000 2.353 34 N HA -0.023 5.011 4.740 0.275 -0.129 0.185 34 N C -1.216 174.257 175.510 -0.061 0.000 1.098 34 N CA 0.412 53.543 53.050 0.135 0.000 0.872 34 N CB 1.165 39.622 38.487 -0.049 0.000 0.970 34 N HN -0.014 8.403 8.380 0.274 0.127 0.467 35 S N -3.422 112.438 115.700 0.268 0.000 2.556 35 S HA 0.408 4.995 4.470 0.090 -0.064 0.271 35 S C -2.621 172.381 174.600 0.668 0.000 1.135 35 S CA -1.124 57.202 58.200 0.209 0.000 0.858 35 S CB 3.677 66.638 63.200 -0.398 0.000 1.114 35 S HN -0.317 8.184 8.310 0.406 0.052 0.468 36 A N -0.113 123.211 122.820 0.840 0.000 2.547 36 A HA 0.664 5.564 4.320 0.589 -0.227 0.297 36 A C -2.363 175.624 177.584 0.672 0.000 1.056 36 A CA -0.583 51.874 52.037 0.700 0.000 0.688 36 A CB 4.218 23.470 19.000 0.421 0.000 1.282 36 A HN 1.105 9.619 8.150 0.816 0.126 0.400 37 R N 1.670 122.375 120.500 0.342 0.000 2.439 37 R HA 0.613 5.085 4.340 -0.014 -0.140 0.310 37 R C -1.353 174.925 176.300 -0.037 0.000 0.955 37 R CA -0.954 55.181 56.100 0.057 0.000 0.853 37 R CB 3.436 33.667 30.300 -0.114 0.000 1.171 37 R HN -0.162 8.274 8.270 0.276 0.000 0.449 38 V N 5.275 125.154 119.914 -0.058 0.000 2.483 38 V HA 0.082 4.138 4.120 -0.108 0.000 0.295 38 V C -0.998 175.083 176.094 -0.022 0.000 1.035 38 V CA -0.176 62.105 62.300 -0.031 0.000 0.896 38 V CB 1.494 33.381 31.823 0.106 0.000 0.986 38 V HN 0.575 8.695 8.190 -0.116 0.000 0.447 39 D N 9.033 129.427 120.400 -0.011 0.000 2.290 39 D HA -0.001 4.622 4.640 -0.029 0.000 0.224 39 D C -0.703 175.605 176.300 0.014 0.000 0.967 39 D CA 1.493 55.485 54.000 -0.013 0.000 0.893 39 D CB 1.550 42.331 40.800 -0.032 0.000 1.037 39 D HN 0.382 8.745 8.370 -0.013 0.000 0.477 40 S N -2.481 113.215 115.700 -0.006 0.000 2.333 40 S HA 0.133 4.623 4.470 0.033 0.000 0.250 40 S C -2.015 172.305 174.600 -0.467 0.000 0.959 40 S CA 0.466 58.534 58.200 -0.220 0.000 1.037 40 S CB 0.174 63.169 63.200 -0.342 0.000 1.215 40 S HN -0.268 8.067 8.310 0.041 0.000 0.410 41 G N 3.909 112.596 108.800 -0.189 0.000 2.337 41 G HA2 0.004 3.837 3.960 -0.212 0.000 0.298 41 G HA3 0.004 4.091 3.960 0.211 0.000 0.298 41 G C -2.510 172.710 174.900 0.533 0.000 1.335 41 G CA -0.072 45.111 45.100 0.137 0.000 0.875 41 G HN -0.368 8.121 8.290 0.331 0.000 0.579 42 C N -0.190 119.360 119.300 0.416 0.000 2.379 42 C HA 0.835 5.515 4.460 0.066 -0.180 0.323 42 C C -1.246 173.607 174.990 -0.228 0.000 1.262 42 C CA -1.977 57.105 59.018 0.106 0.000 1.581 42 C CB 1.300 29.174 27.740 0.224 0.000 2.221 42 C HN -0.285 8.236 8.230 0.485 0.000 0.497 43 W N 2.895 124.067 121.300 -0.213 0.000 2.844 43 W HA 0.487 5.242 4.660 -0.063 -0.133 0.340 43 W C -1.789 174.611 176.519 -0.198 0.000 1.093 43 W CA -1.536 55.723 57.345 -0.143 0.000 1.212 43 W CB 4.287 33.680 29.460 -0.112 0.000 1.422 43 W HN 1.240 9.266 8.180 -0.059 0.118 0.515 44 M N 1.656 121.346 119.600 0.150 0.000 2.321 44 M HA 0.852 5.510 4.480 -0.083 -0.227 0.315 44 M C -2.356 173.953 176.300 0.014 0.000 1.052 44 M CA -1.371 53.932 55.300 0.004 0.000 0.936 44 M CB 3.763 36.364 32.600 0.003 0.000 1.639 44 M HN 0.270 8.696 8.290 0.227 0.000 0.433 45 L N 2.453 123.501 121.223 -0.292 0.000 2.330 45 L HA 0.870 5.484 4.340 0.200 -0.154 0.271 45 L C -1.095 175.379 176.870 -0.659 0.000 1.013 45 L CA -1.994 52.729 54.840 -0.195 0.000 0.816 45 L CB 2.119 44.089 42.059 -0.148 0.000 1.287 45 L HN 0.085 8.063 8.230 -0.422 0.000 0.435 46 Y N -1.541 118.664 120.300 -0.159 0.000 2.391 46 Y HA 0.343 4.831 4.550 -0.330 -0.136 0.341 46 Y C 0.878 176.742 175.900 -0.060 0.000 0.965 46 Y CA -1.636 56.369 58.100 -0.159 0.000 1.067 46 Y CB 2.642 41.121 38.460 0.032 0.000 1.199 46 Y HN 1.046 9.431 8.280 0.365 0.114 0.450 47 E N 0.729 120.973 120.200 0.072 0.000 2.209 47 E HA -0.278 4.389 4.350 0.255 -0.164 0.196 47 E C 0.199 176.887 176.600 0.145 0.000 0.993 47 E CA 2.427 58.933 56.400 0.176 0.000 0.819 47 E CB 0.332 30.143 29.700 0.185 0.000 0.745 47 E HN 0.581 8.909 8.360 -0.052 0.000 0.477 48 Q N -4.310 115.571 119.800 0.135 0.000 2.399 48 Q HA 0.388 4.769 4.340 0.067 0.000 0.276 48 Q C -2.071 173.953 176.000 0.041 0.000 1.098 48 Q CA -3.989 51.862 55.803 0.079 0.000 0.827 48 Q CB 1.987 30.761 28.738 0.061 0.000 1.386 48 Q HN -0.705 7.632 8.270 0.171 0.035 0.443 49 P HA -0.252 4.319 4.420 -0.113 -0.219 0.273 49 P C -0.335 176.826 177.300 -0.233 0.000 1.250 49 P CA -0.120 62.911 63.100 -0.114 0.000 0.793 49 P CB 0.739 32.386 31.700 -0.090 0.000 1.011 50 N N -2.500 115.923 118.700 -0.462 0.000 2.735 50 N HA -0.461 3.772 4.740 -0.843 0.000 0.248 50 N C -1.658 173.512 175.510 -0.566 0.000 1.083 50 N CA 0.627 53.325 53.050 -0.587 0.000 0.703 50 N CB -1.080 37.252 38.487 -0.259 0.000 1.005 50 N HN 0.238 8.210 8.380 -0.479 0.121 0.550 51 Y N -7.509 112.571 120.300 -0.367 0.000 2.976 51 Y HA -0.391 3.289 4.550 -1.450 0.000 0.184 51 Y C -0.868 174.872 175.900 -0.266 0.000 1.493 51 Y CA 0.318 57.954 58.100 -0.772 0.000 0.851 51 Y CB -3.355 34.599 38.460 -0.843 0.000 1.355 51 Y HN -0.771 6.808 8.280 -1.147 0.012 0.382 52 S N 1.521 117.250 115.700 0.048 0.000 2.706 52 S HA 0.101 4.652 4.470 0.136 0.000 0.270 52 S C -0.893 173.802 174.600 0.159 0.000 1.163 52 S CA -0.053 58.213 58.200 0.110 0.000 1.042 52 S CB 1.620 64.842 63.200 0.037 0.000 1.079 52 S HN -0.530 7.816 8.310 0.059 0.000 0.474 53 G N 4.115 113.026 108.800 0.185 0.000 2.293 53 G HA2 -0.170 3.854 3.960 0.106 0.000 0.282 53 G HA3 -0.170 4.055 3.960 0.126 -0.189 0.282 53 G C -2.550 172.412 174.900 0.104 0.000 1.299 53 G CA -0.381 44.799 45.100 0.134 0.000 1.018 53 G HN -0.328 8.084 8.290 0.202 0.000 0.478 54 L N 1.935 123.192 121.223 0.057 0.000 2.367 54 L HA 0.182 4.510 4.340 -0.020 0.000 0.275 54 L C -1.093 175.640 176.870 -0.227 0.000 1.129 54 L CA -0.226 54.612 54.840 -0.003 0.000 0.839 54 L CB 0.759 42.876 42.059 0.095 0.000 1.133 54 L HN -0.044 8.393 8.230 0.082 -0.158 0.453 55 Q N 3.342 122.881 119.800 -0.434 0.000 2.572 55 Q HA 0.624 4.149 4.340 -1.524 -0.100 0.284 55 Q C -1.428 174.111 176.000 -0.767 0.000 1.091 55 Q CA -2.227 52.961 55.803 -1.026 0.000 0.840 55 Q CB 3.643 31.653 28.738 -1.212 0.000 1.433 55 Q HN -0.129 7.983 8.270 -0.263 0.000 0.471 56 Y N -4.723 115.457 120.300 -0.199 0.000 2.396 56 Y HA 0.231 4.794 4.550 0.021 0.000 0.332 56 Y C -1.783 174.078 175.900 -0.065 0.000 1.034 56 Y CA -1.846 56.221 58.100 -0.055 0.000 1.057 56 Y CB 2.114 40.609 38.460 0.059 0.000 1.220 56 Y HN 0.042 7.658 8.280 -1.106 0.000 0.440 57 F N 5.168 125.128 119.950 0.017 0.000 2.438 57 F HA 0.220 4.839 4.527 -0.038 -0.114 0.356 57 F C -1.203 174.629 175.800 0.054 0.000 1.099 57 F CA 0.315 58.315 58.000 0.000 0.000 1.185 57 F CB 0.862 39.858 39.000 -0.006 0.000 1.115 57 F HN 0.274 8.771 8.300 0.328 0.000 0.526 58 L N 7.889 128.729 121.223 -0.638 0.000 2.365 58 L HA 0.274 4.482 4.340 -0.220 0.000 0.273 58 L C -1.718 174.906 176.870 -0.410 0.000 1.000 58 L CA -0.611 54.011 54.840 -0.363 0.000 0.819 58 L CB 3.887 45.856 42.059 -0.149 0.000 1.284 58 L HN 1.053 8.749 8.230 -0.721 0.102 0.418 59 R N 0.215 120.707 120.500 -0.012 0.000 2.837 59 R HA 0.684 5.270 4.340 0.116 -0.177 0.271 59 R C -1.343 175.114 176.300 0.261 0.000 0.993 59 R CA -2.415 53.751 56.100 0.110 0.000 0.931 59 R CB 4.775 35.138 30.300 0.105 0.000 1.206 59 R HN -0.261 8.142 8.270 0.222 0.000 0.474 60 R N 1.093 121.757 120.500 0.273 0.000 2.870 60 R HA -0.461 3.983 4.340 0.175 0.000 0.283 60 R C -0.493 175.853 176.300 0.076 0.000 0.805 60 R CA 1.840 58.060 56.100 0.200 0.000 1.110 60 R CB -0.247 30.216 30.300 0.272 0.000 0.900 60 R HN 0.084 8.575 8.270 0.367 0.000 0.406 61 G N 4.666 113.420 108.800 -0.076 0.000 2.321 61 G HA2 -0.165 3.698 3.960 -0.162 0.000 0.298 61 G HA3 -0.165 3.631 3.960 -0.273 0.000 0.298 61 G C -3.160 171.390 174.900 -0.583 0.000 1.385 61 G CA -0.584 44.352 45.100 -0.273 0.000 0.856 61 G HN -0.466 7.782 8.290 -0.069 0.000 0.584 62 D N -0.517 119.558 120.400 -0.542 0.000 2.256 62 D HA 0.261 4.711 4.640 -0.317 0.000 0.240 62 D C -1.427 174.684 176.300 -0.316 0.000 1.062 62 D CA -1.060 52.724 54.000 -0.359 0.000 0.832 62 D CB 1.501 42.222 40.800 -0.132 0.000 1.135 62 D HN -0.008 8.138 8.370 -0.372 0.000 0.484 63 Y N 1.260 121.842 120.300 0.470 0.000 2.376 63 Y HA 0.193 5.055 4.550 0.131 -0.234 0.326 63 Y C -0.494 175.363 175.900 -0.071 0.000 0.970 63 Y CA -1.813 56.449 58.100 0.270 0.000 1.248 63 Y CB 0.534 39.266 38.460 0.453 0.000 1.117 63 Y HN 0.709 9.115 8.280 0.363 0.092 0.476 64 A N 1.902 124.556 122.820 -0.276 0.000 2.251 64 A HA 0.013 2.978 4.320 -2.259 0.000 0.209 64 A C -1.967 175.215 177.584 -0.670 0.000 1.187 64 A CA 0.199 51.645 52.037 -0.985 0.000 0.823 64 A CB 1.134 19.788 19.000 -0.578 0.000 0.846 64 A HN 0.009 8.390 8.150 -0.045 -0.258 0.486 65 D N -4.723 115.353 120.400 -0.541 0.000 2.599 65 D HA 0.341 4.590 4.640 -0.822 -0.102 0.252 65 D C -0.074 175.575 176.300 -1.084 0.000 1.232 65 D CA -0.969 52.578 54.000 -0.755 0.000 0.819 65 D CB 4.050 44.495 40.800 -0.592 0.000 1.401 65 D HN -0.786 7.282 8.370 -0.384 0.072 0.429 66 H N -0.529 117.974 119.070 -0.945 0.000 2.428 66 H HA -0.281 2.205 4.556 -3.449 0.000 0.296 66 H C 1.500 175.988 175.328 -1.401 0.000 1.062 66 H CA 3.095 58.146 56.048 -1.662 0.000 1.350 66 H CB 0.269 29.583 29.762 -0.748 0.000 1.403 66 H HN 0.444 7.369 8.280 -2.257 0.000 0.533 67 Q N -1.295 118.214 119.800 -0.485 0.000 2.226 67 Q HA -0.298 3.998 4.340 -0.287 -0.128 0.204 67 Q C 2.545 178.334 176.000 -0.351 0.000 0.975 67 Q CA 2.765 58.375 55.803 -0.321 0.000 0.866 67 Q CB -1.586 27.061 28.738 -0.152 0.000 0.915 67 Q HN 0.401 8.449 8.270 -0.339 0.018 0.440 68 Q N -0.843 118.707 119.800 -0.417 0.000 2.084 68 Q HA -0.250 4.052 4.340 -0.063 0.000 0.202 68 Q C 1.066 176.983 176.000 -0.138 0.000 0.978 68 Q CA 2.330 58.038 55.803 -0.159 0.000 0.844 68 Q CB -0.134 28.636 28.738 0.053 0.000 0.898 68 Q HN -0.424 7.377 8.270 -0.554 0.137 0.426 69 W N -5.165 115.965 121.300 -0.282 0.000 3.391 69 W HA 0.146 4.552 4.660 -0.423 0.000 0.372 69 W C -0.796 175.615 176.519 -0.181 0.000 1.171 69 W CA -2.305 54.792 57.345 -0.415 0.000 1.862 69 W CB -0.555 28.513 29.460 -0.653 0.000 1.048 69 W HN -0.744 6.892 8.180 -0.908 0.000 0.726 70 M N -5.230 114.336 119.600 -0.056 0.000 2.939 70 M HA -0.443 4.010 4.480 -0.044 0.000 0.194 70 M C 0.180 176.426 176.300 -0.090 0.000 0.617 70 M CA 1.173 56.474 55.300 0.002 0.000 0.734 70 M CB -2.393 30.295 32.600 0.147 0.000 2.637 70 M HN -0.519 7.459 8.290 -0.178 0.205 0.316 71 G N -1.870 106.697 108.800 -0.388 0.000 2.195 71 G HA2 -0.179 3.146 3.960 -1.058 0.000 0.264 71 G HA3 -0.179 3.442 3.960 -0.677 -0.067 0.264 71 G C -0.006 174.650 174.900 -0.406 0.000 1.148 71 G CA 0.223 44.962 45.100 -0.602 0.000 1.023 71 G HN -0.118 7.639 8.290 -0.790 0.059 0.429 72 L N 2.281 123.327 121.223 -0.295 0.000 2.095 72 L HA -0.114 4.148 4.340 -0.129 0.000 0.204 72 L C 0.721 177.494 176.870 -0.162 0.000 1.080 72 L CA 1.783 56.545 54.840 -0.130 0.000 0.759 72 L CB 0.357 42.428 42.059 0.020 0.000 0.914 72 L HN -0.391 7.611 8.230 -0.380 0.000 0.439 73 S N -3.479 112.146 115.700 -0.126 0.000 2.532 73 S HA 0.038 4.405 4.470 -0.171 0.000 0.299 73 S C -0.919 173.643 174.600 -0.063 0.000 1.105 73 S CA -1.495 56.655 58.200 -0.085 0.000 1.018 73 S CB 1.982 65.219 63.200 0.062 0.000 1.021 73 S HN -0.795 7.446 8.310 -0.114 0.000 0.483 74 D N 6.103 126.409 120.400 -0.157 0.000 2.338 74 D HA -0.050 4.684 4.640 0.156 0.000 0.239 74 D C -0.164 176.226 176.300 0.150 0.000 1.095 74 D CA -0.335 53.677 54.000 0.021 0.000 0.888 74 D CB -0.442 40.340 40.800 -0.030 0.000 0.899 74 D HN 0.523 8.739 8.370 -0.256 0.000 0.525 75 S N 0.972 116.757 115.700 0.142 0.000 3.812 75 S HA 0.109 4.656 4.470 0.129 0.000 0.195 75 S C -0.834 173.894 174.600 0.215 0.000 1.460 75 S CA -1.427 56.864 58.200 0.150 0.000 1.052 75 S CB -1.255 62.010 63.200 0.109 0.000 1.385 75 S HN -0.576 7.669 8.310 0.113 0.132 0.490 76 V N 2.652 122.721 119.914 0.259 0.000 2.368 76 V HA -0.024 4.423 4.120 0.294 -0.151 0.266 76 V C -0.313 175.896 176.094 0.191 0.000 1.045 76 V CA 0.099 62.567 62.300 0.280 0.000 0.899 76 V CB -0.792 31.242 31.823 0.352 0.000 1.006 76 V HN -0.487 7.785 8.190 0.255 0.071 0.470 77 R N 3.576 124.170 120.500 0.158 0.000 2.437 77 R HA 0.262 4.657 4.340 0.092 0.000 0.257 77 R C -0.347 176.018 176.300 0.107 0.000 0.927 77 R CA -0.551 55.611 56.100 0.104 0.000 1.078 77 R CB 1.827 32.163 30.300 0.059 0.000 1.161 77 R HN 0.220 8.591 8.270 0.169 0.000 0.529 78 S N -1.234 114.572 115.700 0.177 0.000 2.533 78 S HA 0.490 5.066 4.470 0.177 0.000 0.271 78 S C -2.481 172.368 174.600 0.414 0.000 1.143 78 S CA -0.769 57.552 58.200 0.202 0.000 0.891 78 S CB 2.557 65.748 63.200 -0.016 0.000 1.105 78 S HN -0.340 8.097 8.310 0.212 0.000 0.468 79 C N 4.366 123.967 119.300 0.502 0.000 2.985 79 C HA 0.980 6.008 4.460 0.620 -0.196 0.332 79 C C -2.434 172.943 174.990 0.645 0.000 1.164 79 C CA -1.730 57.620 59.018 0.554 0.000 1.347 79 C CB 3.705 31.652 27.740 0.346 0.000 1.764 79 C HN 0.286 8.802 8.230 0.477 0.000 0.489 80 R N 3.935 124.755 120.500 0.534 0.000 2.855 80 R HA 0.354 4.915 4.340 0.368 0.000 0.266 80 R C -2.987 173.299 176.300 -0.024 0.000 1.034 80 R CA -1.532 54.727 56.100 0.265 0.000 0.944 80 R CB 2.952 33.169 30.300 -0.138 0.000 1.219 80 R HN 0.739 9.320 8.270 0.519 0.000 0.474 81 L N 1.729 122.681 121.223 -0.453 0.000 2.307 81 L HA 0.344 3.713 4.340 -1.618 0.000 0.284 81 L C -0.680 175.835 176.870 -0.591 0.000 1.023 81 L CA -0.804 53.401 54.840 -1.058 0.000 0.810 81 L CB 1.863 43.203 42.059 -1.198 0.000 1.231 81 L HN 0.176 8.244 8.230 -0.271 0.000 0.423 82 I N 6.474 126.710 120.570 -0.558 0.000 2.291 82 I HA 0.284 4.293 4.170 -0.268 0.000 0.290 82 I C -1.838 173.980 176.117 -0.498 0.000 1.050 82 I CA -2.868 58.223 61.300 -0.350 0.000 1.245 82 I CB -0.558 37.349 38.000 -0.154 0.000 1.405 82 I HN 0.224 8.019 8.210 -0.691 0.000 0.478 83 P HA 0.007 4.097 4.420 -0.551 0.000 0.269 83 P C -1.072 175.962 177.300 -0.443 0.000 1.211 83 P CA -0.092 62.748 63.100 -0.433 0.000 0.781 83 P CB 0.748 32.336 31.700 -0.186 0.000 0.877 84 H N -1.733 117.349 119.070 0.019 0.000 3.463 84 H HA 0.257 4.849 4.556 0.060 0.000 0.213 84 H C 0.160 175.563 175.328 0.125 0.000 1.629 84 H CA -0.725 55.377 56.048 0.089 0.000 1.681 84 H CB 3.391 33.253 29.762 0.167 0.000 1.239 84 H HN -0.103 8.026 8.280 -0.253 0.000 0.948 85 S N -3.339 112.589 115.700 0.379 0.000 2.697 85 S HA -0.057 4.520 4.470 0.179 0.000 0.313 85 S C -0.010 174.690 174.600 0.167 0.000 0.954 85 S CA 0.097 58.451 58.200 0.256 0.000 0.831 85 S CB 2.429 65.788 63.200 0.265 0.000 1.030 85 S HN 0.199 8.805 8.310 0.493 0.000 0.466 86 G N 3.574 112.402 108.800 0.046 0.000 2.631 86 G HA2 -0.273 3.594 3.960 -0.026 0.000 0.219 86 G HA3 -0.273 3.666 3.960 -0.036 0.000 0.219 86 G C -0.212 174.505 174.900 -0.305 0.000 1.214 86 G CA 1.682 46.745 45.100 -0.063 0.000 0.785 86 G HN 0.456 8.788 8.290 0.069 0.000 0.596 87 S N 0.757 116.306 115.700 -0.250 0.000 2.672 87 S HA 0.064 4.277 4.470 -0.429 0.000 0.276 87 S C -1.702 172.676 174.600 -0.370 0.000 1.207 87 S CA 0.445 58.449 58.200 -0.327 0.000 1.002 87 S CB 2.464 65.615 63.200 -0.081 0.000 0.998 87 S HN -0.647 7.603 8.310 -0.101 0.000 0.542 88 H N -0.396 118.748 119.070 0.124 0.000 2.744 88 H HA 0.306 5.003 4.556 0.236 0.000 0.339 88 H C -1.611 173.984 175.328 0.445 0.000 1.004 88 H CA -1.319 54.861 56.048 0.220 0.000 1.257 88 H CB 2.893 32.643 29.762 -0.019 0.000 1.552 88 H HN 0.307 8.536 8.280 -0.086 0.000 0.522 89 R N 5.177 126.093 120.500 0.693 0.000 2.535 89 R HA 0.650 5.447 4.340 0.428 -0.200 0.274 89 R C -2.824 173.587 176.300 0.186 0.000 1.090 89 R CA -0.422 55.929 56.100 0.418 0.000 0.930 89 R CB 3.696 34.121 30.300 0.208 0.000 1.223 89 R HN 0.442 9.145 8.270 0.721 0.000 0.441 90 I N 3.893 124.327 120.570 -0.226 0.000 2.722 90 I HA 0.641 4.816 4.170 -0.236 -0.146 0.295 90 I C -3.039 172.911 176.117 -0.277 0.000 1.161 90 I CA -2.163 58.855 61.300 -0.469 0.000 1.032 90 I CB 4.802 41.971 38.000 -1.386 0.000 1.244 90 I HN 0.751 8.841 8.210 -0.202 0.000 0.421 91 R N 6.944 127.361 120.500 -0.139 0.000 2.310 91 R HA 0.391 4.742 4.340 -0.200 -0.131 0.316 91 R C -0.568 175.703 176.300 -0.048 0.000 1.004 91 R CA -1.848 54.180 56.100 -0.120 0.000 0.900 91 R CB 0.529 30.791 30.300 -0.065 0.000 1.152 91 R HN 0.432 8.544 8.270 -0.081 0.109 0.513 92 L N 4.025 125.228 121.223 -0.034 0.000 2.371 92 L HA 0.137 4.690 4.340 0.195 -0.096 0.272 92 L C -1.172 175.721 176.870 0.037 0.000 1.124 92 L CA -0.154 54.755 54.840 0.116 0.000 0.816 92 L CB 0.724 42.899 42.059 0.193 0.000 1.129 92 L HN -0.084 8.137 8.230 -0.014 0.000 0.448 93 Y N 0.208 120.676 120.300 0.280 0.000 2.409 93 Y HA 0.441 5.288 4.550 0.209 -0.171 0.343 93 Y C 0.358 176.375 175.900 0.194 0.000 0.973 93 Y CA -1.204 57.033 58.100 0.229 0.000 1.064 93 Y CB 2.838 41.424 38.460 0.209 0.000 1.207 93 Y HN 0.978 9.476 8.280 0.524 0.096 0.452 94 E N 3.568 123.806 120.200 0.064 0.000 2.000 94 E HA -0.378 4.007 4.350 -0.139 -0.119 0.199 94 E C 0.259 176.862 176.600 0.005 0.000 1.011 94 E CA 3.392 59.637 56.400 -0.257 0.000 0.836 94 E CB 0.878 30.035 29.700 -0.904 0.000 0.778 94 E HN 0.573 8.799 8.360 -0.043 0.108 0.462 95 R N -3.518 116.946 120.500 -0.059 0.000 2.606 95 R HA 0.099 4.326 4.340 -0.189 0.000 0.249 95 R C -0.645 175.652 176.300 -0.006 0.000 1.127 95 R CA -1.038 55.008 56.100 -0.090 0.000 1.133 95 R CB 0.923 31.134 30.300 -0.149 0.000 1.243 95 R HN -0.165 8.052 8.270 -0.087 0.000 0.558 96 E N -0.503 119.671 120.200 -0.042 0.000 2.438 96 E HA -0.252 4.445 4.350 -0.022 -0.360 0.261 96 E C -0.260 176.196 176.600 -0.240 0.000 1.103 96 E CA 1.653 58.009 56.400 -0.074 0.000 0.959 96 E CB 0.297 29.967 29.700 -0.050 0.000 0.958 96 E HN 0.195 8.498 8.360 -0.094 0.000 0.447 97 D N -1.164 118.965 120.400 -0.452 0.000 4.100 97 D HA -0.362 3.630 4.640 -1.079 0.000 0.138 97 D C -0.667 174.729 176.300 -1.507 0.000 0.819 97 D CA 2.991 56.473 54.000 -0.862 0.000 1.117 97 D CB -0.691 39.885 40.800 -0.373 0.000 0.537 97 D HN 0.455 8.478 8.370 -0.373 0.123 0.539 98 Y N -2.639 117.529 120.300 -0.221 0.000 2.994 98 Y HA 0.106 4.401 4.550 -0.425 0.000 0.245 98 Y C -0.841 175.035 175.900 -0.039 0.000 0.902 98 Y CA -0.553 57.358 58.100 -0.314 0.000 1.129 98 Y CB 0.051 38.215 38.460 -0.494 0.000 1.224 98 Y HN -0.081 8.039 8.280 -0.266 0.000 0.649 99 R N -1.208 119.324 120.500 0.053 0.000 2.335 99 R HA 0.206 4.593 4.340 0.078 0.000 0.210 99 R C 0.766 177.093 176.300 0.045 0.000 0.892 99 R CA -0.188 55.943 56.100 0.051 0.000 1.048 99 R CB 1.052 31.351 30.300 -0.002 0.000 1.067 99 R HN -0.690 7.562 8.270 -0.029 0.000 0.524 100 G N -1.215 107.617 108.800 0.053 0.000 2.568 100 G HA2 0.184 4.109 3.960 -0.059 0.000 0.293 100 G HA3 0.184 4.088 3.960 -0.094 0.000 0.293 100 G C -0.902 174.002 174.900 0.007 0.000 1.347 100 G CA -1.247 43.837 45.100 -0.027 0.000 1.039 100 G HN -0.484 7.856 8.290 0.083 0.000 0.523 101 Q N -1.304 118.395 119.800 -0.168 0.000 2.392 101 Q HA -0.025 4.307 4.340 -0.013 0.000 0.262 101 Q C -0.944 175.028 176.000 -0.046 0.000 1.003 101 Q CA 0.409 56.144 55.803 -0.114 0.000 0.888 101 Q CB 1.176 29.810 28.738 -0.173 0.000 1.260 101 Q HN -0.206 8.185 8.270 -0.318 -0.311 0.435 102 M N 4.219 123.811 119.600 -0.013 0.000 2.393 102 M HA 0.848 5.402 4.480 -0.214 -0.202 0.299 102 M C -1.407 174.844 176.300 -0.082 0.000 1.103 102 M CA -1.900 53.279 55.300 -0.202 0.000 0.910 102 M CB 3.283 35.545 32.600 -0.563 0.000 1.659 102 M HN 0.024 8.323 8.290 0.016 0.000 0.445 103 I N 3.799 124.315 120.570 -0.091 0.000 2.582 103 I HA 0.399 4.436 4.170 -0.222 0.000 0.292 103 I C -2.894 172.900 176.117 -0.538 0.000 1.066 103 I CA -1.512 59.650 61.300 -0.230 0.000 1.053 103 I CB 4.028 41.975 38.000 -0.088 0.000 1.241 103 I HN 0.384 8.547 8.210 -0.079 0.000 0.421 104 E N 7.363 127.166 120.200 -0.661 0.000 2.222 104 E HA 0.582 4.830 4.350 -0.482 -0.187 0.272 104 E C -1.298 174.663 176.600 -1.065 0.000 0.982 104 E CA -1.603 54.411 56.400 -0.642 0.000 0.842 104 E CB 2.533 32.042 29.700 -0.318 0.000 1.144 104 E HN 0.090 8.139 8.360 -0.519 0.000 0.397 105 F N 2.592 122.425 119.950 -0.194 0.000 2.547 105 F HA 0.343 4.861 4.527 -0.016 0.000 0.316 105 F C -0.552 175.304 175.800 0.094 0.000 1.121 105 F CA -0.720 57.217 58.000 -0.105 0.000 0.911 105 F CB 2.932 41.797 39.000 -0.225 0.000 1.179 105 F HN 0.803 8.941 8.300 -0.269 0.000 0.443 106 T N -2.501 112.309 114.554 0.426 0.000 3.170 106 T HA 0.221 5.148 4.350 0.674 -0.172 0.288 106 T C -0.667 174.297 174.700 0.441 0.000 0.992 106 T CA -1.632 60.756 62.100 0.479 0.000 0.909 106 T CB 1.091 70.103 68.868 0.240 0.000 1.133 106 T HN 0.454 8.899 8.240 0.342 0.000 0.530 107 E N -0.499 119.983 120.200 0.470 0.000 2.435 107 E HA 0.164 4.621 4.350 0.178 0.000 0.272 107 E C -1.882 174.870 176.600 0.254 0.000 1.031 107 E CA -1.787 54.770 56.400 0.263 0.000 0.872 107 E CB 1.837 31.646 29.700 0.182 0.000 1.588 107 E HN -0.519 8.142 8.360 0.598 0.057 0.460 108 D N -1.699 118.779 120.400 0.130 0.000 2.424 108 D HA -0.107 4.603 4.640 0.116 0.000 0.244 108 D C -0.202 176.175 176.300 0.129 0.000 1.134 108 D CA 0.101 54.172 54.000 0.119 0.000 0.881 108 D CB 0.001 40.852 40.800 0.085 0.000 1.191 108 D HN 0.159 8.586 8.370 0.095 0.000 0.445 109 C N 4.954 124.324 119.300 0.118 0.000 2.621 109 C HA 0.283 4.761 4.460 0.030 0.000 0.272 109 C C 0.173 175.179 174.990 0.027 0.000 1.119 109 C CA -1.173 57.857 59.018 0.019 0.000 1.593 109 C CB -0.405 27.218 27.740 -0.194 0.000 1.749 109 C HN 0.616 8.849 8.230 0.162 0.095 0.420 110 S N 1.053 116.724 115.700 -0.049 0.000 2.650 110 S HA -0.071 4.180 4.470 -0.366 0.000 0.219 110 S C -0.787 173.703 174.600 -0.184 0.000 0.960 110 S CA 1.694 59.742 58.200 -0.253 0.000 0.925 110 S CB -0.215 62.761 63.200 -0.374 0.000 0.775 110 S HN 0.714 9.003 8.310 -0.036 0.000 0.525 111 C N -1.026 118.222 119.300 -0.087 0.000 3.166 111 C HA 0.354 4.786 4.460 -0.047 0.000 0.277 111 C C -0.890 174.090 174.990 -0.017 0.000 0.984 111 C CA -1.704 57.284 59.018 -0.049 0.000 1.142 111 C CB 0.598 28.313 27.740 -0.042 0.000 1.721 111 C HN -0.515 7.573 8.230 -0.066 0.103 0.628 112 L N 4.905 126.096 121.223 -0.052 0.000 2.042 112 L HA -0.475 3.774 4.340 -0.152 0.000 0.210 112 L C 1.293 178.273 176.870 0.182 0.000 1.076 112 L CA 3.876 58.650 54.840 -0.109 0.000 0.749 112 L CB 0.077 41.864 42.059 -0.454 0.000 0.893 112 L HN 0.183 8.376 8.230 -0.061 0.000 0.432 113 Q N -4.023 115.905 119.800 0.215 0.000 2.458 113 Q HA -0.314 4.282 4.340 0.230 -0.118 0.215 113 Q C 1.246 177.317 176.000 0.119 0.000 0.989 113 Q CA 2.509 58.423 55.803 0.186 0.000 0.895 113 Q CB -1.026 27.768 28.738 0.093 0.000 0.934 113 Q HN 0.015 8.378 8.270 0.154 0.000 0.475 114 D N -3.430 117.034 120.400 0.108 0.000 2.327 114 D HA 0.055 4.728 4.640 0.055 0.000 0.205 114 D C 0.948 177.309 176.300 0.102 0.000 0.989 114 D CA 1.667 55.712 54.000 0.076 0.000 0.873 114 D CB 0.590 41.420 40.800 0.049 0.000 0.955 114 D HN -0.503 7.707 8.370 0.104 0.222 0.515 115 R N -2.319 118.279 120.500 0.163 0.000 2.123 115 R HA 0.173 4.594 4.340 0.135 0.000 0.209 115 R C 0.354 176.798 176.300 0.240 0.000 1.078 115 R CA 0.259 56.477 56.100 0.196 0.000 1.028 115 R CB 1.885 32.369 30.300 0.307 0.000 0.939 115 R HN 0.282 8.510 8.270 0.178 0.148 0.463 116 F N -1.529 118.385 119.950 -0.060 0.000 2.551 116 F HA 0.364 4.761 4.527 -0.217 0.000 0.316 116 F C -1.422 174.141 175.800 -0.394 0.000 1.089 116 F CA -3.632 54.203 58.000 -0.274 0.000 0.915 116 F CB 1.755 40.537 39.000 -0.363 0.000 1.186 116 F HN -0.206 8.445 8.300 0.586 0.000 0.456 117 R N 3.870 123.944 120.500 -0.711 0.000 2.082 117 R HA -0.206 3.913 4.340 -0.369 0.000 0.218 117 R C -0.331 175.387 176.300 -0.970 0.000 1.171 117 R CA 1.510 57.262 56.100 -0.580 0.000 0.914 117 R CB -0.036 30.159 30.300 -0.175 0.000 0.806 117 R HN 0.225 8.198 8.270 -0.495 0.000 0.453 118 F N -3.454 116.169 119.950 -0.544 0.000 2.623 118 F HA -0.093 4.255 4.527 -0.299 0.000 0.381 118 F C -0.406 174.896 175.800 -0.830 0.000 1.081 118 F CA 0.215 57.929 58.000 -0.475 0.000 1.293 118 F CB -0.369 38.488 39.000 -0.238 0.000 1.006 118 F HN -0.479 7.717 8.300 -0.173 0.000 0.578 119 N N 0.171 118.715 118.700 -0.260 0.000 2.280 119 N HA -0.096 4.579 4.740 -0.108 0.000 0.192 119 N C -0.835 174.814 175.510 0.232 0.000 1.109 119 N CA 0.351 53.368 53.050 -0.055 0.000 0.855 119 N CB 0.778 39.279 38.487 0.023 0.000 0.974 119 N HN 0.332 8.668 8.380 -0.073 0.000 0.482 120 E N -0.124 120.262 120.200 0.310 0.000 2.114 120 E HA 0.255 4.921 4.350 0.291 -0.142 0.266 120 E C -1.725 175.224 176.600 0.581 0.000 0.896 120 E CA -1.240 55.393 56.400 0.389 0.000 0.750 120 E CB 1.137 31.048 29.700 0.352 0.000 1.121 120 E HN -0.250 8.219 8.360 0.299 0.070 0.413 121 I N 5.035 125.894 120.570 0.482 0.000 2.307 121 I HA 0.092 4.760 4.170 0.585 -0.147 0.289 121 I C -1.054 175.320 176.117 0.428 0.000 1.021 121 I CA -2.326 59.277 61.300 0.504 0.000 1.224 121 I CB -0.391 37.827 38.000 0.364 0.000 1.376 121 I HN -0.249 8.159 8.210 0.330 0.000 0.470 122 H N 7.075 126.334 119.070 0.316 0.000 2.502 122 H HA 0.257 5.036 4.556 0.279 -0.056 0.268 122 H C -1.573 173.882 175.328 0.211 0.000 1.177 122 H CA -1.264 54.929 56.048 0.243 0.000 0.961 122 H CB 0.692 30.524 29.762 0.117 0.000 1.737 122 H HN 0.223 8.743 8.280 0.568 0.101 0.569 123 S N -2.817 113.156 115.700 0.456 0.000 2.858 123 S HA 0.055 4.840 4.470 0.391 -0.080 0.286 123 S C -2.343 172.575 174.600 0.529 0.000 0.807 123 S CA 0.413 58.841 58.200 0.379 0.000 0.800 123 S CB 1.544 64.770 63.200 0.042 0.000 1.005 123 S HN -0.093 8.511 8.310 0.600 0.066 0.520 124 L N -1.635 119.912 121.223 0.541 0.000 2.582 124 L HA 0.788 5.681 4.340 0.613 -0.185 0.257 124 L C -2.375 174.790 176.870 0.492 0.000 0.974 124 L CA -0.422 54.689 54.840 0.451 0.000 0.851 124 L CB 3.635 45.735 42.059 0.068 0.000 1.424 124 L HN -0.148 8.435 8.230 0.589 0.000 0.412 125 N N 0.390 119.325 118.700 0.391 0.000 2.573 125 N HA 0.390 5.490 4.740 0.400 -0.121 0.262 125 N C -0.865 174.745 175.510 0.166 0.000 1.029 125 N CA -0.298 52.948 53.050 0.326 0.000 0.882 125 N CB 2.521 41.191 38.487 0.304 0.000 1.204 125 N HN 0.421 8.877 8.380 0.332 0.124 0.519 126 V N 7.513 127.544 119.914 0.195 0.000 2.353 126 V HA -0.052 4.071 4.120 0.006 0.000 0.264 126 V C -0.849 175.355 176.094 0.183 0.000 1.049 126 V CA 0.442 62.823 62.300 0.136 0.000 0.896 126 V CB -0.400 31.545 31.823 0.204 0.000 1.025 126 V HN 0.019 8.408 8.190 0.332 0.000 0.475 127 L N 7.142 128.465 121.223 0.166 0.000 2.084 127 L HA -0.073 4.346 4.340 0.132 0.000 0.202 127 L C 1.138 178.122 176.870 0.190 0.000 1.074 127 L CA 1.330 56.263 54.840 0.155 0.000 0.757 127 L CB -0.954 41.179 42.059 0.124 0.000 0.918 127 L HN -0.124 8.190 8.230 0.140 0.000 0.444 128 E N -2.263 118.101 120.200 0.273 0.000 4.019 128 E HA -0.105 4.367 4.350 0.203 0.000 0.547 128 E C 0.133 176.898 176.600 0.275 0.000 0.480 128 E CA 0.073 56.642 56.400 0.280 0.000 3.361 128 E CB 0.689 30.610 29.700 0.368 0.000 2.299 128 E HN -0.979 7.578 8.360 0.329 0.000 0.456 129 G N -2.108 106.859 108.800 0.279 0.000 2.519 129 G HA2 -0.098 4.005 3.960 0.128 0.000 0.161 129 G HA3 -0.098 3.929 3.960 0.112 0.000 0.161 129 G C -1.613 173.387 174.900 0.166 0.000 1.671 129 G CA 0.430 45.626 45.100 0.160 0.000 1.028 129 G HN 0.044 8.551 8.290 0.362 0.000 0.486 130 S N -1.700 114.018 115.700 0.030 0.000 2.634 130 S HA 0.451 5.191 4.470 0.300 -0.090 0.296 130 S C -1.436 173.106 174.600 -0.097 0.000 1.104 130 S CA -1.690 56.572 58.200 0.102 0.000 0.920 130 S CB 3.032 66.245 63.200 0.022 0.000 1.111 130 S HN -0.383 7.876 8.310 -0.085 0.000 0.493 131 W N -3.214 117.989 121.300 -0.162 0.000 3.055 131 W HA 0.607 5.242 4.660 -0.235 -0.116 0.340 131 W C -1.134 175.177 176.519 -0.346 0.000 1.180 131 W CA -0.886 56.315 57.345 -0.241 0.000 1.077 131 W CB 3.878 33.202 29.460 -0.228 0.000 1.479 131 W HN 0.238 8.576 8.180 0.263 0.000 0.593 132 V N -1.016 118.790 119.914 -0.179 0.000 2.686 132 V HA 0.691 4.735 4.120 -0.438 -0.187 0.306 132 V C -1.478 174.289 176.094 -0.546 0.000 1.065 132 V CA -1.424 60.588 62.300 -0.479 0.000 0.894 132 V CB 3.490 34.857 31.823 -0.761 0.000 1.004 132 V HN 0.746 8.897 8.190 -0.064 0.000 0.424 133 L N 4.460 125.335 121.223 -0.580 0.000 2.325 133 L HA 0.573 4.850 4.340 -0.335 -0.138 0.278 133 L C -0.962 175.612 176.870 -0.493 0.000 1.023 133 L CA -1.249 53.329 54.840 -0.438 0.000 0.811 133 L CB 1.645 43.470 42.059 -0.390 0.000 1.249 133 L HN 0.239 8.053 8.230 -0.513 0.109 0.431 134 Y N -0.221 120.095 120.300 0.027 0.000 2.364 134 Y HA 0.433 5.245 4.550 0.103 -0.200 0.340 134 Y C 0.558 176.554 175.900 0.159 0.000 0.975 134 Y CA -1.787 56.377 58.100 0.107 0.000 1.089 134 Y CB 2.774 41.325 38.460 0.151 0.000 1.192 134 Y HN 1.175 9.420 8.280 0.101 0.095 0.454 135 E N 3.562 123.975 120.200 0.356 0.000 2.396 135 E HA -0.217 4.482 4.350 0.269 -0.188 0.200 135 E C -1.040 175.686 176.600 0.210 0.000 1.023 135 E CA 2.450 59.021 56.400 0.286 0.000 0.857 135 E CB 0.435 30.306 29.700 0.285 0.000 0.775 135 E HN 0.013 8.582 8.360 0.348 0.000 0.525 136 L N -7.640 113.715 121.223 0.221 0.000 2.218 136 L HA 0.369 4.784 4.340 0.125 0.000 0.243 136 L C -1.715 175.230 176.870 0.124 0.000 1.132 136 L CA -2.259 52.668 54.840 0.144 0.000 1.052 136 L CB 1.151 43.272 42.059 0.103 0.000 1.599 136 L HN -0.549 7.790 8.230 0.298 0.069 0.468 137 S N -1.884 113.839 115.700 0.038 0.000 2.687 137 S HA 0.105 4.557 4.470 -0.030 0.000 0.283 137 S C -0.097 174.394 174.600 -0.181 0.000 1.170 137 S CA -0.656 57.515 58.200 -0.049 0.000 1.008 137 S CB 1.603 64.772 63.200 -0.051 0.000 1.026 137 S HN -0.195 8.134 8.310 0.032 0.000 0.541 138 N N -0.872 117.583 118.700 -0.409 0.000 2.696 138 N HA -0.431 3.651 4.740 -1.096 0.000 0.249 138 N C -1.559 173.516 175.510 -0.724 0.000 1.090 138 N CA 1.453 54.075 53.050 -0.713 0.000 0.716 138 N CB -1.114 37.149 38.487 -0.375 0.000 1.020 138 N HN 0.580 8.618 8.380 -0.359 0.126 0.548 139 Y N -10.025 110.009 120.300 -0.444 0.000 2.976 139 Y HA -0.358 3.844 4.550 -0.580 0.000 0.184 139 Y C 0.134 175.923 175.900 -0.184 0.000 1.493 139 Y CA 0.487 58.243 58.100 -0.573 0.000 0.851 139 Y CB -3.214 34.675 38.460 -0.952 0.000 1.355 139 Y HN -0.070 7.939 8.280 -0.402 0.029 0.382 140 R N -1.640 118.887 120.500 0.045 0.000 2.700 140 R HA 0.201 4.567 4.340 0.043 0.000 0.399 140 R C -1.185 175.167 176.300 0.087 0.000 1.115 140 R CA -1.524 54.604 56.100 0.047 0.000 1.058 140 R CB 0.554 30.859 30.300 0.009 0.000 1.389 140 R HN -0.240 8.068 8.270 0.063 0.000 0.582 141 G N -2.257 106.627 108.800 0.139 0.000 2.899 141 G HA2 -0.009 4.011 3.960 0.101 0.000 0.137 141 G HA3 -0.009 4.034 3.960 0.138 0.000 0.137 141 G C -1.131 173.854 174.900 0.142 0.000 1.198 141 G CA -0.346 44.834 45.100 0.133 0.000 1.126 141 G HN -0.437 7.901 8.290 0.185 0.063 0.589 142 R N 0.782 121.350 120.500 0.114 0.000 2.541 142 R HA 0.183 4.509 4.340 -0.022 0.000 0.263 142 R C -0.777 175.480 176.300 -0.071 0.000 1.112 142 R CA -1.393 54.698 56.100 -0.015 0.000 1.170 142 R CB 1.027 31.270 30.300 -0.095 0.000 1.167 142 R HN 0.032 8.383 8.270 0.135 0.000 0.582 143 Q N -2.147 117.418 119.800 -0.391 0.000 2.340 143 Q HA 0.839 5.111 4.340 -0.498 -0.230 0.276 143 Q C -2.007 173.521 176.000 -0.786 0.000 1.048 143 Q CA -1.171 54.296 55.803 -0.560 0.000 0.832 143 Q CB 3.613 32.051 28.738 -0.500 0.000 1.373 143 Q HN 0.061 8.061 8.270 -0.451 0.000 0.409 144 Y N -0.819 119.248 120.300 -0.388 0.000 2.598 144 Y HA 0.320 4.781 4.550 -0.148 0.000 0.340 144 Y C -1.170 174.507 175.900 -0.373 0.000 1.038 144 Y CA -1.548 56.377 58.100 -0.290 0.000 1.100 144 Y CB 2.727 40.995 38.460 -0.320 0.000 1.281 144 Y HN 0.670 8.670 8.280 -0.278 0.113 0.488 145 L N 0.825 121.996 121.223 -0.087 0.000 2.362 145 L HA 0.544 4.906 4.340 -0.205 -0.146 0.275 145 L C -1.349 175.464 176.870 -0.095 0.000 0.998 145 L CA -1.442 53.327 54.840 -0.119 0.000 0.820 145 L CB 2.730 44.772 42.059 -0.029 0.000 1.270 145 L HN 0.374 8.630 8.230 0.043 0.000 0.415 146 L N 5.036 126.174 121.223 -0.142 0.000 2.318 146 L HA 0.412 4.725 4.340 -0.044 0.000 0.277 146 L C -0.880 176.050 176.870 0.101 0.000 1.008 146 L CA -1.907 52.858 54.840 -0.125 0.000 0.846 146 L CB -1.085 40.707 42.059 -0.445 0.000 1.220 146 L HN 0.478 8.623 8.230 -0.141 0.000 0.423 147 M N 5.005 124.745 119.600 0.233 0.000 2.163 147 M HA 0.192 4.743 4.480 0.119 0.000 0.305 147 M C -1.971 174.484 176.300 0.258 0.000 1.166 147 M CA -3.237 52.176 55.300 0.188 0.000 1.132 147 M CB 0.128 32.806 32.600 0.130 0.000 1.413 147 M HN -0.149 8.333 8.290 0.321 0.000 0.478 148 P HA -0.110 4.557 4.420 0.233 -0.107 0.260 148 P C -1.321 176.077 177.300 0.164 0.000 1.207 148 P CA 0.116 63.329 63.100 0.187 0.000 0.780 148 P CB -0.307 31.470 31.700 0.128 0.000 0.789 149 G N 3.494 112.421 108.800 0.211 0.000 2.392 149 G HA2 -0.123 3.871 3.960 0.057 0.000 0.260 149 G HA3 -0.123 3.826 3.960 -0.018 0.000 0.260 149 G C -3.309 171.669 174.900 0.130 0.000 1.226 149 G CA 0.294 45.447 45.100 0.089 0.000 0.913 149 G HN -0.468 7.996 8.290 0.290 0.000 0.483 150 D N 0.807 121.166 120.400 -0.070 0.000 2.649 150 D HA 0.325 5.147 4.640 0.303 0.000 0.249 150 D C -1.513 174.699 176.300 -0.146 0.000 1.112 150 D CA -0.803 53.238 54.000 0.068 0.000 0.850 150 D CB 2.422 43.268 40.800 0.077 0.000 1.399 150 D HN -0.069 8.170 8.370 -0.218 0.000 0.503 151 Y N 1.889 122.316 120.300 0.212 0.000 2.376 151 Y HA 0.135 4.876 4.550 0.121 -0.118 0.340 151 Y C 0.195 176.141 175.900 0.076 0.000 0.965 151 Y CA -1.018 57.191 58.100 0.183 0.000 1.078 151 Y CB 2.754 41.428 38.460 0.356 0.000 1.193 151 Y HN 0.407 9.079 8.280 0.653 0.000 0.452 152 R N 0.095 120.632 120.500 0.062 0.000 2.397 152 R HA 0.313 4.429 4.340 -0.374 0.000 0.241 152 R C -0.771 175.466 176.300 -0.104 0.000 0.914 152 R CA -0.844 55.166 56.100 -0.151 0.000 1.071 152 R CB 1.169 31.375 30.300 -0.157 0.000 1.116 152 R HN 1.068 9.783 8.270 0.045 -0.418 0.524 153 R N -4.401 116.073 120.500 -0.044 0.000 2.752 153 R HA 0.387 4.911 4.340 0.071 -0.141 0.277 153 R C -1.629 174.424 176.300 -0.411 0.000 1.024 153 R CA -0.860 55.191 56.100 -0.083 0.000 0.866 153 R CB 1.220 31.447 30.300 -0.121 0.000 1.278 153 R HN -0.802 7.548 8.270 0.021 -0.067 0.473 154 Y N -1.726 118.178 120.300 -0.660 0.000 2.395 154 Y HA -0.095 2.942 4.550 -2.522 0.000 0.293 154 Y C 0.953 176.034 175.900 -1.366 0.000 1.123 154 Y CA 1.405 58.690 58.100 -1.358 0.000 1.227 154 Y CB -0.389 37.554 38.460 -0.862 0.000 1.012 154 Y HN 0.536 8.918 8.280 0.169 0.000 0.552 155 Q N -0.809 118.048 119.800 -1.572 0.000 2.297 155 Q HA -0.297 3.391 4.340 -1.087 0.000 0.204 155 Q C 1.895 177.499 176.000 -0.659 0.000 0.962 155 Q CA 2.498 57.633 55.803 -1.112 0.000 0.879 155 Q CB -0.766 27.442 28.738 -0.883 0.000 0.947 155 Q HN 0.034 7.400 8.270 -1.465 0.026 0.462 156 D N 0.813 120.878 120.400 -0.559 0.000 2.116 156 D HA -0.271 4.277 4.640 -0.154 0.000 0.193 156 D C 0.543 176.860 176.300 0.028 0.000 0.998 156 D CA 2.768 56.664 54.000 -0.173 0.000 0.836 156 D CB -0.593 40.241 40.800 0.056 0.000 0.951 156 D HN -0.152 7.792 8.370 -0.660 0.030 0.449 157 W N -2.260 119.124 121.300 0.140 0.000 3.364 157 W HA 0.119 4.896 4.660 0.195 0.000 0.397 157 W C -0.185 176.388 176.519 0.091 0.000 1.107 157 W CA -1.836 55.595 57.345 0.144 0.000 1.892 157 W CB -1.437 28.074 29.460 0.086 0.000 1.027 157 W HN -0.877 6.886 8.180 -0.695 0.000 0.761 158 G N 0.930 109.691 108.800 -0.065 0.000 2.354 158 G HA2 -0.473 3.461 3.960 -0.135 0.000 0.278 158 G HA3 -0.473 3.534 3.960 0.078 0.000 0.278 158 G C -1.343 173.603 174.900 0.076 0.000 0.953 158 G CA 0.441 45.526 45.100 -0.025 0.000 1.346 158 G HN -0.082 7.869 8.290 -0.186 0.228 0.467 159 A N 0.814 123.556 122.820 -0.130 0.000 2.371 159 A HA 0.376 4.908 4.320 0.353 0.000 0.311 159 A C -0.643 177.051 177.584 0.183 0.000 1.068 159 A CA -1.380 50.737 52.037 0.134 0.000 0.744 159 A CB 2.356 21.453 19.000 0.162 0.000 1.239 159 A HN -0.848 7.030 8.150 -0.453 0.000 0.435 160 T N 1.253 115.961 114.554 0.257 0.000 2.867 160 T HA -0.266 4.223 4.350 0.231 0.000 0.268 160 T C -0.623 174.243 174.700 0.277 0.000 1.057 160 T CA 2.463 64.713 62.100 0.249 0.000 1.136 160 T CB -0.129 68.852 68.868 0.188 0.000 0.874 160 T HN 0.496 8.916 8.240 0.300 0.000 0.466 161 N N -2.571 116.232 118.700 0.171 0.000 3.278 161 N HA 0.067 4.543 4.740 -0.440 0.000 0.307 161 N C -1.980 173.410 175.510 -0.199 0.000 1.551 161 N CA -0.995 51.973 53.050 -0.137 0.000 0.794 161 N CB 2.553 41.014 38.487 -0.043 0.000 1.770 161 N HN -0.735 7.745 8.380 0.205 0.024 0.612 162 A N -1.226 121.407 122.820 -0.312 0.000 2.324 162 A HA 0.216 4.507 4.320 -0.049 0.000 0.220 162 A C -0.401 177.185 177.584 0.002 0.000 1.209 162 A CA 0.342 52.254 52.037 -0.208 0.000 0.918 162 A CB 0.824 19.480 19.000 -0.573 0.000 0.959 162 A HN 0.192 8.180 8.150 -0.270 0.000 0.507 163 R N 0.535 121.048 120.500 0.022 0.000 2.763 163 R HA -0.166 4.463 4.340 0.125 -0.214 0.348 163 R C -0.814 175.545 176.300 0.098 0.000 0.826 163 R CA 0.624 56.778 56.100 0.089 0.000 1.109 163 R CB -1.949 28.404 30.300 0.088 0.000 0.889 163 R HN -0.241 8.021 8.270 -0.013 0.000 0.402 164 V N 4.638 124.647 119.914 0.158 0.000 2.495 164 V HA 0.235 4.511 4.120 0.079 -0.109 0.298 164 V C -1.308 174.894 176.094 0.180 0.000 1.031 164 V CA -1.027 61.343 62.300 0.116 0.000 0.871 164 V CB 2.625 34.457 31.823 0.016 0.000 0.988 164 V HN 0.584 8.805 8.190 0.233 0.109 0.432 165 G N 4.287 113.170 108.800 0.139 0.000 2.724 165 G HA2 0.239 4.304 3.960 0.174 0.000 0.205 165 G HA3 0.239 4.269 3.960 0.143 0.016 0.205 165 G C -1.263 173.679 174.900 0.070 0.000 1.112 165 G CA -0.147 45.035 45.100 0.138 0.000 0.793 165 G HN 1.205 9.472 8.290 0.148 0.112 0.526 166 S N -1.144 114.614 115.700 0.097 0.000 2.611 166 S HA 0.451 4.893 4.470 -0.075 -0.018 0.268 166 S C -2.439 172.285 174.600 0.207 0.000 1.156 166 S CA -0.029 58.230 58.200 0.099 0.000 0.817 166 S CB 3.520 66.819 63.200 0.164 0.000 1.122 166 S HN -0.569 7.836 8.310 0.158 0.000 0.466 167 L N -4.800 116.513 121.223 0.151 0.000 2.653 167 L HA 1.056 5.676 4.340 0.216 -0.151 0.257 167 L C -2.819 174.153 176.870 0.169 0.000 0.969 167 L CA -0.493 54.411 54.840 0.107 0.000 0.869 167 L CB 4.491 46.437 42.059 -0.188 0.000 1.439 167 L HN 0.987 9.152 8.230 0.087 0.117 0.414 168 R N -1.291 119.282 120.500 0.122 0.000 2.831 168 R HA 0.538 4.939 4.340 0.102 0.000 0.266 168 R C -2.027 174.119 176.300 -0.257 0.000 1.051 168 R CA -2.203 53.905 56.100 0.013 0.000 0.943 168 R CB 4.239 34.509 30.300 -0.049 0.000 1.228 168 R HN 0.348 8.631 8.270 0.023 0.000 0.467 169 R N 0.073 120.157 120.500 -0.692 0.000 2.349 169 R HA 0.136 3.523 4.340 -1.760 -0.103 0.299 169 R C -0.347 175.528 176.300 -0.708 0.000 1.027 169 R CA -0.556 54.782 56.100 -1.271 0.000 0.958 169 R CB 1.028 30.367 30.300 -1.601 0.000 1.047 169 R HN 0.247 8.213 8.270 -0.507 0.000 0.468 170 V N 5.280 124.848 119.914 -0.578 0.000 1.984 170 V HA -0.040 4.036 4.120 -0.073 0.000 0.272 170 V C -2.101 173.967 176.094 -0.043 0.000 1.706 170 V CA 0.441 62.634 62.300 -0.179 0.000 1.644 170 V CB -1.713 30.076 31.823 -0.058 0.000 1.509 170 V HN 0.655 8.305 8.190 -0.704 0.117 0.511 171 I N -0.002 120.454 120.570 -0.189 0.000 2.913 171 I HA 0.140 4.414 4.170 0.173 0.000 0.302 171 I C -1.782 174.109 176.117 -0.377 0.000 1.246 171 I CA -0.667 60.557 61.300 -0.127 0.000 1.010 171 I CB 4.656 42.550 38.000 -0.177 0.000 1.259 171 I HN -0.445 7.518 8.210 -0.304 0.065 0.434 172 D N 1.155 120.994 120.400 -0.936 0.000 2.615 172 D HA 0.040 4.333 4.640 -0.577 0.000 0.274 172 D C -0.936 174.543 176.300 -1.368 0.000 1.512 172 D CA 0.361 53.663 54.000 -1.162 0.000 0.803 172 D CB 0.633 40.706 40.800 -1.211 0.000 1.182 172 D HN 0.416 8.102 8.370 -1.140 0.000 0.473 173 F N -3.380 116.519 119.950 -0.085 0.000 1.855 173 F HA 0.229 4.725 4.527 -0.052 0.000 0.228 173 F C -0.912 174.867 175.800 -0.036 0.000 1.236 173 F CA -0.169 57.781 58.000 -0.084 0.000 1.308 173 F CB 0.492 39.391 39.000 -0.169 0.000 1.877 173 F HN -0.341 7.681 8.300 -0.464 0.000 0.272 174 S N 0.000 115.852 115.700 0.254 0.000 2.498 174 S HA 0.000 4.524 4.470 0.090 0.000 0.327 174 S CA 0.000 58.294 58.200 0.156 0.000 1.107 174 S CB 0.000 63.278 63.200 0.130 0.000 0.593 174 S HN 0.000 8.527 8.310 0.361 0.000 0.517