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 1kd6_1_A DATA FIRST_RESID 1 DATA SEQUENCE SADVAGAVID GASLSFDILK TVLEALGNVK RKIAVGVDNE SGKTWTALNT DATA SEQUENCE YFRSGTSDIV LPHKVPHGKA LLYNGQKDRG PVATGAVGVL AYLMSDGNTL DATA SEQUENCE AVLFSVPYDY NWYSNWWNVR IYKGKRRADQ RMYEELYYNL SPFRGDNGWH DATA SEQUENCE TRNLGYGLKS RGFMNSSGHA ILEIHVTKA 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 4.461 4.470 -0.015 0.000 0.327 1 S C 0.000 174.588 174.600 -0.020 0.000 1.055 1 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 1 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 2 A N 2.030 124.839 122.820 -0.019 0.000 1.621 2 A HA 0.139 4.444 4.320 -0.026 0.000 0.212 2 A C 0.004 177.577 177.584 -0.019 0.000 1.760 2 A CA 0.177 52.200 52.037 -0.023 0.000 1.251 2 A CB 0.688 19.673 19.000 -0.026 0.000 1.168 2 A HN 0.180 8.320 8.150 -0.016 0.000 0.463 3 D N 2.460 122.851 120.400 -0.015 0.000 3.032 3 D HA 0.068 4.702 4.640 -0.010 0.000 0.241 3 D C -1.030 175.266 176.300 -0.007 0.000 1.196 3 D CA 0.118 54.112 54.000 -0.010 0.000 0.927 3 D CB -1.410 39.385 40.800 -0.009 0.000 1.129 3 D HN 0.201 8.562 8.370 -0.015 0.000 0.458 4 V N -2.536 117.373 119.914 -0.009 0.000 2.583 4 V HA 0.174 4.290 4.120 -0.007 0.000 0.287 4 V C -0.154 175.938 176.094 -0.004 0.000 1.051 4 V CA -0.079 62.217 62.300 -0.007 0.000 1.010 4 V CB 0.707 32.524 31.823 -0.010 0.000 0.988 4 V HN -0.567 7.518 8.190 -0.011 0.099 0.478 5 A N 5.770 128.588 122.820 -0.003 0.000 3.003 5 A HA 0.249 4.570 4.320 0.003 0.000 0.301 5 A C -0.136 177.444 177.584 -0.006 0.000 1.280 5 A CA -0.201 51.835 52.037 -0.001 0.000 0.973 5 A CB -0.432 18.569 19.000 0.001 0.000 1.110 5 A HN 0.506 8.653 8.150 -0.005 0.000 0.590 6 G N -1.266 107.528 108.800 -0.009 0.000 4.890 6 G HA2 -0.093 3.858 3.960 -0.016 0.000 0.225 6 G HA3 -0.093 3.858 3.960 -0.015 0.000 0.225 6 G C -0.577 174.314 174.900 -0.016 0.000 2.100 6 G CA 0.915 46.006 45.100 -0.014 0.000 0.773 6 G HN -0.163 8.050 8.290 -0.007 0.073 0.279 7 A N 2.349 125.162 122.820 -0.012 0.000 2.988 7 A HA 0.336 4.646 4.320 -0.016 0.000 0.288 7 A C -0.874 176.702 177.584 -0.015 0.000 1.385 7 A CA -0.059 51.970 52.037 -0.014 0.000 1.001 7 A CB -0.508 18.485 19.000 -0.011 0.000 1.071 7 A HN 0.215 8.360 8.150 -0.008 0.000 0.608 8 V N -3.738 116.163 119.914 -0.022 0.000 2.841 8 V HA 0.380 4.484 4.120 -0.027 0.000 0.310 8 V C -1.673 174.395 176.094 -0.042 0.000 1.090 8 V CA -0.828 61.453 62.300 -0.030 0.000 0.930 8 V CB 2.109 33.913 31.823 -0.032 0.000 1.014 8 V HN -0.829 7.256 8.190 -0.024 0.090 0.425 9 I N 0.071 120.610 120.570 -0.051 0.000 2.957 9 I HA 0.426 4.563 4.170 -0.056 0.000 0.310 9 I C -0.729 175.342 176.117 -0.077 0.000 1.063 9 I CA -1.945 59.319 61.300 -0.059 0.000 1.033 9 I CB 1.902 39.869 38.000 -0.054 0.000 1.230 9 I HN -0.128 8.052 8.210 -0.050 0.000 0.447 10 D N 0.987 121.339 120.400 -0.080 0.000 2.419 10 D HA -0.141 4.434 4.640 -0.109 0.000 0.236 10 D C 1.649 177.883 176.300 -0.110 0.000 1.165 10 D CA 1.794 55.736 54.000 -0.097 0.000 0.882 10 D CB 0.341 41.090 40.800 -0.085 0.000 1.201 10 D HN 0.185 8.512 8.370 -0.071 0.000 0.443 11 G N -0.145 108.576 108.800 -0.131 0.000 3.325 11 G HA2 -0.081 3.862 3.960 -0.169 0.000 0.242 11 G HA3 -0.081 3.775 3.960 -0.174 0.000 0.242 11 G C -1.485 173.320 174.900 -0.160 0.000 1.120 11 G CA 0.262 45.266 45.100 -0.161 0.000 1.778 11 G HN 0.258 8.357 8.290 -0.133 0.111 0.610 12 A N 0.227 122.971 122.820 -0.127 0.000 1.998 12 A HA 0.164 4.412 4.320 -0.121 0.000 0.180 12 A C -0.030 177.500 177.584 -0.090 0.000 1.858 12 A CA 0.540 52.514 52.037 -0.106 0.000 1.403 12 A CB 0.898 19.851 19.000 -0.078 0.000 1.550 12 A HN -0.101 7.854 8.150 -0.114 0.127 0.385 13 S N -0.811 114.839 115.700 -0.084 0.000 2.428 13 S HA -0.041 4.387 4.470 -0.069 0.000 0.230 13 S C 0.921 175.472 174.600 -0.081 0.000 1.014 13 S CA 1.804 59.960 58.200 -0.074 0.000 0.957 13 S CB 0.531 63.693 63.200 -0.064 0.000 0.784 13 S HN -0.471 7.788 8.310 -0.086 0.000 0.499 14 L N 0.459 121.630 121.223 -0.086 0.000 2.472 14 L HA 0.157 4.454 4.340 -0.072 0.000 0.260 14 L C -0.821 175.989 176.870 -0.099 0.000 1.209 14 L CA 0.223 55.015 54.840 -0.080 0.000 0.817 14 L CB -0.047 41.973 42.059 -0.065 0.000 1.106 14 L HN -0.746 7.429 8.230 -0.092 0.000 0.479 15 S N -2.979 112.657 115.700 -0.107 0.000 2.570 15 S HA 0.272 4.635 4.470 -0.179 0.000 0.270 15 S C 1.043 175.565 174.600 -0.131 0.000 1.149 15 S CA -1.344 56.729 58.200 -0.211 0.000 0.837 15 S CB 2.835 65.814 63.200 -0.369 0.000 1.124 15 S HN -0.394 7.870 8.310 -0.077 0.000 0.465 16 F N 0.689 120.683 119.950 0.074 0.000 2.192 16 F HA -0.372 4.201 4.527 0.077 0.000 0.301 16 F C 0.730 176.564 175.800 0.056 0.000 1.079 16 F CA 3.091 61.138 58.000 0.078 0.000 1.303 16 F CB -0.574 38.490 39.000 0.107 0.000 1.024 16 F HN 0.635 8.663 8.300 -0.454 0.000 0.494 17 D N 1.053 121.548 120.400 0.160 0.000 2.149 17 D HA -0.219 4.601 4.640 0.301 0.000 0.201 17 D C 1.683 178.028 176.300 0.075 0.000 0.972 17 D CA 2.955 57.061 54.000 0.177 0.000 0.835 17 D CB -0.161 40.686 40.800 0.079 0.000 0.966 17 D HN -0.059 8.072 8.370 -0.352 0.029 0.476 18 I N 0.212 120.786 120.570 0.006 0.000 2.286 18 I HA -0.411 3.761 4.170 0.004 0.000 0.248 18 I C 1.961 178.097 176.117 0.031 0.000 1.115 18 I CA 2.654 63.956 61.300 0.003 0.000 1.392 18 I CB -0.113 37.871 38.000 -0.027 0.000 1.065 18 I HN -0.781 7.312 8.210 -0.052 0.086 0.418 19 L N -0.898 120.360 121.223 0.059 0.000 2.046 19 L HA -0.553 3.817 4.340 0.049 0.000 0.208 19 L C 1.849 178.764 176.870 0.075 0.000 1.077 19 L CA 3.620 58.504 54.840 0.073 0.000 0.747 19 L CB -0.738 41.387 42.059 0.111 0.000 0.896 19 L HN 0.052 8.232 8.230 0.066 0.090 0.432 20 K N -2.069 118.393 120.400 0.103 0.000 2.097 20 K HA -0.403 3.969 4.320 0.087 0.000 0.206 20 K C 2.526 179.161 176.600 0.057 0.000 1.049 20 K CA 3.777 60.119 56.287 0.091 0.000 0.933 20 K CB -0.397 32.171 32.500 0.115 0.000 0.717 20 K HN -0.225 8.019 8.250 0.135 0.087 0.442 21 T N 2.003 116.586 114.554 0.048 0.000 2.867 21 T HA -0.254 4.112 4.350 0.026 0.000 0.268 21 T C 1.882 176.588 174.700 0.010 0.000 1.057 21 T CA 4.140 66.256 62.100 0.026 0.000 1.136 21 T CB -0.448 68.432 68.868 0.019 0.000 0.874 21 T HN -0.293 7.879 8.240 0.057 0.103 0.466 22 V N 2.382 122.303 119.914 0.012 0.000 2.295 22 V HA -0.301 3.814 4.120 -0.009 0.000 0.246 22 V C 1.427 177.509 176.094 -0.021 0.000 1.049 22 V CA 3.872 66.171 62.300 -0.003 0.000 1.024 22 V CB -0.631 31.195 31.823 0.005 0.000 0.648 22 V HN -0.216 7.843 8.190 0.025 0.146 0.447 23 L N -4.898 116.312 121.223 -0.022 0.000 2.240 23 L HA -0.036 4.258 4.340 -0.076 0.000 0.211 23 L C 2.318 179.140 176.870 -0.079 0.000 1.106 23 L CA 2.059 56.859 54.840 -0.067 0.000 0.793 23 L CB -1.522 40.483 42.059 -0.090 0.000 0.927 23 L HN -0.505 7.726 8.230 0.001 0.000 0.446 24 E N 2.286 122.467 120.200 -0.033 0.000 2.077 24 E HA -0.298 4.038 4.350 -0.023 0.000 0.193 24 E C 1.445 178.031 176.600 -0.024 0.000 0.989 24 E CA 2.474 58.864 56.400 -0.017 0.000 0.800 24 E CB -0.133 29.577 29.700 0.015 0.000 0.746 24 E HN -0.229 8.103 8.360 -0.009 0.023 0.452 25 A N -1.029 121.777 122.820 -0.022 0.000 2.579 25 A HA 0.100 4.408 4.320 -0.020 0.000 0.273 25 A C 0.005 177.567 177.584 -0.036 0.000 1.363 25 A CA -0.128 51.895 52.037 -0.024 0.000 0.953 25 A CB -0.397 18.593 19.000 -0.017 0.000 1.034 25 A HN -0.367 7.772 8.150 -0.018 0.000 0.536 26 L N 0.274 121.466 121.223 -0.051 0.000 3.096 26 L HA 0.155 4.460 4.340 -0.058 0.000 0.272 26 L C -0.810 176.019 176.870 -0.067 0.000 1.311 26 L CA -0.625 54.177 54.840 -0.065 0.000 0.943 26 L CB -0.388 41.621 42.059 -0.083 0.000 1.348 26 L HN -0.741 7.270 8.230 -0.056 0.186 0.562 27 G N -0.102 108.669 108.800 -0.049 0.000 2.767 27 G HA2 -0.340 3.601 3.960 -0.031 0.000 0.686 27 G HA3 -0.340 3.593 3.960 -0.045 0.000 0.686 27 G C -0.292 174.586 174.900 -0.036 0.000 1.213 27 G CA -0.533 44.542 45.100 -0.041 0.000 0.803 27 G HN -0.264 7.941 8.290 -0.041 0.061 0.603 28 N N 1.533 120.222 118.700 -0.018 0.000 2.683 28 N HA -0.183 4.557 4.740 -0.001 0.000 0.256 28 N C -0.683 174.832 175.510 0.008 0.000 1.270 28 N CA -0.464 52.585 53.050 -0.002 0.000 0.954 28 N CB -0.756 37.733 38.487 0.004 0.000 1.289 28 N HN 0.213 8.583 8.380 -0.016 0.000 0.508 29 V N -4.528 115.383 119.914 -0.005 0.000 2.881 29 V HA 0.068 4.208 4.120 0.033 0.000 0.303 29 V C 0.285 176.416 176.094 0.062 0.000 1.070 29 V CA -1.703 60.608 62.300 0.019 0.000 1.074 29 V CB 0.500 32.322 31.823 -0.001 0.000 1.012 29 V HN -0.415 7.634 8.190 -0.032 0.122 0.482 30 K N 2.092 122.555 120.400 0.105 0.000 2.026 30 K HA -0.335 4.068 4.320 0.137 0.000 0.208 30 K C 0.096 176.844 176.600 0.247 0.000 1.048 30 K CA 3.167 59.541 56.287 0.144 0.000 0.929 30 K CB 0.205 32.760 32.500 0.091 0.000 0.713 30 K HN 0.468 8.780 8.250 0.102 0.000 0.439 31 R N -3.123 117.496 120.500 0.199 0.000 2.664 31 R HA 0.228 4.785 4.340 0.363 0.000 0.286 31 R C -0.829 175.470 176.300 -0.001 0.000 0.967 31 R CA -1.290 54.936 56.100 0.209 0.000 0.933 31 R CB 1.813 32.275 30.300 0.270 0.000 1.146 31 R HN -0.306 8.076 8.270 0.187 0.000 0.468 32 K N 0.413 120.753 120.400 -0.100 0.000 2.535 32 K HA 0.351 4.587 4.320 -0.140 0.000 0.250 32 K C -1.960 174.621 176.600 -0.032 0.000 0.948 32 K CA -0.778 55.388 56.287 -0.202 0.000 0.796 32 K CB 3.058 35.247 32.500 -0.518 0.000 1.216 32 K HN 0.194 8.492 8.250 0.080 0.000 0.432 33 I N 3.082 123.639 120.570 -0.020 0.000 2.339 33 I HA 0.272 4.662 4.170 0.169 -0.118 0.290 33 I C -1.685 174.422 176.117 -0.017 0.000 0.994 33 I CA -1.348 59.969 61.300 0.028 0.000 1.191 33 I CB 1.698 39.630 38.000 -0.112 0.000 1.343 33 I HN -0.039 8.128 8.210 -0.071 0.000 0.458 34 A N 7.427 130.289 122.820 0.070 0.000 2.359 34 A HA 0.942 5.453 4.320 0.021 -0.178 0.303 34 A C -2.048 175.615 177.584 0.132 0.000 1.066 34 A CA -1.753 50.322 52.037 0.064 0.000 0.730 34 A CB 3.277 22.308 19.000 0.051 0.000 1.211 34 A HN 1.020 9.261 8.150 0.151 0.000 0.439 35 V N 2.649 122.649 119.914 0.144 0.000 2.735 35 V HA 0.230 4.449 4.120 0.166 0.000 0.310 35 V C -1.474 174.697 176.094 0.128 0.000 1.061 35 V CA -1.728 60.677 62.300 0.175 0.000 0.913 35 V CB 3.922 35.898 31.823 0.256 0.000 1.005 35 V HN 0.983 9.141 8.190 0.124 0.106 0.428 36 G N 4.818 113.675 108.800 0.095 0.000 3.025 36 G HA2 0.344 4.528 3.960 0.038 0.000 0.305 36 G HA3 0.344 4.336 3.960 0.054 0.000 0.305 36 G C -1.930 172.989 174.900 0.032 0.000 1.568 36 G CA 0.252 45.384 45.100 0.053 0.000 0.916 36 G HN 0.510 8.859 8.290 0.099 0.000 0.502 37 V N 5.741 125.652 119.914 -0.006 0.000 2.408 37 V HA 0.217 4.510 4.120 0.036 -0.150 0.267 37 V C -0.902 175.124 176.094 -0.113 0.000 1.047 37 V CA -2.157 60.128 62.300 -0.026 0.000 0.937 37 V CB 0.066 31.866 31.823 -0.038 0.000 0.999 37 V HN -0.065 8.118 8.190 -0.012 0.000 0.472 38 D N 9.477 129.793 120.400 -0.140 0.000 2.416 38 D HA -0.004 4.486 4.640 -0.249 0.000 0.240 38 D C -1.221 174.971 176.300 -0.180 0.000 1.250 38 D CA 0.477 54.321 54.000 -0.259 0.000 0.967 38 D CB -0.231 40.211 40.800 -0.598 0.000 1.059 38 D HN -0.132 8.207 8.370 -0.052 0.000 0.512 39 N N 4.181 122.747 118.700 -0.223 0.000 2.402 39 N HA -0.045 4.580 4.740 -0.190 0.000 0.252 39 N C -1.046 174.360 175.510 -0.172 0.000 1.118 39 N CA 0.817 53.715 53.050 -0.254 0.000 0.945 39 N CB 0.172 38.358 38.487 -0.501 0.000 1.147 39 N HN -0.150 8.080 8.380 -0.250 0.000 0.495 40 E N 4.788 124.940 120.200 -0.080 0.000 2.989 40 E HA 0.271 4.617 4.350 -0.007 0.000 0.207 40 E C 0.130 176.746 176.600 0.027 0.000 0.989 40 E CA -1.096 55.294 56.400 -0.016 0.000 1.186 40 E CB 1.255 30.950 29.700 -0.007 0.000 1.141 40 E HN -0.429 7.898 8.360 -0.055 0.000 0.454 41 S N -0.243 115.474 115.700 0.028 0.000 2.414 41 S HA -0.125 4.409 4.470 0.107 0.000 0.227 41 S C 0.689 175.352 174.600 0.104 0.000 1.022 41 S CA 1.408 59.668 58.200 0.100 0.000 0.958 41 S CB 0.418 63.726 63.200 0.180 0.000 0.797 41 S HN 0.033 8.246 8.310 -0.037 0.075 0.493 42 G N 0.528 109.387 108.800 0.099 0.000 2.203 42 G HA2 -0.240 3.747 3.960 0.046 0.000 0.231 42 G HA3 -0.240 3.711 3.960 -0.015 0.000 0.231 42 G C -0.889 174.078 174.900 0.112 0.000 1.058 42 G CA -0.019 45.113 45.100 0.053 0.000 0.781 42 G HN 0.274 8.622 8.290 0.098 0.000 0.496 43 K N -0.610 119.910 120.400 0.200 0.000 2.469 43 K HA 0.333 4.774 4.320 0.202 0.000 0.254 43 K C -1.077 175.733 176.600 0.350 0.000 0.939 43 K CA -1.820 54.633 56.287 0.277 0.000 0.812 43 K CB 3.088 35.811 32.500 0.372 0.000 1.301 43 K HN -0.635 7.722 8.250 0.178 0.000 0.433 44 T N 0.433 115.177 114.554 0.316 0.000 2.780 44 T HA 0.070 4.565 4.350 0.242 0.000 0.294 44 T C -1.259 173.729 174.700 0.479 0.000 0.949 44 T CA -0.842 61.442 62.100 0.307 0.000 1.074 44 T CB 0.696 69.675 68.868 0.185 0.000 0.910 44 T HN 0.213 8.597 8.240 0.241 0.000 0.501 45 W N 3.201 124.534 121.300 0.054 0.000 2.578 45 W HA 0.712 5.661 4.660 0.102 -0.228 0.353 45 W C -0.004 176.622 176.519 0.179 0.000 1.088 45 W CA -2.588 54.821 57.345 0.105 0.000 1.235 45 W CB 2.710 32.206 29.460 0.059 0.000 1.362 45 W HN -0.665 7.759 8.180 0.407 0.000 0.592 46 T N 1.131 115.952 114.554 0.445 0.000 3.109 46 T HA 0.304 5.045 4.350 0.402 -0.150 0.311 46 T C -1.474 173.371 174.700 0.242 0.000 1.011 46 T CA -0.217 62.094 62.100 0.351 0.000 1.026 46 T CB 2.783 71.787 68.868 0.226 0.000 1.047 46 T HN 0.410 8.878 8.240 0.381 0.000 0.448 47 A N 8.167 131.056 122.820 0.115 0.000 2.561 47 A HA -0.191 3.589 4.320 -0.900 0.000 0.251 47 A C -1.653 175.825 177.584 -0.177 0.000 1.062 47 A CA 1.213 53.021 52.037 -0.381 0.000 0.761 47 A CB -0.244 18.516 19.000 -0.399 0.000 0.986 47 A HN 0.805 9.026 8.150 0.306 0.113 0.510 48 L N 4.765 125.876 121.223 -0.187 0.000 2.349 48 L HA 0.200 4.494 4.340 -0.076 0.000 0.200 48 L C 0.083 176.895 176.870 -0.096 0.000 1.064 48 L CA 1.041 55.820 54.840 -0.101 0.000 0.821 48 L CB 1.124 43.142 42.059 -0.069 0.000 1.027 48 L HN 0.331 8.402 8.230 -0.265 0.000 0.476 49 N N -2.115 116.520 118.700 -0.108 0.000 2.431 49 N HA 0.237 4.958 4.740 -0.032 0.000 0.275 49 N C -2.525 172.974 175.510 -0.018 0.000 1.091 49 N CA 0.284 53.303 53.050 -0.052 0.000 0.922 49 N CB 3.680 42.137 38.487 -0.050 0.000 1.666 49 N HN -0.465 7.826 8.380 -0.149 0.000 0.484 50 T N -1.139 113.469 114.554 0.090 0.000 2.991 50 T HA 0.562 5.133 4.350 0.117 -0.151 0.303 50 T C -1.699 173.239 174.700 0.397 0.000 1.015 50 T CA -0.573 61.633 62.100 0.177 0.000 1.007 50 T CB 1.634 70.601 68.868 0.164 0.000 1.034 50 T HN -0.043 8.274 8.240 0.129 0.000 0.446 51 Y N 4.996 125.368 120.300 0.119 0.000 2.519 51 Y HA 0.253 4.956 4.550 0.255 0.000 0.336 51 Y C -2.351 173.664 175.900 0.192 0.000 1.089 51 Y CA -0.002 58.203 58.100 0.177 0.000 1.025 51 Y CB 4.420 42.922 38.460 0.069 0.000 1.318 51 Y HN 0.368 8.788 8.280 0.233 0.000 0.452 52 F N 1.797 121.721 119.950 -0.043 0.000 2.422 52 F HA 0.243 4.829 4.527 0.056 -0.026 0.333 52 F C 0.314 176.125 175.800 0.018 0.000 1.095 52 F CA -1.392 56.608 58.000 0.001 0.000 1.038 52 F CB 1.796 40.775 39.000 -0.034 0.000 1.156 52 F HN 0.367 8.766 8.300 0.165 0.000 0.483 53 R N 3.601 124.191 120.500 0.150 0.000 2.119 53 R HA -0.161 4.245 4.340 0.110 0.000 0.222 53 R C 0.238 176.615 176.300 0.129 0.000 1.088 53 R CA 1.642 57.809 56.100 0.112 0.000 0.984 53 R CB 0.599 30.935 30.300 0.060 0.000 0.884 53 R HN 0.557 8.760 8.270 0.080 0.115 0.447 54 S N -3.904 111.900 115.700 0.173 0.000 3.829 54 S HA 0.090 4.614 4.470 0.089 0.000 0.201 54 S C 0.166 174.832 174.600 0.109 0.000 1.005 54 S CA 0.763 59.041 58.200 0.129 0.000 0.935 54 S CB 2.599 65.881 63.200 0.137 0.000 1.181 54 S HN -0.080 8.374 8.310 0.240 0.000 0.622 55 G N 1.586 110.490 108.800 0.173 0.000 2.580 55 G HA2 0.059 4.049 3.960 -0.037 0.000 0.225 55 G HA3 0.059 4.129 3.960 0.093 -0.055 0.225 55 G C -1.727 173.112 174.900 -0.103 0.000 1.521 55 G CA -0.108 45.026 45.100 0.057 0.000 1.068 55 G HN -0.140 8.395 8.290 0.258 -0.090 0.564 56 T N -2.920 111.381 114.554 -0.422 0.000 2.661 56 T HA 0.142 3.395 4.350 -1.829 0.000 0.305 56 T C -1.673 172.418 174.700 -1.015 0.000 1.535 56 T CA -1.195 60.307 62.100 -0.997 0.000 1.000 56 T CB 1.154 69.691 68.868 -0.551 0.000 1.811 56 T HN -0.231 7.834 8.240 -0.293 0.000 0.471 57 S N -1.411 113.762 115.700 -0.880 0.000 3.798 57 S HA 0.100 4.256 4.470 -0.523 0.000 0.227 57 S C -1.680 172.669 174.600 -0.418 0.000 1.126 57 S CA 0.437 58.253 58.200 -0.640 0.000 1.030 57 S CB 1.696 64.399 63.200 -0.828 0.000 1.189 57 S HN 0.204 8.031 8.310 -0.806 0.000 0.464 58 D N -0.510 119.677 120.400 -0.354 0.000 2.685 58 D HA 0.076 4.600 4.640 -0.192 0.000 0.236 58 D C -0.459 175.756 176.300 -0.141 0.000 1.233 58 D CA -0.283 53.600 54.000 -0.195 0.000 0.760 58 D CB 1.496 42.225 40.800 -0.117 0.000 1.410 58 D HN -0.663 7.447 8.370 -0.433 0.000 0.439 59 I N -1.438 119.072 120.570 -0.099 0.000 2.439 59 I HA -0.138 3.974 4.170 -0.096 0.000 0.251 59 I C -0.887 175.226 176.117 -0.007 0.000 1.139 59 I CA 0.695 61.956 61.300 -0.065 0.000 1.438 59 I CB 0.608 38.576 38.000 -0.054 0.000 1.085 59 I HN -0.126 8.027 8.210 -0.094 0.000 0.427 60 V N -2.379 117.541 119.914 0.009 0.000 2.760 60 V HA 0.262 4.413 4.120 0.053 0.000 0.309 60 V C -1.796 174.344 176.094 0.078 0.000 1.077 60 V CA -1.702 60.624 62.300 0.043 0.000 0.910 60 V CB 1.217 33.058 31.823 0.030 0.000 1.008 60 V HN -0.621 7.564 8.190 -0.008 0.000 0.424 61 L N 0.794 122.089 121.223 0.121 0.000 2.327 61 L HA 0.589 5.022 4.340 0.155 0.000 0.258 61 L C -1.878 175.116 176.870 0.206 0.000 1.024 61 L CA -3.365 51.583 54.840 0.180 0.000 0.825 61 L CB -0.415 41.819 42.059 0.292 0.000 1.386 61 L HN -0.494 7.798 8.230 0.103 0.000 0.417 62 P HA -0.032 4.512 4.420 0.207 0.000 0.266 62 P C -1.532 175.957 177.300 0.315 0.000 1.193 62 P CA 0.165 63.398 63.100 0.222 0.000 0.770 62 P CB 0.630 32.420 31.700 0.151 0.000 0.836 63 H N -2.085 117.082 119.070 0.162 0.000 2.474 63 H HA 0.228 4.963 4.556 0.228 -0.042 0.250 63 H C -1.108 174.362 175.328 0.236 0.000 1.307 63 H CA -1.412 54.746 56.048 0.183 0.000 1.058 63 H CB 0.075 29.881 29.762 0.073 0.000 1.693 63 H HN 0.206 8.426 8.280 -0.100 0.000 0.552 64 K N 1.201 121.717 120.400 0.193 0.000 2.571 64 K HA 0.620 5.336 4.320 0.191 -0.281 0.252 64 K C -1.814 174.822 176.600 0.060 0.000 0.956 64 K CA -0.721 55.633 56.287 0.111 0.000 0.822 64 K CB 3.518 35.993 32.500 -0.042 0.000 1.286 64 K HN -0.402 8.005 8.250 0.262 0.000 0.439 65 V N 5.798 125.731 119.914 0.030 0.000 2.467 65 V HA 0.337 4.309 4.120 -0.247 0.000 0.260 65 V C -2.349 173.566 176.094 -0.299 0.000 0.963 65 V CA -3.172 58.970 62.300 -0.263 0.000 0.856 65 V CB 0.705 32.133 31.823 -0.658 0.000 1.087 65 V HN -0.204 8.166 8.190 0.168 -0.079 0.467 66 P HA 0.159 4.563 4.420 -0.028 0.000 0.276 66 P C -1.449 175.732 177.300 -0.197 0.000 1.261 66 P CA -1.144 61.872 63.100 -0.140 0.000 0.800 66 P CB 0.928 32.529 31.700 -0.166 0.000 1.066 67 H N -3.746 115.261 119.070 -0.105 0.000 2.848 67 H HA -0.421 4.051 4.556 -0.140 0.000 0.341 67 H C 1.081 176.349 175.328 -0.100 0.000 1.060 67 H CA 0.115 56.102 56.048 -0.101 0.000 1.444 67 H CB -0.379 29.355 29.762 -0.046 0.000 1.446 67 H HN -0.061 8.264 8.280 0.074 0.000 0.583 68 G N 3.449 112.202 108.800 -0.078 0.000 2.204 68 G HA2 -0.528 3.647 3.960 -0.078 0.000 0.244 68 G HA3 -0.528 3.370 3.960 -0.104 0.000 0.244 68 G C -1.652 173.149 174.900 -0.164 0.000 1.062 68 G CA 0.038 45.071 45.100 -0.111 0.000 0.798 68 G HN 0.493 8.806 8.290 -0.038 -0.045 0.496 69 K N -0.958 119.329 120.400 -0.188 0.000 2.525 69 K HA 0.334 4.664 4.320 -0.162 -0.107 0.254 69 K C -2.395 174.082 176.600 -0.204 0.000 0.934 69 K CA -1.046 55.128 56.287 -0.188 0.000 0.802 69 K CB 4.126 36.510 32.500 -0.194 0.000 1.295 69 K HN -0.625 7.507 8.250 -0.197 0.000 0.433 70 A N 4.378 127.095 122.820 -0.171 0.000 2.320 70 A HA 0.493 4.872 4.320 -0.189 -0.173 0.287 70 A C -1.141 176.363 177.584 -0.133 0.000 1.181 70 A CA -1.210 50.730 52.037 -0.161 0.000 0.831 70 A CB 1.069 19.986 19.000 -0.138 0.000 1.102 70 A HN 0.423 8.483 8.150 -0.149 0.000 0.513 71 L N 5.367 126.502 121.223 -0.147 0.000 2.325 71 L HA 0.220 4.498 4.340 -0.103 0.000 0.284 71 L C -1.342 175.521 176.870 -0.012 0.000 1.089 71 L CA -0.656 54.117 54.840 -0.113 0.000 0.836 71 L CB 0.880 42.818 42.059 -0.201 0.000 1.184 71 L HN 0.646 8.663 8.230 -0.171 0.110 0.444 72 L N 6.964 128.209 121.223 0.037 0.000 2.326 72 L HA 0.562 5.173 4.340 0.084 -0.220 0.278 72 L C -0.156 176.854 176.870 0.233 0.000 1.092 72 L CA -0.549 54.347 54.840 0.094 0.000 0.810 72 L CB 0.671 42.763 42.059 0.054 0.000 1.153 72 L HN 0.144 8.385 8.230 0.018 0.000 0.439 73 Y N 2.932 123.243 120.300 0.019 0.000 2.571 73 Y HA 0.213 4.781 4.550 0.030 0.000 0.341 73 Y C -2.314 173.580 175.900 -0.011 0.000 1.076 73 Y CA -0.610 57.504 58.100 0.024 0.000 1.029 73 Y CB 4.820 43.312 38.460 0.053 0.000 1.308 73 Y HN 0.649 8.964 8.280 0.194 0.081 0.461 74 N N 2.823 121.304 118.700 -0.365 0.000 2.367 74 N HA 0.757 5.560 4.740 -0.185 -0.173 0.278 74 N C -2.130 173.121 175.510 -0.430 0.000 1.117 74 N CA -0.347 52.531 53.050 -0.288 0.000 0.867 74 N CB 3.846 42.224 38.487 -0.180 0.000 1.649 74 N HN 0.324 8.239 8.380 -0.775 0.000 0.479 75 G N -1.232 107.380 108.800 -0.314 0.000 2.672 75 G HA2 0.478 4.233 3.960 -0.380 0.000 0.292 75 G HA3 0.478 4.315 3.960 -0.312 -0.064 0.292 75 G C -2.760 172.025 174.900 -0.192 0.000 1.375 75 G CA -0.047 44.866 45.100 -0.311 0.000 0.890 75 G HN -0.018 8.032 8.290 -0.232 0.101 0.476 76 Q N 0.673 120.362 119.800 -0.185 0.000 2.458 76 Q HA 0.284 4.579 4.340 -0.075 0.000 0.332 76 Q C -1.099 174.826 176.000 -0.125 0.000 0.825 76 Q CA -1.231 54.500 55.803 -0.120 0.000 1.076 76 Q CB 1.545 30.210 28.738 -0.121 0.000 1.394 76 Q HN -0.049 8.074 8.270 -0.245 0.000 0.393 77 K N -3.370 116.963 120.400 -0.112 0.000 1.135 77 K HA -0.392 3.989 4.320 -0.067 -0.101 0.764 77 K C -0.809 175.690 176.600 -0.169 0.000 1.864 77 K CA 0.822 57.032 56.287 -0.129 0.000 1.361 77 K CB -0.828 31.544 32.500 -0.214 0.000 2.469 77 K HN -0.200 8.002 8.250 -0.081 0.000 0.418 78 D N -0.806 119.500 120.400 -0.156 0.000 2.097 78 D HA -0.200 4.344 4.640 -0.159 0.000 0.197 78 D C 1.624 177.839 176.300 -0.142 0.000 0.984 78 D CA 1.587 55.501 54.000 -0.144 0.000 0.826 78 D CB 0.581 41.319 40.800 -0.103 0.000 0.973 78 D HN 0.374 8.658 8.370 -0.144 0.000 0.460 79 R N -1.845 118.558 120.500 -0.162 0.000 2.248 79 R HA -0.413 3.829 4.340 -0.162 0.000 0.154 79 R C 0.490 176.736 176.300 -0.091 0.000 0.881 79 R CA 2.015 58.035 56.100 -0.134 0.000 1.877 79 R CB -1.883 28.351 30.300 -0.110 0.000 0.832 79 R HN 0.194 8.342 8.270 -0.204 0.000 0.665 80 G N -0.133 108.618 108.800 -0.081 0.000 2.484 80 G HA2 -0.077 3.854 3.960 -0.048 0.000 0.215 80 G HA3 -0.077 3.849 3.960 -0.056 0.000 0.215 80 G C -1.024 173.850 174.900 -0.044 0.000 1.219 80 G CA 0.658 45.724 45.100 -0.057 0.000 0.791 80 G HN 0.142 8.266 8.290 -0.093 0.110 0.550 81 P HA 0.075 4.484 4.420 -0.019 0.000 0.341 81 P C -0.620 176.665 177.300 -0.026 0.000 1.407 81 P CA -0.821 62.262 63.100 -0.028 0.000 0.837 81 P CB 0.295 31.981 31.700 -0.024 0.000 2.024 82 V N -1.699 118.207 119.914 -0.013 0.000 3.698 82 V HA -0.109 4.016 4.120 0.008 0.000 0.280 82 V C -0.837 175.249 176.094 -0.012 0.000 0.995 82 V CA -0.724 61.577 62.300 0.001 0.000 1.000 82 V CB 1.119 32.952 31.823 0.018 0.000 1.248 82 V HN 0.022 8.207 8.190 -0.008 0.000 0.429 83 A N 0.499 123.340 122.820 0.035 0.000 2.395 83 A HA 0.019 4.309 4.320 -0.049 0.000 0.286 83 A C -0.891 176.731 177.584 0.064 0.000 1.193 83 A CA 0.585 52.666 52.037 0.075 0.000 0.852 83 A CB -0.235 18.917 19.000 0.253 0.000 1.118 83 A HN 0.200 8.383 8.150 0.055 0.000 0.524 84 T N 2.437 116.951 114.554 -0.067 0.000 3.041 84 T HA 0.115 4.531 4.350 0.111 0.000 0.321 84 T C -1.008 173.671 174.700 -0.036 0.000 1.184 84 T CA -0.793 61.316 62.100 0.015 0.000 1.050 84 T CB 3.122 72.002 68.868 0.020 0.000 1.159 84 T HN -0.328 7.739 8.240 -0.287 0.000 0.469 85 G N 1.109 109.997 108.800 0.146 0.000 2.711 85 G HA2 0.191 4.257 3.960 0.175 0.000 0.186 85 G HA3 0.191 4.610 3.960 0.286 -0.287 0.186 85 G C -2.157 172.854 174.900 0.185 0.000 1.635 85 G CA -0.787 44.433 45.100 0.201 0.000 1.065 85 G HN 0.084 8.492 8.290 0.196 0.000 0.545 86 A N 0.147 123.151 122.820 0.306 0.000 2.285 86 A HA 0.310 4.896 4.320 0.312 -0.078 0.310 86 A C -2.120 175.779 177.584 0.525 0.000 1.266 86 A CA -0.791 51.477 52.037 0.385 0.000 0.832 86 A CB 1.033 20.246 19.000 0.355 0.000 1.163 86 A HN -0.267 8.095 8.150 0.353 0.000 0.499 87 V N 3.499 123.665 119.914 0.420 0.000 2.638 87 V HA 0.762 5.271 4.120 0.417 -0.138 0.306 87 V C -0.607 175.557 176.094 0.118 0.000 1.052 87 V CA -2.326 60.166 62.300 0.320 0.000 0.885 87 V CB 3.266 35.230 31.823 0.236 0.000 0.999 87 V HN 0.130 8.649 8.190 0.394 -0.093 0.424 88 G N 4.702 113.418 108.800 -0.141 0.000 2.523 88 G HA2 0.591 4.422 3.960 -0.339 0.000 0.291 88 G HA3 0.591 3.526 3.960 -1.709 0.000 0.291 88 G C -3.502 171.127 174.900 -0.452 0.000 1.450 88 G CA 0.501 45.225 45.100 -0.626 0.000 0.790 88 G HN 0.625 8.837 8.290 0.042 0.103 0.496 89 V N -0.198 119.473 119.914 -0.405 0.000 2.638 89 V HA 0.883 5.157 4.120 -0.145 -0.241 0.306 89 V C -1.345 174.681 176.094 -0.113 0.000 1.052 89 V CA -1.287 60.884 62.300 -0.215 0.000 0.885 89 V CB 3.843 35.512 31.823 -0.256 0.000 0.999 89 V HN 0.562 8.514 8.190 -0.396 0.000 0.424 90 L N 2.042 123.247 121.223 -0.030 0.000 2.329 90 L HA 0.707 5.075 4.340 0.046 0.000 0.279 90 L C -2.053 174.889 176.870 0.120 0.000 1.014 90 L CA -1.766 53.109 54.840 0.058 0.000 0.814 90 L CB 2.135 44.238 42.059 0.073 0.000 1.257 90 L HN 0.276 8.504 8.230 -0.004 0.000 0.424 91 A N 0.242 123.105 122.820 0.072 0.000 2.381 91 A HA 0.593 5.188 4.320 0.147 -0.187 0.299 91 A C -1.855 175.735 177.584 0.011 0.000 1.049 91 A CA -1.103 50.975 52.037 0.069 0.000 0.715 91 A CB 3.412 22.388 19.000 -0.040 0.000 1.222 91 A HN 0.223 8.359 8.150 -0.024 0.000 0.428 92 Y N 1.517 121.788 120.300 -0.049 0.000 2.446 92 Y HA 0.343 5.092 4.550 0.025 -0.184 0.345 92 Y C -1.041 174.722 175.900 -0.227 0.000 0.984 92 Y CA -1.415 56.660 58.100 -0.042 0.000 1.058 92 Y CB 3.527 42.087 38.460 0.166 0.000 1.220 92 Y HN -0.192 8.245 8.280 0.261 0.000 0.455 93 L N 0.898 122.116 121.223 -0.009 0.000 2.380 93 L HA 0.388 4.845 4.340 -0.147 -0.205 0.273 93 L C 0.071 176.813 176.870 -0.214 0.000 1.138 93 L CA -0.241 54.537 54.840 -0.104 0.000 0.832 93 L CB 1.092 43.133 42.059 -0.030 0.000 1.124 93 L HN 1.035 9.194 8.230 0.063 0.108 0.454 94 M N 4.178 123.585 119.600 -0.321 0.000 2.486 94 M HA -0.122 4.003 4.480 -0.592 0.000 0.264 94 M C -0.747 175.478 176.300 -0.125 0.000 1.125 94 M CA 2.128 57.194 55.300 -0.391 0.000 1.144 94 M CB 1.125 33.431 32.600 -0.490 0.000 1.353 94 M HN 0.899 8.919 8.290 -0.274 0.106 0.466 95 S N -4.675 110.974 115.700 -0.084 0.000 5.911 95 S HA -0.059 4.420 4.470 0.016 0.000 0.134 95 S C -0.400 174.193 174.600 -0.012 0.000 1.400 95 S CA 0.301 58.490 58.200 -0.018 0.000 1.004 95 S CB 0.301 63.494 63.200 -0.011 0.000 1.903 95 S HN -0.588 7.656 8.310 -0.110 0.000 0.620 96 D N 1.599 121.991 120.400 -0.013 0.000 2.240 96 D HA 0.138 4.779 4.640 0.002 0.000 0.206 96 D C 0.239 176.530 176.300 -0.014 0.000 0.963 96 D CA 0.958 54.955 54.000 -0.005 0.000 0.863 96 D CB 1.084 41.887 40.800 0.004 0.000 0.973 96 D HN 0.344 8.704 8.370 -0.017 0.000 0.501 97 G N -1.561 107.221 108.800 -0.030 0.000 4.918 97 G HA2 -0.036 3.906 3.960 -0.029 0.000 0.220 97 G HA3 -0.036 3.914 3.960 -0.016 0.000 0.220 97 G C -2.710 172.163 174.900 -0.045 0.000 2.090 97 G CA 0.050 45.132 45.100 -0.029 0.000 0.632 97 G HN -0.459 7.806 8.290 -0.042 0.000 0.234 98 N N 1.138 119.784 118.700 -0.090 0.000 2.249 98 N HA 0.403 5.097 4.740 -0.077 0.000 0.296 98 N C -1.952 173.455 175.510 -0.172 0.000 1.051 98 N CA -0.338 52.633 53.050 -0.131 0.000 0.815 98 N CB 3.963 42.316 38.487 -0.223 0.000 1.487 98 N HN -0.395 7.924 8.380 -0.102 0.000 0.475 99 T N 3.928 118.411 114.554 -0.118 0.000 2.881 99 T HA 0.619 5.096 4.350 -0.224 -0.261 0.291 99 T C -1.436 173.209 174.700 -0.091 0.000 0.990 99 T CA -0.798 61.225 62.100 -0.127 0.000 0.976 99 T CB 1.805 70.650 68.868 -0.038 0.000 0.970 99 T HN 1.054 9.156 8.240 -0.050 0.108 0.438 100 L N 7.972 129.049 121.223 -0.243 0.000 2.268 100 L HA 0.339 4.841 4.340 0.026 -0.147 0.289 100 L C -1.823 175.074 176.870 0.045 0.000 1.064 100 L CA -1.118 53.656 54.840 -0.109 0.000 0.824 100 L CB 1.495 43.383 42.059 -0.284 0.000 1.202 100 L HN -0.001 7.959 8.230 -0.450 0.000 0.433 101 A N 7.404 130.295 122.820 0.117 0.000 2.290 101 A HA 0.955 5.562 4.320 0.063 -0.249 0.310 101 A C -1.432 176.263 177.584 0.185 0.000 1.202 101 A CA -2.208 49.866 52.037 0.062 0.000 0.837 101 A CB 2.023 20.862 19.000 -0.269 0.000 1.139 101 A HN 0.929 9.220 8.150 0.235 0.000 0.509 102 V N 3.743 123.768 119.914 0.184 0.000 2.495 102 V HA 0.467 4.936 4.120 0.288 -0.175 0.298 102 V C -1.499 174.720 176.094 0.208 0.000 1.031 102 V CA -1.472 60.973 62.300 0.242 0.000 0.871 102 V CB 2.651 34.624 31.823 0.251 0.000 0.988 102 V HN 0.475 8.753 8.190 0.145 0.000 0.432 103 L N 6.926 128.313 121.223 0.273 0.000 2.322 103 L HA 0.863 5.442 4.340 0.109 -0.174 0.279 103 L C -1.995 175.088 176.870 0.354 0.000 1.036 103 L CA -1.700 53.279 54.840 0.230 0.000 0.807 103 L CB 3.473 45.672 42.059 0.234 0.000 1.226 103 L HN 0.255 8.562 8.230 0.327 0.119 0.433 104 F N 7.213 127.244 119.950 0.135 0.000 2.565 104 F HA 0.759 5.604 4.527 0.317 -0.128 0.313 104 F C -2.133 173.798 175.800 0.218 0.000 1.091 104 F CA -1.335 56.789 58.000 0.206 0.000 0.915 104 F CB 4.164 43.252 39.000 0.147 0.000 1.208 104 F HN 0.719 9.156 8.300 0.229 0.000 0.453 105 S N 5.164 120.920 115.700 0.093 0.000 2.562 105 S HA 0.416 5.268 4.470 0.426 -0.126 0.274 105 S C -2.538 172.185 174.600 0.205 0.000 1.160 105 S CA -0.406 57.998 58.200 0.340 0.000 0.933 105 S CB 2.648 66.188 63.200 0.567 0.000 1.100 105 S HN 0.224 8.263 8.310 -0.451 0.000 0.468 106 V N 4.474 124.579 119.914 0.318 0.000 2.789 106 V HA 0.499 4.661 4.120 0.069 0.000 0.300 106 V C -3.241 173.018 176.094 0.275 0.000 1.184 106 V CA -3.397 59.031 62.300 0.213 0.000 0.930 106 V CB 3.986 35.942 31.823 0.221 0.000 1.041 106 V HN -0.099 8.331 8.190 0.399 0.000 0.430 107 P HA 0.207 4.764 4.420 0.229 0.000 0.275 107 P C -1.161 176.285 177.300 0.244 0.000 1.228 107 P CA -0.665 62.564 63.100 0.216 0.000 0.786 107 P CB 0.845 32.623 31.700 0.130 0.000 0.927 108 Y N 3.144 123.497 120.300 0.088 0.000 2.871 108 Y HA 0.003 4.612 4.550 0.099 0.000 0.378 108 Y C -1.446 174.497 175.900 0.072 0.000 1.069 108 Y CA -1.138 57.011 58.100 0.082 0.000 1.662 108 Y CB -1.033 37.468 38.460 0.068 0.000 1.561 108 Y HN 0.178 8.639 8.280 0.301 0.000 0.483 109 D N -0.650 119.769 120.400 0.031 0.000 2.836 109 D HA -0.038 4.551 4.640 -0.085 0.000 0.215 109 D C -2.059 174.304 176.300 0.105 0.000 1.255 109 D CA -0.005 53.992 54.000 -0.005 0.000 0.822 109 D CB 2.759 43.553 40.800 -0.011 0.000 1.656 109 D HN -0.713 7.605 8.370 0.107 0.116 0.511 110 Y N 4.155 124.437 120.300 -0.030 0.000 2.365 110 Y HA -0.005 4.551 4.550 0.010 0.000 0.340 110 Y C -1.306 174.627 175.900 0.055 0.000 1.016 110 Y CA 0.782 58.883 58.100 0.001 0.000 1.196 110 Y CB 0.429 38.869 38.460 -0.033 0.000 1.167 110 Y HN 0.196 8.573 8.280 0.162 0.000 0.509 111 N N 5.977 124.527 118.700 -0.250 0.000 3.703 111 N HA 0.000 4.655 4.740 -0.142 0.000 0.319 111 N C -1.302 174.172 175.510 -0.060 0.000 1.231 111 N CA -0.437 52.574 53.050 -0.065 0.000 0.618 111 N CB 0.671 39.288 38.487 0.216 0.000 3.620 111 N HN -0.141 8.084 8.380 -0.259 0.000 0.458 112 W N -1.690 119.596 121.300 -0.022 0.000 2.576 112 W HA -0.030 4.546 4.660 -0.140 0.000 0.275 112 W C 0.007 176.501 176.519 -0.041 0.000 1.241 112 W CA 0.074 57.381 57.345 -0.063 0.000 1.328 112 W CB 0.039 29.461 29.460 -0.063 0.000 1.092 112 W HN -0.046 8.539 8.180 0.674 0.000 0.586 113 Y N -1.085 119.314 120.300 0.165 0.000 2.683 113 Y HA -0.260 4.411 4.550 0.203 0.000 0.340 113 Y C -0.230 175.567 175.900 -0.172 0.000 1.245 113 Y CA 0.934 59.091 58.100 0.095 0.000 1.485 113 Y CB -0.070 38.511 38.460 0.202 0.000 1.328 113 Y HN -0.534 8.232 8.280 0.810 0.000 0.603 114 S N -0.333 115.125 115.700 -0.404 0.000 2.811 114 S HA 0.085 4.366 4.470 -0.315 0.000 0.311 114 S C -0.800 173.129 174.600 -1.118 0.000 1.152 114 S CA -1.391 56.465 58.200 -0.573 0.000 0.864 114 S CB 2.799 65.743 63.200 -0.426 0.000 1.226 114 S HN -0.110 7.844 8.310 -0.593 0.000 0.541 115 N N 0.682 118.964 118.700 -0.697 0.000 2.482 115 N HA 0.355 5.041 4.740 -0.492 -0.242 0.260 115 N C -0.596 174.547 175.510 -0.613 0.000 1.236 115 N CA 0.691 53.397 53.050 -0.574 0.000 0.938 115 N CB 0.937 39.216 38.487 -0.348 0.000 1.128 115 N HN 0.303 8.404 8.380 -0.463 0.000 0.448 116 W N -0.054 121.255 121.300 0.015 0.000 2.781 116 W HA 0.739 5.746 4.660 0.145 -0.260 0.333 116 W C -1.611 175.007 176.519 0.165 0.000 1.047 116 W CA -0.797 56.609 57.345 0.102 0.000 1.236 116 W CB 3.012 32.521 29.460 0.082 0.000 1.394 116 W HN 0.716 8.771 8.180 -0.040 0.101 0.466 117 W N 0.276 121.749 121.300 0.288 0.000 2.998 117 W HA 0.709 5.671 4.660 0.206 -0.179 0.335 117 W C -2.347 174.357 176.519 0.308 0.000 1.110 117 W CA -2.561 54.929 57.345 0.241 0.000 1.230 117 W CB 2.772 32.344 29.460 0.187 0.000 1.405 117 W HN 1.056 9.284 8.180 0.265 0.111 0.493 118 N N 1.747 120.626 118.700 0.298 0.000 2.519 118 N HA 0.247 4.908 4.740 -0.131 0.000 0.291 118 N C -1.980 173.675 175.510 0.242 0.000 1.107 118 N CA -0.324 52.799 53.050 0.122 0.000 0.904 118 N CB 3.105 41.673 38.487 0.136 0.000 1.500 118 N HN -0.098 8.601 8.380 0.412 -0.072 0.510 119 V N 0.971 121.009 119.914 0.208 0.000 2.427 119 V HA 0.828 5.334 4.120 0.286 -0.215 0.286 119 V C -1.063 175.135 176.094 0.173 0.000 1.034 119 V CA -1.622 60.828 62.300 0.250 0.000 0.893 119 V CB 1.611 33.618 31.823 0.306 0.000 0.982 119 V HN 0.258 8.502 8.190 0.090 0.000 0.452 120 R N 4.190 124.829 120.500 0.231 0.000 2.664 120 R HA 0.292 4.688 4.340 0.093 0.000 0.266 120 R C -2.232 174.218 176.300 0.250 0.000 1.046 120 R CA -1.555 54.649 56.100 0.173 0.000 0.885 120 R CB 4.796 35.148 30.300 0.088 0.000 1.254 120 R HN 0.328 8.768 8.270 0.283 0.000 0.465 121 I N 2.790 123.416 120.570 0.093 0.000 2.395 121 I HA 0.120 4.500 4.170 0.120 -0.137 0.289 121 I C -0.547 175.585 176.117 0.025 0.000 1.023 121 I CA -1.484 59.866 61.300 0.083 0.000 1.350 121 I CB -1.024 36.990 38.000 0.023 0.000 1.409 121 I HN 0.369 8.594 8.210 0.025 0.000 0.507 122 Y N 6.554 126.828 120.300 -0.044 0.000 2.361 122 Y HA 0.208 4.753 4.550 -0.009 0.000 0.337 122 Y C -1.139 174.739 175.900 -0.036 0.000 0.965 122 Y CA -1.859 56.227 58.100 -0.024 0.000 1.091 122 Y CB 2.959 41.413 38.460 -0.010 0.000 1.182 122 Y HN 1.122 9.440 8.280 0.274 0.126 0.450 123 K N 4.392 124.845 120.400 0.089 0.000 2.382 123 K HA -0.099 4.332 4.320 0.015 -0.102 0.275 123 K C 0.889 177.518 176.600 0.047 0.000 1.009 123 K CA 0.300 56.613 56.287 0.043 0.000 0.970 123 K CB 0.918 33.434 32.500 0.027 0.000 0.934 123 K HN 0.585 8.871 8.250 0.061 0.000 0.479 124 G N 3.998 112.806 108.800 0.013 0.000 2.843 124 G HA2 -0.184 3.780 3.960 0.008 0.000 0.275 124 G HA3 -0.184 3.770 3.960 -0.009 0.000 0.275 124 G C -1.317 173.589 174.900 0.010 0.000 0.709 124 G CA 0.576 45.679 45.100 0.005 0.000 2.089 124 G HN 0.507 8.662 8.290 -0.002 0.134 0.571 125 K N 2.233 122.646 120.400 0.023 0.000 2.571 125 K HA 0.086 4.410 4.320 0.007 0.000 0.252 125 K C -1.412 175.203 176.600 0.025 0.000 0.956 125 K CA -0.431 55.866 56.287 0.017 0.000 0.822 125 K CB 1.592 34.101 32.500 0.015 0.000 1.286 125 K HN -0.243 7.992 8.250 0.039 0.039 0.439 126 R N 1.279 121.785 120.500 0.011 0.000 1.200 126 R HA -0.234 4.106 4.340 -0.001 0.000 0.419 126 R C -1.735 174.571 176.300 0.010 0.000 1.345 126 R CA 0.180 56.286 56.100 0.010 0.000 1.193 126 R CB -0.446 29.867 30.300 0.021 0.000 3.456 126 R HN 0.385 8.657 8.270 0.003 0.000 0.497 127 R N 2.198 122.691 120.500 -0.011 0.000 2.401 127 R HA -0.044 4.278 4.340 -0.030 0.000 0.299 127 R C -0.568 175.725 176.300 -0.012 0.000 1.064 127 R CA -0.060 56.022 56.100 -0.030 0.000 1.000 127 R CB 0.585 30.845 30.300 -0.067 0.000 0.973 127 R HN 0.143 8.402 8.270 -0.018 0.000 0.438 128 A N 5.578 128.393 122.820 -0.007 0.000 2.401 128 A HA 0.009 4.383 4.320 0.089 0.000 0.259 128 A C -1.444 176.149 177.584 0.015 0.000 1.103 128 A CA 0.161 52.221 52.037 0.038 0.000 0.789 128 A CB 0.724 19.726 19.000 0.003 0.000 1.035 128 A HN 0.249 8.384 8.150 -0.025 0.000 0.491 129 D N 0.737 121.176 120.400 0.066 0.000 3.376 129 D HA -0.023 4.607 4.640 -0.016 0.000 0.344 129 D C 0.235 176.569 176.300 0.057 0.000 1.428 129 D CA -0.572 53.437 54.000 0.016 0.000 0.949 129 D CB 0.903 41.686 40.800 -0.029 0.000 1.451 129 D HN -0.497 7.962 8.370 0.149 0.000 0.578 130 Q N -0.246 119.579 119.800 0.042 0.000 2.061 130 Q HA -0.245 4.112 4.340 0.028 0.000 0.204 130 Q C 2.035 178.098 176.000 0.104 0.000 0.984 130 Q CA 4.218 60.056 55.803 0.058 0.000 0.846 130 Q CB 0.056 28.826 28.738 0.055 0.000 0.902 130 Q HN 0.175 8.467 8.270 0.037 0.000 0.421 131 R N -3.222 117.328 120.500 0.084 0.000 2.193 131 R HA -0.219 4.166 4.340 0.074 0.000 0.229 131 R C 1.551 177.918 176.300 0.112 0.000 1.110 131 R CA 2.440 58.588 56.100 0.080 0.000 0.988 131 R CB -0.662 29.667 30.300 0.047 0.000 0.871 131 R HN 0.278 8.585 8.270 0.062 0.000 0.458 132 M N -2.919 116.783 119.600 0.170 0.000 2.193 132 M HA -0.173 4.384 4.480 0.130 0.000 0.265 132 M C 1.319 177.761 176.300 0.237 0.000 1.071 132 M CA 1.088 56.510 55.300 0.204 0.000 1.140 132 M CB 0.179 32.929 32.600 0.250 0.000 1.369 132 M HN -0.697 7.537 8.290 0.172 0.160 0.423 133 Y N -4.667 115.683 120.300 0.083 0.000 2.314 133 Y HA -0.077 4.781 4.550 0.134 -0.228 0.294 133 Y C 1.145 177.086 175.900 0.068 0.000 1.119 133 Y CA 1.621 59.777 58.100 0.094 0.000 1.179 133 Y CB 0.473 38.979 38.460 0.076 0.000 1.025 133 Y HN -0.922 7.686 8.280 0.547 0.000 0.541 134 E N -2.059 118.268 120.200 0.213 0.000 2.605 134 E HA -0.119 4.304 4.350 0.122 0.000 0.255 134 E C 0.660 177.307 176.600 0.079 0.000 1.369 134 E CA 0.763 57.237 56.400 0.123 0.000 1.017 134 E CB 0.594 30.350 29.700 0.093 0.000 1.086 134 E HN -0.406 8.091 8.360 0.229 0.000 0.605 135 E N -4.347 115.886 120.200 0.055 0.000 4.711 135 E HA -0.500 3.869 4.350 0.032 0.000 0.183 135 E C -1.016 175.575 176.600 -0.014 0.000 1.334 135 E CA 2.013 58.428 56.400 0.024 0.000 2.263 135 E CB -1.386 28.320 29.700 0.010 0.000 1.886 135 E HN 0.407 8.804 8.360 0.061 0.000 0.347 136 L N 2.329 123.527 121.223 -0.042 0.000 2.290 136 L HA 0.171 4.322 4.340 -0.314 0.000 0.284 136 L C 0.689 177.519 176.870 -0.067 0.000 1.078 136 L CA -1.264 53.478 54.840 -0.163 0.000 0.815 136 L CB 1.161 43.132 42.059 -0.147 0.000 1.162 136 L HN -0.048 8.104 8.230 -0.003 0.076 0.435 137 Y N 4.731 125.074 120.300 0.072 0.000 2.885 137 Y HA -0.030 4.551 4.550 0.052 0.000 0.380 137 Y C -1.432 174.534 175.900 0.110 0.000 1.064 137 Y CA -2.284 55.856 58.100 0.068 0.000 1.676 137 Y CB -2.457 36.029 38.460 0.044 0.000 1.633 137 Y HN 0.647 8.459 8.280 -0.780 0.000 0.473 138 Y N 2.302 122.610 120.300 0.013 0.000 2.464 138 Y HA 0.050 4.637 4.550 0.062 0.000 0.288 138 Y C -1.253 174.615 175.900 -0.054 0.000 1.133 138 Y CA 0.869 58.961 58.100 -0.013 0.000 1.223 138 Y CB 2.851 41.253 38.460 -0.097 0.000 1.187 138 Y HN -0.501 7.743 8.280 0.145 0.123 0.539 139 N N -1.973 116.680 118.700 -0.078 0.000 2.696 139 N HA 0.064 4.640 4.740 -0.273 0.000 0.308 139 N C -1.842 173.620 175.510 -0.079 0.000 1.915 139 N CA -0.533 52.383 53.050 -0.223 0.000 0.906 139 N CB -0.075 38.182 38.487 -0.382 0.000 1.284 139 N HN -0.298 8.106 8.380 0.040 0.000 0.488 140 L N -0.591 120.646 121.223 0.025 0.000 2.475 140 L HA 0.228 4.673 4.340 0.176 0.000 0.253 140 L C -1.592 175.311 176.870 0.056 0.000 1.483 140 L CA 0.171 55.070 54.840 0.097 0.000 0.869 140 L CB 0.120 42.242 42.059 0.106 0.000 1.086 140 L HN -0.566 7.665 8.230 0.002 0.000 0.514 141 S N 0.735 116.471 115.700 0.060 0.000 2.488 141 S HA 0.207 4.691 4.470 0.024 0.000 0.151 141 S C -2.452 172.207 174.600 0.099 0.000 1.401 141 S CA -1.843 56.388 58.200 0.051 0.000 1.221 141 S CB 0.514 63.737 63.200 0.039 0.000 1.407 141 S HN -0.195 8.169 8.310 0.090 0.000 0.406 142 P HA 0.137 4.647 4.420 0.150 0.000 0.282 142 P C -1.756 175.698 177.300 0.257 0.000 1.249 142 P CA -0.652 62.547 63.100 0.165 0.000 0.806 142 P CB 0.612 32.418 31.700 0.178 0.000 0.984 143 F N 2.379 122.237 119.950 -0.153 0.000 2.396 143 F HA 0.026 4.544 4.527 -0.016 0.000 0.343 143 F C 0.067 175.914 175.800 0.078 0.000 1.104 143 F CA -0.853 57.037 58.000 -0.183 0.000 1.161 143 F CB 2.242 40.849 39.000 -0.655 0.000 1.146 143 F HN 0.580 8.775 8.300 0.015 0.115 0.522 144 R N 4.935 125.538 120.500 0.173 0.000 2.316 144 R HA 0.209 4.760 4.340 0.003 -0.209 0.314 144 R C 0.744 177.177 176.300 0.222 0.000 1.069 144 R CA -0.078 56.100 56.100 0.130 0.000 0.959 144 R CB 0.769 31.103 30.300 0.057 0.000 0.987 144 R HN 0.339 8.555 8.270 -0.091 0.000 0.446 145 G N 6.414 115.242 108.800 0.048 0.000 2.432 145 G HA2 -0.017 3.729 3.960 -0.356 0.000 0.257 145 G HA3 -0.017 3.813 3.960 -0.216 0.000 0.257 145 G C -1.877 172.765 174.900 -0.430 0.000 1.238 145 G CA -0.211 44.754 45.100 -0.226 0.000 0.838 145 G HN 0.661 8.768 8.290 -0.094 0.126 0.547 146 D N 1.022 120.912 120.400 -0.850 0.000 2.769 146 D HA 0.033 4.487 4.640 -0.310 0.000 0.219 146 D C -0.734 175.295 176.300 -0.452 0.000 1.245 146 D CA -0.997 52.742 54.000 -0.435 0.000 0.801 146 D CB 3.870 44.611 40.800 -0.099 0.000 1.598 146 D HN -0.313 6.980 8.370 -1.795 0.000 0.485 147 N N 3.172 121.711 118.700 -0.269 0.000 2.328 147 N HA -0.402 4.326 4.740 -0.252 -0.139 0.290 147 N C -0.443 174.934 175.510 -0.223 0.000 1.355 147 N CA 1.412 54.320 53.050 -0.237 0.000 1.009 147 N CB -0.367 38.000 38.487 -0.200 0.000 1.426 147 N HN 0.055 8.300 8.380 -0.224 0.000 0.488 148 G N 1.672 110.367 108.800 -0.176 0.000 2.393 148 G HA2 0.021 3.549 3.960 -0.720 0.000 0.264 148 G HA3 0.021 3.905 3.960 -0.126 0.000 0.264 148 G C -3.612 171.303 174.900 0.026 0.000 1.221 148 G CA 0.146 45.084 45.100 -0.270 0.000 0.912 148 G HN -0.262 7.931 8.290 -0.162 0.000 0.483 149 W N -3.510 117.900 121.300 0.182 0.000 3.645 149 W HA 0.269 5.123 4.660 0.253 -0.042 0.285 149 W C -2.624 173.911 176.519 0.026 0.000 1.266 149 W CA -1.088 56.329 57.345 0.119 0.000 1.212 149 W CB 0.849 30.352 29.460 0.072 0.000 1.306 149 W HN -0.183 7.855 8.180 -0.236 0.000 0.552 150 H N -2.405 116.786 119.070 0.202 0.000 3.046 150 H HA 0.327 4.979 4.556 0.161 0.000 0.363 150 H C -1.891 173.491 175.328 0.090 0.000 1.203 150 H CA -1.636 54.464 56.048 0.086 0.000 1.169 150 H CB 2.996 32.706 29.762 -0.086 0.000 1.851 150 H HN 0.812 9.266 8.280 0.501 0.128 0.546 151 T N 4.555 119.187 114.554 0.129 0.000 2.875 151 T HA 0.868 5.560 4.350 0.072 -0.298 0.284 151 T C -0.426 174.238 174.700 -0.061 0.000 0.995 151 T CA -0.312 61.812 62.100 0.040 0.000 1.060 151 T CB 0.954 69.845 68.868 0.038 0.000 0.967 151 T HN 0.316 8.643 8.240 0.145 0.000 0.476 152 R N 2.158 122.621 120.500 -0.061 0.000 2.725 152 R HA 0.188 4.480 4.340 -0.080 0.000 0.254 152 R C -2.428 173.839 176.300 -0.055 0.000 1.076 152 R CA -1.254 54.782 56.100 -0.106 0.000 0.940 152 R CB 1.643 31.794 30.300 -0.249 0.000 1.260 152 R HN 0.062 8.330 8.270 -0.004 0.000 0.466 153 N N 1.164 119.836 118.700 -0.047 0.000 2.492 153 N HA 0.016 4.928 4.740 0.019 -0.160 0.262 153 N C 0.268 175.768 175.510 -0.016 0.000 1.202 153 N CA 0.194 53.237 53.050 -0.011 0.000 0.926 153 N CB 0.580 39.060 38.487 -0.012 0.000 1.078 153 N HN 0.227 8.573 8.380 -0.057 0.000 0.454 154 L N -5.044 116.204 121.223 0.042 0.000 2.156 154 L HA 0.090 4.442 4.340 0.020 0.000 0.208 154 L C 0.234 177.126 176.870 0.038 0.000 1.095 154 L CA 1.514 56.389 54.840 0.058 0.000 0.770 154 L CB 0.118 42.260 42.059 0.138 0.000 0.914 154 L HN 0.263 8.537 8.230 0.073 0.000 0.439 155 G N -2.856 105.975 108.800 0.052 0.000 4.077 155 G HA2 -0.302 3.654 3.960 -0.006 0.000 0.199 155 G HA3 -0.302 3.676 3.960 0.031 0.000 0.199 155 G C -0.114 174.837 174.900 0.086 0.000 1.302 155 G CA 0.003 45.125 45.100 0.037 0.000 0.918 155 G HN -0.693 7.636 8.290 0.065 0.000 0.369 156 Y N 1.667 121.969 120.300 0.004 0.000 2.181 156 Y HA -0.078 4.470 4.550 -0.003 0.000 0.288 156 Y C 0.327 176.235 175.900 0.013 0.000 1.146 156 Y CA 2.766 60.871 58.100 0.009 0.000 1.164 156 Y CB 0.383 38.860 38.460 0.028 0.000 0.982 156 Y HN -0.217 8.213 8.280 0.250 0.000 0.515 157 G N -5.173 103.653 108.800 0.043 0.000 3.989 157 G HA2 -0.182 3.737 3.960 -0.068 0.000 0.183 157 G HA3 -0.182 3.705 3.960 -0.121 0.000 0.183 157 G C -1.691 173.230 174.900 0.035 0.000 0.892 157 G CA 0.162 45.238 45.100 -0.041 0.000 0.914 157 G HN -0.404 7.980 8.290 0.157 0.000 0.347 158 L N 1.191 122.479 121.223 0.108 0.000 2.474 158 L HA -0.107 4.360 4.340 0.075 -0.081 0.259 158 L C -0.845 176.076 176.870 0.084 0.000 1.232 158 L CA 1.138 56.040 54.840 0.104 0.000 0.821 158 L CB 0.603 42.752 42.059 0.150 0.000 1.108 158 L HN -0.540 7.798 8.230 0.179 0.000 0.495 159 K N -1.050 119.394 120.400 0.073 0.000 2.316 159 K HA 0.396 4.863 4.320 0.052 -0.116 0.251 159 K C -1.246 175.406 176.600 0.086 0.000 0.934 159 K CA -1.352 54.971 56.287 0.060 0.000 0.802 159 K CB 3.228 35.749 32.500 0.034 0.000 1.171 159 K HN 1.114 9.296 8.250 0.073 0.112 0.426 160 S N 3.724 119.484 115.700 0.101 0.000 2.438 160 S HA 0.387 5.094 4.470 0.142 -0.152 0.293 160 S C -0.226 174.454 174.600 0.134 0.000 1.141 160 S CA -0.943 57.344 58.200 0.145 0.000 1.080 160 S CB 0.688 64.019 63.200 0.218 0.000 0.978 160 S HN 1.088 9.339 8.310 0.079 0.106 0.479 161 R N 5.726 126.293 120.500 0.110 0.000 2.280 161 R HA 0.151 4.544 4.340 0.089 0.000 0.326 161 R C -0.575 175.732 176.300 0.012 0.000 1.080 161 R CA -0.701 55.433 56.100 0.057 0.000 1.002 161 R CB 0.114 30.409 30.300 -0.009 0.000 1.136 161 R HN 1.053 9.273 8.270 0.125 0.125 0.509 162 G N 3.966 112.859 108.800 0.156 0.000 2.356 162 G HA2 0.331 4.352 3.960 0.149 0.000 0.281 162 G HA3 0.331 4.528 3.960 0.091 -0.183 0.281 162 G C -3.037 172.109 174.900 0.410 0.000 1.246 162 G CA 0.874 46.084 45.100 0.184 0.000 0.889 162 G HN 0.084 8.529 8.290 0.258 0.000 0.486 163 F N -2.002 117.965 119.950 0.027 0.000 3.410 163 F HA 0.320 4.823 4.527 -0.040 0.000 0.328 163 F C -2.773 172.856 175.800 -0.285 0.000 1.099 163 F CA -0.781 57.180 58.000 -0.066 0.000 0.841 163 F CB 3.653 42.658 39.000 0.009 0.000 1.527 163 F HN -0.165 8.143 8.300 0.176 0.098 0.478 164 M N 1.855 121.072 119.600 -0.639 0.000 2.243 164 M HA 0.394 4.800 4.480 -0.399 -0.165 0.324 164 M C -2.458 173.500 176.300 -0.569 0.000 1.031 164 M CA -1.130 53.807 55.300 -0.605 0.000 0.949 164 M CB 3.337 35.554 32.600 -0.637 0.000 1.615 164 M HN 0.249 7.709 8.290 -1.384 0.000 0.430 165 N N 5.383 123.903 118.700 -0.301 0.000 2.422 165 N HA 0.208 4.765 4.740 -0.304 0.000 0.264 165 N C -0.728 174.674 175.510 -0.180 0.000 1.063 165 N CA -0.754 52.156 53.050 -0.235 0.000 0.959 165 N CB 1.621 40.031 38.487 -0.129 0.000 1.087 165 N HN 0.438 8.697 8.380 -0.202 0.000 0.483 166 S N 8.097 123.679 115.700 -0.195 0.000 2.380 166 S HA 0.046 4.442 4.470 -0.123 0.000 0.168 166 S C -0.695 173.859 174.600 -0.077 0.000 1.296 166 S CA 1.167 59.286 58.200 -0.134 0.000 2.072 166 S CB 0.530 63.640 63.200 -0.150 0.000 0.456 166 S HN 0.277 8.446 8.310 -0.235 0.000 0.388 167 S N -0.314 115.349 115.700 -0.062 0.000 3.628 167 S HA -0.314 4.119 4.470 -0.062 0.000 0.373 167 S C 1.045 175.561 174.600 -0.140 0.000 0.968 167 S CA 0.987 59.133 58.200 -0.089 0.000 1.215 167 S CB -1.280 61.851 63.200 -0.114 0.000 0.912 167 S HN 0.233 8.514 8.310 -0.047 0.000 0.495 168 G N 1.521 110.271 108.800 -0.085 0.000 5.431 168 G HA2 -0.547 3.407 3.960 -0.010 0.000 0.322 168 G HA3 -0.547 3.260 3.960 -0.256 0.000 0.322 168 G C 0.093 175.042 174.900 0.081 0.000 1.370 168 G CA 0.522 45.571 45.100 -0.086 0.000 0.963 168 G HN 0.319 8.613 8.290 0.006 0.000 0.797 169 H N 6.164 125.225 119.070 -0.015 0.000 2.819 169 H HA 0.039 4.739 4.556 0.053 -0.113 0.303 169 H C -1.545 173.801 175.328 0.030 0.000 1.058 169 H CA -0.950 55.111 56.048 0.022 0.000 1.471 169 H CB 0.037 29.803 29.762 0.006 0.000 1.480 169 H HN -0.178 7.960 8.280 -0.180 0.035 0.517 170 A N 4.569 127.510 122.820 0.203 0.000 2.312 170 A HA 1.119 5.743 4.320 0.066 -0.264 0.326 170 A C -1.758 175.925 177.584 0.165 0.000 1.172 170 A CA -2.417 49.709 52.037 0.149 0.000 0.821 170 A CB 2.672 21.778 19.000 0.176 0.000 1.166 170 A HN -0.036 8.257 8.150 0.239 0.000 0.493 171 I N -3.087 117.537 120.570 0.091 0.000 2.499 171 I HA 1.155 5.674 4.170 0.142 -0.263 0.288 171 I C -1.957 174.183 176.117 0.039 0.000 1.048 171 I CA -2.378 58.979 61.300 0.096 0.000 1.062 171 I CB 3.709 41.761 38.000 0.087 0.000 1.238 171 I HN -0.117 8.108 8.210 0.025 0.000 0.426 172 L N 6.726 127.990 121.223 0.068 0.000 2.276 172 L HA 0.532 4.923 4.340 -0.155 -0.144 0.286 172 L C -2.203 174.680 176.870 0.022 0.000 1.024 172 L CA -0.817 54.002 54.840 -0.034 0.000 0.826 172 L CB 2.388 44.441 42.059 -0.010 0.000 1.211 172 L HN 0.334 8.643 8.230 0.132 0.000 0.422 173 E N 8.436 128.654 120.200 0.030 0.000 2.751 173 E HA 0.416 5.040 4.350 0.175 -0.169 0.219 173 E C -1.797 174.885 176.600 0.137 0.000 1.060 173 E CA -2.300 54.188 56.400 0.146 0.000 0.893 173 E CB 0.830 30.661 29.700 0.218 0.000 1.300 173 E HN 0.152 8.498 8.360 -0.022 0.000 0.433 174 I N -1.864 118.784 120.570 0.130 0.000 2.362 174 I HA 0.380 4.611 4.170 0.102 0.000 0.289 174 I C -1.563 174.727 176.117 0.289 0.000 0.994 174 I CA -1.925 59.455 61.300 0.133 0.000 1.158 174 I CB 1.445 39.456 38.000 0.018 0.000 1.315 174 I HN -0.314 7.956 8.210 0.099 0.000 0.451 175 H N 6.810 125.906 119.070 0.042 0.000 2.641 175 H HA 0.359 5.043 4.556 -0.001 -0.128 0.295 175 H C 0.474 175.822 175.328 0.034 0.000 1.070 175 H CA -2.141 53.918 56.048 0.018 0.000 1.257 175 H CB 0.488 30.250 29.762 0.001 0.000 1.393 175 H HN 0.559 8.788 8.280 0.147 0.139 0.464 176 V N 3.664 123.658 119.914 0.133 0.000 2.455 176 V HA 0.495 4.875 4.120 0.128 -0.183 0.273 176 V C -0.795 175.351 176.094 0.086 0.000 1.045 176 V CA -0.917 61.450 62.300 0.112 0.000 0.976 176 V CB -0.167 31.723 31.823 0.111 0.000 0.993 176 V HN -0.140 8.102 8.190 0.087 0.000 0.475 177 T N 1.895 116.502 114.554 0.088 0.000 2.812 177 T HA 0.541 4.929 4.350 0.062 0.000 0.294 177 T C -1.100 173.640 174.700 0.067 0.000 1.159 177 T CA -2.851 59.291 62.100 0.069 0.000 1.008 177 T CB 3.406 72.309 68.868 0.058 0.000 1.289 177 T HN 0.840 9.030 8.240 0.095 0.106 0.514 178 K N -0.236 120.196 120.400 0.054 0.000 2.485 178 K HA -0.069 4.286 4.320 0.059 0.000 0.277 178 K C -0.249 176.372 176.600 0.035 0.000 0.990 178 K CA 0.662 56.977 56.287 0.046 0.000 0.994 178 K CB 0.063 32.583 32.500 0.033 0.000 0.906 178 K HN 0.211 8.489 8.250 0.047 0.000 0.488 179 A N 0.000 122.837 122.820 0.028 0.000 2.254 179 A HA 0.000 4.332 4.320 0.021 0.000 0.244 179 A CA 0.000 52.047 52.037 0.016 0.000 0.836 179 A CB 0.000 19.003 19.000 0.006 0.000 0.831 179 A HN 0.000 8.168 8.150 0.029 0.000 0.486