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 3dyb_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAQTNAPWGL ARISSTSPGT STYYYDESAG QGScVYVIDT GIEASHPEFE DATA SEQUENCE GRAQMVKTYY YSSRDGNGHG THCAGTVGSR TYGVAKKTQL FGVKVLDDNG DATA SEQUENCE SGQYSTIIAG MDFVASDKNN RNcPKGVVAS LSLGGGYSSS VNSAAARLQS DATA SEQUENCE SGVMVAVAAG NNNADARNYS PASEPSVcTV GASDRYDRRS SFSNYGSVLD DATA SEQUENCE IFGPGTDILS TWIGGSTRSI SGTSMATPHV AGLAAYLMTL GKTTAASAcR DATA SEQUENCE YIADTANKGD LSNIPFGTVN LLAYNNYQA 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 A HA 0.000 4.152 4.320 -0.280 0.000 0.244 1 A C 0.000 177.324 177.584 -0.433 0.000 1.274 1 A CA 0.000 51.724 52.037 -0.523 0.000 0.836 1 A CB 0.000 18.388 19.000 -1.020 0.000 0.831 2 A N 0.038 122.725 122.820 -0.221 0.000 2.427 2 A HA 0.796 5.260 4.320 -0.081 -0.192 0.298 2 A C -1.796 175.774 177.584 -0.024 0.000 1.036 2 A CA -0.579 51.431 52.037 -0.046 0.000 0.701 2 A CB 2.898 21.987 19.000 0.149 0.000 1.250 2 A HN 0.157 8.191 8.150 -0.193 0.000 0.412 3 Q N 3.999 123.805 119.800 0.009 0.000 2.357 3 Q HA 0.322 4.692 4.340 0.050 0.000 0.266 3 Q C -1.099 174.899 176.000 -0.004 0.000 1.021 3 Q CA -1.227 54.613 55.803 0.061 0.000 0.784 3 Q CB 2.775 31.613 28.738 0.167 0.000 1.243 3 Q HN 0.506 8.754 8.270 -0.036 0.000 0.465 4 T N 6.859 121.410 114.554 -0.004 0.000 2.899 4 T HA -0.101 4.237 4.350 -0.021 0.000 0.295 4 T C 0.387 175.087 174.700 -0.001 0.000 1.033 4 T CA 1.399 63.495 62.100 -0.006 0.000 1.084 4 T CB 0.640 69.514 68.868 0.010 0.000 0.979 4 T HN 0.392 8.635 8.240 0.005 0.000 0.532 5 N N 3.493 122.198 118.700 0.008 0.000 2.727 5 N HA -0.431 4.326 4.740 0.028 0.000 0.249 5 N C -1.460 174.058 175.510 0.014 0.000 1.048 5 N CA 1.108 54.169 53.050 0.019 0.000 0.714 5 N CB -0.751 37.748 38.487 0.019 0.000 0.959 5 N HN 0.520 8.905 8.380 0.009 0.000 0.544 6 A N -1.187 121.638 122.820 0.009 0.000 2.296 6 A HA 0.203 4.503 4.320 -0.033 0.000 0.264 6 A C -2.367 175.225 177.584 0.014 0.000 1.097 6 A CA -1.122 50.910 52.037 -0.009 0.000 0.811 6 A CB 0.340 19.337 19.000 -0.006 0.000 1.072 6 A HN -0.195 7.952 8.150 0.008 0.008 0.495 7 P HA -0.072 4.396 4.420 0.079 0.000 0.267 7 P C 0.589 177.873 177.300 -0.026 0.000 1.200 7 P CA -0.114 62.991 63.100 0.008 0.000 0.772 7 P CB 0.429 32.111 31.700 -0.029 0.000 0.855 8 W N 2.446 123.740 121.300 -0.011 0.000 2.350 8 W HA -0.333 4.304 4.660 -0.039 0.000 0.289 8 W C 1.095 177.586 176.519 -0.047 0.000 1.215 8 W CA 2.917 60.239 57.345 -0.039 0.000 1.236 8 W CB -1.120 28.300 29.460 -0.066 0.000 1.130 8 W HN 0.576 8.909 8.180 0.255 0.000 0.541 9 G N 0.249 108.458 108.800 -0.986 0.000 2.422 9 G HA2 -0.367 2.776 3.960 -1.361 0.000 0.218 9 G HA3 -0.367 2.888 3.960 -1.174 0.000 0.218 9 G C 0.559 175.197 174.900 -0.436 0.000 1.140 9 G CA 1.336 45.788 45.100 -1.079 0.000 0.775 9 G HN 0.101 7.708 8.290 -1.109 0.018 0.545 10 L N 1.331 122.347 121.223 -0.345 0.000 2.056 10 L HA -0.356 3.638 4.340 -0.578 0.000 0.207 10 L C 2.078 178.765 176.870 -0.304 0.000 1.078 10 L CA 2.352 56.866 54.840 -0.543 0.000 0.749 10 L CB -0.358 41.213 42.059 -0.813 0.000 0.901 10 L HN -0.738 7.295 8.230 -0.328 0.000 0.433 11 A N -1.665 121.098 122.820 -0.094 0.000 1.908 11 A HA -0.295 4.233 4.320 0.129 -0.130 0.218 11 A C 2.248 179.912 177.584 0.133 0.000 1.181 11 A CA 2.705 54.788 52.037 0.076 0.000 0.627 11 A CB -0.585 18.469 19.000 0.090 0.000 0.818 11 A HN -0.463 7.628 8.150 -0.099 0.000 0.445 12 R N -0.969 119.586 120.500 0.091 0.000 2.092 12 R HA -0.220 4.223 4.340 0.171 0.000 0.231 12 R C 2.599 178.985 176.300 0.143 0.000 1.119 12 R CA 2.384 58.568 56.100 0.140 0.000 0.970 12 R CB -0.009 30.404 30.300 0.188 0.000 0.864 12 R HN -0.174 8.018 8.270 0.031 0.096 0.440 13 I N -6.983 113.639 120.570 0.087 0.000 3.444 13 I HA 0.189 4.633 4.170 0.212 -0.147 0.287 13 I C -0.702 175.624 176.117 0.349 0.000 1.302 13 I CA 1.063 62.468 61.300 0.177 0.000 1.368 13 I CB -0.442 37.606 38.000 0.079 0.000 1.048 13 I HN -0.500 7.706 8.210 -0.008 0.000 0.487 14 S N -1.625 114.312 115.700 0.394 0.000 2.602 14 S HA 0.320 5.253 4.470 0.482 -0.173 0.240 14 S C -0.159 174.796 174.600 0.592 0.000 0.992 14 S CA -1.203 57.305 58.200 0.514 0.000 0.971 14 S CB 0.781 64.302 63.200 0.536 0.000 0.855 14 S HN -0.589 7.769 8.310 0.330 0.150 0.481 15 S N 1.249 117.222 115.700 0.454 0.000 2.526 15 S HA 0.203 4.860 4.470 0.311 0.000 0.293 15 S C 0.295 174.857 174.600 -0.063 0.000 1.092 15 S CA -0.869 57.484 58.200 0.254 0.000 0.980 15 S CB 2.972 66.290 63.200 0.196 0.000 1.048 15 S HN -0.651 7.841 8.310 0.401 0.059 0.483 16 T N 1.401 115.872 114.554 -0.138 0.000 3.113 16 T HA -0.066 4.152 4.350 -0.486 -0.160 0.256 16 T C 0.191 174.820 174.700 -0.119 0.000 1.131 16 T CA 0.675 62.614 62.100 -0.268 0.000 1.074 16 T CB 0.194 68.952 68.868 -0.184 0.000 0.944 16 T HN 0.463 8.691 8.240 -0.019 0.000 0.516 17 S N 2.644 118.324 115.700 -0.033 0.000 2.569 17 S HA 0.421 4.878 4.470 -0.022 0.000 0.280 17 S C -2.391 172.225 174.600 0.027 0.000 1.111 17 S CA -1.868 56.328 58.200 -0.005 0.000 0.887 17 S CB 2.115 65.321 63.200 0.010 0.000 1.095 17 S HN -0.515 7.749 8.310 0.002 0.047 0.476 18 P HA 0.045 4.492 4.420 0.045 0.000 0.274 18 P C 0.081 177.391 177.300 0.016 0.000 1.256 18 P CA 0.089 63.199 63.100 0.017 0.000 0.795 18 P CB 0.303 31.991 31.700 -0.020 0.000 1.038 19 G N -0.309 108.488 108.800 -0.006 0.000 2.141 19 G HA2 -0.221 3.709 3.960 -0.050 0.000 0.231 19 G HA3 -0.221 3.742 3.960 0.005 0.000 0.231 19 G C -0.459 174.462 174.900 0.035 0.000 0.984 19 G CA 0.144 45.240 45.100 -0.007 0.000 0.660 19 G HN 0.516 8.796 8.290 -0.017 0.000 0.525 20 T N -3.303 111.293 114.554 0.068 0.000 2.940 20 T HA 0.324 4.720 4.350 0.077 0.000 0.288 20 T C -0.390 174.365 174.700 0.091 0.000 1.045 20 T CA -2.019 60.134 62.100 0.088 0.000 1.018 20 T CB 2.870 71.814 68.868 0.126 0.000 1.151 20 T HN -0.590 7.698 8.240 0.081 0.000 0.529 21 S N -1.433 114.310 115.700 0.072 0.000 2.847 21 S HA 0.217 4.735 4.470 0.080 0.000 0.254 21 S C -0.903 173.704 174.600 0.012 0.000 1.039 21 S CA -0.304 57.931 58.200 0.059 0.000 1.113 21 S CB 1.096 64.330 63.200 0.056 0.000 1.092 21 S HN 0.306 8.658 8.310 0.070 0.000 0.620 22 T N 3.917 118.444 114.554 -0.045 0.000 2.794 22 T HA 0.519 4.949 4.350 -0.136 -0.161 0.280 22 T C -1.088 173.396 174.700 -0.360 0.000 0.987 22 T CA -0.152 61.815 62.100 -0.222 0.000 0.993 22 T CB 2.190 70.862 68.868 -0.328 0.000 0.939 22 T HN -0.751 7.479 8.240 -0.016 0.000 0.449 23 Y N 9.486 129.555 120.300 -0.385 0.000 2.341 23 Y HA 0.158 4.593 4.550 -0.193 0.000 0.340 23 Y C -2.503 173.249 175.900 -0.246 0.000 0.997 23 Y CA -3.041 54.915 58.100 -0.241 0.000 1.149 23 Y CB 1.710 40.115 38.460 -0.091 0.000 1.171 23 Y HN 0.306 8.557 8.280 -0.049 0.000 0.494 24 Y N 7.556 127.883 120.300 0.045 0.000 2.352 24 Y HA 0.623 5.265 4.550 -0.183 -0.203 0.339 24 Y C -0.976 174.705 175.900 -0.366 0.000 0.992 24 Y CA -1.960 56.089 58.100 -0.085 0.000 1.100 24 Y CB 2.298 40.896 38.460 0.229 0.000 1.192 24 Y HN -0.280 8.098 8.280 0.163 0.000 0.458 25 Y N -2.928 116.930 120.300 -0.736 0.000 2.558 25 Y HA 0.173 4.090 4.550 -1.055 0.000 0.333 25 Y C -2.244 172.990 175.900 -1.111 0.000 1.125 25 Y CA -2.055 55.419 58.100 -1.044 0.000 1.039 25 Y CB 2.487 40.351 38.460 -0.993 0.000 1.331 25 Y HN -0.031 7.716 8.280 -0.888 0.000 0.456 26 D N 2.213 122.129 120.400 -0.807 0.000 2.488 26 D HA -0.068 4.330 4.640 -0.403 0.000 0.238 26 D C 1.054 177.320 176.300 -0.056 0.000 1.138 26 D CA 1.053 54.858 54.000 -0.324 0.000 0.873 26 D CB 2.317 43.084 40.800 -0.053 0.000 1.183 26 D HN -0.130 7.958 8.370 -0.470 0.000 0.458 27 E N 5.798 125.928 120.200 -0.116 0.000 2.338 27 E HA -0.306 4.044 4.350 0.001 0.000 0.197 27 E C 1.424 178.067 176.600 0.070 0.000 1.007 27 E CA 2.311 58.697 56.400 -0.024 0.000 0.849 27 E CB -0.460 29.203 29.700 -0.061 0.000 0.774 27 E HN 0.618 8.903 8.360 -0.125 0.000 0.506 28 S N 0.639 116.358 115.700 0.031 0.000 2.387 28 S HA -0.371 4.247 4.470 0.006 -0.145 0.230 28 S C 1.030 175.662 174.600 0.053 0.000 1.035 28 S CA 2.330 60.536 58.200 0.009 0.000 1.014 28 S CB 0.071 63.235 63.200 -0.059 0.000 0.836 28 S HN -0.195 8.388 8.310 0.001 -0.273 0.466 29 A N 0.482 123.394 122.820 0.153 0.000 2.822 29 A HA -0.405 4.123 4.320 0.346 0.000 0.287 29 A C -0.216 177.438 177.584 0.117 0.000 1.479 29 A CA 0.659 52.821 52.037 0.209 0.000 0.779 29 A CB -1.852 17.241 19.000 0.155 0.000 1.022 29 A HN -0.392 7.874 8.150 0.193 0.000 0.532 30 G N -7.039 101.808 108.800 0.079 0.000 2.148 30 G HA2 -0.535 3.433 3.960 0.013 0.000 0.254 30 G HA3 -0.535 3.458 3.960 0.054 0.000 0.254 30 G C -0.342 174.554 174.900 -0.005 0.000 0.981 30 G CA -0.075 45.045 45.100 0.034 0.000 0.670 30 G HN 0.510 8.804 8.290 0.034 0.016 0.528 31 Q N 0.049 119.844 119.800 -0.008 0.000 2.330 31 Q HA -0.249 4.261 4.340 -0.021 -0.182 0.279 31 Q C 1.286 177.272 176.000 -0.024 0.000 1.024 31 Q CA 0.374 56.166 55.803 -0.017 0.000 0.900 31 Q CB -0.066 28.665 28.738 -0.011 0.000 1.221 31 Q HN -0.380 7.851 8.270 -0.001 0.039 0.396 32 G N 2.943 111.729 108.800 -0.023 0.000 2.199 32 G HA2 -0.460 3.494 3.960 -0.010 0.000 0.254 32 G HA3 -0.460 3.490 3.960 -0.016 0.000 0.254 32 G C -0.750 174.144 174.900 -0.010 0.000 0.982 32 G CA 0.381 45.472 45.100 -0.015 0.000 0.632 32 G HN 0.843 9.117 8.290 -0.027 0.000 0.529 33 S N 0.035 115.724 115.700 -0.018 0.000 2.745 33 S HA 0.729 5.325 4.470 0.009 -0.121 0.292 33 S C -1.220 173.362 174.600 -0.031 0.000 1.133 33 S CA -1.563 56.633 58.200 -0.008 0.000 0.998 33 S CB 2.854 66.050 63.200 -0.006 0.000 1.087 33 S HN -0.523 7.697 8.310 -0.026 0.075 0.551 34 c N -1.385 117.213 118.600 -0.004 0.000 2.609 34 c HA 0.725 5.353 4.570 -0.209 -0.183 0.313 34 c C -1.235 172.847 174.090 -0.014 0.000 1.175 34 c CA -0.812 55.481 56.329 -0.061 0.000 1.434 34 c CB 3.255 45.841 42.510 0.127 0.000 2.005 34 c HN -0.076 8.174 8.230 0.034 0.000 0.471 35 V N 1.430 121.265 119.914 -0.133 0.000 2.483 35 V HA 0.568 4.952 4.120 0.113 -0.197 0.297 35 V C -1.368 174.710 176.094 -0.026 0.000 1.027 35 V CA -1.619 60.676 62.300 -0.009 0.000 0.855 35 V CB 2.981 34.786 31.823 -0.031 0.000 0.995 35 V HN 0.761 8.776 8.190 -0.292 0.000 0.424 36 Y N 6.825 127.187 120.300 0.104 0.000 2.313 36 Y HA 0.313 5.183 4.550 0.194 -0.204 0.332 36 Y C -0.390 175.558 175.900 0.080 0.000 1.071 36 Y CA -0.645 57.545 58.100 0.151 0.000 1.169 36 Y CB 1.744 40.315 38.460 0.184 0.000 1.192 36 Y HN 0.467 9.033 8.280 0.477 0.000 0.487 37 V N 3.867 123.893 119.914 0.187 0.000 2.313 37 V HA 0.220 4.549 4.120 0.115 -0.140 0.278 37 V C -1.255 174.924 176.094 0.142 0.000 1.017 37 V CA -0.799 61.570 62.300 0.115 0.000 0.823 37 V CB 0.929 32.766 31.823 0.023 0.000 1.010 37 V HN 0.512 8.797 8.190 0.159 0.000 0.443 38 I N 8.851 129.510 120.570 0.149 0.000 2.307 38 I HA 0.439 4.889 4.170 0.164 -0.182 0.287 38 I C -1.452 174.739 176.117 0.123 0.000 1.054 38 I CA -0.242 61.147 61.300 0.149 0.000 1.218 38 I CB -0.655 37.430 38.000 0.142 0.000 1.398 38 I HN 0.097 8.391 8.210 0.139 0.000 0.475 39 D N 6.921 127.389 120.400 0.113 0.000 4.359 39 D HA 0.210 4.913 4.640 0.106 0.000 0.344 39 D C -0.710 175.626 176.300 0.061 0.000 1.642 39 D CA 0.142 54.206 54.000 0.106 0.000 0.981 39 D CB 2.141 43.024 40.800 0.139 0.000 1.479 39 D HN 0.260 8.698 8.370 0.113 0.000 0.647 40 T N -0.598 113.975 114.554 0.033 0.000 3.169 40 T HA 0.144 4.644 4.350 -0.075 -0.195 0.250 40 T C 0.299 174.965 174.700 -0.058 0.000 1.111 40 T CA 0.736 62.808 62.100 -0.048 0.000 1.010 40 T CB 0.228 69.045 68.868 -0.084 0.000 0.984 40 T HN 0.262 8.545 8.240 0.072 0.000 0.537 41 G N -0.373 108.413 108.800 -0.023 0.000 2.434 41 G HA2 -0.189 3.756 3.960 -0.025 0.000 0.671 41 G HA3 -0.189 3.735 3.960 -0.060 0.000 0.671 41 G C -3.214 171.650 174.900 -0.060 0.000 1.280 41 G CA -0.686 44.389 45.100 -0.042 0.000 0.975 41 G HN -0.582 7.642 8.290 0.006 0.069 0.510 42 I N -1.443 119.079 120.570 -0.080 0.000 2.607 42 I HA 0.164 4.282 4.170 -0.086 0.000 0.290 42 I C -1.288 174.790 176.117 -0.065 0.000 1.129 42 I CA -0.991 60.242 61.300 -0.112 0.000 1.042 42 I CB 4.323 42.171 38.000 -0.253 0.000 1.242 42 I HN -0.328 7.837 8.210 -0.074 0.000 0.421 43 E N 6.803 127.022 120.200 0.030 0.000 1.775 43 E HA -0.013 4.367 4.350 0.050 0.000 0.266 43 E C 0.220 176.941 176.600 0.201 0.000 1.191 43 E CA -1.065 55.400 56.400 0.108 0.000 1.048 43 E CB -0.355 29.436 29.700 0.151 0.000 1.081 43 E HN 0.270 8.669 8.360 0.064 0.000 0.434 44 A N 6.458 129.312 122.820 0.056 0.000 2.019 44 A HA -0.311 3.961 4.320 -0.081 0.000 0.219 44 A C 0.568 178.267 177.584 0.191 0.000 1.164 44 A CA 2.982 55.041 52.037 0.036 0.000 0.644 44 A CB -0.142 18.837 19.000 -0.035 0.000 0.805 44 A HN -0.425 7.731 8.150 0.009 0.000 0.449 45 S N -4.619 111.178 115.700 0.162 0.000 2.561 45 S HA -0.249 4.292 4.470 0.118 0.000 0.225 45 S C -0.134 174.574 174.600 0.179 0.000 0.977 45 S CA 0.480 58.761 58.200 0.136 0.000 0.926 45 S CB -0.320 62.922 63.200 0.071 0.000 0.769 45 S HN -0.317 8.040 8.310 0.129 0.030 0.533 46 H N 6.506 125.680 119.070 0.174 0.000 3.034 46 H HA 0.040 4.619 4.556 0.038 0.000 0.324 46 H C -0.138 175.194 175.328 0.007 0.000 1.015 46 H CA 0.498 56.588 56.048 0.069 0.000 1.429 46 H CB 0.667 30.429 29.762 0.000 0.000 1.429 46 H HN -0.722 7.775 8.280 0.452 0.054 0.585 47 P HA -0.221 4.255 4.420 0.092 0.000 0.218 47 P C 1.014 178.376 177.300 0.104 0.000 1.146 47 P CA 2.214 65.393 63.100 0.131 0.000 0.813 47 P CB 0.194 31.933 31.700 0.066 0.000 0.778 48 E N -2.678 117.588 120.200 0.110 0.000 2.338 48 E HA -0.239 4.032 4.350 -0.132 0.000 0.197 48 E C 1.266 177.668 176.600 -0.329 0.000 1.007 48 E CA 2.317 58.569 56.400 -0.246 0.000 0.849 48 E CB -0.330 29.018 29.700 -0.586 0.000 0.774 48 E HN -0.389 8.252 8.360 0.521 0.032 0.506 49 F N -3.268 116.682 119.950 0.000 0.000 2.698 49 F HA 0.076 4.561 4.527 -0.071 0.000 0.295 49 F C -0.046 175.737 175.800 -0.029 0.000 1.124 49 F CA -0.484 57.492 58.000 -0.040 0.000 1.426 49 F CB 0.350 39.326 39.000 -0.040 0.000 1.120 49 F HN -0.185 8.017 8.300 -0.100 0.037 0.583 50 E N -3.634 116.645 120.200 0.132 0.000 2.722 50 E HA -0.393 3.993 4.350 0.060 0.000 0.265 50 E C -0.023 176.615 176.600 0.065 0.000 1.081 50 E CA 0.940 57.383 56.400 0.072 0.000 0.781 50 E CB -2.147 27.574 29.700 0.036 0.000 1.372 50 E HN -0.506 7.928 8.360 0.123 0.000 0.423 51 G N -5.636 103.215 108.800 0.086 0.000 2.176 51 G HA2 -0.349 3.643 3.960 0.052 0.000 0.253 51 G HA3 -0.349 3.633 3.960 0.036 0.000 0.253 51 G C 0.126 175.035 174.900 0.014 0.000 0.979 51 G CA 0.353 45.481 45.100 0.048 0.000 0.641 51 G HN 0.482 8.819 8.290 0.128 0.029 0.530 52 R N -2.241 118.266 120.500 0.012 0.000 2.310 52 R HA -0.082 4.213 4.340 -0.074 0.000 0.202 52 R C -1.266 174.933 176.300 -0.168 0.000 0.933 52 R CA 0.339 56.400 56.100 -0.064 0.000 1.054 52 R CB 0.810 31.080 30.300 -0.049 0.000 0.985 52 R HN -0.098 8.038 8.270 0.057 0.168 0.489 53 A N -3.276 119.448 122.820 -0.161 0.000 2.324 53 A HA 0.743 5.032 4.320 -0.383 -0.198 0.330 53 A C -1.809 175.670 177.584 -0.175 0.000 1.165 53 A CA -1.803 50.045 52.037 -0.315 0.000 0.813 53 A CB 2.281 20.886 19.000 -0.658 0.000 1.197 53 A HN -0.325 7.728 8.150 -0.073 0.052 0.484 54 Q N 0.455 120.174 119.800 -0.135 0.000 2.391 54 Q HA 0.302 4.619 4.340 -0.038 0.000 0.279 54 Q C -1.536 174.478 176.000 0.024 0.000 1.028 54 Q CA -1.495 54.299 55.803 -0.016 0.000 0.836 54 Q CB 3.699 32.479 28.738 0.070 0.000 1.414 54 Q HN 0.257 8.424 8.270 -0.172 0.000 0.397 55 M N 1.979 121.582 119.600 0.005 0.000 2.211 55 M HA -0.064 4.425 4.480 0.014 0.000 0.356 55 M C 0.442 176.761 176.300 0.032 0.000 1.216 55 M CA -0.311 54.994 55.300 0.009 0.000 1.134 55 M CB -0.173 32.413 32.600 -0.025 0.000 1.564 55 M HN 0.366 8.652 8.290 -0.007 0.000 0.463 56 V N -2.573 117.370 119.914 0.047 0.000 3.548 56 V HA 0.303 4.442 4.120 0.031 0.000 0.279 56 V C -0.548 175.511 176.094 -0.058 0.000 1.446 56 V CA -1.068 61.263 62.300 0.053 0.000 1.023 56 V CB 1.708 33.609 31.823 0.130 0.000 0.820 56 V HN 0.439 8.666 8.190 0.061 0.000 0.438 57 K N -0.694 119.593 120.400 -0.189 0.000 2.557 57 K HA 0.287 4.315 4.320 -0.487 0.000 0.257 57 K C -2.575 173.794 176.600 -0.385 0.000 0.933 57 K CA -0.183 55.807 56.287 -0.495 0.000 0.820 57 K CB 3.385 35.199 32.500 -1.143 0.000 1.330 57 K HN -0.815 7.366 8.250 -0.114 0.000 0.432 58 T N 3.931 118.207 114.554 -0.462 0.000 2.900 58 T HA 0.413 4.789 4.350 -0.193 -0.141 0.303 58 T C -1.178 173.181 174.700 -0.569 0.000 1.142 58 T CA -1.149 60.756 62.100 -0.326 0.000 1.007 58 T CB 1.093 69.879 68.868 -0.136 0.000 1.156 58 T HN -0.009 7.927 8.240 -0.507 0.000 0.490 59 Y N 3.602 123.770 120.300 -0.221 0.000 2.584 59 Y HA 0.165 4.511 4.550 -0.340 0.000 0.254 59 Y C -0.857 174.593 175.900 -0.750 0.000 1.177 59 Y CA -0.204 57.610 58.100 -0.476 0.000 1.216 59 Y CB 1.140 39.261 38.460 -0.564 0.000 1.172 59 Y HN 0.230 8.538 8.280 0.047 0.000 0.529 60 Y N -2.607 117.668 120.300 -0.041 0.000 2.686 60 Y HA 0.077 4.623 4.550 -0.007 0.000 0.330 60 Y C -0.366 175.458 175.900 -0.127 0.000 1.082 60 Y CA -1.510 56.536 58.100 -0.091 0.000 1.158 60 Y CB 1.388 39.724 38.460 -0.206 0.000 1.333 60 Y HN -0.453 7.741 8.280 -0.039 0.063 0.519 61 Y N -4.026 116.365 120.300 0.153 0.000 2.483 61 Y HA -0.164 4.407 4.550 0.035 0.000 0.291 61 Y C -0.279 175.648 175.900 0.044 0.000 1.143 61 Y CA 0.997 59.136 58.100 0.065 0.000 1.289 61 Y CB 0.048 38.541 38.460 0.055 0.000 0.983 61 Y HN 0.077 8.436 8.280 0.133 0.000 0.556 62 S N -3.308 112.183 115.700 -0.348 0.000 2.588 62 S HA 0.178 4.623 4.470 -0.041 0.000 0.275 62 S C -0.407 174.093 174.600 -0.167 0.000 1.130 62 S CA -1.535 56.558 58.200 -0.179 0.000 0.855 62 S CB 1.667 64.767 63.200 -0.166 0.000 1.116 62 S HN -0.939 6.968 8.310 -0.607 0.039 0.472 63 S N 3.137 118.780 115.700 -0.094 0.000 2.548 63 S HA 0.030 4.452 4.470 -0.081 0.000 0.215 63 S C -0.490 174.064 174.600 -0.077 0.000 0.976 63 S CA 0.501 58.653 58.200 -0.080 0.000 0.908 63 S CB 0.329 63.490 63.200 -0.065 0.000 0.781 63 S HN 0.411 8.681 8.310 -0.065 0.000 0.519 64 R N 2.377 122.827 120.500 -0.083 0.000 2.543 64 R HA -0.166 4.143 4.340 -0.051 0.000 0.277 64 R C -1.031 175.212 176.300 -0.096 0.000 1.074 64 R CA 0.553 56.613 56.100 -0.067 0.000 1.076 64 R CB 0.952 31.228 30.300 -0.040 0.000 0.993 64 R HN -0.776 7.384 8.270 -0.089 0.056 0.459 65 D N 3.561 123.908 120.400 -0.088 0.000 2.402 65 D HA 0.011 4.751 4.640 -0.130 -0.178 0.235 65 D C 0.547 176.770 176.300 -0.129 0.000 1.226 65 D CA -0.247 53.682 54.000 -0.120 0.000 0.918 65 D CB -0.595 40.129 40.800 -0.126 0.000 1.043 65 D HN 0.191 8.518 8.370 -0.071 0.000 0.506 66 G N 4.221 112.946 108.800 -0.125 0.000 3.141 66 G HA2 -0.010 3.905 3.960 -0.075 0.000 0.218 66 G HA3 -0.010 4.112 3.960 -0.070 -0.204 0.218 66 G C -0.706 174.129 174.900 -0.108 0.000 1.170 66 G CA -0.108 44.937 45.100 -0.093 0.000 0.769 66 G HN -0.051 8.410 8.290 -0.139 -0.253 0.546 67 N N -0.150 118.448 118.700 -0.170 0.000 2.646 67 N HA -0.022 4.666 4.740 -0.087 0.000 0.214 67 N C -0.335 174.945 175.510 -0.384 0.000 1.042 67 N CA 1.188 54.138 53.050 -0.166 0.000 0.925 67 N CB 2.580 40.986 38.487 -0.134 0.000 1.383 67 N HN -0.547 7.934 8.380 -0.193 -0.217 0.439 68 G N -2.424 105.988 108.800 -0.648 0.000 2.481 68 G HA2 -0.320 2.802 3.960 -1.397 0.000 0.200 68 G HA3 -0.320 1.958 3.960 -2.804 0.000 0.200 68 G C 0.220 174.482 174.900 -1.064 0.000 1.012 68 G CA 0.120 44.274 45.100 -1.577 0.000 0.676 68 G HN -0.390 8.061 8.290 -0.453 -0.433 0.488 69 H N 5.083 123.825 119.070 -0.547 0.000 2.290 69 H HA -0.361 4.191 4.556 -0.007 0.000 0.298 69 H C 0.977 176.267 175.328 -0.063 0.000 1.087 69 H CA 5.082 61.044 56.048 -0.144 0.000 1.291 69 H CB 0.431 30.161 29.762 -0.053 0.000 1.369 69 H HN -0.195 8.235 8.280 -0.224 -0.284 0.492 70 G N -2.681 106.137 108.800 0.030 0.000 2.442 70 G HA2 -0.360 3.664 3.960 0.044 0.000 0.219 70 G HA3 -0.360 3.776 3.960 0.007 -0.172 0.219 70 G C 1.316 176.196 174.900 -0.033 0.000 1.141 70 G CA 2.176 47.281 45.100 0.009 0.000 0.763 70 G HN 0.051 8.361 8.290 0.035 0.000 0.554 71 T N 4.007 118.520 114.554 -0.069 0.000 2.777 71 T HA -0.288 4.104 4.350 0.070 0.000 0.266 71 T C 1.784 176.539 174.700 0.093 0.000 1.040 71 T CA 5.110 67.226 62.100 0.026 0.000 1.141 71 T CB -0.390 68.465 68.868 -0.021 0.000 0.868 71 T HN -0.626 7.706 8.240 -0.146 -0.180 0.444 72 H N 3.976 123.025 119.070 -0.035 0.000 2.321 72 H HA -0.164 4.606 4.556 0.060 -0.178 0.300 72 H C 2.654 177.955 175.328 -0.045 0.000 1.087 72 H CA 4.331 60.399 56.048 0.033 0.000 1.319 72 H CB 0.203 30.069 29.762 0.174 0.000 1.379 72 H HN -0.212 8.116 8.280 0.079 0.000 0.501 73 C N -0.785 118.539 119.300 0.040 0.000 2.413 73 C HA -0.498 3.953 4.460 -0.015 0.000 0.276 73 C C 1.810 176.777 174.990 -0.038 0.000 1.236 73 C CA 5.014 64.016 59.018 -0.027 0.000 1.735 73 C CB -0.179 27.521 27.740 -0.066 0.000 2.031 73 C HN 0.034 8.266 8.230 0.003 0.000 0.474 74 A N -1.295 121.520 122.820 -0.008 0.000 1.940 74 A HA -0.322 3.971 4.320 -0.044 0.000 0.219 74 A C 1.716 179.369 177.584 0.115 0.000 1.176 74 A CA 3.210 55.246 52.037 -0.003 0.000 0.631 74 A CB -0.927 18.004 19.000 -0.116 0.000 0.814 74 A HN 0.037 8.186 8.150 -0.003 0.000 0.446 75 G N -2.682 106.190 108.800 0.120 0.000 2.408 75 G HA2 -0.319 3.713 3.960 0.121 0.000 0.217 75 G HA3 -0.319 3.558 3.960 -0.138 0.000 0.217 75 G C 1.807 176.638 174.900 -0.115 0.000 1.150 75 G CA 2.113 47.215 45.100 0.004 0.000 0.776 75 G HN -0.144 8.086 8.290 0.079 0.107 0.542 76 T N 5.500 119.931 114.554 -0.205 0.000 2.867 76 T HA -0.188 4.150 4.350 -0.352 -0.199 0.268 76 T C 1.821 176.350 174.700 -0.285 0.000 1.057 76 T CA 4.429 66.334 62.100 -0.325 0.000 1.136 76 T CB -0.304 68.309 68.868 -0.424 0.000 0.874 76 T HN -0.548 7.570 8.240 -0.203 0.000 0.466 77 V N 0.685 120.501 119.914 -0.163 0.000 2.261 77 V HA -0.327 3.842 4.120 -0.133 -0.129 0.246 77 V C 1.255 177.287 176.094 -0.103 0.000 1.047 77 V CA 4.097 66.326 62.300 -0.118 0.000 1.015 77 V CB 0.314 32.094 31.823 -0.072 0.000 0.642 77 V HN -0.385 7.648 8.190 -0.124 0.082 0.446 78 G N -7.203 101.564 108.800 -0.055 0.000 4.162 78 G HA2 0.217 4.316 3.960 -0.064 0.000 0.252 78 G HA3 0.217 4.165 3.960 -0.021 0.000 0.252 78 G C -1.710 173.204 174.900 0.023 0.000 1.064 78 G CA -0.181 44.902 45.100 -0.028 0.000 0.850 78 G HN -0.246 8.032 8.290 -0.019 0.000 0.454 79 S N 1.729 117.431 115.700 0.003 0.000 2.584 79 S HA 0.125 4.660 4.470 -0.074 -0.110 0.270 79 S C 1.444 175.949 174.600 -0.159 0.000 1.346 79 S CA 0.540 58.670 58.200 -0.116 0.000 1.018 79 S CB 1.997 65.035 63.200 -0.270 0.000 0.899 79 S HN -0.500 7.695 8.310 -0.009 0.110 0.542 80 R N 0.536 120.926 120.500 -0.183 0.000 2.073 80 R HA -0.222 4.037 4.340 -0.135 0.000 0.234 80 R C 2.192 178.335 176.300 -0.261 0.000 1.134 80 R CA 3.207 59.204 56.100 -0.172 0.000 0.952 80 R CB -0.493 29.731 30.300 -0.127 0.000 0.850 80 R HN 0.272 8.423 8.270 -0.198 0.000 0.433 81 T N 0.476 114.769 114.554 -0.435 0.000 2.976 81 T HA 0.007 4.078 4.350 -0.466 0.000 0.257 81 T C 1.265 175.495 174.700 -0.784 0.000 1.051 81 T CA 3.670 65.351 62.100 -0.699 0.000 1.141 81 T CB 1.142 69.347 68.868 -1.105 0.000 0.881 81 T HN 0.157 8.509 8.240 -0.444 -0.379 0.461 82 Y N -1.115 119.054 120.300 -0.218 0.000 2.467 82 Y HA 0.074 4.480 4.550 -0.240 0.000 0.250 82 Y C -0.399 175.313 175.900 -0.314 0.000 1.155 82 Y CA -0.557 57.386 58.100 -0.261 0.000 1.249 82 Y CB 0.168 38.454 38.460 -0.289 0.000 1.146 82 Y HN -0.439 7.568 8.280 -0.456 0.000 0.524 83 G N -1.919 106.748 108.800 -0.222 0.000 2.389 83 G HA2 0.342 4.318 3.960 -0.248 0.000 0.317 83 G HA3 0.342 4.371 3.960 -0.180 -0.177 0.317 83 G C -0.588 174.140 174.900 -0.287 0.000 1.137 83 G CA -1.224 43.736 45.100 -0.232 0.000 0.870 83 G HN -0.616 7.479 8.290 -0.240 0.051 0.496 84 V N 3.895 123.635 119.914 -0.290 0.000 2.379 84 V HA -0.317 3.599 4.120 -0.341 0.000 0.245 84 V C -0.167 175.849 176.094 -0.130 0.000 1.044 84 V CA 3.321 65.475 62.300 -0.244 0.000 1.036 84 V CB 0.432 32.136 31.823 -0.199 0.000 0.664 84 V HN 0.116 8.135 8.190 -0.286 0.000 0.453 85 A N -2.951 119.811 122.820 -0.096 0.000 2.644 85 A HA 0.270 4.603 4.320 0.021 0.000 0.343 85 A C -1.004 176.545 177.584 -0.057 0.000 1.324 85 A CA -1.246 50.778 52.037 -0.022 0.000 0.846 85 A CB -0.815 18.202 19.000 0.027 0.000 1.128 85 A HN -0.080 8.005 8.150 -0.108 0.000 0.484 86 K N 3.269 123.610 120.400 -0.098 0.000 2.504 86 K HA -0.132 4.129 4.320 -0.098 0.000 0.195 86 K C 0.709 177.284 176.600 -0.041 0.000 1.036 86 K CA 1.967 58.197 56.287 -0.095 0.000 0.984 86 K CB -0.014 32.401 32.500 -0.142 0.000 0.788 86 K HN 0.501 8.671 8.250 -0.133 0.000 0.488 87 K N -4.407 115.980 120.400 -0.020 0.000 2.506 87 K HA 0.347 4.655 4.320 -0.020 0.000 0.204 87 K C -0.826 175.751 176.600 -0.037 0.000 1.045 87 K CA -1.086 55.191 56.287 -0.017 0.000 1.074 87 K CB 1.167 33.669 32.500 0.003 0.000 0.842 87 K HN -0.249 7.938 8.250 -0.011 0.056 0.514 88 T N 2.259 116.782 114.554 -0.052 0.000 2.828 88 T HA -0.002 4.433 4.350 -0.077 -0.132 0.290 88 T C -1.237 173.368 174.700 -0.158 0.000 1.019 88 T CA 0.707 62.754 62.100 -0.089 0.000 1.031 88 T CB 1.704 70.523 68.868 -0.082 0.000 1.001 88 T HN -0.701 7.512 8.240 -0.045 0.000 0.531 89 Q N 5.229 124.882 119.800 -0.245 0.000 2.256 89 Q HA 0.371 4.629 4.340 -0.365 -0.137 0.254 89 Q C -1.437 174.151 176.000 -0.687 0.000 0.916 89 Q CA -0.908 54.629 55.803 -0.444 0.000 0.932 89 Q CB 1.192 29.640 28.738 -0.483 0.000 1.207 89 Q HN -0.189 7.949 8.270 -0.219 0.000 0.426 90 L N 6.374 127.184 121.223 -0.688 0.000 2.307 90 L HA 0.695 4.894 4.340 -0.559 -0.195 0.284 90 L C -1.253 175.152 176.870 -0.775 0.000 1.023 90 L CA -1.009 53.453 54.840 -0.630 0.000 0.810 90 L CB 1.867 43.654 42.059 -0.453 0.000 1.231 90 L HN 0.416 8.300 8.230 -0.575 0.000 0.423 91 F N 1.564 121.316 119.950 -0.329 0.000 2.507 91 F HA 0.803 5.376 4.527 -0.251 -0.197 0.325 91 F C 0.052 175.764 175.800 -0.146 0.000 1.116 91 F CA -2.687 55.119 58.000 -0.323 0.000 0.930 91 F CB 3.242 41.814 39.000 -0.713 0.000 1.146 91 F HN 0.471 8.504 8.300 -0.444 0.000 0.447 92 G N 1.419 110.281 108.800 0.103 0.000 2.356 92 G HA2 0.659 4.801 3.960 0.067 0.000 0.322 92 G HA3 0.659 4.622 3.960 0.005 0.000 0.322 92 G C -2.499 172.476 174.900 0.126 0.000 1.125 92 G CA -1.479 43.662 45.100 0.069 0.000 0.885 92 G HN 0.747 9.100 8.290 0.105 0.000 0.467 93 V N 3.835 123.835 119.914 0.144 0.000 2.447 93 V HA 0.286 4.608 4.120 0.038 -0.179 0.292 93 V C -1.923 174.244 176.094 0.121 0.000 1.021 93 V CA -1.218 61.156 62.300 0.124 0.000 0.850 93 V CB 2.745 34.708 31.823 0.234 0.000 1.005 93 V HN 0.086 8.362 8.190 0.143 0.000 0.426 94 K N 8.180 128.636 120.400 0.094 0.000 2.206 94 K HA 0.371 4.968 4.320 0.114 -0.209 0.268 94 K C -0.164 176.648 176.600 0.353 0.000 1.111 94 K CA -1.462 54.914 56.287 0.149 0.000 0.955 94 K CB -0.078 32.475 32.500 0.088 0.000 1.406 94 K HN 0.302 8.569 8.250 0.027 0.000 0.427 95 V N -0.055 120.038 119.914 0.298 0.000 3.650 95 V HA 0.133 4.478 4.120 0.375 0.000 0.271 95 V C -0.894 175.397 176.094 0.328 0.000 1.281 95 V CA -0.329 62.152 62.300 0.301 0.000 1.120 95 V CB 0.627 32.513 31.823 0.105 0.000 0.856 95 V HN -0.151 8.163 8.190 0.206 0.000 0.443 96 L N 0.252 121.567 121.223 0.153 0.000 2.346 96 L HA 0.646 5.135 4.340 -0.028 -0.166 0.276 96 L C -0.531 176.073 176.870 -0.444 0.000 1.006 96 L CA -2.234 52.561 54.840 -0.076 0.000 0.817 96 L CB 2.739 44.749 42.059 -0.082 0.000 1.272 96 L HN -0.702 7.599 8.230 0.119 0.000 0.421 97 D N 2.956 122.940 120.400 -0.694 0.000 2.380 97 D HA -0.071 3.835 4.640 -1.224 0.000 0.254 97 D C 0.809 176.865 176.300 -0.406 0.000 1.288 97 D CA -1.143 52.346 54.000 -0.851 0.000 1.008 97 D CB 0.429 40.823 40.800 -0.676 0.000 1.099 97 D HN 0.462 8.535 8.370 -0.494 0.000 0.537 98 D N -4.043 116.177 120.400 -0.301 0.000 2.363 98 D HA -0.127 4.400 4.640 -0.188 0.000 0.226 98 D C -0.094 176.135 176.300 -0.120 0.000 1.020 98 D CA 1.929 55.821 54.000 -0.179 0.000 0.892 98 D CB -0.461 40.269 40.800 -0.118 0.000 0.900 98 D HN 0.234 8.426 8.370 -0.297 0.000 0.531 99 N N -3.079 115.547 118.700 -0.124 0.000 2.280 99 N HA -0.048 4.655 4.740 -0.061 0.000 0.192 99 N C 0.468 175.914 175.510 -0.107 0.000 1.109 99 N CA -0.300 52.698 53.050 -0.086 0.000 0.855 99 N CB 0.937 39.384 38.487 -0.065 0.000 0.974 99 N HN -0.284 8.217 8.380 -0.150 -0.212 0.482 100 G N -0.607 108.103 108.800 -0.149 0.000 2.141 100 G HA2 -0.332 3.515 3.960 -0.189 0.000 0.242 100 G HA3 -0.332 3.520 3.960 -0.181 0.000 0.242 100 G C -0.662 174.148 174.900 -0.149 0.000 0.982 100 G CA 0.380 45.377 45.100 -0.172 0.000 0.662 100 G HN -0.113 7.981 8.290 -0.173 0.091 0.527 101 S N 1.759 117.380 115.700 -0.132 0.000 2.608 101 S HA 0.250 4.664 4.470 -0.092 0.000 0.291 101 S C -1.471 173.093 174.600 -0.060 0.000 1.146 101 S CA -0.354 57.790 58.200 -0.094 0.000 1.043 101 S CB 2.245 65.402 63.200 -0.072 0.000 1.037 101 S HN -0.400 8.082 8.310 -0.147 -0.260 0.520 102 G N -0.274 108.510 108.800 -0.028 0.000 2.733 102 G HA2 0.100 4.131 3.960 0.119 0.000 0.297 102 G HA3 0.100 4.225 3.960 0.071 -0.123 0.297 102 G C -1.895 172.995 174.900 -0.017 0.000 1.452 102 G CA 0.130 45.257 45.100 0.046 0.000 0.940 102 G HN -0.192 8.063 8.290 -0.058 0.000 0.547 103 Q N 2.056 121.857 119.800 0.001 0.000 2.373 103 Q HA 0.067 4.353 4.340 -0.089 0.000 0.255 103 Q C 0.994 177.011 176.000 0.029 0.000 0.980 103 Q CA -0.728 55.054 55.803 -0.034 0.000 0.882 103 Q CB 0.784 29.511 28.738 -0.017 0.000 1.249 103 Q HN 0.287 8.579 8.270 0.037 0.000 0.438 104 Y N 2.865 123.137 120.300 -0.046 0.000 2.256 104 Y HA -0.422 4.093 4.550 -0.060 0.000 0.288 104 Y C 1.699 177.547 175.900 -0.087 0.000 1.155 104 Y CA 2.669 60.732 58.100 -0.061 0.000 1.203 104 Y CB -0.787 37.640 38.460 -0.055 0.000 0.980 104 Y HN 0.574 8.869 8.280 0.025 0.000 0.530 105 S N -2.373 113.368 115.700 0.068 0.000 2.382 105 S HA -0.234 4.223 4.470 -0.022 0.000 0.228 105 S C 2.214 176.744 174.600 -0.117 0.000 1.027 105 S CA 3.491 61.676 58.200 -0.024 0.000 0.991 105 S CB -1.169 62.012 63.200 -0.031 0.000 0.823 105 S HN 0.059 8.397 8.310 0.069 0.013 0.469 106 T N 5.448 119.904 114.554 -0.163 0.000 2.777 106 T HA -0.257 3.764 4.350 -0.549 0.000 0.266 106 T C 1.818 176.292 174.700 -0.376 0.000 1.040 106 T CA 4.053 65.918 62.100 -0.390 0.000 1.141 106 T CB -0.282 68.387 68.868 -0.333 0.000 0.868 106 T HN -0.707 7.462 8.240 -0.103 0.008 0.444 107 I N 1.710 122.200 120.570 -0.134 0.000 2.226 107 I HA -0.516 3.615 4.170 -0.064 0.000 0.245 107 I C 1.638 177.710 176.117 -0.075 0.000 1.100 107 I CA 4.396 65.663 61.300 -0.055 0.000 1.374 107 I CB -0.213 37.834 38.000 0.078 0.000 1.057 107 I HN -0.606 7.572 8.210 -0.054 0.000 0.413 108 I N -0.792 119.728 120.570 -0.084 0.000 2.179 108 I HA -0.586 3.538 4.170 -0.076 0.000 0.242 108 I C 1.522 177.597 176.117 -0.070 0.000 1.088 108 I CA 4.242 65.493 61.300 -0.081 0.000 1.357 108 I CB -0.314 37.635 38.000 -0.085 0.000 1.051 108 I HN -0.252 7.915 8.210 -0.071 0.000 0.409 109 A N -0.707 122.041 122.820 -0.120 0.000 1.908 109 A HA -0.349 3.970 4.320 -0.003 0.000 0.218 109 A C 2.019 179.634 177.584 0.051 0.000 1.181 109 A CA 3.149 55.144 52.037 -0.069 0.000 0.627 109 A CB -0.936 17.947 19.000 -0.195 0.000 0.818 109 A HN -0.343 7.705 8.150 -0.169 0.000 0.445 110 G N -2.575 106.198 108.800 -0.045 0.000 2.422 110 G HA2 -0.359 3.815 3.960 0.356 0.000 0.218 110 G HA3 -0.359 3.673 3.960 0.119 0.000 0.218 110 G C 1.326 176.333 174.900 0.179 0.000 1.146 110 G CA 1.785 46.986 45.100 0.168 0.000 0.769 110 G HN -0.175 7.906 8.290 -0.202 0.088 0.547 111 M N 1.591 121.231 119.600 0.067 0.000 2.099 111 M HA -0.415 4.078 4.480 0.023 0.000 0.262 111 M C 1.885 178.190 176.300 0.008 0.000 1.067 111 M CA 4.346 59.661 55.300 0.024 0.000 1.124 111 M CB -0.083 32.509 32.600 -0.013 0.000 1.353 111 M HN -0.538 7.767 8.290 0.025 0.000 0.410 112 D N -0.689 119.726 120.400 0.024 0.000 2.178 112 D HA -0.238 4.383 4.640 -0.032 0.000 0.202 112 D C 2.492 178.801 176.300 0.015 0.000 0.974 112 D CA 3.272 57.275 54.000 0.004 0.000 0.841 112 D CB -0.304 40.504 40.800 0.013 0.000 0.953 112 D HN -0.498 7.888 8.370 0.027 0.000 0.478 113 F N 1.781 121.718 119.950 -0.023 0.000 2.095 113 F HA -0.386 4.129 4.527 -0.020 0.000 0.298 113 F C 1.138 176.867 175.800 -0.118 0.000 1.104 113 F CA 3.645 61.630 58.000 -0.024 0.000 1.232 113 F CB 0.234 39.270 39.000 0.059 0.000 0.987 113 F HN -0.012 8.450 8.300 0.277 0.005 0.475 114 V N -1.014 118.774 119.914 -0.211 0.000 2.407 114 V HA -0.661 2.941 4.120 -0.863 0.000 0.248 114 V C 1.558 177.341 176.094 -0.519 0.000 1.055 114 V CA 4.297 66.238 62.300 -0.599 0.000 1.049 114 V CB -0.412 31.067 31.823 -0.573 0.000 0.662 114 V HN -0.531 7.671 8.190 0.020 0.000 0.455 115 A N -1.080 121.560 122.820 -0.300 0.000 1.940 115 A HA -0.321 3.878 4.320 -0.202 0.000 0.219 115 A C 1.968 179.417 177.584 -0.226 0.000 1.176 115 A CA 3.056 54.964 52.037 -0.215 0.000 0.631 115 A CB -0.772 18.149 19.000 -0.132 0.000 0.814 115 A HN -0.414 7.602 8.150 -0.224 0.000 0.446 116 S N -1.795 113.737 115.700 -0.280 0.000 2.371 116 S HA -0.177 4.180 4.470 -0.188 0.000 0.221 116 S C 2.290 176.687 174.600 -0.339 0.000 1.036 116 S CA 3.061 61.103 58.200 -0.263 0.000 0.965 116 S CB -0.003 63.055 63.200 -0.238 0.000 0.845 116 S HN -0.611 7.509 8.310 -0.307 0.006 0.475 117 D N 1.737 121.783 120.400 -0.590 0.000 2.221 117 D HA -0.256 4.094 4.640 -0.484 0.000 0.204 117 D C 2.361 178.501 176.300 -0.267 0.000 0.982 117 D CA 3.271 56.923 54.000 -0.581 0.000 0.857 117 D CB 0.167 40.315 40.800 -1.088 0.000 0.934 117 D HN 0.141 8.041 8.370 -0.782 0.000 0.475 118 K N -1.930 118.348 120.400 -0.204 0.000 2.281 118 K HA -0.271 4.116 4.320 0.112 0.000 0.203 118 K C 2.206 178.778 176.600 -0.047 0.000 1.046 118 K CA 2.509 58.786 56.287 -0.017 0.000 0.938 118 K CB -0.644 31.858 32.500 0.004 0.000 0.737 118 K HN -0.435 7.616 8.250 -0.296 0.021 0.458 119 N N -1.067 117.575 118.700 -0.097 0.000 2.521 119 N HA -0.050 4.660 4.740 -0.050 0.000 0.188 119 N C 0.256 175.721 175.510 -0.074 0.000 1.146 119 N CA 1.688 54.693 53.050 -0.074 0.000 0.893 119 N CB -0.193 38.246 38.487 -0.081 0.000 0.975 119 N HN -0.104 8.167 8.380 -0.136 0.028 0.451 120 N N -1.942 116.697 118.700 -0.101 0.000 2.236 120 N HA 0.034 4.730 4.740 -0.073 0.000 0.196 120 N C -0.940 174.514 175.510 -0.094 0.000 1.114 120 N CA 0.602 53.595 53.050 -0.096 0.000 0.859 120 N CB 0.924 39.340 38.487 -0.120 0.000 0.982 120 N HN -0.033 8.088 8.380 -0.126 0.184 0.493 121 R N -0.215 120.235 120.500 -0.083 0.000 2.832 121 R HA 0.292 4.594 4.340 -0.063 0.000 0.271 121 R C -0.848 175.469 176.300 0.030 0.000 0.996 121 R CA -1.994 54.073 56.100 -0.055 0.000 0.977 121 R CB 1.571 31.788 30.300 -0.138 0.000 1.168 121 R HN -0.617 7.454 8.270 -0.066 0.160 0.482 122 N N 2.103 120.846 118.700 0.071 0.000 2.462 122 N HA 0.078 4.844 4.740 0.043 0.000 0.242 122 N C -1.110 174.451 175.510 0.085 0.000 1.010 122 N CA -0.076 53.012 53.050 0.062 0.000 0.939 122 N CB 0.255 38.770 38.487 0.046 0.000 1.127 122 N HN 0.188 8.624 8.380 0.092 0.000 0.509 123 c N 3.087 121.730 118.600 0.071 0.000 3.359 123 c HA 0.451 5.160 4.570 0.064 -0.101 0.194 123 c C -0.993 173.120 174.090 0.040 0.000 1.659 123 c CA -2.422 53.950 56.329 0.072 0.000 1.338 123 c CB -1.472 41.109 42.510 0.118 0.000 2.109 123 c HN 0.559 8.823 8.230 0.057 0.000 0.518 124 P HA -0.176 4.250 4.420 0.009 0.000 0.219 124 P C -0.144 177.157 177.300 0.001 0.000 1.146 124 P CA 1.826 64.931 63.100 0.009 0.000 0.808 124 P CB -0.076 31.625 31.700 0.003 0.000 0.779 125 K N -4.421 115.978 120.400 -0.001 0.000 2.426 125 K HA 0.170 4.477 4.320 -0.020 0.000 0.193 125 K C -0.029 176.568 176.600 -0.006 0.000 1.028 125 K CA -1.055 55.224 56.287 -0.013 0.000 1.047 125 K CB 0.593 33.078 32.500 -0.025 0.000 0.821 125 K HN -0.274 7.951 8.250 0.003 0.027 0.513 126 G N -2.858 105.951 108.800 0.015 0.000 2.381 126 G HA2 -0.185 3.793 3.960 0.030 0.000 0.672 126 G HA3 -0.185 3.786 3.960 0.018 0.000 0.672 126 G C -3.112 171.824 174.900 0.060 0.000 1.324 126 G CA -0.670 44.447 45.100 0.029 0.000 0.975 126 G HN -0.502 7.648 8.290 0.023 0.154 0.593 127 V N -0.202 119.759 119.914 0.078 0.000 2.588 127 V HA 0.676 5.070 4.120 0.160 -0.178 0.304 127 V C -1.083 175.084 176.094 0.121 0.000 1.042 127 V CA -1.664 60.718 62.300 0.136 0.000 0.877 127 V CB 3.184 35.108 31.823 0.168 0.000 0.996 127 V HN 0.250 8.476 8.190 0.061 0.000 0.425 128 V N 5.296 125.304 119.914 0.156 0.000 2.769 128 V HA 0.485 4.795 4.120 0.099 -0.130 0.312 128 V C -2.166 174.039 176.094 0.185 0.000 1.061 128 V CA -2.317 60.060 62.300 0.128 0.000 0.931 128 V CB 4.186 36.065 31.823 0.092 0.000 1.010 128 V HN 0.532 8.834 8.190 0.187 0.000 0.433 129 A N 4.097 126.997 122.820 0.132 0.000 2.371 129 A HA 0.838 5.476 4.320 0.219 -0.187 0.311 129 A C -2.358 175.289 177.584 0.105 0.000 1.068 129 A CA -2.145 49.979 52.037 0.146 0.000 0.744 129 A CB 3.530 22.580 19.000 0.083 0.000 1.239 129 A HN 0.707 8.915 8.150 0.097 0.000 0.435 130 S N 2.406 118.173 115.700 0.112 0.000 2.474 130 S HA 0.669 5.321 4.470 0.074 -0.137 0.321 130 S C -1.387 173.267 174.600 0.090 0.000 1.080 130 S CA -1.955 56.296 58.200 0.084 0.000 1.106 130 S CB 1.132 64.371 63.200 0.065 0.000 0.984 130 S HN 0.547 8.940 8.310 0.138 0.000 0.464 131 L N 8.847 130.118 121.223 0.080 0.000 2.356 131 L HA 0.427 4.825 4.340 0.096 0.000 0.264 131 L C -1.221 175.705 176.870 0.093 0.000 1.029 131 L CA -0.685 54.206 54.840 0.085 0.000 0.897 131 L CB 1.635 43.734 42.059 0.067 0.000 1.256 131 L HN 0.486 8.759 8.230 0.072 0.000 0.444 132 S N 4.761 120.535 115.700 0.123 0.000 3.965 132 S HA 0.073 4.621 4.470 0.130 0.000 0.195 132 S C -0.958 173.750 174.600 0.180 0.000 1.449 132 S CA 0.178 58.475 58.200 0.163 0.000 0.965 132 S CB -1.137 62.180 63.200 0.196 0.000 1.459 132 S HN 0.493 8.882 8.310 0.131 0.000 0.476 133 L N -2.882 118.406 121.223 0.109 0.000 2.869 133 L HA 0.369 4.737 4.340 0.047 0.000 0.265 133 L C -2.208 174.714 176.870 0.087 0.000 1.011 133 L CA -0.155 54.730 54.840 0.075 0.000 0.913 133 L CB 1.811 43.910 42.059 0.067 0.000 1.490 133 L HN -0.745 7.501 8.230 0.098 0.043 0.410 134 G N -2.054 106.806 108.800 0.100 0.000 2.313 134 G HA2 0.132 4.305 3.960 0.229 0.000 0.296 134 G HA3 0.132 4.198 3.960 0.155 -0.013 0.296 134 G C -1.948 173.071 174.900 0.198 0.000 1.356 134 G CA 0.331 45.536 45.100 0.175 0.000 0.833 134 G HN -0.288 8.045 8.290 0.073 0.000 0.552 135 G N -2.285 106.714 108.800 0.333 0.000 2.664 135 G HA2 0.089 4.194 3.960 0.240 0.000 0.303 135 G HA3 0.089 4.152 3.960 0.171 0.000 0.303 135 G C -2.069 173.081 174.900 0.416 0.000 1.243 135 G CA 0.304 45.584 45.100 0.300 0.000 0.826 135 G HN -0.072 8.453 8.290 0.392 0.000 0.498 136 G N -2.024 106.940 108.800 0.274 0.000 2.664 136 G HA2 0.026 3.960 3.960 -0.045 0.000 0.242 136 G HA3 0.026 4.039 3.960 0.088 0.000 0.242 136 G C -1.300 173.703 174.900 0.172 0.000 1.225 136 G CA -0.669 44.506 45.100 0.124 0.000 0.849 136 G HN -0.077 8.327 8.290 0.190 0.000 0.581 137 Y N 2.860 123.129 120.300 -0.052 0.000 2.712 137 Y HA -0.289 4.242 4.550 -0.032 0.000 0.333 137 Y C -0.293 175.603 175.900 -0.006 0.000 1.225 137 Y CA 1.305 59.381 58.100 -0.039 0.000 1.499 137 Y CB 0.608 39.019 38.460 -0.081 0.000 1.288 137 Y HN -0.396 7.935 8.280 0.084 0.000 0.575 138 S N 5.041 120.273 115.700 -0.781 0.000 2.720 138 S HA 0.322 4.590 4.470 -0.337 0.000 0.278 138 S C -0.547 173.581 174.600 -0.787 0.000 1.172 138 S CA -1.931 55.912 58.200 -0.595 0.000 1.019 138 S CB 1.232 64.115 63.200 -0.528 0.000 1.049 138 S HN 0.048 7.743 8.310 -1.026 0.000 0.483 139 S N 8.865 124.257 115.700 -0.513 0.000 2.402 139 S HA -0.167 4.058 4.470 -0.407 0.000 0.229 139 S C 1.827 176.284 174.600 -0.239 0.000 1.021 139 S CA 2.720 60.734 58.200 -0.309 0.000 0.974 139 S CB -0.166 63.022 63.200 -0.021 0.000 0.800 139 S HN 0.497 8.636 8.310 -0.285 0.000 0.484 140 S N 2.941 118.508 115.700 -0.223 0.000 2.368 140 S HA -0.196 4.194 4.470 -0.132 0.000 0.224 140 S C 1.729 176.189 174.600 -0.234 0.000 1.029 140 S CA 3.344 61.436 58.200 -0.179 0.000 0.988 140 S CB -0.469 62.649 63.200 -0.137 0.000 0.838 140 S HN -0.542 7.620 8.310 -0.220 0.016 0.462 141 V N 2.530 122.219 119.914 -0.374 0.000 2.343 141 V HA -0.551 3.367 4.120 -0.336 0.000 0.247 141 V C 1.475 177.398 176.094 -0.285 0.000 1.051 141 V CA 4.433 66.487 62.300 -0.410 0.000 1.036 141 V CB -0.258 31.127 31.823 -0.731 0.000 0.654 141 V HN -0.411 7.507 8.190 -0.452 0.000 0.451 142 N N -0.730 117.790 118.700 -0.300 0.000 2.120 142 N HA -0.283 4.361 4.740 -0.160 0.000 0.188 142 N C 2.445 177.881 175.510 -0.123 0.000 1.024 142 N CA 2.910 55.846 53.050 -0.191 0.000 0.852 142 N CB -0.667 37.706 38.487 -0.189 0.000 1.003 142 N HN -0.373 7.779 8.380 -0.380 0.000 0.424 143 S N 1.206 116.832 115.700 -0.124 0.000 2.382 143 S HA -0.322 4.112 4.470 -0.060 0.000 0.228 143 S C 1.500 176.056 174.600 -0.074 0.000 1.027 143 S CA 3.991 62.143 58.200 -0.080 0.000 0.991 143 S CB -0.080 63.078 63.200 -0.071 0.000 0.823 143 S HN -0.039 8.180 8.310 -0.152 0.000 0.469 144 A N 1.471 124.235 122.820 -0.094 0.000 1.902 144 A HA -0.279 4.002 4.320 -0.064 0.000 0.217 144 A C 1.485 179.031 177.584 -0.063 0.000 1.181 144 A CA 2.985 54.976 52.037 -0.077 0.000 0.623 144 A CB -0.752 18.193 19.000 -0.090 0.000 0.818 144 A HN -0.386 7.693 8.150 -0.119 0.000 0.443 145 A N -1.981 120.797 122.820 -0.070 0.000 1.930 145 A HA -0.216 4.080 4.320 -0.040 0.000 0.217 145 A C 1.643 179.205 177.584 -0.036 0.000 1.175 145 A CA 2.660 54.668 52.037 -0.048 0.000 0.627 145 A CB -0.480 18.491 19.000 -0.048 0.000 0.815 145 A HN -0.377 7.719 8.150 -0.090 0.000 0.443 146 A N -1.355 121.442 122.820 -0.038 0.000 1.930 146 A HA -0.127 4.182 4.320 -0.018 0.000 0.217 146 A C 2.086 179.654 177.584 -0.026 0.000 1.175 146 A CA 2.520 54.541 52.037 -0.025 0.000 0.627 146 A CB -0.532 18.455 19.000 -0.023 0.000 0.815 146 A HN -0.079 7.962 8.150 -0.048 0.080 0.443 147 R N -1.254 119.225 120.500 -0.034 0.000 2.073 147 R HA -0.338 3.984 4.340 -0.030 0.000 0.234 147 R C 2.270 178.548 176.300 -0.038 0.000 1.134 147 R CA 3.218 59.297 56.100 -0.035 0.000 0.952 147 R CB -0.132 30.144 30.300 -0.039 0.000 0.850 147 R HN -0.151 8.095 8.270 -0.040 0.000 0.433 148 L N -0.536 120.662 121.223 -0.042 0.000 2.012 148 L HA -0.290 4.012 4.340 -0.064 0.000 0.210 148 L C 2.102 178.949 176.870 -0.038 0.000 1.073 148 L CA 3.125 57.934 54.840 -0.050 0.000 0.748 148 L CB -0.478 41.551 42.059 -0.051 0.000 0.891 148 L HN -0.284 7.921 8.230 -0.042 0.000 0.431 149 Q N 0.251 120.038 119.800 -0.023 0.000 2.030 149 Q HA -0.295 4.304 4.340 -0.006 -0.263 0.204 149 Q C 2.766 178.759 176.000 -0.012 0.000 0.986 149 Q CA 2.624 58.420 55.803 -0.010 0.000 0.843 149 Q CB -0.560 28.177 28.738 -0.003 0.000 0.904 149 Q HN -0.194 8.062 8.270 -0.022 0.000 0.420 150 S N -1.441 114.250 115.700 -0.015 0.000 2.400 150 S HA -0.229 4.235 4.470 -0.009 0.000 0.232 150 S C 1.714 176.303 174.600 -0.019 0.000 1.025 150 S CA 2.699 60.891 58.200 -0.014 0.000 0.993 150 S CB -0.054 63.137 63.200 -0.016 0.000 0.808 150 S HN -0.028 8.272 8.310 -0.018 0.000 0.478 151 S N -1.474 114.208 115.700 -0.029 0.000 2.555 151 S HA -0.107 4.343 4.470 -0.033 0.000 0.230 151 S C 0.786 175.368 174.600 -0.031 0.000 0.978 151 S CA 1.023 59.202 58.200 -0.036 0.000 0.934 151 S CB 0.998 64.165 63.200 -0.055 0.000 0.766 151 S HN -0.421 7.746 8.310 -0.032 0.123 0.533 152 G N 1.315 110.103 108.800 -0.020 0.000 2.151 152 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.156 152 G HA3 -0.284 3.669 3.960 -0.011 0.000 0.156 152 G C -2.394 172.506 174.900 -0.001 0.000 1.017 152 G CA -0.163 44.931 45.100 -0.010 0.000 0.686 152 G HN -0.335 7.780 8.290 -0.018 0.165 0.503 153 V N -1.332 118.581 119.914 -0.003 0.000 2.540 153 V HA 0.307 4.615 4.120 0.028 -0.171 0.302 153 V C -1.468 174.639 176.094 0.021 0.000 1.035 153 V CA -2.352 59.954 62.300 0.011 0.000 0.873 153 V CB 2.950 34.764 31.823 -0.015 0.000 0.992 153 V HN -0.937 7.247 8.190 -0.009 0.000 0.428 154 M N 7.826 127.450 119.600 0.039 0.000 2.341 154 M HA 0.122 4.624 4.480 0.036 0.000 0.336 154 M C -1.697 174.631 176.300 0.047 0.000 1.489 154 M CA -2.297 53.029 55.300 0.043 0.000 1.278 154 M CB -1.290 31.340 32.600 0.051 0.000 1.657 154 M HN 0.043 8.362 8.290 0.049 0.000 0.455 155 V N 8.808 128.743 119.914 0.035 0.000 2.385 155 V HA 0.168 4.460 4.120 0.042 -0.147 0.269 155 V C -1.996 174.121 176.094 0.039 0.000 1.043 155 V CA -0.742 61.579 62.300 0.035 0.000 0.906 155 V CB 0.562 32.396 31.823 0.018 0.000 0.995 155 V HN 0.455 8.986 8.190 0.029 -0.323 0.467 156 A N 8.269 131.118 122.820 0.048 0.000 2.318 156 A HA 0.931 5.446 4.320 0.041 -0.170 0.324 156 A C -1.956 175.655 177.584 0.045 0.000 1.170 156 A CA -2.319 49.746 52.037 0.046 0.000 0.810 156 A CB 2.605 21.637 19.000 0.054 0.000 1.198 156 A HN 0.694 8.876 8.150 0.054 0.000 0.484 157 V N -2.304 117.632 119.914 0.036 0.000 2.876 157 V HA 0.929 5.260 4.120 0.049 -0.182 0.312 157 V C -1.928 174.186 176.094 0.033 0.000 1.085 157 V CA -3.613 58.711 62.300 0.039 0.000 0.945 157 V CB 4.233 36.075 31.823 0.032 0.000 1.017 157 V HN 0.537 8.745 8.190 0.029 0.000 0.428 158 A N 2.849 125.697 122.820 0.046 0.000 2.425 158 A HA 0.285 4.626 4.320 0.035 0.000 0.249 158 A C -1.184 176.411 177.584 0.018 0.000 1.084 158 A CA -0.320 51.742 52.037 0.041 0.000 0.781 158 A CB 0.890 19.931 19.000 0.068 0.000 1.019 158 A HN -0.228 7.956 8.150 0.058 0.000 0.490 159 A N 0.455 123.269 122.820 -0.009 0.000 2.015 159 A HA -0.127 4.181 4.320 -0.019 0.000 0.219 159 A C -0.896 176.651 177.584 -0.063 0.000 1.163 159 A CA 1.216 53.234 52.037 -0.033 0.000 0.646 159 A CB 0.737 19.692 19.000 -0.075 0.000 0.806 159 A HN 0.150 8.293 8.150 -0.013 0.000 0.448 160 G N -5.312 103.454 108.800 -0.056 0.000 2.570 160 G HA2 -0.235 3.653 3.960 -0.120 0.000 0.686 160 G HA3 -0.235 3.532 3.960 -0.322 0.000 0.686 160 G C -2.855 172.006 174.900 -0.065 0.000 1.257 160 G CA -0.721 44.287 45.100 -0.153 0.000 0.846 160 G HN -0.748 7.512 8.290 -0.006 0.027 0.627 161 N N 0.720 119.376 118.700 -0.074 0.000 2.480 161 N HA 0.287 5.348 4.740 0.286 -0.150 0.281 161 N C -1.208 174.337 175.510 0.059 0.000 1.381 161 N CA -0.932 52.174 53.050 0.093 0.000 0.903 161 N CB 0.431 38.909 38.487 -0.015 0.000 1.274 161 N HN 0.241 8.526 8.380 -0.158 0.000 0.505 162 N N -0.112 118.563 118.700 -0.041 0.000 2.214 162 N HA 0.049 4.814 4.740 0.041 0.000 0.214 162 N C -0.517 175.039 175.510 0.077 0.000 1.132 162 N CA -0.755 52.295 53.050 -0.001 0.000 0.856 162 N CB 0.646 39.094 38.487 -0.065 0.000 1.020 162 N HN -0.541 7.996 8.380 -0.127 -0.233 0.509 163 N N -1.419 117.356 118.700 0.125 0.000 2.705 163 N HA -0.439 4.642 4.740 0.277 -0.175 0.255 163 N C -1.602 174.052 175.510 0.239 0.000 1.008 163 N CA 1.184 54.368 53.050 0.223 0.000 0.742 163 N CB -1.140 37.476 38.487 0.214 0.000 0.906 163 N HN -0.304 8.164 8.380 0.137 -0.006 0.541 164 A N -3.934 118.853 122.820 -0.055 0.000 2.564 164 A HA 0.294 4.566 4.320 -0.079 0.000 0.288 164 A C -2.693 174.415 177.584 -0.794 0.000 1.164 164 A CA -1.503 50.398 52.037 -0.227 0.000 0.712 164 A CB 3.837 22.875 19.000 0.064 0.000 1.303 164 A HN -0.370 8.002 8.150 -0.129 -0.300 0.418 165 D N -0.173 119.902 120.400 -0.543 0.000 2.371 165 D HA 0.048 4.462 4.640 -0.711 -0.201 0.256 165 D C 1.029 177.289 176.300 -0.066 0.000 1.193 165 D CA 0.359 54.115 54.000 -0.408 0.000 0.881 165 D CB 0.379 41.123 40.800 -0.094 0.000 1.143 165 D HN -0.046 8.171 8.370 -0.256 0.000 0.473 166 A N 7.482 130.270 122.820 -0.054 0.000 2.172 166 A HA -0.212 4.274 4.320 0.276 0.000 0.216 166 A C 1.287 178.976 177.584 0.175 0.000 1.154 166 A CA 2.030 54.144 52.037 0.129 0.000 0.701 166 A CB -0.070 18.952 19.000 0.037 0.000 0.789 166 A HN 0.693 8.760 8.150 -0.138 0.000 0.465 167 R N -2.589 117.962 120.500 0.086 0.000 2.249 167 R HA -0.265 4.126 4.340 0.085 0.000 0.230 167 R C 0.752 177.080 176.300 0.047 0.000 1.121 167 R CA 2.360 58.498 56.100 0.063 0.000 0.997 167 R CB -0.415 29.895 30.300 0.016 0.000 0.867 167 R HN 0.002 8.599 8.270 0.048 -0.298 0.465 168 N N -2.600 116.096 118.700 -0.008 0.000 2.251 168 N HA 0.147 4.810 4.740 -0.129 0.000 0.217 168 N C -1.975 173.254 175.510 -0.469 0.000 1.124 168 N CA -0.215 52.699 53.050 -0.226 0.000 0.843 168 N CB 1.320 39.591 38.487 -0.360 0.000 1.024 168 N HN -0.683 7.679 8.380 0.050 0.048 0.501 169 Y N -1.749 118.631 120.300 0.133 0.000 2.576 169 Y HA 0.374 5.134 4.550 0.136 -0.129 0.346 169 Y C -1.286 174.665 175.900 0.086 0.000 1.018 169 Y CA -1.087 57.081 58.100 0.114 0.000 1.050 169 Y CB 4.301 42.803 38.460 0.069 0.000 1.280 169 Y HN -0.297 8.056 8.280 0.220 0.059 0.474 170 S N -0.716 115.094 115.700 0.183 0.000 2.536 170 S HA 0.682 5.200 4.470 -0.006 -0.051 0.287 170 S C -1.968 172.657 174.600 0.042 0.000 1.101 170 S CA -2.655 55.544 58.200 -0.001 0.000 0.950 170 S CB 2.631 65.671 63.200 -0.267 0.000 1.056 170 S HN 0.401 8.862 8.310 0.252 0.000 0.481 171 P HA 0.336 4.900 4.420 -0.105 -0.208 0.253 171 P C 0.514 177.821 177.300 0.011 0.000 1.260 171 P CA 0.532 63.605 63.100 -0.045 0.000 0.800 171 P CB 0.432 32.105 31.700 -0.045 0.000 1.162 172 A N 1.547 124.403 122.820 0.060 0.000 1.927 172 A HA -0.269 4.077 4.320 0.044 0.000 0.220 172 A C 1.518 179.144 177.584 0.070 0.000 1.185 172 A CA 2.816 54.893 52.037 0.067 0.000 0.639 172 A CB -0.998 18.060 19.000 0.096 0.000 0.820 172 A HN 0.448 8.577 8.150 0.084 0.072 0.451 173 S N -4.353 111.406 115.700 0.100 0.000 2.650 173 S HA -0.109 4.423 4.470 0.103 0.000 0.219 173 S C 0.027 174.684 174.600 0.095 0.000 0.960 173 S CA 0.209 58.482 58.200 0.121 0.000 0.925 173 S CB -0.082 63.249 63.200 0.218 0.000 0.775 173 S HN -0.451 7.908 8.310 0.109 0.017 0.525 174 E N 3.459 123.687 120.200 0.046 0.000 2.223 174 E HA 0.195 4.570 4.350 0.042 0.000 0.282 174 E C -0.534 176.085 176.600 0.031 0.000 1.046 174 E CA -2.772 53.645 56.400 0.028 0.000 0.857 174 E CB 0.533 30.227 29.700 -0.010 0.000 1.055 174 E HN -0.667 7.650 8.360 0.031 0.062 0.409 175 P HA -0.036 4.405 4.420 0.035 0.000 0.221 175 P C -0.296 177.019 177.300 0.025 0.000 1.150 175 P CA 1.465 64.584 63.100 0.032 0.000 0.800 175 P CB 0.429 32.149 31.700 0.033 0.000 0.787 176 S N -3.637 112.075 115.700 0.019 0.000 2.562 176 S HA -0.071 4.411 4.470 0.020 0.000 0.221 176 S C 0.821 175.431 174.600 0.017 0.000 0.975 176 S CA 0.790 59.001 58.200 0.017 0.000 0.918 176 S CB 0.819 64.025 63.200 0.010 0.000 0.772 176 S HN -0.273 8.313 8.310 0.016 -0.267 0.531 177 V N -5.497 114.427 119.914 0.016 0.000 3.302 177 V HA 0.323 4.455 4.120 0.020 0.000 0.316 177 V C -0.690 175.418 176.094 0.023 0.000 1.111 177 V CA -3.170 59.140 62.300 0.018 0.000 1.029 177 V CB 2.369 34.200 31.823 0.012 0.000 1.170 177 V HN -0.904 7.256 8.190 0.015 0.038 0.452 178 c N 1.926 120.542 118.600 0.026 0.000 2.223 178 c HA 0.210 4.966 4.570 0.027 -0.169 0.324 178 c C -0.532 173.567 174.090 0.015 0.000 1.196 178 c CA -1.220 55.125 56.329 0.027 0.000 1.628 178 c CB -1.638 40.897 42.510 0.040 0.000 2.229 178 c HN 0.252 8.498 8.230 0.028 0.000 0.486 179 T N 11.710 126.264 114.554 -0.000 0.000 2.743 179 T HA 0.481 4.999 4.350 -0.009 -0.173 0.293 179 T C -0.967 173.690 174.700 -0.073 0.000 0.945 179 T CA 0.349 62.437 62.100 -0.021 0.000 1.030 179 T CB 0.573 69.433 68.868 -0.014 0.000 0.912 179 T HN 0.564 9.149 8.240 0.001 -0.344 0.483 180 V N 8.151 128.018 119.914 -0.078 0.000 2.378 180 V HA 0.577 4.799 4.120 -0.170 -0.204 0.288 180 V C -0.794 175.183 176.094 -0.196 0.000 1.016 180 V CA -1.820 60.406 62.300 -0.124 0.000 0.840 180 V CB 1.682 33.489 31.823 -0.027 0.000 0.994 180 V HN 0.501 8.663 8.190 -0.047 0.000 0.431 181 G N 5.934 114.440 108.800 -0.490 0.000 2.522 181 G HA2 0.537 4.351 3.960 -0.244 0.000 0.304 181 G HA3 0.537 3.850 3.960 -1.080 0.000 0.304 181 G C -2.773 172.066 174.900 -0.102 0.000 1.210 181 G CA -1.943 42.842 45.100 -0.525 0.000 0.960 181 G HN 0.356 8.219 8.290 -0.711 0.000 0.497 182 A N -1.670 121.275 122.820 0.208 0.000 2.350 182 A HA 1.153 5.831 4.320 0.250 -0.208 0.324 182 A C -0.927 176.850 177.584 0.322 0.000 1.118 182 A CA -2.261 49.942 52.037 0.277 0.000 0.783 182 A CB 2.936 22.093 19.000 0.261 0.000 1.236 182 A HN -0.046 8.237 8.150 0.222 0.000 0.457 183 S N 1.301 117.160 115.700 0.264 0.000 2.677 183 S HA 1.007 5.728 4.470 0.073 -0.207 0.304 183 S C -0.914 173.828 174.600 0.236 0.000 1.108 183 S CA -2.182 56.119 58.200 0.168 0.000 0.944 183 S CB 3.266 66.553 63.200 0.145 0.000 1.127 183 S HN 0.461 8.927 8.310 0.260 0.000 0.511 184 D N -0.348 120.108 120.400 0.094 0.000 2.506 184 D HA 0.461 5.179 4.640 0.130 0.000 0.254 184 D C 1.306 177.302 176.300 -0.507 0.000 1.089 184 D CA -2.164 51.806 54.000 -0.049 0.000 1.050 184 D CB 2.725 43.485 40.800 -0.067 0.000 1.221 184 D HN 0.239 8.621 8.370 0.019 0.000 0.589 185 R N -4.142 115.591 120.500 -1.279 0.000 2.316 185 R HA -0.208 2.919 4.340 -2.021 0.000 0.202 185 R C -0.474 175.226 176.300 -1.001 0.000 1.029 185 R CA 2.020 57.066 56.100 -1.756 0.000 1.018 185 R CB -0.916 28.093 30.300 -2.152 0.000 0.888 185 R HN 0.327 7.900 8.270 -1.160 0.000 0.471 186 Y N -3.364 116.720 120.300 -0.360 0.000 2.607 186 Y HA -0.005 4.434 4.550 -0.184 0.000 0.266 186 Y C -1.356 174.458 175.900 -0.143 0.000 1.178 186 Y CA -0.844 57.133 58.100 -0.204 0.000 1.226 186 Y CB -0.459 37.898 38.460 -0.171 0.000 1.144 186 Y HN -0.585 7.669 8.280 -0.387 -0.205 0.528 187 D N -3.278 117.084 120.400 -0.063 0.000 2.870 187 D HA -0.367 4.257 4.640 -0.028 0.000 0.228 187 D C -1.497 174.770 176.300 -0.054 0.000 1.147 187 D CA 1.869 55.846 54.000 -0.037 0.000 0.757 187 D CB -1.666 39.118 40.800 -0.027 0.000 1.091 187 D HN -0.270 7.853 8.370 -0.139 0.162 0.429 188 R N -2.502 117.969 120.500 -0.049 0.000 2.428 188 R HA 0.402 4.803 4.340 -0.096 -0.119 0.294 188 R C -0.040 176.191 176.300 -0.114 0.000 1.000 188 R CA -1.193 54.860 56.100 -0.079 0.000 0.960 188 R CB 1.767 32.037 30.300 -0.050 0.000 1.076 188 R HN -0.378 8.139 8.270 -0.033 -0.267 0.475 189 R N 4.954 125.348 120.500 -0.176 0.000 2.537 189 R HA -0.366 3.986 4.340 -0.177 -0.118 0.281 189 R C -0.149 176.068 176.300 -0.138 0.000 0.988 189 R CA 1.321 57.320 56.100 -0.168 0.000 1.077 189 R CB 0.323 30.527 30.300 -0.160 0.000 0.932 189 R HN -0.098 8.055 8.270 -0.196 0.000 0.409 190 S N 6.908 122.496 115.700 -0.186 0.000 2.560 190 S HA 0.003 4.287 4.470 -0.310 0.000 0.284 190 S C 1.769 176.062 174.600 -0.512 0.000 1.327 190 S CA 1.113 59.040 58.200 -0.454 0.000 1.055 190 S CB 0.653 63.300 63.200 -0.923 0.000 0.868 190 S HN 0.147 8.278 8.310 -0.114 0.110 0.506 191 S N 3.953 119.424 115.700 -0.382 0.000 2.447 191 S HA -0.225 4.187 4.470 -0.097 0.000 0.233 191 S C 0.811 175.375 174.600 -0.060 0.000 1.006 191 S CA 2.954 61.071 58.200 -0.138 0.000 0.957 191 S CB 0.018 63.211 63.200 -0.012 0.000 0.773 191 S HN 0.720 8.835 8.310 -0.325 0.000 0.507 192 F N -4.301 115.705 119.950 0.094 0.000 2.776 192 F HA 0.163 4.736 4.527 0.077 0.000 0.300 192 F C -0.549 175.307 175.800 0.093 0.000 1.116 192 F CA -2.194 55.855 58.000 0.082 0.000 1.375 192 F CB -0.669 38.366 39.000 0.058 0.000 1.109 192 F HN -0.446 7.316 8.300 -0.847 0.030 0.585 193 S N 3.588 119.241 115.700 -0.079 0.000 2.510 193 S HA -0.158 4.468 4.470 0.259 0.000 0.279 193 S C 0.066 174.778 174.600 0.187 0.000 1.284 193 S CA 0.289 58.559 58.200 0.117 0.000 1.059 193 S CB 0.808 64.060 63.200 0.087 0.000 0.901 193 S HN -0.509 7.428 8.310 -0.359 0.158 0.491 194 N N 7.745 126.503 118.700 0.097 0.000 2.267 194 N HA -0.047 4.745 4.740 -0.101 -0.112 0.226 194 N C -0.503 175.059 175.510 0.086 0.000 1.314 194 N CA 1.271 54.300 53.050 -0.035 0.000 0.887 194 N CB 0.625 39.020 38.487 -0.154 0.000 1.120 194 N HN -0.042 8.385 8.380 0.078 0.000 0.440 195 Y N -6.327 114.033 120.300 0.100 0.000 2.896 195 Y HA 0.104 4.731 4.550 0.129 0.000 0.317 195 Y C -2.122 173.839 175.900 0.102 0.000 1.444 195 Y CA -1.733 56.444 58.100 0.128 0.000 1.084 195 Y CB 1.944 40.504 38.460 0.167 0.000 1.382 195 Y HN 0.085 7.972 8.280 -0.654 0.000 0.471 196 G N -2.921 106.098 108.800 0.365 0.000 2.355 196 G HA2 -0.212 3.939 3.960 0.318 0.000 0.619 196 G HA3 -0.212 3.973 3.960 0.133 -0.145 0.619 196 G C -0.068 174.922 174.900 0.150 0.000 1.337 196 G CA -0.261 44.980 45.100 0.235 0.000 0.993 196 G HN -0.294 8.261 8.290 0.442 0.000 0.599 197 S N -0.554 115.214 115.700 0.113 0.000 2.442 197 S HA -0.270 4.244 4.470 0.073 0.000 0.236 197 S C 1.019 175.655 174.600 0.059 0.000 1.007 197 S CA 2.181 60.427 58.200 0.076 0.000 0.965 197 S CB -0.063 63.174 63.200 0.062 0.000 0.773 197 S HN 0.475 8.855 8.310 0.116 0.000 0.504 198 V N -0.457 119.490 119.914 0.056 0.000 3.041 198 V HA -0.101 4.043 4.120 0.040 0.000 0.260 198 V C -0.839 175.270 176.094 0.025 0.000 1.105 198 V CA -0.134 62.191 62.300 0.042 0.000 1.125 198 V CB 0.237 32.088 31.823 0.048 0.000 0.730 198 V HN -0.169 8.022 8.190 0.061 0.036 0.479 199 L N -1.853 119.381 121.223 0.018 0.000 2.485 199 L HA -0.278 4.024 4.340 -0.064 0.000 0.275 199 L C -0.092 176.772 176.870 -0.011 0.000 1.207 199 L CA 1.732 56.551 54.840 -0.035 0.000 0.855 199 L CB 0.123 42.133 42.059 -0.082 0.000 1.114 199 L HN -0.774 7.454 8.230 0.039 0.025 0.485 200 D N 1.218 121.599 120.400 -0.032 0.000 2.422 200 D HA 0.132 4.788 4.640 0.027 0.000 0.218 200 D C -0.409 175.906 176.300 0.025 0.000 1.047 200 D CA 1.615 55.620 54.000 0.009 0.000 0.885 200 D CB 3.206 44.016 40.800 0.017 0.000 1.035 200 D HN 0.341 8.673 8.370 -0.064 0.000 0.502 201 I N -4.859 115.693 120.570 -0.031 0.000 2.793 201 I HA 0.075 4.324 4.170 0.132 0.000 0.295 201 I C -3.036 173.023 176.117 -0.097 0.000 1.610 201 I CA -0.276 61.046 61.300 0.036 0.000 0.986 201 I CB 3.563 41.597 38.000 0.056 0.000 1.402 201 I HN -0.870 7.266 8.210 -0.123 0.000 0.500 202 F N 3.260 123.241 119.950 0.051 0.000 2.507 202 F HA 0.721 5.452 4.527 0.053 -0.173 0.327 202 F C -0.707 175.114 175.800 0.035 0.000 1.068 202 F CA -2.178 55.850 58.000 0.046 0.000 0.965 202 F CB 4.071 43.095 39.000 0.039 0.000 1.192 202 F HN 0.273 8.798 8.300 0.376 0.000 0.476 203 G N -0.978 107.924 108.800 0.169 0.000 2.680 203 G HA2 0.566 4.544 3.960 0.031 0.000 0.290 203 G HA3 0.566 4.527 3.960 0.001 0.000 0.290 203 G C -3.454 171.427 174.900 -0.031 0.000 1.355 203 G CA -2.293 42.829 45.100 0.038 0.000 0.903 203 G HN 0.525 8.909 8.290 0.157 0.000 0.474 204 P HA -0.131 4.410 4.420 -0.010 -0.126 0.263 204 P C -1.058 176.155 177.300 -0.146 0.000 1.195 204 P CA 0.652 63.520 63.100 -0.387 0.000 0.762 204 P CB 0.079 31.028 31.700 -1.252 0.000 0.799 205 G N 2.162 111.072 108.800 0.183 0.000 3.040 205 G HA2 0.219 4.324 3.960 0.242 0.000 0.214 205 G HA3 0.219 4.376 3.960 0.329 0.000 0.214 205 G C -1.472 173.684 174.900 0.428 0.000 1.093 205 G CA 0.808 46.084 45.100 0.293 0.000 0.931 205 G HN 0.783 9.257 8.290 0.308 0.000 0.632 206 T N 4.255 119.099 114.554 0.483 0.000 2.749 206 T HA 0.302 4.931 4.350 0.465 0.000 0.287 206 T C -1.525 173.468 174.700 0.488 0.000 0.970 206 T CA 0.819 63.192 62.100 0.456 0.000 0.980 206 T CB 0.705 69.762 68.868 0.317 0.000 0.924 206 T HN -0.703 7.863 8.240 0.544 0.000 0.456 207 D N 3.403 124.008 120.400 0.342 0.000 2.848 207 D HA -0.433 4.329 4.640 0.204 0.000 0.245 207 D C -1.744 174.786 176.300 0.382 0.000 1.122 207 D CA 1.890 56.075 54.000 0.308 0.000 0.769 207 D CB -1.636 39.321 40.800 0.261 0.000 1.025 207 D HN 0.388 8.926 8.370 0.279 0.000 0.423 208 I N -0.364 120.358 120.570 0.254 0.000 2.312 208 I HA 0.127 4.338 4.170 0.068 0.000 0.290 208 I C -1.161 175.057 176.117 0.168 0.000 1.008 208 I CA -2.869 58.530 61.300 0.165 0.000 1.226 208 I CB -0.611 37.508 38.000 0.199 0.000 1.371 208 I HN 0.054 8.399 8.210 0.226 0.000 0.468 209 L N 9.202 130.455 121.223 0.050 0.000 2.331 209 L HA 0.161 4.667 4.340 -0.014 -0.174 0.278 209 L C -1.172 175.500 176.870 -0.330 0.000 1.106 209 L CA -0.289 54.512 54.840 -0.066 0.000 0.824 209 L CB 0.768 42.803 42.059 -0.039 0.000 1.142 209 L HN 0.447 8.699 8.230 0.037 0.000 0.443 210 S N 3.804 119.144 115.700 -0.600 0.000 2.703 210 S HA 0.221 4.129 4.470 -0.937 0.000 0.273 210 S C -1.719 172.428 174.600 -0.756 0.000 1.178 210 S CA -1.831 55.825 58.200 -0.908 0.000 0.838 210 S CB 1.255 63.728 63.200 -1.212 0.000 1.178 210 S HN 0.341 8.410 8.310 -0.402 0.000 0.494 211 T N -0.350 113.864 114.554 -0.567 0.000 2.903 211 T HA -0.025 4.267 4.350 -0.310 -0.128 0.314 211 T C -1.032 173.748 174.700 0.133 0.000 1.078 211 T CA 0.659 62.567 62.100 -0.320 0.000 1.114 211 T CB 0.476 68.987 68.868 -0.595 0.000 0.987 211 T HN 0.182 8.104 8.240 -0.529 0.000 0.548 212 W N 1.330 122.642 121.300 0.019 0.000 3.047 212 W HA 0.314 5.041 4.660 0.111 0.000 0.341 212 W C -1.116 175.503 176.519 0.167 0.000 1.225 212 W CA -1.257 56.151 57.345 0.104 0.000 1.150 212 W CB 4.544 34.051 29.460 0.078 0.000 1.470 212 W HN 0.175 8.490 8.180 0.361 0.082 0.578 213 I N -5.179 115.304 120.570 -0.146 0.000 3.004 213 I HA -0.205 4.081 4.170 0.036 -0.094 0.287 213 I C -0.151 176.030 176.117 0.107 0.000 1.144 213 I CA 0.744 62.017 61.300 -0.045 0.000 1.353 213 I CB 0.010 37.888 38.000 -0.205 0.000 1.417 213 I HN 0.137 7.867 8.210 -0.800 0.000 0.602 214 G N 2.816 111.645 108.800 0.049 0.000 2.160 214 G HA2 -0.447 3.518 3.960 0.009 0.000 0.251 214 G HA3 -0.447 3.550 3.960 0.062 0.000 0.251 214 G C 0.188 175.068 174.900 -0.034 0.000 1.008 214 G CA 0.094 45.213 45.100 0.031 0.000 0.724 214 G HN 0.359 9.032 8.290 0.025 -0.368 0.514 215 G N -2.942 105.770 108.800 -0.146 0.000 2.249 215 G HA2 -0.402 2.816 3.960 -1.237 0.000 0.273 215 G HA3 -0.402 3.301 3.960 -0.428 0.000 0.273 215 G C -0.624 174.112 174.900 -0.272 0.000 1.036 215 G CA 0.308 45.083 45.100 -0.542 0.000 0.824 215 G HN -0.229 8.240 8.290 -0.081 -0.227 0.504 216 S N -0.607 115.139 115.700 0.076 0.000 2.801 216 S HA 0.593 5.119 4.470 0.094 0.000 0.312 216 S C -1.591 173.165 174.600 0.260 0.000 1.112 216 S CA -1.444 56.855 58.200 0.165 0.000 0.943 216 S CB 1.136 64.438 63.200 0.170 0.000 1.269 216 S HN -0.456 7.956 8.310 0.170 0.000 0.558 217 T N -2.935 111.685 114.554 0.110 0.000 2.894 217 T HA 0.757 5.236 4.350 -0.007 -0.134 0.309 217 T C -1.375 173.277 174.700 -0.079 0.000 1.208 217 T CA -1.159 60.922 62.100 -0.031 0.000 1.016 217 T CB 3.155 71.896 68.868 -0.212 0.000 1.192 217 T HN -0.026 8.255 8.240 0.069 0.000 0.491 218 R N -0.650 119.784 120.500 -0.111 0.000 2.728 218 R HA 0.349 4.595 4.340 -0.155 0.000 0.274 218 R C -2.728 173.539 176.300 -0.054 0.000 1.030 218 R CA -1.196 54.799 56.100 -0.175 0.000 0.876 218 R CB 2.835 32.878 30.300 -0.428 0.000 1.259 218 R HN 0.469 8.703 8.270 -0.061 0.000 0.468 219 S N 2.023 117.677 115.700 -0.077 0.000 2.437 219 S HA 0.756 5.445 4.470 0.126 -0.143 0.305 219 S C -0.316 174.234 174.600 -0.083 0.000 1.109 219 S CA -1.676 56.533 58.200 0.014 0.000 1.099 219 S CB 0.520 63.740 63.200 0.032 0.000 1.004 219 S HN 0.218 8.456 8.310 -0.121 0.000 0.475 220 I N 1.117 121.625 120.570 -0.102 0.000 3.264 220 I HA 0.546 4.637 4.170 -0.131 0.000 0.315 220 I C -2.277 173.810 176.117 -0.049 0.000 1.154 220 I CA -1.700 59.497 61.300 -0.172 0.000 0.962 220 I CB 3.882 41.670 38.000 -0.353 0.000 1.265 220 I HN -0.301 7.893 8.210 -0.027 0.000 0.463 221 S N 0.564 116.231 115.700 -0.055 0.000 2.548 221 S HA 0.848 5.575 4.470 0.145 -0.169 0.286 221 S C -0.792 173.713 174.600 -0.157 0.000 1.098 221 S CA -1.168 57.047 58.200 0.026 0.000 0.930 221 S CB 2.747 66.010 63.200 0.105 0.000 1.070 221 S HN 0.058 8.304 8.310 -0.108 0.000 0.480 222 G N 2.395 111.189 108.800 -0.010 0.000 2.339 222 G HA2 -0.007 3.582 3.960 -0.619 0.000 0.302 222 G HA3 -0.007 3.858 3.960 -0.159 0.000 0.302 222 G C 0.125 175.191 174.900 0.277 0.000 1.425 222 G CA 0.723 45.752 45.100 -0.118 0.000 0.899 222 G HN 0.311 8.751 8.290 0.250 0.000 0.619 223 T N -2.252 112.490 114.554 0.313 0.000 2.977 223 T HA -0.243 4.262 4.350 0.258 0.000 0.271 223 T C 1.433 176.224 174.700 0.152 0.000 1.105 223 T CA 3.265 65.505 62.100 0.232 0.000 1.116 223 T CB -0.177 68.793 68.868 0.169 0.000 0.878 223 T HN 0.314 9.067 8.240 0.296 -0.335 0.509 224 S N 3.086 118.868 115.700 0.137 0.000 2.419 224 S HA -0.154 4.395 4.470 0.131 0.000 0.233 224 S C 1.400 176.050 174.600 0.084 0.000 1.016 224 S CA 4.005 62.281 58.200 0.126 0.000 0.974 224 S CB -0.834 62.491 63.200 0.209 0.000 0.786 224 S HN 0.320 8.677 8.310 0.127 0.029 0.492 225 M N 1.052 120.726 119.600 0.123 0.000 2.435 225 M HA -0.044 4.520 4.480 0.140 0.000 0.265 225 M C 1.139 177.587 176.300 0.247 0.000 1.104 225 M CA 1.678 57.078 55.300 0.167 0.000 1.140 225 M CB -0.361 32.359 32.600 0.200 0.000 1.372 225 M HN -0.312 7.908 8.290 0.143 0.155 0.456 226 A N 0.739 123.686 122.820 0.212 0.000 1.897 226 A HA -0.025 4.602 4.320 0.196 -0.190 0.215 226 A C 1.871 179.559 177.584 0.173 0.000 1.181 226 A CA 2.993 55.142 52.037 0.187 0.000 0.620 226 A CB -0.819 18.259 19.000 0.130 0.000 0.821 226 A HN -0.558 7.709 8.150 0.194 0.000 0.443 227 T N -0.482 114.145 114.554 0.122 0.000 2.665 227 T HA -0.253 4.142 4.350 0.074 0.000 0.268 227 T C -0.813 173.933 174.700 0.076 0.000 1.035 227 T CA 6.151 68.303 62.100 0.086 0.000 1.151 227 T CB -2.140 66.772 68.868 0.074 0.000 0.862 227 T HN -0.393 7.919 8.240 0.120 0.000 0.438 228 P HA 0.139 4.561 4.420 0.003 0.000 0.229 228 P C 1.738 179.005 177.300 -0.054 0.000 1.160 228 P CA 2.382 65.474 63.100 -0.013 0.000 0.777 228 P CB -0.373 31.288 31.700 -0.065 0.000 0.814 229 H N 0.240 119.282 119.070 -0.046 0.000 2.319 229 H HA -0.261 4.230 4.556 -0.109 0.000 0.299 229 H C 2.528 177.838 175.328 -0.029 0.000 1.092 229 H CA 4.974 60.977 56.048 -0.074 0.000 1.302 229 H CB -0.320 29.384 29.762 -0.096 0.000 1.373 229 H HN -0.761 7.590 8.280 0.144 0.015 0.497 230 V N -0.880 119.115 119.914 0.135 0.000 2.358 230 V HA -0.567 3.619 4.120 0.110 0.000 0.246 230 V C 1.336 177.478 176.094 0.081 0.000 1.047 230 V CA 4.167 66.528 62.300 0.101 0.000 1.035 230 V CB -0.299 31.577 31.823 0.088 0.000 0.658 230 V HN -0.691 7.586 8.190 0.146 0.000 0.452 231 A N -0.374 122.483 122.820 0.061 0.000 1.877 231 A HA -0.227 4.131 4.320 0.063 0.000 0.216 231 A C 2.123 179.734 177.584 0.044 0.000 1.186 231 A CA 3.119 55.188 52.037 0.053 0.000 0.620 231 A CB -0.693 18.333 19.000 0.044 0.000 0.822 231 A HN 0.029 8.213 8.150 0.058 0.000 0.443 232 G N -2.142 106.665 108.800 0.013 0.000 2.422 232 G HA2 -0.280 3.684 3.960 0.006 0.000 0.218 232 G HA3 -0.280 3.655 3.960 -0.042 0.000 0.218 232 G C 0.881 175.817 174.900 0.061 0.000 1.146 232 G CA 1.714 46.815 45.100 0.003 0.000 0.769 232 G HN -0.132 8.154 8.290 -0.007 0.000 0.547 233 L N 2.133 123.399 121.223 0.071 0.000 2.046 233 L HA -0.324 4.090 4.340 0.122 0.000 0.208 233 L C 1.269 178.254 176.870 0.192 0.000 1.077 233 L CA 2.648 57.566 54.840 0.129 0.000 0.747 233 L CB -0.391 41.739 42.059 0.118 0.000 0.896 233 L HN -0.309 7.879 8.230 0.058 0.078 0.432 234 A N -1.328 121.574 122.820 0.137 0.000 1.883 234 A HA -0.469 3.929 4.320 0.130 0.000 0.217 234 A C 1.509 179.151 177.584 0.097 0.000 1.186 234 A CA 3.259 55.366 52.037 0.117 0.000 0.624 234 A CB -1.037 18.017 19.000 0.090 0.000 0.822 234 A HN 0.032 8.250 8.150 0.114 0.000 0.444 235 A N -0.923 121.953 122.820 0.092 0.000 1.902 235 A HA -0.345 4.001 4.320 0.044 0.000 0.217 235 A C 1.406 179.040 177.584 0.083 0.000 1.181 235 A CA 2.797 54.873 52.037 0.066 0.000 0.623 235 A CB -0.713 18.316 19.000 0.048 0.000 0.818 235 A HN -0.434 7.770 8.150 0.090 0.000 0.443 236 Y N -0.133 120.169 120.300 0.003 0.000 2.128 236 Y HA -0.438 4.110 4.550 -0.002 0.000 0.284 236 Y C 1.742 177.645 175.900 0.005 0.000 1.154 236 Y CA 3.994 62.099 58.100 0.007 0.000 1.149 236 Y CB 0.122 38.598 38.460 0.028 0.000 0.976 236 Y HN -0.378 8.057 8.280 0.258 0.000 0.505 237 L N -2.622 118.644 121.223 0.073 0.000 2.156 237 L HA -0.481 3.743 4.340 -0.193 0.000 0.208 237 L C 1.937 178.714 176.870 -0.156 0.000 1.095 237 L CA 2.816 57.610 54.840 -0.077 0.000 0.770 237 L CB -0.369 41.719 42.059 0.048 0.000 0.914 237 L HN -0.094 8.275 8.230 0.232 0.000 0.439 238 M N -0.662 118.884 119.600 -0.090 0.000 2.117 238 M HA -0.317 4.254 4.480 -0.115 -0.160 0.262 238 M C 3.334 179.572 176.300 -0.104 0.000 1.065 238 M CA 3.777 59.022 55.300 -0.091 0.000 1.114 238 M CB 0.075 32.651 32.600 -0.039 0.000 1.361 238 M HN 0.199 8.468 8.290 -0.036 0.000 0.408 239 T N 1.445 115.932 114.554 -0.112 0.000 2.833 239 T HA -0.292 4.008 4.350 -0.083 0.000 0.269 239 T C 0.892 175.501 174.700 -0.152 0.000 1.054 239 T CA 4.380 66.410 62.100 -0.116 0.000 1.135 239 T CB -0.138 68.664 68.868 -0.110 0.000 0.869 239 T HN -0.265 7.913 8.240 -0.103 0.000 0.466 240 L N -4.277 116.811 121.223 -0.225 0.000 2.552 240 L HA -0.178 4.055 4.340 -0.179 0.000 0.227 240 L C 0.306 177.090 176.870 -0.143 0.000 1.146 240 L CA 0.306 55.021 54.840 -0.208 0.000 0.858 240 L CB 0.329 42.214 42.059 -0.291 0.000 0.969 240 L HN -0.726 7.236 8.230 -0.274 0.104 0.451 241 G N -3.190 105.526 108.800 -0.139 0.000 2.143 241 G HA2 -0.342 3.554 3.960 -0.107 0.000 0.249 241 G HA3 -0.342 3.562 3.960 -0.093 0.000 0.249 241 G C 0.811 175.623 174.900 -0.147 0.000 0.981 241 G CA 0.594 45.624 45.100 -0.117 0.000 0.665 241 G HN -0.502 7.525 8.290 -0.147 0.176 0.528 242 K N -1.921 118.347 120.400 -0.220 0.000 2.296 242 K HA 0.039 4.232 4.320 -0.213 0.000 0.200 242 K C -0.096 176.184 176.600 -0.534 0.000 1.048 242 K CA 0.560 56.647 56.287 -0.333 0.000 0.966 242 K CB 0.594 32.854 32.500 -0.400 0.000 0.754 242 K HN -0.113 7.972 8.250 -0.226 0.030 0.466 243 T N -3.439 110.868 114.554 -0.412 0.000 2.693 243 T HA 0.148 4.337 4.350 -0.269 0.000 0.304 243 T C -2.049 172.554 174.700 -0.161 0.000 1.471 243 T CA -0.947 60.950 62.100 -0.338 0.000 0.993 243 T CB 1.236 69.801 68.868 -0.506 0.000 1.554 243 T HN -0.772 7.246 8.240 -0.311 0.036 0.496 244 T N -1.804 112.697 114.554 -0.090 0.000 2.888 244 T HA 0.464 4.786 4.350 -0.047 0.000 0.288 244 T C -0.211 174.481 174.700 -0.014 0.000 1.063 244 T CA -2.691 59.383 62.100 -0.043 0.000 1.010 244 T CB 3.532 72.385 68.868 -0.027 0.000 1.214 244 T HN -0.237 7.958 8.240 -0.075 0.000 0.533 245 A N 0.978 123.798 122.820 -0.001 0.000 1.940 245 A HA -0.250 4.083 4.320 0.021 0.000 0.219 245 A C 0.767 178.363 177.584 0.020 0.000 1.176 245 A CA 2.865 54.911 52.037 0.015 0.000 0.631 245 A CB -0.522 18.488 19.000 0.017 0.000 0.814 245 A HN 0.532 8.680 8.150 -0.003 0.000 0.446 246 A N -5.308 117.521 122.820 0.014 0.000 2.014 246 A HA -0.133 4.198 4.320 0.018 0.000 0.218 246 A C 0.564 178.166 177.584 0.031 0.000 1.163 246 A CA 1.893 53.942 52.037 0.019 0.000 0.652 246 A CB 0.336 19.344 19.000 0.013 0.000 0.808 246 A HN -0.280 7.861 8.150 0.008 0.015 0.449 247 S N -4.244 111.478 115.700 0.035 0.000 2.603 247 S HA 0.126 4.635 4.470 0.064 0.000 0.232 247 S C 0.967 175.625 174.600 0.097 0.000 1.016 247 S CA 0.259 58.495 58.200 0.061 0.000 0.976 247 S CB 1.376 64.610 63.200 0.057 0.000 0.921 247 S HN -0.711 7.476 8.310 0.025 0.138 0.516 248 A N 3.439 126.304 122.820 0.076 0.000 1.933 248 A HA -0.199 4.196 4.320 0.126 0.000 0.218 248 A C 1.046 178.723 177.584 0.156 0.000 1.175 248 A CA 3.219 55.322 52.037 0.110 0.000 0.628 248 A CB -1.192 17.849 19.000 0.069 0.000 0.814 248 A HN -0.109 8.072 8.150 0.053 0.000 0.444 249 c N -2.360 116.306 118.600 0.110 0.000 2.432 249 c HA -0.325 4.308 4.570 0.104 0.000 0.277 249 c C 2.024 176.179 174.090 0.108 0.000 1.249 249 c CA 2.163 58.552 56.329 0.100 0.000 1.725 249 c CB -2.007 40.544 42.510 0.069 0.000 2.028 249 c HN 0.412 8.695 8.230 0.089 0.000 0.477 250 R N -1.024 119.540 120.500 0.106 0.000 2.091 250 R HA -0.415 3.969 4.340 0.074 0.000 0.238 250 R C 2.052 178.422 176.300 0.117 0.000 1.136 250 R CA 3.689 59.847 56.100 0.097 0.000 0.959 250 R CB -0.387 29.967 30.300 0.090 0.000 0.856 250 R HN -0.141 8.188 8.270 0.099 0.000 0.437 251 Y N 0.836 121.164 120.300 0.048 0.000 2.181 251 Y HA -0.260 4.320 4.550 0.050 0.000 0.288 251 Y C 2.167 178.107 175.900 0.067 0.000 1.146 251 Y CA 3.386 61.517 58.100 0.053 0.000 1.164 251 Y CB 0.034 38.522 38.460 0.047 0.000 0.982 251 Y HN -0.238 8.132 8.280 0.278 0.077 0.515 252 I N -0.600 120.084 120.570 0.190 0.000 2.286 252 I HA -0.521 3.719 4.170 0.118 0.000 0.248 252 I C 1.537 177.686 176.117 0.052 0.000 1.115 252 I CA 3.595 64.971 61.300 0.125 0.000 1.392 252 I CB 0.201 38.301 38.000 0.168 0.000 1.065 252 I HN -0.009 8.354 8.210 0.256 0.000 0.418 253 A N -0.956 121.895 122.820 0.051 0.000 1.897 253 A HA -0.309 4.049 4.320 0.063 0.000 0.215 253 A C 2.596 180.184 177.584 0.007 0.000 1.181 253 A CA 2.966 55.029 52.037 0.044 0.000 0.620 253 A CB -0.725 18.304 19.000 0.050 0.000 0.821 253 A HN -0.329 7.779 8.150 0.067 0.082 0.443 254 D N -1.783 118.593 120.400 -0.040 0.000 2.149 254 D HA -0.221 4.396 4.640 -0.038 0.000 0.198 254 D C 2.147 178.386 176.300 -0.102 0.000 0.990 254 D CA 3.368 57.321 54.000 -0.079 0.000 0.839 254 D CB -0.226 40.497 40.800 -0.128 0.000 0.948 254 D HN 0.175 8.522 8.370 -0.039 0.000 0.460 255 T N -5.397 109.057 114.554 -0.166 0.000 3.086 255 T HA 0.019 4.325 4.350 -0.073 0.000 0.250 255 T C -0.401 174.355 174.700 0.093 0.000 1.074 255 T CA -0.911 61.124 62.100 -0.108 0.000 0.988 255 T CB -0.008 68.681 68.868 -0.297 0.000 0.988 255 T HN -0.423 7.693 8.240 -0.207 0.000 0.530 256 A N 1.304 124.178 122.820 0.090 0.000 2.448 256 A HA -0.232 4.288 4.320 0.221 -0.068 0.239 256 A C -0.109 177.554 177.584 0.132 0.000 1.080 256 A CA 0.192 52.321 52.037 0.153 0.000 0.779 256 A CB 1.085 20.151 19.000 0.110 0.000 1.026 256 A HN -0.865 7.252 8.150 0.043 0.059 0.499 257 N N 0.414 119.166 118.700 0.087 0.000 2.497 257 N HA -0.108 4.599 4.740 -0.056 0.000 0.268 257 N C -1.127 174.384 175.510 0.003 0.000 1.171 257 N CA 0.851 53.885 53.050 -0.028 0.000 0.948 257 N CB 0.922 39.344 38.487 -0.109 0.000 1.069 257 N HN -0.160 8.294 8.380 0.123 0.000 0.460 258 K N 2.482 122.875 120.400 -0.012 0.000 2.292 258 K HA 0.477 4.993 4.320 0.005 -0.193 0.257 258 K C 0.693 177.280 176.600 -0.022 0.000 0.940 258 K CA -0.892 55.392 56.287 -0.005 0.000 0.811 258 K CB 1.915 34.416 32.500 0.002 0.000 1.120 258 K HN 0.172 8.407 8.250 -0.025 0.000 0.428 259 G N 6.105 114.888 108.800 -0.027 0.000 2.159 259 G HA2 -0.389 3.547 3.960 -0.041 0.000 0.256 259 G HA3 -0.389 3.553 3.960 -0.030 0.000 0.256 259 G C -0.258 174.614 174.900 -0.046 0.000 0.977 259 G CA 0.989 46.067 45.100 -0.037 0.000 0.652 259 G HN 0.569 8.938 8.290 -0.025 -0.094 0.531 260 D N -0.715 119.653 120.400 -0.053 0.000 2.346 260 D HA 0.057 4.669 4.640 -0.047 0.000 0.206 260 D C 0.060 176.319 176.300 -0.069 0.000 1.001 260 D CA 0.455 54.423 54.000 -0.054 0.000 0.871 260 D CB 0.682 41.452 40.800 -0.049 0.000 0.943 260 D HN -0.166 8.193 8.370 -0.051 -0.020 0.518 261 L N -0.580 120.580 121.223 -0.105 0.000 2.375 261 L HA 0.198 4.697 4.340 -0.122 -0.232 0.271 261 L C 0.214 177.001 176.870 -0.137 0.000 1.107 261 L CA -0.035 54.715 54.840 -0.150 0.000 0.806 261 L CB 1.484 43.374 42.059 -0.282 0.000 1.146 261 L HN -0.666 7.780 8.230 -0.111 -0.283 0.447 262 S N 0.867 116.491 115.700 -0.127 0.000 2.718 262 S HA 0.195 4.607 4.470 -0.097 0.000 0.300 262 S C -0.695 173.828 174.600 -0.129 0.000 1.117 262 S CA -0.788 57.349 58.200 -0.106 0.000 1.002 262 S CB 2.129 65.285 63.200 -0.074 0.000 1.092 262 S HN 0.152 8.389 8.310 -0.121 0.000 0.542 263 N N 0.301 118.940 118.700 -0.102 0.000 2.727 263 N HA -0.301 4.386 4.740 -0.087 0.000 0.249 263 N C -2.155 173.276 175.510 -0.131 0.000 1.048 263 N CA 0.715 53.703 53.050 -0.103 0.000 0.714 263 N CB -0.693 37.738 38.487 -0.093 0.000 0.959 263 N HN 0.457 8.787 8.380 -0.083 0.000 0.544 264 I N -1.555 118.934 120.570 -0.136 0.000 2.312 264 I HA 0.232 4.323 4.170 -0.132 0.000 0.291 264 I C -2.031 174.038 176.117 -0.080 0.000 1.031 264 I CA -4.040 57.182 61.300 -0.130 0.000 1.293 264 I CB -0.944 36.961 38.000 -0.158 0.000 1.403 264 I HN -0.031 8.079 8.210 -0.124 0.025 0.484 265 P HA 0.022 4.397 4.420 -0.076 0.000 0.269 265 P C -0.848 176.469 177.300 0.029 0.000 1.209 265 P CA -0.770 62.274 63.100 -0.093 0.000 0.776 265 P CB 0.769 32.286 31.700 -0.305 0.000 0.876 266 F N 3.172 123.094 119.950 -0.048 0.000 2.612 266 F HA -0.357 4.165 4.527 -0.007 0.000 0.389 266 F C 0.784 176.598 175.800 0.023 0.000 1.055 266 F CA 1.822 59.816 58.000 -0.010 0.000 1.232 266 F CB 0.525 39.519 39.000 -0.010 0.000 1.044 266 F HN -0.054 8.389 8.300 0.239 0.000 0.560 267 G N 7.431 116.004 108.800 -0.379 0.000 2.194 267 G HA2 -0.255 3.537 3.960 -0.280 0.000 0.236 267 G HA3 -0.255 3.690 3.960 -0.025 0.000 0.236 267 G C -1.077 173.803 174.900 -0.034 0.000 0.987 267 G CA -0.273 44.723 45.100 -0.174 0.000 0.635 267 G HN 0.406 8.309 8.290 -0.645 0.000 0.520 268 T N 2.773 117.332 114.554 0.009 0.000 2.867 268 T HA 0.357 4.783 4.350 0.126 0.000 0.282 268 T C 0.529 175.280 174.700 0.086 0.000 1.000 268 T CA 0.066 62.233 62.100 0.110 0.000 1.042 268 T CB 1.909 70.909 68.868 0.219 0.000 0.973 268 T HN -0.569 7.601 8.240 -0.015 0.061 0.465 269 V N 0.180 120.176 119.914 0.136 0.000 2.788 269 V HA -0.103 4.048 4.120 0.052 0.000 0.307 269 V C -0.260 175.927 176.094 0.156 0.000 1.069 269 V CA -0.040 62.332 62.300 0.121 0.000 1.173 269 V CB 0.689 32.593 31.823 0.134 0.000 0.925 269 V HN -0.029 8.251 8.190 0.150 0.000 0.492 270 N N 6.772 125.504 118.700 0.054 0.000 3.194 270 N HA 0.261 4.968 4.740 -0.055 0.000 0.271 270 N C -2.265 173.264 175.510 0.032 0.000 1.308 270 N CA -0.959 52.087 53.050 -0.007 0.000 1.042 270 N CB -1.262 37.191 38.487 -0.057 0.000 1.310 270 N HN 0.319 8.716 8.380 0.028 0.000 0.502 271 L N 1.091 122.390 121.223 0.126 0.000 2.409 271 L HA 0.551 5.125 4.340 0.085 -0.183 0.272 271 L C -2.383 174.606 176.870 0.199 0.000 0.980 271 L CA -1.026 53.896 54.840 0.136 0.000 0.826 271 L CB 3.646 45.787 42.059 0.137 0.000 1.268 271 L HN -0.470 7.894 8.230 0.224 0.000 0.407 272 L N 3.915 125.220 121.223 0.137 0.000 2.325 272 L HA 0.619 5.244 4.340 0.204 -0.163 0.281 272 L C -1.920 175.046 176.870 0.159 0.000 1.004 272 L CA -2.254 52.676 54.840 0.150 0.000 0.823 272 L CB 4.263 46.375 42.059 0.088 0.000 1.236 272 L HN 0.308 8.598 8.230 0.101 0.000 0.415 273 A N 7.166 130.084 122.820 0.163 0.000 2.565 273 A HA -0.084 4.341 4.320 0.175 0.000 0.237 273 A C -2.230 175.502 177.584 0.247 0.000 1.053 273 A CA 1.196 53.337 52.037 0.173 0.000 0.755 273 A CB 0.708 19.788 19.000 0.134 0.000 0.980 273 A HN 0.151 8.395 8.150 0.158 0.000 0.506 274 Y N 2.631 122.988 120.300 0.095 0.000 2.482 274 Y HA 0.337 5.172 4.550 0.111 -0.218 0.334 274 Y C -1.769 174.220 175.900 0.148 0.000 1.091 274 Y CA -1.179 56.988 58.100 0.110 0.000 1.027 274 Y CB 4.199 42.714 38.460 0.093 0.000 1.306 274 Y HN 0.099 8.531 8.280 0.254 0.000 0.446 275 N N 3.393 121.922 118.700 -0.286 0.000 2.336 275 N HA -0.097 4.645 4.740 0.004 0.000 0.189 275 N C -0.286 175.048 175.510 -0.293 0.000 1.113 275 N CA -0.423 52.534 53.050 -0.155 0.000 0.858 275 N CB 1.093 39.552 38.487 -0.047 0.000 0.970 275 N HN 0.161 8.422 8.380 -0.200 0.000 0.471 276 N N -3.604 114.438 118.700 -1.096 0.000 2.708 276 N HA -0.450 3.726 4.740 -0.940 0.000 0.249 276 N C -1.943 173.501 175.510 -0.109 0.000 1.097 276 N CA 1.561 54.209 53.050 -0.670 0.000 0.710 276 N CB -1.459 36.882 38.487 -0.244 0.000 1.032 276 N HN -0.009 6.950 8.380 -2.298 0.042 0.551 277 Y N 0.854 121.076 120.300 -0.129 0.000 2.402 277 Y HA -0.197 4.384 4.550 0.051 0.000 0.333 277 Y C -0.765 175.151 175.900 0.026 0.000 1.076 277 Y CA 1.315 59.432 58.100 0.028 0.000 1.299 277 Y CB 0.333 38.849 38.460 0.095 0.000 1.197 277 Y HN -0.585 7.995 8.280 0.028 -0.283 0.517 278 Q N 6.535 125.980 119.800 -0.591 0.000 2.357 278 Q HA 0.241 4.329 4.340 -0.420 0.000 0.266 278 Q C -0.460 174.989 176.000 -0.918 0.000 1.021 278 Q CA -0.790 54.682 55.803 -0.552 0.000 0.784 278 Q CB 0.930 29.515 28.738 -0.255 0.000 1.243 278 Q HN 0.408 8.347 8.270 -0.553 0.000 0.465 279 A N 0.000 122.321 122.820 -0.832 0.000 2.254 279 A HA 0.000 3.890 4.320 -0.716 0.000 0.244 279 A CA 0.000 51.698 52.037 -0.566 0.000 0.836 279 A CB 0.000 18.842 19.000 -0.263 0.000 0.831 279 A HN 0.000 7.758 8.150 -0.653 0.000 0.486