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 2ju0_1_A DATA FIRST_RESID 3 DATA SEQUENCE AKTSKLSKDD LTCLKQSTYF DRREIQQWHK GFLRDCPSGQ LAREDFVKIY DATA SEQUENCE KQFFPFGSPE DFANHLFTVF DKDNNGFIHF EEFITVLSTT SRGTLEEKLS DATA SEQUENCE WAFELYDLNH DGYITFDEML TIVASVYKMM GSMVTLNEDE ATPEMRVKKI DATA SEQUENCE FKLMDKNEDG YITLDEFREG SKVDP 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 3 A HA 0.000 4.323 4.320 0.005 0.000 0.244 3 A C 0.000 177.589 177.584 0.008 0.000 1.274 3 A CA 0.000 52.040 52.037 0.005 0.000 0.836 3 A CB 0.000 19.002 19.000 0.003 0.000 0.831 4 K N 2.663 123.068 120.400 0.008 0.000 2.281 4 K HA 0.190 4.518 4.320 0.014 0.000 0.272 4 K C -0.423 176.188 176.600 0.017 0.000 1.048 4 K CA -0.068 56.226 56.287 0.011 0.000 0.898 4 K CB 0.110 32.613 32.500 0.006 0.000 1.128 4 K HN 0.278 8.531 8.250 0.006 0.000 0.460 5 T N 4.564 119.132 114.554 0.025 0.000 3.130 5 T HA 0.220 4.584 4.350 0.024 0.000 0.206 5 T C 0.224 174.955 174.700 0.051 0.000 0.785 5 T CA -0.486 61.632 62.100 0.030 0.000 1.861 5 T CB 0.563 69.447 68.868 0.028 0.000 2.815 5 T HN 0.247 8.502 8.240 0.026 0.000 0.379 6 S N -0.580 115.160 115.700 0.067 0.000 2.702 6 S HA 0.016 4.595 4.470 0.182 0.000 0.257 6 S C -1.376 173.302 174.600 0.130 0.000 0.981 6 S CA -0.181 58.106 58.200 0.145 0.000 1.414 6 S CB 2.492 65.766 63.200 0.124 0.000 1.239 6 S HN -0.060 8.279 8.310 0.048 0.000 0.676 7 K N -0.810 119.625 120.400 0.058 0.000 2.061 7 K HA -0.211 4.125 4.320 0.026 0.000 0.519 7 K C -0.479 176.096 176.600 -0.042 0.000 1.621 7 K CA 1.026 57.334 56.287 0.036 0.000 1.039 7 K CB -0.809 31.747 32.500 0.092 0.000 1.584 7 K HN -0.736 7.544 8.250 0.050 0.000 0.770 8 L N -8.165 113.054 121.223 -0.006 0.000 4.250 8 L HA -0.300 4.047 4.340 0.011 0.000 0.495 8 L C -0.621 176.187 176.870 -0.103 0.000 1.020 8 L CA 1.651 56.476 54.840 -0.025 0.000 0.932 8 L CB -0.882 41.200 42.059 0.038 0.000 1.849 8 L HN 0.117 8.368 8.230 0.035 0.000 1.032 9 S N -2.925 112.718 115.700 -0.096 0.000 2.614 9 S HA -0.015 4.377 4.470 -0.130 0.000 0.230 9 S C 0.475 175.054 174.600 -0.036 0.000 0.952 9 S CA 0.297 58.441 58.200 -0.093 0.000 0.949 9 S CB -0.054 63.098 63.200 -0.079 0.000 0.786 9 S HN 0.201 8.412 8.310 -0.061 0.062 0.478 10 K N -0.201 120.187 120.400 -0.019 0.000 2.782 10 K HA 0.140 4.459 4.320 -0.003 0.000 0.193 10 K C -0.098 176.504 176.600 0.004 0.000 1.592 10 K CA 1.521 57.806 56.287 -0.004 0.000 1.247 10 K CB 0.867 33.366 32.500 -0.002 0.000 1.691 10 K HN -0.381 7.758 8.250 -0.020 0.098 0.605 11 D N -0.478 119.926 120.400 0.007 0.000 2.224 11 D HA -0.211 4.435 4.640 0.010 0.000 0.205 11 D C 1.648 177.959 176.300 0.019 0.000 0.965 11 D CA 2.828 56.836 54.000 0.013 0.000 0.852 11 D CB -0.240 40.571 40.800 0.018 0.000 0.947 11 D HN 0.170 8.543 8.370 0.005 0.000 0.494 12 D N 0.129 120.545 120.400 0.026 0.000 2.113 12 D HA -0.122 4.542 4.640 0.039 0.000 0.206 12 D C 2.093 178.414 176.300 0.035 0.000 0.979 12 D CA 2.628 56.653 54.000 0.042 0.000 0.862 12 D CB 0.080 40.924 40.800 0.073 0.000 1.013 12 D HN -0.618 7.733 8.370 0.019 0.030 0.455 13 L N -2.617 118.626 121.223 0.033 0.000 2.089 13 L HA -0.478 3.887 4.340 0.041 0.000 0.213 13 L C 1.858 178.740 176.870 0.019 0.000 1.079 13 L CA 2.880 57.738 54.840 0.030 0.000 0.758 13 L CB -0.475 41.599 42.059 0.024 0.000 0.891 13 L HN 0.299 8.546 8.230 0.029 0.000 0.433 14 T N -1.317 113.245 114.554 0.013 0.000 2.737 14 T HA -0.270 4.083 4.350 0.006 0.000 0.265 14 T C 1.853 176.555 174.700 0.005 0.000 1.038 14 T CA 3.401 65.505 62.100 0.007 0.000 1.144 14 T CB -0.389 68.482 68.868 0.006 0.000 0.866 14 T HN -0.573 7.662 8.240 0.014 0.014 0.434 15 C N 1.263 120.567 119.300 0.007 0.000 2.403 15 C HA -0.217 4.242 4.460 -0.001 0.000 0.282 15 C C 0.970 175.958 174.990 -0.004 0.000 1.297 15 C CA 1.822 60.842 59.018 0.002 0.000 1.785 15 C CB -0.635 27.108 27.740 0.006 0.000 1.963 15 C HN -0.446 7.719 8.230 0.011 0.072 0.507 16 L N -2.214 119.010 121.223 0.001 0.000 2.044 16 L HA -0.064 4.262 4.340 -0.023 0.000 0.218 16 L C 0.926 177.785 176.870 -0.017 0.000 1.133 16 L CA 1.542 56.376 54.840 -0.010 0.000 1.742 16 L CB 0.318 42.380 42.059 0.005 0.000 1.442 16 L HN -0.646 7.445 8.230 0.009 0.145 0.839 17 K N -5.681 114.712 120.400 -0.012 0.000 3.377 17 K HA -0.438 3.877 4.320 -0.009 0.000 0.314 17 K C -0.572 176.014 176.600 -0.024 0.000 1.246 17 K CA 1.945 58.224 56.287 -0.013 0.000 0.961 17 K CB -1.079 31.416 32.500 -0.009 0.000 1.233 17 K HN 0.206 8.454 8.250 -0.004 0.000 0.428 18 Q N -3.013 116.764 119.800 -0.038 0.000 1.618 18 Q HA 0.052 4.366 4.340 -0.045 0.000 0.147 18 Q C -1.372 174.574 176.000 -0.090 0.000 0.403 18 Q CA -0.381 55.390 55.803 -0.053 0.000 0.687 18 Q CB 2.262 30.973 28.738 -0.046 0.000 0.812 18 Q HN -0.072 8.030 8.270 -0.040 0.144 0.189 19 S N 1.715 117.344 115.700 -0.119 0.000 2.592 19 S HA 0.185 4.506 4.470 -0.248 0.000 0.271 19 S C -1.263 173.183 174.600 -0.257 0.000 1.326 19 S CA 0.713 58.775 58.200 -0.230 0.000 1.024 19 S CB 0.838 63.892 63.200 -0.244 0.000 0.921 19 S HN 0.077 8.332 8.310 -0.092 0.000 0.527 20 T N -0.712 113.596 114.554 -0.410 0.000 4.209 20 T HA 0.107 4.357 4.350 -0.168 0.000 0.319 20 T C -0.748 173.775 174.700 -0.294 0.000 0.730 20 T CA 0.353 62.303 62.100 -0.250 0.000 0.949 20 T CB 0.612 69.429 68.868 -0.086 0.000 1.110 20 T HN -0.067 7.820 8.240 -0.588 0.000 0.470 21 Y N 7.184 127.457 120.300 -0.044 0.000 2.873 21 Y HA 0.041 4.463 4.550 -0.213 0.000 0.375 21 Y C -1.939 173.697 175.900 -0.440 0.000 1.070 21 Y CA -0.117 57.845 58.100 -0.231 0.000 1.644 21 Y CB -1.263 37.026 38.460 -0.285 0.000 1.495 21 Y HN 0.460 8.633 8.280 -0.178 0.000 0.494 22 F N -0.828 119.185 119.950 0.106 0.000 3.764 22 F HA -0.075 4.556 4.527 0.175 0.000 0.411 22 F C -1.750 174.122 175.800 0.121 0.000 1.073 22 F CA -0.473 57.614 58.000 0.144 0.000 1.540 22 F CB 1.877 40.971 39.000 0.156 0.000 2.372 22 F HN -0.752 7.474 8.300 0.084 0.125 0.816 23 D N 3.918 124.470 120.400 0.253 0.000 2.795 23 D HA -0.221 4.486 4.640 0.112 0.000 0.221 23 D C 1.418 177.831 176.300 0.187 0.000 1.108 23 D CA 1.415 55.517 54.000 0.169 0.000 0.832 23 D CB 0.447 41.331 40.800 0.139 0.000 1.183 23 D HN 0.121 8.611 8.370 0.199 0.000 0.503 24 R N 5.322 125.898 120.500 0.127 0.000 2.248 24 R HA -0.495 3.915 4.340 0.117 0.000 0.236 24 R C 1.271 177.647 176.300 0.127 0.000 1.111 24 R CA 3.539 59.706 56.100 0.113 0.000 0.894 24 R CB -1.185 29.158 30.300 0.073 0.000 0.905 24 R HN 0.457 8.785 8.270 0.096 0.000 0.426 25 R N -1.215 119.347 120.500 0.104 0.000 2.388 25 R HA -0.197 4.187 4.340 0.073 0.000 0.233 25 R C 1.334 177.705 176.300 0.118 0.000 1.156 25 R CA 2.275 58.429 56.100 0.090 0.000 1.036 25 R CB -0.876 29.465 30.300 0.068 0.000 0.847 25 R HN 0.241 8.565 8.270 0.089 0.000 0.483 26 E N -1.632 118.685 120.200 0.194 0.000 2.065 26 E HA -0.008 4.656 4.350 0.160 -0.218 0.191 26 E C 2.202 179.000 176.600 0.330 0.000 0.960 26 E CA 0.884 57.449 56.400 0.275 0.000 0.824 26 E CB 0.717 30.724 29.700 0.512 0.000 0.793 26 E HN 0.269 8.504 8.360 0.207 0.249 0.459 27 I N 1.017 121.781 120.570 0.323 0.000 2.093 27 I HA -0.565 3.782 4.170 0.295 0.000 0.239 27 I C 1.799 178.139 176.117 0.372 0.000 1.026 27 I CA 3.683 65.178 61.300 0.325 0.000 1.295 27 I CB -1.229 36.913 38.000 0.236 0.000 1.007 27 I HN -0.728 7.670 8.210 0.314 0.000 0.401 28 Q N -4.747 115.183 119.800 0.217 0.000 2.439 28 Q HA -0.361 4.040 4.340 0.102 0.000 0.211 28 Q C 2.594 178.678 176.000 0.140 0.000 0.978 28 Q CA 2.340 58.226 55.803 0.138 0.000 0.897 28 Q CB -0.791 27.989 28.738 0.070 0.000 0.956 28 Q HN -0.191 8.186 8.270 0.178 0.000 0.483 29 Q N 1.237 121.121 119.800 0.141 0.000 1.969 29 Q HA -0.270 4.061 4.340 -0.015 0.000 0.198 29 Q C 2.146 178.154 176.000 0.014 0.000 0.978 29 Q CA 3.185 58.985 55.803 -0.005 0.000 0.830 29 Q CB -0.014 28.627 28.738 -0.162 0.000 0.896 29 Q HN 0.287 8.442 8.270 0.192 0.230 0.431 30 W N -2.511 118.866 121.300 0.129 0.000 2.321 30 W HA -0.396 4.373 4.660 0.183 0.000 0.306 30 W C 2.461 179.074 176.519 0.157 0.000 1.217 30 W CA 3.673 61.157 57.345 0.232 0.000 1.257 30 W CB -0.490 29.184 29.460 0.356 0.000 1.145 30 W HN -0.502 7.814 8.180 0.227 0.000 0.509 31 H N 0.119 119.176 119.070 -0.020 0.000 2.252 31 H HA -0.586 2.816 4.556 -1.923 0.000 0.292 31 H C 1.653 176.831 175.328 -0.251 0.000 1.082 31 H CA 4.504 60.024 56.048 -0.880 0.000 1.229 31 H CB 0.224 29.483 29.762 -0.838 0.000 1.353 31 H HN -0.502 8.026 8.280 0.421 0.004 0.488 32 K N -1.732 118.590 120.400 -0.131 0.000 2.127 32 K HA -0.334 3.877 4.320 -0.181 0.000 0.208 32 K C 2.538 179.075 176.600 -0.106 0.000 1.047 32 K CA 3.263 59.476 56.287 -0.122 0.000 0.927 32 K CB -1.093 31.391 32.500 -0.027 0.000 0.716 32 K HN -0.454 7.817 8.250 0.035 0.000 0.450 33 G N -2.853 105.935 108.800 -0.021 0.000 2.443 33 G HA2 -0.213 3.737 3.960 -0.016 0.000 0.219 33 G HA3 -0.213 3.807 3.960 0.092 -0.005 0.219 33 G C 0.902 175.828 174.900 0.044 0.000 1.131 33 G CA 1.404 46.522 45.100 0.030 0.000 0.775 33 G HN -0.644 7.537 8.290 0.014 0.118 0.547 34 F N 3.787 123.640 119.950 -0.162 0.000 2.098 34 F HA -0.186 4.275 4.527 -0.110 0.000 0.294 34 F C 1.166 176.832 175.800 -0.223 0.000 1.107 34 F CA 2.442 60.334 58.000 -0.182 0.000 1.234 34 F CB 0.456 39.317 39.000 -0.233 0.000 1.002 34 F HN -0.067 8.104 8.300 0.079 0.177 0.472 35 L N -1.778 119.324 121.223 -0.203 0.000 2.089 35 L HA -0.488 3.901 4.340 -0.173 -0.153 0.213 35 L C 2.697 179.466 176.870 -0.169 0.000 1.079 35 L CA 3.010 57.731 54.840 -0.198 0.000 0.758 35 L CB -0.799 41.144 42.059 -0.195 0.000 0.891 35 L HN -0.169 7.872 8.230 -0.314 0.000 0.433 36 R N -1.692 118.719 120.500 -0.148 0.000 2.075 36 R HA -0.376 3.904 4.340 -0.101 0.000 0.230 36 R C 2.410 178.616 176.300 -0.157 0.000 1.140 36 R CA 2.912 58.938 56.100 -0.122 0.000 0.928 36 R CB -0.092 30.154 30.300 -0.089 0.000 0.834 36 R HN -0.634 7.544 8.270 -0.137 0.010 0.429 37 D N -2.689 117.588 120.400 -0.205 0.000 2.228 37 D HA -0.224 4.316 4.640 -0.168 0.000 0.203 37 D C 0.049 176.182 176.300 -0.279 0.000 0.988 37 D CA 2.630 56.484 54.000 -0.245 0.000 0.864 37 D CB 0.493 41.089 40.800 -0.339 0.000 0.928 37 D HN -0.521 7.734 8.370 -0.193 0.000 0.469 38 C N -4.244 114.858 119.300 -0.330 0.000 2.928 38 C HA 0.342 4.693 4.460 -0.183 0.000 0.396 38 C C -2.017 172.854 174.990 -0.198 0.000 1.052 38 C CA -2.515 56.344 59.018 -0.264 0.000 1.251 38 C CB 0.552 28.083 27.740 -0.348 0.000 1.684 38 C HN 0.149 8.037 8.230 -0.352 0.131 0.501 39 P HA -0.053 4.405 4.420 -0.084 -0.089 0.220 39 P C 0.721 177.995 177.300 -0.045 0.000 1.148 39 P CA 1.764 64.817 63.100 -0.077 0.000 0.803 39 P CB 0.568 32.235 31.700 -0.055 0.000 0.782 40 S N -3.491 112.180 115.700 -0.049 0.000 2.701 40 S HA -0.073 4.399 4.470 0.003 0.000 0.220 40 S C 0.421 175.027 174.600 0.011 0.000 0.954 40 S CA -0.854 57.336 58.200 -0.018 0.000 0.936 40 S CB -0.913 62.265 63.200 -0.037 0.000 0.777 40 S HN -0.382 7.859 8.310 -0.072 0.025 0.518 41 G N 1.126 109.940 108.800 0.024 0.000 2.372 41 G HA2 -0.442 3.707 3.960 0.315 0.000 0.297 41 G HA3 -0.442 3.692 3.960 0.290 0.000 0.297 41 G C -2.148 172.831 174.900 0.131 0.000 1.005 41 G CA 0.665 45.891 45.100 0.211 0.000 1.173 41 G HN -0.501 7.559 8.290 -0.034 0.210 0.511 42 Q N -1.851 117.924 119.800 -0.043 0.000 2.275 42 Q HA 0.111 4.382 4.340 -0.116 0.000 0.258 42 Q C -1.798 174.194 176.000 -0.014 0.000 0.960 42 Q CA -1.008 54.760 55.803 -0.058 0.000 0.801 42 Q CB 3.650 32.335 28.738 -0.088 0.000 1.302 42 Q HN -0.503 7.665 8.270 -0.169 0.000 0.433 43 L N 5.969 127.285 121.223 0.155 0.000 2.264 43 L HA 0.340 4.672 4.340 -0.013 0.000 0.287 43 L C -2.208 174.878 176.870 0.360 0.000 1.039 43 L CA -1.763 53.184 54.840 0.179 0.000 0.829 43 L CB 1.970 44.225 42.059 0.327 0.000 1.211 43 L HN 0.442 8.747 8.230 0.295 0.102 0.427 44 A N 6.538 129.474 122.820 0.193 0.000 2.271 44 A HA 0.563 4.971 4.320 0.146 0.000 0.288 44 A C 0.659 178.073 177.584 -0.283 0.000 1.094 44 A CA -1.644 50.427 52.037 0.058 0.000 0.828 44 A CB 2.230 21.256 19.000 0.043 0.000 1.091 44 A HN 0.286 8.497 8.150 0.102 0.000 0.493 45 R N 2.373 122.400 120.500 -0.788 0.000 2.112 45 R HA -0.442 2.717 4.340 -1.969 0.000 0.242 45 R C 1.938 177.996 176.300 -0.404 0.000 1.137 45 R CA 4.013 59.453 56.100 -1.100 0.000 0.944 45 R CB -0.890 28.907 30.300 -0.839 0.000 0.857 45 R HN 0.577 8.460 8.270 -0.644 0.000 0.435 46 E N 0.099 120.154 120.200 -0.242 0.000 2.086 46 E HA -0.409 3.883 4.350 -0.097 0.000 0.205 46 E C 2.135 178.704 176.600 -0.051 0.000 1.027 46 E CA 3.315 59.649 56.400 -0.109 0.000 0.830 46 E CB -0.882 28.774 29.700 -0.074 0.000 0.751 46 E HN 0.077 8.286 8.360 -0.252 0.000 0.456 47 D N -0.898 119.479 120.400 -0.038 0.000 2.078 47 D HA -0.240 4.395 4.640 -0.008 0.000 0.193 47 D C 2.100 178.443 176.300 0.071 0.000 0.990 47 D CA 2.982 56.985 54.000 0.005 0.000 0.827 47 D CB -0.149 40.649 40.800 -0.004 0.000 0.975 47 D HN -0.748 7.590 8.370 -0.060 -0.005 0.451 48 F N 1.391 121.319 119.950 -0.036 0.000 2.087 48 F HA -0.466 4.159 4.527 0.162 0.000 0.299 48 F C 1.986 177.848 175.800 0.104 0.000 1.100 48 F CA 3.371 61.421 58.000 0.082 0.000 1.226 48 F CB 0.248 39.310 39.000 0.103 0.000 0.983 48 F HN -0.505 7.910 8.300 0.193 0.000 0.479 49 V N -2.605 117.445 119.914 0.228 0.000 2.380 49 V HA -0.564 3.702 4.120 0.243 0.000 0.251 49 V C 1.922 178.115 176.094 0.165 0.000 1.063 49 V CA 4.725 67.129 62.300 0.173 0.000 1.055 49 V CB -0.710 31.139 31.823 0.044 0.000 0.657 49 V HN 0.801 8.946 8.190 0.114 0.113 0.455 50 K N -1.917 118.544 120.400 0.102 0.000 2.155 50 K HA -0.229 4.141 4.320 0.083 0.000 0.203 50 K C 2.407 179.069 176.600 0.102 0.000 1.052 50 K CA 1.974 58.309 56.287 0.080 0.000 0.948 50 K CB -0.427 32.093 32.500 0.032 0.000 0.728 50 K HN -0.161 8.003 8.250 0.076 0.132 0.448 51 I N -0.028 120.587 120.570 0.075 0.000 2.127 51 I HA -0.547 3.662 4.170 0.066 0.000 0.241 51 I C 1.921 178.106 176.117 0.113 0.000 1.075 51 I CA 3.985 65.302 61.300 0.029 0.000 1.334 51 I CB -0.110 37.771 38.000 -0.197 0.000 1.040 51 I HN -0.461 7.653 8.210 0.053 0.128 0.405 52 Y N -2.109 118.293 120.300 0.170 0.000 2.184 52 Y HA -0.443 4.416 4.550 0.514 0.000 0.290 52 Y C 1.870 177.983 175.900 0.355 0.000 1.129 52 Y CA 3.762 62.079 58.100 0.362 0.000 1.144 52 Y CB -0.121 38.545 38.460 0.343 0.000 0.995 52 Y HN -0.801 7.736 8.280 0.429 0.000 0.513 53 K N -2.034 118.592 120.400 0.376 0.000 2.360 53 K HA -0.398 4.089 4.320 0.278 0.000 0.201 53 K C 1.808 178.494 176.600 0.143 0.000 1.046 53 K CA 2.688 59.120 56.287 0.242 0.000 0.940 53 K CB -0.626 31.967 32.500 0.155 0.000 0.748 53 K HN -0.355 8.111 8.250 0.360 0.000 0.465 54 Q N -2.982 116.892 119.800 0.123 0.000 2.226 54 Q HA -0.148 4.145 4.340 -0.078 0.000 0.199 54 Q C 1.907 177.787 176.000 -0.200 0.000 0.945 54 Q CA 2.298 58.078 55.803 -0.039 0.000 0.861 54 Q CB 0.667 29.387 28.738 -0.029 0.000 0.953 54 Q HN -0.654 7.556 8.270 0.190 0.175 0.490 55 F N -3.238 116.589 119.950 -0.205 0.000 2.797 55 F HA -0.068 4.165 4.527 -0.491 0.000 0.302 55 F C -0.273 174.870 175.800 -1.094 0.000 1.130 55 F CA 1.910 59.538 58.000 -0.620 0.000 1.387 55 F CB 1.147 39.714 39.000 -0.723 0.000 1.107 55 F HN -0.784 7.597 8.300 0.263 0.077 0.577 56 F N -3.711 116.389 119.950 0.250 0.000 2.753 56 F HA 0.341 5.167 4.527 0.498 0.000 0.379 56 F C -2.303 173.638 175.800 0.234 0.000 1.419 56 F CA -2.982 55.226 58.000 0.348 0.000 1.113 56 F CB 0.085 39.310 39.000 0.376 0.000 2.071 56 F HN -0.522 7.804 8.300 0.161 0.071 0.563 57 P HA -0.104 4.368 4.420 0.087 0.000 0.230 57 P C -0.350 176.962 177.300 0.021 0.000 1.158 57 P CA 0.308 63.414 63.100 0.009 0.000 0.769 57 P CB 0.165 31.773 31.700 -0.153 0.000 0.807 58 F N -1.138 118.886 119.950 0.123 0.000 2.034 58 F HA -0.343 4.226 4.527 0.070 0.000 0.298 58 F C 1.533 177.385 175.800 0.087 0.000 1.193 58 F CA 1.955 60.016 58.000 0.100 0.000 1.208 58 F CB -0.734 38.343 39.000 0.129 0.000 0.945 58 F HN -0.496 7.804 8.300 0.119 0.071 0.521 59 G N -4.318 104.684 108.800 0.337 0.000 3.329 59 G HA2 0.254 4.311 3.960 0.162 0.000 0.180 59 G HA3 0.254 4.315 3.960 0.168 0.000 0.180 59 G C -2.179 172.821 174.900 0.167 0.000 1.640 59 G CA -0.136 45.081 45.100 0.195 0.000 1.018 59 G HN 0.011 8.559 8.290 0.431 0.000 0.581 60 S N -1.615 114.173 115.700 0.147 0.000 2.112 60 S HA 0.490 5.044 4.470 0.141 0.000 0.151 60 S C -1.174 173.514 174.600 0.148 0.000 1.723 60 S CA -2.618 55.663 58.200 0.136 0.000 1.263 60 S CB 0.451 63.714 63.200 0.104 0.000 1.194 60 S HN -0.518 7.873 8.310 0.135 0.000 0.419 61 P HA -0.127 4.390 4.420 0.162 0.000 0.236 61 P C 0.831 178.247 177.300 0.194 0.000 1.172 61 P CA 0.668 63.892 63.100 0.206 0.000 0.759 61 P CB 0.306 32.186 31.700 0.300 0.000 0.843 62 E N -0.061 120.228 120.200 0.149 0.000 2.055 62 E HA -0.516 3.895 4.350 0.101 0.000 0.209 62 E C 1.793 178.398 176.600 0.009 0.000 1.036 62 E CA 3.744 60.195 56.400 0.084 0.000 0.849 62 E CB -0.964 28.771 29.700 0.058 0.000 0.767 62 E HN 0.241 8.578 8.360 0.149 0.113 0.461 63 D N -0.845 119.565 120.400 0.016 0.000 2.157 63 D HA -0.350 4.160 4.640 -0.216 0.000 0.191 63 D C 2.077 178.274 176.300 -0.173 0.000 1.004 63 D CA 3.441 57.393 54.000 -0.080 0.000 0.854 63 D CB -0.400 40.471 40.800 0.118 0.000 0.936 63 D HN -0.223 8.184 8.370 0.061 0.000 0.446 64 F N -1.017 118.880 119.950 -0.089 0.000 2.293 64 F HA -0.273 4.292 4.527 0.063 0.000 0.300 64 F C 0.464 176.139 175.800 -0.208 0.000 1.086 64 F CA 2.484 60.433 58.000 -0.085 0.000 1.375 64 F CB -0.053 38.887 39.000 -0.101 0.000 1.045 64 F HN -0.743 7.617 8.300 0.235 0.081 0.516 65 A N -1.315 121.396 122.820 -0.182 0.000 1.970 65 A HA -0.323 3.841 4.320 -0.260 0.000 0.216 65 A C 1.721 179.209 177.584 -0.160 0.000 1.170 65 A CA 2.966 54.916 52.037 -0.145 0.000 0.645 65 A CB -0.599 18.453 19.000 0.087 0.000 0.816 65 A HN 0.492 8.441 8.150 -0.036 0.180 0.447 66 N N -1.636 116.888 118.700 -0.294 0.000 2.216 66 N HA -0.260 4.364 4.740 -0.194 0.000 0.183 66 N C 1.820 177.173 175.510 -0.262 0.000 1.017 66 N CA 2.826 55.692 53.050 -0.306 0.000 0.861 66 N CB -0.121 38.119 38.487 -0.411 0.000 0.986 66 N HN -0.250 7.833 8.380 -0.330 0.099 0.428 67 H N -0.350 118.626 119.070 -0.157 0.000 2.294 67 H HA -0.083 4.384 4.556 -0.149 0.000 0.306 67 H C 2.242 177.390 175.328 -0.299 0.000 1.065 67 H CA 2.590 58.511 56.048 -0.211 0.000 1.343 67 H CB -0.113 29.511 29.762 -0.231 0.000 1.396 67 H HN -0.473 7.328 8.280 -0.798 0.000 0.506 68 L N -0.565 120.437 121.223 -0.369 0.000 2.089 68 L HA -0.383 3.820 4.340 -0.228 0.000 0.213 68 L C 1.530 178.248 176.870 -0.254 0.000 1.079 68 L CA 3.262 57.904 54.840 -0.330 0.000 0.758 68 L CB -0.502 41.215 42.059 -0.570 0.000 0.891 68 L HN -0.240 7.664 8.230 -0.542 0.000 0.433 69 F N -1.723 117.839 119.950 -0.647 0.000 2.128 69 F HA -0.303 3.246 4.527 -1.630 0.000 0.295 69 F C 1.213 176.755 175.800 -0.430 0.000 1.100 69 F CA 3.626 61.005 58.000 -1.036 0.000 1.260 69 F CB 0.144 38.511 39.000 -1.054 0.000 1.009 69 F HN -0.532 7.580 8.300 -0.287 0.015 0.476 70 T N 1.906 116.323 114.554 -0.229 0.000 2.849 70 T HA -0.402 3.729 4.350 -0.365 0.000 0.270 70 T C 1.123 175.646 174.700 -0.295 0.000 1.066 70 T CA 4.720 66.675 62.100 -0.242 0.000 1.130 70 T CB 0.089 68.938 68.868 -0.033 0.000 0.864 70 T HN -0.586 7.588 8.240 -0.007 0.061 0.481 71 V N 0.001 119.765 119.914 -0.250 0.000 2.331 71 V HA -0.306 3.651 4.120 -0.272 0.000 0.242 71 V C 0.724 176.708 176.094 -0.184 0.000 1.034 71 V CA 2.835 64.983 62.300 -0.253 0.000 1.027 71 V CB -0.077 31.555 31.823 -0.318 0.000 0.667 71 V HN -0.074 7.860 8.190 -0.224 0.122 0.457 72 F N -2.620 117.169 119.950 -0.267 0.000 2.214 72 F HA -0.372 4.199 4.527 0.072 0.000 0.302 72 F C 0.113 175.811 175.800 -0.170 0.000 1.063 72 F CA 2.978 60.912 58.000 -0.110 0.000 1.319 72 F CB 0.295 39.245 39.000 -0.083 0.000 1.046 72 F HN -0.389 7.866 8.300 0.110 0.112 0.505 73 D N -2.465 117.831 120.400 -0.174 0.000 2.411 73 D HA 0.033 4.763 4.640 -0.078 -0.137 0.225 73 D C -0.199 175.991 176.300 -0.183 0.000 1.156 73 D CA -0.581 53.311 54.000 -0.181 0.000 0.874 73 D CB -0.091 40.522 40.800 -0.311 0.000 1.034 73 D HN -0.892 7.251 8.370 -0.289 0.054 0.502 74 K N 3.777 124.091 120.400 -0.144 0.000 2.097 74 K HA -0.270 3.929 4.320 -0.201 0.000 0.206 74 K C 0.984 177.478 176.600 -0.177 0.000 1.049 74 K CA 2.037 58.225 56.287 -0.165 0.000 0.933 74 K CB -0.019 32.408 32.500 -0.122 0.000 0.717 74 K HN 0.172 8.404 8.250 -0.106 -0.045 0.442 75 D N -4.434 115.889 120.400 -0.127 0.000 2.234 75 D HA -0.073 4.497 4.640 -0.118 0.000 0.205 75 D C 0.134 176.358 176.300 -0.127 0.000 0.962 75 D CA 0.606 54.540 54.000 -0.109 0.000 0.855 75 D CB -0.036 40.730 40.800 -0.057 0.000 0.951 75 D HN -0.682 7.878 8.370 -0.097 -0.248 0.500 76 N N -0.839 117.774 118.700 -0.146 0.000 2.714 76 N HA -0.292 4.341 4.740 -0.179 0.000 0.253 76 N C -0.958 174.521 175.510 -0.051 0.000 1.024 76 N CA 1.180 54.140 53.050 -0.150 0.000 0.726 76 N CB -1.002 37.343 38.487 -0.237 0.000 0.908 76 N HN 0.418 8.920 8.380 -0.149 -0.212 0.542 77 N N -1.880 116.837 118.700 0.027 0.000 2.236 77 N HA 0.006 4.805 4.740 0.098 0.000 0.196 77 N C 0.765 176.359 175.510 0.140 0.000 1.114 77 N CA -0.197 52.937 53.050 0.139 0.000 0.859 77 N CB 0.006 38.638 38.487 0.243 0.000 0.982 77 N HN 0.017 8.569 8.380 0.031 -0.153 0.493 78 G N -2.144 106.637 108.800 -0.032 0.000 2.232 78 G HA2 -0.297 3.593 3.960 -0.118 0.000 0.226 78 G HA3 -0.297 3.274 3.960 -0.650 0.000 0.226 78 G C -1.455 173.109 174.900 -0.559 0.000 0.996 78 G CA -0.201 44.682 45.100 -0.360 0.000 0.626 78 G HN 0.153 8.369 8.290 -0.021 0.062 0.509 79 F N -0.037 120.072 119.950 0.264 0.000 2.547 79 F HA 0.362 5.263 4.527 0.414 -0.126 0.316 79 F C -0.888 175.079 175.800 0.279 0.000 1.121 79 F CA -1.584 56.597 58.000 0.302 0.000 0.911 79 F CB 2.743 41.870 39.000 0.211 0.000 1.179 79 F HN -0.749 7.890 8.300 0.333 -0.139 0.443 80 I N 3.507 124.335 120.570 0.431 0.000 2.304 80 I HA 0.263 4.812 4.170 0.294 -0.203 0.291 80 I C -0.557 175.845 176.117 0.474 0.000 1.018 80 I CA -0.872 60.650 61.300 0.369 0.000 1.260 80 I CB 1.291 39.491 38.000 0.334 0.000 1.390 80 I HN 0.744 9.171 8.210 0.537 0.105 0.475 81 H N 7.478 126.734 119.070 0.310 0.000 2.508 81 H HA 0.294 5.142 4.556 0.487 0.000 0.358 81 H C 1.055 176.427 175.328 0.074 0.000 1.212 81 H CA -0.382 55.846 56.048 0.301 0.000 1.356 81 H CB 1.261 31.145 29.762 0.203 0.000 1.525 81 H HN 0.547 9.553 8.280 0.600 -0.366 0.578 82 F N 3.572 123.352 119.950 -0.282 0.000 2.063 82 F HA -0.532 3.196 4.527 -1.332 0.000 0.298 82 F C 1.188 176.903 175.800 -0.141 0.000 1.109 82 F CA 4.427 62.027 58.000 -0.667 0.000 1.212 82 F CB 0.114 38.856 39.000 -0.429 0.000 0.973 82 F HN 0.720 9.150 8.300 0.217 0.000 0.480 83 E N -3.217 116.950 120.200 -0.054 0.000 2.108 83 E HA -0.503 3.714 4.350 -0.222 0.000 0.203 83 E C 2.632 179.128 176.600 -0.173 0.000 1.022 83 E CA 4.114 60.434 56.400 -0.133 0.000 0.823 83 E CB -0.748 28.957 29.700 0.008 0.000 0.744 83 E HN 0.571 9.046 8.360 0.191 0.000 0.456 84 E N -0.954 119.217 120.200 -0.048 0.000 2.072 84 E HA -0.302 4.003 4.350 -0.076 0.000 0.191 84 E C 1.998 178.587 176.600 -0.018 0.000 0.985 84 E CA 2.681 59.067 56.400 -0.023 0.000 0.801 84 E CB -0.109 29.636 29.700 0.075 0.000 0.750 84 E HN -0.725 7.659 8.360 0.041 0.000 0.452 85 F N 0.724 120.602 119.950 -0.120 0.000 2.010 85 F HA -0.383 4.350 4.527 0.343 0.000 0.296 85 F C 1.730 177.372 175.800 -0.263 0.000 1.146 85 F CA 3.735 61.722 58.000 -0.021 0.000 1.181 85 F CB 0.229 39.180 39.000 -0.081 0.000 0.965 85 F HN -0.345 7.977 8.300 0.145 0.065 0.480 86 I N -1.676 118.584 120.570 -0.517 0.000 2.145 86 I HA -0.622 3.060 4.170 -0.814 0.000 0.244 86 I C 1.238 177.099 176.117 -0.427 0.000 1.075 86 I CA 3.010 63.886 61.300 -0.707 0.000 1.332 86 I CB -0.269 37.131 38.000 -1.000 0.000 1.033 86 I HN -0.139 7.643 8.210 -0.714 0.000 0.410 87 T N 1.522 115.879 114.554 -0.328 0.000 2.685 87 T HA -0.458 3.827 4.350 -0.109 0.000 0.268 87 T C 1.907 176.461 174.700 -0.243 0.000 1.034 87 T CA 5.177 67.159 62.100 -0.197 0.000 1.149 87 T CB -0.169 68.600 68.868 -0.166 0.000 0.860 87 T HN -0.626 7.394 8.240 -0.368 0.000 0.449 88 V N 2.109 121.797 119.914 -0.377 0.000 2.407 88 V HA -0.255 3.564 4.120 -0.502 0.000 0.245 88 V C 2.095 177.936 176.094 -0.422 0.000 1.041 88 V CA 3.489 65.463 62.300 -0.543 0.000 1.040 88 V CB -0.006 31.153 31.823 -1.107 0.000 0.671 88 V HN -0.469 7.398 8.190 -0.380 0.095 0.455 89 L N -1.444 119.542 121.223 -0.396 0.000 2.137 89 L HA -0.519 3.647 4.340 -0.290 0.000 0.213 89 L C 1.746 178.584 176.870 -0.053 0.000 1.085 89 L CA 3.454 58.103 54.840 -0.317 0.000 0.760 89 L CB -1.086 40.540 42.059 -0.722 0.000 0.893 89 L HN 0.117 7.992 8.230 -0.486 0.063 0.434 90 S N -1.652 114.061 115.700 0.022 0.000 2.315 90 S HA -0.102 4.131 4.470 -0.395 0.000 0.211 90 S C 2.753 177.131 174.600 -0.369 0.000 1.029 90 S CA 2.640 60.735 58.200 -0.175 0.000 0.956 90 S CB 0.211 63.400 63.200 -0.019 0.000 0.918 90 S HN -0.331 7.932 8.310 -0.028 0.030 0.470 91 T N 3.416 117.742 114.554 -0.380 0.000 2.685 91 T HA -0.315 3.868 4.350 -0.516 -0.142 0.268 91 T C 1.699 176.126 174.700 -0.455 0.000 1.034 91 T CA 3.475 65.309 62.100 -0.444 0.000 1.149 91 T CB -0.660 67.981 68.868 -0.380 0.000 0.860 91 T HN -0.396 7.670 8.240 -0.290 0.000 0.449 92 T N 2.503 116.759 114.554 -0.496 0.000 2.778 92 T HA -0.411 3.558 4.350 -0.636 0.000 0.269 92 T C 0.577 175.095 174.700 -0.304 0.000 1.050 92 T CA 3.337 65.152 62.100 -0.476 0.000 1.137 92 T CB 0.192 68.835 68.868 -0.375 0.000 0.860 92 T HN 0.178 8.011 8.240 -0.489 0.113 0.468 93 S N -0.233 115.304 115.700 -0.273 0.000 2.400 93 S HA 0.049 4.427 4.470 -0.154 0.000 0.170 93 S C -0.193 174.265 174.600 -0.236 0.000 0.917 93 S CA 1.773 59.849 58.200 -0.208 0.000 1.028 93 S CB 0.662 63.751 63.200 -0.186 0.000 0.810 93 S HN -0.071 7.903 8.310 -0.305 0.153 0.504 94 R N -0.203 120.121 120.500 -0.293 0.000 2.553 94 R HA 0.101 4.315 4.340 -0.210 0.000 0.263 94 R C -0.059 175.941 176.300 -0.500 0.000 1.066 94 R CA -0.412 55.510 56.100 -0.296 0.000 1.135 94 R CB 0.840 31.012 30.300 -0.213 0.000 1.148 94 R HN -0.512 7.564 8.270 -0.324 0.000 0.558 95 G N -1.776 106.780 108.800 -0.408 0.000 3.765 95 G HA2 0.014 3.397 3.960 -0.962 0.000 0.153 95 G HA3 0.014 3.749 3.960 -0.376 0.000 0.153 95 G C -0.916 173.877 174.900 -0.178 0.000 1.286 95 G CA 0.804 45.614 45.100 -0.484 0.000 0.814 95 G HN 0.160 8.305 8.290 -0.243 0.000 0.772 96 T N -1.378 113.119 114.554 -0.095 0.000 5.221 96 T HA -0.412 3.928 4.350 -0.018 0.000 0.299 96 T C -0.807 173.887 174.700 -0.010 0.000 1.489 96 T CA 1.240 63.331 62.100 -0.016 0.000 2.593 96 T CB -0.954 67.943 68.868 0.050 0.000 1.859 96 T HN -0.157 8.012 8.240 -0.119 0.000 0.982 97 L N -2.720 118.483 121.223 -0.033 0.000 2.671 97 L HA 0.218 4.557 4.340 -0.002 0.000 0.259 97 L C -1.048 175.814 176.870 -0.012 0.000 1.021 97 L CA -1.286 53.547 54.840 -0.013 0.000 0.871 97 L CB 1.974 44.032 42.059 -0.002 0.000 1.472 97 L HN -0.790 7.350 8.230 -0.068 0.050 0.410 98 E N 1.132 121.337 120.200 0.009 0.000 2.527 98 E HA -0.208 4.159 4.350 0.028 0.000 0.204 98 E C 1.198 177.828 176.600 0.048 0.000 1.132 98 E CA 1.201 57.619 56.400 0.030 0.000 0.905 98 E CB -0.274 29.450 29.700 0.039 0.000 0.875 98 E HN 0.345 8.712 8.360 0.010 0.000 0.548 99 E N -0.683 119.528 120.200 0.018 0.000 2.284 99 E HA -0.393 3.986 4.350 0.048 0.000 0.200 99 E C 1.700 178.350 176.600 0.084 0.000 1.008 99 E CA 2.969 59.387 56.400 0.029 0.000 0.829 99 E CB -0.526 29.149 29.700 -0.041 0.000 0.744 99 E HN 0.434 8.614 8.360 -0.006 0.176 0.491 100 K N -1.108 119.331 120.400 0.066 0.000 2.025 100 K HA -0.292 4.089 4.320 0.103 0.000 0.207 100 K C 2.221 178.976 176.600 0.257 0.000 1.049 100 K CA 3.232 59.593 56.287 0.122 0.000 0.933 100 K CB -0.195 32.343 32.500 0.064 0.000 0.714 100 K HN -0.796 7.418 8.250 0.028 0.053 0.438 101 L N -1.756 119.609 121.223 0.238 0.000 2.083 101 L HA -0.340 4.281 4.340 0.468 0.000 0.209 101 L C 1.977 179.092 176.870 0.409 0.000 1.083 101 L CA 2.912 57.979 54.840 0.378 0.000 0.752 101 L CB -0.577 41.656 42.059 0.290 0.000 0.899 101 L HN -0.081 8.159 8.230 0.165 0.089 0.433 102 S N -0.162 115.693 115.700 0.259 0.000 2.345 102 S HA -0.354 4.208 4.470 0.153 0.000 0.220 102 S C 1.686 176.393 174.600 0.178 0.000 1.031 102 S CA 3.086 61.390 58.200 0.173 0.000 0.996 102 S CB -0.121 63.132 63.200 0.088 0.000 0.882 102 S HN -0.559 7.866 8.310 0.205 0.008 0.445 103 W N 4.325 125.638 121.300 0.021 0.000 2.321 103 W HA -0.336 4.290 4.660 -0.057 0.000 0.306 103 W C 1.431 177.948 176.519 -0.004 0.000 1.217 103 W CA 4.222 61.551 57.345 -0.028 0.000 1.257 103 W CB -0.061 29.358 29.460 -0.069 0.000 1.145 103 W HN 0.284 8.552 8.180 0.324 0.107 0.509 104 A N -2.102 120.900 122.820 0.303 0.000 1.902 104 A HA -0.434 3.861 4.320 -0.042 0.000 0.217 104 A C 1.573 179.063 177.584 -0.158 0.000 1.181 104 A CA 2.901 55.006 52.037 0.112 0.000 0.623 104 A CB -1.273 17.978 19.000 0.419 0.000 0.818 104 A HN -0.174 8.249 8.150 0.466 0.006 0.443 105 F N -0.535 119.214 119.950 -0.335 0.000 2.091 105 F HA -0.468 3.556 4.527 -0.839 0.000 0.299 105 F C 1.477 177.052 175.800 -0.374 0.000 1.103 105 F CA 4.075 61.746 58.000 -0.549 0.000 1.228 105 F CB 0.122 38.849 39.000 -0.455 0.000 0.984 105 F HN -0.442 7.822 8.300 0.086 0.087 0.477 106 E N -2.943 117.186 120.200 -0.118 0.000 2.097 106 E HA -0.417 3.899 4.350 -0.057 0.000 0.196 106 E C 2.852 179.204 176.600 -0.413 0.000 1.000 106 E CA 3.015 59.272 56.400 -0.238 0.000 0.804 106 E CB -0.403 29.073 29.700 -0.374 0.000 0.740 106 E HN -0.703 7.612 8.360 -0.075 0.000 0.454 107 L N -0.647 120.212 121.223 -0.606 0.000 2.056 107 L HA -0.308 3.711 4.340 -0.534 0.000 0.207 107 L C 1.043 177.612 176.870 -0.501 0.000 1.078 107 L CA 2.442 56.915 54.840 -0.612 0.000 0.749 107 L CB 0.336 41.933 42.059 -0.770 0.000 0.901 107 L HN -0.680 7.036 8.230 -0.703 0.092 0.433 108 Y N -7.236 112.818 120.300 -0.410 0.000 2.584 108 Y HA -0.195 4.200 4.550 -0.259 0.000 0.317 108 Y C -1.078 174.563 175.900 -0.430 0.000 1.208 108 Y CA 0.605 58.473 58.100 -0.386 0.000 1.299 108 Y CB -0.196 37.984 38.460 -0.467 0.000 1.047 108 Y HN -0.386 7.547 8.280 -0.451 0.076 0.506 109 D N -1.561 118.658 120.400 -0.303 0.000 2.443 109 D HA 0.268 4.992 4.640 -0.216 -0.214 0.281 109 D C 0.187 176.389 176.300 -0.163 0.000 1.210 109 D CA -2.631 51.217 54.000 -0.254 0.000 0.875 109 D CB 0.177 40.789 40.800 -0.313 0.000 1.125 109 D HN -0.777 7.170 8.370 -0.331 0.224 0.503 110 L N 1.122 122.252 121.223 -0.155 0.000 1.997 110 L HA -0.316 3.958 4.340 -0.110 0.000 0.216 110 L C 0.937 177.782 176.870 -0.043 0.000 1.074 110 L CA 3.156 57.931 54.840 -0.108 0.000 0.763 110 L CB -0.399 41.589 42.059 -0.119 0.000 0.890 110 L HN 0.298 8.427 8.230 -0.168 0.000 0.434 111 N N -6.063 112.577 118.700 -0.101 0.000 2.573 111 N HA -0.200 4.473 4.740 -0.112 0.000 0.187 111 N C -0.665 174.593 175.510 -0.421 0.000 1.107 111 N CA 0.432 53.373 53.050 -0.182 0.000 0.918 111 N CB -0.035 38.329 38.487 -0.205 0.000 0.966 111 N HN -0.001 8.305 8.380 -0.124 0.000 0.448 112 H N -5.936 113.062 119.070 -0.121 0.000 2.580 112 H HA -0.345 4.272 4.556 -0.103 -0.123 0.316 112 H C -1.032 174.228 175.328 -0.113 0.000 1.073 112 H CA 0.557 56.537 56.048 -0.112 0.000 1.135 112 H CB -2.840 26.850 29.762 -0.121 0.000 1.437 112 H HN 0.165 8.230 8.280 -0.069 0.173 0.404 113 D N -2.388 117.785 120.400 -0.378 0.000 2.400 113 D HA -0.123 4.255 4.640 -0.437 0.000 0.243 113 D C 0.878 176.905 176.300 -0.454 0.000 1.184 113 D CA -0.375 53.398 54.000 -0.378 0.000 0.853 113 D CB -0.081 40.557 40.800 -0.270 0.000 0.944 113 D HN -0.773 7.452 8.370 -0.287 -0.028 0.501 114 G N -2.202 106.401 108.800 -0.329 0.000 2.257 114 G HA2 -0.474 3.348 3.960 -0.230 0.000 0.267 114 G HA3 -0.474 2.941 3.960 -0.908 0.000 0.267 114 G C -1.559 173.071 174.900 -0.449 0.000 0.984 114 G CA 1.059 45.845 45.100 -0.524 0.000 0.626 114 G HN -0.117 8.018 8.290 -0.136 0.073 0.540 115 Y N -2.039 118.372 120.300 0.185 0.000 2.442 115 Y HA 0.739 5.743 4.550 0.448 -0.185 0.344 115 Y C -0.914 175.021 175.900 0.058 0.000 0.976 115 Y CA -2.319 55.909 58.100 0.212 0.000 1.040 115 Y CB 1.881 40.363 38.460 0.036 0.000 1.228 115 Y HN -1.013 7.249 8.280 -0.252 -0.134 0.451 116 I N 1.086 121.756 120.570 0.166 0.000 2.834 116 I HA 0.341 4.872 4.170 -0.117 -0.431 0.305 116 I C 0.333 176.576 176.117 0.209 0.000 1.008 116 I CA -0.533 60.756 61.300 -0.018 0.000 1.273 116 I CB 2.049 39.914 38.000 -0.225 0.000 1.432 116 I HN 0.662 9.047 8.210 0.292 0.000 0.557 117 T N 2.914 117.543 114.554 0.124 0.000 2.916 117 T HA 0.484 5.006 4.350 0.286 0.000 0.298 117 T C 1.023 175.689 174.700 -0.057 0.000 1.031 117 T CA -1.217 60.927 62.100 0.073 0.000 0.993 117 T CB 2.450 71.216 68.868 -0.170 0.000 1.045 117 T HN 0.012 8.454 8.240 0.020 -0.190 0.454 118 F N 4.514 124.381 119.950 -0.138 0.000 2.176 118 F HA -0.493 3.924 4.527 -0.183 0.000 0.301 118 F C 0.172 175.913 175.800 -0.099 0.000 1.071 118 F CA 3.978 61.768 58.000 -0.350 0.000 1.289 118 F CB -0.661 37.915 39.000 -0.705 0.000 1.028 118 F HN -0.003 8.216 8.300 -0.134 0.000 0.494 119 D N -0.269 119.383 120.400 -1.248 0.000 2.144 119 D HA -0.316 4.171 4.640 -0.255 0.000 0.200 119 D C 2.086 178.232 176.300 -0.256 0.000 0.978 119 D CA 3.536 57.128 54.000 -0.679 0.000 0.833 119 D CB -0.311 39.981 40.800 -0.847 0.000 0.961 119 D HN 0.300 7.449 8.370 -1.992 0.026 0.470 120 E N 0.102 120.162 120.200 -0.234 0.000 2.028 120 E HA -0.261 4.000 4.350 -0.147 0.000 0.190 120 E C 2.329 178.917 176.600 -0.020 0.000 0.984 120 E CA 2.365 58.691 56.400 -0.125 0.000 0.800 120 E CB -0.075 29.553 29.700 -0.119 0.000 0.758 120 E HN 0.055 8.110 8.360 -0.315 0.116 0.448 121 M N 0.411 120.056 119.600 0.075 0.000 2.088 121 M HA -0.405 4.245 4.480 0.282 0.000 0.256 121 M C 1.636 178.028 176.300 0.152 0.000 1.071 121 M CA 3.069 58.476 55.300 0.178 0.000 1.097 121 M CB -0.325 32.418 32.600 0.239 0.000 1.315 121 M HN -0.091 8.245 8.290 0.077 0.000 0.406 122 L N -2.564 118.727 121.223 0.114 0.000 1.990 122 L HA -0.497 3.896 4.340 0.087 0.000 0.213 122 L C 1.514 178.414 176.870 0.050 0.000 1.072 122 L CA 3.675 58.565 54.840 0.083 0.000 0.755 122 L CB -0.422 41.689 42.059 0.086 0.000 0.889 122 L HN -0.357 7.945 8.230 0.120 0.000 0.432 123 T N 1.358 115.913 114.554 0.003 0.000 2.592 123 T HA -0.541 3.807 4.350 -0.004 0.000 0.267 123 T C 2.392 177.066 174.700 -0.042 0.000 1.060 123 T CA 4.439 66.510 62.100 -0.048 0.000 1.167 123 T CB -0.477 68.293 68.868 -0.162 0.000 0.863 123 T HN -0.553 7.620 8.240 -0.011 0.060 0.431 124 I N 0.946 121.481 120.570 -0.058 0.000 2.090 124 I HA -0.409 3.756 4.170 -0.010 0.000 0.236 124 I C 2.164 178.377 176.117 0.160 0.000 1.064 124 I CA 1.999 63.311 61.300 0.021 0.000 1.324 124 I CB -1.554 36.444 38.000 -0.003 0.000 1.044 124 I HN -0.410 7.766 8.210 -0.056 0.000 0.399 125 V N 0.471 120.504 119.914 0.198 0.000 2.277 125 V HA -0.575 3.693 4.120 0.247 0.000 0.253 125 V C 2.385 178.581 176.094 0.170 0.000 1.067 125 V CA 3.814 66.234 62.300 0.201 0.000 1.047 125 V CB -1.559 30.355 31.823 0.151 0.000 0.649 125 V HN -0.004 8.320 8.190 0.223 0.000 0.447 126 A N -2.385 120.501 122.820 0.109 0.000 1.972 126 A HA -0.293 4.053 4.320 0.043 0.000 0.219 126 A C 1.926 179.626 177.584 0.193 0.000 1.169 126 A CA 3.250 55.349 52.037 0.103 0.000 0.635 126 A CB -0.842 18.198 19.000 0.067 0.000 0.810 126 A HN 0.671 8.759 8.150 0.089 0.116 0.446 127 S N -0.446 115.380 115.700 0.210 0.000 2.338 127 S HA -0.257 4.351 4.470 0.230 0.000 0.218 127 S C 2.231 176.945 174.600 0.190 0.000 1.032 127 S CA 3.221 61.572 58.200 0.252 0.000 0.999 127 S CB -0.078 63.360 63.200 0.398 0.000 0.905 127 S HN -0.208 8.072 8.310 0.190 0.144 0.439 128 V N -1.783 118.227 119.914 0.160 0.000 2.828 128 V HA -0.369 3.652 4.120 -0.164 0.000 0.260 128 V C 0.636 176.772 176.094 0.070 0.000 1.101 128 V CA 2.658 64.964 62.300 0.010 0.000 1.123 128 V CB -0.222 31.613 31.823 0.019 0.000 0.704 128 V HN -0.531 7.786 8.190 0.211 0.000 0.493 129 Y N 0.916 121.229 120.300 0.022 0.000 2.206 129 Y HA -0.236 4.320 4.550 0.010 0.000 0.292 129 Y C 1.643 177.556 175.900 0.022 0.000 1.123 129 Y CA 3.100 61.213 58.100 0.023 0.000 1.142 129 Y CB 0.432 38.918 38.460 0.043 0.000 1.006 129 Y HN -0.681 7.608 8.280 0.312 0.179 0.518 130 K N -1.577 118.933 120.400 0.184 0.000 3.001 130 K HA 0.110 4.486 4.320 0.095 0.000 0.257 130 K C -1.527 175.118 176.600 0.075 0.000 1.290 130 K CA -0.828 55.530 56.287 0.117 0.000 1.252 130 K CB -2.532 30.052 32.500 0.140 0.000 1.656 130 K HN -0.388 7.999 8.250 0.229 0.000 0.351 131 M N -0.640 118.968 119.600 0.014 0.000 2.412 131 M HA 0.082 4.598 4.480 0.061 0.000 0.183 131 M C -1.510 174.775 176.300 -0.025 0.000 1.990 131 M CA 1.476 56.774 55.300 -0.004 0.000 1.138 131 M CB 1.972 34.507 32.600 -0.109 0.000 1.421 131 M HN -0.335 7.865 8.290 -0.025 0.074 0.609 132 M N -0.781 118.753 119.600 -0.110 0.000 2.336 132 M HA 0.121 4.512 4.480 -0.149 0.000 0.256 132 M C -0.105 176.115 176.300 -0.134 0.000 1.176 132 M CA -1.500 53.713 55.300 -0.146 0.000 0.948 132 M CB 1.129 33.616 32.600 -0.188 0.000 1.393 132 M HN -0.196 8.009 8.290 -0.141 0.000 0.528 133 G N -1.507 107.206 108.800 -0.146 0.000 2.719 133 G HA2 0.152 4.052 3.960 -0.100 0.000 0.211 133 G HA3 0.152 4.056 3.960 -0.093 0.000 0.211 133 G C 1.506 176.330 174.900 -0.126 0.000 1.140 133 G CA 0.723 45.755 45.100 -0.114 0.000 0.790 133 G HN 0.149 8.329 8.290 -0.182 0.000 0.529 134 S N 2.414 118.035 115.700 -0.132 0.000 2.389 134 S HA -0.305 4.112 4.470 -0.089 0.000 0.231 134 S C 1.802 176.320 174.600 -0.137 0.000 1.052 134 S CA 3.297 61.429 58.200 -0.114 0.000 1.053 134 S CB -0.062 63.074 63.200 -0.106 0.000 0.886 134 S HN -0.004 8.221 8.310 -0.142 0.000 0.456 135 M N -1.801 117.673 119.600 -0.211 0.000 2.419 135 M HA -0.239 4.075 4.480 -0.275 0.000 0.260 135 M C 1.584 177.739 176.300 -0.241 0.000 1.073 135 M CA 1.704 56.804 55.300 -0.333 0.000 1.056 135 M CB -1.734 30.465 32.600 -0.667 0.000 1.394 135 M HN -0.121 8.031 8.290 -0.215 0.008 0.444 136 V N -2.549 117.271 119.914 -0.157 0.000 2.346 136 V HA -0.231 3.843 4.120 -0.077 0.000 0.244 136 V C 2.149 178.213 176.094 -0.050 0.000 1.037 136 V CA 3.848 66.097 62.300 -0.085 0.000 1.029 136 V CB -0.535 31.252 31.823 -0.060 0.000 0.663 136 V HN 0.749 8.633 8.190 -0.152 0.215 0.454 137 T N 3.191 117.715 114.554 -0.050 0.000 2.822 137 T HA -0.444 3.894 4.350 -0.019 0.000 0.270 137 T C 1.750 176.439 174.700 -0.019 0.000 1.064 137 T CA 3.612 65.694 62.100 -0.029 0.000 1.131 137 T CB -0.438 68.411 68.868 -0.031 0.000 0.858 137 T HN -0.372 7.756 8.240 -0.064 0.074 0.483 138 L N 0.137 121.344 121.223 -0.027 0.000 2.151 138 L HA -0.387 3.954 4.340 0.002 0.000 0.215 138 L C 0.990 177.871 176.870 0.018 0.000 1.084 138 L CA 2.494 57.333 54.840 -0.001 0.000 0.764 138 L CB -0.264 41.798 42.059 0.005 0.000 0.891 138 L HN -0.553 7.518 8.230 -0.054 0.126 0.435 139 N N -0.750 117.959 118.700 0.015 0.000 1.643 139 N HA -0.488 4.272 4.740 0.033 0.000 0.123 139 N C 0.578 176.104 175.510 0.027 0.000 0.476 139 N CA 2.939 56.003 53.050 0.024 0.000 0.796 139 N CB -0.259 38.236 38.487 0.014 0.000 0.712 139 N HN -0.111 8.119 8.380 0.002 0.151 1.360 140 E N 0.534 120.745 120.200 0.019 0.000 2.918 140 E HA -0.155 4.205 4.350 0.017 0.000 0.232 140 E C -1.091 175.523 176.600 0.025 0.000 1.073 140 E CA 1.183 57.594 56.400 0.019 0.000 0.949 140 E CB -0.812 28.896 29.700 0.014 0.000 0.937 140 E HN -0.015 8.359 8.360 0.014 -0.005 0.536 141 D N 2.678 123.093 120.400 0.025 0.000 5.134 141 D HA -0.369 4.286 4.640 0.025 0.000 0.314 141 D C -1.241 175.084 176.300 0.042 0.000 2.492 141 D CA 1.531 55.548 54.000 0.028 0.000 1.177 141 D CB 0.771 41.585 40.800 0.023 0.000 1.155 141 D HN -0.190 8.193 8.370 0.022 0.000 1.318 142 E N -2.465 117.761 120.200 0.043 0.000 9.216 142 E HA -0.296 4.084 4.350 0.050 0.000 0.459 142 E C -1.967 174.676 176.600 0.071 0.000 1.406 142 E CA 1.316 57.752 56.400 0.061 0.000 2.442 142 E CB 0.471 30.221 29.700 0.083 0.000 1.033 142 E HN 0.284 8.664 8.360 0.033 0.000 0.376 143 A N -2.713 120.159 122.820 0.087 0.000 4.056 143 A HA 0.113 4.508 4.320 0.126 0.000 0.277 143 A C -1.386 176.224 177.584 0.044 0.000 1.037 143 A CA -0.307 51.782 52.037 0.087 0.000 0.572 143 A CB 1.328 20.350 19.000 0.036 0.000 1.685 143 A HN -0.143 8.059 8.150 0.086 0.000 0.799 144 T N -1.017 113.518 114.554 -0.031 0.000 2.854 144 T HA -0.079 4.064 4.350 -0.345 0.000 0.336 144 T C -0.781 173.703 174.700 -0.361 0.000 1.095 144 T CA -0.501 61.462 62.100 -0.228 0.000 1.118 144 T CB -1.860 66.937 68.868 -0.118 0.000 1.025 144 T HN -0.109 8.134 8.240 0.006 0.000 0.549 145 P HA -0.271 3.924 4.420 -0.375 0.000 0.215 145 P C 1.543 178.751 177.300 -0.153 0.000 1.157 145 P CA 2.602 65.467 63.100 -0.392 0.000 0.868 145 P CB 0.071 31.557 31.700 -0.356 0.000 0.788 146 E N -3.782 116.346 120.200 -0.120 0.000 2.197 146 E HA -0.482 3.851 4.350 -0.028 0.000 0.205 146 E C 2.044 178.619 176.600 -0.042 0.000 1.029 146 E CA 2.996 59.363 56.400 -0.056 0.000 0.828 146 E CB -1.190 28.478 29.700 -0.053 0.000 0.737 146 E HN 0.556 8.827 8.360 -0.150 0.000 0.464 147 M N 0.362 119.932 119.600 -0.050 0.000 2.115 147 M HA -0.225 4.242 4.480 -0.022 0.000 0.261 147 M C 1.662 177.960 176.300 -0.003 0.000 1.079 147 M CA 1.684 56.969 55.300 -0.024 0.000 1.143 147 M CB -0.274 32.315 32.600 -0.018 0.000 1.332 147 M HN -0.615 7.613 8.290 -0.075 0.018 0.421 148 R N -0.324 120.173 120.500 -0.006 0.000 2.159 148 R HA -0.385 3.976 4.340 0.035 0.000 0.252 148 R C 2.181 178.510 176.300 0.048 0.000 1.144 148 R CA 3.429 59.544 56.100 0.026 0.000 0.961 148 R CB -0.607 29.711 30.300 0.030 0.000 0.877 148 R HN -0.640 7.610 8.270 -0.034 0.000 0.444 149 V N -3.135 116.813 119.914 0.057 0.000 2.270 149 V HA -0.356 3.850 4.120 0.143 0.000 0.245 149 V C 1.557 177.737 176.094 0.143 0.000 1.043 149 V CA 3.426 65.801 62.300 0.125 0.000 1.014 149 V CB -1.224 30.680 31.823 0.136 0.000 0.645 149 V HN -0.144 8.063 8.190 0.028 -0.000 0.447 150 K N 0.276 120.714 120.400 0.063 0.000 2.089 150 K HA -0.469 3.858 4.320 0.010 0.000 0.210 150 K C 2.498 179.138 176.600 0.067 0.000 1.048 150 K CA 3.805 60.111 56.287 0.031 0.000 0.926 150 K CB -0.512 31.974 32.500 -0.024 0.000 0.714 150 K HN -0.690 7.579 8.250 0.031 0.000 0.448 151 K N -1.412 119.020 120.400 0.054 0.000 2.031 151 K HA -0.259 4.081 4.320 0.035 0.000 0.205 151 K C 2.219 178.854 176.600 0.058 0.000 1.049 151 K CA 2.826 59.140 56.287 0.045 0.000 0.939 151 K CB -0.058 32.459 32.500 0.028 0.000 0.717 151 K HN -0.248 8.020 8.250 0.044 0.009 0.438 152 I N 0.042 120.653 120.570 0.069 0.000 2.069 152 I HA -0.599 3.566 4.170 -0.007 0.000 0.237 152 I C 1.755 177.893 176.117 0.035 0.000 1.053 152 I CA 4.224 65.542 61.300 0.030 0.000 1.311 152 I CB -0.075 37.937 38.000 0.020 0.000 1.030 152 I HN -0.149 8.038 8.210 0.077 0.069 0.398 153 F N -0.720 119.223 119.950 -0.012 0.000 2.063 153 F HA -0.595 3.935 4.527 0.005 0.000 0.298 153 F C 1.990 177.781 175.800 -0.016 0.000 1.109 153 F CA 4.460 62.458 58.000 -0.003 0.000 1.212 153 F CB -0.238 38.768 39.000 0.010 0.000 0.973 153 F HN -0.198 8.325 8.300 0.371 0.000 0.480 154 K N -5.127 115.378 120.400 0.175 0.000 2.442 154 K HA -0.255 4.114 4.320 0.081 0.000 0.198 154 K C 1.171 177.789 176.600 0.029 0.000 1.044 154 K CA 1.990 58.324 56.287 0.079 0.000 0.948 154 K CB -0.120 32.410 32.500 0.049 0.000 0.762 154 K HN -0.551 7.818 8.250 0.199 0.000 0.472 155 L N -2.623 118.607 121.223 0.012 0.000 2.388 155 L HA 0.098 4.428 4.340 -0.016 0.000 0.209 155 L C 0.608 177.445 176.870 -0.055 0.000 1.061 155 L CA 1.452 56.279 54.840 -0.021 0.000 0.834 155 L CB 1.602 43.648 42.059 -0.023 0.000 1.029 155 L HN -0.119 7.889 8.230 0.028 0.240 0.473 156 M N -4.906 114.640 119.600 -0.091 0.000 2.419 156 M HA 0.018 4.428 4.480 -0.117 0.000 0.252 156 M C -0.868 175.352 176.300 -0.133 0.000 1.143 156 M CA 0.822 56.040 55.300 -0.137 0.000 0.985 156 M CB 0.868 33.344 32.600 -0.206 0.000 1.489 156 M HN 0.195 8.226 8.290 -0.087 0.207 0.484 157 D N -0.859 119.491 120.400 -0.084 0.000 2.337 157 D HA 0.256 4.868 4.640 -0.048 0.000 0.238 157 D C -0.831 175.472 176.300 0.005 0.000 1.331 157 D CA -0.252 53.722 54.000 -0.043 0.000 0.967 157 D CB 1.540 42.316 40.800 -0.040 0.000 1.382 157 D HN -0.414 7.855 8.370 -0.052 0.070 0.549 158 K N 3.022 123.417 120.400 -0.009 0.000 2.458 158 K HA 0.017 4.338 4.320 0.003 0.000 0.194 158 K C 0.208 176.804 176.600 -0.007 0.000 1.024 158 K CA 1.312 57.597 56.287 -0.005 0.000 1.108 158 K CB -0.583 31.910 32.500 -0.012 0.000 0.846 158 K HN 0.353 8.591 8.250 -0.019 0.000 0.518 159 N N -3.098 115.597 118.700 -0.008 0.000 2.325 159 N HA -0.049 4.679 4.740 -0.020 0.000 0.182 159 N C -0.729 174.763 175.510 -0.029 0.000 1.088 159 N CA -0.609 52.429 53.050 -0.021 0.000 0.879 159 N CB -0.387 38.084 38.487 -0.028 0.000 0.983 159 N HN -0.535 7.745 8.380 -0.005 0.098 0.471 160 E N -0.548 119.649 120.200 -0.005 0.000 2.332 160 E HA -0.355 4.076 4.350 0.044 -0.055 0.162 160 E C -0.976 175.578 176.600 -0.076 0.000 1.637 160 E CA 1.053 57.448 56.400 -0.009 0.000 0.654 160 E CB -1.452 28.235 29.700 -0.022 0.000 1.072 160 E HN -0.632 7.725 8.360 0.017 0.013 0.336 161 D N 0.041 120.364 120.400 -0.129 0.000 2.535 161 D HA 0.130 4.599 4.640 -0.285 0.000 0.229 161 D C 0.978 176.926 176.300 -0.587 0.000 1.238 161 D CA -1.665 52.115 54.000 -0.367 0.000 0.824 161 D CB 0.551 41.072 40.800 -0.464 0.000 1.045 161 D HN -0.308 8.286 8.370 -0.047 -0.251 0.500 162 G N 0.478 109.152 108.800 -0.210 0.000 2.855 162 G HA2 -0.487 3.445 3.960 -0.047 0.000 0.231 162 G HA3 -0.487 3.444 3.960 -0.050 0.000 0.231 162 G C -1.670 173.331 174.900 0.169 0.000 1.242 162 G CA 1.403 46.463 45.100 -0.065 0.000 0.789 162 G HN 0.498 8.668 8.290 -0.087 0.068 0.517 163 Y N -2.403 118.069 120.300 0.288 0.000 2.598 163 Y HA 0.756 5.696 4.550 0.520 -0.078 0.340 163 Y C -1.712 174.346 175.900 0.263 0.000 1.038 163 Y CA -2.861 55.440 58.100 0.336 0.000 1.100 163 Y CB 2.709 41.280 38.460 0.185 0.000 1.281 163 Y HN -0.285 7.177 8.280 -1.165 0.119 0.488 164 I N -7.175 113.644 120.570 0.414 0.000 2.957 164 I HA 0.637 5.134 4.170 0.226 -0.191 0.310 164 I C -0.799 175.625 176.117 0.512 0.000 1.063 164 I CA -2.503 58.969 61.300 0.288 0.000 1.033 164 I CB 3.845 41.887 38.000 0.070 0.000 1.230 164 I HN -0.230 8.240 8.210 0.433 0.000 0.447 165 T N -3.021 111.826 114.554 0.489 0.000 2.950 165 T HA 0.649 5.672 4.350 0.858 -0.158 0.288 165 T C 1.078 176.000 174.700 0.369 0.000 1.035 165 T CA -2.805 59.640 62.100 0.575 0.000 1.028 165 T CB 3.694 72.823 68.868 0.433 0.000 1.109 165 T HN -0.612 8.096 8.240 0.332 -0.269 0.514 166 L N 1.476 122.489 121.223 -0.350 0.000 2.089 166 L HA -0.386 3.630 4.340 -0.540 0.000 0.213 166 L C 0.969 177.844 176.870 0.008 0.000 1.079 166 L CA 4.216 58.714 54.840 -0.570 0.000 0.758 166 L CB -0.112 41.430 42.059 -0.861 0.000 0.891 166 L HN 0.748 8.615 8.230 -0.604 0.000 0.433 167 D N -2.716 117.691 120.400 0.012 0.000 2.088 167 D HA -0.414 4.242 4.640 0.026 0.000 0.191 167 D C 1.758 178.111 176.300 0.089 0.000 0.992 167 D CA 3.902 57.932 54.000 0.049 0.000 0.831 167 D CB -0.125 40.703 40.800 0.047 0.000 0.973 167 D HN -0.378 7.971 8.370 -0.016 0.012 0.447 168 E N -1.075 119.197 120.200 0.120 0.000 2.150 168 E HA -0.369 4.006 4.350 0.041 0.000 0.193 168 E C 2.191 178.856 176.600 0.108 0.000 0.985 168 E CA 2.217 58.671 56.400 0.090 0.000 0.814 168 E CB -0.378 29.371 29.700 0.082 0.000 0.752 168 E HN -0.842 7.601 8.360 0.138 0.000 0.466 169 F N 3.031 123.040 119.950 0.099 0.000 2.095 169 F HA -0.434 4.110 4.527 0.028 0.000 0.298 169 F C 1.500 177.343 175.800 0.072 0.000 1.104 169 F CA 3.739 61.808 58.000 0.115 0.000 1.232 169 F CB 0.228 39.447 39.000 0.365 0.000 0.987 169 F HN 0.468 8.828 8.300 0.409 0.185 0.475 170 R N -2.063 118.490 120.500 0.088 0.000 2.080 170 R HA -0.525 3.752 4.340 -0.104 0.000 0.236 170 R C 1.927 178.146 176.300 -0.134 0.000 1.137 170 R CA 3.883 59.957 56.100 -0.043 0.000 0.943 170 R CB -0.472 29.866 30.300 0.063 0.000 0.846 170 R HN 0.212 8.654 8.270 0.286 0.000 0.431 171 E N -0.586 119.570 120.200 -0.074 0.000 2.021 171 E HA -0.377 3.935 4.350 -0.063 0.000 0.200 171 E C 2.452 178.976 176.600 -0.127 0.000 1.015 171 E CA 2.711 59.065 56.400 -0.077 0.000 0.824 171 E CB -0.365 29.309 29.700 -0.042 0.000 0.762 171 E HN -0.662 7.684 8.360 -0.022 0.000 0.454 172 G N -2.873 105.836 108.800 -0.152 0.000 2.550 172 G HA2 -0.312 3.572 3.960 -0.127 0.000 0.222 172 G HA3 -0.312 3.527 3.960 -0.201 0.000 0.222 172 G C 0.570 175.332 174.900 -0.230 0.000 1.113 172 G CA 1.962 46.954 45.100 -0.180 0.000 0.748 172 G HN 0.026 8.243 8.290 -0.122 0.000 0.585 173 S N 0.086 115.588 115.700 -0.330 0.000 2.336 173 S HA -0.241 4.061 4.470 -0.281 0.000 0.216 173 S C 1.822 176.326 174.600 -0.159 0.000 1.032 173 S CA 2.434 60.452 58.200 -0.304 0.000 0.973 173 S CB 0.073 63.011 63.200 -0.436 0.000 0.888 173 S HN -0.864 7.075 8.310 -0.381 0.142 0.455 174 K N 1.121 121.444 120.400 -0.128 0.000 2.520 174 K HA -0.226 4.059 4.320 -0.058 0.000 0.197 174 K C 1.555 178.118 176.600 -0.063 0.000 1.044 174 K CA 2.554 58.797 56.287 -0.073 0.000 0.938 174 K CB -0.292 32.175 32.500 -0.054 0.000 0.767 174 K HN 0.026 8.186 8.250 -0.149 0.000 0.481 175 V N -0.835 119.032 119.914 -0.078 0.000 3.406 175 V HA -0.173 3.919 4.120 -0.047 0.000 0.263 175 V C 1.102 177.164 176.094 -0.052 0.000 1.172 175 V CA 1.700 63.964 62.300 -0.060 0.000 1.140 175 V CB 0.123 31.907 31.823 -0.066 0.000 0.784 175 V HN -0.491 7.426 8.190 -0.105 0.210 0.467 176 D N 1.846 122.210 120.400 -0.060 0.000 2.092 176 D HA -0.145 4.470 4.640 -0.042 0.000 0.193 176 D C -0.893 175.390 176.300 -0.028 0.000 0.994 176 D CA 2.666 56.640 54.000 -0.044 0.000 0.828 176 D CB -1.174 39.600 40.800 -0.044 0.000 0.963 176 D HN 0.168 8.320 8.370 -0.077 0.172 0.450 177 P HA 0.000 4.412 4.420 -0.013 0.000 0.216 177 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 177 P CB 0.000 31.690 31.700 -0.016 0.000 0.726