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 2kxh_1_A DATA FIRST_RESID 99 DATA SEQUENCE GAMAQRQRAL AIMCRVYVGS IYYELGEDTI RQAFAPFGPI KSIDMSWDSV DATA SEQUENCE TMKHKGFAFV EYEVPEAAQL ALEQMNSVML GGRNIKVGRP SNIGQAQPII DATA SEQUENCE DQLAEEARAF NRIYVASVHQ DLSDDDIKSV FEAFGKIKSC TLARDPTTGK DATA SEQUENCE HKGYGFIEYE KAQSSQDAVS SMNLFDLGGQ YLRVGKAVTP PMPLLTPAT 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 99 G HA2 0.000 nan 3.960 nan 0.000 0.244 99 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 99 G C 0.000 174.899 174.900 -0.001 0.000 0.946 99 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 100 A N 2.103 124.922 122.820 -0.002 0.000 2.286 100 A HA 0.294 4.613 4.320 -0.002 0.000 0.286 100 A C 0.219 177.801 177.584 -0.004 0.000 1.097 100 A CA -0.594 51.442 52.037 -0.002 0.000 0.821 100 A CB 0.994 19.993 19.000 -0.003 0.000 1.076 100 A HN -0.074 8.074 8.150 -0.002 0.000 0.490 101 M N -0.499 119.098 119.600 -0.004 0.000 3.691 101 M HA -0.178 4.297 4.480 -0.007 0.000 0.163 101 M C -1.229 175.067 176.300 -0.006 0.000 1.457 101 M CA -0.338 54.958 55.300 -0.006 0.000 0.984 101 M CB 0.207 32.802 32.600 -0.009 0.000 1.313 101 M HN 0.037 8.325 8.290 -0.004 0.000 0.471 102 A N 4.291 127.109 122.820 -0.004 0.000 2.666 102 A HA 0.060 4.378 4.320 -0.002 0.000 0.301 102 A C -0.076 177.506 177.584 -0.003 0.000 1.470 102 A CA 0.118 52.154 52.037 -0.002 0.000 1.159 102 A CB -0.716 18.285 19.000 0.001 0.000 1.116 102 A HN 0.380 8.528 8.150 -0.003 0.000 0.548 103 Q N 2.833 122.630 119.800 -0.005 0.000 2.349 103 Q HA -0.116 4.220 4.340 -0.007 0.000 0.209 103 Q C 0.432 176.431 176.000 -0.003 0.000 0.920 103 Q CA -0.477 55.322 55.803 -0.006 0.000 0.901 103 Q CB 0.485 29.217 28.738 -0.010 0.000 1.021 103 Q HN -0.042 8.225 8.270 -0.005 0.000 0.519 104 R N 0.362 120.861 120.500 -0.002 0.000 2.974 104 R HA -0.360 3.979 4.340 -0.001 0.000 0.258 104 R C -1.265 175.035 176.300 -0.000 0.000 0.892 104 R CA 0.413 56.513 56.100 -0.000 0.000 0.664 104 R CB -1.520 28.781 30.300 0.001 0.000 1.478 104 R HN 0.127 8.396 8.270 -0.002 0.000 0.498 105 Q N -2.568 117.231 119.800 -0.001 0.000 2.422 105 Q HA -0.348 3.991 4.340 -0.001 0.000 0.313 105 Q C -0.029 175.970 176.000 -0.001 0.000 1.308 105 Q CA 0.479 56.282 55.803 -0.000 0.000 0.841 105 Q CB -0.378 28.361 28.738 0.001 0.000 0.948 105 Q HN 0.190 8.460 8.270 -0.001 0.000 0.307 106 R N 2.806 123.303 120.500 -0.004 0.000 2.139 106 R HA -0.405 3.929 4.340 -0.009 0.000 0.243 106 R C 1.428 177.725 176.300 -0.005 0.000 1.145 106 R CA 3.167 59.262 56.100 -0.008 0.000 0.976 106 R CB -0.142 30.151 30.300 -0.012 0.000 0.866 106 R HN 0.505 8.772 8.270 -0.005 0.000 0.449 107 A N -2.149 120.670 122.820 -0.001 0.000 1.883 107 A HA -0.195 4.125 4.320 0.001 0.000 0.217 107 A C 2.100 179.688 177.584 0.007 0.000 1.186 107 A CA 2.744 54.782 52.037 0.002 0.000 0.624 107 A CB -1.071 17.931 19.000 0.003 0.000 0.822 107 A HN 0.215 8.340 8.150 -0.002 0.024 0.444 108 L N -1.072 120.155 121.223 0.007 0.000 2.109 108 L HA -0.215 4.132 4.340 0.013 0.000 0.207 108 L C 1.712 178.591 176.870 0.016 0.000 1.086 108 L CA 2.176 57.023 54.840 0.011 0.000 0.760 108 L CB -0.391 41.672 42.059 0.007 0.000 0.910 108 L HN -0.553 7.594 8.230 0.005 0.085 0.437 109 A N -0.400 122.426 122.820 0.010 0.000 1.908 109 A HA -0.383 3.945 4.320 0.015 0.000 0.218 109 A C 1.955 179.547 177.584 0.013 0.000 1.181 109 A CA 3.184 55.227 52.037 0.009 0.000 0.627 109 A CB -0.422 18.576 19.000 -0.003 0.000 0.818 109 A HN -0.295 7.858 8.150 0.005 0.000 0.445 110 I N -6.999 113.578 120.570 0.011 0.000 2.500 110 I HA -0.348 3.832 4.170 0.016 0.000 0.252 110 I C 2.000 178.144 176.117 0.046 0.000 1.142 110 I CA 2.728 64.040 61.300 0.020 0.000 1.451 110 I CB -0.005 38.000 38.000 0.009 0.000 1.093 110 I HN -0.535 7.679 8.210 0.006 0.000 0.430 111 M N 1.052 120.675 119.600 0.039 0.000 2.279 111 M HA -0.333 4.177 4.480 0.050 0.000 0.264 111 M C 1.805 178.145 176.300 0.067 0.000 1.062 111 M CA 3.920 59.248 55.300 0.045 0.000 1.099 111 M CB -0.209 32.407 32.600 0.027 0.000 1.394 111 M HN -0.331 7.902 8.290 0.027 0.073 0.426 112 C N -4.250 115.095 119.300 0.075 0.000 2.576 112 C HA -0.124 4.412 4.460 0.127 0.000 0.267 112 C C -1.660 173.435 174.990 0.175 0.000 1.364 112 C CA 0.918 60.008 59.018 0.121 0.000 1.723 112 C CB -0.652 27.144 27.740 0.093 0.000 1.778 112 C HN -0.358 7.875 8.230 0.056 0.031 0.572 113 R N 1.026 121.600 120.500 0.123 0.000 2.422 113 R HA 0.573 5.132 4.340 0.044 -0.192 0.307 113 R C -1.324 175.060 176.300 0.141 0.000 1.004 113 R CA -1.281 54.877 56.100 0.096 0.000 0.882 113 R CB 2.144 32.481 30.300 0.063 0.000 1.164 113 R HN -0.447 7.677 8.270 0.103 0.207 0.489 114 V N 3.238 123.214 119.914 0.104 0.000 2.567 114 V HA 0.322 4.519 4.120 0.128 0.000 0.289 114 V C -1.674 174.444 176.094 0.040 0.000 1.049 114 V CA -2.138 60.211 62.300 0.082 0.000 0.969 114 V CB 1.648 33.487 31.823 0.026 0.000 0.995 114 V HN 0.646 8.859 8.190 0.039 0.000 0.471 115 Y N 7.208 127.457 120.300 -0.085 0.000 2.316 115 Y HA 0.209 4.535 4.550 -0.566 -0.116 0.331 115 Y C -1.439 174.279 175.900 -0.304 0.000 1.083 115 Y CA -0.658 57.245 58.100 -0.327 0.000 1.206 115 Y CB 0.865 39.146 38.460 -0.298 0.000 1.195 115 Y HN 0.272 8.669 8.280 0.196 0.000 0.497 116 V N 8.733 128.048 119.914 -0.998 0.000 2.334 116 V HA 0.316 4.246 4.120 -0.508 -0.115 0.281 116 V C -1.379 174.121 176.094 -0.991 0.000 1.016 116 V CA -1.024 60.823 62.300 -0.755 0.000 0.832 116 V CB 0.739 32.272 31.823 -0.483 0.000 0.999 116 V HN 0.855 8.385 8.190 -1.099 0.000 0.439 117 G N 4.578 112.955 108.800 -0.705 0.000 2.473 117 G HA2 0.556 4.270 3.960 -0.411 0.000 0.321 117 G HA3 0.556 4.404 3.960 -0.186 0.000 0.321 117 G C -1.347 173.481 174.900 -0.119 0.000 1.200 117 G CA -1.718 43.153 45.100 -0.382 0.000 0.963 117 G HN 0.169 8.181 8.290 -0.464 0.000 0.483 118 S N -1.143 114.538 115.700 -0.032 0.000 3.858 118 S HA -0.386 4.112 4.470 0.048 0.000 0.356 118 S C -0.590 174.027 174.600 0.029 0.000 1.013 118 S CA 0.775 58.989 58.200 0.025 0.000 1.083 118 S CB -1.660 61.565 63.200 0.043 0.000 0.883 118 S HN 0.638 8.940 8.310 -0.014 0.000 0.475 119 I N -0.142 120.426 120.570 -0.003 0.000 2.668 119 I HA -0.215 3.937 4.170 -0.031 0.000 0.285 119 I C 1.088 177.279 176.117 0.123 0.000 1.168 119 I CA 0.442 61.731 61.300 -0.019 0.000 1.424 119 I CB 0.009 37.892 38.000 -0.195 0.000 1.377 119 I HN -0.026 8.171 8.210 -0.021 0.000 0.560 120 Y N 10.456 130.775 120.300 0.033 0.000 1.978 120 Y HA -0.479 4.133 4.550 0.104 0.000 0.247 120 Y C -0.114 175.958 175.900 0.287 0.000 1.102 120 Y CA 3.513 61.683 58.100 0.117 0.000 1.069 120 Y CB 0.338 38.847 38.460 0.082 0.000 0.954 120 Y HN 0.387 8.791 8.280 0.206 0.000 0.488 121 Y N -7.151 113.106 120.300 -0.071 0.000 3.065 121 Y HA -0.148 4.502 4.550 0.168 0.000 0.174 121 Y C -0.441 175.592 175.900 0.222 0.000 1.014 121 Y CA 1.209 59.280 58.100 -0.050 0.000 1.733 121 Y CB 0.164 38.337 38.460 -0.479 0.000 1.343 121 Y HN -0.352 8.157 8.280 0.382 0.000 0.331 122 E N -0.262 120.146 120.200 0.347 0.000 2.403 122 E HA 0.054 4.496 4.350 0.153 0.000 0.187 122 E C -1.382 175.354 176.600 0.227 0.000 1.073 122 E CA 0.474 57.042 56.400 0.280 0.000 0.888 122 E CB -1.005 28.901 29.700 0.344 0.000 1.035 122 E HN 0.219 8.852 8.360 0.455 0.000 0.471 123 L N -6.647 114.690 121.223 0.189 0.000 2.401 123 L HA 0.397 4.788 4.340 0.084 0.000 0.266 123 L C -1.529 175.261 176.870 -0.134 0.000 0.991 123 L CA -1.410 53.468 54.840 0.064 0.000 0.818 123 L CB 2.622 44.723 42.059 0.070 0.000 1.321 123 L HN -1.004 7.249 8.230 0.221 0.110 0.413 124 G N -0.605 108.153 108.800 -0.070 0.000 3.183 124 G HA2 0.475 4.153 3.960 -0.470 0.000 0.247 124 G HA3 0.475 4.450 3.960 0.025 0.000 0.247 124 G C -0.805 174.051 174.900 -0.073 0.000 1.211 124 G CA -0.118 44.884 45.100 -0.163 0.000 0.835 124 G HN -0.604 7.698 8.290 0.021 0.000 0.604 125 E N -0.206 119.985 120.200 -0.015 0.000 2.160 125 E HA -0.467 3.851 4.350 -0.052 0.000 0.195 125 E C 1.383 178.027 176.600 0.074 0.000 0.991 125 E CA 3.291 59.705 56.400 0.023 0.000 0.810 125 E CB -0.212 29.549 29.700 0.102 0.000 0.742 125 E HN 0.299 8.670 8.360 0.019 0.000 0.466 126 D N -2.169 118.303 120.400 0.121 0.000 2.117 126 D HA -0.198 4.492 4.640 0.084 0.000 0.197 126 D C 1.875 178.213 176.300 0.063 0.000 0.987 126 D CA 3.301 57.357 54.000 0.093 0.000 0.829 126 D CB -0.208 40.653 40.800 0.103 0.000 0.961 126 D HN 0.410 8.873 8.370 0.186 0.019 0.460 127 T N 2.258 116.844 114.554 0.053 0.000 2.894 127 T HA -0.090 4.282 4.350 0.035 0.000 0.258 127 T C 1.912 176.634 174.700 0.037 0.000 1.043 127 T CA 3.745 65.866 62.100 0.036 0.000 1.141 127 T CB 0.186 69.072 68.868 0.030 0.000 0.873 127 T HN -0.665 7.506 8.240 0.056 0.103 0.449 128 I N 1.766 122.364 120.570 0.047 0.000 2.286 128 I HA -0.554 3.712 4.170 0.160 0.000 0.248 128 I C 1.091 177.325 176.117 0.194 0.000 1.115 128 I CA 3.987 65.367 61.300 0.133 0.000 1.392 128 I CB -0.375 37.666 38.000 0.068 0.000 1.065 128 I HN 0.600 8.713 8.210 0.019 0.108 0.418 129 R N -0.856 119.704 120.500 0.100 0.000 2.091 129 R HA -0.493 3.903 4.340 0.094 0.000 0.238 129 R C 1.006 177.378 176.300 0.119 0.000 1.136 129 R CA 3.542 59.700 56.100 0.097 0.000 0.959 129 R CB -0.099 30.238 30.300 0.062 0.000 0.856 129 R HN -0.447 7.852 8.270 0.065 0.010 0.437 130 Q N -3.962 115.886 119.800 0.080 0.000 2.187 130 Q HA -0.126 4.258 4.340 0.074 0.000 0.199 130 Q C 2.721 178.740 176.000 0.032 0.000 0.957 130 Q CA 1.996 57.834 55.803 0.058 0.000 0.857 130 Q CB 0.300 29.057 28.738 0.032 0.000 0.929 130 Q HN -0.669 7.538 8.270 0.066 0.103 0.453 131 A N 0.859 123.658 122.820 -0.034 0.000 1.972 131 A HA -0.160 4.059 4.320 -0.168 0.000 0.219 131 A C 0.730 178.053 177.584 -0.435 0.000 1.169 131 A CA 2.608 54.498 52.037 -0.246 0.000 0.635 131 A CB -0.186 18.576 19.000 -0.396 0.000 0.810 131 A HN -0.137 7.936 8.150 0.006 0.080 0.446 132 F N -6.182 113.717 119.950 -0.086 0.000 2.639 132 F HA 0.053 4.198 4.527 -0.636 0.000 0.302 132 F C -0.020 175.902 175.800 0.204 0.000 1.097 132 F CA -0.651 57.246 58.000 -0.171 0.000 1.294 132 F CB 0.109 39.032 39.000 -0.128 0.000 1.027 132 F HN -0.618 7.759 8.300 0.159 0.019 0.550 133 A N 1.562 124.564 122.820 0.304 0.000 1.898 133 A HA 0.033 4.531 4.320 0.297 0.000 0.216 133 A C -0.962 176.812 177.584 0.317 0.000 1.181 133 A CA 3.046 55.250 52.037 0.278 0.000 0.620 133 A CB -2.385 16.712 19.000 0.163 0.000 0.819 133 A HN -0.554 7.508 8.150 0.195 0.205 0.442 134 P HA -0.104 4.420 4.420 0.174 0.000 0.225 134 P C 0.157 177.619 177.300 0.270 0.000 1.148 134 P CA 1.647 64.898 63.100 0.251 0.000 0.779 134 P CB 0.022 31.829 31.700 0.178 0.000 0.780 135 F N -0.616 119.408 119.950 0.124 0.000 2.085 135 F HA -0.126 4.439 4.527 0.065 0.000 0.284 135 F C 0.259 176.044 175.800 -0.025 0.000 1.127 135 F CA 3.033 61.069 58.000 0.060 0.000 1.164 135 F CB 0.453 39.477 39.000 0.040 0.000 1.035 135 F HN -0.774 7.855 8.300 0.853 0.183 0.481 136 G N -6.198 102.763 108.800 0.269 0.000 2.704 136 G HA2 0.457 4.396 3.960 -0.036 0.000 0.293 136 G HA3 0.457 4.427 3.960 0.016 0.000 0.293 136 G C -3.337 171.819 174.900 0.425 0.000 1.421 136 G CA -1.623 43.573 45.100 0.160 0.000 0.870 136 G HN -0.672 7.903 8.290 0.475 0.000 0.492 137 P HA 0.064 4.637 4.420 0.254 0.000 0.267 137 P C -1.037 176.391 177.300 0.213 0.000 1.205 137 P CA -0.508 62.761 63.100 0.282 0.000 0.765 137 P CB 0.682 32.544 31.700 0.271 0.000 0.828 138 I N 3.211 123.856 120.570 0.125 0.000 2.578 138 I HA -0.226 3.999 4.170 -0.114 -0.123 0.286 138 I C 0.594 176.717 176.117 0.011 0.000 1.126 138 I CA -0.916 60.384 61.300 -0.001 0.000 1.380 138 I CB -1.860 36.132 38.000 -0.014 0.000 1.408 138 I HN 0.107 8.400 8.210 0.138 0.000 0.532 139 K N 9.606 129.997 120.400 -0.014 0.000 2.067 139 K HA -0.088 4.257 4.320 0.041 0.000 0.203 139 K C -0.115 176.481 176.600 -0.007 0.000 1.048 139 K CA 0.793 57.088 56.287 0.014 0.000 0.954 139 K CB 0.855 33.372 32.500 0.027 0.000 0.737 139 K HN 0.943 9.046 8.250 -0.072 0.104 0.444 140 S N -3.541 112.134 115.700 -0.041 0.000 2.552 140 S HA 0.203 4.665 4.470 -0.013 0.000 0.272 140 S C -2.468 172.103 174.600 -0.049 0.000 1.150 140 S CA -0.149 58.034 58.200 -0.029 0.000 0.849 140 S CB 3.096 66.286 63.200 -0.017 0.000 1.113 140 S HN -0.693 7.569 8.310 -0.081 0.000 0.458 141 I N 1.719 122.278 120.570 -0.018 0.000 2.478 141 I HA 0.570 4.971 4.170 -0.019 -0.242 0.287 141 I C -0.969 175.172 176.117 0.040 0.000 1.042 141 I CA -0.928 60.367 61.300 -0.007 0.000 1.067 141 I CB 3.484 41.470 38.000 -0.024 0.000 1.233 141 I HN 0.305 8.513 8.210 -0.002 0.000 0.431 142 D N 9.175 129.640 120.400 0.110 0.000 2.441 142 D HA 0.176 4.866 4.640 0.084 0.000 0.221 142 D C -1.496 174.915 176.300 0.184 0.000 1.156 142 D CA 0.133 54.229 54.000 0.160 0.000 0.896 142 D CB 0.417 41.319 40.800 0.170 0.000 1.028 142 D HN 0.005 8.468 8.370 0.155 0.000 0.509 143 M N 4.526 124.150 119.600 0.040 0.000 2.472 143 M HA 0.216 4.600 4.480 -0.161 0.000 0.331 143 M C -0.607 175.583 176.300 -0.183 0.000 1.170 143 M CA -1.051 54.176 55.300 -0.121 0.000 1.009 143 M CB 3.042 35.546 32.600 -0.161 0.000 1.672 143 M HN -0.112 8.206 8.290 0.048 0.000 0.453 144 S N 6.093 121.564 115.700 -0.382 0.000 2.328 144 S HA 0.235 4.569 4.470 -0.227 0.000 0.204 144 S C -1.496 172.909 174.600 -0.326 0.000 1.475 144 S CA -0.320 57.654 58.200 -0.377 0.000 1.148 144 S CB -0.247 62.542 63.200 -0.685 0.000 1.077 144 S HN 0.208 8.234 8.310 -0.473 0.000 0.479 145 W N 4.077 125.324 121.300 -0.089 0.000 2.388 145 W HA -0.085 4.550 4.660 -0.042 0.000 0.308 145 W C -1.011 175.467 176.519 -0.069 0.000 1.263 145 W CA 0.089 57.399 57.345 -0.059 0.000 1.286 145 W CB 0.794 30.230 29.460 -0.040 0.000 1.294 145 W HN 0.077 8.302 8.180 0.075 0.000 0.493 146 D N 5.067 125.574 120.400 0.178 0.000 2.317 146 D HA 0.083 4.758 4.640 0.058 0.000 0.234 146 D C -0.709 175.645 176.300 0.089 0.000 1.112 146 D CA -0.442 53.606 54.000 0.080 0.000 0.840 146 D CB 1.560 42.367 40.800 0.012 0.000 1.078 146 D HN 0.120 8.598 8.370 0.180 0.000 0.486 147 S N 2.365 118.100 115.700 0.058 0.000 3.662 147 S HA -0.295 4.185 4.470 0.016 0.000 0.787 147 S C 1.477 176.085 174.600 0.012 0.000 1.315 147 S CA -0.298 57.918 58.200 0.027 0.000 1.186 147 S CB 0.585 63.792 63.200 0.012 0.000 0.500 147 S HN 0.194 8.537 8.310 0.054 0.000 0.528 148 V N 3.372 123.274 119.914 -0.020 0.000 2.720 148 V HA -0.285 3.785 4.120 -0.082 0.000 0.256 148 V C 0.512 176.563 176.094 -0.073 0.000 1.082 148 V CA 2.274 64.540 62.300 -0.058 0.000 1.101 148 V CB -0.112 31.679 31.823 -0.052 0.000 0.693 148 V HN 0.508 8.688 8.190 -0.015 0.000 0.479 149 T N 0.198 114.727 114.554 -0.041 0.000 2.881 149 T HA -0.227 4.093 4.350 -0.051 0.000 0.270 149 T C -0.103 174.567 174.700 -0.050 0.000 1.068 149 T CA 1.525 63.599 62.100 -0.043 0.000 1.131 149 T CB 0.572 69.423 68.868 -0.027 0.000 0.871 149 T HN -0.727 7.447 8.240 -0.023 0.052 0.479 150 M N -2.433 117.159 119.600 -0.014 0.000 2.427 150 M HA -0.374 4.263 4.480 0.262 0.000 0.204 150 M C -1.020 175.428 176.300 0.246 0.000 0.413 150 M CA 1.078 56.412 55.300 0.057 0.000 0.507 150 M CB -2.329 30.073 32.600 -0.330 0.000 1.823 150 M HN -0.675 7.586 8.290 0.010 0.034 0.859 151 K N -3.004 117.435 120.400 0.065 0.000 2.437 151 K HA 0.103 4.202 4.320 -0.368 0.000 0.198 151 K C -0.544 175.685 176.600 -0.619 0.000 1.024 151 K CA -1.535 54.584 56.287 -0.281 0.000 1.148 151 K CB -0.548 31.801 32.500 -0.251 0.000 0.860 151 K HN -0.281 8.009 8.250 0.067 0.000 0.515 152 H N -7.828 111.296 119.070 0.090 0.000 2.594 152 H HA -0.416 3.928 4.556 -0.353 0.000 0.316 152 H C -1.089 174.116 175.328 -0.205 0.000 1.107 152 H CA -0.457 55.426 56.048 -0.275 0.000 1.133 152 H CB -3.077 26.327 29.762 -0.596 0.000 1.459 152 H HN -0.112 8.306 8.280 0.406 0.105 0.411 153 K N 2.266 122.597 120.400 -0.115 0.000 2.237 153 K HA -0.366 3.920 4.320 -0.057 0.000 0.283 153 K C -0.978 175.574 176.600 -0.082 0.000 1.080 153 K CA 0.880 57.123 56.287 -0.073 0.000 0.965 153 K CB -1.023 31.445 32.500 -0.053 0.000 1.098 153 K HN -0.257 7.924 8.250 -0.085 0.018 0.434 154 G N 5.772 114.529 108.800 -0.072 0.000 2.530 154 G HA2 0.009 3.964 3.960 -0.008 0.000 0.081 154 G HA3 0.009 3.760 3.960 -0.349 0.000 0.081 154 G C -2.882 171.982 174.900 -0.060 0.000 1.062 154 G CA -0.066 44.950 45.100 -0.141 0.000 1.108 154 G HN -0.331 7.949 8.290 -0.016 0.000 0.466 155 F N -3.031 116.851 119.950 -0.112 0.000 2.715 155 F HA 0.696 5.033 4.527 -0.317 0.000 0.318 155 F C -2.588 173.020 175.800 -0.320 0.000 1.141 155 F CA -2.722 55.130 58.000 -0.248 0.000 0.950 155 F CB 2.312 41.228 39.000 -0.141 0.000 1.374 155 F HN -0.389 7.369 8.300 -0.902 0.000 0.477 156 A N -3.015 119.643 122.820 -0.271 0.000 2.539 156 A HA 0.832 5.308 4.320 -0.080 -0.204 0.296 156 A C -2.592 174.720 177.584 -0.453 0.000 1.073 156 A CA -1.340 50.536 52.037 -0.267 0.000 0.700 156 A CB 3.832 22.643 19.000 -0.315 0.000 1.296 156 A HN 0.111 7.972 8.150 -0.482 0.000 0.405 157 F N -0.890 119.023 119.950 -0.061 0.000 2.477 157 F HA 0.626 5.263 4.527 -0.087 -0.162 0.335 157 F C -0.973 174.723 175.800 -0.174 0.000 1.130 157 F CA -1.338 56.619 58.000 -0.071 0.000 0.948 157 F CB 3.661 42.676 39.000 0.026 0.000 1.154 157 F HN 0.280 8.600 8.300 0.211 0.107 0.439 158 V N 3.427 123.256 119.914 -0.141 0.000 2.328 158 V HA 0.185 4.133 4.120 -0.287 0.000 0.278 158 V C -1.769 174.053 176.094 -0.453 0.000 1.021 158 V CA -0.750 61.330 62.300 -0.368 0.000 0.838 158 V CB 1.041 32.490 31.823 -0.623 0.000 0.999 158 V HN 1.009 9.104 8.190 -0.158 0.000 0.447 159 E N 7.776 127.766 120.200 -0.351 0.000 2.197 159 E HA 0.512 4.922 4.350 -0.167 -0.160 0.281 159 E C -1.180 175.212 176.600 -0.346 0.000 0.995 159 E CA -1.933 54.318 56.400 -0.249 0.000 0.808 159 E CB 3.077 32.726 29.700 -0.084 0.000 1.093 159 E HN 0.424 8.628 8.360 -0.260 0.000 0.394 160 Y N 5.471 125.772 120.300 0.002 0.000 2.596 160 Y HA 0.428 5.180 4.550 0.030 -0.184 0.326 160 Y C 0.328 176.245 175.900 0.027 0.000 1.167 160 Y CA -0.949 57.159 58.100 0.014 0.000 1.246 160 Y CB 2.543 41.001 38.460 -0.003 0.000 1.347 160 Y HN 0.845 9.087 8.280 0.115 0.107 0.515 161 E N -0.670 119.668 120.200 0.231 0.000 2.385 161 E HA -0.015 4.417 4.350 0.137 0.000 0.194 161 E C -0.655 176.035 176.600 0.149 0.000 1.013 161 E CA 1.289 57.793 56.400 0.173 0.000 0.866 161 E CB 0.925 30.751 29.700 0.209 0.000 0.832 161 E HN 0.252 8.776 8.360 0.272 0.000 0.500 162 V N -8.605 111.374 119.914 0.109 0.000 2.760 162 V HA 0.407 4.571 4.120 0.074 0.000 0.309 162 V C -1.833 174.234 176.094 -0.044 0.000 1.077 162 V CA -4.067 58.255 62.300 0.036 0.000 0.910 162 V CB 1.468 33.302 31.823 0.017 0.000 1.008 162 V HN -0.793 7.434 8.190 0.135 0.044 0.424 163 P HA -0.009 4.411 4.420 -0.000 0.000 0.226 163 P C 0.481 177.676 177.300 -0.175 0.000 1.153 163 P CA 1.818 64.885 63.100 -0.056 0.000 0.777 163 P CB 0.725 32.412 31.700 -0.021 0.000 0.794 164 E N -0.969 119.036 120.200 -0.325 0.000 2.077 164 E HA -0.353 3.764 4.350 -0.388 0.000 0.193 164 E C 1.791 178.045 176.600 -0.577 0.000 0.989 164 E CA 3.775 59.806 56.400 -0.616 0.000 0.800 164 E CB -1.551 27.351 29.700 -1.330 0.000 0.746 164 E HN 0.266 8.426 8.360 -0.265 0.040 0.452 165 A N -1.035 121.467 122.820 -0.531 0.000 1.933 165 A HA -0.260 4.023 4.320 -0.062 0.000 0.218 165 A C 1.561 178.870 177.584 -0.458 0.000 1.175 165 A CA 2.926 54.729 52.037 -0.391 0.000 0.628 165 A CB -0.973 17.648 19.000 -0.631 0.000 0.814 165 A HN -0.565 7.254 8.150 -0.552 0.000 0.444 166 A N -2.046 120.494 122.820 -0.465 0.000 1.930 166 A HA -0.403 3.819 4.320 -0.164 0.000 0.217 166 A C 1.825 179.395 177.584 -0.024 0.000 1.175 166 A CA 2.815 54.755 52.037 -0.162 0.000 0.627 166 A CB -0.735 18.300 19.000 0.057 0.000 0.815 166 A HN -0.464 7.343 8.150 -0.400 0.103 0.443 167 Q N -0.414 119.356 119.800 -0.049 0.000 2.050 167 Q HA -0.261 4.094 4.340 0.025 0.000 0.202 167 Q C 2.181 178.226 176.000 0.074 0.000 0.980 167 Q CA 2.719 58.524 55.803 0.004 0.000 0.840 167 Q CB -0.443 28.274 28.738 -0.035 0.000 0.898 167 Q HN -0.079 7.931 8.270 -0.120 0.188 0.424 168 L N -1.482 119.805 121.223 0.107 0.000 2.141 168 L HA -0.046 4.557 4.340 0.155 -0.170 0.209 168 L C 2.539 179.680 176.870 0.452 0.000 1.094 168 L CA 2.448 57.421 54.840 0.220 0.000 0.763 168 L CB -0.548 41.590 42.059 0.131 0.000 0.908 168 L HN -0.038 8.212 8.230 0.034 0.000 0.437 169 A N -0.653 122.437 122.820 0.450 0.000 1.972 169 A HA -0.262 4.347 4.320 0.482 0.000 0.219 169 A C 1.707 179.442 177.584 0.253 0.000 1.169 169 A CA 2.994 55.253 52.037 0.370 0.000 0.635 169 A CB -0.678 18.413 19.000 0.150 0.000 0.810 169 A HN -0.040 8.203 8.150 0.312 0.094 0.446 170 L N -2.119 119.205 121.223 0.169 0.000 2.034 170 L HA -0.294 4.113 4.340 0.112 0.000 0.203 170 L C 2.094 179.037 176.870 0.122 0.000 1.074 170 L CA 2.964 57.877 54.840 0.121 0.000 0.748 170 L CB -0.127 41.983 42.059 0.084 0.000 0.905 170 L HN -0.448 7.760 8.230 0.150 0.112 0.439 171 E N -1.974 118.299 120.200 0.122 0.000 2.051 171 E HA -0.344 4.052 4.350 0.078 0.000 0.192 171 E C 2.613 179.278 176.600 0.110 0.000 0.991 171 E CA 3.464 59.923 56.400 0.099 0.000 0.799 171 E CB -0.233 29.518 29.700 0.085 0.000 0.748 171 E HN 0.349 8.677 8.360 0.128 0.109 0.449 172 Q N -1.336 118.559 119.800 0.158 0.000 2.200 172 Q HA -0.006 4.394 4.340 0.099 0.000 0.197 172 Q C 2.639 178.732 176.000 0.154 0.000 0.953 172 Q CA 2.603 58.496 55.803 0.150 0.000 0.851 172 Q CB 0.172 29.013 28.738 0.172 0.000 0.938 172 Q HN 0.032 8.319 8.270 0.207 0.107 0.488 173 M N -2.813 116.914 119.600 0.212 0.000 2.229 173 M HA -0.260 4.283 4.480 0.105 0.000 0.264 173 M C 0.924 177.290 176.300 0.110 0.000 1.063 173 M CA 2.307 57.697 55.300 0.150 0.000 1.114 173 M CB -0.344 32.371 32.600 0.192 0.000 1.387 173 M HN -0.779 7.683 8.290 0.287 0.000 0.420 174 N N -2.863 115.905 118.700 0.114 0.000 2.416 174 N HA -0.118 4.667 4.740 0.076 0.000 0.177 174 N C 0.764 176.310 175.510 0.060 0.000 1.036 174 N CA 1.620 54.718 53.050 0.081 0.000 0.901 174 N CB 0.672 39.206 38.487 0.079 0.000 0.976 174 N HN -0.623 7.818 8.380 0.134 0.019 0.444 175 S N -0.723 115.014 115.700 0.061 0.000 2.486 175 S HA -0.027 4.465 4.470 0.037 0.000 0.220 175 S C -0.439 174.180 174.600 0.032 0.000 1.011 175 S CA 2.191 60.417 58.200 0.043 0.000 0.921 175 S CB 1.334 64.560 63.200 0.042 0.000 0.785 175 S HN -0.588 7.618 8.310 0.078 0.151 0.517 176 V N 2.161 122.097 119.914 0.036 0.000 2.378 176 V HA 0.006 4.132 4.120 0.011 0.000 0.288 176 V C -1.588 174.512 176.094 0.011 0.000 1.016 176 V CA -1.200 61.112 62.300 0.020 0.000 0.840 176 V CB 1.194 33.030 31.823 0.021 0.000 0.994 176 V HN -0.363 7.858 8.190 0.052 0.000 0.431 177 M N 5.865 125.465 119.600 -0.000 0.000 2.435 177 M HA -0.066 4.411 4.480 -0.005 0.000 0.338 177 M C 0.570 176.847 176.300 -0.037 0.000 1.628 177 M CA 0.755 56.047 55.300 -0.013 0.000 1.215 177 M CB -0.310 32.283 32.600 -0.012 0.000 1.905 177 M HN 0.416 8.706 8.290 0.000 0.000 0.457 178 L N 0.244 121.435 121.223 -0.054 0.000 2.627 178 L HA 0.192 4.490 4.340 -0.070 0.000 0.233 178 L C -0.532 176.256 176.870 -0.136 0.000 1.144 178 L CA 0.193 54.981 54.840 -0.087 0.000 0.892 178 L CB -0.271 41.719 42.059 -0.115 0.000 1.039 178 L HN 0.484 8.690 8.230 -0.040 0.000 0.442 179 G N -1.345 107.363 108.800 -0.152 0.000 2.427 179 G HA2 -0.092 3.715 3.960 -0.255 0.000 0.306 179 G HA3 -0.092 3.601 3.960 -0.445 0.000 0.306 179 G C -1.418 173.358 174.900 -0.206 0.000 1.280 179 G CA -0.701 44.233 45.100 -0.277 0.000 0.837 179 G HN -0.624 7.495 8.290 -0.102 0.110 0.482 180 G N -1.656 106.976 108.800 -0.280 0.000 3.295 180 G HA2 0.178 4.134 3.960 -0.007 0.000 0.231 180 G HA3 0.178 4.185 3.960 0.079 0.000 0.231 180 G C -0.290 174.690 174.900 0.133 0.000 1.277 180 G CA 0.266 45.360 45.100 -0.011 0.000 1.013 180 G HN 0.358 8.287 8.290 -0.601 0.000 0.509 181 R N -1.416 119.139 120.500 0.091 0.000 2.536 181 R HA 0.094 4.511 4.340 0.128 0.000 0.269 181 R C -2.497 173.852 176.300 0.081 0.000 1.113 181 R CA -0.724 55.470 56.100 0.156 0.000 0.948 181 R CB 2.711 33.209 30.300 0.330 0.000 1.237 181 R HN -0.757 7.358 8.270 -0.030 0.136 0.441 182 N N 3.585 122.325 118.700 0.066 0.000 2.434 182 N HA 0.105 4.867 4.740 0.036 0.000 0.272 182 N C -0.589 174.953 175.510 0.052 0.000 1.040 182 N CA -0.788 52.291 53.050 0.048 0.000 0.956 182 N CB 1.055 39.566 38.487 0.040 0.000 1.108 182 N HN 0.094 8.516 8.380 0.070 0.000 0.481 183 I N -1.406 119.192 120.570 0.046 0.000 2.577 183 I HA 0.275 4.574 4.170 0.025 -0.113 0.300 183 I C -0.982 175.154 176.117 0.031 0.000 0.990 183 I CA -1.362 59.957 61.300 0.031 0.000 1.283 183 I CB 1.379 39.395 38.000 0.026 0.000 1.411 183 I HN 0.132 8.370 8.210 0.046 0.000 0.515 184 K N 2.761 123.171 120.400 0.017 0.000 2.263 184 K HA 0.269 4.623 4.320 0.057 0.000 0.272 184 K C -1.321 175.307 176.600 0.047 0.000 1.033 184 K CA -1.164 55.154 56.287 0.052 0.000 0.884 184 K CB 0.750 33.307 32.500 0.095 0.000 1.107 184 K HN 0.095 8.338 8.250 -0.011 0.000 0.460 185 V N 5.605 125.555 119.914 0.060 0.000 2.370 185 V HA 0.796 5.217 4.120 -0.002 -0.302 0.279 185 V C 0.938 177.092 176.094 0.099 0.000 1.029 185 V CA -1.203 61.127 62.300 0.051 0.000 0.870 185 V CB -0.322 31.530 31.823 0.048 0.000 0.984 185 V HN 0.342 8.571 8.190 0.065 0.000 0.451 186 G N 8.262 117.151 108.800 0.150 0.000 2.541 186 G HA2 -0.239 3.798 3.960 0.128 0.000 0.686 186 G HA3 -0.239 3.771 3.960 0.082 0.000 0.686 186 G C -2.450 172.499 174.900 0.082 0.000 1.286 186 G CA -0.170 45.004 45.100 0.123 0.000 0.894 186 G HN 0.077 8.424 8.290 0.182 0.052 0.575 187 R N -0.639 119.861 120.500 -0.000 0.000 2.415 187 R HA 0.347 4.564 4.340 -0.205 0.000 0.292 187 R C -2.147 174.111 176.300 -0.071 0.000 1.295 187 R CA -2.870 53.160 56.100 -0.116 0.000 1.137 187 R CB 0.932 31.144 30.300 -0.147 0.000 1.135 187 R HN 0.311 8.598 8.270 0.027 0.000 0.560 188 P HA 0.083 4.489 4.420 -0.024 0.000 0.259 188 P C -1.497 175.772 177.300 -0.052 0.000 1.635 188 P CA 0.538 63.614 63.100 -0.040 0.000 1.199 188 P CB -0.684 30.999 31.700 -0.027 0.000 1.850 189 S N 2.623 118.294 115.700 -0.050 0.000 3.552 189 S HA 0.123 4.566 4.470 -0.046 0.000 0.251 189 S C 0.612 175.192 174.600 -0.035 0.000 1.119 189 S CA 0.490 58.660 58.200 -0.050 0.000 0.830 189 S CB 0.656 63.814 63.200 -0.071 0.000 0.946 189 S HN 0.234 8.491 8.310 -0.042 0.027 0.470 190 N N 0.572 119.254 118.700 -0.031 0.000 2.322 190 N HA 0.084 4.811 4.740 -0.022 0.000 0.194 190 N C -0.212 175.289 175.510 -0.014 0.000 1.126 190 N CA -0.150 52.887 53.050 -0.022 0.000 0.845 190 N CB 0.038 38.512 38.487 -0.021 0.000 0.976 190 N HN -0.264 8.094 8.380 -0.036 0.000 0.475 191 I N -4.341 116.222 120.570 -0.013 0.000 2.836 191 I HA -0.155 4.014 4.170 -0.002 0.000 0.285 191 I C 1.408 177.521 176.117 -0.006 0.000 1.174 191 I CA 1.285 62.581 61.300 -0.006 0.000 1.405 191 I CB -0.023 37.975 38.000 -0.004 0.000 1.385 191 I HN -0.762 7.356 8.210 -0.018 0.082 0.594 192 G N 4.578 113.377 108.800 -0.002 0.000 2.900 192 G HA2 -0.491 3.469 3.960 -0.000 0.000 0.223 192 G HA3 -0.491 3.466 3.960 -0.004 0.000 0.223 192 G C -0.052 174.847 174.900 -0.002 0.000 1.293 192 G CA 1.066 46.165 45.100 -0.002 0.000 0.792 192 G HN 0.404 8.695 8.290 0.000 0.000 0.527 193 Q N 3.353 123.150 119.800 -0.004 0.000 2.046 193 Q HA -0.158 4.180 4.340 -0.004 0.000 0.200 193 Q C 1.021 177.019 176.000 -0.002 0.000 0.975 193 Q CA 2.180 57.980 55.803 -0.004 0.000 0.836 193 Q CB 0.438 29.172 28.738 -0.007 0.000 0.896 193 Q HN -0.211 7.970 8.270 -0.006 0.085 0.428 194 A N -2.406 120.413 122.820 -0.002 0.000 2.275 194 A HA 0.159 4.480 4.320 0.001 0.000 0.212 194 A C 1.314 178.900 177.584 0.004 0.000 1.201 194 A CA 0.977 53.015 52.037 0.001 0.000 0.843 194 A CB -0.029 18.972 19.000 0.001 0.000 0.873 194 A HN -0.417 7.731 8.150 -0.003 0.000 0.492 195 Q N 0.466 120.268 119.800 0.004 0.000 2.030 195 Q HA -0.121 4.224 4.340 0.008 0.000 0.204 195 Q C -1.333 174.671 176.000 0.008 0.000 0.986 195 Q CA 4.342 60.149 55.803 0.006 0.000 0.843 195 Q CB -2.361 26.380 28.738 0.005 0.000 0.904 195 Q HN 0.537 8.673 8.270 0.002 0.135 0.420 196 P HA -0.159 4.266 4.420 0.008 0.000 0.219 196 P C 1.430 178.736 177.300 0.009 0.000 1.146 196 P CA 2.758 65.863 63.100 0.007 0.000 0.808 196 P CB -0.763 30.940 31.700 0.005 0.000 0.779 197 I N -2.055 118.521 120.570 0.009 0.000 2.333 197 I HA -0.274 3.903 4.170 0.012 0.000 0.246 197 I C 1.928 178.053 176.117 0.014 0.000 1.106 197 I CA 1.473 62.779 61.300 0.011 0.000 1.411 197 I CB -0.928 37.077 38.000 0.008 0.000 1.082 197 I HN -0.887 7.188 8.210 0.007 0.140 0.420 198 I N 2.755 123.333 120.570 0.013 0.000 2.127 198 I HA -0.582 3.598 4.170 0.016 0.000 0.241 198 I C 2.247 178.375 176.117 0.019 0.000 1.075 198 I CA 4.893 66.202 61.300 0.015 0.000 1.334 198 I CB -0.334 37.674 38.000 0.014 0.000 1.040 198 I HN 0.107 8.249 8.210 0.011 0.075 0.405 199 D N -1.640 118.770 120.400 0.017 0.000 2.218 199 D HA -0.292 4.360 4.640 0.021 0.000 0.204 199 D C 2.691 179.004 176.300 0.021 0.000 0.976 199 D CA 3.830 57.841 54.000 0.019 0.000 0.853 199 D CB -0.442 40.367 40.800 0.015 0.000 0.939 199 D HN 0.080 8.459 8.370 0.014 0.000 0.481 200 Q N 0.877 120.689 119.800 0.020 0.000 2.016 200 Q HA -0.186 4.167 4.340 0.022 0.000 0.200 200 Q C 2.225 178.244 176.000 0.033 0.000 0.978 200 Q CA 2.517 58.334 55.803 0.024 0.000 0.833 200 Q CB -0.440 28.310 28.738 0.020 0.000 0.895 200 Q HN -0.627 7.546 8.270 0.018 0.108 0.427 201 L N -1.103 120.139 121.223 0.032 0.000 2.012 201 L HA -0.453 3.914 4.340 0.045 0.000 0.210 201 L C 2.118 179.019 176.870 0.051 0.000 1.073 201 L CA 3.313 58.176 54.840 0.039 0.000 0.748 201 L CB -0.569 41.505 42.059 0.026 0.000 0.891 201 L HN 0.372 8.617 8.230 0.025 0.000 0.431 202 A N -1.724 121.122 122.820 0.043 0.000 1.883 202 A HA -0.360 4.077 4.320 0.056 -0.084 0.217 202 A C 2.152 179.772 177.584 0.059 0.000 1.186 202 A CA 3.165 55.232 52.037 0.050 0.000 0.624 202 A CB -0.872 18.151 19.000 0.038 0.000 0.822 202 A HN 0.204 8.374 8.150 0.034 0.000 0.444 203 E N -1.789 118.439 120.200 0.047 0.000 2.150 203 E HA -0.282 4.091 4.350 0.039 0.000 0.193 203 E C 2.095 178.726 176.600 0.051 0.000 0.985 203 E CA 2.492 58.916 56.400 0.041 0.000 0.814 203 E CB -0.097 29.619 29.700 0.026 0.000 0.752 203 E HN -0.460 7.924 8.360 0.039 0.000 0.466 204 E N -0.801 119.440 120.200 0.069 0.000 2.046 204 E HA -0.211 4.175 4.350 0.060 0.000 0.190 204 E C 2.565 179.287 176.600 0.203 0.000 0.982 204 E CA 2.480 58.940 56.400 0.100 0.000 0.800 204 E CB 0.157 29.919 29.700 0.102 0.000 0.756 204 E HN -0.023 8.163 8.360 0.063 0.212 0.449 205 A N -0.900 122.047 122.820 0.212 0.000 2.067 205 A HA -0.146 4.491 4.320 0.528 0.000 0.219 205 A C 1.872 179.640 177.584 0.307 0.000 1.158 205 A CA 2.577 54.802 52.037 0.313 0.000 0.661 205 A CB -0.744 18.346 19.000 0.151 0.000 0.801 205 A HN 0.560 8.685 8.150 0.140 0.108 0.452 206 R N -1.014 119.584 120.500 0.163 0.000 2.152 206 R HA -0.324 4.092 4.340 0.125 0.000 0.232 206 R C 1.898 178.231 176.300 0.056 0.000 1.117 206 R CA 2.873 59.037 56.100 0.107 0.000 0.981 206 R CB -0.303 30.034 30.300 0.061 0.000 0.870 206 R HN -0.201 8.021 8.270 0.130 0.125 0.451 207 A N -0.498 122.307 122.820 -0.025 0.000 2.121 207 A HA -0.126 4.096 4.320 -0.163 0.000 0.218 207 A C 0.808 178.160 177.584 -0.387 0.000 1.154 207 A CA 2.308 54.192 52.037 -0.255 0.000 0.679 207 A CB -0.479 18.263 19.000 -0.430 0.000 0.795 207 A HN -0.352 7.660 8.150 0.033 0.158 0.458 208 F N -5.057 114.911 119.950 0.029 0.000 2.695 208 F HA 0.166 4.709 4.527 0.028 0.000 0.303 208 F C -1.046 174.790 175.800 0.059 0.000 1.091 208 F CA -0.225 57.796 58.000 0.034 0.000 1.300 208 F CB 0.002 39.014 39.000 0.020 0.000 1.071 208 F HN -0.539 7.724 8.300 0.237 0.179 0.578 209 N N -1.168 117.654 118.700 0.203 0.000 2.696 209 N HA -0.541 4.292 4.740 0.155 0.000 0.254 209 N C -0.808 174.830 175.510 0.213 0.000 0.988 209 N CA 0.612 53.764 53.050 0.170 0.000 0.775 209 N CB -0.800 37.759 38.487 0.119 0.000 0.933 209 N HN -0.210 8.053 8.380 0.164 0.216 0.539 210 R N -3.646 116.999 120.500 0.241 0.000 2.404 210 R HA 0.255 4.816 4.340 0.250 -0.072 0.291 210 R C -1.126 175.338 176.300 0.273 0.000 1.025 210 R CA -0.561 55.691 56.100 0.253 0.000 0.991 210 R CB 1.849 32.294 30.300 0.242 0.000 1.053 210 R HN -0.774 7.629 8.270 0.259 0.022 0.479 211 I N 0.504 121.241 120.570 0.277 0.000 2.566 211 I HA 0.087 4.411 4.170 0.257 0.000 0.303 211 I C -2.673 173.598 176.117 0.256 0.000 0.983 211 I CA -2.050 59.410 61.300 0.267 0.000 1.235 211 I CB 3.526 41.706 38.000 0.301 0.000 1.386 211 I HN 0.568 8.940 8.210 0.271 0.000 0.494 212 Y N 7.406 127.757 120.300 0.085 0.000 2.331 212 Y HA 0.335 4.775 4.550 -0.183 0.000 0.338 212 Y C -1.853 174.026 175.900 -0.034 0.000 0.976 212 Y CA -1.631 56.433 58.100 -0.060 0.000 1.137 212 Y CB 1.791 40.210 38.460 -0.067 0.000 1.172 212 Y HN -0.363 7.998 8.280 0.311 0.106 0.478 213 V N 8.968 128.526 119.914 -0.594 0.000 2.347 213 V HA 0.127 4.183 4.120 -0.107 0.000 0.280 213 V C -2.153 173.582 176.094 -0.598 0.000 1.021 213 V CA -0.795 61.285 62.300 -0.367 0.000 0.847 213 V CB 0.792 32.501 31.823 -0.189 0.000 0.990 213 V HN 0.620 8.368 8.190 -0.737 0.000 0.444 214 A N 5.703 128.277 122.820 -0.409 0.000 2.387 214 A HA 0.804 5.085 4.320 -0.264 -0.119 0.298 214 A C -0.719 176.780 177.584 -0.141 0.000 1.165 214 A CA -2.437 49.412 52.037 -0.314 0.000 0.814 214 A CB 3.700 22.486 19.000 -0.357 0.000 1.357 214 A HN 0.876 8.876 8.150 -0.250 0.000 0.443 215 S N -3.852 111.791 115.700 -0.096 0.000 3.561 215 S HA -0.413 4.058 4.470 0.001 0.000 0.318 215 S C -0.983 173.626 174.600 0.016 0.000 1.181 215 S CA 1.050 59.228 58.200 -0.037 0.000 0.916 215 S CB -0.999 62.156 63.200 -0.075 0.000 0.966 215 S HN 0.516 8.675 8.310 -0.072 0.107 0.550 216 V N 0.267 120.211 119.914 0.050 0.000 2.572 216 V HA -0.168 4.019 4.120 0.112 0.000 0.291 216 V C -0.343 175.820 176.094 0.114 0.000 1.039 216 V CA 0.381 62.746 62.300 0.108 0.000 1.055 216 V CB 0.537 32.437 31.823 0.129 0.000 0.969 216 V HN -0.274 7.817 8.190 0.042 0.124 0.482 217 H N 6.858 125.947 119.070 0.031 0.000 2.848 217 H HA -0.029 4.513 4.556 -0.023 0.000 0.341 217 H C 0.599 175.956 175.328 0.049 0.000 1.060 217 H CA 0.838 56.887 56.048 0.001 0.000 1.444 217 H CB 1.970 31.696 29.762 -0.059 0.000 1.446 217 H HN 0.140 8.523 8.280 0.172 0.000 0.583 218 Q N 5.764 125.373 119.800 -0.320 0.000 2.096 218 Q HA -0.374 3.637 4.340 -0.550 0.000 0.204 218 Q C 0.247 176.124 176.000 -0.205 0.000 0.982 218 Q CA 2.383 57.972 55.803 -0.357 0.000 0.850 218 Q CB 0.087 28.623 28.738 -0.335 0.000 0.901 218 Q HN 0.504 8.336 8.270 -0.730 0.000 0.422 219 D N -2.059 118.386 120.400 0.075 0.000 2.149 219 D HA -0.075 4.605 4.640 0.068 0.000 0.206 219 D C 0.411 176.847 176.300 0.227 0.000 0.967 219 D CA 0.513 54.598 54.000 0.140 0.000 0.848 219 D CB -0.068 40.818 40.800 0.144 0.000 0.998 219 D HN -0.707 7.765 8.370 0.171 0.000 0.474 220 L N 0.722 122.104 121.223 0.265 0.000 2.628 220 L HA -0.329 4.090 4.340 0.132 0.000 0.274 220 L C -0.508 176.493 176.870 0.219 0.000 1.209 220 L CA 1.439 56.399 54.840 0.200 0.000 0.930 220 L CB 0.322 42.482 42.059 0.168 0.000 1.183 220 L HN -0.478 7.959 8.230 0.346 0.000 0.492 221 S N 4.699 120.460 115.700 0.101 0.000 2.719 221 S HA 0.326 4.736 4.470 -0.100 0.000 0.285 221 S C 0.719 175.264 174.600 -0.092 0.000 1.137 221 S CA -1.448 56.740 58.200 -0.019 0.000 1.012 221 S CB 1.880 65.087 63.200 0.011 0.000 1.134 221 S HN 0.550 9.373 8.310 0.087 -0.460 0.544 222 D N 2.298 122.603 120.400 -0.158 0.000 2.087 222 D HA -0.338 4.188 4.640 -0.189 0.000 0.192 222 D C 1.818 178.063 176.300 -0.092 0.000 0.993 222 D CA 4.867 58.776 54.000 -0.151 0.000 0.828 222 D CB -0.356 40.356 40.800 -0.146 0.000 0.968 222 D HN 0.533 8.802 8.370 -0.167 0.000 0.448 223 D N -3.127 117.233 120.400 -0.066 0.000 2.218 223 D HA -0.252 4.347 4.640 -0.067 0.000 0.204 223 D C 1.435 177.719 176.300 -0.026 0.000 0.976 223 D CA 3.694 57.664 54.000 -0.050 0.000 0.853 223 D CB -0.349 40.427 40.800 -0.039 0.000 0.939 223 D HN 0.088 8.419 8.370 -0.064 0.000 0.481 224 D N -1.053 119.348 120.400 0.002 0.000 2.097 224 D HA -0.246 4.416 4.640 0.036 0.000 0.197 224 D C 2.315 178.663 176.300 0.081 0.000 0.984 224 D CA 2.897 56.927 54.000 0.050 0.000 0.826 224 D CB -0.210 40.640 40.800 0.083 0.000 0.973 224 D HN -0.174 8.069 8.370 -0.006 0.124 0.460 225 I N -1.083 119.543 120.570 0.093 0.000 2.567 225 I HA -0.456 3.849 4.170 0.224 0.000 0.257 225 I C 1.416 177.567 176.117 0.057 0.000 1.184 225 I CA 1.456 62.838 61.300 0.136 0.000 1.451 225 I CB -1.869 36.211 38.000 0.133 0.000 1.089 225 I HN 0.152 8.395 8.210 0.055 0.000 0.441 226 K N -0.275 120.110 120.400 -0.026 0.000 2.152 226 K HA -0.326 3.953 4.320 -0.068 0.000 0.206 226 K C 2.660 179.195 176.600 -0.108 0.000 1.048 226 K CA 2.620 58.865 56.287 -0.070 0.000 0.933 226 K CB -1.020 31.425 32.500 -0.092 0.000 0.721 226 K HN -0.233 7.865 8.250 -0.034 0.130 0.447 227 S N -1.182 114.453 115.700 -0.109 0.000 2.368 227 S HA -0.396 4.008 4.470 -0.110 0.000 0.226 227 S C 1.757 176.184 174.600 -0.287 0.000 1.044 227 S CA 4.112 62.226 58.200 -0.142 0.000 1.062 227 S CB -0.271 62.883 63.200 -0.078 0.000 0.931 227 S HN -0.042 8.072 8.310 -0.061 0.159 0.440 228 V N -2.080 117.558 119.914 -0.459 0.000 2.346 228 V HA -0.290 3.453 4.120 -0.628 0.000 0.244 228 V C 1.082 176.378 176.094 -1.330 0.000 1.037 228 V CA 2.749 64.564 62.300 -0.808 0.000 1.029 228 V CB -0.458 30.750 31.823 -1.025 0.000 0.663 228 V HN -0.878 7.060 8.190 -0.420 0.000 0.454 229 F N -0.161 119.295 119.950 -0.822 0.000 2.102 229 F HA -0.301 3.815 4.527 -0.685 0.000 0.298 229 F C 3.211 178.709 175.800 -0.503 0.000 1.105 229 F CA 4.431 62.066 58.000 -0.608 0.000 1.239 229 F CB 0.150 38.987 39.000 -0.271 0.000 0.991 229 F HN -0.763 7.361 8.300 -0.294 0.000 0.474 230 E N -1.169 118.899 120.200 -0.221 0.000 2.427 230 E HA -0.113 4.402 4.350 -0.118 -0.236 0.196 230 E C 0.492 177.006 176.600 -0.144 0.000 1.028 230 E CA 0.886 57.193 56.400 -0.157 0.000 0.864 230 E CB 0.121 29.741 29.700 -0.133 0.000 0.813 230 E HN 0.258 8.382 8.360 -0.201 0.116 0.514 231 A N -1.328 121.325 122.820 -0.279 0.000 2.067 231 A HA -0.085 4.206 4.320 -0.049 0.000 0.217 231 A C 0.632 178.269 177.584 0.088 0.000 1.156 231 A CA 2.104 54.065 52.037 -0.126 0.000 0.683 231 A CB -0.172 18.746 19.000 -0.136 0.000 0.808 231 A HN -0.373 7.336 8.150 -0.476 0.156 0.455 232 F N -2.999 116.970 119.950 0.032 0.000 2.243 232 F HA 0.223 4.760 4.527 0.016 0.000 0.287 232 F C 1.003 176.869 175.800 0.110 0.000 1.067 232 F CA -0.914 57.115 58.000 0.048 0.000 1.304 232 F CB 0.903 39.920 39.000 0.029 0.000 1.087 232 F HN -0.713 7.164 8.300 -0.470 0.141 0.513 233 G N -2.673 106.343 108.800 0.360 0.000 3.135 233 G HA2 0.271 4.378 3.960 0.245 0.000 0.278 233 G HA3 0.271 4.573 3.960 0.571 0.000 0.278 233 G C -3.103 171.908 174.900 0.185 0.000 1.302 233 G CA -0.611 44.704 45.100 0.358 0.000 0.880 233 G HN -0.354 8.121 8.290 0.310 0.000 0.574 234 K N -0.963 119.523 120.400 0.144 0.000 2.182 234 K HA 0.307 4.588 4.320 -0.065 0.000 0.262 234 K C -1.809 174.652 176.600 -0.230 0.000 0.957 234 K CA -0.856 55.412 56.287 -0.032 0.000 0.842 234 K CB 1.957 34.468 32.500 0.018 0.000 1.099 234 K HN 0.084 8.498 8.250 0.274 0.000 0.438 235 I N 4.523 124.920 120.570 -0.288 0.000 2.465 235 I HA 0.255 4.289 4.170 -0.471 -0.146 0.291 235 I C -0.383 175.625 176.117 -0.182 0.000 1.014 235 I CA -1.245 59.834 61.300 -0.369 0.000 1.093 235 I CB 2.591 40.325 38.000 -0.445 0.000 1.267 235 I HN 0.429 8.519 8.210 -0.200 0.000 0.431 236 K N 4.698 125.021 120.400 -0.128 0.000 2.308 236 K HA 0.132 4.415 4.320 -0.062 0.000 0.197 236 K C -0.119 176.442 176.600 -0.064 0.000 1.049 236 K CA 0.479 56.726 56.287 -0.067 0.000 0.991 236 K CB 1.190 33.676 32.500 -0.022 0.000 0.836 236 K HN 0.717 8.885 8.250 -0.136 0.000 0.500 237 S N -1.495 114.158 115.700 -0.078 0.000 2.575 237 S HA 0.116 4.549 4.470 -0.062 0.000 0.278 237 S C -2.363 172.178 174.600 -0.098 0.000 1.139 237 S CA -0.423 57.738 58.200 -0.064 0.000 0.954 237 S CB 1.572 64.758 63.200 -0.024 0.000 1.054 237 S HN -0.656 7.594 8.310 -0.100 0.000 0.483 238 C N 4.916 124.154 119.300 -0.102 0.000 2.522 238 C HA 0.688 5.058 4.460 -0.150 0.000 0.344 238 C C -1.480 173.446 174.990 -0.108 0.000 1.104 238 C CA -2.373 56.563 59.018 -0.137 0.000 1.317 238 C CB 2.839 30.470 27.740 -0.183 0.000 1.896 238 C HN 0.516 8.696 8.230 -0.084 0.000 0.443 239 T N 6.191 120.690 114.554 -0.090 0.000 3.237 239 T HA 0.223 4.678 4.350 -0.110 -0.172 0.319 239 T C -0.952 173.686 174.700 -0.104 0.000 1.037 239 T CA 0.294 62.343 62.100 -0.084 0.000 1.048 239 T CB 3.062 71.906 68.868 -0.039 0.000 1.081 239 T HN -0.056 8.139 8.240 -0.075 0.000 0.455 240 L N 5.060 126.169 121.223 -0.190 0.000 2.305 240 L HA 0.174 4.427 4.340 -0.278 -0.080 0.281 240 L C -0.722 176.024 176.870 -0.207 0.000 1.085 240 L CA -0.972 53.706 54.840 -0.269 0.000 0.813 240 L CB 0.606 42.391 42.059 -0.457 0.000 1.157 240 L HN 1.225 9.857 8.230 -0.206 -0.526 0.436 241 A N 5.540 128.192 122.820 -0.280 0.000 2.548 241 A HA -0.172 4.103 4.320 -0.075 0.000 0.247 241 A C -1.240 176.283 177.584 -0.101 0.000 1.067 241 A CA 0.379 52.302 52.037 -0.191 0.000 0.757 241 A CB 0.439 19.248 19.000 -0.317 0.000 0.996 241 A HN 0.253 8.132 8.150 -0.451 0.000 0.504 242 R N 2.366 122.854 120.500 -0.021 0.000 2.490 242 R HA -0.086 4.293 4.340 0.064 0.000 0.280 242 R C -1.274 175.045 176.300 0.031 0.000 1.077 242 R CA -0.368 55.748 56.100 0.026 0.000 1.065 242 R CB 0.476 30.791 30.300 0.025 0.000 1.003 242 R HN 0.151 8.412 8.270 -0.015 0.000 0.470 243 D N 3.002 123.425 120.400 0.038 0.000 2.381 243 D HA 0.275 4.948 4.640 0.055 0.000 0.235 243 D C -0.425 175.894 176.300 0.032 0.000 1.068 243 D CA -3.683 50.341 54.000 0.041 0.000 0.832 243 D CB 2.141 42.963 40.800 0.037 0.000 1.101 243 D HN -0.076 8.320 8.370 0.044 0.000 0.515 244 P HA -0.007 4.427 4.420 0.024 0.000 0.221 244 P C 0.430 177.744 177.300 0.023 0.000 1.150 244 P CA 1.971 65.088 63.100 0.028 0.000 0.800 244 P CB 0.423 32.142 31.700 0.032 0.000 0.787 245 T N -2.462 112.108 114.554 0.027 0.000 3.044 245 T HA 0.022 4.382 4.350 0.018 0.000 0.255 245 T C 1.379 176.086 174.700 0.012 0.000 1.073 245 T CA 1.812 63.924 62.100 0.021 0.000 1.125 245 T CB 0.609 69.494 68.868 0.028 0.000 0.908 245 T HN -0.556 7.830 8.240 0.035 -0.125 0.480 246 T N 0.455 115.014 114.554 0.007 0.000 2.937 246 T HA -0.066 4.276 4.350 -0.012 0.000 0.260 246 T C 1.353 176.043 174.700 -0.017 0.000 1.051 246 T CA 1.964 64.056 62.100 -0.013 0.000 1.141 246 T CB 1.208 70.056 68.868 -0.032 0.000 0.879 246 T HN 0.095 8.730 8.240 0.016 -0.385 0.459 247 G N 1.018 109.814 108.800 -0.006 0.000 2.234 247 G HA2 -0.394 3.570 3.960 0.006 0.000 0.235 247 G HA3 -0.394 3.564 3.960 -0.004 0.000 0.235 247 G C -0.300 174.600 174.900 -0.001 0.000 0.997 247 G CA 0.719 45.818 45.100 -0.002 0.000 0.623 247 G HN 0.429 8.614 8.290 0.002 0.106 0.514 248 K N -0.273 120.115 120.400 -0.022 0.000 2.409 248 K HA 0.247 4.580 4.320 0.023 0.000 0.237 248 K C -1.021 175.611 176.600 0.053 0.000 1.083 248 K CA 0.238 56.516 56.287 -0.014 0.000 0.914 248 K CB 1.446 33.884 32.500 -0.104 0.000 1.300 248 K HN 0.288 8.429 8.250 -0.041 0.085 0.454 249 H N -4.772 114.282 119.070 -0.026 0.000 3.068 249 H HA 0.217 4.884 4.556 -0.052 -0.142 0.342 249 H C -1.731 173.565 175.328 -0.054 0.000 1.284 249 H CA -0.887 55.130 56.048 -0.051 0.000 1.181 249 H CB 2.050 31.772 29.762 -0.067 0.000 1.898 249 H HN -0.501 7.609 8.280 -0.283 0.000 0.540 250 K N 1.028 121.470 120.400 0.070 0.000 2.219 250 K HA 0.015 4.367 4.320 0.054 0.000 0.258 250 K C 1.339 178.022 176.600 0.138 0.000 1.008 250 K CA -0.173 56.145 56.287 0.051 0.000 0.928 250 K CB 0.676 33.168 32.500 -0.013 0.000 0.983 250 K HN 0.560 8.726 8.250 0.042 0.109 0.484 251 G N 1.285 110.185 108.800 0.168 0.000 3.318 251 G HA2 -0.001 4.157 3.960 0.166 0.000 0.230 251 G HA3 -0.001 4.041 3.960 0.135 0.000 0.230 251 G C -1.573 173.441 174.900 0.190 0.000 1.317 251 G CA 0.189 45.389 45.100 0.166 0.000 1.197 251 G HN 0.787 9.192 8.290 0.192 0.000 0.514 252 Y N -4.226 116.069 120.300 -0.010 0.000 2.638 252 Y HA 0.922 5.435 4.550 -0.299 -0.143 0.335 252 Y C -2.455 173.299 175.900 -0.244 0.000 1.155 252 Y CA -2.322 55.640 58.100 -0.229 0.000 1.046 252 Y CB 2.390 40.673 38.460 -0.296 0.000 1.303 252 Y HN -0.539 7.570 8.280 -0.061 0.135 0.460 253 G N -2.456 106.094 108.800 -0.417 0.000 2.623 253 G HA2 0.477 4.217 3.960 -0.367 0.000 0.290 253 G HA3 0.477 4.253 3.960 -0.307 0.000 0.290 253 G C -3.442 171.191 174.900 -0.445 0.000 1.437 253 G CA -0.041 44.827 45.100 -0.387 0.000 0.798 253 G HN 0.542 8.528 8.290 -0.507 0.000 0.488 254 F N -0.840 119.090 119.950 -0.032 0.000 2.375 254 F HA 0.613 5.313 4.527 0.072 -0.129 0.361 254 F C -0.288 175.459 175.800 -0.088 0.000 1.117 254 F CA -0.919 57.092 58.000 0.019 0.000 1.037 254 F CB 2.229 41.282 39.000 0.088 0.000 1.192 254 F HN -0.117 8.273 8.300 0.149 0.000 0.452 255 I N 3.830 124.389 120.570 -0.018 0.000 2.412 255 I HA 0.460 4.694 4.170 -0.148 -0.153 0.296 255 I C -1.830 174.278 176.117 -0.015 0.000 0.987 255 I CA -1.005 60.198 61.300 -0.161 0.000 1.180 255 I CB 3.262 40.939 38.000 -0.538 0.000 1.340 255 I HN 0.609 8.805 8.210 -0.023 0.000 0.455 256 E N 5.762 125.933 120.200 -0.048 0.000 2.155 256 E HA 0.410 4.850 4.350 0.150 0.000 0.264 256 E C -1.828 174.765 176.600 -0.012 0.000 0.886 256 E CA -2.159 54.270 56.400 0.048 0.000 0.752 256 E CB 3.046 32.775 29.700 0.049 0.000 1.133 256 E HN 0.727 8.916 8.360 -0.128 0.094 0.414 257 Y N 6.534 126.863 120.300 0.049 0.000 2.307 257 Y HA 0.076 4.822 4.550 0.044 -0.169 0.324 257 Y C 0.484 176.416 175.900 0.052 0.000 1.238 257 Y CA 0.666 58.800 58.100 0.057 0.000 1.280 257 Y CB 1.662 40.174 38.460 0.085 0.000 1.248 257 Y HN -0.193 8.323 8.280 0.393 0.000 0.508 258 E N 0.011 120.321 120.200 0.185 0.000 2.385 258 E HA -0.069 4.340 4.350 0.098 0.000 0.194 258 E C 0.157 176.833 176.600 0.126 0.000 1.013 258 E CA 0.938 57.409 56.400 0.119 0.000 0.866 258 E CB 0.678 30.421 29.700 0.071 0.000 0.832 258 E HN -0.066 8.400 8.360 0.177 0.000 0.500 259 K N -1.115 119.391 120.400 0.177 0.000 2.378 259 K HA 0.296 4.667 4.320 0.085 0.000 0.252 259 K C -0.975 175.683 176.600 0.096 0.000 0.931 259 K CA -1.366 54.992 56.287 0.119 0.000 0.794 259 K CB 2.210 34.773 32.500 0.107 0.000 1.181 259 K HN -0.375 7.993 8.250 0.275 0.046 0.425 260 A N 5.189 128.042 122.820 0.054 0.000 2.014 260 A HA -0.187 4.152 4.320 0.032 0.000 0.218 260 A C 1.964 179.540 177.584 -0.014 0.000 1.163 260 A CA 2.765 54.817 52.037 0.024 0.000 0.652 260 A CB -0.612 18.402 19.000 0.024 0.000 0.808 260 A HN 0.800 8.979 8.150 0.049 0.000 0.449 261 Q N -1.025 118.772 119.800 -0.005 0.000 2.016 261 Q HA -0.225 4.100 4.340 -0.025 0.000 0.200 261 Q C 2.576 178.541 176.000 -0.059 0.000 0.978 261 Q CA 2.944 58.734 55.803 -0.021 0.000 0.833 261 Q CB -0.997 27.741 28.738 0.000 0.000 0.895 261 Q HN 0.204 8.460 8.270 0.016 0.024 0.427 262 S N -0.419 115.250 115.700 -0.052 0.000 2.399 262 S HA -0.294 4.312 4.470 -0.040 -0.159 0.231 262 S C 2.502 176.813 174.600 -0.482 0.000 1.022 262 S CA 3.349 61.485 58.200 -0.107 0.000 0.983 262 S CB -1.054 62.217 63.200 0.118 0.000 0.803 262 S HN -0.085 8.228 8.310 0.005 0.000 0.480 263 S N 1.275 116.627 115.700 -0.580 0.000 2.359 263 S HA -0.392 3.293 4.470 -1.308 0.000 0.224 263 S C 1.759 176.193 174.600 -0.278 0.000 1.035 263 S CA 3.773 61.590 58.200 -0.639 0.000 1.018 263 S CB -0.223 62.838 63.200 -0.231 0.000 0.876 263 S HN -0.492 7.617 8.310 -0.316 0.011 0.448 264 Q N 0.097 119.803 119.800 -0.157 0.000 2.167 264 Q HA -0.321 3.985 4.340 -0.058 0.000 0.202 264 Q C 2.415 178.358 176.000 -0.095 0.000 0.970 264 Q CA 3.076 58.828 55.803 -0.086 0.000 0.855 264 Q CB -0.207 28.498 28.738 -0.055 0.000 0.911 264 Q HN -0.573 7.529 8.270 -0.146 0.081 0.438 265 D N -0.126 120.205 120.400 -0.116 0.000 2.117 265 D HA -0.294 4.271 4.640 -0.124 0.000 0.197 265 D C 1.542 177.753 176.300 -0.150 0.000 0.987 265 D CA 3.400 57.327 54.000 -0.123 0.000 0.829 265 D CB -0.110 40.636 40.800 -0.090 0.000 0.961 265 D HN -0.492 7.719 8.370 -0.129 0.081 0.460 266 A N -0.575 122.205 122.820 -0.067 0.000 1.877 266 A HA -0.307 4.128 4.320 0.192 0.000 0.216 266 A C 1.924 179.499 177.584 -0.015 0.000 1.186 266 A CA 3.061 55.151 52.037 0.088 0.000 0.620 266 A CB -0.326 18.813 19.000 0.232 0.000 0.822 266 A HN -0.246 7.824 8.150 -0.134 0.000 0.443 267 V N -2.098 117.815 119.914 -0.002 0.000 2.380 267 V HA -0.556 3.605 4.120 0.068 0.000 0.251 267 V C 2.181 178.257 176.094 -0.030 0.000 1.063 267 V CA 4.457 66.769 62.300 0.019 0.000 1.055 267 V CB -0.315 31.524 31.823 0.027 0.000 0.657 267 V HN -0.133 8.043 8.190 -0.024 0.000 0.455 268 S N -0.383 115.270 115.700 -0.078 0.000 2.447 268 S HA -0.179 4.251 4.470 -0.065 0.000 0.233 268 S C 1.016 175.541 174.600 -0.125 0.000 1.006 268 S CA 3.154 61.296 58.200 -0.096 0.000 0.957 268 S CB -0.038 63.093 63.200 -0.114 0.000 0.773 268 S HN -0.432 7.796 8.310 -0.092 0.026 0.507 269 S N 0.326 115.917 115.700 -0.180 0.000 2.575 269 S HA 0.181 4.564 4.470 -0.146 0.000 0.230 269 S C 1.023 175.577 174.600 -0.078 0.000 1.062 269 S CA 1.956 60.037 58.200 -0.198 0.000 0.913 269 S CB 0.899 63.826 63.200 -0.455 0.000 0.837 269 S HN -0.360 7.681 8.310 -0.193 0.153 0.487 270 M N 1.886 121.451 119.600 -0.058 0.000 2.549 270 M HA -0.174 4.285 4.480 -0.035 0.000 0.260 270 M C 1.791 178.142 176.300 0.084 0.000 1.076 270 M CA 1.070 56.347 55.300 -0.038 0.000 1.090 270 M CB -1.295 31.175 32.600 -0.216 0.000 1.418 270 M HN 0.586 8.827 8.290 -0.083 0.000 0.486 271 N N 0.638 119.373 118.700 0.059 0.000 2.188 271 N HA -0.201 4.592 4.740 0.087 0.000 0.184 271 N C 0.896 176.488 175.510 0.137 0.000 1.018 271 N CA 2.338 55.433 53.050 0.075 0.000 0.858 271 N CB 0.024 38.520 38.487 0.015 0.000 0.989 271 N HN -0.303 8.034 8.380 0.015 0.052 0.426 272 L N -4.578 116.725 121.223 0.134 0.000 2.552 272 L HA -0.121 4.349 4.340 0.217 0.000 0.227 272 L C -0.196 176.919 176.870 0.408 0.000 1.146 272 L CA -0.086 54.892 54.840 0.230 0.000 0.858 272 L CB -1.173 40.950 42.059 0.106 0.000 0.969 272 L HN -0.579 7.573 8.230 0.080 0.126 0.451 273 F N 2.960 122.990 119.950 0.133 0.000 2.452 273 F HA -0.318 4.255 4.527 0.077 0.000 0.358 273 F C -0.622 175.218 175.800 0.067 0.000 1.141 273 F CA -0.995 57.056 58.000 0.086 0.000 1.004 273 F CB -0.565 38.462 39.000 0.044 0.000 1.046 273 F HN -0.919 7.411 8.300 0.365 0.189 0.575 274 D N 7.836 128.237 120.400 0.001 0.000 2.317 274 D HA 0.196 4.846 4.640 -0.368 -0.231 0.252 274 D C -0.712 175.336 176.300 -0.421 0.000 1.174 274 D CA -0.479 53.351 54.000 -0.284 0.000 0.866 274 D CB 0.716 41.349 40.800 -0.278 0.000 1.127 274 D HN -0.196 8.288 8.370 0.190 0.000 0.467 275 L N 7.684 128.631 121.223 -0.460 0.000 2.433 275 L HA 0.240 4.315 4.340 -0.442 0.000 0.256 275 L C 0.298 176.963 176.870 -0.342 0.000 1.063 275 L CA -0.884 53.683 54.840 -0.454 0.000 0.922 275 L CB 0.263 42.015 42.059 -0.511 0.000 1.238 275 L HN 0.670 8.558 8.230 -0.396 0.104 0.466 276 G N 2.045 110.664 108.800 -0.302 0.000 2.160 276 G HA2 -0.335 3.505 3.960 -0.200 0.000 0.244 276 G HA3 -0.335 3.466 3.960 -0.266 0.000 0.244 276 G C 0.365 175.170 174.900 -0.159 0.000 1.022 276 G CA 0.039 45.001 45.100 -0.229 0.000 0.741 276 G HN 0.727 8.849 8.290 -0.280 0.000 0.508 277 G N -2.123 106.547 108.800 -0.216 0.000 2.253 277 G HA2 -0.262 3.549 3.960 -0.249 0.000 0.209 277 G HA3 -0.262 3.614 3.960 -0.141 0.000 0.209 277 G C -1.077 173.652 174.900 -0.285 0.000 0.997 277 G CA -0.322 44.646 45.100 -0.220 0.000 0.640 277 G HN 0.346 8.749 8.290 -0.268 -0.274 0.496 278 Q N 0.424 120.079 119.800 -0.242 0.000 2.271 278 Q HA 0.236 4.485 4.340 -0.151 0.000 0.258 278 Q C -0.813 175.028 176.000 -0.265 0.000 0.936 278 Q CA -1.741 53.950 55.803 -0.185 0.000 0.909 278 Q CB 1.238 29.945 28.738 -0.051 0.000 1.253 278 Q HN -0.790 7.289 8.270 -0.202 0.070 0.440 279 Y N 2.890 123.170 120.300 -0.033 0.000 2.335 279 Y HA -0.112 4.548 4.550 -0.035 -0.131 0.331 279 Y C -0.107 175.778 175.900 -0.025 0.000 1.094 279 Y CA 1.208 59.293 58.100 -0.025 0.000 1.253 279 Y CB 0.232 38.690 38.460 -0.004 0.000 1.203 279 Y HN 0.447 8.733 8.280 0.010 0.000 0.508 280 L N 1.582 122.889 121.223 0.141 0.000 2.425 280 L HA -0.164 4.198 4.340 0.037 0.000 0.225 280 L C 0.351 177.264 176.870 0.071 0.000 1.222 280 L CA 0.651 55.553 54.840 0.103 0.000 0.832 280 L CB 1.014 43.218 42.059 0.242 0.000 1.238 280 L HN -0.012 8.210 8.230 0.174 0.113 0.533 281 R N -0.728 119.776 120.500 0.007 0.000 2.531 281 R HA 0.290 4.620 4.340 -0.016 0.000 0.293 281 R C -2.205 174.071 176.300 -0.040 0.000 1.124 281 R CA -0.980 55.080 56.100 -0.066 0.000 0.945 281 R CB 2.487 32.626 30.300 -0.268 0.000 1.195 281 R HN -0.077 8.204 8.270 0.019 0.000 0.433 282 V N 2.009 121.945 119.914 0.037 0.000 2.881 282 V HA 1.123 5.426 4.120 0.066 -0.144 0.316 282 V C -1.118 175.044 176.094 0.112 0.000 1.070 282 V CA -3.215 59.144 62.300 0.097 0.000 0.976 282 V CB 3.169 35.102 31.823 0.184 0.000 1.038 282 V HN 0.080 8.295 8.190 0.041 0.000 0.446 283 G N 1.600 110.508 108.800 0.180 0.000 2.894 283 G HA2 0.329 4.364 3.960 0.124 0.000 0.164 283 G HA3 0.329 4.400 3.960 0.184 0.000 0.164 283 G C -2.226 172.795 174.900 0.202 0.000 1.180 283 G CA -0.195 45.010 45.100 0.175 0.000 0.997 283 G HN 0.496 8.912 8.290 0.209 0.000 0.572 284 K N -1.075 119.434 120.400 0.183 0.000 2.495 284 K HA 0.249 4.708 4.320 0.231 0.000 0.268 284 K C -2.109 174.586 176.600 0.159 0.000 1.008 284 K CA -1.186 55.211 56.287 0.183 0.000 0.882 284 K CB 3.760 36.335 32.500 0.125 0.000 1.443 284 K HN -0.068 8.267 8.250 0.140 0.000 0.447 285 A N 0.535 123.476 122.820 0.202 0.000 2.309 285 A HA 0.085 4.500 4.320 0.158 0.000 0.290 285 A C -1.133 176.507 177.584 0.093 0.000 1.206 285 A CA 0.044 52.192 52.037 0.186 0.000 0.850 285 A CB 0.323 19.480 19.000 0.261 0.000 1.118 285 A HN 0.016 8.297 8.150 0.220 0.000 0.523 286 V N 3.763 123.697 119.914 0.034 0.000 3.125 286 V HA 0.019 4.163 4.120 0.040 0.000 0.249 286 V C -0.040 176.066 176.094 0.020 0.000 1.113 286 V CA 1.611 63.924 62.300 0.022 0.000 1.106 286 V CB 1.117 32.935 31.823 -0.009 0.000 0.768 286 V HN 0.668 9.203 8.190 0.005 -0.342 0.468 287 T N 0.551 115.105 114.554 -0.000 0.000 2.876 287 T HA 0.319 4.672 4.350 0.005 0.000 0.289 287 T C -2.799 171.854 174.700 -0.079 0.000 1.014 287 T CA -3.549 58.539 62.100 -0.019 0.000 0.986 287 T CB 1.835 70.689 68.868 -0.023 0.000 1.021 287 T HN -0.248 8.359 8.240 -0.006 -0.371 0.458 288 P HA 0.149 4.319 4.420 -0.417 0.000 0.254 288 P C -1.001 176.111 177.300 -0.314 0.000 1.186 288 P CA -0.751 62.175 63.100 -0.291 0.000 0.868 288 P CB -0.516 31.033 31.700 -0.250 0.000 0.856 289 P HA 0.136 4.372 4.420 -0.306 0.000 0.235 289 P C -1.729 175.334 177.300 -0.396 0.000 1.725 289 P CA -0.199 62.618 63.100 -0.472 0.000 0.894 289 P CB -1.032 30.048 31.700 -1.033 0.000 1.704 290 M N 0.007 119.418 119.600 -0.315 0.000 2.393 290 M HA 0.326 4.685 4.480 -0.202 0.000 0.299 290 M C -2.524 173.686 176.300 -0.151 0.000 1.103 290 M CA -2.793 52.365 55.300 -0.236 0.000 0.910 290 M CB 2.723 35.154 32.600 -0.281 0.000 1.659 290 M HN -0.406 7.582 8.290 -0.311 0.115 0.445 291 P HA 0.154 4.541 4.420 -0.054 0.000 0.235 291 P C -1.300 175.973 177.300 -0.046 0.000 1.765 291 P CA 0.131 63.196 63.100 -0.058 0.000 1.034 291 P CB -1.873 29.804 31.700 -0.038 0.000 1.984 292 L N 1.639 122.831 121.223 -0.051 0.000 2.968 292 L HA 0.185 4.514 4.340 -0.017 0.000 0.235 292 L C -0.626 176.238 176.870 -0.010 0.000 1.323 292 L CA -0.505 54.321 54.840 -0.024 0.000 1.159 292 L CB -0.825 41.224 42.059 -0.017 0.000 1.523 292 L HN -0.164 7.968 8.230 -0.071 0.056 0.468 293 L N 0.010 121.226 121.223 -0.012 0.000 2.297 293 L HA 0.138 4.477 4.340 -0.002 0.000 0.277 293 L C 0.277 177.146 176.870 -0.002 0.000 1.040 293 L CA -0.626 54.211 54.840 -0.006 0.000 0.867 293 L CB 0.007 42.061 42.059 -0.008 0.000 1.244 293 L HN -0.716 7.401 8.230 -0.018 0.103 0.433 294 T N 3.324 117.879 114.554 0.002 0.000 2.674 294 T HA -0.028 4.323 4.350 0.002 0.000 0.265 294 T C -1.107 173.594 174.700 0.002 0.000 1.039 294 T CA 2.105 64.207 62.100 0.003 0.000 1.150 294 T CB -0.936 67.935 68.868 0.005 0.000 0.864 294 T HN 0.470 8.712 8.240 0.004 0.000 0.427 295 P HA 0.145 4.566 4.420 0.002 0.000 0.297 295 P C -1.778 175.523 177.300 0.001 0.000 1.331 295 P CA -0.956 62.145 63.100 0.002 0.000 0.803 295 P CB 0.484 32.185 31.700 0.003 0.000 0.929 296 A N 6.502 129.323 122.820 0.001 0.000 3.063 296 A HA 0.156 4.477 4.320 0.000 0.000 0.263 296 A C -0.247 177.337 177.584 0.001 0.000 1.736 296 A CA -0.365 51.672 52.037 0.001 0.000 1.408 296 A CB -1.127 17.874 19.000 0.001 0.000 1.108 296 A HN 0.433 8.584 8.150 0.001 0.000 0.621 297 T N 0.000 114.555 114.554 0.001 0.000 3.816 297 T HA 0.000 4.351 4.350 0.001 0.000 0.228 297 T CA 0.000 62.100 62.100 0.001 0.000 1.349 297 T CB 0.000 68.869 68.868 0.001 0.000 0.612 297 T HN 0.000 8.187 8.240 0.001 0.054 0.658