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 1i1x_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAQSVDQLIK ARGKVYFGVA TDQNRLTTGK NAAIIQANFG QVTPENSMKW DATA SEQUENCE DATEPSQGNF NFAGADYLVN WAQQNGKLIR GHTLVWHSQL PSWVSSITDK DATA SEQUENCE NTLTNVMKNH ITTLMTRYKG KIRAWDVVNE AFNEDGSLRQ TVFLNVIGED DATA SEQUENCE YIPIAFQTAR AADPNAKLYI NDYNLDSASY PKTQAIVNRV KKWRAAGVPI DATA SEQUENCE DGIGSQTHLS AGQGASVLQA LPLLASAGTP EVAITELDVA GASSTDYVNV DATA SEQUENCE VNAcLNVSSc VGITVWGVAD PDSWRASTTP LLFDGNFNPK PAYNAIVQNL DATA SEQUENCE Q 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 2 A HA 0.000 4.290 4.320 -0.051 0.000 0.244 2 A C 0.000 177.578 177.584 -0.010 0.000 1.274 2 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 2 A CB 0.000 18.802 19.000 -0.330 0.000 0.831 3 A N -0.619 122.205 122.820 0.006 0.000 1.902 3 A HA -0.134 4.189 4.320 0.006 0.000 0.217 3 A C 0.156 177.755 177.584 0.026 0.000 1.181 3 A CA 1.509 53.554 52.037 0.014 0.000 0.623 3 A CB 0.215 19.221 19.000 0.011 0.000 0.818 3 A HN 0.131 8.282 8.150 0.001 0.000 0.443 4 Q N -1.930 117.905 119.800 0.058 0.000 2.257 4 Q HA 0.143 4.498 4.340 0.024 0.000 0.255 4 Q C -1.004 175.042 176.000 0.076 0.000 0.920 4 Q CA -0.658 55.176 55.803 0.052 0.000 0.927 4 Q CB 1.691 30.453 28.738 0.041 0.000 1.229 4 Q HN -0.139 8.177 8.270 0.077 0.000 0.433 5 S N 3.097 118.801 115.700 0.007 0.000 2.430 5 S HA 0.278 4.726 4.470 -0.037 0.000 0.289 5 S C 1.373 175.902 174.600 -0.117 0.000 1.143 5 S CA -1.784 56.390 58.200 -0.044 0.000 1.067 5 S CB 0.452 63.630 63.200 -0.037 0.000 0.964 5 S HN 0.500 8.809 8.310 -0.002 0.000 0.485 6 V N 4.731 124.480 119.914 -0.276 0.000 2.626 6 V HA -0.381 3.557 4.120 -0.303 0.000 0.252 6 V C 0.924 176.949 176.094 -0.115 0.000 1.067 6 V CA 3.143 65.210 62.300 -0.388 0.000 1.081 6 V CB -0.096 31.162 31.823 -0.941 0.000 0.686 6 V HN -0.240 7.777 8.190 -0.288 0.000 0.468 7 D N -0.554 119.815 120.400 -0.052 0.000 2.097 7 D HA -0.310 4.504 4.640 0.290 0.000 0.197 7 D C 1.968 178.329 176.300 0.101 0.000 0.984 7 D CA 3.734 57.824 54.000 0.149 0.000 0.826 7 D CB 0.230 41.139 40.800 0.180 0.000 0.973 7 D HN -0.530 7.725 8.370 -0.158 0.020 0.460 8 Q N -0.752 119.073 119.800 0.041 0.000 2.084 8 Q HA -0.321 4.047 4.340 0.047 0.000 0.202 8 Q C 2.892 178.911 176.000 0.032 0.000 0.978 8 Q CA 3.083 58.907 55.803 0.035 0.000 0.844 8 Q CB 0.226 28.972 28.738 0.014 0.000 0.898 8 Q HN -0.585 7.693 8.270 0.014 0.000 0.426 9 L N -1.569 119.663 121.223 0.016 0.000 2.093 9 L HA -0.315 4.031 4.340 0.010 0.000 0.208 9 L C 2.326 179.223 176.870 0.045 0.000 1.085 9 L CA 2.837 57.685 54.840 0.014 0.000 0.755 9 L CB -0.149 41.898 42.059 -0.020 0.000 0.904 9 L HN -0.452 7.767 8.230 -0.002 0.010 0.435 10 I N -0.873 119.754 120.570 0.094 0.000 2.439 10 I HA -0.487 3.729 4.170 0.077 0.000 0.251 10 I C 1.278 177.429 176.117 0.057 0.000 1.139 10 I CA 3.198 64.558 61.300 0.101 0.000 1.438 10 I CB -0.222 37.892 38.000 0.190 0.000 1.085 10 I HN -0.309 7.970 8.210 0.114 0.000 0.427 11 K N -0.138 120.302 120.400 0.066 0.000 2.147 11 K HA -0.208 4.365 4.320 0.042 -0.228 0.205 11 K C 2.903 179.522 176.600 0.031 0.000 1.049 11 K CA 3.166 59.482 56.287 0.049 0.000 0.936 11 K CB -0.232 32.304 32.500 0.061 0.000 0.722 11 K HN -0.327 7.973 8.250 0.083 0.000 0.446 12 A N -0.701 122.136 122.820 0.028 0.000 2.067 12 A HA -0.105 4.225 4.320 0.017 0.000 0.219 12 A C 0.964 178.557 177.584 0.014 0.000 1.158 12 A CA 2.481 54.529 52.037 0.018 0.000 0.661 12 A CB -0.587 18.422 19.000 0.015 0.000 0.801 12 A HN -0.374 7.780 8.150 0.033 0.016 0.452 13 R N -3.928 116.581 120.500 0.015 0.000 2.317 13 R HA 0.059 4.403 4.340 0.006 0.000 0.208 13 R C 0.714 177.015 176.300 0.002 0.000 0.914 13 R CA -1.236 54.869 56.100 0.008 0.000 1.060 13 R CB -0.201 30.104 30.300 0.009 0.000 1.015 13 R HN -0.720 7.413 8.270 0.021 0.149 0.498 14 G N -1.127 107.675 108.800 0.004 0.000 2.159 14 G HA2 -0.318 3.645 3.960 0.005 0.000 0.227 14 G HA3 -0.318 3.640 3.960 -0.002 0.000 0.227 14 G C -0.141 174.754 174.900 -0.009 0.000 0.986 14 G CA -0.002 45.099 45.100 0.000 0.000 0.651 14 G HN -0.232 7.876 8.290 0.010 0.188 0.523 15 K N -1.340 119.049 120.400 -0.017 0.000 2.177 15 K HA 0.368 4.653 4.320 -0.059 0.000 0.238 15 K C -0.037 176.544 176.600 -0.031 0.000 1.015 15 K CA -2.403 53.852 56.287 -0.054 0.000 0.922 15 K CB 1.381 33.820 32.500 -0.102 0.000 1.127 15 K HN -0.622 7.623 8.250 -0.008 0.000 0.469 16 V N -0.660 119.210 119.914 -0.073 0.000 2.500 16 V HA -0.066 4.099 4.120 0.076 0.000 0.243 16 V C -0.393 175.784 176.094 0.140 0.000 1.039 16 V CA 1.973 64.300 62.300 0.045 0.000 1.053 16 V CB 1.153 33.051 31.823 0.125 0.000 0.695 16 V HN 0.196 8.291 8.190 -0.158 0.000 0.463 17 Y N -7.765 112.576 120.300 0.068 0.000 2.677 17 Y HA 0.322 5.135 4.550 0.143 -0.177 0.334 17 Y C -2.824 173.173 175.900 0.160 0.000 1.196 17 Y CA -2.015 56.158 58.100 0.121 0.000 1.059 17 Y CB 1.705 40.229 38.460 0.106 0.000 1.315 17 Y HN -0.869 7.159 8.280 -0.420 0.000 0.455 18 F N 1.298 121.446 119.950 0.329 0.000 2.499 18 F HA 0.742 5.654 4.527 0.332 -0.186 0.333 18 F C -1.267 174.867 175.800 0.557 0.000 1.138 18 F CA -1.891 56.334 58.000 0.375 0.000 0.945 18 F CB 3.997 43.148 39.000 0.252 0.000 1.181 18 F HN 0.212 9.175 8.300 0.568 -0.322 0.435 19 G N 4.140 113.430 108.800 0.817 0.000 3.105 19 G HA2 0.714 4.991 3.960 0.483 0.000 0.277 19 G HA3 0.714 5.141 3.960 0.286 -0.294 0.277 19 G C -3.528 171.437 174.900 0.109 0.000 1.375 19 G CA -1.718 43.642 45.100 0.434 0.000 0.962 19 G HN 0.634 9.381 8.290 0.761 0.000 0.541 20 V N -2.403 117.424 119.914 -0.146 0.000 3.087 20 V HA 0.924 5.147 4.120 -0.191 -0.218 0.306 20 V C -2.375 173.554 176.094 -0.275 0.000 1.187 20 V CA -2.203 59.913 62.300 -0.307 0.000 0.999 20 V CB 4.821 36.199 31.823 -0.742 0.000 1.049 20 V HN -0.205 7.928 8.190 -0.096 0.000 0.431 21 A N 5.082 127.666 122.820 -0.393 0.000 2.388 21 A HA 0.899 5.103 4.320 -0.546 -0.213 0.257 21 A C -1.089 176.204 177.584 -0.486 0.000 1.095 21 A CA -1.119 50.532 52.037 -0.643 0.000 0.791 21 A CB 1.273 19.385 19.000 -1.480 0.000 1.029 21 A HN 0.054 7.993 8.150 -0.351 0.000 0.489 22 T N 1.767 116.085 114.554 -0.394 0.000 2.661 22 T HA 0.247 4.416 4.350 -0.303 0.000 0.305 22 T C -2.180 172.379 174.700 -0.234 0.000 1.441 22 T CA -1.082 60.836 62.100 -0.304 0.000 0.999 22 T CB 1.487 70.176 68.868 -0.299 0.000 1.650 22 T HN 0.440 8.451 8.240 -0.381 0.000 0.489 23 D N -2.086 118.195 120.400 -0.199 0.000 2.769 23 D HA 0.259 4.841 4.640 -0.096 0.000 0.309 23 D C -0.928 175.283 176.300 -0.148 0.000 1.315 23 D CA -0.154 53.769 54.000 -0.128 0.000 0.780 23 D CB 2.533 43.281 40.800 -0.087 0.000 1.312 23 D HN -0.059 8.177 8.370 -0.222 0.000 0.437 24 Q N 0.880 120.599 119.800 -0.135 0.000 2.112 24 Q HA -0.470 3.651 4.340 -0.366 0.000 0.206 24 Q C 1.224 177.046 176.000 -0.296 0.000 0.987 24 Q CA 4.693 60.289 55.803 -0.345 0.000 0.858 24 Q CB 0.164 28.569 28.738 -0.555 0.000 0.905 24 Q HN 0.706 8.929 8.270 -0.079 0.000 0.420 25 N N -3.789 114.795 118.700 -0.193 0.000 2.223 25 N HA -0.251 4.398 4.740 -0.152 0.000 0.185 25 N C 1.753 177.187 175.510 -0.126 0.000 1.016 25 N CA 2.765 55.730 53.050 -0.142 0.000 0.863 25 N CB -1.006 37.428 38.487 -0.089 0.000 0.983 25 N HN 0.260 8.527 8.380 -0.163 0.016 0.429 26 R N -0.206 120.209 120.500 -0.141 0.000 2.066 26 R HA -0.103 4.183 4.340 -0.089 0.000 0.224 26 R C 2.376 178.572 176.300 -0.174 0.000 1.122 26 R CA 1.413 57.434 56.100 -0.133 0.000 0.974 26 R CB -0.498 29.715 30.300 -0.145 0.000 0.871 26 R HN -0.642 7.516 8.270 -0.153 0.020 0.435 27 L N -2.409 118.668 121.223 -0.243 0.000 2.275 27 L HA -0.164 3.969 4.340 -0.344 0.000 0.215 27 L C 1.186 177.947 176.870 -0.182 0.000 1.119 27 L CA 2.309 56.964 54.840 -0.307 0.000 0.790 27 L CB -0.217 41.563 42.059 -0.466 0.000 0.919 27 L HN -0.212 7.871 8.230 -0.246 0.000 0.443 28 T N -8.775 105.687 114.554 -0.152 0.000 3.105 28 T HA 0.068 4.380 4.350 -0.063 0.000 0.253 28 T C 0.047 174.696 174.700 -0.085 0.000 1.047 28 T CA -0.238 61.801 62.100 -0.101 0.000 0.944 28 T CB 0.405 69.194 68.868 -0.131 0.000 1.016 28 T HN -0.632 7.453 8.240 -0.176 0.048 0.544 29 T N 1.444 115.940 114.554 -0.095 0.000 2.883 29 T HA 0.136 4.446 4.350 -0.067 0.000 0.301 29 T C -0.744 173.888 174.700 -0.112 0.000 1.158 29 T CA -0.981 61.075 62.100 -0.073 0.000 1.007 29 T CB 1.043 69.889 68.868 -0.037 0.000 1.186 29 T HN -0.582 7.526 8.240 -0.113 0.064 0.499 30 G N 3.958 112.688 108.800 -0.116 0.000 2.574 30 G HA2 -0.294 3.540 3.960 -0.211 0.000 0.282 30 G HA3 -0.294 3.496 3.960 -0.285 0.000 0.282 30 G C -0.892 173.707 174.900 -0.503 0.000 1.257 30 G CA 0.799 45.728 45.100 -0.285 0.000 0.956 30 G HN 0.116 8.362 8.290 -0.072 0.000 0.560 31 K N 1.872 121.635 120.400 -1.061 0.000 2.399 31 K HA 0.189 4.221 4.320 -0.478 0.000 0.204 31 K C 0.748 177.008 176.600 -0.566 0.000 1.023 31 K CA -0.367 55.452 56.287 -0.780 0.000 1.127 31 K CB 0.243 32.240 32.500 -0.837 0.000 0.856 31 K HN 0.076 7.205 8.250 -1.868 0.000 0.514 32 N N 1.199 119.622 118.700 -0.462 0.000 2.069 32 N HA -0.366 4.249 4.740 -0.209 0.000 0.191 32 N C 1.339 176.738 175.510 -0.184 0.000 1.031 32 N CA 3.865 56.770 53.050 -0.242 0.000 0.852 32 N CB -0.402 37.990 38.487 -0.159 0.000 1.018 32 N HN -0.765 7.250 8.380 -0.492 0.069 0.423 33 A N -0.747 121.976 122.820 -0.161 0.000 1.883 33 A HA -0.277 3.986 4.320 -0.095 0.000 0.217 33 A C 1.475 179.117 177.584 0.098 0.000 1.186 33 A CA 3.343 55.365 52.037 -0.024 0.000 0.624 33 A CB -0.896 18.135 19.000 0.051 0.000 0.822 33 A HN 0.358 8.398 8.150 -0.184 0.000 0.444 34 A N -1.908 120.910 122.820 -0.003 0.000 1.933 34 A HA -0.219 4.328 4.320 0.049 -0.198 0.218 34 A C 2.250 179.828 177.584 -0.011 0.000 1.175 34 A CA 2.474 54.511 52.037 0.000 0.000 0.628 34 A CB -0.598 18.368 19.000 -0.057 0.000 0.814 34 A HN -0.160 7.951 8.150 -0.066 0.000 0.444 35 I N -1.020 119.500 120.570 -0.084 0.000 2.179 35 I HA -0.516 3.586 4.170 -0.113 0.000 0.242 35 I C 2.079 178.251 176.117 0.092 0.000 1.088 35 I CA 4.443 65.679 61.300 -0.107 0.000 1.357 35 I CB 0.058 37.846 38.000 -0.352 0.000 1.051 35 I HN -0.535 7.593 8.210 -0.136 0.000 0.409 36 I N -0.811 119.853 120.570 0.157 0.000 2.226 36 I HA -0.640 3.845 4.170 0.526 0.000 0.245 36 I C 2.225 178.533 176.117 0.318 0.000 1.100 36 I CA 4.151 65.648 61.300 0.329 0.000 1.374 36 I CB -0.500 37.632 38.000 0.219 0.000 1.057 36 I HN -0.364 7.888 8.210 0.069 0.000 0.413 37 Q N -0.788 119.175 119.800 0.272 0.000 2.045 37 Q HA -0.473 3.942 4.340 0.124 0.000 0.206 37 Q C 2.981 179.030 176.000 0.082 0.000 0.991 37 Q CA 3.425 59.316 55.803 0.148 0.000 0.851 37 Q CB -0.279 28.519 28.738 0.100 0.000 0.911 37 Q HN -0.040 8.404 8.270 0.290 0.000 0.418 38 A N -2.349 120.505 122.820 0.057 0.000 1.930 38 A HA -0.154 4.172 4.320 0.010 0.000 0.215 38 A C 1.033 178.610 177.584 -0.012 0.000 1.176 38 A CA 2.422 54.467 52.037 0.013 0.000 0.632 38 A CB -0.244 18.753 19.000 -0.004 0.000 0.819 38 A HN -0.288 7.900 8.150 0.063 0.000 0.445 39 N N -6.218 112.453 118.700 -0.048 0.000 2.273 39 N HA 0.207 4.849 4.740 -0.165 0.000 0.192 39 N C -0.873 174.352 175.510 -0.474 0.000 1.132 39 N CA 0.916 53.810 53.050 -0.259 0.000 0.887 39 N CB 3.098 41.355 38.487 -0.384 0.000 1.048 39 N HN -0.484 7.905 8.380 0.016 0.000 0.490 40 F N -2.630 117.396 119.950 0.125 0.000 2.579 40 F HA 0.494 5.227 4.527 0.180 -0.098 0.324 40 F C -0.650 175.239 175.800 0.149 0.000 1.058 40 F CA -1.034 57.061 58.000 0.158 0.000 0.944 40 F CB 3.756 42.852 39.000 0.160 0.000 1.245 40 F HN -0.567 7.822 8.300 0.150 0.000 0.477 41 G N -3.124 105.908 108.800 0.387 0.000 3.274 41 G HA2 0.184 4.259 3.960 0.191 0.000 0.250 41 G HA3 0.184 4.622 3.960 0.255 -0.325 0.250 41 G C -2.364 172.642 174.900 0.176 0.000 1.024 41 G CA -0.306 44.944 45.100 0.250 0.000 0.840 41 G HN 0.568 9.157 8.290 0.498 0.000 0.522 42 Q N -0.760 119.137 119.800 0.162 0.000 2.426 42 Q HA 0.790 5.287 4.340 -0.070 -0.198 0.278 42 Q C -2.284 173.702 176.000 -0.024 0.000 1.007 42 Q CA -0.764 55.017 55.803 -0.038 0.000 0.850 42 Q CB 3.772 32.319 28.738 -0.319 0.000 1.427 42 Q HN -0.647 7.773 8.270 0.250 0.000 0.391 43 V N -0.555 119.303 119.914 -0.093 0.000 2.876 43 V HA 1.097 5.395 4.120 -0.116 -0.248 0.312 43 V C -1.563 174.431 176.094 -0.167 0.000 1.085 43 V CA -2.960 59.276 62.300 -0.107 0.000 0.945 43 V CB 3.192 34.990 31.823 -0.043 0.000 1.017 43 V HN 0.773 8.888 8.190 -0.126 0.000 0.428 44 T N 5.965 120.409 114.554 -0.182 0.000 2.792 44 T HA 0.782 5.204 4.350 -0.165 -0.171 0.280 44 T C -2.083 172.504 174.700 -0.188 0.000 0.990 44 T CA -2.910 59.089 62.100 -0.168 0.000 0.960 44 T CB 1.874 70.682 68.868 -0.099 0.000 0.939 44 T HN 0.002 8.122 8.240 -0.201 0.000 0.439 45 P HA 0.234 4.781 4.420 -0.108 -0.192 0.271 45 P C -0.921 176.365 177.300 -0.024 0.000 1.226 45 P CA -0.309 62.752 63.100 -0.066 0.000 0.765 45 P CB 0.442 32.145 31.700 0.005 0.000 0.835 46 E N 3.223 123.342 120.200 -0.135 0.000 2.106 46 E HA -0.406 3.812 4.350 -0.220 0.000 0.192 46 E C 0.317 177.024 176.600 0.178 0.000 0.984 46 E CA 2.577 58.913 56.400 -0.108 0.000 0.806 46 E CB 0.632 30.198 29.700 -0.224 0.000 0.750 46 E HN 0.276 8.532 8.360 -0.173 0.000 0.458 47 N N -5.394 113.391 118.700 0.142 0.000 2.066 47 N HA 0.142 5.041 4.740 0.264 0.000 0.232 47 N C 1.491 177.110 175.510 0.182 0.000 1.316 47 N CA 0.838 54.005 53.050 0.194 0.000 0.847 47 N CB 2.733 41.309 38.487 0.149 0.000 1.165 47 N HN -0.052 8.685 8.380 0.080 -0.309 0.471 48 S N 1.758 117.542 115.700 0.139 0.000 2.515 48 S HA -0.159 4.397 4.470 0.144 0.000 0.231 48 S C 0.983 175.703 174.600 0.201 0.000 0.987 48 S CA 2.879 61.168 58.200 0.148 0.000 0.936 48 S CB 0.152 63.420 63.200 0.113 0.000 0.766 48 S HN -0.277 8.312 8.310 0.108 -0.214 0.528 49 M N -0.751 118.984 119.600 0.224 0.000 2.333 49 M HA 0.070 4.740 4.480 0.316 0.000 0.257 49 M C -0.995 175.497 176.300 0.321 0.000 1.078 49 M CA 0.025 55.499 55.300 0.289 0.000 1.005 49 M CB 0.524 33.295 32.600 0.284 0.000 1.444 49 M HN -0.287 8.080 8.290 0.211 0.049 0.496 50 K N -0.475 120.106 120.400 0.301 0.000 2.138 50 K HA -0.003 4.528 4.320 0.352 0.000 0.251 50 K C 0.632 177.471 176.600 0.397 0.000 1.015 50 K CA -0.462 56.034 56.287 0.348 0.000 0.917 50 K CB 0.994 33.706 32.500 0.354 0.000 1.021 50 K HN -0.915 7.501 8.250 0.277 0.000 0.485 51 W N 2.186 123.607 121.300 0.202 0.000 2.358 51 W HA -0.154 4.667 4.660 0.269 0.000 0.303 51 W C 1.733 178.305 176.519 0.089 0.000 1.208 51 W CA 2.251 59.662 57.345 0.110 0.000 1.274 51 W CB 0.082 29.452 29.460 -0.150 0.000 1.138 51 W HN 0.692 9.188 8.180 0.527 0.000 0.515 52 D N -2.839 117.765 120.400 0.339 0.000 2.178 52 D HA -0.307 4.459 4.640 0.209 0.000 0.201 52 D C 0.638 177.056 176.300 0.197 0.000 0.980 52 D CA 2.664 56.789 54.000 0.208 0.000 0.842 52 D CB -1.390 39.468 40.800 0.097 0.000 0.948 52 D HN -0.503 8.049 8.370 0.303 0.000 0.472 53 A N -2.014 120.928 122.820 0.203 0.000 1.930 53 A HA -0.038 4.359 4.320 0.127 0.000 0.215 53 A C 1.167 178.834 177.584 0.137 0.000 1.176 53 A CA 2.183 54.315 52.037 0.158 0.000 0.632 53 A CB 0.420 19.521 19.000 0.167 0.000 0.819 53 A HN -0.626 7.643 8.150 0.234 0.022 0.445 54 T N -7.282 107.379 114.554 0.178 0.000 3.044 54 T HA 0.126 4.703 4.350 0.002 -0.226 0.255 54 T C 0.497 175.187 174.700 -0.018 0.000 1.073 54 T CA 0.539 62.692 62.100 0.089 0.000 1.125 54 T CB 2.022 71.002 68.868 0.186 0.000 0.908 54 T HN -0.677 7.710 8.240 0.244 0.000 0.480 55 E N 1.390 121.642 120.200 0.088 0.000 3.626 55 E HA 0.691 4.823 4.350 -0.364 0.000 0.245 55 E C -2.160 174.631 176.600 0.318 0.000 1.236 55 E CA -3.596 52.765 56.400 -0.064 0.000 1.072 55 E CB 1.664 31.243 29.700 -0.200 0.000 1.309 55 E HN -0.314 8.194 8.360 0.247 0.000 0.400 56 P HA -0.018 4.597 4.420 0.326 0.000 0.223 56 P C -0.727 176.741 177.300 0.280 0.000 1.151 56 P CA 1.026 64.279 63.100 0.255 0.000 0.787 56 P CB 0.439 32.207 31.700 0.114 0.000 0.788 57 S N -1.736 113.967 115.700 0.006 0.000 2.536 57 S HA 0.290 4.446 4.470 -0.523 0.000 0.287 57 S C -1.746 172.432 174.600 -0.703 0.000 1.101 57 S CA -0.705 57.269 58.200 -0.376 0.000 0.950 57 S CB 2.691 65.751 63.200 -0.233 0.000 1.056 57 S HN -0.427 7.831 8.310 -0.037 0.031 0.481 58 Q N 4.714 123.636 119.800 -1.463 0.000 2.269 58 Q HA -0.555 3.040 4.340 -1.459 -0.131 0.300 58 Q C 1.753 177.415 176.000 -0.563 0.000 1.070 58 Q CA 2.056 57.055 55.803 -1.340 0.000 0.957 58 Q CB -0.086 27.835 28.738 -1.363 0.000 1.131 58 Q HN 0.453 7.681 8.270 -1.736 0.000 0.377 59 G N 7.317 115.897 108.800 -0.366 0.000 2.189 59 G HA2 -0.507 3.534 3.960 0.136 0.000 0.267 59 G HA3 -0.507 3.427 3.960 -0.043 0.000 0.267 59 G C -0.746 174.124 174.900 -0.049 0.000 0.975 59 G CA 0.270 45.318 45.100 -0.086 0.000 0.644 59 G HN 0.682 9.094 8.290 -0.387 -0.355 0.537 60 N N 1.863 120.419 118.700 -0.240 0.000 2.898 60 N HA 0.189 4.925 4.740 -0.007 0.000 0.245 60 N C -1.411 173.986 175.510 -0.189 0.000 1.185 60 N CA -0.970 52.006 53.050 -0.123 0.000 0.879 60 N CB 0.431 38.840 38.487 -0.130 0.000 1.157 60 N HN -0.362 7.709 8.380 -0.385 0.077 0.503 61 F N 1.198 121.072 119.950 -0.127 0.000 2.389 61 F HA 0.198 4.764 4.527 -0.282 -0.208 0.337 61 F C 0.872 176.436 175.800 -0.394 0.000 1.112 61 F CA 0.235 58.033 58.000 -0.338 0.000 1.192 61 F CB 1.159 39.845 39.000 -0.524 0.000 1.185 61 F HN -0.218 8.246 8.300 0.273 0.000 0.552 62 N N 2.553 121.053 118.700 -0.334 0.000 2.491 62 N HA 0.206 4.887 4.740 -0.097 0.000 0.274 62 N C -1.102 174.268 175.510 -0.232 0.000 1.023 62 N CA -0.836 52.103 53.050 -0.185 0.000 0.902 62 N CB 0.998 39.457 38.487 -0.047 0.000 1.267 62 N HN 0.274 8.327 8.380 -0.368 0.106 0.503 63 F N 3.960 124.019 119.950 0.181 0.000 2.661 63 F HA 0.187 4.856 4.527 0.237 0.000 0.306 63 F C 0.265 176.179 175.800 0.189 0.000 1.094 63 F CA -1.083 57.039 58.000 0.203 0.000 1.254 63 F CB -0.252 38.854 39.000 0.176 0.000 1.040 63 F HN 0.439 8.824 8.300 0.142 0.000 0.562 64 A N 1.832 124.815 122.820 0.273 0.000 1.865 64 A HA -0.341 4.120 4.320 0.235 0.000 0.217 64 A C 1.600 179.316 177.584 0.221 0.000 1.191 64 A CA 3.713 55.881 52.037 0.219 0.000 0.623 64 A CB -0.768 18.316 19.000 0.141 0.000 0.826 64 A HN -0.457 8.072 8.150 0.211 -0.253 0.444 65 G N -3.514 105.395 108.800 0.183 0.000 2.402 65 G HA2 -0.351 3.685 3.960 0.127 0.000 0.216 65 G HA3 -0.351 3.679 3.960 0.117 0.000 0.216 65 G C 0.710 175.734 174.900 0.207 0.000 1.162 65 G CA 1.520 46.713 45.100 0.156 0.000 0.777 65 G HN 0.430 8.821 8.290 0.168 0.000 0.539 66 A N 2.335 125.300 122.820 0.242 0.000 1.902 66 A HA -0.219 4.172 4.320 0.118 0.000 0.217 66 A C 1.610 179.297 177.584 0.172 0.000 1.181 66 A CA 2.384 54.545 52.037 0.205 0.000 0.623 66 A CB -0.629 18.575 19.000 0.340 0.000 0.818 66 A HN 0.076 8.389 8.150 0.272 0.000 0.443 67 D N -1.115 119.472 120.400 0.312 0.000 2.117 67 D HA -0.272 4.548 4.640 0.299 0.000 0.197 67 D C 1.900 178.313 176.300 0.188 0.000 0.987 67 D CA 3.513 57.679 54.000 0.276 0.000 0.829 67 D CB -0.477 40.491 40.800 0.281 0.000 0.961 67 D HN -0.152 8.442 8.370 0.373 0.000 0.460 68 Y N 1.075 121.439 120.300 0.106 0.000 2.128 68 Y HA -0.409 4.203 4.550 0.103 0.000 0.284 68 Y C 1.584 177.539 175.900 0.091 0.000 1.154 68 Y CA 3.651 61.804 58.100 0.089 0.000 1.149 68 Y CB 0.209 38.703 38.460 0.056 0.000 0.976 68 Y HN -0.702 7.786 8.280 0.346 0.000 0.505 69 L N -1.542 119.790 121.223 0.182 0.000 2.027 69 L HA -0.297 4.103 4.340 0.099 0.000 0.206 69 L C 1.730 178.606 176.870 0.009 0.000 1.074 69 L CA 3.170 58.059 54.840 0.081 0.000 0.745 69 L CB -0.316 41.769 42.059 0.043 0.000 0.898 69 L HN -0.603 7.775 8.230 0.247 0.000 0.433 70 V N -0.778 119.094 119.914 -0.071 0.000 2.295 70 V HA -0.569 3.470 4.120 -0.134 0.000 0.246 70 V C 2.006 178.070 176.094 -0.050 0.000 1.049 70 V CA 4.345 66.572 62.300 -0.121 0.000 1.024 70 V CB -0.990 30.674 31.823 -0.264 0.000 0.648 70 V HN -0.044 8.103 8.190 -0.071 0.000 0.447 71 N N -0.162 118.516 118.700 -0.037 0.000 2.142 71 N HA -0.257 4.454 4.740 -0.048 0.000 0.186 71 N C 2.143 177.598 175.510 -0.091 0.000 1.023 71 N CA 2.882 55.897 53.050 -0.058 0.000 0.852 71 N CB -0.349 38.106 38.487 -0.053 0.000 0.998 71 N HN -0.260 8.104 8.380 -0.026 0.000 0.424 72 W N 1.894 123.008 121.300 -0.310 0.000 2.335 72 W HA -0.288 4.200 4.660 -0.285 0.000 0.311 72 W C 1.096 177.512 176.519 -0.172 0.000 1.213 72 W CA 4.255 61.422 57.345 -0.297 0.000 1.274 72 W CB 0.023 29.235 29.460 -0.412 0.000 1.148 72 W HN -0.053 8.093 8.180 -0.056 0.000 0.498 73 A N -2.736 120.159 122.820 0.125 0.000 1.902 73 A HA -0.502 3.823 4.320 0.008 0.000 0.217 73 A C 2.345 179.837 177.584 -0.153 0.000 1.181 73 A CA 3.328 55.371 52.037 0.010 0.000 0.623 73 A CB -0.756 18.280 19.000 0.060 0.000 0.818 73 A HN -0.030 8.236 8.150 0.193 0.000 0.443 74 Q N -2.258 117.466 119.800 -0.127 0.000 2.084 74 Q HA -0.362 3.914 4.340 -0.107 0.000 0.202 74 Q C 3.517 179.411 176.000 -0.176 0.000 0.978 74 Q CA 3.263 58.991 55.803 -0.124 0.000 0.844 74 Q CB -0.204 28.484 28.738 -0.083 0.000 0.898 74 Q HN -0.220 7.993 8.270 -0.095 0.000 0.426 75 Q N -0.457 119.200 119.800 -0.240 0.000 2.170 75 Q HA -0.258 3.963 4.340 -0.198 0.000 0.203 75 Q C 1.650 177.447 176.000 -0.338 0.000 0.976 75 Q CA 2.639 58.279 55.803 -0.272 0.000 0.858 75 Q CB -0.064 28.487 28.738 -0.312 0.000 0.907 75 Q HN -0.268 7.859 8.270 -0.239 0.000 0.433 76 N N -4.207 114.203 118.700 -0.483 0.000 2.230 76 N HA 0.142 4.631 4.740 -0.419 0.000 0.202 76 N C -0.666 174.665 175.510 -0.298 0.000 1.119 76 N CA 0.168 52.910 53.050 -0.513 0.000 0.851 76 N CB 0.792 38.669 38.487 -1.017 0.000 0.990 76 N HN -0.658 7.273 8.380 -0.519 0.138 0.497 77 G N -0.647 108.027 108.800 -0.210 0.000 2.198 77 G HA2 -0.427 3.474 3.960 -0.099 0.000 0.260 77 G HA3 -0.427 3.474 3.960 -0.098 0.000 0.260 77 G C -0.394 174.461 174.900 -0.074 0.000 1.025 77 G CA 0.792 45.823 45.100 -0.115 0.000 0.769 77 G HN -0.650 7.441 8.290 -0.224 0.065 0.507 78 K N -0.714 119.639 120.400 -0.080 0.000 2.159 78 K HA 0.243 4.699 4.320 0.009 -0.131 0.266 78 K C 0.103 176.679 176.600 -0.040 0.000 0.975 78 K CA -2.185 54.092 56.287 -0.016 0.000 0.865 78 K CB 1.140 33.671 32.500 0.052 0.000 1.087 78 K HN -0.382 7.793 8.250 -0.124 0.000 0.446 79 L N 2.398 123.590 121.223 -0.052 0.000 2.467 79 L HA -0.031 4.253 4.340 -0.092 0.000 0.270 79 L C -0.589 176.181 176.870 -0.167 0.000 1.205 79 L CA 0.433 55.206 54.840 -0.111 0.000 0.828 79 L CB 0.617 42.591 42.059 -0.142 0.000 1.101 79 L HN -0.255 7.959 8.230 -0.027 0.000 0.479 80 I N -1.664 118.786 120.570 -0.201 0.000 2.509 80 I HA 0.644 4.874 4.170 -0.233 -0.200 0.293 80 I C -0.984 174.936 176.117 -0.328 0.000 1.020 80 I CA -1.542 59.607 61.300 -0.252 0.000 1.088 80 I CB 2.840 40.689 38.000 -0.253 0.000 1.267 80 I HN 0.239 8.339 8.210 -0.183 0.000 0.430 81 R N 4.454 124.747 120.500 -0.345 0.000 2.295 81 R HA 0.702 4.976 4.340 -0.404 -0.177 0.324 81 R C 0.225 176.268 176.300 -0.430 0.000 0.968 81 R CA -1.847 54.029 56.100 -0.373 0.000 0.837 81 R CB 2.004 32.123 30.300 -0.301 0.000 1.133 81 R HN 0.055 8.140 8.270 -0.309 0.000 0.450 82 G N 2.603 110.947 108.800 -0.760 0.000 2.403 82 G HA2 -0.013 3.481 3.960 -0.777 0.000 0.259 82 G HA3 -0.013 2.618 3.960 -2.215 0.000 0.259 82 G C -2.729 172.057 174.900 -0.190 0.000 1.244 82 G CA -0.637 43.855 45.100 -1.014 0.000 0.849 82 G HN 0.350 8.107 8.290 -0.887 0.000 0.532 83 H N 3.851 122.890 119.070 -0.051 0.000 3.149 83 H HA 0.314 4.951 4.556 0.136 0.000 0.334 83 H C -2.267 173.184 175.328 0.205 0.000 1.000 83 H CA -0.041 56.070 56.048 0.104 0.000 1.415 83 H CB 2.339 32.137 29.762 0.060 0.000 1.819 83 H HN 0.140 8.449 8.280 0.049 0.000 0.486 84 T N 4.345 118.848 114.554 -0.085 0.000 2.916 84 T HA 0.363 4.884 4.350 0.088 -0.118 0.305 84 T C -0.771 174.014 174.700 0.143 0.000 1.119 84 T CA -2.865 59.177 62.100 -0.096 0.000 1.008 84 T CB 2.217 70.738 68.868 -0.579 0.000 1.129 84 T HN -0.355 7.893 8.240 0.013 0.000 0.480 85 L N 4.490 125.798 121.223 0.141 0.000 2.084 85 L HA 0.112 4.563 4.340 0.186 0.000 0.202 85 L C 0.203 177.187 176.870 0.190 0.000 1.074 85 L CA 1.587 56.500 54.840 0.122 0.000 0.757 85 L CB 0.993 43.006 42.059 -0.076 0.000 0.918 85 L HN -0.072 8.225 8.230 0.111 0.000 0.444 86 V N -2.815 117.165 119.914 0.110 0.000 2.350 86 V HA 0.160 4.354 4.120 0.123 0.000 0.285 86 V C -2.315 173.919 176.094 0.234 0.000 1.014 86 V CA -1.124 61.206 62.300 0.051 0.000 0.831 86 V CB 0.316 32.021 31.823 -0.198 0.000 1.000 86 V HN -0.477 7.745 8.190 0.054 0.000 0.433 87 W N 7.252 128.608 121.300 0.095 0.000 3.363 87 W HA 0.319 5.090 4.660 0.185 0.000 0.306 87 W C -1.043 175.569 176.519 0.155 0.000 1.253 87 W CA -0.640 56.781 57.345 0.126 0.000 1.195 87 W CB 2.829 32.304 29.460 0.025 0.000 1.366 87 W HN 0.173 8.589 8.180 0.393 0.000 0.551 88 H N 1.554 120.601 119.070 -0.038 0.000 2.535 88 H HA -0.080 4.380 4.556 -0.160 0.000 0.273 88 H C -0.933 174.050 175.328 -0.574 0.000 0.983 88 H CA -0.033 55.864 56.048 -0.251 0.000 1.238 88 H CB 0.057 29.734 29.762 -0.141 0.000 1.412 88 H HN 0.290 8.726 8.280 0.261 0.000 0.562 89 S N -0.131 114.544 115.700 -1.708 0.000 2.646 89 S HA 0.017 3.910 4.470 -0.962 0.000 0.276 89 S C -0.673 173.297 174.600 -1.050 0.000 1.222 89 S CA -0.254 57.039 58.200 -1.512 0.000 1.014 89 S CB 0.233 62.191 63.200 -2.069 0.000 0.991 89 S HN -0.344 6.452 8.310 -2.523 0.000 0.533 90 Q N -2.054 117.384 119.800 -0.604 0.000 2.453 90 Q HA -0.407 3.810 4.340 -0.205 0.000 0.294 90 Q C -2.073 173.805 176.000 -0.203 0.000 1.295 90 Q CA 0.573 56.214 55.803 -0.271 0.000 0.853 90 Q CB -1.614 27.078 28.738 -0.077 0.000 1.193 90 Q HN 0.328 8.265 8.270 -0.556 0.000 0.461 91 L N -2.093 118.924 121.223 -0.344 0.000 2.305 91 L HA 0.406 4.455 4.340 -0.485 0.000 0.284 91 L C -2.764 173.808 176.870 -0.496 0.000 1.013 91 L CA -3.489 51.062 54.840 -0.482 0.000 0.819 91 L CB 1.984 43.704 42.059 -0.565 0.000 1.227 91 L HN -0.292 7.697 8.230 -0.380 0.013 0.417 92 P HA 0.149 4.423 4.420 -0.243 0.000 0.272 92 P C 0.108 177.098 177.300 -0.516 0.000 1.223 92 P CA -0.699 62.150 63.100 -0.418 0.000 0.784 92 P CB 0.796 32.300 31.700 -0.325 0.000 0.923 93 S N 0.769 116.311 115.700 -0.263 0.000 2.419 93 S HA -0.108 4.198 4.470 -0.274 0.000 0.233 93 S C 1.836 176.328 174.600 -0.181 0.000 1.016 93 S CA 1.727 59.797 58.200 -0.217 0.000 0.974 93 S CB -0.190 62.947 63.200 -0.105 0.000 0.786 93 S HN 0.365 8.578 8.310 -0.161 0.000 0.492 94 W N 0.017 121.227 121.300 -0.149 0.000 2.392 94 W HA -0.117 4.478 4.660 -0.109 0.000 0.279 94 W C 1.053 177.474 176.519 -0.164 0.000 1.225 94 W CA 1.027 58.298 57.345 -0.125 0.000 1.233 94 W CB -1.613 27.799 29.460 -0.081 0.000 1.122 94 W HN -0.301 7.859 8.180 0.015 0.029 0.561 95 V N 1.243 120.600 119.914 -0.928 0.000 2.346 95 V HA -0.290 3.386 4.120 -0.740 0.000 0.244 95 V C 2.247 177.977 176.094 -0.605 0.000 1.037 95 V CA 3.012 64.740 62.300 -0.954 0.000 1.029 95 V CB -0.467 30.465 31.823 -1.485 0.000 0.663 95 V HN -0.580 6.862 8.190 -1.205 0.025 0.454 96 S N -2.223 113.133 115.700 -0.575 0.000 2.561 96 S HA -0.194 3.947 4.470 -0.549 0.000 0.225 96 S C 1.213 175.631 174.600 -0.304 0.000 0.977 96 S CA 2.089 60.008 58.200 -0.469 0.000 0.926 96 S CB -0.100 62.842 63.200 -0.431 0.000 0.769 96 S HN -0.591 7.358 8.310 -0.603 0.000 0.533 97 S N 0.564 116.133 115.700 -0.220 0.000 2.562 97 S HA -0.066 4.323 4.470 -0.136 0.000 0.221 97 S C 0.395 174.931 174.600 -0.107 0.000 0.975 97 S CA 0.869 58.989 58.200 -0.133 0.000 0.918 97 S CB 0.453 63.609 63.200 -0.074 0.000 0.772 97 S HN -0.538 7.595 8.310 -0.226 0.041 0.531 98 I N 3.936 124.429 120.570 -0.129 0.000 2.496 98 I HA -0.071 4.072 4.170 -0.044 0.000 0.285 98 I C -0.140 175.914 176.117 -0.105 0.000 1.080 98 I CA 1.003 62.253 61.300 -0.084 0.000 1.404 98 I CB 0.431 38.396 38.000 -0.057 0.000 1.403 98 I HN -0.743 7.302 8.210 -0.180 0.057 0.539 99 T N 0.881 115.395 114.554 -0.066 0.000 3.040 99 T HA 0.098 4.395 4.350 -0.088 0.000 0.266 99 T C -0.574 174.103 174.700 -0.038 0.000 1.005 99 T CA -1.066 60.995 62.100 -0.065 0.000 0.906 99 T CB 0.768 69.604 68.868 -0.054 0.000 1.082 99 T HN -0.075 8.138 8.240 -0.045 0.000 0.531 100 D N 2.175 122.563 120.400 -0.020 0.000 2.232 100 D HA 0.045 4.684 4.640 -0.001 0.000 0.242 100 D C 0.402 176.708 176.300 0.011 0.000 1.093 100 D CA -1.303 52.697 54.000 0.000 0.000 0.845 100 D CB 1.596 42.403 40.800 0.013 0.000 1.124 100 D HN -0.432 7.926 8.370 -0.020 0.000 0.467 101 K N 7.149 127.560 120.400 0.017 0.000 2.026 101 K HA -0.426 3.913 4.320 0.032 0.000 0.208 101 K C 0.885 177.517 176.600 0.053 0.000 1.048 101 K CA 4.088 60.396 56.287 0.034 0.000 0.929 101 K CB 0.191 32.713 32.500 0.036 0.000 0.713 101 K HN 0.610 8.868 8.250 0.014 0.000 0.439 102 N N -3.014 115.715 118.700 0.049 0.000 2.142 102 N HA -0.216 4.562 4.740 0.063 0.000 0.186 102 N C 1.974 177.527 175.510 0.072 0.000 1.023 102 N CA 2.906 55.990 53.050 0.058 0.000 0.852 102 N CB -0.524 37.991 38.487 0.047 0.000 0.998 102 N HN 0.094 8.560 8.380 0.040 -0.062 0.424 103 T N 3.928 118.521 114.554 0.066 0.000 2.652 103 T HA -0.409 3.995 4.350 0.089 0.000 0.267 103 T C 1.750 176.519 174.700 0.114 0.000 1.039 103 T CA 4.522 66.672 62.100 0.084 0.000 1.153 103 T CB 0.052 68.961 68.868 0.069 0.000 0.863 103 T HN -0.327 8.232 8.240 0.053 -0.287 0.428 104 L N 0.682 121.961 121.223 0.092 0.000 2.093 104 L HA -0.264 4.157 4.340 0.134 0.000 0.208 104 L C 1.352 178.332 176.870 0.183 0.000 1.085 104 L CA 3.097 58.007 54.840 0.116 0.000 0.755 104 L CB -0.268 41.811 42.059 0.033 0.000 0.904 104 L HN -0.259 8.011 8.230 0.066 0.000 0.435 105 T N 2.304 116.948 114.554 0.151 0.000 2.684 105 T HA -0.503 3.956 4.350 0.182 0.000 0.267 105 T C 1.654 176.449 174.700 0.159 0.000 1.036 105 T CA 5.657 67.851 62.100 0.156 0.000 1.148 105 T CB -0.374 68.564 68.868 0.117 0.000 0.863 105 T HN -0.058 8.255 8.240 0.121 0.000 0.436 106 N N 1.135 119.922 118.700 0.145 0.000 2.188 106 N HA -0.179 4.635 4.740 0.123 0.000 0.184 106 N C 2.295 177.926 175.510 0.200 0.000 1.018 106 N CA 2.921 56.057 53.050 0.144 0.000 0.858 106 N CB -0.498 38.059 38.487 0.117 0.000 0.989 106 N HN -0.592 7.867 8.380 0.132 0.000 0.426 107 V N 1.468 121.538 119.914 0.260 0.000 2.287 107 V HA -0.462 3.888 4.120 0.384 0.000 0.248 107 V C 1.587 177.944 176.094 0.438 0.000 1.053 107 V CA 4.317 66.849 62.300 0.387 0.000 1.027 107 V CB -0.583 31.514 31.823 0.457 0.000 0.646 107 V HN -0.289 8.043 8.190 0.236 0.000 0.447 108 M N 0.449 120.295 119.600 0.409 0.000 2.086 108 M HA -0.525 4.297 4.480 0.571 0.000 0.261 108 M C 1.754 178.173 176.300 0.198 0.000 1.067 108 M CA 4.557 60.093 55.300 0.394 0.000 1.116 108 M CB -0.236 32.562 32.600 0.329 0.000 1.348 108 M HN 0.012 8.519 8.290 0.362 0.000 0.407 109 K N -1.988 118.501 120.400 0.149 0.000 2.057 109 K HA -0.450 3.887 4.320 0.029 0.000 0.207 109 K C 2.281 178.916 176.600 0.058 0.000 1.049 109 K CA 3.810 60.139 56.287 0.070 0.000 0.931 109 K CB -0.392 32.145 32.500 0.061 0.000 0.714 109 K HN -0.208 8.144 8.250 0.170 0.000 0.440 110 N N -1.168 117.606 118.700 0.123 0.000 2.120 110 N HA -0.300 4.475 4.740 0.058 0.000 0.188 110 N C 1.792 177.375 175.510 0.122 0.000 1.024 110 N CA 2.965 56.089 53.050 0.123 0.000 0.852 110 N CB -0.050 38.559 38.487 0.203 0.000 1.003 110 N HN -0.311 8.166 8.380 0.162 0.000 0.424 111 H N 1.288 120.391 119.070 0.055 0.000 2.321 111 H HA -0.252 4.395 4.556 0.152 0.000 0.300 111 H C 2.437 177.646 175.328 -0.200 0.000 1.087 111 H CA 4.061 60.051 56.048 -0.097 0.000 1.319 111 H CB 0.218 29.585 29.762 -0.658 0.000 1.379 111 H HN -0.472 7.971 8.280 0.272 0.000 0.501 112 I N -1.206 119.266 120.570 -0.164 0.000 2.099 112 I HA -0.616 3.344 4.170 -0.351 0.000 0.239 112 I C 1.785 177.716 176.117 -0.311 0.000 1.066 112 I CA 4.410 65.546 61.300 -0.272 0.000 1.324 112 I CB -0.024 37.852 38.000 -0.207 0.000 1.037 112 I HN -0.274 7.905 8.210 -0.051 0.000 0.401 113 T N 2.019 116.448 114.554 -0.208 0.000 2.746 113 T HA -0.379 3.845 4.350 -0.211 0.000 0.267 113 T C 2.054 176.604 174.700 -0.251 0.000 1.039 113 T CA 5.199 67.178 62.100 -0.201 0.000 1.142 113 T CB -0.152 68.641 68.868 -0.125 0.000 0.866 113 T HN -0.087 8.064 8.240 -0.148 0.000 0.444 114 T N 4.730 119.108 114.554 -0.293 0.000 2.708 114 T HA -0.397 3.735 4.350 -0.364 0.000 0.266 114 T C 1.390 175.859 174.700 -0.385 0.000 1.037 114 T CA 5.257 67.109 62.100 -0.414 0.000 1.146 114 T CB -0.076 68.348 68.868 -0.740 0.000 0.865 114 T HN -0.351 7.735 8.240 -0.257 0.000 0.435 115 L N 0.487 121.507 121.223 -0.338 0.000 2.056 115 L HA -0.348 3.990 4.340 -0.004 0.000 0.207 115 L C 1.846 178.628 176.870 -0.147 0.000 1.078 115 L CA 3.136 57.886 54.840 -0.151 0.000 0.749 115 L CB -0.020 41.944 42.059 -0.159 0.000 0.901 115 L HN -0.723 7.267 8.230 -0.400 0.000 0.433 116 M N -3.841 115.559 119.600 -0.334 0.000 2.200 116 M HA -0.420 4.021 4.480 -0.066 0.000 0.265 116 M C 1.626 177.869 176.300 -0.094 0.000 1.066 116 M CA 3.569 58.724 55.300 -0.242 0.000 1.127 116 M CB 0.061 32.384 32.600 -0.461 0.000 1.379 116 M HN -0.392 7.650 8.290 -0.413 0.000 0.420 117 T N -0.882 113.559 114.554 -0.187 0.000 2.867 117 T HA -0.233 4.046 4.350 -0.117 0.000 0.268 117 T C 2.784 177.335 174.700 -0.247 0.000 1.057 117 T CA 3.315 65.311 62.100 -0.174 0.000 1.136 117 T CB -0.410 68.357 68.868 -0.169 0.000 0.874 117 T HN -0.354 7.747 8.240 -0.232 0.000 0.466 118 R N 2.239 122.479 120.500 -0.433 0.000 2.105 118 R HA -0.282 3.705 4.340 -0.588 0.000 0.239 118 R C 0.973 176.874 176.300 -0.665 0.000 1.135 118 R CA 3.209 58.871 56.100 -0.729 0.000 0.967 118 R CB 0.271 29.788 30.300 -1.306 0.000 0.861 118 R HN -0.618 7.393 8.270 -0.433 0.000 0.442 119 Y N -6.914 113.364 120.300 -0.037 0.000 2.681 119 Y HA 0.109 4.648 4.550 -0.018 0.000 0.267 119 Y C -1.185 174.750 175.900 0.058 0.000 1.166 119 Y CA -2.816 55.300 58.100 0.027 0.000 1.209 119 Y CB -0.899 37.625 38.460 0.105 0.000 1.161 119 Y HN -0.873 7.268 8.280 -0.186 0.027 0.534 120 K N 1.348 121.810 120.400 0.103 0.000 2.491 120 K HA -0.586 3.997 4.320 0.134 -0.183 0.279 120 K C 1.220 177.871 176.600 0.085 0.000 1.026 120 K CA 1.905 58.246 56.287 0.091 0.000 1.070 120 K CB -0.502 32.006 32.500 0.014 0.000 0.887 120 K HN -0.827 7.358 8.250 0.012 0.071 0.481 121 G N 6.407 115.265 108.800 0.097 0.000 2.205 121 G HA2 -0.385 3.616 3.960 0.069 0.000 0.261 121 G HA3 -0.385 3.605 3.960 0.051 0.000 0.261 121 G C 0.345 175.282 174.900 0.062 0.000 0.980 121 G CA 0.717 45.859 45.100 0.069 0.000 0.632 121 G HN 0.322 8.969 8.290 0.121 -0.285 0.533 122 K N -1.397 119.050 120.400 0.078 0.000 2.354 122 K HA 0.070 4.402 4.320 0.020 0.000 0.194 122 K C -0.468 176.124 176.600 -0.013 0.000 1.038 122 K CA 0.318 56.628 56.287 0.039 0.000 1.052 122 K CB 1.143 33.682 32.500 0.065 0.000 0.861 122 K HN -0.311 7.934 8.250 0.116 0.074 0.535 123 I N -1.048 119.522 120.570 0.001 0.000 2.382 123 I HA 0.105 4.161 4.170 -0.190 0.000 0.286 123 I C -1.007 175.067 176.117 -0.071 0.000 1.002 123 I CA -1.073 60.153 61.300 -0.124 0.000 1.135 123 I CB 0.778 38.630 38.000 -0.246 0.000 1.288 123 I HN -0.670 7.580 8.210 0.067 0.000 0.448 124 R N 6.703 127.139 120.500 -0.107 0.000 2.092 124 R HA -0.280 4.071 4.340 0.018 0.000 0.231 124 R C -1.048 175.267 176.300 0.025 0.000 1.119 124 R CA 3.000 59.084 56.100 -0.027 0.000 0.970 124 R CB 0.960 31.242 30.300 -0.031 0.000 0.864 124 R HN 0.028 8.203 8.270 -0.158 0.000 0.440 125 A N -5.460 117.319 122.820 -0.068 0.000 2.574 125 A HA 0.555 5.174 4.320 0.201 -0.179 0.297 125 A C -2.723 174.809 177.584 -0.087 0.000 1.062 125 A CA -0.907 51.153 52.037 0.037 0.000 0.686 125 A CB 3.112 22.093 19.000 -0.032 0.000 1.285 125 A HN -0.888 7.148 8.150 -0.191 0.000 0.403 126 W N -0.700 120.654 121.300 0.090 0.000 2.702 126 W HA 0.386 5.240 4.660 0.036 -0.172 0.331 126 W C -1.217 175.364 176.519 0.103 0.000 1.049 126 W CA -1.544 55.840 57.345 0.065 0.000 1.230 126 W CB 3.874 33.366 29.460 0.053 0.000 1.408 126 W HN 0.607 9.052 8.180 0.442 0.000 0.492 127 D N 4.053 124.651 120.400 0.329 0.000 2.402 127 D HA 0.180 5.124 4.640 0.303 -0.122 0.235 127 D C 0.327 176.747 176.300 0.200 0.000 1.226 127 D CA 0.295 54.453 54.000 0.262 0.000 0.918 127 D CB -0.656 40.274 40.800 0.216 0.000 1.043 127 D HN 0.288 8.833 8.370 0.292 0.000 0.506 128 V N 5.048 125.022 119.914 0.100 0.000 2.323 128 V HA -0.159 3.882 4.120 -0.131 0.000 0.244 128 V C -0.336 175.642 176.094 -0.195 0.000 1.041 128 V CA 3.110 65.295 62.300 -0.191 0.000 1.025 128 V CB 0.637 32.059 31.823 -0.667 0.000 0.656 128 V HN 0.163 8.458 8.190 0.175 0.000 0.451 129 V N -3.214 116.638 119.914 -0.104 0.000 2.540 129 V HA 0.192 4.494 4.120 0.024 -0.168 0.302 129 V C -2.122 174.050 176.094 0.130 0.000 1.035 129 V CA -1.346 60.971 62.300 0.028 0.000 0.873 129 V CB 2.626 34.473 31.823 0.039 0.000 0.992 129 V HN -1.014 7.153 8.190 -0.039 0.000 0.428 130 N N 5.126 123.903 118.700 0.128 0.000 2.342 130 N HA 0.359 5.288 4.740 0.066 -0.150 0.293 130 N C -0.731 174.938 175.510 0.264 0.000 1.026 130 N CA -1.538 51.536 53.050 0.041 0.000 0.857 130 N CB 3.132 41.374 38.487 -0.408 0.000 1.256 130 N HN 0.025 8.507 8.380 0.169 0.000 0.484 131 E N 1.212 121.592 120.200 0.301 0.000 2.320 131 E HA -0.453 4.464 4.350 0.355 -0.354 0.234 131 E C -0.666 176.190 176.600 0.426 0.000 1.183 131 E CA 0.876 57.541 56.400 0.441 0.000 0.713 131 E CB -1.576 28.542 29.700 0.697 0.000 1.226 131 E HN 0.387 8.893 8.360 0.243 0.000 0.382 132 A N -3.071 119.962 122.820 0.354 0.000 2.208 132 A HA 0.049 4.517 4.320 0.248 0.000 0.209 132 A C -0.915 176.643 177.584 -0.043 0.000 1.161 132 A CA 0.874 53.031 52.037 0.200 0.000 0.782 132 A CB 0.889 19.964 19.000 0.125 0.000 0.816 132 A HN 0.011 8.393 8.150 0.387 0.000 0.477 133 F N -2.773 117.251 119.950 0.123 0.000 2.480 133 F HA 0.423 5.119 4.527 0.085 -0.117 0.329 133 F C -0.959 174.842 175.800 0.003 0.000 1.091 133 F CA -0.358 57.678 58.000 0.061 0.000 0.972 133 F CB 2.584 41.603 39.000 0.031 0.000 1.150 133 F HN -0.855 7.813 8.300 0.397 -0.129 0.467 134 N N 1.894 120.683 118.700 0.150 0.000 2.347 134 N HA -0.033 4.741 4.740 0.056 0.000 0.253 134 N C 1.043 176.595 175.510 0.070 0.000 1.274 134 N CA -0.319 52.779 53.050 0.080 0.000 0.941 134 N CB 0.854 39.371 38.487 0.049 0.000 1.200 134 N HN 0.396 8.853 8.380 0.128 0.000 0.514 135 E N -1.734 118.478 120.200 0.020 0.000 2.347 135 E HA -0.248 4.070 4.350 -0.053 0.000 0.196 135 E C -0.195 176.396 176.600 -0.015 0.000 1.008 135 E CA 2.360 58.745 56.400 -0.025 0.000 0.852 135 E CB -0.296 29.381 29.700 -0.040 0.000 0.783 135 E HN 0.457 8.831 8.360 0.022 0.000 0.505 136 D N -6.016 114.394 120.400 0.017 0.000 2.340 136 D HA -0.108 4.535 4.640 0.006 0.000 0.220 136 D C 0.752 177.080 176.300 0.048 0.000 1.039 136 D CA -0.533 53.480 54.000 0.021 0.000 0.866 136 D CB -0.603 40.208 40.800 0.020 0.000 0.913 136 D HN -0.310 8.040 8.370 0.027 0.037 0.523 137 G N -0.087 108.770 108.800 0.094 0.000 2.176 137 G HA2 -0.413 3.675 3.960 0.213 0.000 0.253 137 G HA3 -0.413 3.609 3.960 0.103 0.000 0.253 137 G C -0.436 174.617 174.900 0.256 0.000 0.979 137 G CA 0.242 45.445 45.100 0.170 0.000 0.641 137 G HN -0.245 7.921 8.290 0.095 0.181 0.530 138 S N -0.079 115.709 115.700 0.147 0.000 2.624 138 S HA -0.010 4.514 4.470 0.089 0.000 0.263 138 S C -0.084 174.546 174.600 0.049 0.000 1.287 138 S CA -0.038 58.217 58.200 0.092 0.000 0.990 138 S CB 1.722 64.949 63.200 0.044 0.000 0.950 138 S HN -0.563 8.025 8.310 0.109 -0.213 0.561 139 L N 0.223 121.417 121.223 -0.049 0.000 2.367 139 L HA 0.140 4.398 4.340 -0.337 -0.121 0.275 139 L C 0.597 177.435 176.870 -0.054 0.000 1.129 139 L CA -0.146 54.602 54.840 -0.154 0.000 0.839 139 L CB 1.114 43.110 42.059 -0.104 0.000 1.133 139 L HN 0.221 8.439 8.230 -0.021 0.000 0.453 140 R N 4.657 125.123 120.500 -0.057 0.000 2.522 140 R HA -0.126 4.342 4.340 -0.045 -0.156 0.284 140 R C -0.223 176.050 176.300 -0.045 0.000 1.032 140 R CA 0.596 56.667 56.100 -0.048 0.000 1.049 140 R CB 0.670 30.927 30.300 -0.073 0.000 0.956 140 R HN 0.066 8.175 8.270 -0.096 0.104 0.422 141 Q N 7.050 126.810 119.800 -0.067 0.000 3.026 141 Q HA -0.015 4.298 4.340 -0.046 0.000 0.258 141 Q C -0.502 175.428 176.000 -0.117 0.000 1.388 141 Q CA 0.158 55.920 55.803 -0.069 0.000 1.000 141 Q CB -1.867 26.837 28.738 -0.057 0.000 1.634 141 Q HN 0.469 8.696 8.270 -0.071 0.000 0.571 142 T N -2.136 112.340 114.554 -0.129 0.000 2.862 142 T HA 0.277 4.516 4.350 -0.186 0.000 0.276 142 T C 0.718 175.266 174.700 -0.254 0.000 0.974 142 T CA -2.377 59.619 62.100 -0.174 0.000 0.966 142 T CB 2.325 71.144 68.868 -0.082 0.000 1.072 142 T HN -0.404 7.732 8.240 -0.094 0.048 0.538 143 V N -0.032 119.643 119.914 -0.399 0.000 2.392 143 V HA -0.371 3.526 4.120 -0.371 0.000 0.249 143 V C 0.670 176.424 176.094 -0.567 0.000 1.059 143 V CA 3.330 65.317 62.300 -0.521 0.000 1.051 143 V CB -0.041 31.362 31.823 -0.701 0.000 0.658 143 V HN 0.345 8.296 8.190 -0.397 0.000 0.455 144 F N -2.459 117.243 119.950 -0.413 0.000 2.113 144 F HA -0.323 3.964 4.527 -0.401 0.000 0.297 144 F C 2.125 177.595 175.800 -0.550 0.000 1.103 144 F CA 3.976 61.619 58.000 -0.595 0.000 1.248 144 F CB -0.791 37.571 39.000 -1.062 0.000 0.999 144 F HN -0.903 6.940 8.300 -0.733 0.017 0.475 145 L N -0.031 120.994 121.223 -0.330 0.000 2.056 145 L HA -0.352 4.073 4.340 0.142 0.000 0.207 145 L C 1.518 178.377 176.870 -0.019 0.000 1.078 145 L CA 2.833 57.658 54.840 -0.025 0.000 0.749 145 L CB -0.141 41.959 42.059 0.067 0.000 0.901 145 L HN -0.686 7.328 8.230 -0.359 0.000 0.433 146 N N -1.456 117.190 118.700 -0.090 0.000 2.244 146 N HA -0.255 4.459 4.740 -0.042 0.000 0.183 146 N C 1.922 177.395 175.510 -0.061 0.000 1.016 146 N CA 2.782 55.788 53.050 -0.073 0.000 0.866 146 N CB 0.006 38.428 38.487 -0.108 0.000 0.980 146 N HN -0.186 8.109 8.380 -0.142 0.000 0.430 147 V N -2.853 117.009 119.914 -0.086 0.000 2.672 147 V HA -0.062 4.028 4.120 -0.050 0.000 0.242 147 V C 0.952 177.045 176.094 -0.002 0.000 1.059 147 V CA 1.325 63.589 62.300 -0.060 0.000 1.081 147 V CB 0.749 32.508 31.823 -0.106 0.000 0.752 147 V HN -0.409 7.680 8.190 -0.124 0.026 0.472 148 I N -5.442 115.147 120.570 0.031 0.000 2.585 148 I HA -0.130 4.089 4.170 0.082 0.000 0.254 148 I C 0.229 176.419 176.117 0.121 0.000 1.129 148 I CA 1.151 62.510 61.300 0.098 0.000 1.455 148 I CB 1.185 39.287 38.000 0.171 0.000 1.111 148 I HN -0.472 7.741 8.210 0.005 0.000 0.433 149 G N -1.879 107.003 108.800 0.137 0.000 2.631 149 G HA2 -0.213 3.918 3.960 0.127 0.000 0.504 149 G HA3 -0.213 3.823 3.960 0.126 0.000 0.504 149 G C -0.638 174.419 174.900 0.261 0.000 1.306 149 G CA -0.746 44.447 45.100 0.155 0.000 0.897 149 G HN -0.928 7.430 8.290 0.114 0.000 0.520 150 E N -0.065 120.257 120.200 0.202 0.000 2.267 150 E HA -0.347 4.150 4.350 0.244 0.000 0.197 150 E C 1.250 177.938 176.600 0.147 0.000 0.998 150 E CA 2.732 59.253 56.400 0.203 0.000 0.830 150 E CB -0.188 29.614 29.700 0.170 0.000 0.751 150 E HN 0.440 8.894 8.360 0.157 0.000 0.491 151 D N -1.016 119.471 120.400 0.144 0.000 2.350 151 D HA -0.172 4.507 4.640 0.065 0.000 0.216 151 D C 1.615 177.960 176.300 0.075 0.000 0.968 151 D CA 2.047 56.102 54.000 0.092 0.000 0.894 151 D CB -0.956 39.902 40.800 0.095 0.000 0.909 151 D HN 0.213 8.633 8.370 0.154 0.042 0.520 152 Y N -0.857 119.468 120.300 0.043 0.000 2.256 152 Y HA -0.404 4.163 4.550 0.028 0.000 0.288 152 Y C 1.016 176.887 175.900 -0.048 0.000 1.155 152 Y CA 2.924 61.037 58.100 0.022 0.000 1.203 152 Y CB -0.849 37.654 38.460 0.072 0.000 0.980 152 Y HN -0.450 7.965 8.280 0.331 0.063 0.530 153 I N 0.337 120.473 120.570 -0.723 0.000 2.193 153 I HA -0.348 3.428 4.170 -0.656 0.000 0.240 153 I C -0.488 175.423 176.117 -0.344 0.000 1.084 153 I CA 5.004 65.882 61.300 -0.702 0.000 1.365 153 I CB -2.504 34.897 38.000 -0.999 0.000 1.064 153 I HN -0.830 6.922 8.210 -0.725 0.024 0.410 154 P HA -0.273 4.041 4.420 -0.176 0.000 0.216 154 P C 1.614 178.889 177.300 -0.043 0.000 1.153 154 P CA 3.400 66.405 63.100 -0.158 0.000 0.858 154 P CB -0.445 31.198 31.700 -0.095 0.000 0.789 155 I N -3.509 117.042 120.570 -0.032 0.000 2.226 155 I HA -0.418 3.917 4.170 0.009 -0.159 0.245 155 I C 2.052 178.153 176.117 -0.027 0.000 1.100 155 I CA 3.701 65.002 61.300 0.001 0.000 1.374 155 I CB -0.218 37.807 38.000 0.042 0.000 1.057 155 I HN -0.226 7.959 8.210 -0.042 0.000 0.413 156 A N 0.178 122.952 122.820 -0.077 0.000 1.883 156 A HA -0.305 3.931 4.320 -0.140 0.000 0.217 156 A C 2.091 179.524 177.584 -0.252 0.000 1.186 156 A CA 3.189 55.117 52.037 -0.183 0.000 0.624 156 A CB -0.956 17.876 19.000 -0.280 0.000 0.822 156 A HN -0.307 7.796 8.150 -0.079 0.000 0.444 157 F N -2.231 117.633 119.950 -0.143 0.000 2.146 157 F HA -0.412 4.059 4.527 -0.093 0.000 0.298 157 F C 2.469 178.220 175.800 -0.082 0.000 1.096 157 F CA 4.661 62.592 58.000 -0.115 0.000 1.275 157 F CB -0.130 38.779 39.000 -0.153 0.000 1.008 157 F HN -0.496 7.801 8.300 -0.006 0.000 0.480 158 Q N -1.185 118.664 119.800 0.082 0.000 2.084 158 Q HA -0.464 3.907 4.340 0.052 0.000 0.202 158 Q C 2.568 178.569 176.000 0.003 0.000 0.978 158 Q CA 3.714 59.541 55.803 0.039 0.000 0.844 158 Q CB -0.243 28.511 28.738 0.026 0.000 0.898 158 Q HN 0.035 8.352 8.270 0.078 0.000 0.426 159 T N 2.185 116.723 114.554 -0.027 0.000 2.777 159 T HA -0.390 3.938 4.350 -0.036 0.000 0.266 159 T C 1.569 176.219 174.700 -0.085 0.000 1.040 159 T CA 4.134 66.203 62.100 -0.052 0.000 1.141 159 T CB -0.104 68.728 68.868 -0.061 0.000 0.868 159 T HN -0.299 7.923 8.240 -0.029 0.000 0.444 160 A N 1.523 124.272 122.820 -0.118 0.000 1.902 160 A HA -0.159 4.036 4.320 -0.208 0.000 0.217 160 A C 1.571 179.117 177.584 -0.064 0.000 1.181 160 A CA 2.737 54.682 52.037 -0.154 0.000 0.623 160 A CB -0.490 18.384 19.000 -0.211 0.000 0.818 160 A HN -0.354 7.722 8.150 -0.124 0.000 0.443 161 R N -0.674 119.825 120.500 -0.002 0.000 2.096 161 R HA -0.312 4.056 4.340 0.046 0.000 0.235 161 R C 1.804 178.108 176.300 0.008 0.000 1.127 161 R CA 2.221 58.339 56.100 0.030 0.000 0.968 161 R CB -0.386 29.945 30.300 0.052 0.000 0.861 161 R HN -0.302 7.974 8.270 0.009 0.000 0.440 162 A N -2.727 120.087 122.820 -0.010 0.000 1.969 162 A HA -0.099 4.218 4.320 -0.006 0.000 0.218 162 A C 1.658 179.224 177.584 -0.030 0.000 1.169 162 A CA 2.264 54.291 52.037 -0.016 0.000 0.635 162 A CB -0.822 18.167 19.000 -0.019 0.000 0.810 162 A HN -0.589 7.541 8.150 -0.014 0.011 0.445 163 A N -3.229 119.558 122.820 -0.055 0.000 1.897 163 A HA -0.178 4.099 4.320 -0.072 0.000 0.215 163 A C -0.892 176.664 177.584 -0.047 0.000 1.181 163 A CA 1.600 53.591 52.037 -0.077 0.000 0.620 163 A CB 1.022 19.939 19.000 -0.139 0.000 0.821 163 A HN -0.705 7.289 8.150 -0.064 0.118 0.443 164 D N -5.088 115.301 120.400 -0.018 0.000 2.337 164 D HA 0.412 5.069 4.640 0.027 0.000 0.238 164 D C -2.252 174.082 176.300 0.057 0.000 1.331 164 D CA -2.083 51.937 54.000 0.033 0.000 0.967 164 D CB 1.368 42.219 40.800 0.086 0.000 1.382 164 D HN -0.658 7.697 8.370 -0.026 0.000 0.549 165 P HA -0.012 4.529 4.420 0.054 -0.089 0.234 165 P C -0.388 176.954 177.300 0.070 0.000 1.167 165 P CA 0.603 63.734 63.100 0.052 0.000 0.763 165 P CB 0.486 32.208 31.700 0.035 0.000 0.835 166 N N -2.108 116.639 118.700 0.080 0.000 2.424 166 N HA -0.083 4.702 4.740 0.075 0.000 0.178 166 N C -0.429 175.152 175.510 0.119 0.000 1.060 166 N CA 0.361 53.462 53.050 0.086 0.000 0.901 166 N CB 1.019 39.553 38.487 0.077 0.000 0.979 166 N HN -0.394 8.221 8.380 0.078 -0.188 0.451 167 A N -0.490 122.425 122.820 0.159 0.000 2.354 167 A HA -0.046 4.508 4.320 0.193 -0.118 0.269 167 A C -0.424 177.295 177.584 0.225 0.000 1.109 167 A CA -0.388 51.782 52.037 0.223 0.000 0.800 167 A CB 0.941 20.167 19.000 0.377 0.000 1.045 167 A HN -0.799 7.402 8.150 0.153 0.041 0.489 168 K N 2.127 122.677 120.400 0.250 0.000 2.297 168 K HA 0.035 4.650 4.320 0.219 -0.164 0.286 168 K C -0.777 176.069 176.600 0.410 0.000 1.053 168 K CA -1.623 54.837 56.287 0.289 0.000 0.940 168 K CB 0.343 33.047 32.500 0.339 0.000 1.019 168 K HN -0.087 8.303 8.250 0.232 0.000 0.475 169 L N 3.992 125.421 121.223 0.344 0.000 2.272 169 L HA 0.264 4.889 4.340 0.476 0.000 0.289 169 L C -1.020 176.143 176.870 0.488 0.000 1.032 169 L CA -0.789 54.320 54.840 0.447 0.000 0.810 169 L CB 0.328 42.649 42.059 0.437 0.000 1.205 169 L HN 0.184 8.904 8.230 0.247 -0.342 0.422 170 Y N 2.532 123.050 120.300 0.362 0.000 2.446 170 Y HA 0.491 5.402 4.550 0.268 -0.201 0.338 170 Y C -0.782 175.371 175.900 0.422 0.000 1.055 170 Y CA -1.342 56.949 58.100 0.317 0.000 1.101 170 Y CB 3.677 42.267 38.460 0.216 0.000 1.221 170 Y HN 0.610 9.301 8.280 0.685 0.000 0.460 171 I N 1.500 122.364 120.570 0.491 0.000 2.359 171 I HA 0.536 5.151 4.170 0.452 -0.174 0.294 171 I C -2.214 174.104 176.117 0.334 0.000 0.987 171 I CA -1.818 59.740 61.300 0.431 0.000 1.225 171 I CB 2.671 40.898 38.000 0.379 0.000 1.366 171 I HN -0.039 8.368 8.210 0.329 0.000 0.466 172 N N 8.380 127.243 118.700 0.272 0.000 2.238 172 N HA 0.612 5.666 4.740 0.207 -0.190 0.302 172 N C -2.292 173.322 175.510 0.173 0.000 1.072 172 N CA -0.982 52.187 53.050 0.199 0.000 0.792 172 N CB 3.776 42.350 38.487 0.144 0.000 1.425 172 N HN -0.023 8.516 8.380 0.265 0.000 0.478 173 D N 2.820 123.304 120.400 0.140 0.000 2.639 173 D HA 0.305 5.057 4.640 0.187 0.000 0.271 173 D C -2.611 173.773 176.300 0.139 0.000 1.254 173 D CA -0.987 53.095 54.000 0.137 0.000 0.810 173 D CB 4.616 45.475 40.800 0.097 0.000 1.351 173 D HN -0.068 8.374 8.370 0.121 0.000 0.427 174 Y N -2.495 117.863 120.300 0.097 0.000 2.621 174 Y HA 0.193 4.786 4.550 0.073 0.000 0.334 174 Y C -1.290 174.681 175.900 0.119 0.000 1.074 174 Y CA -1.746 56.414 58.100 0.101 0.000 1.149 174 Y CB 2.379 40.922 38.460 0.139 0.000 1.302 174 Y HN 0.036 8.267 8.280 -0.082 0.000 0.501 175 N N -3.469 115.406 118.700 0.292 0.000 2.735 175 N HA -0.314 4.781 4.740 0.360 -0.139 0.248 175 N C -1.566 174.090 175.510 0.244 0.000 1.083 175 N CA 1.169 54.368 53.050 0.248 0.000 0.703 175 N CB -1.424 37.119 38.487 0.094 0.000 1.005 175 N HN 0.489 9.114 8.380 0.408 0.000 0.550 176 L N -6.171 115.153 121.223 0.167 0.000 2.984 176 L HA 0.193 4.608 4.340 0.125 0.000 0.246 176 L C 0.092 176.988 176.870 0.043 0.000 1.268 176 L CA -0.730 54.169 54.840 0.099 0.000 1.054 176 L CB -0.736 41.336 42.059 0.022 0.000 1.393 176 L HN -0.121 8.169 8.230 0.152 0.031 0.532 177 D N -1.601 118.828 120.400 0.049 0.000 2.389 177 D HA 0.036 4.651 4.640 -0.043 0.000 0.206 177 D C -0.713 175.430 176.300 -0.262 0.000 1.055 177 D CA 0.595 54.560 54.000 -0.058 0.000 0.856 177 D CB 0.804 41.627 40.800 0.037 0.000 0.957 177 D HN -0.054 8.354 8.370 0.185 0.072 0.509 178 S N -1.642 113.715 115.700 -0.571 0.000 2.521 178 S HA 0.525 4.739 4.470 -0.426 0.000 0.295 178 S C 0.238 174.596 174.600 -0.402 0.000 1.098 178 S CA -0.998 56.806 58.200 -0.661 0.000 0.999 178 S CB 2.234 64.605 63.200 -1.382 0.000 1.034 178 S HN -0.642 7.301 8.310 -0.611 0.000 0.483 179 A N 5.330 128.014 122.820 -0.227 0.000 2.067 179 A HA -0.105 4.149 4.320 -0.110 0.000 0.219 179 A C 0.318 177.849 177.584 -0.089 0.000 1.158 179 A CA 2.660 54.621 52.037 -0.126 0.000 0.661 179 A CB 0.041 18.986 19.000 -0.091 0.000 0.801 179 A HN 0.705 8.726 8.150 -0.214 0.000 0.452 180 S N -4.638 111.004 115.700 -0.096 0.000 2.575 180 S HA -0.053 4.414 4.470 -0.005 0.000 0.215 180 S C 0.250 174.911 174.600 0.101 0.000 0.966 180 S CA 0.296 58.492 58.200 -0.008 0.000 0.911 180 S CB 0.723 63.923 63.200 -0.001 0.000 0.780 180 S HN -0.781 7.394 8.310 -0.161 0.038 0.514 181 Y N 4.116 124.404 120.300 -0.020 0.000 2.497 181 Y HA -0.017 4.528 4.550 -0.010 0.000 0.334 181 Y C -0.599 175.283 175.900 -0.031 0.000 1.199 181 Y CA -1.927 56.162 58.100 -0.019 0.000 1.425 181 Y CB -1.380 37.069 38.460 -0.019 0.000 1.291 181 Y HN -0.928 7.310 8.280 0.013 0.050 0.562 182 P HA -0.322 4.119 4.420 0.034 0.000 0.216 182 P C 1.170 178.477 177.300 0.010 0.000 1.150 182 P CA 2.752 65.876 63.100 0.040 0.000 0.843 182 P CB 0.338 32.048 31.700 0.016 0.000 0.787 183 K N -3.526 116.877 120.400 0.005 0.000 2.097 183 K HA -0.310 3.968 4.320 -0.070 0.000 0.205 183 K C 1.958 178.489 176.600 -0.115 0.000 1.050 183 K CA 3.777 60.027 56.287 -0.062 0.000 0.938 183 K CB -0.592 31.858 32.500 -0.083 0.000 0.718 183 K HN 0.194 8.434 8.250 0.017 0.020 0.442 184 T N 2.132 116.678 114.554 -0.014 0.000 2.708 184 T HA -0.411 3.887 4.350 -0.087 0.000 0.266 184 T C 2.257 176.899 174.700 -0.095 0.000 1.037 184 T CA 4.555 66.625 62.100 -0.050 0.000 1.146 184 T CB -0.379 68.488 68.868 -0.001 0.000 0.865 184 T HN -0.692 7.595 8.240 0.077 0.000 0.435 185 Q N -0.089 119.673 119.800 -0.062 0.000 2.084 185 Q HA -0.345 3.953 4.340 -0.070 0.000 0.202 185 Q C 2.201 178.134 176.000 -0.111 0.000 0.978 185 Q CA 3.191 58.952 55.803 -0.070 0.000 0.844 185 Q CB -0.492 28.224 28.738 -0.036 0.000 0.898 185 Q HN -0.684 7.570 8.270 -0.027 0.000 0.426 186 A N -0.010 122.728 122.820 -0.136 0.000 1.898 186 A HA -0.218 4.044 4.320 -0.097 0.000 0.216 186 A C 2.010 179.405 177.584 -0.315 0.000 1.181 186 A CA 2.966 54.910 52.037 -0.155 0.000 0.620 186 A CB -0.787 18.167 19.000 -0.078 0.000 0.819 186 A HN -0.412 7.648 8.150 -0.120 0.017 0.442 187 I N -1.299 118.947 120.570 -0.541 0.000 2.286 187 I HA -0.496 3.173 4.170 -0.836 0.000 0.248 187 I C 1.295 177.257 176.117 -0.258 0.000 1.115 187 I CA 3.333 64.258 61.300 -0.626 0.000 1.392 187 I CB 0.402 38.011 38.000 -0.651 0.000 1.065 187 I HN -0.480 7.435 8.210 -0.491 0.000 0.418 188 V N -0.231 119.570 119.914 -0.189 0.000 2.295 188 V HA -0.541 3.519 4.120 -0.100 0.000 0.246 188 V C 1.966 177.988 176.094 -0.120 0.000 1.049 188 V CA 4.422 66.650 62.300 -0.120 0.000 1.024 188 V CB -0.995 30.770 31.823 -0.096 0.000 0.648 188 V HN -0.556 7.515 8.190 -0.198 0.000 0.447 189 N N -0.759 117.861 118.700 -0.133 0.000 2.084 189 N HA -0.312 4.360 4.740 -0.114 0.000 0.190 189 N C 2.243 177.634 175.510 -0.198 0.000 1.030 189 N CA 3.318 56.287 53.050 -0.134 0.000 0.849 189 N CB 0.124 38.543 38.487 -0.114 0.000 1.012 189 N HN -0.463 7.835 8.380 -0.137 0.000 0.423 190 R N -1.113 119.234 120.500 -0.255 0.000 2.092 190 R HA -0.223 3.762 4.340 -0.591 0.000 0.231 190 R C 2.416 178.415 176.300 -0.501 0.000 1.119 190 R CA 2.194 57.973 56.100 -0.535 0.000 0.970 190 R CB -0.536 29.414 30.300 -0.583 0.000 0.864 190 R HN -0.045 8.098 8.270 -0.211 0.000 0.440 191 V N 0.816 120.657 119.914 -0.122 0.000 2.343 191 V HA -0.544 3.784 4.120 0.346 0.000 0.247 191 V C 1.593 177.694 176.094 0.011 0.000 1.051 191 V CA 4.483 66.840 62.300 0.096 0.000 1.036 191 V CB -0.497 31.377 31.823 0.083 0.000 0.654 191 V HN 0.141 8.266 8.190 -0.109 0.000 0.451 192 K N -0.473 119.889 120.400 -0.063 0.000 2.063 192 K HA -0.326 3.973 4.320 -0.035 0.000 0.208 192 K C 2.575 179.139 176.600 -0.060 0.000 1.048 192 K CA 3.683 59.936 56.287 -0.056 0.000 0.928 192 K CB -0.313 32.147 32.500 -0.067 0.000 0.713 192 K HN -0.345 7.854 8.250 -0.085 0.000 0.442 193 K N -0.887 119.432 120.400 -0.135 0.000 2.057 193 K HA -0.301 3.964 4.320 -0.090 0.000 0.206 193 K C 2.644 179.217 176.600 -0.046 0.000 1.050 193 K CA 3.035 59.237 56.287 -0.142 0.000 0.935 193 K CB -0.170 32.176 32.500 -0.257 0.000 0.715 193 K HN -0.600 7.538 8.250 -0.188 0.000 0.439 194 W N -1.738 119.536 121.300 -0.044 0.000 2.358 194 W HA -0.293 4.337 4.660 -0.051 0.000 0.303 194 W C 2.454 178.926 176.519 -0.079 0.000 1.208 194 W CA 2.604 59.909 57.345 -0.067 0.000 1.274 194 W CB -0.523 28.875 29.460 -0.103 0.000 1.138 194 W HN -0.026 8.079 8.180 -0.126 0.000 0.515 195 R N -1.799 118.784 120.500 0.137 0.000 2.092 195 R HA -0.185 4.332 4.340 0.031 -0.159 0.231 195 R C 3.139 179.458 176.300 0.033 0.000 1.119 195 R CA 3.178 59.306 56.100 0.046 0.000 0.970 195 R CB -0.158 30.146 30.300 0.007 0.000 0.864 195 R HN -0.094 8.257 8.270 0.135 0.000 0.440 196 A N -0.376 122.460 122.820 0.027 0.000 2.070 196 A HA -0.106 4.220 4.320 0.009 0.000 0.220 196 A C 0.574 178.175 177.584 0.028 0.000 1.159 196 A CA 2.326 54.372 52.037 0.015 0.000 0.656 196 A CB -0.688 18.311 19.000 -0.001 0.000 0.800 196 A HN -0.210 7.955 8.150 0.025 0.000 0.453 197 A N -3.447 119.405 122.820 0.053 0.000 2.307 197 A HA 0.075 4.422 4.320 0.045 0.000 0.218 197 A C -0.079 177.537 177.584 0.054 0.000 1.228 197 A CA -0.386 51.688 52.037 0.061 0.000 0.857 197 A CB -0.089 18.970 19.000 0.098 0.000 0.897 197 A HN -0.445 7.606 8.150 0.071 0.142 0.495 198 G N -1.560 107.264 108.800 0.041 0.000 2.141 198 G HA2 -0.333 3.638 3.960 0.018 0.000 0.231 198 G HA3 -0.333 3.642 3.960 0.026 0.000 0.231 198 G C -0.346 174.564 174.900 0.017 0.000 0.984 198 G CA -0.068 45.047 45.100 0.026 0.000 0.660 198 G HN -0.507 7.623 8.290 0.040 0.185 0.525 199 V N 1.218 121.142 119.914 0.016 0.000 2.555 199 V HA 0.109 4.216 4.120 -0.021 0.000 0.286 199 V C -1.359 174.685 176.094 -0.082 0.000 1.044 199 V CA -2.427 59.850 62.300 -0.038 0.000 1.026 199 V CB 0.587 32.352 31.823 -0.098 0.000 0.981 199 V HN -0.517 7.700 8.190 0.044 0.000 0.480 200 P HA 0.114 4.511 4.420 -0.038 0.000 0.238 200 P C -2.101 175.132 177.300 -0.112 0.000 1.794 200 P CA -0.566 62.514 63.100 -0.034 0.000 1.088 200 P CB -1.853 29.875 31.700 0.046 0.000 1.923 201 I N 4.244 124.653 120.570 -0.268 0.000 2.307 201 I HA -0.085 3.822 4.170 -0.438 0.000 0.289 201 I C -1.204 174.802 176.117 -0.185 0.000 1.021 201 I CA -0.209 60.852 61.300 -0.398 0.000 1.224 201 I CB 0.647 38.303 38.000 -0.573 0.000 1.376 201 I HN -0.413 7.620 8.210 -0.220 0.045 0.470 202 D N 6.278 126.607 120.400 -0.118 0.000 2.327 202 D HA 0.108 4.688 4.640 -0.101 0.000 0.205 202 D C -0.280 175.833 176.300 -0.311 0.000 0.989 202 D CA 1.462 55.384 54.000 -0.131 0.000 0.873 202 D CB 1.585 42.366 40.800 -0.031 0.000 0.955 202 D HN 0.145 8.483 8.370 -0.052 0.000 0.515 203 G N -3.474 105.008 108.800 -0.529 0.000 2.706 203 G HA2 0.596 4.419 3.960 -0.650 0.000 0.297 203 G HA3 0.596 3.303 3.960 -2.087 0.000 0.297 203 G C -3.243 171.329 174.900 -0.547 0.000 1.403 203 G CA -0.169 44.345 45.100 -0.976 0.000 0.954 203 G HN -0.642 7.413 8.290 -0.391 0.000 0.500 204 I N 0.786 121.206 120.570 -0.251 0.000 2.354 204 I HA 0.536 4.918 4.170 0.081 -0.164 0.292 204 I C -1.010 175.247 176.117 0.233 0.000 0.989 204 I CA -1.558 59.758 61.300 0.027 0.000 1.188 204 I CB 2.388 40.394 38.000 0.009 0.000 1.342 204 I HN -0.337 7.726 8.210 -0.244 0.000 0.457 205 G N 5.494 114.514 108.800 0.367 0.000 2.335 205 G HA2 0.439 4.749 3.960 0.312 0.000 0.316 205 G HA3 0.439 4.700 3.960 0.303 -0.119 0.316 205 G C -2.528 172.456 174.900 0.141 0.000 1.129 205 G CA -1.544 43.736 45.100 0.299 0.000 0.899 205 G HN 0.699 9.202 8.290 0.354 0.000 0.448 206 S N 4.375 120.123 115.700 0.081 0.000 2.498 206 S HA 0.617 5.264 4.470 0.048 -0.149 0.324 206 S C 1.077 175.666 174.600 -0.019 0.000 1.071 206 S CA -2.781 55.440 58.200 0.035 0.000 1.113 206 S CB 1.177 64.390 63.200 0.022 0.000 0.976 206 S HN 0.245 8.607 8.310 0.086 0.000 0.462 207 Q N 8.499 128.276 119.800 -0.038 0.000 2.061 207 Q HA -0.217 3.974 4.340 -0.248 0.000 0.204 207 Q C 0.493 176.308 176.000 -0.309 0.000 0.984 207 Q CA 2.822 58.502 55.803 -0.205 0.000 0.846 207 Q CB 0.664 29.311 28.738 -0.153 0.000 0.902 207 Q HN 0.451 8.734 8.270 0.022 0.000 0.421 208 T N -4.060 110.409 114.554 -0.142 0.000 4.047 208 T HA -0.410 4.122 4.350 -0.010 -0.188 0.362 208 T C -1.871 172.745 174.700 -0.140 0.000 0.757 208 T CA -0.010 62.033 62.100 -0.096 0.000 1.975 208 T CB -1.418 67.403 68.868 -0.079 0.000 1.820 208 T HN 0.066 8.283 8.240 -0.037 0.000 0.851 209 H N -0.023 119.109 119.070 0.103 0.000 2.969 209 H HA 0.277 5.200 4.556 0.167 -0.266 0.269 209 H C -0.138 175.273 175.328 0.138 0.000 1.223 209 H CA -0.369 55.773 56.048 0.156 0.000 1.400 209 H CB -0.501 29.392 29.762 0.218 0.000 1.500 209 H HN -0.064 8.248 8.280 0.053 0.000 0.486 210 L N 5.013 126.336 121.223 0.167 0.000 2.352 210 L HA 0.288 4.830 4.340 0.125 -0.127 0.269 210 L C 0.126 177.047 176.870 0.085 0.000 1.034 210 L CA -0.779 54.120 54.840 0.099 0.000 0.806 210 L CB 2.200 44.265 42.059 0.010 0.000 1.244 210 L HN 0.176 8.489 8.230 0.137 0.000 0.447 211 S N 1.636 117.381 115.700 0.077 0.000 2.672 211 S HA 0.143 4.642 4.470 0.048 0.000 0.276 211 S C -0.897 173.721 174.600 0.030 0.000 1.207 211 S CA -0.843 57.389 58.200 0.054 0.000 1.002 211 S CB 0.931 64.170 63.200 0.066 0.000 0.998 211 S HN 0.096 8.781 8.310 0.089 -0.321 0.542 212 A N 1.219 124.054 122.820 0.024 0.000 2.520 212 A HA -0.263 4.198 4.320 0.013 -0.133 0.245 212 A C 1.352 178.948 177.584 0.019 0.000 1.072 212 A CA 1.120 53.169 52.037 0.019 0.000 0.761 212 A CB -0.964 18.049 19.000 0.021 0.000 1.004 212 A HN 0.302 8.468 8.150 0.026 0.000 0.499 213 G N 3.963 112.771 108.800 0.013 0.000 2.195 213 G HA2 -0.416 3.551 3.960 0.011 0.000 0.246 213 G HA3 -0.416 3.554 3.960 0.016 0.000 0.246 213 G C 0.658 175.562 174.900 0.008 0.000 0.984 213 G CA 0.567 45.675 45.100 0.012 0.000 0.633 213 G HN 0.442 9.188 8.290 0.010 -0.450 0.525 214 Q N 1.338 121.142 119.800 0.007 0.000 2.425 214 Q HA -0.005 4.338 4.340 0.004 0.000 0.204 214 Q C 1.790 177.781 176.000 -0.016 0.000 0.933 214 Q CA 0.609 56.415 55.803 0.004 0.000 0.939 214 Q CB 0.403 29.158 28.738 0.028 0.000 1.044 214 Q HN -0.498 7.712 8.270 0.008 0.065 0.513 215 G N -0.434 108.352 108.800 -0.024 0.000 2.442 215 G HA2 -0.335 3.599 3.960 -0.043 0.000 0.219 215 G HA3 -0.335 3.605 3.960 -0.034 0.000 0.219 215 G C 0.507 175.391 174.900 -0.027 0.000 1.141 215 G CA 2.070 47.150 45.100 -0.033 0.000 0.763 215 G HN -0.134 8.376 8.290 -0.021 -0.233 0.554 216 A N -0.546 122.262 122.820 -0.020 0.000 1.978 216 A HA -0.347 3.962 4.320 -0.018 0.000 0.220 216 A C 1.587 179.149 177.584 -0.037 0.000 1.170 216 A CA 2.372 54.395 52.037 -0.022 0.000 0.636 216 A CB -0.971 18.020 19.000 -0.015 0.000 0.810 216 A HN 0.345 8.462 8.150 -0.016 0.023 0.448 217 S N -1.276 114.394 115.700 -0.050 0.000 2.423 217 S HA -0.142 4.280 4.470 -0.079 0.000 0.231 217 S C 1.905 176.454 174.600 -0.084 0.000 1.014 217 S CA 2.741 60.892 58.200 -0.080 0.000 0.965 217 S CB -0.537 62.595 63.200 -0.115 0.000 0.785 217 S HN -0.524 7.731 8.310 -0.044 0.029 0.495 218 V N 1.523 121.398 119.914 -0.064 0.000 2.594 218 V HA -0.302 3.777 4.120 -0.067 0.000 0.253 218 V C 1.768 177.833 176.094 -0.049 0.000 1.069 218 V CA 2.959 65.225 62.300 -0.057 0.000 1.082 218 V CB -1.020 30.776 31.823 -0.044 0.000 0.680 218 V HN -0.452 7.674 8.190 -0.055 0.031 0.469 219 L N -3.942 117.255 121.223 -0.042 0.000 2.127 219 L HA -0.293 4.028 4.340 -0.032 0.000 0.211 219 L C 1.616 178.461 176.870 -0.041 0.000 1.089 219 L CA 2.355 57.174 54.840 -0.035 0.000 0.757 219 L CB -0.572 41.470 42.059 -0.028 0.000 0.899 219 L HN -0.830 7.349 8.230 -0.041 0.027 0.434 220 Q N -3.715 116.054 119.800 -0.051 0.000 2.349 220 Q HA -0.027 4.286 4.340 -0.046 0.000 0.209 220 Q C 1.654 177.616 176.000 -0.064 0.000 0.920 220 Q CA 1.806 57.576 55.803 -0.055 0.000 0.901 220 Q CB 1.032 29.734 28.738 -0.059 0.000 1.021 220 Q HN -0.742 7.473 8.270 -0.057 0.021 0.519 221 A N 0.824 123.598 122.820 -0.078 0.000 1.929 221 A HA -0.150 4.118 4.320 -0.086 0.000 0.216 221 A C 1.719 179.268 177.584 -0.058 0.000 1.176 221 A CA 2.890 54.878 52.037 -0.082 0.000 0.628 221 A CB -0.411 18.526 19.000 -0.105 0.000 0.816 221 A HN -0.352 7.750 8.150 -0.081 0.000 0.444 222 L N -1.047 120.147 121.223 -0.049 0.000 2.056 222 L HA -0.093 4.226 4.340 -0.035 0.000 0.207 222 L C -1.357 175.491 176.870 -0.037 0.000 1.078 222 L CA 4.571 59.388 54.840 -0.038 0.000 0.749 222 L CB -2.218 39.820 42.059 -0.035 0.000 0.901 222 L HN -0.365 7.834 8.230 -0.051 0.000 0.433 223 P HA -0.249 4.152 4.420 -0.032 0.000 0.216 223 P C 1.350 178.628 177.300 -0.037 0.000 1.150 223 P CA 2.997 66.076 63.100 -0.035 0.000 0.837 223 P CB -0.375 31.305 31.700 -0.033 0.000 0.786 224 L N -2.082 119.115 121.223 -0.043 0.000 2.056 224 L HA -0.270 4.044 4.340 -0.043 0.000 0.207 224 L C 1.716 178.557 176.870 -0.047 0.000 1.078 224 L CA 2.924 57.737 54.840 -0.046 0.000 0.749 224 L CB -0.323 41.705 42.059 -0.052 0.000 0.901 224 L HN -0.933 7.270 8.230 -0.046 0.000 0.433 225 L N -2.068 119.127 121.223 -0.046 0.000 2.042 225 L HA -0.449 3.860 4.340 -0.052 0.000 0.210 225 L C 2.339 179.185 176.870 -0.041 0.000 1.076 225 L CA 3.189 58.003 54.840 -0.044 0.000 0.749 225 L CB -0.797 41.242 42.059 -0.033 0.000 0.893 225 L HN -0.241 7.962 8.230 -0.045 0.000 0.432 226 A N -3.133 119.665 122.820 -0.036 0.000 2.067 226 A HA -0.248 4.050 4.320 -0.035 0.000 0.219 226 A C 1.641 179.203 177.584 -0.036 0.000 1.158 226 A CA 2.636 54.652 52.037 -0.034 0.000 0.661 226 A CB -0.651 18.331 19.000 -0.030 0.000 0.801 226 A HN -0.162 7.955 8.150 -0.035 0.013 0.452 227 S N -1.555 114.122 115.700 -0.038 0.000 2.515 227 S HA -0.209 4.241 4.470 -0.034 0.000 0.231 227 S C 1.022 175.597 174.600 -0.040 0.000 0.987 227 S CA 2.285 60.462 58.200 -0.037 0.000 0.936 227 S CB -0.455 62.723 63.200 -0.037 0.000 0.766 227 S HN -0.393 7.736 8.310 -0.039 0.157 0.528 228 A N -0.424 122.369 122.820 -0.045 0.000 2.121 228 A HA -0.162 4.129 4.320 -0.049 0.000 0.218 228 A C -0.082 177.477 177.584 -0.042 0.000 1.154 228 A CA 1.014 53.023 52.037 -0.047 0.000 0.679 228 A CB 0.148 19.118 19.000 -0.050 0.000 0.795 228 A HN -0.837 7.235 8.150 -0.046 0.051 0.458 229 G N -3.592 105.184 108.800 -0.040 0.000 2.141 229 G HA2 -0.368 3.572 3.960 -0.033 0.000 0.242 229 G HA3 -0.368 3.572 3.960 -0.034 0.000 0.242 229 G C -0.445 174.429 174.900 -0.044 0.000 0.982 229 G CA 0.059 45.137 45.100 -0.037 0.000 0.662 229 G HN -0.422 7.798 8.290 -0.040 0.046 0.527 230 T N -1.151 113.368 114.554 -0.058 0.000 2.900 230 T HA 0.162 4.467 4.350 -0.075 0.000 0.307 230 T C -0.673 173.987 174.700 -0.067 0.000 1.065 230 T CA -2.749 59.304 62.100 -0.079 0.000 1.105 230 T CB 0.714 69.509 68.868 -0.122 0.000 0.979 230 T HN -0.413 7.744 8.240 -0.058 0.048 0.544 231 P HA -0.116 4.288 4.420 -0.027 0.000 0.218 231 P C -1.097 176.181 177.300 -0.036 0.000 1.148 231 P CA 1.366 64.442 63.100 -0.039 0.000 0.822 231 P CB 0.330 32.016 31.700 -0.024 0.000 0.784 232 E N -5.789 114.367 120.200 -0.073 0.000 2.343 232 E HA 0.592 5.114 4.350 0.001 -0.172 0.270 232 E C -1.327 175.229 176.600 -0.073 0.000 0.895 232 E CA -1.740 54.637 56.400 -0.039 0.000 0.767 232 E CB 4.612 34.325 29.700 0.022 0.000 1.248 232 E HN -0.554 7.705 8.360 -0.122 0.028 0.440 233 V N -3.728 116.199 119.914 0.022 0.000 3.001 233 V HA 1.048 5.379 4.120 0.077 -0.164 0.314 233 V C -2.383 173.815 176.094 0.173 0.000 1.099 233 V CA -3.520 58.826 62.300 0.076 0.000 0.989 233 V CB 4.139 35.978 31.823 0.025 0.000 1.040 233 V HN 0.528 8.634 8.190 0.032 0.103 0.434 234 A N -0.230 122.729 122.820 0.231 0.000 2.594 234 A HA 0.508 4.867 4.320 0.066 0.000 0.295 234 A C -2.212 175.420 177.584 0.081 0.000 1.071 234 A CA -1.174 50.954 52.037 0.151 0.000 0.685 234 A CB 3.969 23.095 19.000 0.210 0.000 1.285 234 A HN 0.040 8.340 8.150 0.250 0.000 0.405 235 I N 0.858 121.435 120.570 0.010 0.000 2.301 235 I HA 0.453 4.794 4.170 -0.009 -0.176 0.292 235 I C 0.931 177.052 176.117 0.008 0.000 1.046 235 I CA -2.179 59.114 61.300 -0.012 0.000 1.282 235 I CB -1.053 36.917 38.000 -0.049 0.000 1.409 235 I HN -0.093 8.103 8.210 -0.023 0.000 0.484 236 T N 2.279 116.820 114.554 -0.022 0.000 3.015 236 T HA 0.146 4.512 4.350 0.026 0.000 0.250 236 T C 0.522 175.194 174.700 -0.047 0.000 1.057 236 T CA 0.241 62.323 62.100 -0.030 0.000 1.066 236 T CB 1.064 69.883 68.868 -0.081 0.000 0.959 236 T HN 0.454 8.666 8.240 -0.046 0.000 0.488 237 E N -0.321 119.784 120.200 -0.157 0.000 4.170 237 E HA 0.228 4.691 4.350 0.188 0.000 0.199 237 E C -1.179 175.305 176.600 -0.193 0.000 1.080 237 E CA -1.298 54.963 56.400 -0.231 0.000 1.446 237 E CB 1.143 30.299 29.700 -0.907 0.000 1.170 237 E HN -0.650 7.602 8.360 -0.181 0.000 0.429 238 L N 2.685 123.930 121.223 0.038 0.000 2.455 238 L HA -0.003 4.521 4.340 -0.064 -0.223 0.272 238 L C -2.000 175.016 176.870 0.243 0.000 1.174 238 L CA 0.766 55.645 54.840 0.065 0.000 0.869 238 L CB 1.082 43.231 42.059 0.151 0.000 1.130 238 L HN -0.324 7.970 8.230 0.106 0.000 0.474 239 D N 4.133 124.652 120.400 0.198 0.000 2.623 239 D HA 0.467 5.301 4.640 0.322 0.000 0.241 239 D C -2.091 174.268 176.300 0.097 0.000 1.241 239 D CA -1.020 53.148 54.000 0.279 0.000 0.788 239 D CB 4.144 45.212 40.800 0.447 0.000 1.413 239 D HN -0.179 8.251 8.370 0.100 0.000 0.429 240 V N -1.209 118.727 119.914 0.038 0.000 2.567 240 V HA 0.248 4.524 4.120 -0.026 -0.172 0.298 240 V C -0.514 175.601 176.094 0.035 0.000 1.047 240 V CA -1.440 60.829 62.300 -0.052 0.000 0.880 240 V CB 3.061 34.707 31.823 -0.295 0.000 1.009 240 V HN -0.113 8.161 8.190 0.140 0.000 0.429 241 A N 7.419 130.254 122.820 0.025 0.000 2.566 241 A HA -0.271 4.050 4.320 0.001 0.000 0.245 241 A C 0.266 177.868 177.584 0.031 0.000 1.056 241 A CA 1.308 53.352 52.037 0.013 0.000 0.757 241 A CB -0.045 18.954 19.000 -0.002 0.000 0.979 241 A HN 0.132 8.299 8.150 0.027 0.000 0.508 242 G N 1.899 110.722 108.800 0.038 0.000 2.267 242 G HA2 -0.454 3.529 3.960 0.037 0.000 0.257 242 G HA3 -0.454 3.532 3.960 0.042 0.000 0.257 242 G C -0.217 174.739 174.900 0.092 0.000 0.998 242 G CA 0.215 45.345 45.100 0.050 0.000 0.620 242 G HN 0.444 8.750 8.290 0.028 0.000 0.529 243 A N -1.637 121.274 122.820 0.152 0.000 2.783 243 A HA -0.409 4.184 4.320 0.454 0.000 0.292 243 A C -1.085 176.653 177.584 0.256 0.000 1.495 243 A CA 0.551 52.767 52.037 0.298 0.000 0.787 243 A CB -1.692 17.463 19.000 0.258 0.000 1.017 243 A HN -0.250 7.880 8.150 0.131 0.098 0.516 244 S N -2.516 113.288 115.700 0.175 0.000 2.549 244 S HA -0.067 4.470 4.470 0.112 0.000 0.286 244 S C 1.463 176.184 174.600 0.203 0.000 1.314 244 S CA -0.251 58.032 58.200 0.139 0.000 1.062 244 S CB 1.365 64.614 63.200 0.081 0.000 0.865 244 S HN -0.103 8.265 8.310 0.133 0.021 0.498 245 S N 6.172 121.958 115.700 0.144 0.000 2.400 245 S HA -0.355 4.224 4.470 0.182 0.000 0.232 245 S C 1.998 176.676 174.600 0.129 0.000 1.025 245 S CA 4.409 62.691 58.200 0.138 0.000 0.993 245 S CB -0.225 63.016 63.200 0.068 0.000 0.808 245 S HN 0.513 8.886 8.310 0.106 0.000 0.478 246 T N 4.572 119.180 114.554 0.089 0.000 2.708 246 T HA -0.410 3.974 4.350 0.057 0.000 0.266 246 T C 1.825 176.563 174.700 0.062 0.000 1.037 246 T CA 4.976 67.114 62.100 0.063 0.000 1.146 246 T CB -0.276 68.617 68.868 0.041 0.000 0.865 246 T HN -0.548 7.718 8.240 0.081 0.023 0.435 247 D N 1.853 122.288 120.400 0.057 0.000 2.097 247 D HA -0.217 4.420 4.640 -0.005 0.000 0.197 247 D C 2.329 178.632 176.300 0.005 0.000 0.984 247 D CA 3.721 57.722 54.000 0.002 0.000 0.826 247 D CB -0.194 40.575 40.800 -0.050 0.000 0.973 247 D HN -0.556 7.855 8.370 0.067 0.000 0.460 248 Y N 0.085 120.420 120.300 0.058 0.000 2.181 248 Y HA -0.356 4.250 4.550 0.092 0.000 0.288 248 Y C 2.384 178.325 175.900 0.068 0.000 1.146 248 Y CA 3.985 62.133 58.100 0.079 0.000 1.164 248 Y CB 0.022 38.535 38.460 0.089 0.000 0.982 248 Y HN -0.526 7.894 8.280 0.234 0.000 0.515 249 V N -1.842 118.192 119.914 0.200 0.000 2.427 249 V HA -0.514 3.685 4.120 0.132 0.000 0.248 249 V C 1.848 177.990 176.094 0.080 0.000 1.051 249 V CA 3.887 66.260 62.300 0.121 0.000 1.048 249 V CB -0.991 30.879 31.823 0.079 0.000 0.666 249 V HN -0.010 8.298 8.190 0.198 0.000 0.456 250 N N 0.277 119.011 118.700 0.058 0.000 2.104 250 N HA -0.268 4.485 4.740 0.022 0.000 0.190 250 N C 2.678 178.198 175.510 0.018 0.000 1.024 250 N CA 3.228 56.293 53.050 0.026 0.000 0.853 250 N CB -0.502 37.990 38.487 0.009 0.000 1.008 250 N HN -0.584 7.833 8.380 0.063 0.000 0.424 251 V N 0.186 120.114 119.914 0.023 0.000 2.358 251 V HA -0.380 3.732 4.120 -0.013 0.000 0.246 251 V C 1.788 177.890 176.094 0.013 0.000 1.047 251 V CA 3.741 66.045 62.300 0.007 0.000 1.035 251 V CB -0.654 31.165 31.823 -0.007 0.000 0.658 251 V HN -0.545 7.664 8.190 0.033 0.000 0.452 252 V N 0.721 120.672 119.914 0.061 0.000 2.343 252 V HA -0.640 3.475 4.120 -0.009 0.000 0.247 252 V C 1.797 177.897 176.094 0.010 0.000 1.051 252 V CA 4.893 67.218 62.300 0.042 0.000 1.036 252 V CB -0.416 31.486 31.823 0.132 0.000 0.654 252 V HN -0.304 7.949 8.190 0.104 0.000 0.451 253 N N -1.179 117.533 118.700 0.020 0.000 2.244 253 N HA -0.309 4.434 4.740 0.005 0.000 0.183 253 N C 1.806 177.310 175.510 -0.010 0.000 1.016 253 N CA 2.526 55.579 53.050 0.005 0.000 0.866 253 N CB -0.700 37.792 38.487 0.010 0.000 0.980 253 N HN -0.215 8.185 8.380 0.034 0.000 0.430 254 A N 0.664 123.475 122.820 -0.015 0.000 1.883 254 A HA -0.329 3.977 4.320 -0.024 0.000 0.217 254 A C 1.343 178.906 177.584 -0.035 0.000 1.186 254 A CA 3.306 55.327 52.037 -0.026 0.000 0.624 254 A CB -0.677 18.306 19.000 -0.029 0.000 0.822 254 A HN -0.128 8.017 8.150 -0.009 0.000 0.444 255 c N -1.658 116.914 118.600 -0.047 0.000 2.446 255 c HA -0.371 4.163 4.570 -0.061 0.000 0.277 255 c C 2.110 176.166 174.090 -0.057 0.000 1.275 255 c CA 3.202 59.492 56.329 -0.066 0.000 1.727 255 c CB -1.607 40.836 42.510 -0.111 0.000 2.010 255 c HN -0.642 7.561 8.230 -0.045 0.000 0.486 256 L N -1.951 119.246 121.223 -0.043 0.000 2.079 256 L HA -0.388 3.930 4.340 -0.037 0.000 0.210 256 L C 1.937 178.792 176.870 -0.026 0.000 1.081 256 L CA 2.614 57.435 54.840 -0.031 0.000 0.752 256 L CB -0.329 41.720 42.059 -0.016 0.000 0.896 256 L HN -0.154 8.053 8.230 -0.039 0.000 0.433 257 N N -4.893 113.792 118.700 -0.024 0.000 2.494 257 N HA -0.103 4.627 4.740 -0.018 0.000 0.182 257 N C -0.441 175.055 175.510 -0.023 0.000 1.076 257 N CA 1.006 54.043 53.050 -0.021 0.000 0.908 257 N CB 0.482 38.957 38.487 -0.019 0.000 0.967 257 N HN -0.568 7.772 8.380 -0.025 0.025 0.449 258 V N 0.341 120.239 119.914 -0.028 0.000 2.334 258 V HA 0.089 4.194 4.120 -0.025 0.000 0.281 258 V C 0.327 176.405 176.094 -0.027 0.000 1.016 258 V CA -1.473 60.811 62.300 -0.027 0.000 0.832 258 V CB 0.159 31.964 31.823 -0.030 0.000 0.999 258 V HN -0.735 7.380 8.190 -0.032 0.056 0.439 259 S N 8.594 124.280 115.700 -0.022 0.000 2.383 259 S HA -0.232 4.226 4.470 -0.021 0.000 0.229 259 S C 1.235 175.824 174.600 -0.019 0.000 1.030 259 S CA 2.776 60.964 58.200 -0.019 0.000 1.002 259 S CB -0.378 62.814 63.200 -0.014 0.000 0.829 259 S HN 0.711 9.009 8.310 -0.021 0.000 0.467 260 S N -2.750 112.940 115.700 -0.018 0.000 2.603 260 S HA -0.112 4.354 4.470 -0.007 0.000 0.220 260 S C -0.056 174.539 174.600 -0.009 0.000 0.967 260 S CA 0.074 58.266 58.200 -0.012 0.000 0.920 260 S CB 0.052 63.243 63.200 -0.016 0.000 0.773 260 S HN -0.126 8.153 8.310 -0.019 0.020 0.529 261 c N 5.055 123.640 118.600 -0.024 0.000 2.619 261 c HA 0.255 5.054 4.570 -0.014 -0.237 0.389 261 c C 1.679 175.726 174.090 -0.071 0.000 1.314 261 c CA -0.728 55.578 56.329 -0.038 0.000 1.678 261 c CB -1.218 41.258 42.510 -0.056 0.000 2.398 261 c HN -0.325 7.728 8.230 -0.028 0.160 0.582 262 V N 4.302 124.177 119.914 -0.066 0.000 2.951 262 V HA 0.228 4.289 4.120 -0.099 0.000 0.255 262 V C -0.941 174.906 176.094 -0.412 0.000 1.088 262 V CA 0.300 62.523 62.300 -0.129 0.000 1.109 262 V CB -0.095 31.740 31.823 0.020 0.000 0.724 262 V HN -0.028 8.155 8.190 -0.012 0.000 0.471 263 G N -3.196 105.292 108.800 -0.520 0.000 2.320 263 G HA2 0.332 3.910 3.960 -0.694 0.000 0.296 263 G HA3 0.332 3.319 3.960 -1.735 -0.069 0.296 263 G C -3.366 171.210 174.900 -0.540 0.000 1.306 263 G CA 0.404 44.967 45.100 -0.895 0.000 0.836 263 G HN -0.982 7.114 8.290 -0.324 0.000 0.517 264 I N -1.114 119.153 120.570 -0.505 0.000 2.582 264 I HA 0.574 4.828 4.170 -0.157 -0.178 0.292 264 I C -1.451 174.699 176.117 0.055 0.000 1.066 264 I CA -1.180 59.942 61.300 -0.296 0.000 1.053 264 I CB 4.471 42.044 38.000 -0.711 0.000 1.241 264 I HN -0.306 7.528 8.210 -0.628 0.000 0.421 265 T N 8.391 123.053 114.554 0.179 0.000 2.792 265 T HA 0.407 5.035 4.350 0.309 -0.092 0.280 265 T C -0.977 173.889 174.700 0.277 0.000 0.990 265 T CA -0.971 61.283 62.100 0.258 0.000 0.960 265 T CB 1.264 70.260 68.868 0.213 0.000 0.939 265 T HN 0.295 8.610 8.240 0.123 0.000 0.439 266 V N 0.605 120.709 119.914 0.317 0.000 2.567 266 V HA 0.389 4.887 4.120 0.388 -0.145 0.289 266 V C 0.018 176.296 176.094 0.306 0.000 1.049 266 V CA -3.142 59.370 62.300 0.353 0.000 0.969 266 V CB 1.400 33.466 31.823 0.406 0.000 0.995 266 V HN 0.593 8.966 8.190 0.304 0.000 0.471 267 W N 7.301 128.694 121.300 0.154 0.000 1.496 267 W HA -0.013 4.692 4.660 0.074 0.000 0.422 267 W C -0.963 175.653 176.519 0.161 0.000 0.638 267 W CA -0.261 57.176 57.345 0.154 0.000 2.105 267 W CB -0.517 29.108 29.460 0.276 0.000 1.639 267 W HN 0.137 8.640 8.180 0.537 0.000 0.304 268 G N 1.099 109.831 108.800 -0.114 0.000 2.381 268 G HA2 -0.268 3.685 3.960 -0.252 0.000 0.672 268 G HA3 -0.268 3.652 3.960 -0.066 0.000 0.672 268 G C -2.204 172.664 174.900 -0.053 0.000 1.324 268 G CA -0.912 44.107 45.100 -0.134 0.000 0.975 268 G HN -0.475 7.661 8.290 -0.136 0.073 0.593 269 V N -0.362 119.522 119.914 -0.050 0.000 2.502 269 V HA 0.055 4.192 4.120 0.028 0.000 0.234 269 V C -0.763 175.409 176.094 0.129 0.000 1.072 269 V CA 1.845 64.150 62.300 0.009 0.000 1.094 269 V CB 1.110 32.892 31.823 -0.067 0.000 0.761 269 V HN 0.419 8.568 8.190 -0.069 0.000 0.489 270 A N -4.746 118.105 122.820 0.051 0.000 2.324 270 A HA 0.230 4.783 4.320 0.071 -0.190 0.330 270 A C 0.298 177.855 177.584 -0.045 0.000 1.165 270 A CA -2.075 49.943 52.037 -0.032 0.000 0.813 270 A CB 2.414 21.189 19.000 -0.374 0.000 1.197 270 A HN -0.507 7.658 8.150 0.026 0.000 0.484 271 D N 4.561 124.943 120.400 -0.031 0.000 2.157 271 D HA -0.280 4.367 4.640 0.012 0.000 0.191 271 D C 0.288 176.557 176.300 -0.051 0.000 1.004 271 D CA 5.183 59.169 54.000 -0.024 0.000 0.854 271 D CB -2.325 38.458 40.800 -0.029 0.000 0.936 271 D HN 0.094 8.451 8.370 -0.021 0.000 0.446 272 P HA -0.100 4.285 4.420 -0.057 0.000 0.225 272 P C -0.299 176.976 177.300 -0.040 0.000 1.148 272 P CA 1.319 64.376 63.100 -0.070 0.000 0.779 272 P CB -0.437 31.206 31.700 -0.095 0.000 0.780 273 D N -2.979 117.401 120.400 -0.034 0.000 2.339 273 D HA 0.102 4.745 4.640 0.006 0.000 0.217 273 D C -0.596 175.728 176.300 0.040 0.000 1.050 273 D CA 0.219 54.218 54.000 -0.001 0.000 0.856 273 D CB 0.113 40.907 40.800 -0.009 0.000 0.922 273 D HN -0.358 7.924 8.370 -0.054 0.055 0.518 274 S N -0.266 115.459 115.700 0.041 0.000 2.585 274 S HA -0.012 4.569 4.470 0.185 0.000 0.273 274 S C 1.815 176.484 174.600 0.115 0.000 1.339 274 S CA 0.027 58.286 58.200 0.099 0.000 1.028 274 S CB 1.200 64.405 63.200 0.009 0.000 0.906 274 S HN -0.627 7.521 8.310 0.011 0.168 0.528 275 W N 3.286 124.661 121.300 0.125 0.000 2.468 275 W HA -0.097 4.613 4.660 0.083 0.000 0.262 275 W C -0.817 175.740 176.519 0.062 0.000 1.241 275 W CA 0.520 57.926 57.345 0.103 0.000 1.232 275 W CB -0.314 29.233 29.460 0.145 0.000 1.124 275 W HN 0.245 8.788 8.180 0.605 0.000 0.597 276 R N -4.005 116.032 120.500 -0.770 0.000 2.782 276 R HA 0.448 4.510 4.340 -0.464 0.000 0.293 276 R C -0.748 175.343 176.300 -0.347 0.000 1.333 276 R CA -1.539 54.148 56.100 -0.688 0.000 1.479 276 R CB -0.595 29.037 30.300 -1.114 0.000 1.306 276 R HN -0.537 7.229 8.270 -0.768 0.043 0.654 277 A N 2.871 125.577 122.820 -0.190 0.000 1.986 277 A HA -0.238 4.140 4.320 -0.093 -0.114 0.220 277 A C 1.762 179.290 177.584 -0.093 0.000 1.171 277 A CA 2.937 54.911 52.037 -0.105 0.000 0.640 277 A CB -0.510 18.454 19.000 -0.059 0.000 0.811 277 A HN 0.250 8.302 8.150 -0.162 0.000 0.451 278 S N -2.583 113.056 115.700 -0.101 0.000 2.474 278 S HA -0.173 4.263 4.470 -0.057 0.000 0.235 278 S C 1.356 175.913 174.600 -0.072 0.000 0.997 278 S CA 2.120 60.276 58.200 -0.073 0.000 0.949 278 S CB -1.159 62.002 63.200 -0.065 0.000 0.766 278 S HN 0.361 8.569 8.310 -0.119 0.031 0.517 279 T N -2.164 112.331 114.554 -0.099 0.000 3.144 279 T HA 0.220 4.538 4.350 -0.053 0.000 0.249 279 T C -0.043 174.634 174.700 -0.038 0.000 1.089 279 T CA -0.614 61.442 62.100 -0.073 0.000 0.989 279 T CB 0.317 69.121 68.868 -0.106 0.000 0.992 279 T HN -0.495 7.616 8.240 -0.136 0.048 0.540 280 T N -0.946 113.587 114.554 -0.035 0.000 3.361 280 T HA -0.343 4.070 4.350 -0.010 -0.068 0.417 280 T C -1.712 173.014 174.700 0.044 0.000 0.769 280 T CA 0.037 62.135 62.100 -0.003 0.000 2.085 280 T CB -0.791 68.077 68.868 -0.000 0.000 1.689 280 T HN -0.173 7.855 8.240 -0.052 0.181 0.639 281 P HA 0.471 5.140 4.420 0.141 -0.165 0.268 281 P C -1.265 176.198 177.300 0.272 0.000 1.329 281 P CA -0.119 63.063 63.100 0.136 0.000 0.899 281 P CB 1.102 32.843 31.700 0.069 0.000 1.378 282 L N -1.085 120.268 121.223 0.216 0.000 2.421 282 L HA 0.419 4.971 4.340 0.353 0.000 0.267 282 L C 0.998 177.948 176.870 0.135 0.000 1.036 282 L CA -2.098 52.889 54.840 0.246 0.000 0.829 282 L CB 2.593 44.774 42.059 0.204 0.000 1.437 282 L HN -0.119 8.445 8.230 0.149 -0.245 0.488 283 L N -2.420 118.874 121.223 0.119 0.000 2.529 283 L HA 0.082 4.311 4.340 -0.185 0.000 0.223 283 L C -0.632 176.094 176.870 -0.240 0.000 1.113 283 L CA 1.274 56.075 54.840 -0.065 0.000 0.861 283 L CB 0.399 42.480 42.059 0.036 0.000 1.012 283 L HN 0.504 8.872 8.230 0.230 0.000 0.461 284 F N -3.035 116.929 119.950 0.022 0.000 2.532 284 F HA 0.606 5.273 4.527 -0.034 -0.160 0.321 284 F C -1.106 174.658 175.800 -0.060 0.000 1.089 284 F CA -1.923 56.066 58.000 -0.018 0.000 0.926 284 F CB 3.388 42.401 39.000 0.022 0.000 1.168 284 F HN -0.810 7.679 8.300 0.315 0.000 0.459 285 D N 0.383 120.816 120.400 0.056 0.000 2.478 285 D HA 0.316 5.113 4.640 -0.026 -0.173 0.269 285 D C 1.861 178.084 176.300 -0.129 0.000 1.232 285 D CA -2.215 51.769 54.000 -0.027 0.000 1.059 285 D CB 0.917 41.701 40.800 -0.028 0.000 1.104 285 D HN 0.038 8.446 8.370 0.064 0.000 0.566 286 G N -3.323 105.392 108.800 -0.142 0.000 2.559 286 G HA2 -0.318 3.449 3.960 -0.322 0.000 0.216 286 G HA3 -0.318 3.546 3.960 -0.160 0.000 0.216 286 G C 0.400 175.144 174.900 -0.260 0.000 1.126 286 G CA 1.952 46.914 45.100 -0.231 0.000 0.778 286 G HN 0.499 8.733 8.290 -0.094 0.000 0.543 287 N N -0.051 118.572 118.700 -0.129 0.000 2.235 287 N HA 0.073 4.824 4.740 0.018 0.000 0.209 287 N C -1.021 174.575 175.510 0.144 0.000 1.122 287 N CA -1.583 51.467 53.050 0.000 0.000 0.845 287 N CB 0.646 39.154 38.487 0.034 0.000 1.004 287 N HN -0.474 8.023 8.380 -0.091 -0.172 0.499 288 F N -6.713 113.279 119.950 0.070 0.000 3.057 288 F HA -0.472 4.137 4.527 0.137 0.000 0.287 288 F C -0.704 175.209 175.800 0.188 0.000 0.834 288 F CA 1.516 59.577 58.000 0.102 0.000 1.147 288 F CB -2.835 36.172 39.000 0.011 0.000 1.245 288 F HN -0.164 7.824 8.300 -0.253 0.161 0.509 289 N N -0.160 118.691 118.700 0.252 0.000 2.456 289 N HA 0.455 5.315 4.740 0.199 0.000 0.296 289 N C -2.428 173.100 175.510 0.030 0.000 1.102 289 N CA -1.670 51.478 53.050 0.162 0.000 0.924 289 N CB 1.178 39.701 38.487 0.059 0.000 1.186 289 N HN -0.529 8.212 8.380 0.163 -0.263 0.492 290 P HA 0.021 3.777 4.420 -1.315 -0.126 0.268 290 P C -0.790 176.308 177.300 -0.336 0.000 1.205 290 P CA -0.128 62.554 63.100 -0.696 0.000 0.771 290 P CB 0.648 31.917 31.700 -0.718 0.000 0.858 291 K N 2.876 123.078 120.400 -0.330 0.000 2.090 291 K HA 0.288 4.538 4.320 -0.117 0.000 0.249 291 K C -0.328 176.210 176.600 -0.103 0.000 0.995 291 K CA -2.049 54.144 56.287 -0.157 0.000 0.914 291 K CB -0.613 31.813 32.500 -0.124 0.000 1.057 291 K HN 0.019 7.984 8.250 -0.475 0.000 0.462 292 P HA -0.266 4.136 4.420 -0.030 0.000 0.217 292 P C 0.548 177.827 177.300 -0.036 0.000 1.148 292 P CA 2.662 65.743 63.100 -0.032 0.000 0.828 292 P CB -0.155 31.537 31.700 -0.014 0.000 0.783 293 A N -3.414 119.374 122.820 -0.052 0.000 1.972 293 A HA -0.195 4.110 4.320 -0.026 0.000 0.219 293 A C 1.702 179.193 177.584 -0.155 0.000 1.169 293 A CA 2.393 54.381 52.037 -0.081 0.000 0.635 293 A CB -0.811 18.118 19.000 -0.117 0.000 0.810 293 A HN 0.174 8.275 8.150 -0.051 0.018 0.446 294 Y N -0.151 119.972 120.300 -0.294 0.000 2.145 294 Y HA -0.496 3.858 4.550 -0.326 0.000 0.286 294 Y C 1.610 177.381 175.900 -0.214 0.000 1.145 294 Y CA 4.217 62.127 58.100 -0.317 0.000 1.148 294 Y CB 0.091 38.273 38.460 -0.463 0.000 0.981 294 Y HN -0.538 7.689 8.280 -0.089 0.000 0.507 295 N N -1.583 117.121 118.700 0.007 0.000 2.244 295 N HA -0.411 4.328 4.740 -0.001 0.000 0.183 295 N C 2.144 177.610 175.510 -0.073 0.000 1.016 295 N CA 2.869 55.909 53.050 -0.017 0.000 0.866 295 N CB -0.622 37.870 38.487 0.009 0.000 0.980 295 N HN -0.656 7.748 8.380 0.039 0.000 0.430 296 A N 0.641 123.421 122.820 -0.067 0.000 1.930 296 A HA -0.227 4.074 4.320 -0.033 0.000 0.217 296 A C 1.821 179.367 177.584 -0.064 0.000 1.175 296 A CA 2.996 55.005 52.037 -0.045 0.000 0.627 296 A CB -0.473 18.521 19.000 -0.010 0.000 0.815 296 A HN -0.091 8.023 8.150 -0.060 0.000 0.443 297 I N -1.468 119.028 120.570 -0.124 0.000 2.179 297 I HA -0.608 3.541 4.170 -0.035 0.000 0.242 297 I C 1.891 177.911 176.117 -0.162 0.000 1.088 297 I CA 4.170 65.395 61.300 -0.125 0.000 1.357 297 I CB 0.000 37.886 38.000 -0.191 0.000 1.051 297 I HN -0.604 7.509 8.210 -0.160 0.000 0.409 298 V N -0.231 119.523 119.914 -0.267 0.000 2.282 298 V HA -0.649 3.344 4.120 -0.212 0.000 0.249 298 V C 1.761 177.799 176.094 -0.093 0.000 1.057 298 V CA 4.727 66.909 62.300 -0.197 0.000 1.032 298 V CB -0.365 31.348 31.823 -0.182 0.000 0.645 298 V HN -0.373 7.606 8.190 -0.351 0.000 0.447 299 Q N -1.603 118.155 119.800 -0.070 0.000 2.119 299 Q HA -0.265 4.215 4.340 -0.032 -0.160 0.201 299 Q C 2.170 178.155 176.000 -0.025 0.000 0.972 299 Q CA 2.601 58.383 55.803 -0.036 0.000 0.847 299 Q CB -0.376 28.346 28.738 -0.026 0.000 0.903 299 Q HN -0.349 7.873 8.270 -0.080 0.000 0.433 300 N N -0.277 118.409 118.700 -0.023 0.000 2.166 300 N HA -0.188 4.551 4.740 -0.002 0.000 0.186 300 N C 1.877 177.386 175.510 -0.002 0.000 1.019 300 N CA 2.837 55.884 53.050 -0.005 0.000 0.856 300 N CB 0.251 38.743 38.487 0.009 0.000 0.993 300 N HN -0.544 7.817 8.380 -0.032 0.000 0.426 301 L N -2.636 118.581 121.223 -0.009 0.000 2.341 301 L HA -0.157 4.189 4.340 0.010 0.000 0.214 301 L C 1.527 178.393 176.870 -0.006 0.000 1.115 301 L CA 1.290 56.129 54.840 -0.000 0.000 0.820 301 L CB -0.102 41.959 42.059 0.003 0.000 0.944 301 L HN -0.511 7.683 8.230 -0.024 0.022 0.452 302 Q N 0.000 119.791 119.800 -0.015 0.000 2.315 302 Q HA 0.000 4.334 4.340 -0.011 0.000 0.214 302 Q CA 0.000 55.796 55.803 -0.011 0.000 1.022 302 Q CB 0.000 28.729 28.738 -0.014 0.000 1.108 302 Q HN 0.000 8.258 8.270 -0.021 0.000 0.481