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 2hym_6_A DATA FIRST_RESID 1 DATA SEQUENCE SYDSPDYTDE ScTFKISLRN FRSILSWELK NHSIVPTHYT LLYTIMSKPE DATA SEQUENCE DLKVVKNcAN TTRSFcDLTD EWRSTHEAYV TVLEGFSGNT TLFScSHNFW DATA SEQUENCE LAIDMSFEPP EFEIVGFTNH INVMVKFPSI VEEELQFDLS LVIEEQSEGI DATA SEQUENCE VKKHKPEIKG NMSGNFTYII DKLIPNTNYc VSVYLEHSDE QAVIKSPLKc DATA SEQUENCE TLLPPGQESE FS 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 4.456 4.470 -0.023 0.000 0.327 1 S C 0.000 174.506 174.600 -0.157 0.000 1.055 1 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 1 S CB 0.000 63.141 63.200 -0.099 0.000 0.593 2 Y N 1.922 122.219 120.300 -0.005 0.000 2.638 2 Y HA 0.016 4.564 4.550 -0.002 0.000 0.339 2 Y C -0.694 175.206 175.900 -0.000 0.000 1.084 2 Y CA -0.820 57.279 58.100 -0.002 0.000 1.068 2 Y CB 1.654 40.114 38.460 0.000 0.000 1.294 2 Y HN -0.685 7.695 8.280 0.166 0.000 0.480 3 D N -0.114 120.407 120.400 0.202 0.000 3.555 3 D HA -0.300 4.402 4.640 0.104 0.000 0.255 3 D C -1.212 175.126 176.300 0.063 0.000 1.942 3 D CA 0.415 54.484 54.000 0.114 0.000 1.112 3 D CB 0.077 40.940 40.800 0.106 0.000 0.856 3 D HN -0.030 8.511 8.370 0.284 0.000 1.027 4 S N 1.456 117.193 115.700 0.061 0.000 2.580 4 S HA 0.145 4.631 4.470 0.027 0.000 0.274 4 S C -2.198 172.410 174.600 0.012 0.000 1.329 4 S CA -0.925 57.303 58.200 0.046 0.000 1.036 4 S CB 0.107 63.363 63.200 0.094 0.000 0.919 4 S HN -0.079 8.274 8.310 0.072 0.000 0.515 5 P HA -0.104 4.263 4.420 -0.089 0.000 0.263 5 P C -1.556 175.638 177.300 -0.176 0.000 1.175 5 P CA 0.071 63.087 63.100 -0.141 0.000 0.761 5 P CB 0.551 32.108 31.700 -0.238 0.000 0.794 6 D N 1.764 122.102 120.400 -0.102 0.000 2.412 6 D HA -0.188 4.467 4.640 0.026 0.000 0.257 6 D C 0.289 176.523 176.300 -0.111 0.000 1.217 6 D CA 0.703 54.678 54.000 -0.042 0.000 0.897 6 D CB 0.343 41.143 40.800 -0.000 0.000 1.132 6 D HN 0.060 8.386 8.370 -0.074 0.000 0.493 7 Y N 6.822 127.101 120.300 -0.035 0.000 2.667 7 Y HA -0.003 4.483 4.550 -0.107 0.000 0.340 7 Y C 0.802 176.667 175.900 -0.058 0.000 1.303 7 Y CA -0.631 57.426 58.100 -0.071 0.000 1.769 7 Y CB -1.530 36.888 38.460 -0.069 0.000 1.804 7 Y HN 0.324 8.733 8.280 0.215 0.000 0.451 8 T N 5.665 120.258 114.554 0.065 0.000 4.099 8 T HA 0.007 4.406 4.350 0.082 0.000 0.223 8 T C -0.711 174.093 174.700 0.174 0.000 0.968 8 T CA 0.817 62.992 62.100 0.125 0.000 0.966 8 T CB -1.093 67.882 68.868 0.179 0.000 1.328 8 T HN -0.044 8.151 8.240 -0.002 0.043 0.783 9 D N -0.066 120.377 120.400 0.073 0.000 2.412 9 D HA 0.255 5.091 4.640 0.134 -0.115 0.298 9 D C -0.317 175.950 176.300 -0.056 0.000 1.136 9 D CA 0.623 54.655 54.000 0.053 0.000 0.988 9 D CB 2.296 43.103 40.800 0.012 0.000 1.712 9 D HN 0.046 8.371 8.370 0.062 0.083 0.503 10 E N 0.215 120.352 120.200 -0.105 0.000 2.489 10 E HA 0.304 4.400 4.350 -0.424 0.000 0.232 10 E C -0.568 175.885 176.600 -0.245 0.000 0.990 10 E CA -1.215 55.020 56.400 -0.275 0.000 0.768 10 E CB 0.883 30.423 29.700 -0.267 0.000 1.270 10 E HN -0.579 7.761 8.360 -0.034 0.000 0.423 11 S N 1.907 117.455 115.700 -0.254 0.000 2.345 11 S HA -0.136 4.247 4.470 -0.144 0.000 0.220 11 S C 0.796 175.204 174.600 -0.320 0.000 1.031 11 S CA 1.869 59.939 58.200 -0.217 0.000 0.996 11 S CB 0.736 63.828 63.200 -0.179 0.000 0.882 11 S HN 0.342 8.492 8.310 -0.266 0.000 0.445 12 c N -1.660 116.662 118.600 -0.463 0.000 4.356 12 c HA -0.359 3.789 4.570 -0.704 0.000 0.296 12 c C -1.267 172.186 174.090 -1.062 0.000 1.424 12 c CA 0.535 56.455 56.329 -0.681 0.000 2.000 12 c CB -3.117 39.134 42.510 -0.432 0.000 1.262 12 c HN 0.058 8.011 8.230 -0.461 0.000 0.789 13 T N 2.132 116.255 114.554 -0.718 0.000 2.743 13 T HA 0.087 4.091 4.350 -0.578 0.000 0.293 13 T C -1.252 173.143 174.700 -0.508 0.000 0.945 13 T CA 0.213 61.985 62.100 -0.548 0.000 1.030 13 T CB 0.718 69.458 68.868 -0.214 0.000 0.912 13 T HN -0.646 7.273 8.240 -0.495 0.024 0.483 14 F N 5.619 125.610 119.950 0.068 0.000 2.458 14 F HA 0.586 5.304 4.527 0.074 -0.146 0.330 14 F C 0.030 175.935 175.800 0.176 0.000 1.082 14 F CA -1.937 56.133 58.000 0.116 0.000 0.995 14 F CB 2.351 41.406 39.000 0.090 0.000 1.170 14 F HN 0.297 8.477 8.300 -0.201 0.000 0.478 15 K N 1.472 121.998 120.400 0.211 0.000 2.501 15 K HA 0.414 4.882 4.320 0.247 0.000 0.252 15 K C -2.563 174.021 176.600 -0.026 0.000 0.934 15 K CA -1.418 54.945 56.287 0.126 0.000 0.797 15 K CB 3.993 36.536 32.500 0.073 0.000 1.270 15 K HN 0.640 8.996 8.250 0.178 0.000 0.431 16 I N 5.149 125.698 120.570 -0.035 0.000 2.509 16 I HA 0.672 4.879 4.170 -0.199 -0.156 0.293 16 I C -2.532 173.515 176.117 -0.115 0.000 1.020 16 I CA -2.012 59.203 61.300 -0.142 0.000 1.088 16 I CB 2.821 40.703 38.000 -0.196 0.000 1.267 16 I HN 0.433 8.688 8.210 0.075 0.000 0.430 17 S N 6.223 121.812 115.700 -0.184 0.000 2.500 17 S HA 0.356 4.731 4.470 -0.159 0.000 0.301 17 S C -1.723 172.703 174.600 -0.290 0.000 1.092 17 S CA -1.321 56.762 58.200 -0.195 0.000 1.030 17 S CB 2.672 65.770 63.200 -0.170 0.000 1.031 17 S HN 0.672 8.743 8.310 -0.224 0.104 0.483 18 L N 4.965 125.950 121.223 -0.396 0.000 2.353 18 L HA 0.304 4.579 4.340 -0.466 -0.215 0.269 18 L C -1.239 175.304 176.870 -0.545 0.000 1.085 18 L CA -0.989 53.496 54.840 -0.592 0.000 0.938 18 L CB 0.691 42.159 42.059 -0.985 0.000 1.312 18 L HN 0.637 8.643 8.230 -0.374 0.000 0.429 19 R N 5.207 125.513 120.500 -0.324 0.000 2.248 19 R HA -0.015 4.270 4.340 -0.091 0.000 0.337 19 R C -0.798 175.398 176.300 -0.172 0.000 1.106 19 R CA -0.226 55.765 56.100 -0.182 0.000 0.959 19 R CB -0.186 30.009 30.300 -0.174 0.000 1.075 19 R HN -0.273 7.807 8.270 -0.318 0.000 0.480 20 N N 5.307 124.022 118.700 0.024 0.000 2.726 20 N HA -0.321 4.613 4.740 0.325 0.000 0.253 20 N C -1.058 174.199 175.510 -0.422 0.000 1.059 20 N CA 1.021 54.062 53.050 -0.014 0.000 0.701 20 N CB -1.975 36.401 38.487 -0.185 0.000 0.899 20 N HN 0.597 9.105 8.380 0.214 0.000 0.548 21 F N -11.332 108.721 119.950 0.172 0.000 3.079 21 F HA -0.506 3.904 4.527 -0.196 0.000 0.285 21 F C -2.383 173.338 175.800 -0.131 0.000 0.819 21 F CA 1.142 59.131 58.000 -0.019 0.000 1.067 21 F CB -2.317 36.772 39.000 0.148 0.000 1.263 21 F HN 0.141 8.716 8.300 0.459 0.000 0.458 22 R N 0.623 120.926 120.500 -0.329 0.000 2.265 22 R HA 0.200 4.459 4.340 -0.134 0.000 0.328 22 R C -0.838 175.290 176.300 -0.286 0.000 0.969 22 R CA -1.893 54.046 56.100 -0.268 0.000 0.832 22 R CB 1.529 31.641 30.300 -0.314 0.000 1.139 22 R HN -0.942 6.920 8.270 -0.365 0.189 0.457 23 S N 5.324 120.868 115.700 -0.260 0.000 2.465 23 S HA -0.119 4.136 4.470 -0.359 0.000 0.280 23 S C -1.035 173.295 174.600 -0.450 0.000 1.232 23 S CA 1.454 59.431 58.200 -0.372 0.000 1.066 23 S CB 0.055 63.015 63.200 -0.399 0.000 0.929 23 S HN 0.548 8.763 8.310 -0.159 0.000 0.494 24 I N 5.949 126.277 120.570 -0.403 0.000 2.439 24 I HA 0.625 4.734 4.170 -0.369 -0.160 0.285 24 I C -1.617 174.293 176.117 -0.346 0.000 1.021 24 I CA -1.018 60.069 61.300 -0.354 0.000 1.091 24 I CB 2.024 39.856 38.000 -0.280 0.000 1.242 24 I HN 0.398 8.386 8.210 -0.369 0.000 0.439 25 L N 5.133 126.139 121.223 -0.361 0.000 2.334 25 L HA 0.927 5.240 4.340 -0.275 -0.138 0.270 25 L C -1.109 175.627 176.870 -0.223 0.000 1.018 25 L CA -1.964 52.700 54.840 -0.294 0.000 0.811 25 L CB 1.847 43.693 42.059 -0.355 0.000 1.271 25 L HN 0.601 8.604 8.230 -0.378 0.000 0.443 26 S N -2.576 113.017 115.700 -0.178 0.000 2.564 26 S HA 0.666 4.817 4.470 -0.709 -0.107 0.274 26 S C -1.462 173.106 174.600 -0.052 0.000 1.124 26 S CA -1.212 56.790 58.200 -0.330 0.000 0.869 26 S CB 3.234 66.272 63.200 -0.271 0.000 1.105 26 S HN 0.686 8.927 8.310 -0.115 0.000 0.472 27 W N -2.142 119.186 121.300 0.047 0.000 2.706 27 W HA 0.688 5.545 4.660 0.131 -0.118 0.346 27 W C -0.727 175.729 176.519 -0.105 0.000 1.071 27 W CA -2.102 55.267 57.345 0.041 0.000 1.206 27 W CB 1.907 31.416 29.460 0.082 0.000 1.413 27 W HN -0.234 7.232 8.180 -1.191 0.000 0.542 28 E N 1.397 121.615 120.200 0.029 0.000 2.191 28 E HA 0.329 4.658 4.350 -0.035 0.000 0.263 28 E C -1.961 174.566 176.600 -0.121 0.000 0.881 28 E CA -1.021 55.344 56.400 -0.059 0.000 0.757 28 E CB 2.719 32.367 29.700 -0.087 0.000 1.147 28 E HN 0.172 8.502 8.360 -0.051 0.000 0.414 29 L N 4.944 126.118 121.223 -0.083 0.000 2.471 29 L HA 0.222 4.423 4.340 -0.232 0.000 0.263 29 L C -1.520 175.319 176.870 -0.050 0.000 0.985 29 L CA -0.676 54.079 54.840 -0.142 0.000 0.868 29 L CB 1.634 43.592 42.059 -0.168 0.000 1.203 29 L HN 0.466 8.680 8.230 -0.026 0.000 0.429 30 K N 4.769 125.137 120.400 -0.055 0.000 2.278 30 K HA -0.057 4.271 4.320 0.012 0.000 0.289 30 K C -1.002 175.618 176.600 0.034 0.000 1.080 30 K CA -1.288 54.999 56.287 0.000 0.000 0.934 30 K CB -0.676 31.828 32.500 0.007 0.000 1.093 30 K HN 0.367 8.561 8.250 -0.092 0.000 0.459 31 N N 3.515 122.249 118.700 0.058 0.000 2.454 31 N HA -0.186 4.613 4.740 0.099 0.000 0.254 31 N C -0.752 174.818 175.510 0.101 0.000 1.228 31 N CA 1.517 54.620 53.050 0.088 0.000 0.900 31 N CB 0.766 39.307 38.487 0.091 0.000 1.089 31 N HN 0.025 8.438 8.380 0.056 0.000 0.449 32 H N 3.773 122.862 119.070 0.032 0.000 2.269 32 H HA 0.024 4.591 4.556 0.019 0.000 0.216 32 H C 0.316 175.663 175.328 0.031 0.000 0.985 32 H CA 1.406 57.469 56.048 0.026 0.000 1.274 32 H CB 1.646 31.423 29.762 0.025 0.000 1.283 32 H HN 0.416 8.809 8.280 0.190 0.000 0.491 33 S N -0.967 114.888 115.700 0.260 0.000 2.497 33 S HA 0.001 4.543 4.470 0.120 0.000 0.218 33 S C -0.995 173.671 174.600 0.110 0.000 1.023 33 S CA 0.989 59.287 58.200 0.164 0.000 0.913 33 S CB 0.859 64.164 63.200 0.176 0.000 0.800 33 S HN 0.136 8.623 8.310 0.295 0.000 0.505 34 I N 1.479 122.121 120.570 0.121 0.000 2.509 34 I HA 0.115 4.337 4.170 0.086 0.000 0.293 34 I C -1.876 174.308 176.117 0.111 0.000 1.020 34 I CA -0.553 60.811 61.300 0.105 0.000 1.088 34 I CB 2.854 40.922 38.000 0.114 0.000 1.267 34 I HN -0.584 7.714 8.210 0.146 0.000 0.430 35 V N 5.656 125.625 119.914 0.092 0.000 2.266 35 V HA 0.386 4.578 4.120 0.121 0.000 0.271 35 V C -2.210 173.932 176.094 0.080 0.000 1.032 35 V CA -3.236 59.121 62.300 0.095 0.000 0.806 35 V CB -0.109 31.757 31.823 0.072 0.000 1.052 35 V HN 0.230 8.466 8.190 0.077 0.000 0.449 36 P HA 0.293 4.678 4.420 -0.059 0.000 0.280 36 P C -0.169 177.038 177.300 -0.155 0.000 1.244 36 P CA -0.402 62.675 63.100 -0.038 0.000 0.784 36 P CB 1.201 32.904 31.700 0.006 0.000 0.913 37 T N 1.767 116.188 114.554 -0.221 0.000 3.034 37 T HA 0.043 4.339 4.350 -0.091 0.000 0.248 37 T C -0.989 173.507 174.700 -0.340 0.000 1.040 37 T CA 0.758 62.755 62.100 -0.172 0.000 1.107 37 T CB 0.796 69.655 68.868 -0.015 0.000 0.932 37 T HN 0.502 8.645 8.240 -0.162 0.000 0.474 38 H N -0.370 118.422 119.070 -0.464 0.000 2.472 38 H HA 0.788 5.386 4.556 -0.248 -0.190 0.338 38 H C -2.146 172.834 175.328 -0.579 0.000 1.133 38 H CA -2.319 53.510 56.048 -0.364 0.000 1.216 38 H CB 1.118 30.808 29.762 -0.120 0.000 1.497 38 H HN -0.415 7.642 8.280 -0.371 0.000 0.500 39 Y N -0.881 119.454 120.300 0.058 0.000 2.638 39 Y HA 0.172 4.519 4.550 -0.337 0.000 0.339 39 Y C -1.304 174.554 175.900 -0.070 0.000 1.084 39 Y CA -1.214 56.784 58.100 -0.169 0.000 1.068 39 Y CB 3.799 42.054 38.460 -0.341 0.000 1.294 39 Y HN 0.616 8.981 8.280 0.142 0.000 0.480 40 T N 2.040 116.562 114.554 -0.053 0.000 3.011 40 T HA 0.387 4.952 4.350 0.053 -0.184 0.303 40 T C -2.185 172.403 174.700 -0.187 0.000 0.997 40 T CA -0.350 61.748 62.100 -0.003 0.000 1.007 40 T CB 2.218 71.220 68.868 0.224 0.000 1.017 40 T HN 0.125 8.223 8.240 -0.235 0.000 0.443 41 L N 7.425 128.565 121.223 -0.139 0.000 2.289 41 L HA 0.352 4.545 4.340 -0.245 0.000 0.285 41 L C -2.763 174.121 176.870 0.022 0.000 1.049 41 L CA -1.174 53.595 54.840 -0.118 0.000 0.804 41 L CB 1.591 43.660 42.059 0.015 0.000 1.195 41 L HN -0.043 8.170 8.230 -0.028 0.000 0.428 42 L N 3.200 124.428 121.223 0.008 0.000 2.381 42 L HA 0.514 4.936 4.340 -0.064 -0.120 0.268 42 L C -1.673 175.256 176.870 0.099 0.000 0.997 42 L CA -0.960 53.875 54.840 -0.009 0.000 0.818 42 L CB 3.028 45.057 42.059 -0.050 0.000 1.310 42 L HN 0.423 8.626 8.230 -0.046 0.000 0.416 43 Y N -3.229 117.130 120.300 0.098 0.000 2.492 43 Y HA 0.829 5.554 4.550 0.083 -0.126 0.346 43 Y C -2.143 173.800 175.900 0.072 0.000 0.997 43 Y CA -2.441 55.736 58.100 0.127 0.000 1.025 43 Y CB 2.968 41.612 38.460 0.308 0.000 1.263 43 Y HN 0.970 8.946 8.280 -0.507 0.000 0.454 44 T N 0.794 115.436 114.554 0.147 0.000 2.742 44 T HA 0.662 5.150 4.350 0.004 -0.137 0.282 44 T C -1.543 173.125 174.700 -0.052 0.000 1.025 44 T CA -3.446 58.666 62.100 0.021 0.000 1.020 44 T CB 2.409 71.262 68.868 -0.025 0.000 1.317 44 T HN 0.772 9.006 8.240 0.170 0.108 0.538 45 I N -5.482 115.010 120.570 -0.129 0.000 3.264 45 I HA 0.865 5.054 4.170 -0.347 -0.227 0.309 45 I C -0.773 175.226 176.117 -0.197 0.000 1.099 45 I CA -2.998 58.155 61.300 -0.245 0.000 0.989 45 I CB 3.164 40.999 38.000 -0.275 0.000 1.250 45 I HN -0.360 7.792 8.210 -0.097 0.000 0.478 46 M N -0.029 119.429 119.600 -0.238 0.000 2.248 46 M HA -0.216 4.178 4.480 -0.143 0.000 0.265 46 M C 1.545 177.780 176.300 -0.109 0.000 1.079 46 M CA 2.971 58.169 55.300 -0.169 0.000 1.150 46 M CB 0.547 33.032 32.600 -0.190 0.000 1.366 46 M HN 0.386 8.633 8.290 -0.311 -0.143 0.433 47 S N 0.447 116.080 115.700 -0.111 0.000 2.400 47 S HA -0.250 4.187 4.470 -0.055 0.000 0.232 47 S C -0.024 174.540 174.600 -0.059 0.000 1.025 47 S CA 2.461 60.618 58.200 -0.072 0.000 0.993 47 S CB 0.270 63.428 63.200 -0.070 0.000 0.808 47 S HN 0.103 8.745 8.310 -0.147 -0.420 0.478 48 K N -4.017 116.341 120.400 -0.070 0.000 2.761 48 K HA 0.450 4.744 4.320 -0.043 0.000 0.257 48 K C -2.255 174.311 176.600 -0.057 0.000 1.053 48 K CA -2.492 53.763 56.287 -0.054 0.000 1.035 48 K CB 0.416 32.889 32.500 -0.045 0.000 1.267 48 K HN -0.634 7.540 8.250 -0.093 0.021 0.505 49 P HA 0.027 4.538 4.420 -0.052 -0.122 0.223 49 P C 0.838 178.117 177.300 -0.035 0.000 1.151 49 P CA 1.318 64.392 63.100 -0.043 0.000 0.787 49 P CB 0.481 32.161 31.700 -0.032 0.000 0.788 50 E N -1.327 118.854 120.200 -0.031 0.000 2.482 50 E HA -0.120 4.216 4.350 -0.024 0.000 0.196 50 E C 0.479 177.058 176.600 -0.035 0.000 1.047 50 E CA 1.382 57.765 56.400 -0.028 0.000 0.869 50 E CB -0.666 29.021 29.700 -0.022 0.000 0.836 50 E HN 0.499 8.807 8.360 -0.031 0.034 0.520 51 D N 1.741 122.116 120.400 -0.042 0.000 2.994 51 D HA 0.066 4.680 4.640 -0.044 0.000 0.240 51 D C -1.527 174.733 176.300 -0.067 0.000 1.195 51 D CA 0.012 53.983 54.000 -0.048 0.000 0.957 51 D CB -1.108 39.664 40.800 -0.046 0.000 1.105 51 D HN -0.510 7.656 8.370 -0.044 0.178 0.477 52 L N 0.201 121.380 121.223 -0.072 0.000 2.385 52 L HA -0.156 4.257 4.340 -0.111 -0.140 0.281 52 L C -0.455 176.312 176.870 -0.172 0.000 1.106 52 L CA 0.181 54.956 54.840 -0.107 0.000 0.856 52 L CB -0.088 41.928 42.059 -0.071 0.000 1.186 52 L HN -0.507 7.599 8.230 -0.056 0.091 0.453 53 K N 6.786 126.988 120.400 -0.330 0.000 2.185 53 K HA 0.345 4.523 4.320 -0.236 0.000 0.269 53 K C -1.289 174.931 176.600 -0.634 0.000 0.987 53 K CA -1.491 54.537 56.287 -0.431 0.000 0.865 53 K CB 2.531 34.776 32.500 -0.425 0.000 1.090 53 K HN 0.729 8.655 8.250 -0.378 0.097 0.450 54 V N 0.860 120.598 119.914 -0.294 0.000 3.262 54 V HA 0.693 4.843 4.120 -0.165 -0.128 0.313 54 V C -0.867 175.227 176.094 -0.001 0.000 1.070 54 V CA -2.125 60.088 62.300 -0.145 0.000 1.049 54 V CB 1.775 33.575 31.823 -0.038 0.000 1.157 54 V HN 0.257 8.337 8.190 -0.184 0.000 0.454 55 V N -2.193 117.803 119.914 0.136 0.000 2.448 55 V HA 0.341 4.608 4.120 0.244 0.000 0.295 55 V C -0.600 175.573 176.094 0.132 0.000 1.025 55 V CA -1.879 60.549 62.300 0.214 0.000 0.859 55 V CB 1.164 33.154 31.823 0.280 0.000 0.988 55 V HN -0.365 7.893 8.190 0.114 0.000 0.431 56 K N 7.357 127.824 120.400 0.112 0.000 2.414 56 K HA -0.157 4.204 4.320 0.069 0.000 0.272 56 K C 0.899 177.547 176.600 0.079 0.000 0.993 56 K CA 1.431 57.766 56.287 0.081 0.000 0.964 56 K CB 0.199 32.741 32.500 0.070 0.000 0.925 56 K HN 0.352 8.678 8.250 0.127 0.000 0.487 57 N N -0.761 117.979 118.700 0.066 0.000 2.811 57 N HA -0.324 4.446 4.740 0.049 0.000 0.211 57 N C -0.443 175.116 175.510 0.081 0.000 0.990 57 N CA 2.179 55.266 53.050 0.061 0.000 1.362 57 N CB -1.251 37.269 38.487 0.055 0.000 0.940 57 N HN 0.550 8.964 8.380 0.057 0.000 0.572 58 c N -3.042 115.624 118.600 0.110 0.000 2.594 58 c HA -0.022 4.654 4.570 0.177 0.000 0.265 58 c C -0.218 173.966 174.090 0.157 0.000 1.351 58 c CA -0.810 55.618 56.329 0.165 0.000 1.744 58 c CB -0.834 41.798 42.510 0.203 0.000 1.890 58 c HN -0.632 7.514 8.230 0.107 0.149 0.551 59 A N -0.436 122.452 122.820 0.114 0.000 2.331 59 A HA 0.094 4.482 4.320 0.113 0.000 0.283 59 A C -1.524 176.122 177.584 0.104 0.000 1.142 59 A CA -0.415 51.683 52.037 0.102 0.000 0.812 59 A CB 0.453 19.495 19.000 0.070 0.000 1.074 59 A HN -0.567 7.592 8.150 0.099 0.050 0.497 60 N N -0.523 118.265 118.700 0.147 0.000 2.707 60 N HA -0.520 4.447 4.740 0.295 -0.050 0.253 60 N C -1.281 174.293 175.510 0.107 0.000 0.998 60 N CA 1.305 54.440 53.050 0.142 0.000 0.751 60 N CB -2.230 36.259 38.487 0.004 0.000 0.920 60 N HN 0.475 8.967 8.380 0.187 0.000 0.539 61 T N -0.498 114.150 114.554 0.158 0.000 2.945 61 T HA 0.174 4.569 4.350 0.076 0.000 0.286 61 T C 0.051 174.843 174.700 0.153 0.000 1.025 61 T CA -1.015 61.161 62.100 0.127 0.000 1.039 61 T CB 2.375 71.319 68.868 0.127 0.000 1.068 61 T HN -0.354 8.002 8.240 0.200 0.004 0.497 62 T N 2.945 117.555 114.554 0.093 0.000 3.186 62 T HA 0.305 4.897 4.350 0.095 -0.185 0.257 62 T C 0.021 174.770 174.700 0.082 0.000 1.029 62 T CA -0.991 61.160 62.100 0.085 0.000 0.916 62 T CB -0.408 68.486 68.868 0.043 0.000 1.041 62 T HN 0.210 8.484 8.240 0.057 0.000 0.562 63 R N 1.277 121.811 120.500 0.057 0.000 2.527 63 R HA 0.104 4.332 4.340 -0.188 0.000 0.243 63 R C -0.260 176.029 176.300 -0.018 0.000 1.206 63 R CA -0.469 55.539 56.100 -0.154 0.000 1.134 63 R CB 1.645 31.674 30.300 -0.451 0.000 1.347 63 R HN -0.822 7.416 8.270 0.098 0.090 0.580 64 S N -3.138 112.298 115.700 -0.439 0.000 2.666 64 S HA 0.120 4.460 4.470 -0.216 0.000 0.239 64 S C -1.648 172.269 174.600 -1.138 0.000 1.031 64 S CA -0.235 57.647 58.200 -0.530 0.000 1.015 64 S CB 0.638 63.684 63.200 -0.257 0.000 0.981 64 S HN 0.263 8.048 8.310 -0.876 0.000 0.547 65 F N -3.247 116.290 119.950 -0.689 0.000 2.613 65 F HA 0.843 4.860 4.527 -1.034 -0.110 0.314 65 F C -1.681 173.912 175.800 -0.344 0.000 1.075 65 F CA -2.608 54.990 58.000 -0.671 0.000 0.945 65 F CB 3.069 41.828 39.000 -0.402 0.000 1.310 65 F HN -0.998 6.536 8.300 -1.275 0.000 0.467 66 c N 2.916 121.500 118.600 -0.026 0.000 2.608 66 c HA 0.341 4.963 4.570 0.087 0.000 0.325 66 c C -2.236 171.815 174.090 -0.065 0.000 1.147 66 c CA -0.941 55.414 56.329 0.044 0.000 1.359 66 c CB 2.624 45.226 42.510 0.153 0.000 1.912 66 c HN 0.788 8.954 8.230 -0.106 0.000 0.466 67 D N 7.084 127.451 120.400 -0.055 0.000 2.217 67 D HA 0.469 5.095 4.640 -0.236 -0.128 0.243 67 D C -0.884 175.307 176.300 -0.182 0.000 1.054 67 D CA -1.495 52.415 54.000 -0.150 0.000 0.838 67 D CB 1.846 42.588 40.800 -0.097 0.000 1.162 67 D HN 0.382 8.759 8.370 0.012 0.000 0.472 68 L N 1.263 122.294 121.223 -0.320 0.000 2.490 68 L HA 0.479 4.734 4.340 -0.142 0.000 0.256 68 L C -0.314 176.429 176.870 -0.211 0.000 1.089 68 L CA -0.429 54.227 54.840 -0.307 0.000 0.916 68 L CB -0.850 40.830 42.059 -0.631 0.000 1.188 68 L HN 0.760 8.640 8.230 -0.403 0.108 0.476 69 T N 3.690 118.207 114.554 -0.061 0.000 2.706 69 T HA -0.166 4.204 4.350 0.033 0.000 0.255 69 T C 1.382 176.184 174.700 0.171 0.000 1.048 69 T CA 3.826 65.956 62.100 0.050 0.000 1.153 69 T CB 0.300 69.200 68.868 0.054 0.000 0.865 69 T HN 0.214 8.425 8.240 -0.049 0.000 0.414 70 D N -0.279 120.213 120.400 0.154 0.000 2.347 70 D HA -0.073 4.692 4.640 0.208 0.000 0.213 70 D C 0.466 176.883 176.300 0.195 0.000 0.985 70 D CA 1.772 55.879 54.000 0.179 0.000 0.879 70 D CB -0.330 40.557 40.800 0.145 0.000 0.919 70 D HN 0.329 8.767 8.370 0.113 0.000 0.526 71 E N -2.325 117.993 120.200 0.195 0.000 2.216 71 E HA -0.046 4.466 4.350 0.270 0.000 0.192 71 E C -0.354 176.504 176.600 0.429 0.000 0.988 71 E CA 1.954 58.522 56.400 0.281 0.000 0.834 71 E CB 0.115 29.962 29.700 0.246 0.000 0.772 71 E HN 0.240 8.627 8.360 0.137 0.055 0.479 72 W N -1.005 120.270 121.300 -0.041 0.000 2.363 72 W HA 0.346 5.000 4.660 -0.011 0.000 0.314 72 W C -0.072 176.530 176.519 0.139 0.000 0.994 72 W CA -1.517 55.773 57.345 -0.093 0.000 1.449 72 W CB -0.203 28.990 29.460 -0.445 0.000 1.248 72 W HN -0.870 7.475 8.180 0.324 0.029 0.409 73 R N 1.025 121.728 120.500 0.339 0.000 2.549 73 R HA 0.291 4.737 4.340 0.177 0.000 0.344 73 R C -0.571 175.816 176.300 0.145 0.000 0.979 73 R CA -0.608 55.608 56.100 0.193 0.000 1.140 73 R CB 1.929 32.295 30.300 0.109 0.000 1.377 73 R HN -0.226 8.253 8.270 0.349 0.000 0.541 74 S N 1.758 117.618 115.700 0.267 0.000 2.489 74 S HA 0.132 4.638 4.470 0.061 0.000 0.277 74 S C -0.246 174.484 174.600 0.218 0.000 1.230 74 S CA 0.620 58.895 58.200 0.125 0.000 1.053 74 S CB 0.580 63.688 63.200 -0.153 0.000 0.955 74 S HN -0.547 8.038 8.310 0.458 0.000 0.488 75 T N 2.486 117.134 114.554 0.158 0.000 3.056 75 T HA 0.003 4.540 4.350 0.311 0.000 0.243 75 T C 0.647 175.506 174.700 0.265 0.000 0.995 75 T CA 1.558 63.796 62.100 0.230 0.000 1.091 75 T CB 1.074 70.049 68.868 0.178 0.000 0.990 75 T HN 0.279 8.583 8.240 0.105 0.000 0.464 76 H N 1.404 120.533 119.070 0.098 0.000 2.512 76 H HA -0.018 4.635 4.556 0.161 0.000 0.279 76 H C -0.428 175.010 175.328 0.183 0.000 0.999 76 H CA 0.567 56.694 56.048 0.131 0.000 1.283 76 H CB 0.445 30.249 29.762 0.070 0.000 1.421 76 H HN -0.029 8.395 8.280 0.240 0.000 0.554 77 E N -0.545 119.668 120.200 0.021 0.000 2.318 77 E HA 0.056 4.310 4.350 -0.160 0.000 0.265 77 E C -1.076 175.250 176.600 -0.455 0.000 1.069 77 E CA -1.027 55.249 56.400 -0.208 0.000 0.893 77 E CB 1.146 30.666 29.700 -0.300 0.000 1.076 77 E HN -0.380 7.971 8.360 0.033 0.029 0.414 78 A N 1.094 123.447 122.820 -0.778 0.000 2.331 78 A HA 0.122 3.573 4.320 -1.448 0.000 0.283 78 A C -1.220 175.882 177.584 -0.804 0.000 1.142 78 A CA -0.332 50.982 52.037 -1.205 0.000 0.812 78 A CB 1.267 19.368 19.000 -1.498 0.000 1.074 78 A HN 0.139 7.931 8.150 -0.598 0.000 0.497 79 Y N 2.822 122.767 120.300 -0.593 0.000 2.880 79 Y HA 0.255 4.641 4.550 -0.483 -0.126 0.329 79 Y C -0.564 175.194 175.900 -0.237 0.000 1.156 79 Y CA -1.674 56.121 58.100 -0.509 0.000 1.348 79 Y CB -0.276 37.639 38.460 -0.908 0.000 1.280 79 Y HN 0.262 8.248 8.280 -0.489 0.000 0.516 80 V N 2.730 122.601 119.914 -0.071 0.000 2.421 80 V HA 0.104 4.411 4.120 0.094 -0.131 0.271 80 V C -0.127 176.047 176.094 0.134 0.000 1.031 80 V CA -0.329 61.993 62.300 0.037 0.000 1.032 80 V CB -0.779 31.025 31.823 -0.031 0.000 1.009 80 V HN -0.345 7.736 8.190 -0.183 0.000 0.477 81 T N 9.105 123.773 114.554 0.191 0.000 2.882 81 T HA 0.329 4.887 4.350 0.173 -0.104 0.287 81 T C -0.960 173.723 174.700 -0.027 0.000 0.992 81 T CA -0.502 61.648 62.100 0.083 0.000 1.076 81 T CB 1.213 70.023 68.868 -0.095 0.000 0.961 81 T HN 0.052 8.472 8.240 0.301 0.000 0.490 82 V N 3.867 123.747 119.914 -0.056 0.000 2.525 82 V HA 0.453 4.723 4.120 -0.006 -0.153 0.299 82 V C -2.408 173.619 176.094 -0.111 0.000 1.034 82 V CA -0.555 61.718 62.300 -0.046 0.000 0.863 82 V CB 2.634 34.460 31.823 0.005 0.000 0.999 82 V HN 1.153 9.233 8.190 -0.010 0.103 0.423 83 L N 8.048 129.226 121.223 -0.076 0.000 2.298 83 L HA 0.624 4.820 4.340 -0.240 0.000 0.284 83 L C -1.753 175.028 176.870 -0.148 0.000 1.013 83 L CA -1.203 53.563 54.840 -0.124 0.000 0.824 83 L CB 2.867 44.944 42.059 0.031 0.000 1.221 83 L HN 0.867 9.130 8.230 0.054 0.000 0.418 84 E N 7.094 127.076 120.200 -0.363 0.000 2.073 84 E HA 0.533 4.760 4.350 -0.558 -0.212 0.269 84 E C -0.565 175.258 176.600 -1.295 0.000 0.917 84 E CA -1.526 54.471 56.400 -0.672 0.000 0.757 84 E CB 1.525 30.941 29.700 -0.474 0.000 1.111 84 E HN -0.267 7.892 8.360 -0.335 0.000 0.410 85 G N 2.368 110.193 108.800 -1.626 0.000 2.322 85 G HA2 0.512 3.838 3.960 -1.056 0.000 0.309 85 G HA3 0.512 3.143 3.960 -2.216 0.000 0.309 85 G C -2.303 171.745 174.900 -1.419 0.000 1.121 85 G CA -0.935 43.176 45.100 -1.648 0.000 0.886 85 G HN 0.639 7.884 8.290 -1.741 0.000 0.447 86 F N 3.579 123.188 119.950 -0.569 0.000 2.444 86 F HA 0.477 4.947 4.527 -0.296 -0.121 0.342 86 F C -0.013 175.569 175.800 -0.363 0.000 1.121 86 F CA -2.206 55.565 58.000 -0.381 0.000 0.997 86 F CB 1.806 40.695 39.000 -0.185 0.000 1.130 86 F HN -0.332 7.419 8.300 -0.915 0.000 0.454 87 S N 5.229 120.924 115.700 -0.008 0.000 2.494 87 S HA 0.102 4.551 4.470 -0.035 0.000 0.312 87 S C 0.636 175.287 174.600 0.084 0.000 1.121 87 S CA 0.315 58.526 58.200 0.018 0.000 1.068 87 S CB -0.525 62.706 63.200 0.052 0.000 1.141 87 S HN 0.564 8.887 8.310 0.022 0.000 0.527 88 G N 8.471 117.354 108.800 0.138 0.000 5.452 88 G HA2 -0.479 3.585 3.960 0.172 0.000 0.310 88 G HA3 -0.479 3.539 3.960 0.096 0.000 0.310 88 G C -0.404 174.612 174.900 0.193 0.000 1.392 88 G CA 1.707 46.905 45.100 0.164 0.000 0.942 88 G HN 0.192 8.543 8.290 0.103 0.000 0.776 89 N N 2.945 121.713 118.700 0.113 0.000 2.110 89 N HA 0.242 5.001 4.740 0.033 0.000 0.230 89 N C -2.001 173.531 175.510 0.037 0.000 1.353 89 N CA 0.134 53.210 53.050 0.045 0.000 0.807 89 N CB 2.834 41.316 38.487 -0.009 0.000 1.244 89 N HN 0.068 8.468 8.380 0.093 0.036 0.504 90 T N 2.721 117.330 114.554 0.092 0.000 2.841 90 T HA 0.304 4.694 4.350 0.067 0.000 0.285 90 T C -1.266 173.527 174.700 0.155 0.000 0.991 90 T CA -0.719 61.435 62.100 0.091 0.000 0.966 90 T CB 2.729 71.633 68.868 0.060 0.000 0.962 90 T HN -0.631 7.678 8.240 0.115 0.000 0.438 91 T N 9.124 123.803 114.554 0.209 0.000 2.831 91 T HA -0.292 4.324 4.350 0.261 -0.110 0.291 91 T C -0.909 173.796 174.700 0.009 0.000 0.981 91 T CA 2.333 64.546 62.100 0.188 0.000 1.174 91 T CB 0.161 69.148 68.868 0.199 0.000 0.929 91 T HN 0.467 8.809 8.240 0.170 0.000 0.532 92 L N 7.654 128.798 121.223 -0.131 0.000 2.349 92 L HA 0.071 4.442 4.340 0.053 0.000 0.200 92 L C -1.454 175.458 176.870 0.071 0.000 1.064 92 L CA 0.635 55.473 54.840 -0.004 0.000 0.821 92 L CB 1.694 43.811 42.059 0.097 0.000 1.027 92 L HN 0.564 8.480 8.230 -0.339 0.110 0.476 93 F N -7.021 112.877 119.950 -0.087 0.000 2.601 93 F HA 0.357 4.854 4.527 -0.050 0.000 0.309 93 F C -1.824 173.905 175.800 -0.118 0.000 1.089 93 F CA -1.381 56.571 58.000 -0.080 0.000 0.940 93 F CB 2.017 40.976 39.000 -0.069 0.000 1.273 93 F HN -0.634 7.167 8.300 -0.831 0.000 0.450 94 S N 1.309 117.068 115.700 0.098 0.000 2.526 94 S HA 0.368 4.998 4.470 -0.060 -0.196 0.220 94 S C -0.762 173.920 174.600 0.136 0.000 1.159 94 S CA -0.425 57.793 58.200 0.031 0.000 1.196 94 S CB 0.411 63.604 63.200 -0.011 0.000 1.225 94 S HN 0.183 8.592 8.310 0.164 0.000 0.432 95 c N 2.762 121.513 118.600 0.252 0.000 2.642 95 c HA -0.019 4.675 4.570 0.206 0.000 0.420 95 c C -0.782 173.506 174.090 0.329 0.000 1.349 95 c CA 0.124 56.615 56.329 0.269 0.000 1.821 95 c CB -0.057 42.596 42.510 0.239 0.000 2.637 95 c HN 0.113 8.568 8.230 0.374 0.000 0.605 96 S N 2.736 118.634 115.700 0.330 0.000 2.566 96 S HA 0.885 5.651 4.470 0.247 -0.148 0.298 96 S C -0.704 174.221 174.600 0.542 0.000 1.083 96 S CA -1.659 56.730 58.200 0.315 0.000 0.978 96 S CB 2.653 65.957 63.200 0.174 0.000 1.073 96 S HN 0.186 8.677 8.310 0.303 0.000 0.491 97 H N 0.608 119.832 119.070 0.256 0.000 3.008 97 H HA 0.244 4.918 4.556 0.196 0.000 0.354 97 H C -2.019 173.423 175.328 0.190 0.000 1.252 97 H CA -0.479 55.737 56.048 0.280 0.000 1.117 97 H CB 4.457 34.567 29.762 0.581 0.000 1.857 97 H HN 0.769 9.256 8.280 0.345 0.000 0.547 98 N N 0.094 118.828 118.700 0.055 0.000 2.476 98 N HA 0.251 5.001 4.740 0.015 0.000 0.257 98 N C -1.364 174.074 175.510 -0.119 0.000 0.970 98 N CA -0.602 52.432 53.050 -0.027 0.000 0.938 98 N CB 0.563 39.012 38.487 -0.064 0.000 1.144 98 N HN 0.191 8.483 8.380 -0.148 0.000 0.500 99 F N 3.193 123.119 119.950 -0.040 0.000 2.538 99 F HA 0.215 4.863 4.527 0.201 0.000 0.325 99 F C -1.577 174.144 175.800 -0.132 0.000 1.066 99 F CA -0.470 57.571 58.000 0.068 0.000 0.946 99 F CB 4.507 43.623 39.000 0.193 0.000 1.199 99 F HN -0.590 7.809 8.300 0.164 0.000 0.473 100 W N 0.622 122.102 121.300 0.300 0.000 2.554 100 W HA 0.343 5.113 4.660 0.182 0.000 0.324 100 W C -0.507 176.166 176.519 0.257 0.000 1.018 100 W CA -0.914 56.553 57.345 0.204 0.000 1.243 100 W CB 1.759 31.274 29.460 0.092 0.000 1.345 100 W HN 0.232 8.756 8.180 0.572 0.000 0.441 101 L N 6.127 127.634 121.223 0.473 0.000 2.017 101 L HA -0.334 4.246 4.340 0.400 0.000 0.208 101 L C 1.010 178.102 176.870 0.370 0.000 1.073 101 L CA 2.983 58.078 54.840 0.426 0.000 0.745 101 L CB 0.204 42.547 42.059 0.473 0.000 0.894 101 L HN 0.626 9.118 8.230 0.436 0.000 0.432 102 A N -4.368 118.666 122.820 0.357 0.000 2.121 102 A HA -0.161 4.317 4.320 0.262 0.000 0.218 102 A C -0.071 177.599 177.584 0.144 0.000 1.154 102 A CA 1.887 54.061 52.037 0.228 0.000 0.679 102 A CB -0.053 19.028 19.000 0.135 0.000 0.795 102 A HN -0.220 8.173 8.150 0.406 0.000 0.458 103 I N -5.413 115.282 120.570 0.209 0.000 3.856 103 I HA 0.021 4.239 4.170 0.080 0.000 0.333 103 I C -1.341 174.889 176.117 0.188 0.000 1.525 103 I CA -0.377 61.005 61.300 0.138 0.000 1.173 103 I CB -0.775 37.258 38.000 0.054 0.000 1.175 103 I HN -0.861 7.376 8.210 0.329 0.170 0.424 104 D N 0.610 121.140 120.400 0.217 0.000 2.750 104 D HA 0.054 4.801 4.640 0.179 0.000 0.142 104 D C -0.833 175.560 176.300 0.156 0.000 1.370 104 D CA -0.154 53.965 54.000 0.199 0.000 1.563 104 D CB 2.338 43.289 40.800 0.252 0.000 1.697 104 D HN -0.514 7.909 8.370 0.228 0.084 0.188 105 M N -0.801 118.861 119.600 0.103 0.000 2.249 105 M HA -0.406 3.977 4.480 -0.162 0.000 0.198 105 M C -1.087 175.184 176.300 -0.048 0.000 0.394 105 M CA 0.391 55.680 55.300 -0.018 0.000 0.427 105 M CB -1.354 31.314 32.600 0.114 0.000 1.307 105 M HN -0.040 8.325 8.290 0.125 0.000 0.924 106 S N -0.130 115.541 115.700 -0.048 0.000 2.589 106 S HA -0.191 4.334 4.470 0.091 0.000 0.306 106 S C -0.705 173.832 174.600 -0.105 0.000 1.221 106 S CA 1.815 60.011 58.200 -0.007 0.000 1.159 106 S CB -0.236 62.968 63.200 0.005 0.000 0.990 106 S HN -0.398 8.196 8.310 -0.025 -0.298 0.514 107 F N 5.455 125.441 119.950 0.061 0.000 2.399 107 F HA 0.190 4.748 4.527 0.052 0.000 0.334 107 F C 0.251 176.095 175.800 0.074 0.000 1.097 107 F CA 0.582 58.625 58.000 0.073 0.000 1.076 107 F CB 2.868 41.940 39.000 0.120 0.000 1.162 107 F HN -0.187 8.295 8.300 0.303 0.000 0.495 108 E N 2.727 123.095 120.200 0.280 0.000 2.447 108 E HA 0.217 4.699 4.350 0.221 0.000 0.244 108 E C -1.793 174.918 176.600 0.185 0.000 1.098 108 E CA 0.801 57.321 56.400 0.199 0.000 1.724 108 E CB 0.372 30.140 29.700 0.114 0.000 3.247 108 E HN 0.307 8.848 8.360 0.302 0.000 1.055 109 P HA -0.064 4.381 4.420 0.041 0.000 0.216 109 P C -1.996 175.369 177.300 0.109 0.000 1.153 109 P CA 0.910 64.058 63.100 0.082 0.000 0.858 109 P CB -1.373 30.348 31.700 0.035 0.000 0.789 110 P HA -0.220 4.251 4.420 0.085 0.000 0.258 110 P C -0.917 176.438 177.300 0.091 0.000 1.172 110 P CA 0.250 63.414 63.100 0.107 0.000 0.762 110 P CB 0.225 31.971 31.700 0.077 0.000 0.764 111 E N 4.393 124.596 120.200 0.006 0.000 2.383 111 E HA -0.052 4.211 4.350 -0.144 0.000 0.264 111 E C -1.407 175.189 176.600 -0.006 0.000 1.050 111 E CA -0.065 56.295 56.400 -0.066 0.000 0.896 111 E CB 1.499 31.145 29.700 -0.090 0.000 0.982 111 E HN 0.235 8.591 8.360 -0.005 0.000 0.424 112 F N -0.669 119.213 119.950 -0.113 0.000 2.596 112 F HA 0.816 5.394 4.527 -0.127 -0.126 0.311 112 F C -2.320 173.448 175.800 -0.054 0.000 1.116 112 F CA -2.690 55.242 58.000 -0.113 0.000 0.957 112 F CB 3.120 42.031 39.000 -0.149 0.000 1.250 112 F HN -0.018 7.888 8.300 -0.657 0.000 0.444 113 E N 0.392 120.646 120.200 0.090 0.000 2.336 113 E HA 0.521 4.856 4.350 -0.024 0.000 0.267 113 E C -2.224 174.460 176.600 0.140 0.000 0.906 113 E CA -1.296 55.132 56.400 0.046 0.000 0.781 113 E CB 5.212 34.914 29.700 0.002 0.000 1.261 113 E HN 0.785 9.118 8.360 0.131 0.106 0.436 114 I N -3.252 117.396 120.570 0.129 0.000 2.512 114 I HA 0.780 5.267 4.170 0.214 -0.188 0.287 114 I C -1.060 175.154 176.117 0.162 0.000 1.069 114 I CA -1.422 60.003 61.300 0.209 0.000 1.056 114 I CB 2.137 40.353 38.000 0.360 0.000 1.229 114 I HN 0.429 8.678 8.210 0.065 0.000 0.429 115 V N 6.560 126.572 119.914 0.163 0.000 2.407 115 V HA 0.300 4.391 4.120 -0.048 0.000 0.278 115 V C -0.734 175.395 176.094 0.058 0.000 1.037 115 V CA -0.994 61.324 62.300 0.029 0.000 0.900 115 V CB 0.516 32.339 31.823 -0.001 0.000 0.983 115 V HN 0.886 9.097 8.190 0.202 0.100 0.459 116 G N 5.040 113.811 108.800 -0.048 0.000 2.356 116 G HA2 0.487 4.591 3.960 0.241 0.000 0.312 116 G HA3 0.487 4.535 3.960 0.147 0.000 0.312 116 G C -1.113 173.640 174.900 -0.244 0.000 1.096 116 G CA -0.854 44.281 45.100 0.058 0.000 0.950 116 G HN 0.121 8.331 8.290 -0.132 0.000 0.428 117 F N 6.039 125.913 119.950 -0.127 0.000 2.461 117 F HA 0.117 4.542 4.527 -0.169 0.000 0.332 117 F C 0.191 175.856 175.800 -0.225 0.000 1.073 117 F CA -0.512 57.319 58.000 -0.282 0.000 1.017 117 F CB 3.045 41.596 39.000 -0.748 0.000 1.301 117 F HN 0.130 8.493 8.300 0.105 0.000 0.492 118 T N -2.192 112.381 114.554 0.031 0.000 2.737 118 T HA -0.409 3.950 4.350 0.016 0.000 0.269 118 T C 0.250 174.954 174.700 0.007 0.000 1.040 118 T CA 3.242 65.352 62.100 0.017 0.000 1.142 118 T CB 0.124 69.014 68.868 0.038 0.000 0.861 118 T HN -0.066 8.241 8.240 0.111 0.000 0.456 119 N N -5.474 113.214 118.700 -0.021 0.000 2.167 119 N HA 0.036 4.795 4.740 0.031 0.000 0.234 119 N C -2.310 173.247 175.510 0.079 0.000 1.312 119 N CA -0.536 52.535 53.050 0.036 0.000 0.861 119 N CB 1.261 39.792 38.487 0.073 0.000 1.217 119 N HN -0.147 8.153 8.380 -0.109 0.014 0.504 120 H N -5.538 113.564 119.070 0.053 0.000 3.046 120 H HA 0.573 5.194 4.556 -0.064 -0.103 0.361 120 H C -2.595 172.758 175.328 0.043 0.000 1.235 120 H CA -1.456 54.585 56.048 -0.011 0.000 1.146 120 H CB 2.335 32.053 29.762 -0.073 0.000 1.859 120 H HN -0.750 7.408 8.280 -0.205 0.000 0.548 121 I N -0.209 120.386 120.570 0.041 0.000 2.354 121 I HA 0.232 4.531 4.170 0.009 -0.123 0.292 121 I C -1.355 174.809 176.117 0.078 0.000 0.989 121 I CA -1.095 60.163 61.300 -0.069 0.000 1.188 121 I CB 1.973 39.676 38.000 -0.496 0.000 1.342 121 I HN 0.941 9.029 8.210 -0.010 0.116 0.457 122 N N 8.313 127.151 118.700 0.230 0.000 2.609 122 N HA 0.346 5.174 4.740 0.147 0.000 0.234 122 N C -0.960 174.666 175.510 0.194 0.000 1.001 122 N CA -1.060 52.130 53.050 0.234 0.000 0.926 122 N CB 0.762 39.487 38.487 0.396 0.000 1.130 122 N HN 0.760 9.311 8.380 0.286 0.000 0.510 123 V N 4.636 124.646 119.914 0.160 0.000 2.498 123 V HA 0.054 4.293 4.120 0.198 0.000 0.279 123 V C -1.253 174.966 176.094 0.209 0.000 1.048 123 V CA 0.846 63.261 62.300 0.191 0.000 0.967 123 V CB 0.698 32.641 31.823 0.199 0.000 0.988 123 V HN 1.043 9.304 8.190 0.118 0.000 0.473 124 M N 9.255 128.965 119.600 0.184 0.000 2.031 124 M HA 0.540 5.353 4.480 0.205 -0.210 0.273 124 M C -2.187 174.191 176.300 0.131 0.000 0.904 124 M CA -1.301 54.100 55.300 0.169 0.000 0.963 124 M CB 2.910 35.592 32.600 0.137 0.000 1.707 124 M HN 0.954 9.353 8.290 0.182 0.000 0.427 125 V N 7.945 127.925 119.914 0.111 0.000 2.465 125 V HA 0.048 4.172 4.120 0.006 0.000 0.279 125 V C -1.050 174.981 176.094 -0.105 0.000 1.045 125 V CA -0.178 62.082 62.300 -0.066 0.000 0.938 125 V CB 1.034 32.653 31.823 -0.341 0.000 0.986 125 V HN 0.678 8.889 8.190 0.207 0.103 0.467 126 K N 7.570 127.881 120.400 -0.149 0.000 2.244 126 K HA 0.216 4.550 4.320 0.023 0.000 0.263 126 K C -1.217 175.322 176.600 -0.101 0.000 1.103 126 K CA -0.948 55.302 56.287 -0.062 0.000 0.966 126 K CB -1.170 31.322 32.500 -0.013 0.000 1.429 126 K HN 0.749 8.812 8.250 -0.132 0.108 0.434 127 F N 3.852 123.871 119.950 0.116 0.000 2.378 127 F HA 0.210 4.801 4.527 0.106 0.000 0.325 127 F C -1.441 174.435 175.800 0.126 0.000 1.097 127 F CA -2.106 55.961 58.000 0.111 0.000 1.079 127 F CB 0.397 39.456 39.000 0.099 0.000 1.240 127 F HN 0.431 8.745 8.300 0.190 0.100 0.519 128 P HA 0.002 4.555 4.420 0.222 0.000 0.270 128 P C -1.276 176.193 177.300 0.283 0.000 1.223 128 P CA -0.660 62.624 63.100 0.306 0.000 0.785 128 P CB 0.283 32.200 31.700 0.360 0.000 0.923 129 S N 0.423 116.255 115.700 0.219 0.000 3.024 129 S HA -0.003 4.702 4.470 0.147 -0.147 0.316 129 S C -0.394 174.311 174.600 0.176 0.000 1.197 129 S CA 0.300 58.600 58.200 0.168 0.000 1.097 129 S CB -0.763 62.512 63.200 0.125 0.000 1.471 129 S HN 0.083 8.510 8.310 0.195 0.000 0.543 130 I N 3.831 124.484 120.570 0.138 0.000 2.608 130 I HA 0.278 4.483 4.170 0.058 0.000 0.295 130 I C -2.080 174.026 176.117 -0.018 0.000 1.049 130 I CA -1.094 60.230 61.300 0.039 0.000 1.063 130 I CB 3.516 41.448 38.000 -0.115 0.000 1.248 130 I HN -0.437 7.836 8.210 0.134 0.018 0.424 131 V N 7.738 127.629 119.914 -0.039 0.000 2.508 131 V HA -0.016 4.091 4.120 -0.022 0.000 0.281 131 V C 0.797 176.851 176.094 -0.067 0.000 1.041 131 V CA 0.100 62.377 62.300 -0.038 0.000 1.016 131 V CB 0.514 32.322 31.823 -0.025 0.000 0.984 131 V HN 0.353 8.518 8.190 -0.041 0.000 0.478 132 E N 8.292 128.458 120.200 -0.057 0.000 2.209 132 E HA -0.391 3.913 4.350 -0.078 0.000 0.196 132 E C 1.512 178.077 176.600 -0.059 0.000 0.993 132 E CA 3.152 59.513 56.400 -0.064 0.000 0.819 132 E CB -0.641 29.024 29.700 -0.057 0.000 0.745 132 E HN 0.717 9.051 8.360 -0.044 0.000 0.477 133 E N -1.297 118.874 120.200 -0.049 0.000 2.338 133 E HA -0.170 4.156 4.350 -0.041 0.000 0.197 133 E C 0.774 177.344 176.600 -0.051 0.000 1.007 133 E CA 1.540 57.915 56.400 -0.043 0.000 0.849 133 E CB -0.469 29.213 29.700 -0.031 0.000 0.774 133 E HN 0.311 8.615 8.360 -0.044 0.030 0.506 134 E N -3.099 117.061 120.200 -0.066 0.000 2.501 134 E HA 0.135 4.447 4.350 -0.063 0.000 0.200 134 E C -1.151 175.380 176.600 -0.115 0.000 1.016 134 E CA -0.969 55.384 56.400 -0.079 0.000 0.921 134 E CB 0.618 30.274 29.700 -0.073 0.000 1.034 134 E HN -0.279 7.854 8.360 -0.071 0.184 0.468 135 L N 1.086 122.247 121.223 -0.103 0.000 2.272 135 L HA 0.174 4.456 4.340 -0.097 0.000 0.284 135 L C -0.625 176.199 176.870 -0.076 0.000 1.045 135 L CA -0.457 54.333 54.840 -0.084 0.000 0.842 135 L CB 0.246 42.269 42.059 -0.060 0.000 1.224 135 L HN -0.618 7.374 8.230 -0.084 0.188 0.430 136 Q N 5.800 125.491 119.800 -0.183 0.000 2.424 136 Q HA -0.138 4.129 4.340 -0.121 0.000 0.204 136 Q C 0.076 175.959 176.000 -0.194 0.000 0.933 136 Q CA 0.502 56.170 55.803 -0.225 0.000 0.929 136 Q CB 0.390 28.933 28.738 -0.325 0.000 1.037 136 Q HN 0.185 8.304 8.270 -0.252 0.000 0.511 137 F N -0.115 119.880 119.950 0.075 0.000 2.651 137 F HA -0.043 4.579 4.527 0.158 0.000 0.347 137 F C -0.877 174.992 175.800 0.114 0.000 1.284 137 F CA -0.526 57.552 58.000 0.130 0.000 1.175 137 F CB -1.368 37.737 39.000 0.175 0.000 1.542 137 F HN -0.514 7.706 8.300 -0.046 0.052 0.661 138 D N 4.230 124.780 120.400 0.250 0.000 2.359 138 D HA 0.026 4.728 4.640 0.104 0.000 0.250 138 D C -1.491 174.937 176.300 0.215 0.000 1.264 138 D CA 0.265 54.367 54.000 0.170 0.000 0.911 138 D CB -0.061 40.812 40.800 0.122 0.000 1.056 138 D HN -0.148 8.329 8.370 0.223 0.027 0.499 139 L N -0.233 121.076 121.223 0.144 0.000 2.409 139 L HA 0.569 5.010 4.340 0.169 0.000 0.262 139 L C -1.142 175.742 176.870 0.024 0.000 0.992 139 L CA -1.687 53.237 54.840 0.141 0.000 0.817 139 L CB 3.125 45.319 42.059 0.224 0.000 1.350 139 L HN -0.688 7.602 8.230 0.100 0.000 0.411 140 S N 0.960 116.664 115.700 0.007 0.000 2.452 140 S HA 0.238 4.685 4.470 -0.037 0.000 0.284 140 S C -0.965 173.605 174.600 -0.051 0.000 1.171 140 S CA -0.788 57.394 58.200 -0.030 0.000 1.064 140 S CB 1.129 64.306 63.200 -0.038 0.000 0.967 140 S HN 0.275 8.610 8.310 0.041 0.000 0.484 141 L N 7.124 128.294 121.223 -0.088 0.000 2.257 141 L HA 0.220 4.561 4.340 -0.189 -0.115 0.290 141 L C -1.382 175.290 176.870 -0.331 0.000 1.044 141 L CA -0.526 54.199 54.840 -0.193 0.000 0.810 141 L CB 0.649 42.610 42.059 -0.163 0.000 1.193 141 L HN 0.621 8.825 8.230 -0.043 0.000 0.425 142 V N 7.399 126.995 119.914 -0.530 0.000 2.409 142 V HA 0.379 4.348 4.120 -0.479 -0.137 0.291 142 V C -0.943 174.664 176.094 -0.811 0.000 1.020 142 V CA -1.519 60.357 62.300 -0.707 0.000 0.848 142 V CB 2.141 33.410 31.823 -0.923 0.000 0.990 142 V HN 1.085 8.838 8.190 -0.552 0.106 0.430 143 I N 3.316 123.582 120.570 -0.507 0.000 2.297 143 I HA 0.659 4.794 4.170 -0.385 -0.196 0.291 143 I C -0.733 175.330 176.117 -0.091 0.000 1.033 143 I CA -3.024 58.076 61.300 -0.333 0.000 1.253 143 I CB -1.150 36.680 38.000 -0.284 0.000 1.396 143 I HN 0.757 8.707 8.210 -0.433 0.000 0.476 144 E N 8.578 128.773 120.200 -0.009 0.000 2.194 144 E HA 0.042 4.621 4.350 0.179 -0.122 0.284 144 E C -1.377 175.327 176.600 0.173 0.000 1.035 144 E CA -0.491 56.007 56.400 0.164 0.000 0.836 144 E CB 1.613 31.485 29.700 0.286 0.000 1.070 144 E HN 0.727 9.053 8.360 -0.057 0.000 0.401 145 E N 8.603 128.945 120.200 0.237 0.000 2.158 145 E HA 0.329 4.944 4.350 0.225 -0.130 0.271 145 E C -2.154 174.566 176.600 0.201 0.000 0.911 145 E CA -1.693 54.848 56.400 0.235 0.000 0.767 145 E CB 3.398 33.247 29.700 0.248 0.000 1.120 145 E HN 0.964 9.381 8.360 0.276 0.109 0.405 146 Q N 9.031 128.949 119.800 0.197 0.000 2.607 146 Q HA 0.658 5.274 4.340 0.132 -0.197 0.247 146 Q C -0.901 175.205 176.000 0.177 0.000 1.033 146 Q CA -1.824 54.071 55.803 0.154 0.000 0.769 146 Q CB 1.698 30.506 28.738 0.116 0.000 1.169 146 Q HN 0.052 8.355 8.270 0.229 0.104 0.508 147 S N 6.301 122.103 115.700 0.170 0.000 2.422 147 S HA 0.430 5.276 4.470 0.232 -0.236 0.298 147 S C 0.596 175.264 174.600 0.113 0.000 1.118 147 S CA -0.346 57.960 58.200 0.177 0.000 1.083 147 S CB 1.397 64.691 63.200 0.157 0.000 0.971 147 S HN 0.339 8.857 8.310 0.149 -0.119 0.478 148 E N 5.758 126.016 120.200 0.097 0.000 2.883 148 E HA -0.460 3.922 4.350 0.052 0.000 0.271 148 E C -0.151 176.480 176.600 0.051 0.000 1.049 148 E CA 1.364 57.802 56.400 0.063 0.000 0.817 148 E CB -1.271 28.463 29.700 0.057 0.000 1.407 148 E HN 1.077 9.502 8.360 0.109 0.000 0.434 149 G N -4.713 104.122 108.800 0.058 0.000 2.218 149 G HA2 -0.425 3.624 3.960 0.044 0.000 0.216 149 G HA3 -0.425 3.558 3.960 0.037 0.000 0.216 149 G C -0.682 174.248 174.900 0.050 0.000 0.994 149 G CA -0.098 45.030 45.100 0.046 0.000 0.637 149 G HN -0.140 8.316 8.290 0.072 -0.123 0.505 150 I N 3.670 124.276 120.570 0.060 0.000 2.347 150 I HA -0.103 4.094 4.170 0.045 0.000 0.294 150 I C -0.795 175.365 176.117 0.071 0.000 1.090 150 I CA 0.462 61.797 61.300 0.058 0.000 1.314 150 I CB 0.044 38.081 38.000 0.061 0.000 1.423 150 I HN -0.030 8.030 8.210 0.068 0.191 0.503 151 V N 8.541 128.489 119.914 0.056 0.000 2.372 151 V HA 0.044 4.345 4.120 0.085 -0.130 0.261 151 V C -0.884 175.238 176.094 0.047 0.000 1.055 151 V CA -0.479 61.859 62.300 0.062 0.000 0.930 151 V CB -1.368 30.483 31.823 0.047 0.000 1.031 151 V HN 0.373 8.589 8.190 0.044 0.000 0.479 152 K N 9.026 129.462 120.400 0.061 0.000 2.463 152 K HA 0.386 4.677 4.320 -0.049 0.000 0.255 152 K C -1.763 174.805 176.600 -0.054 0.000 0.942 152 K CA -1.627 54.644 56.287 -0.026 0.000 0.814 152 K CB 3.169 35.647 32.500 -0.037 0.000 1.122 152 K HN 1.019 9.220 8.250 0.107 0.113 0.425 153 K N 7.013 127.356 120.400 -0.095 0.000 2.227 153 K HA 0.117 4.483 4.320 0.076 0.000 0.280 153 K C -1.046 175.428 176.600 -0.210 0.000 1.041 153 K CA -0.643 55.626 56.287 -0.029 0.000 0.905 153 K CB 0.574 33.137 32.500 0.104 0.000 1.068 153 K HN 0.500 8.696 8.250 -0.090 0.000 0.470 154 H N 5.659 124.704 119.070 -0.042 0.000 2.587 154 H HA 0.278 4.828 4.556 -0.010 0.000 0.325 154 H C -1.522 173.662 175.328 -0.239 0.000 1.012 154 H CA -0.449 55.554 56.048 -0.076 0.000 1.213 154 H CB 2.070 31.851 29.762 0.031 0.000 1.431 154 H HN 0.555 8.780 8.280 0.094 0.112 0.492 155 K N 5.907 126.251 120.400 -0.092 0.000 2.473 155 K HA 0.555 4.746 4.320 -0.215 0.000 0.246 155 K C -2.011 174.529 176.600 -0.099 0.000 1.011 155 K CA -3.123 53.082 56.287 -0.138 0.000 0.984 155 K CB -0.372 32.072 32.500 -0.093 0.000 1.250 155 K HN 0.261 8.488 8.250 -0.038 0.000 0.454 156 P HA 0.141 4.552 4.420 -0.016 0.000 0.328 156 P C -1.314 175.990 177.300 0.006 0.000 1.305 156 P CA -1.366 61.702 63.100 -0.054 0.000 0.745 156 P CB 0.729 32.367 31.700 -0.104 0.000 1.462 157 E N 0.811 121.013 120.200 0.003 0.000 2.229 157 E HA 0.057 4.397 4.350 -0.016 0.000 0.283 157 E C -0.214 176.359 176.600 -0.045 0.000 1.030 157 E CA -0.353 56.034 56.400 -0.022 0.000 0.836 157 E CB 0.252 29.932 29.700 -0.034 0.000 1.068 157 E HN 0.034 8.397 8.360 0.005 0.000 0.401 158 I N 1.984 122.539 120.570 -0.024 0.000 3.578 158 I HA -0.025 4.140 4.170 -0.008 0.000 0.295 158 I C 0.620 176.683 176.117 -0.090 0.000 1.280 158 I CA -0.962 60.322 61.300 -0.027 0.000 1.347 158 I CB -0.185 37.817 38.000 0.003 0.000 1.051 158 I HN 0.328 8.525 8.210 -0.021 0.000 0.460 159 K N 2.506 122.857 120.400 -0.083 0.000 2.366 159 K HA -0.224 4.055 4.320 -0.068 0.000 0.279 159 K C 0.390 176.928 176.600 -0.102 0.000 1.098 159 K CA 1.455 57.695 56.287 -0.079 0.000 1.087 159 K CB -1.209 31.254 32.500 -0.062 0.000 0.901 159 K HN -0.100 8.047 8.250 -0.069 0.061 0.463 160 G N 4.993 113.736 108.800 -0.096 0.000 2.179 160 G HA2 -0.415 3.571 3.960 -0.078 0.000 0.257 160 G HA3 -0.415 3.495 3.960 -0.083 0.000 0.257 160 G C -0.005 174.811 174.900 -0.139 0.000 1.010 160 G CA 0.543 45.586 45.100 -0.096 0.000 0.736 160 G HN 0.442 8.682 8.290 -0.084 0.000 0.513 161 N N -0.395 118.184 118.700 -0.202 0.000 2.368 161 N HA 0.067 4.595 4.740 -0.352 0.000 0.178 161 N C -0.022 175.390 175.510 -0.164 0.000 1.076 161 N CA 0.765 53.593 53.050 -0.370 0.000 0.889 161 N CB 1.251 39.270 38.487 -0.779 0.000 1.040 161 N HN 0.029 8.159 8.380 -0.172 0.146 0.463 162 M N 0.108 119.639 119.600 -0.115 0.000 2.530 162 M HA 0.053 4.474 4.480 -0.099 0.000 0.231 162 M C -0.661 175.589 176.300 -0.083 0.000 1.180 162 M CA 0.632 55.807 55.300 -0.209 0.000 0.985 162 M CB -0.014 32.296 32.600 -0.483 0.000 1.623 162 M HN -0.969 7.237 8.290 -0.141 0.000 0.475 163 S N -2.491 113.205 115.700 -0.006 0.000 2.558 163 S HA 0.152 4.775 4.470 0.016 -0.143 0.217 163 S C 0.232 174.895 174.600 0.106 0.000 0.975 163 S CA 1.032 59.250 58.200 0.029 0.000 0.912 163 S CB 0.444 63.642 63.200 -0.004 0.000 0.776 163 S HN 0.006 8.193 8.310 -0.030 0.105 0.526 164 G N -0.547 108.360 108.800 0.178 0.000 2.680 164 G HA2 -0.031 4.233 3.960 0.224 0.000 0.092 164 G HA3 -0.031 4.010 3.960 0.135 0.000 0.092 164 G C -3.335 171.713 174.900 0.245 0.000 1.097 164 G CA 0.579 45.799 45.100 0.200 0.000 1.368 164 G HN -0.759 7.594 8.290 0.200 0.058 0.619 165 N N 2.662 121.461 118.700 0.164 0.000 2.439 165 N HA 0.484 5.588 4.740 0.171 -0.261 0.243 165 N C -0.834 174.796 175.510 0.200 0.000 1.088 165 N CA -1.312 51.837 53.050 0.164 0.000 0.940 165 N CB -0.228 38.325 38.487 0.110 0.000 1.180 165 N HN -0.105 8.347 8.380 0.119 0.000 0.505 166 F N 7.641 127.675 119.950 0.140 0.000 2.490 166 F HA 0.152 4.932 4.527 0.142 -0.169 0.357 166 F C -0.480 175.386 175.800 0.111 0.000 1.166 166 F CA -0.600 57.487 58.000 0.145 0.000 1.116 166 F CB 0.346 39.465 39.000 0.198 0.000 1.171 166 F HN 0.562 8.997 8.300 0.389 0.098 0.576 167 T N 10.726 125.427 114.554 0.245 0.000 2.749 167 T HA 0.516 5.279 4.350 0.270 -0.250 0.287 167 T C -1.413 173.485 174.700 0.331 0.000 0.970 167 T CA -0.966 61.279 62.100 0.242 0.000 0.980 167 T CB 0.797 69.730 68.868 0.109 0.000 0.924 167 T HN -0.107 8.149 8.240 0.027 0.000 0.456 168 Y N 8.652 129.065 120.300 0.189 0.000 2.421 168 Y HA 0.210 4.819 4.550 0.098 0.000 0.339 168 Y C -2.785 173.137 175.900 0.037 0.000 0.996 168 Y CA -1.108 57.069 58.100 0.130 0.000 1.046 168 Y CB 3.656 42.232 38.460 0.193 0.000 1.226 168 Y HN 0.477 8.968 8.280 0.351 0.000 0.445 169 I N 7.148 127.421 120.570 -0.495 0.000 2.359 169 I HA 0.649 4.931 4.170 -0.233 -0.252 0.284 169 I C -0.770 174.974 176.117 -0.621 0.000 1.018 169 I CA -2.642 58.411 61.300 -0.411 0.000 1.173 169 I CB -0.014 37.819 38.000 -0.280 0.000 1.326 169 I HN 0.179 8.051 8.210 -0.564 0.000 0.462 170 I N 8.590 128.859 120.570 -0.500 0.000 2.342 170 I HA 0.096 3.952 4.170 -0.522 0.000 0.291 170 I C -1.145 174.843 176.117 -0.215 0.000 1.010 170 I CA -0.096 60.938 61.300 -0.443 0.000 1.308 170 I CB 0.626 38.347 38.000 -0.466 0.000 1.400 170 I HN 0.552 8.546 8.210 -0.360 0.000 0.488 171 D N 6.534 126.848 120.400 -0.144 0.000 2.846 171 D HA 0.262 4.888 4.640 -0.022 0.000 0.273 171 D C -0.267 176.021 176.300 -0.019 0.000 1.145 171 D CA -1.991 51.977 54.000 -0.053 0.000 1.091 171 D CB 2.639 43.407 40.800 -0.053 0.000 1.364 171 D HN 0.186 8.463 8.370 -0.155 0.000 0.613 172 K N -2.573 117.827 120.400 0.000 0.000 3.251 172 K HA -0.351 3.976 4.320 0.012 0.000 0.282 172 K C -1.243 175.369 176.600 0.020 0.000 1.201 172 K CA 0.827 57.121 56.287 0.013 0.000 0.827 172 K CB -0.958 31.554 32.500 0.020 0.000 1.286 172 K HN 0.242 8.494 8.250 0.003 0.000 0.503 173 L N -3.347 117.887 121.223 0.018 0.000 2.260 173 L HA 0.298 4.654 4.340 0.027 0.000 0.265 173 L C -1.344 175.541 176.870 0.026 0.000 1.015 173 L CA -1.358 53.496 54.840 0.023 0.000 0.826 173 L CB 3.048 45.116 42.059 0.014 0.000 1.373 173 L HN -0.329 7.888 8.230 0.017 0.023 0.450 174 I N -6.656 113.932 120.570 0.030 0.000 2.797 174 I HA 0.668 4.854 4.170 0.027 0.000 0.307 174 I C -2.630 173.506 176.117 0.033 0.000 1.033 174 I CA -4.072 57.245 61.300 0.029 0.000 1.071 174 I CB 0.658 38.673 38.000 0.025 0.000 1.255 174 I HN -0.132 8.098 8.210 0.033 0.000 0.445 175 P HA -0.117 4.322 4.420 0.032 0.000 0.267 175 P C -0.368 176.951 177.300 0.030 0.000 1.201 175 P CA 0.813 63.931 63.100 0.029 0.000 0.775 175 P CB 0.219 31.932 31.700 0.023 0.000 0.854 176 N N 0.718 119.438 118.700 0.033 0.000 2.688 176 N HA -0.350 4.406 4.740 0.027 0.000 0.261 176 N C -1.578 173.960 175.510 0.047 0.000 1.116 176 N CA 1.280 54.348 53.050 0.031 0.000 0.689 176 N CB -1.028 37.469 38.487 0.018 0.000 0.882 176 N HN 0.008 8.408 8.380 0.033 0.000 0.554 177 T N -1.837 112.763 114.554 0.077 0.000 3.296 177 T HA 0.217 4.616 4.350 0.083 0.000 0.333 177 T C -0.607 174.198 174.700 0.175 0.000 1.280 177 T CA -2.196 59.969 62.100 0.109 0.000 1.558 177 T CB 0.809 69.743 68.868 0.111 0.000 0.929 177 T HN -0.373 7.917 8.240 0.084 0.000 0.596 178 N N 3.248 122.003 118.700 0.092 0.000 2.411 178 N HA -0.126 4.782 4.740 -0.033 -0.189 0.261 178 N C -1.083 174.484 175.510 0.095 0.000 1.248 178 N CA 0.196 53.261 53.050 0.025 0.000 0.885 178 N CB 0.232 38.701 38.487 -0.030 0.000 1.062 178 N HN -0.103 8.312 8.380 0.058 0.000 0.471 179 Y N -1.843 118.473 120.300 0.027 0.000 2.425 179 Y HA 0.928 5.742 4.550 0.046 -0.236 0.344 179 Y C -1.353 174.578 175.900 0.051 0.000 0.969 179 Y CA -3.769 54.357 58.100 0.044 0.000 1.052 179 Y CB 1.916 40.407 38.460 0.051 0.000 1.215 179 Y HN 0.401 8.378 8.280 -0.504 0.000 0.451 180 c N 4.277 122.969 118.600 0.154 0.000 2.239 180 c HA 0.622 5.389 4.570 0.044 -0.171 0.323 180 c C -0.234 173.969 174.090 0.189 0.000 1.205 180 c CA -1.061 55.334 56.329 0.111 0.000 1.584 180 c CB -0.622 41.934 42.510 0.077 0.000 2.201 180 c HN 0.501 8.725 8.230 0.191 0.121 0.475 181 V N 10.794 130.842 119.914 0.224 0.000 2.439 181 V HA 0.778 5.296 4.120 0.175 -0.293 0.282 181 V C -0.950 175.203 176.094 0.099 0.000 1.039 181 V CA -0.674 61.740 62.300 0.190 0.000 0.913 181 V CB 2.241 34.202 31.823 0.230 0.000 0.983 181 V HN 1.019 9.336 8.190 0.210 0.000 0.460 182 S N 7.062 122.768 115.700 0.009 0.000 2.502 182 S HA 0.395 4.780 4.470 -0.141 0.000 0.304 182 S C -1.078 173.388 174.600 -0.223 0.000 1.097 182 S CA -1.820 56.334 58.200 -0.076 0.000 1.045 182 S CB 1.386 64.631 63.200 0.075 0.000 1.019 182 S HN 0.804 9.029 8.310 0.046 0.113 0.481 183 V N 6.007 125.635 119.914 -0.476 0.000 2.320 183 V HA 0.100 3.951 4.120 -0.448 0.000 0.265 183 V C -0.867 175.135 176.094 -0.154 0.000 1.048 183 V CA -0.030 61.997 62.300 -0.455 0.000 0.865 183 V CB -0.624 30.774 31.823 -0.709 0.000 1.043 183 V HN 0.253 8.047 8.190 -0.660 0.000 0.474 184 Y N 5.346 125.563 120.300 -0.137 0.000 2.598 184 Y HA 0.823 5.544 4.550 -0.008 -0.176 0.340 184 Y C -2.574 173.312 175.900 -0.024 0.000 1.038 184 Y CA -3.398 54.676 58.100 -0.044 0.000 1.100 184 Y CB 3.317 41.764 38.460 -0.022 0.000 1.281 184 Y HN 0.702 8.743 8.280 -0.399 0.000 0.488 185 L N -5.961 115.450 121.223 0.312 0.000 2.230 185 L HA 1.136 5.679 4.340 0.036 -0.181 0.255 185 L C -1.432 175.622 176.870 0.307 0.000 1.039 185 L CA -1.841 53.119 54.840 0.200 0.000 0.846 185 L CB 4.250 46.419 42.059 0.184 0.000 1.419 185 L HN 0.201 8.667 8.230 0.393 0.000 0.435 186 E N -6.155 114.175 120.200 0.216 0.000 2.331 186 E HA 0.384 4.866 4.350 0.220 0.000 0.263 186 E C -2.220 174.510 176.600 0.217 0.000 1.224 186 E CA 0.127 56.657 56.400 0.217 0.000 0.898 186 E CB 1.792 31.622 29.700 0.216 0.000 1.591 186 E HN -0.174 8.280 8.360 0.158 0.000 0.463 187 H N -0.137 118.989 119.070 0.093 0.000 4.156 187 H HA 0.420 5.021 4.556 0.076 0.000 0.114 187 H C -0.507 174.854 175.328 0.054 0.000 1.220 187 H CA 0.921 57.015 56.048 0.077 0.000 0.976 187 H CB 2.478 32.293 29.762 0.090 0.000 1.136 187 H HN -0.174 8.239 8.280 0.221 0.000 0.197 188 S N -0.993 114.881 115.700 0.290 0.000 2.749 188 S HA 0.159 4.692 4.470 0.104 0.000 0.246 188 S C -1.357 173.300 174.600 0.096 0.000 1.023 188 S CA 0.819 59.116 58.200 0.163 0.000 1.012 188 S CB 0.580 63.897 63.200 0.194 0.000 0.942 188 S HN 0.199 8.716 8.310 0.345 0.000 0.531 189 D N 0.710 121.169 120.400 0.098 0.000 2.769 189 D HA 0.043 4.709 4.640 0.044 0.000 0.219 189 D C -1.204 175.136 176.300 0.066 0.000 1.245 189 D CA -0.276 53.759 54.000 0.059 0.000 0.801 189 D CB 1.940 42.761 40.800 0.035 0.000 1.598 189 D HN -0.786 7.592 8.370 0.134 0.072 0.485 190 E N 2.194 122.418 120.200 0.040 0.000 2.489 190 E HA -0.023 4.365 4.350 0.063 0.000 0.193 190 E C 0.756 177.348 176.600 -0.013 0.000 1.057 190 E CA 0.407 56.822 56.400 0.026 0.000 0.866 190 E CB 0.213 29.918 29.700 0.008 0.000 0.916 190 E HN 0.493 8.869 8.360 0.026 0.000 0.500 191 Q N -1.602 118.198 119.800 0.000 0.000 2.472 191 Q HA -0.140 4.182 4.340 -0.029 0.000 0.208 191 Q C 0.415 176.418 176.000 0.004 0.000 0.958 191 Q CA 0.788 56.585 55.803 -0.010 0.000 0.932 191 Q CB 0.089 28.823 28.738 -0.008 0.000 1.007 191 Q HN -0.525 7.943 8.270 0.013 -0.190 0.508 192 A N -1.014 121.826 122.820 0.032 0.000 2.577 192 A HA 0.171 4.527 4.320 0.060 0.000 0.280 192 A C -0.403 177.223 177.584 0.070 0.000 1.331 192 A CA -0.882 51.196 52.037 0.068 0.000 0.935 192 A CB 0.530 19.597 19.000 0.112 0.000 1.082 192 A HN -0.634 7.462 8.150 0.041 0.078 0.525 193 V N -1.839 118.056 119.914 -0.032 0.000 2.356 193 V HA 0.032 4.298 4.120 -0.047 -0.175 0.244 193 V C -0.907 175.153 176.094 -0.057 0.000 1.120 193 V CA -0.426 61.771 62.300 -0.172 0.000 1.181 193 V CB -1.876 29.623 31.823 -0.540 0.000 1.244 193 V HN -0.736 7.329 8.190 -0.060 0.089 0.487 194 I N 8.201 128.834 120.570 0.105 0.000 2.278 194 I HA -0.063 4.153 4.170 0.075 0.000 0.300 194 I C -1.354 174.850 176.117 0.146 0.000 1.174 194 I CA -1.737 59.637 61.300 0.123 0.000 1.347 194 I CB -2.932 35.170 38.000 0.170 0.000 1.473 194 I HN -0.053 8.271 8.210 0.192 0.000 0.595 195 K N 8.018 128.463 120.400 0.075 0.000 2.339 195 K HA -0.083 4.333 4.320 0.160 0.000 0.286 195 K C -0.607 176.048 176.600 0.091 0.000 1.050 195 K CA 0.193 56.534 56.287 0.089 0.000 0.956 195 K CB 0.624 33.140 32.500 0.027 0.000 0.990 195 K HN -0.462 7.801 8.250 0.021 0.000 0.475 196 S N 5.799 121.552 115.700 0.089 0.000 2.687 196 S HA 0.240 4.789 4.470 0.132 0.000 0.283 196 S C -1.597 173.107 174.600 0.173 0.000 1.170 196 S CA -2.178 56.098 58.200 0.128 0.000 1.008 196 S CB -0.014 63.256 63.200 0.116 0.000 1.026 196 S HN 0.007 8.356 8.310 0.064 0.000 0.541 197 P HA -0.078 4.414 4.420 0.120 0.000 0.255 197 P C -1.600 175.859 177.300 0.265 0.000 1.173 197 P CA 0.167 63.378 63.100 0.185 0.000 0.780 197 P CB -0.122 31.655 31.700 0.127 0.000 0.758 198 L N 2.302 123.628 121.223 0.171 0.000 2.562 198 L HA -0.253 4.396 4.340 0.209 -0.184 0.271 198 L C 0.495 177.457 176.870 0.153 0.000 1.167 198 L CA 0.306 55.248 54.840 0.169 0.000 0.917 198 L CB -0.565 41.557 42.059 0.105 0.000 1.187 198 L HN -0.027 8.275 8.230 0.121 0.000 0.482 199 K N 6.039 126.576 120.400 0.227 0.000 2.248 199 K HA 0.107 4.444 4.320 0.028 0.000 0.281 199 K C -1.785 174.825 176.600 0.016 0.000 1.054 199 K CA -0.425 55.924 56.287 0.104 0.000 0.903 199 K CB 0.824 33.402 32.500 0.130 0.000 1.077 199 K HN 0.221 8.691 8.250 0.367 0.000 0.474 200 c N 6.851 125.410 118.600 -0.069 0.000 2.255 200 c HA 0.838 5.478 4.570 -0.194 -0.186 0.326 200 c C -0.215 173.706 174.090 -0.281 0.000 1.258 200 c CA -0.959 55.272 56.329 -0.164 0.000 1.676 200 c CB 0.115 42.565 42.510 -0.100 0.000 2.314 200 c HN 0.787 8.981 8.230 -0.059 0.000 0.509 201 T N 8.466 122.672 114.554 -0.581 0.000 2.807 201 T HA 0.268 4.420 4.350 -0.330 0.000 0.279 201 T C -2.095 172.262 174.700 -0.572 0.000 0.993 201 T CA -0.427 61.325 62.100 -0.581 0.000 0.970 201 T CB 2.448 70.950 68.868 -0.610 0.000 0.950 201 T HN 0.921 8.643 8.240 -0.864 0.000 0.441 202 L N 6.262 127.330 121.223 -0.260 0.000 2.265 202 L HA 0.435 4.712 4.340 -0.104 0.000 0.289 202 L C -1.459 175.377 176.870 -0.055 0.000 1.033 202 L CA -1.166 53.600 54.840 -0.125 0.000 0.814 202 L CB 1.408 43.416 42.059 -0.085 0.000 1.203 202 L HN 0.090 8.193 8.230 -0.211 0.000 0.423 203 L N 2.755 124.001 121.223 0.038 0.000 2.421 203 L HA 0.529 4.859 4.340 -0.017 0.000 0.263 203 L C -1.812 175.062 176.870 0.008 0.000 1.122 203 L CA -3.316 51.546 54.840 0.037 0.000 0.804 203 L CB -1.336 40.792 42.059 0.115 0.000 1.150 203 L HN -0.090 8.199 8.230 0.098 0.000 0.457 204 P HA 0.001 4.411 4.420 -0.016 0.000 0.252 204 P C -2.204 175.100 177.300 0.006 0.000 1.147 204 P CA -0.234 62.861 63.100 -0.008 0.000 0.779 204 P CB -0.865 30.832 31.700 -0.006 0.000 0.733 205 P HA 0.064 4.618 4.420 0.013 -0.126 0.278 205 P C -0.684 176.621 177.300 0.008 0.000 1.238 205 P CA -0.471 62.633 63.100 0.007 0.000 0.794 205 P CB 1.038 32.738 31.700 0.000 0.000 0.955 206 G N -1.492 107.313 108.800 0.009 0.000 4.547 206 G HA2 0.039 4.004 3.960 0.009 0.000 0.301 206 G HA3 0.039 4.005 3.960 0.011 0.000 0.301 206 G C -0.755 174.144 174.900 -0.001 0.000 1.240 206 G CA -0.185 44.919 45.100 0.007 0.000 0.970 206 G HN 0.042 8.338 8.290 0.010 0.000 0.574 207 Q N -1.612 118.185 119.800 -0.006 0.000 2.302 207 Q HA 0.118 4.446 4.340 -0.020 0.000 0.332 207 Q C -0.858 175.126 176.000 -0.026 0.000 0.913 207 Q CA -1.162 54.631 55.803 -0.016 0.000 1.098 207 Q CB 0.433 29.164 28.738 -0.013 0.000 1.236 207 Q HN -0.336 7.870 8.270 -0.003 0.062 0.436 208 E N 0.880 121.065 120.200 -0.025 0.000 3.099 208 E HA 0.173 4.508 4.350 -0.026 0.000 0.259 208 E C -0.377 176.177 176.600 -0.078 0.000 1.274 208 E CA -1.340 55.043 56.400 -0.030 0.000 1.111 208 E CB 0.482 30.182 29.700 -0.000 0.000 1.327 208 E HN -0.052 8.218 8.360 -0.017 0.080 0.652 209 S N 0.370 116.015 115.700 -0.093 0.000 2.546 209 S HA -0.194 4.100 4.470 -0.293 0.000 0.290 209 S C -1.200 173.149 174.600 -0.419 0.000 1.290 209 S CA 0.985 59.019 58.200 -0.276 0.000 1.069 209 S CB 0.432 63.521 63.200 -0.184 0.000 0.846 209 S HN -0.112 8.181 8.310 -0.029 0.000 0.495 210 E N 3.497 123.355 120.200 -0.570 0.000 2.134 210 E HA 0.375 4.580 4.350 -0.242 0.000 0.278 210 E C -1.074 175.135 176.600 -0.652 0.000 0.959 210 E CA -0.356 55.791 56.400 -0.421 0.000 0.783 210 E CB 0.744 30.307 29.700 -0.229 0.000 1.095 210 E HN 0.291 8.314 8.360 -0.561 0.000 0.399 211 F N 2.506 122.458 119.950 0.004 0.000 3.043 211 F HA 0.283 4.811 4.527 0.003 0.000 0.357 211 F C 0.863 176.665 175.800 0.004 0.000 1.302 211 F CA -1.038 56.964 58.000 0.004 0.000 1.069 211 F CB 0.104 39.106 39.000 0.003 0.000 1.539 211 F HN 0.307 8.606 8.300 -0.002 0.000 0.505 212 S N 0.000 115.853 115.700 0.255 0.000 2.498 212 S HA 0.000 4.530 4.470 0.100 0.000 0.327 212 S CA 0.000 58.275 58.200 0.125 0.000 1.107 212 S CB 0.000 63.250 63.200 0.084 0.000 0.593 212 S HN 0.000 8.501 8.310 0.318 0.000 0.517