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 2kxf_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 3.964 3.960 0.007 0.000 0.244 99 G C 0.000 174.906 174.900 0.010 0.000 0.946 99 G CA 0.000 45.105 45.100 0.009 0.000 0.502 100 A N 1.792 124.617 122.820 0.009 0.000 1.344 100 A HA -0.294 4.031 4.320 0.008 0.000 0.222 100 A C 0.052 177.640 177.584 0.007 0.000 0.391 100 A CA 1.636 53.678 52.037 0.009 0.000 1.096 100 A CB -0.730 18.278 19.000 0.013 0.000 1.468 100 A HN 0.025 8.180 8.150 0.008 0.000 0.722 101 M N -1.556 118.047 119.600 0.006 0.000 2.297 101 M HA -0.438 4.043 4.480 0.002 0.000 0.200 101 M C -1.113 175.189 176.300 0.004 0.000 0.414 101 M CA 0.205 55.507 55.300 0.004 0.000 0.449 101 M CB -2.407 30.195 32.600 0.003 0.000 1.436 101 M HN -0.097 8.126 8.290 0.007 0.071 0.912 102 A N 0.353 123.176 122.820 0.005 0.000 2.294 102 A HA 0.141 4.464 4.320 0.005 0.000 0.316 102 A C -0.691 176.896 177.584 0.004 0.000 1.359 102 A CA -0.387 51.653 52.037 0.006 0.000 0.956 102 A CB 0.295 19.301 19.000 0.008 0.000 1.155 102 A HN 0.001 8.155 8.150 0.007 0.000 0.544 103 Q N 3.289 123.090 119.800 0.002 0.000 2.307 103 Q HA 0.003 4.342 4.340 -0.001 0.000 0.261 103 Q C 0.081 176.081 176.000 0.002 0.000 1.051 103 Q CA -0.230 55.574 55.803 0.001 0.000 0.911 103 Q CB -0.043 28.696 28.738 0.000 0.000 1.227 103 Q HN 0.286 8.557 8.270 0.003 0.000 0.418 104 R N 4.415 124.915 120.500 0.000 0.000 2.404 104 R HA 0.181 4.523 4.340 0.004 0.000 0.237 104 R C 1.156 177.456 176.300 0.001 0.000 0.907 104 R CA -0.299 55.801 56.100 0.002 0.000 1.063 104 R CB 0.376 30.677 30.300 0.002 0.000 1.134 104 R HN 0.472 8.740 8.270 -0.003 0.000 0.529 105 Q N 1.546 121.345 119.800 -0.002 0.000 2.291 105 Q HA -0.327 4.011 4.340 -0.003 0.000 0.205 105 Q C 1.409 177.411 176.000 0.005 0.000 0.970 105 Q CA 3.357 59.160 55.803 -0.001 0.000 0.876 105 Q CB -0.268 28.468 28.738 -0.003 0.000 0.935 105 Q HN 0.648 8.855 8.270 -0.003 0.062 0.455 106 R N -2.292 118.210 120.500 0.004 0.000 2.081 106 R HA -0.257 4.085 4.340 0.005 0.000 0.235 106 R C 2.019 178.324 176.300 0.009 0.000 1.131 106 R CA 2.396 58.499 56.100 0.005 0.000 0.960 106 R CB -1.089 29.213 30.300 0.002 0.000 0.856 106 R HN 0.324 8.571 8.270 0.002 0.025 0.436 107 A N -1.120 121.706 122.820 0.010 0.000 1.968 107 A HA -0.109 4.220 4.320 0.015 0.000 0.217 107 A C 2.250 179.846 177.584 0.021 0.000 1.169 107 A CA 2.435 54.481 52.037 0.014 0.000 0.638 107 A CB -0.769 18.239 19.000 0.013 0.000 0.812 107 A HN -0.542 7.612 8.150 0.007 0.000 0.446 108 L N -1.875 119.359 121.223 0.017 0.000 2.131 108 L HA -0.387 3.967 4.340 0.025 0.000 0.210 108 L C 1.900 178.790 176.870 0.034 0.000 1.092 108 L CA 2.643 57.495 54.840 0.022 0.000 0.759 108 L CB -0.483 41.582 42.059 0.009 0.000 0.903 108 L HN -0.387 7.751 8.230 0.011 0.099 0.435 109 A N -2.714 120.124 122.820 0.029 0.000 2.019 109 A HA -0.205 4.139 4.320 0.039 0.000 0.219 109 A C 0.872 178.482 177.584 0.044 0.000 1.164 109 A CA 2.572 54.629 52.037 0.033 0.000 0.644 109 A CB -0.541 18.470 19.000 0.018 0.000 0.805 109 A HN -0.249 7.808 8.150 0.020 0.105 0.449 110 I N -3.580 117.016 120.570 0.044 0.000 2.480 110 I HA -0.328 3.881 4.170 0.065 0.000 0.251 110 I C 1.778 177.947 176.117 0.087 0.000 1.124 110 I CA 2.264 63.601 61.300 0.061 0.000 1.444 110 I CB 0.462 38.490 38.000 0.046 0.000 1.098 110 I HN -0.738 7.339 8.210 0.035 0.155 0.428 111 M N -0.327 119.316 119.600 0.072 0.000 2.394 111 M HA -0.286 4.243 4.480 0.082 0.000 0.264 111 M C 2.027 178.391 176.300 0.106 0.000 1.073 111 M CA 3.614 58.960 55.300 0.077 0.000 1.111 111 M CB 0.058 32.689 32.600 0.052 0.000 1.401 111 M HN -0.376 7.841 8.290 0.055 0.106 0.448 112 C N -2.624 116.744 119.300 0.113 0.000 2.491 112 C HA -0.180 4.384 4.460 0.174 0.000 0.277 112 C C -0.815 174.306 174.990 0.219 0.000 1.455 112 C CA 1.704 60.819 59.018 0.162 0.000 1.758 112 C CB -0.770 27.048 27.740 0.130 0.000 1.745 112 C HN -0.036 8.218 8.230 0.091 0.031 0.558 113 R N -1.482 119.129 120.500 0.185 0.000 2.532 113 R HA 0.663 5.314 4.340 0.167 -0.211 0.295 113 R C -0.999 175.433 176.300 0.219 0.000 0.968 113 R CA -1.318 54.906 56.100 0.206 0.000 0.916 113 R CB 2.349 32.800 30.300 0.253 0.000 1.124 113 R HN -0.554 7.617 8.270 0.157 0.193 0.463 114 V N 2.765 122.789 119.914 0.185 0.000 2.487 114 V HA 0.324 4.539 4.120 0.159 0.000 0.298 114 V C -2.299 173.807 176.094 0.021 0.000 1.028 114 V CA -2.639 59.747 62.300 0.144 0.000 0.860 114 V CB 3.894 35.830 31.823 0.189 0.000 0.991 114 V HN 0.762 8.918 8.190 0.129 0.112 0.427 115 Y N 10.306 130.505 120.300 -0.168 0.000 2.539 115 Y HA 0.186 4.388 4.550 -0.800 -0.132 0.352 115 Y C -1.053 174.712 175.900 -0.224 0.000 1.004 115 Y CA -0.901 56.934 58.100 -0.442 0.000 1.278 115 Y CB -0.316 37.866 38.460 -0.463 0.000 1.136 115 Y HN 0.446 8.818 8.280 0.152 0.000 0.528 116 V N 7.291 126.882 119.914 -0.539 0.000 2.364 116 V HA 0.912 5.170 4.120 -0.155 -0.231 0.272 116 V C -1.108 174.696 176.094 -0.483 0.000 1.036 116 V CA -2.979 59.127 62.300 -0.324 0.000 0.880 116 V CB -0.289 31.467 31.823 -0.112 0.000 0.991 116 V HN 0.679 8.521 8.190 -0.581 0.000 0.460 117 G N 5.216 113.812 108.800 -0.340 0.000 2.389 117 G HA2 0.529 4.333 3.960 -0.260 0.000 0.328 117 G HA3 0.529 4.450 3.960 -0.065 0.000 0.328 117 G C -0.591 174.300 174.900 -0.014 0.000 1.133 117 G CA -1.708 43.275 45.100 -0.195 0.000 0.891 117 G HN 0.683 8.755 8.290 -0.166 0.119 0.485 118 S N 4.684 120.401 115.700 0.028 0.000 1.991 118 S HA -0.645 3.847 4.470 0.037 0.000 0.246 118 S C 0.383 174.996 174.600 0.021 0.000 0.933 118 S CA 3.756 61.979 58.200 0.039 0.000 1.899 118 S CB -0.507 62.730 63.200 0.062 0.000 1.228 118 S HN 0.807 9.147 8.310 0.049 0.000 0.496 119 I N -3.018 117.586 120.570 0.056 0.000 4.889 119 I HA -0.558 3.685 4.170 0.122 0.000 0.039 119 I C -1.776 174.443 176.117 0.170 0.000 0.635 119 I CA 2.865 64.224 61.300 0.098 0.000 0.303 119 I CB -0.498 37.555 38.000 0.088 0.000 0.372 119 I HN -0.080 8.101 8.210 0.057 0.063 0.151 120 Y N -4.379 115.860 120.300 -0.102 0.000 2.601 120 Y HA -0.002 4.472 4.550 -0.126 0.000 0.354 120 Y C -1.708 174.073 175.900 -0.198 0.000 1.270 120 Y CA -0.587 57.422 58.100 -0.153 0.000 1.386 120 Y CB 2.567 40.933 38.460 -0.156 0.000 1.362 120 Y HN -0.693 7.561 8.280 -0.043 0.000 0.504 121 Y N 3.408 123.416 120.300 -0.486 0.000 2.532 121 Y HA 0.334 4.817 4.550 -0.344 -0.140 0.337 121 Y C -0.936 174.914 175.900 -0.083 0.000 1.274 121 Y CA -0.738 57.172 58.100 -0.317 0.000 1.817 121 Y CB -1.220 37.054 38.460 -0.310 0.000 1.769 121 Y HN 0.437 8.045 8.280 -1.120 0.000 0.447 122 E N 1.444 121.731 120.200 0.145 0.000 2.094 122 E HA -0.019 4.478 4.350 0.245 0.000 0.254 122 E C -1.302 175.477 176.600 0.299 0.000 1.086 122 E CA 0.324 56.870 56.400 0.243 0.000 1.741 122 E CB 1.589 31.443 29.700 0.257 0.000 3.572 122 E HN -0.008 8.395 8.360 0.146 0.044 0.995 123 L N 1.439 122.845 121.223 0.305 0.000 2.559 123 L HA -0.068 4.380 4.340 0.180 0.000 0.274 123 L C 0.153 177.203 176.870 0.300 0.000 1.205 123 L CA 0.518 55.513 54.840 0.257 0.000 0.907 123 L CB 0.170 42.364 42.059 0.224 0.000 1.153 123 L HN -0.322 8.095 8.230 0.311 0.000 0.490 124 G N 2.181 111.069 108.800 0.147 0.000 2.537 124 G HA2 0.013 3.987 3.960 0.023 0.000 0.297 124 G HA3 0.013 3.951 3.960 -0.037 0.000 0.297 124 G C -0.027 174.859 174.900 -0.024 0.000 1.310 124 G CA -0.789 44.327 45.100 0.026 0.000 1.027 124 G HN 0.049 8.408 8.290 0.115 0.000 0.505 125 E N -0.423 119.704 120.200 -0.121 0.000 2.072 125 E HA -0.327 3.965 4.350 -0.097 0.000 0.191 125 E C 1.769 178.326 176.600 -0.072 0.000 0.985 125 E CA 3.638 59.969 56.400 -0.114 0.000 0.801 125 E CB -0.161 29.438 29.700 -0.169 0.000 0.750 125 E HN 0.335 8.574 8.360 -0.202 0.000 0.452 126 D N -2.487 117.870 120.400 -0.073 0.000 2.117 126 D HA -0.149 4.465 4.640 -0.043 0.000 0.198 126 D C 2.188 178.490 176.300 0.002 0.000 0.982 126 D CA 3.546 57.521 54.000 -0.042 0.000 0.828 126 D CB -0.386 40.382 40.800 -0.053 0.000 0.967 126 D HN 0.264 8.573 8.370 -0.102 0.000 0.464 127 T N 1.662 116.226 114.554 0.017 0.000 2.821 127 T HA -0.301 4.077 4.350 0.047 0.000 0.267 127 T C 1.901 176.665 174.700 0.107 0.000 1.046 127 T CA 3.652 65.785 62.100 0.054 0.000 1.139 127 T CB -0.118 68.784 68.868 0.056 0.000 0.871 127 T HN -0.260 7.980 8.240 -0.000 0.000 0.454 128 I N 1.032 121.669 120.570 0.112 0.000 2.226 128 I HA -0.382 3.984 4.170 0.327 0.000 0.245 128 I C 1.321 177.572 176.117 0.224 0.000 1.100 128 I CA 1.921 63.337 61.300 0.193 0.000 1.374 128 I CB -1.256 36.776 38.000 0.053 0.000 1.057 128 I HN -0.400 7.850 8.210 0.066 0.000 0.413 129 R N -0.465 120.086 120.500 0.085 0.000 2.105 129 R HA -0.523 3.850 4.340 0.055 0.000 0.239 129 R C 2.535 178.930 176.300 0.158 0.000 1.135 129 R CA 3.833 59.981 56.100 0.080 0.000 0.967 129 R CB -0.103 30.205 30.300 0.013 0.000 0.861 129 R HN -0.313 7.977 8.270 0.033 0.000 0.442 130 Q N -1.609 118.269 119.800 0.131 0.000 2.167 130 Q HA -0.217 4.180 4.340 0.096 0.000 0.202 130 Q C 1.915 178.004 176.000 0.149 0.000 0.970 130 Q CA 2.416 58.287 55.803 0.114 0.000 0.855 130 Q CB -0.066 28.715 28.738 0.071 0.000 0.911 130 Q HN -0.499 7.731 8.270 0.105 0.103 0.438 131 A N -2.625 120.324 122.820 0.215 0.000 2.072 131 A HA -0.046 4.325 4.320 0.085 0.000 0.216 131 A C 0.694 178.396 177.584 0.197 0.000 1.156 131 A CA 1.972 54.111 52.037 0.170 0.000 0.701 131 A CB 0.316 19.410 19.000 0.156 0.000 0.816 131 A HN -0.307 7.864 8.150 0.254 0.130 0.458 132 F N -3.347 116.752 119.950 0.248 0.000 2.717 132 F HA 0.045 4.985 4.527 0.688 0.000 0.295 132 F C 1.732 177.830 175.800 0.497 0.000 1.117 132 F CA 0.702 58.976 58.000 0.457 0.000 1.361 132 F CB 0.616 39.803 39.000 0.312 0.000 1.112 132 F HN -0.513 8.119 8.300 0.605 0.032 0.594 133 A N 1.064 124.133 122.820 0.414 0.000 1.917 133 A HA -0.058 4.644 4.320 0.322 -0.189 0.219 133 A C -1.045 176.624 177.584 0.143 0.000 1.182 133 A CA 3.467 55.662 52.037 0.263 0.000 0.633 133 A CB -2.780 16.307 19.000 0.145 0.000 0.819 133 A HN -0.417 7.946 8.150 0.354 0.000 0.448 134 P HA -0.204 4.121 4.420 -0.159 0.000 0.218 134 P C 0.034 177.137 177.300 -0.328 0.000 1.152 134 P CA 2.011 64.956 63.100 -0.259 0.000 0.857 134 P CB -0.136 31.236 31.700 -0.546 0.000 0.787 135 F N -3.428 116.550 119.950 0.047 0.000 2.179 135 F HA -0.097 4.430 4.527 0.001 0.000 0.292 135 F C -0.150 175.641 175.800 -0.015 0.000 1.089 135 F CA 2.285 60.282 58.000 -0.004 0.000 1.295 135 F CB 1.118 40.085 39.000 -0.055 0.000 1.041 135 F HN -0.602 7.752 8.300 0.130 0.025 0.487 136 G N -6.086 102.788 108.800 0.122 0.000 2.576 136 G HA2 0.369 4.312 3.960 -0.028 0.000 0.290 136 G HA3 0.369 4.235 3.960 -0.155 0.000 0.290 136 G C -3.281 171.714 174.900 0.159 0.000 1.442 136 G CA -0.819 44.280 45.100 -0.002 0.000 0.792 136 G HN -0.805 7.672 8.290 0.312 0.000 0.491 137 P HA 0.109 4.559 4.420 0.050 0.000 0.271 137 P C -1.522 175.868 177.300 0.149 0.000 1.233 137 P CA 0.023 63.118 63.100 -0.008 0.000 0.764 137 P CB 0.301 31.889 31.700 -0.186 0.000 0.825 138 I N 4.066 124.707 120.570 0.119 0.000 2.471 138 I HA -0.232 3.872 4.170 -0.110 0.000 0.286 138 I C 0.078 176.175 176.117 -0.033 0.000 1.079 138 I CA 0.542 61.816 61.300 -0.045 0.000 1.398 138 I CB 0.135 38.037 38.000 -0.163 0.000 1.403 138 I HN 0.179 8.456 8.210 0.110 0.000 0.530 139 K N 9.102 129.479 120.400 -0.038 0.000 2.308 139 K HA 0.039 4.361 4.320 0.003 0.000 0.197 139 K C -0.254 176.327 176.600 -0.033 0.000 1.049 139 K CA 0.422 56.703 56.287 -0.010 0.000 0.991 139 K CB 1.610 34.124 32.500 0.024 0.000 0.836 139 K HN 0.714 8.817 8.250 -0.065 0.107 0.500 140 S N -2.118 113.542 115.700 -0.066 0.000 2.535 140 S HA 0.235 4.673 4.470 -0.054 0.000 0.272 140 S C -2.472 172.073 174.600 -0.092 0.000 1.149 140 S CA -0.117 58.046 58.200 -0.062 0.000 0.888 140 S CB 2.069 65.248 63.200 -0.036 0.000 1.110 140 S HN -0.119 8.130 8.310 -0.100 0.000 0.463 141 I N 3.992 124.514 120.570 -0.081 0.000 2.478 141 I HA 0.521 4.839 4.170 -0.096 -0.205 0.287 141 I C -1.344 174.750 176.117 -0.038 0.000 1.042 141 I CA -1.080 60.167 61.300 -0.089 0.000 1.067 141 I CB 3.167 41.087 38.000 -0.133 0.000 1.233 141 I HN 0.335 8.505 8.210 -0.067 0.000 0.431 142 D N 8.670 129.084 120.400 0.024 0.000 2.428 142 D HA 0.223 4.872 4.640 0.014 0.000 0.221 142 D C -1.483 174.844 176.300 0.045 0.000 1.123 142 D CA -0.546 53.489 54.000 0.058 0.000 0.869 142 D CB 1.080 41.960 40.800 0.134 0.000 1.032 142 D HN 0.438 8.847 8.370 0.065 0.000 0.506 143 M N 4.457 124.044 119.600 -0.022 0.000 2.300 143 M HA 0.279 4.723 4.480 -0.060 0.000 0.348 143 M C -0.893 175.367 176.300 -0.066 0.000 1.151 143 M CA -2.078 53.184 55.300 -0.064 0.000 1.046 143 M CB 3.275 35.812 32.600 -0.106 0.000 1.647 143 M HN 0.052 8.324 8.290 -0.029 0.000 0.451 144 S N 3.242 118.883 115.700 -0.098 0.000 2.474 144 S HA 0.034 4.452 4.470 -0.086 0.000 0.276 144 S C -1.382 173.176 174.600 -0.069 0.000 1.227 144 S CA -0.002 58.147 58.200 -0.086 0.000 1.050 144 S CB 0.276 63.425 63.200 -0.084 0.000 0.939 144 S HN 0.160 8.421 8.310 -0.082 0.000 0.490 145 W N 5.941 127.122 121.300 -0.199 0.000 2.968 145 W HA 0.069 4.592 4.660 -0.229 0.000 0.337 145 W C -2.427 174.045 176.519 -0.078 0.000 1.060 145 W CA -0.481 56.757 57.345 -0.178 0.000 1.240 145 W CB 2.596 31.949 29.460 -0.179 0.000 1.370 145 W HN 0.175 8.400 8.180 0.075 0.000 0.459 146 D N 6.660 126.624 120.400 -0.727 0.000 2.280 146 D HA 0.249 4.662 4.640 -0.379 0.000 0.236 146 D C -0.466 175.250 176.300 -0.974 0.000 1.082 146 D CA -0.950 52.675 54.000 -0.626 0.000 0.834 146 D CB 2.058 42.630 40.800 -0.380 0.000 1.100 146 D HN -0.263 7.660 8.370 -0.745 0.000 0.486 147 S N 5.248 120.626 115.700 -0.536 0.000 2.527 147 S HA -0.016 4.238 4.470 -0.361 0.000 0.222 147 S C 0.915 175.409 174.600 -0.178 0.000 0.985 147 S CA 1.694 59.728 58.200 -0.277 0.000 0.921 147 S CB 0.427 63.651 63.200 0.040 0.000 0.772 147 S HN 0.562 8.684 8.310 -0.313 0.000 0.529 148 V N -4.728 115.067 119.914 -0.200 0.000 3.125 148 V HA 0.139 4.212 4.120 -0.078 0.000 0.249 148 V C 0.953 176.964 176.094 -0.139 0.000 1.113 148 V CA 1.882 64.108 62.300 -0.123 0.000 1.106 148 V CB 0.843 32.610 31.823 -0.093 0.000 0.768 148 V HN -0.438 7.750 8.190 -0.247 -0.146 0.468 149 T N -2.531 111.894 114.554 -0.215 0.000 2.990 149 T HA -0.006 4.268 4.350 -0.126 0.000 0.250 149 T C 0.670 175.236 174.700 -0.224 0.000 1.041 149 T CA 0.519 62.506 62.100 -0.187 0.000 1.010 149 T CB 2.200 70.960 68.868 -0.181 0.000 1.003 149 T HN 0.023 8.482 8.240 -0.288 -0.392 0.499 150 M N -2.801 116.543 119.600 -0.427 0.000 2.818 150 M HA -0.460 3.410 4.480 -1.138 -0.074 0.204 150 M C -2.266 173.766 176.300 -0.448 0.000 0.552 150 M CA 1.552 56.532 55.300 -0.532 0.000 0.687 150 M CB -2.345 30.244 32.600 -0.018 0.000 2.512 150 M HN -0.348 7.625 8.290 -0.528 0.000 0.563 151 K N -4.915 115.214 120.400 -0.452 0.000 2.499 151 K HA 0.292 4.690 4.320 0.130 0.000 0.277 151 K C -2.885 173.698 176.600 -0.029 0.000 1.025 151 K CA -1.312 54.926 56.287 -0.081 0.000 0.900 151 K CB 2.924 35.425 32.500 0.001 0.000 1.494 151 K HN -0.894 6.999 8.250 -0.541 0.033 0.442 152 H N -4.735 114.301 119.070 -0.058 0.000 3.087 152 H HA 0.279 4.763 4.556 -0.121 0.000 0.348 152 H C -1.772 173.555 175.328 -0.002 0.000 1.092 152 H CA -0.466 55.548 56.048 -0.057 0.000 1.285 152 H CB 2.527 32.282 29.762 -0.012 0.000 1.875 152 H HN 0.271 8.646 8.280 0.158 0.000 0.512 153 K N 6.338 126.689 120.400 -0.081 0.000 2.592 153 K HA 0.337 4.566 4.320 -0.151 0.000 0.212 153 K C -1.345 175.238 176.600 -0.029 0.000 1.013 153 K CA -0.824 55.406 56.287 -0.094 0.000 1.034 153 K CB -0.970 31.481 32.500 -0.082 0.000 1.292 153 K HN 0.296 8.523 8.250 -0.038 0.000 0.521 154 G N 2.068 110.856 108.800 -0.019 0.000 3.535 154 G HA2 0.141 4.175 3.960 0.124 0.000 0.169 154 G HA3 0.141 4.051 3.960 -0.083 0.000 0.169 154 G C -2.728 172.236 174.900 0.106 0.000 1.241 154 G CA 0.496 45.616 45.100 0.034 0.000 1.334 154 G HN 0.085 8.337 8.290 -0.062 0.000 0.717 155 F N -3.263 116.668 119.950 -0.031 0.000 2.789 155 F HA 1.052 5.527 4.527 -0.285 -0.119 0.319 155 F C -2.612 173.084 175.800 -0.173 0.000 1.168 155 F CA -2.886 54.968 58.000 -0.242 0.000 0.934 155 F CB 2.714 41.413 39.000 -0.502 0.000 1.375 155 F HN -0.456 7.510 8.300 -0.556 0.000 0.480 156 A N -3.084 119.673 122.820 -0.106 0.000 2.594 156 A HA 0.621 5.071 4.320 0.029 -0.112 0.295 156 A C -2.743 174.724 177.584 -0.195 0.000 1.071 156 A CA -0.751 51.241 52.037 -0.076 0.000 0.685 156 A CB 3.688 22.627 19.000 -0.102 0.000 1.285 156 A HN 0.668 8.642 8.150 -0.295 0.000 0.405 157 F N 0.137 120.089 119.950 0.004 0.000 2.332 157 F HA 0.395 5.079 4.527 0.011 -0.152 0.368 157 F C -0.743 174.977 175.800 -0.134 0.000 1.110 157 F CA -1.091 56.905 58.000 -0.007 0.000 1.087 157 F CB 2.266 41.310 39.000 0.072 0.000 1.235 157 F HN 0.540 8.900 8.300 0.281 0.109 0.470 158 V N 5.192 125.037 119.914 -0.115 0.000 2.334 158 V HA 0.088 4.020 4.120 -0.314 0.000 0.267 158 V C -1.510 174.426 176.094 -0.262 0.000 1.040 158 V CA -0.480 61.627 62.300 -0.321 0.000 0.866 158 V CB -0.348 31.101 31.823 -0.624 0.000 1.019 158 V HN 0.609 8.714 8.190 -0.142 0.000 0.468 159 E N 9.096 129.163 120.200 -0.222 0.000 2.113 159 E HA 0.541 5.082 4.350 -0.008 -0.196 0.273 159 E C -1.148 175.345 176.600 -0.178 0.000 0.924 159 E CA -2.265 54.071 56.400 -0.107 0.000 0.764 159 E CB 2.476 32.168 29.700 -0.013 0.000 1.104 159 E HN 0.644 8.878 8.360 -0.209 0.000 0.406 160 Y N 5.854 126.177 120.300 0.039 0.000 2.344 160 Y HA 0.023 4.737 4.550 0.015 -0.155 0.330 160 Y C 0.614 176.526 175.900 0.021 0.000 1.330 160 Y CA 0.291 58.405 58.100 0.024 0.000 1.479 160 Y CB 1.467 39.945 38.460 0.029 0.000 1.428 160 Y HN 0.810 9.119 8.280 0.213 0.099 0.544 161 E N -1.725 118.594 120.200 0.199 0.000 2.051 161 E HA -0.187 4.236 4.350 0.121 0.000 0.189 161 E C 0.247 176.945 176.600 0.163 0.000 0.979 161 E CA 2.771 59.260 56.400 0.149 0.000 0.803 161 E CB 0.937 30.728 29.700 0.151 0.000 0.761 161 E HN -0.131 8.350 8.360 0.202 0.000 0.451 162 V N -6.994 113.022 119.914 0.170 0.000 2.547 162 V HA 0.466 4.662 4.120 0.126 0.000 0.299 162 V C -1.726 174.399 176.094 0.052 0.000 1.040 162 V CA -3.615 58.767 62.300 0.137 0.000 0.913 162 V CB 0.839 32.820 31.823 0.264 0.000 0.992 162 V HN -0.457 7.820 8.190 0.145 0.000 0.449 163 P HA -0.016 4.558 4.420 0.084 -0.103 0.223 163 P C 0.881 178.158 177.300 -0.040 0.000 1.151 163 P CA 2.015 65.134 63.100 0.030 0.000 0.787 163 P CB 0.563 32.282 31.700 0.030 0.000 0.788 164 E N -0.549 119.574 120.200 -0.128 0.000 2.038 164 E HA -0.404 3.911 4.350 -0.059 0.000 0.195 164 E C 1.892 178.361 176.600 -0.219 0.000 1.000 164 E CA 3.869 60.138 56.400 -0.219 0.000 0.803 164 E CB -1.520 27.857 29.700 -0.539 0.000 0.750 164 E HN 0.288 8.550 8.360 -0.100 0.038 0.448 165 A N -2.300 120.289 122.820 -0.385 0.000 2.070 165 A HA -0.214 4.162 4.320 0.094 0.000 0.220 165 A C 1.394 178.688 177.584 -0.484 0.000 1.159 165 A CA 2.726 54.560 52.037 -0.339 0.000 0.656 165 A CB -0.886 17.695 19.000 -0.698 0.000 0.800 165 A HN -0.253 7.591 8.150 -0.509 0.000 0.453 166 A N -1.416 121.240 122.820 -0.274 0.000 1.878 166 A HA -0.319 4.141 4.320 0.234 0.000 0.213 166 A C 2.162 179.766 177.584 0.034 0.000 1.192 166 A CA 2.540 54.615 52.037 0.063 0.000 0.619 166 A CB -0.444 18.712 19.000 0.261 0.000 0.837 166 A HN -0.617 7.244 8.150 -0.201 0.168 0.446 167 Q N -1.619 118.192 119.800 0.017 0.000 2.124 167 Q HA -0.270 4.091 4.340 0.035 0.000 0.202 167 Q C 2.606 178.612 176.000 0.011 0.000 0.977 167 Q CA 2.379 58.198 55.803 0.026 0.000 0.850 167 Q CB -0.366 28.394 28.738 0.037 0.000 0.901 167 Q HN -0.165 8.110 8.270 0.007 0.000 0.429 168 L N 0.292 121.526 121.223 0.019 0.000 2.027 168 L HA -0.281 4.115 4.340 0.092 0.000 0.206 168 L C 1.107 177.918 176.870 -0.097 0.000 1.074 168 L CA 3.142 58.023 54.840 0.069 0.000 0.745 168 L CB -0.768 41.433 42.059 0.238 0.000 0.898 168 L HN 0.456 8.573 8.230 0.010 0.119 0.433 169 A N -1.608 120.987 122.820 -0.376 0.000 1.972 169 A HA -0.275 2.828 4.320 -2.030 0.000 0.219 169 A C 2.341 179.660 177.584 -0.441 0.000 1.169 169 A CA 2.903 54.340 52.037 -1.000 0.000 0.635 169 A CB -0.938 17.552 19.000 -0.849 0.000 0.810 169 A HN 0.082 7.961 8.150 -0.250 0.121 0.446 170 L N -2.065 119.058 121.223 -0.167 0.000 2.027 170 L HA -0.347 3.964 4.340 -0.049 0.000 0.206 170 L C 1.844 178.684 176.870 -0.050 0.000 1.074 170 L CA 2.777 57.580 54.840 -0.061 0.000 0.745 170 L CB 0.029 42.090 42.059 0.003 0.000 0.898 170 L HN -0.359 7.706 8.230 -0.121 0.093 0.433 171 E N -2.575 117.605 120.200 -0.033 0.000 2.023 171 E HA -0.355 4.001 4.350 0.009 0.000 0.196 171 E C 2.634 179.238 176.600 0.006 0.000 1.003 171 E CA 2.736 59.138 56.400 0.004 0.000 0.809 171 E CB -0.226 29.495 29.700 0.035 0.000 0.755 171 E HN -0.017 8.132 8.360 -0.036 0.189 0.449 172 Q N -3.712 116.097 119.800 0.015 0.000 2.204 172 Q HA -0.045 4.325 4.340 0.050 0.000 0.198 172 Q C 1.067 177.082 176.000 0.025 0.000 0.946 172 Q CA 2.006 57.846 55.803 0.062 0.000 0.859 172 Q CB 1.138 29.997 28.738 0.200 0.000 0.946 172 Q HN 0.031 8.298 8.270 -0.006 0.000 0.474 173 M N -2.563 116.999 119.600 -0.063 0.000 2.738 173 M HA 0.128 4.604 4.480 -0.007 0.000 0.295 173 M C -0.324 175.932 176.300 -0.074 0.000 1.266 173 M CA -0.242 55.013 55.300 -0.076 0.000 0.985 173 M CB 0.477 32.960 32.600 -0.195 0.000 1.365 173 M HN -0.713 7.382 8.290 -0.158 0.101 0.492 174 N N -0.443 118.234 118.700 -0.039 0.000 2.623 174 N HA 0.013 4.749 4.740 -0.008 0.000 0.263 174 N C -1.038 174.471 175.510 -0.002 0.000 1.218 174 N CA 0.186 53.228 53.050 -0.012 0.000 0.949 174 N CB -0.112 38.374 38.487 -0.001 0.000 1.270 174 N HN 0.325 8.607 8.380 -0.032 0.080 0.507 175 S N -1.758 113.937 115.700 -0.007 0.000 3.200 175 S HA 0.105 4.576 4.470 0.002 0.000 0.209 175 S C -1.540 173.059 174.600 -0.002 0.000 0.869 175 S CA 0.886 59.084 58.200 -0.003 0.000 0.820 175 S CB 1.761 64.956 63.200 -0.008 0.000 0.834 175 S HN -0.796 7.383 8.310 -0.018 0.121 0.622 176 V N -5.237 114.669 119.914 -0.013 0.000 3.206 176 V HA 0.881 5.185 4.120 0.003 -0.182 0.305 176 V C -1.973 174.105 176.094 -0.027 0.000 1.257 176 V CA -1.835 60.456 62.300 -0.014 0.000 1.057 176 V CB 4.206 36.011 31.823 -0.029 0.000 1.075 176 V HN -0.673 7.505 8.190 -0.021 0.000 0.443 177 M N 0.511 120.096 119.600 -0.024 0.000 2.151 177 M HA 0.268 4.719 4.480 -0.047 0.000 0.229 177 M C -1.264 174.995 176.300 -0.069 0.000 1.029 177 M CA -0.394 54.892 55.300 -0.024 0.000 0.765 177 M CB 0.890 33.522 32.600 0.054 0.000 1.969 177 M HN -0.008 8.269 8.290 -0.020 0.000 0.352 178 L N 1.834 122.984 121.223 -0.122 0.000 0.587 178 L HA -0.333 3.901 4.340 -0.178 0.000 0.356 178 L C 1.247 177.845 176.870 -0.453 0.000 0.984 178 L CA 0.376 55.090 54.840 -0.210 0.000 1.223 178 L CB -0.723 41.245 42.059 -0.152 0.000 0.012 178 L HN 0.169 8.339 8.230 -0.098 0.000 0.092 179 G N -0.541 107.916 108.800 -0.571 0.000 4.825 179 G HA2 -0.462 3.054 3.960 -0.739 0.000 0.224 179 G HA3 -0.462 2.128 3.960 -2.282 0.000 0.224 179 G C 0.288 174.832 174.900 -0.594 0.000 1.356 179 G CA 0.572 45.048 45.100 -1.040 0.000 0.966 179 G HN 0.399 8.464 8.290 -0.375 0.000 0.690 180 G N 1.842 110.383 108.800 -0.432 0.000 2.618 180 G HA2 -0.197 3.706 3.960 -0.094 0.000 0.234 180 G HA3 -0.197 3.733 3.960 -0.050 0.000 0.234 180 G C -2.013 172.917 174.900 0.050 0.000 2.826 180 G CA -0.261 44.776 45.100 -0.105 0.000 0.836 180 G HN 0.237 8.143 8.290 -0.526 0.068 0.498 181 R N 0.899 121.424 120.500 0.042 0.000 2.533 181 R HA 0.188 4.595 4.340 0.112 0.000 0.288 181 R C -2.103 174.233 176.300 0.059 0.000 1.039 181 R CA -1.716 54.450 56.100 0.109 0.000 0.909 181 R CB 3.279 33.709 30.300 0.217 0.000 1.195 181 R HN -0.478 7.771 8.270 -0.034 0.000 0.438 182 N N 5.535 124.267 118.700 0.054 0.000 2.400 182 N HA 0.068 5.105 4.740 0.028 -0.280 0.267 182 N C 0.126 175.667 175.510 0.050 0.000 1.208 182 N CA 0.182 53.256 53.050 0.040 0.000 0.951 182 N CB 0.135 38.643 38.487 0.035 0.000 1.227 182 N HN 0.156 8.572 8.380 0.060 0.000 0.488 183 I N -0.076 120.523 120.570 0.047 0.000 2.713 183 I HA 0.101 4.309 4.170 0.064 0.000 0.300 183 I C -0.987 175.163 176.117 0.055 0.000 1.009 183 I CA -1.262 60.073 61.300 0.057 0.000 1.305 183 I CB 1.200 39.241 38.000 0.067 0.000 1.430 183 I HN -0.572 7.659 8.210 0.035 0.000 0.546 184 K N 3.796 124.234 120.400 0.065 0.000 2.367 184 K HA 0.315 4.678 4.320 0.073 0.000 0.263 184 K C -1.476 175.181 176.600 0.095 0.000 1.000 184 K CA -1.859 54.481 56.287 0.087 0.000 0.891 184 K CB 0.840 33.420 32.500 0.133 0.000 1.117 184 K HN -0.243 8.041 8.250 0.056 0.000 0.443 185 V N 3.763 123.730 119.914 0.087 0.000 2.318 185 V HA 0.702 5.045 4.120 0.094 -0.166 0.271 185 V C 0.176 176.337 176.094 0.111 0.000 1.030 185 V CA -2.215 60.142 62.300 0.094 0.000 0.844 185 V CB -0.760 31.101 31.823 0.063 0.000 1.015 185 V HN 0.278 8.509 8.190 0.068 0.000 0.460 186 G N 7.824 116.728 108.800 0.173 0.000 2.733 186 G HA2 -0.308 3.745 3.960 0.156 0.000 0.686 186 G HA3 -0.308 3.705 3.960 0.089 0.000 0.686 186 G C -2.209 172.725 174.900 0.057 0.000 1.373 186 G CA -0.421 44.758 45.100 0.131 0.000 0.838 186 G HN 0.809 9.091 8.290 0.221 0.141 0.588 187 R N -0.485 119.981 120.500 -0.056 0.000 2.674 187 R HA 0.311 4.603 4.340 -0.081 0.000 0.270 187 R C -2.000 174.253 176.300 -0.078 0.000 1.492 187 R CA -1.865 54.158 56.100 -0.128 0.000 1.624 187 R CB 0.508 30.610 30.300 -0.330 0.000 1.307 187 R HN 0.153 8.400 8.270 -0.039 0.000 0.683 188 P HA 0.346 4.755 4.420 -0.017 0.000 0.219 188 P C -0.718 176.572 177.300 -0.016 0.000 1.847 188 P CA -0.808 62.284 63.100 -0.014 0.000 1.059 188 P CB -0.508 31.197 31.700 0.007 0.000 1.900 189 S N 5.865 121.548 115.700 -0.029 0.000 2.967 189 S HA -0.129 4.330 4.470 -0.018 0.000 0.254 189 S C -0.374 174.217 174.600 -0.015 0.000 1.089 189 S CA -0.059 58.127 58.200 -0.024 0.000 1.183 189 S CB -1.548 61.631 63.200 -0.035 0.000 0.848 189 S HN -0.119 8.121 8.310 -0.043 0.044 0.477 190 N N -3.095 115.600 118.700 -0.009 0.000 2.678 190 N HA -0.530 4.414 4.740 -0.001 -0.204 0.249 190 N C -2.035 173.471 175.510 -0.006 0.000 1.119 190 N CA 1.586 54.633 53.050 -0.004 0.000 0.718 190 N CB -1.302 37.185 38.487 -0.001 0.000 1.060 190 N HN 0.078 8.369 8.380 -0.007 0.084 0.552 191 I N -0.356 120.207 120.570 -0.011 0.000 2.439 191 I HA 0.138 4.303 4.170 -0.008 0.000 0.285 191 I C -0.432 175.678 176.117 -0.011 0.000 1.021 191 I CA -0.768 60.526 61.300 -0.011 0.000 1.091 191 I CB 0.255 38.246 38.000 -0.016 0.000 1.242 191 I HN -0.486 7.665 8.210 -0.014 0.051 0.439 192 G N 6.472 115.267 108.800 -0.007 0.000 2.368 192 G HA2 -0.033 3.922 3.960 -0.008 0.000 0.302 192 G HA3 -0.033 3.923 3.960 -0.006 0.000 0.302 192 G C -1.398 173.501 174.900 -0.002 0.000 1.329 192 G CA -0.216 44.880 45.100 -0.006 0.000 0.935 192 G HN -0.528 7.759 8.290 -0.005 0.000 0.590 193 Q N -0.501 119.299 119.800 -0.001 0.000 2.269 193 Q HA -0.101 4.240 4.340 0.001 0.000 0.201 193 Q C 1.152 177.155 176.000 0.004 0.000 0.946 193 Q CA 1.761 57.565 55.803 0.001 0.000 0.877 193 Q CB -0.070 28.668 28.738 0.000 0.000 0.963 193 Q HN 0.399 8.667 8.270 -0.002 0.000 0.472 194 A N -0.991 121.832 122.820 0.006 0.000 2.016 194 A HA -0.244 4.082 4.320 0.010 0.000 0.217 194 A C 1.705 179.296 177.584 0.011 0.000 1.162 194 A CA 2.330 54.373 52.037 0.010 0.000 0.662 194 A CB -1.204 17.804 19.000 0.014 0.000 0.812 194 A HN 0.193 8.318 8.150 0.004 0.028 0.450 195 Q N -1.748 118.057 119.800 0.009 0.000 2.045 195 Q HA -0.165 4.182 4.340 0.013 0.000 0.206 195 Q C -0.161 175.846 176.000 0.011 0.000 0.991 195 Q CA 4.059 59.867 55.803 0.010 0.000 0.851 195 Q CB -2.989 25.753 28.738 0.006 0.000 0.911 195 Q HN 0.673 8.920 8.270 0.006 0.027 0.418 196 P HA -0.158 4.269 4.420 0.010 0.000 0.216 196 P C 1.860 179.167 177.300 0.013 0.000 1.150 196 P CA 3.075 66.181 63.100 0.010 0.000 0.837 196 P CB -0.672 31.033 31.700 0.008 0.000 0.786 197 I N -3.076 117.502 120.570 0.012 0.000 2.233 197 I HA -0.385 3.793 4.170 0.014 0.000 0.243 197 I C 2.179 178.306 176.117 0.017 0.000 1.093 197 I CA 3.528 64.836 61.300 0.014 0.000 1.380 197 I CB -0.105 37.902 38.000 0.012 0.000 1.067 197 I HN -0.998 7.111 8.210 0.011 0.108 0.413 198 I N 1.229 121.810 120.570 0.018 0.000 2.163 198 I HA -0.578 3.605 4.170 0.021 0.000 0.243 198 I C 2.200 178.331 176.117 0.023 0.000 1.085 198 I CA 4.470 65.783 61.300 0.021 0.000 1.347 198 I CB -0.293 37.720 38.000 0.023 0.000 1.044 198 I HN 0.449 8.669 8.210 0.016 0.000 0.408 199 D N -1.023 119.389 120.400 0.021 0.000 2.144 199 D HA -0.386 4.268 4.640 0.024 0.000 0.199 199 D C 1.740 178.055 176.300 0.025 0.000 0.984 199 D CA 3.872 57.885 54.000 0.022 0.000 0.834 199 D CB 0.084 40.894 40.800 0.017 0.000 0.955 199 D HN 0.084 8.465 8.370 0.018 0.000 0.465 200 Q N -0.206 119.608 119.800 0.024 0.000 2.050 200 Q HA -0.279 4.077 4.340 0.026 0.000 0.202 200 Q C 2.560 178.582 176.000 0.037 0.000 0.980 200 Q CA 3.249 59.068 55.803 0.027 0.000 0.840 200 Q CB 0.102 28.854 28.738 0.023 0.000 0.898 200 Q HN -0.369 7.834 8.270 0.021 0.079 0.424 201 L N -1.490 119.753 121.223 0.035 0.000 2.141 201 L HA -0.328 4.044 4.340 0.053 0.000 0.209 201 L C 1.981 178.882 176.870 0.051 0.000 1.094 201 L CA 2.329 57.194 54.840 0.041 0.000 0.763 201 L CB -0.556 41.516 42.059 0.023 0.000 0.908 201 L HN -0.016 8.230 8.230 0.028 0.000 0.437 202 A N 0.441 123.288 122.820 0.044 0.000 1.892 202 A HA -0.345 4.121 4.320 0.053 -0.114 0.218 202 A C 2.426 180.045 177.584 0.058 0.000 1.188 202 A CA 3.187 55.254 52.037 0.049 0.000 0.631 202 A CB -0.887 18.137 19.000 0.039 0.000 0.822 202 A HN 0.477 8.537 8.150 0.036 0.111 0.447 203 E N -2.468 117.762 120.200 0.051 0.000 2.110 203 E HA -0.351 4.026 4.350 0.044 0.000 0.193 203 E C 2.791 179.434 176.600 0.071 0.000 0.988 203 E CA 2.986 59.415 56.400 0.049 0.000 0.804 203 E CB -0.414 29.307 29.700 0.035 0.000 0.745 203 E HN -0.321 7.992 8.360 0.043 0.073 0.458 204 E N -0.518 119.739 120.200 0.096 0.000 2.106 204 E HA -0.240 4.195 4.350 0.141 0.000 0.192 204 E C 2.306 179.077 176.600 0.284 0.000 0.984 204 E CA 2.445 58.947 56.400 0.170 0.000 0.806 204 E CB -0.172 29.629 29.700 0.169 0.000 0.750 204 E HN -0.239 8.049 8.360 0.079 0.119 0.458 205 A N -0.666 122.269 122.820 0.191 0.000 1.969 205 A HA -0.323 4.148 4.320 0.252 0.000 0.218 205 A C 1.763 179.462 177.584 0.192 0.000 1.169 205 A CA 3.007 55.161 52.037 0.195 0.000 0.635 205 A CB -0.638 18.427 19.000 0.108 0.000 0.810 205 A HN 0.538 8.573 8.150 0.127 0.190 0.445 206 R N -2.633 117.943 120.500 0.127 0.000 2.096 206 R HA -0.356 4.035 4.340 0.085 0.000 0.235 206 R C 1.847 178.188 176.300 0.069 0.000 1.127 206 R CA 2.970 59.122 56.100 0.086 0.000 0.968 206 R CB -0.033 30.299 30.300 0.053 0.000 0.861 206 R HN -0.276 7.958 8.270 0.110 0.102 0.440 207 A N -2.224 120.624 122.820 0.047 0.000 2.015 207 A HA -0.187 4.084 4.320 -0.082 0.000 0.219 207 A C 0.615 178.087 177.584 -0.187 0.000 1.163 207 A CA 2.190 54.169 52.037 -0.096 0.000 0.646 207 A CB -0.032 18.855 19.000 -0.187 0.000 0.806 207 A HN -0.587 7.500 8.150 0.087 0.115 0.448 208 F N -5.610 114.359 119.950 0.032 0.000 2.698 208 F HA -0.010 4.539 4.527 0.035 0.000 0.295 208 F C -0.895 174.946 175.800 0.069 0.000 1.124 208 F CA 0.854 58.878 58.000 0.040 0.000 1.426 208 F CB 1.167 40.184 39.000 0.028 0.000 1.120 208 F HN -0.991 7.352 8.300 0.302 0.138 0.583 209 N N -4.878 113.953 118.700 0.219 0.000 2.758 209 N HA -0.464 4.354 4.740 0.129 0.000 0.248 209 N C -1.465 174.174 175.510 0.216 0.000 1.076 209 N CA 1.155 54.311 53.050 0.177 0.000 0.696 209 N CB -2.089 36.501 38.487 0.172 0.000 0.979 209 N HN -0.204 8.129 8.380 0.193 0.163 0.550 210 R N -1.255 119.374 120.500 0.214 0.000 2.540 210 R HA 0.552 5.163 4.340 0.255 -0.118 0.287 210 R C -1.193 175.221 176.300 0.190 0.000 0.980 210 R CA -0.280 55.947 56.100 0.212 0.000 0.966 210 R CB 3.028 33.425 30.300 0.161 0.000 1.106 210 R HN -0.849 7.548 8.270 0.212 0.000 0.480 211 I N -2.111 118.592 120.570 0.221 0.000 3.108 211 I HA 0.412 4.801 4.170 0.209 -0.094 0.312 211 I C -2.950 173.354 176.117 0.311 0.000 1.095 211 I CA -2.130 59.299 61.300 0.215 0.000 1.000 211 I CB 4.075 42.152 38.000 0.128 0.000 1.229 211 I HN 0.962 9.210 8.210 0.248 0.110 0.454 212 Y N 2.470 122.840 120.300 0.116 0.000 2.393 212 Y HA 0.466 4.972 4.550 -0.073 0.000 0.341 212 Y C -2.243 173.612 175.900 -0.075 0.000 0.988 212 Y CA -2.132 55.962 58.100 -0.010 0.000 1.078 212 Y CB 3.373 41.852 38.460 0.032 0.000 1.203 212 Y HN 0.659 9.111 8.280 0.286 0.000 0.453 213 V N 2.566 122.022 119.914 -0.763 0.000 2.588 213 V HA 0.933 4.958 4.120 -0.484 -0.195 0.304 213 V C -2.485 173.115 176.094 -0.824 0.000 1.042 213 V CA -3.349 58.573 62.300 -0.629 0.000 0.877 213 V CB 3.131 34.773 31.823 -0.301 0.000 0.996 213 V HN 0.811 8.569 8.190 -0.719 0.000 0.425 214 A N 5.986 128.450 122.820 -0.593 0.000 2.387 214 A HA 0.581 4.759 4.320 -0.236 0.000 0.298 214 A C -0.347 177.171 177.584 -0.109 0.000 1.165 214 A CA -2.303 49.536 52.037 -0.330 0.000 0.814 214 A CB 2.994 21.822 19.000 -0.287 0.000 1.357 214 A HN 0.895 8.657 8.150 -0.445 0.121 0.443 215 S N -3.737 111.948 115.700 -0.025 0.000 3.587 215 S HA -0.338 4.149 4.470 0.028 0.000 0.337 215 S C -0.635 174.011 174.600 0.077 0.000 1.119 215 S CA 1.322 59.533 58.200 0.019 0.000 0.976 215 S CB -0.841 62.356 63.200 -0.006 0.000 0.922 215 S HN 0.335 8.645 8.310 -0.001 0.000 0.503 216 V N 1.598 121.576 119.914 0.107 0.000 2.421 216 V HA -0.244 3.980 4.120 0.174 0.000 0.271 216 V C -0.576 175.684 176.094 0.277 0.000 1.031 216 V CA 0.229 62.644 62.300 0.191 0.000 1.032 216 V CB -0.418 31.512 31.823 0.179 0.000 1.009 216 V HN -0.216 8.001 8.190 0.090 0.026 0.477 217 H N 8.040 127.200 119.070 0.150 0.000 3.094 217 H HA -0.065 4.841 4.556 0.035 -0.329 0.320 217 H C 1.426 176.851 175.328 0.161 0.000 1.000 217 H CA 0.949 57.056 56.048 0.098 0.000 1.413 217 H CB 1.167 30.966 29.762 0.063 0.000 1.405 217 H HN 0.351 8.816 8.280 0.309 0.000 0.586 218 Q N 5.404 124.882 119.800 -0.538 0.000 2.217 218 Q HA -0.446 3.366 4.340 -0.881 0.000 0.209 218 Q C 1.096 176.982 176.000 -0.190 0.000 0.988 218 Q CA 3.043 58.530 55.803 -0.526 0.000 0.878 218 Q CB -0.285 28.169 28.738 -0.472 0.000 0.909 218 Q HN 0.567 8.435 8.270 -0.671 0.000 0.424 219 D N -1.361 118.901 120.400 -0.229 0.000 2.305 219 D HA -0.048 4.602 4.640 0.017 0.000 0.206 219 D C 0.051 176.445 176.300 0.156 0.000 0.974 219 D CA 0.432 54.450 54.000 0.029 0.000 0.871 219 D CB 0.743 41.600 40.800 0.096 0.000 0.947 219 D HN -0.797 7.115 8.370 -0.702 0.038 0.516 220 L N 0.544 121.907 121.223 0.235 0.000 2.360 220 L HA 0.029 4.443 4.340 0.124 0.000 0.276 220 L C -0.665 176.210 176.870 0.008 0.000 1.121 220 L CA 0.199 55.131 54.840 0.154 0.000 0.845 220 L CB 0.319 42.486 42.059 0.181 0.000 1.143 220 L HN -0.526 7.728 8.230 0.276 0.141 0.452 221 S N 3.257 118.936 115.700 -0.036 0.000 2.707 221 S HA 0.133 4.469 4.470 -0.223 0.000 0.276 221 S C 0.536 175.039 174.600 -0.162 0.000 1.179 221 S CA -1.177 56.947 58.200 -0.126 0.000 0.992 221 S CB 1.134 64.307 63.200 -0.045 0.000 1.030 221 S HN -0.005 8.312 8.310 0.012 0.000 0.554 222 D N 1.601 121.897 120.400 -0.173 0.000 2.126 222 D HA -0.353 4.172 4.640 -0.192 0.000 0.190 222 D C 2.091 178.336 176.300 -0.091 0.000 1.001 222 D CA 4.820 58.732 54.000 -0.146 0.000 0.841 222 D CB -0.107 40.628 40.800 -0.109 0.000 0.949 222 D HN 0.484 8.756 8.370 -0.162 0.000 0.446 223 D N -3.340 117.025 120.400 -0.059 0.000 2.178 223 D HA -0.266 4.351 4.640 -0.038 0.000 0.201 223 D C 2.017 178.311 176.300 -0.010 0.000 0.980 223 D CA 3.069 57.050 54.000 -0.033 0.000 0.842 223 D CB 0.009 40.797 40.800 -0.021 0.000 0.948 223 D HN 0.179 8.514 8.370 -0.058 0.000 0.472 224 D N -0.255 120.144 120.400 -0.002 0.000 2.149 224 D HA -0.158 4.507 4.640 0.042 0.000 0.201 224 D C 2.231 178.576 176.300 0.076 0.000 0.972 224 D CA 3.165 57.187 54.000 0.038 0.000 0.835 224 D CB 0.098 40.926 40.800 0.047 0.000 0.966 224 D HN -0.665 7.574 8.370 -0.021 0.118 0.476 225 I N -0.569 120.027 120.570 0.044 0.000 2.252 225 I HA -0.445 3.866 4.170 0.235 0.000 0.245 225 I C 1.657 177.846 176.117 0.119 0.000 1.102 225 I CA 2.416 63.772 61.300 0.092 0.000 1.385 225 I CB -0.922 37.031 38.000 -0.078 0.000 1.064 225 I HN -0.540 7.660 8.210 -0.016 0.000 0.414 226 K N 0.664 121.063 120.400 -0.000 0.000 2.032 226 K HA -0.493 3.803 4.320 -0.041 0.000 0.209 226 K C 2.041 178.691 176.600 0.085 0.000 1.048 226 K CA 3.994 60.280 56.287 -0.001 0.000 0.927 226 K CB -0.317 32.152 32.500 -0.052 0.000 0.712 226 K HN -0.029 8.196 8.250 -0.040 0.000 0.441 227 S N -0.898 114.847 115.700 0.074 0.000 2.365 227 S HA -0.275 4.217 4.470 0.037 0.000 0.225 227 S C 2.410 177.070 174.600 0.100 0.000 1.039 227 S CA 3.504 61.743 58.200 0.066 0.000 1.033 227 S CB -0.114 63.116 63.200 0.049 0.000 0.887 227 S HN -0.134 8.020 8.310 0.055 0.189 0.447 228 V N 0.323 120.336 119.914 0.164 0.000 2.488 228 V HA -0.356 3.803 4.120 0.065 0.000 0.246 228 V C 2.727 178.944 176.094 0.205 0.000 1.046 228 V CA 3.427 65.808 62.300 0.134 0.000 1.053 228 V CB 0.092 31.970 31.823 0.092 0.000 0.679 228 V HN -0.602 7.707 8.190 0.198 0.000 0.458 229 F N 0.377 120.401 119.950 0.124 0.000 2.293 229 F HA -0.306 4.404 4.527 0.305 0.000 0.300 229 F C 1.688 177.633 175.800 0.242 0.000 1.086 229 F CA 3.648 61.783 58.000 0.225 0.000 1.375 229 F CB -0.754 38.355 39.000 0.181 0.000 1.045 229 F HN -0.319 8.369 8.300 0.646 0.000 0.516 230 E N 0.298 120.649 120.200 0.251 0.000 2.204 230 E HA -0.218 4.387 4.350 0.062 -0.217 0.195 230 E C 1.106 177.746 176.600 0.065 0.000 0.990 230 E CA 1.854 58.313 56.400 0.098 0.000 0.821 230 E CB -0.283 29.431 29.700 0.024 0.000 0.750 230 E HN 0.098 8.582 8.360 0.240 0.020 0.477 231 A N -2.195 120.633 122.820 0.012 0.000 2.119 231 A HA -0.111 4.103 4.320 -0.177 0.000 0.217 231 A C 0.878 178.211 177.584 -0.419 0.000 1.153 231 A CA 2.114 54.008 52.037 -0.238 0.000 0.692 231 A CB -0.195 18.570 19.000 -0.392 0.000 0.799 231 A HN -0.385 7.643 8.150 0.088 0.175 0.458 232 F N -4.713 115.242 119.950 0.009 0.000 2.557 232 F HA 0.195 4.716 4.527 -0.010 0.000 0.278 232 F C 0.285 176.142 175.800 0.096 0.000 1.051 232 F CA 0.967 58.975 58.000 0.014 0.000 1.357 232 F CB 2.245 41.216 39.000 -0.048 0.000 1.104 232 F HN -0.621 7.671 8.300 0.286 0.180 0.654 233 G N -2.937 106.114 108.800 0.418 0.000 2.642 233 G HA2 0.156 4.296 3.960 0.299 0.000 0.293 233 G HA3 0.156 4.670 3.960 0.679 -0.146 0.293 233 G C -2.886 172.242 174.900 0.380 0.000 1.341 233 G CA -1.603 43.782 45.100 0.475 0.000 0.916 233 G HN -0.436 8.137 8.290 0.470 0.000 0.474 234 K N 2.037 122.612 120.400 0.292 0.000 2.262 234 K HA 0.380 4.935 4.320 0.026 -0.219 0.288 234 K C -0.221 176.310 176.600 -0.115 0.000 1.090 234 K CA -1.556 54.783 56.287 0.087 0.000 0.918 234 K CB -0.622 31.934 32.500 0.094 0.000 1.139 234 K HN 0.181 8.631 8.250 0.334 0.000 0.462 235 I N 6.727 127.065 120.570 -0.385 0.000 2.662 235 I HA -0.215 3.189 4.170 -1.276 0.000 0.291 235 I C -0.688 175.267 176.117 -0.270 0.000 1.046 235 I CA 0.891 61.789 61.300 -0.670 0.000 1.361 235 I CB 0.600 38.256 38.000 -0.573 0.000 1.429 235 I HN 0.586 9.208 8.210 -0.234 -0.553 0.558 236 K N 3.913 124.192 120.400 -0.203 0.000 2.306 236 K HA 0.081 4.368 4.320 -0.054 0.000 0.200 236 K C -0.103 176.465 176.600 -0.054 0.000 1.083 236 K CA 0.546 56.794 56.287 -0.066 0.000 0.959 236 K CB 2.365 34.875 32.500 0.016 0.000 0.994 236 K HN 0.912 8.888 8.250 -0.273 0.110 0.492 237 S N -2.874 112.786 115.700 -0.067 0.000 2.547 237 S HA 0.228 4.672 4.470 -0.043 0.000 0.270 237 S C -2.696 171.870 174.600 -0.057 0.000 1.150 237 S CA -0.670 57.507 58.200 -0.040 0.000 0.850 237 S CB 3.711 66.913 63.200 0.004 0.000 1.118 237 S HN 0.015 8.260 8.310 -0.108 0.000 0.461 238 C N 0.687 119.954 119.300 -0.055 0.000 2.431 238 C HA 0.790 5.208 4.460 -0.070 0.000 0.321 238 C C -0.925 174.038 174.990 -0.044 0.000 1.202 238 C CA -2.347 56.630 59.018 -0.068 0.000 1.398 238 C CB 2.641 30.322 27.740 -0.098 0.000 2.047 238 C HN 0.483 8.686 8.230 -0.046 0.000 0.465 239 T N 6.934 121.480 114.554 -0.014 0.000 3.078 239 T HA 0.275 4.732 4.350 -0.027 -0.123 0.328 239 T C -0.495 174.223 174.700 0.031 0.000 0.987 239 T CA 0.069 62.172 62.100 0.005 0.000 1.049 239 T CB 1.390 70.270 68.868 0.021 0.000 1.011 239 T HN 0.946 9.189 8.240 0.005 0.000 0.463 240 L N 5.322 126.510 121.223 -0.059 0.000 2.395 240 L HA 0.102 4.378 4.340 -0.107 0.000 0.269 240 L C -0.698 176.123 176.870 -0.083 0.000 1.133 240 L CA -1.120 53.656 54.840 -0.106 0.000 0.812 240 L CB 0.746 42.666 42.059 -0.233 0.000 1.125 240 L HN 1.132 9.833 8.230 -0.087 -0.523 0.452 241 A N 2.791 125.487 122.820 -0.206 0.000 2.655 241 A HA 0.015 4.263 4.320 -0.120 0.000 0.297 241 A C -1.858 175.675 177.584 -0.085 0.000 1.461 241 A CA 0.083 51.965 52.037 -0.259 0.000 1.146 241 A CB -0.541 17.946 19.000 -0.854 0.000 1.108 241 A HN 0.707 8.547 8.150 -0.330 0.112 0.550 242 R N 4.283 124.780 120.500 -0.005 0.000 2.460 242 R HA 0.108 4.514 4.340 0.110 0.000 0.303 242 R C -1.789 174.536 176.300 0.042 0.000 0.968 242 R CA -0.986 55.148 56.100 0.057 0.000 0.889 242 R CB 2.647 32.978 30.300 0.052 0.000 1.123 242 R HN -0.252 8.007 8.270 -0.019 0.000 0.455 243 D N 6.126 126.558 120.400 0.053 0.000 2.391 243 D HA 0.478 5.141 4.640 0.039 0.000 0.245 243 D C -1.286 175.034 176.300 0.034 0.000 1.069 243 D CA -3.370 50.656 54.000 0.044 0.000 0.831 243 D CB 3.030 43.862 40.800 0.054 0.000 1.204 243 D HN -0.021 8.388 8.370 0.064 0.000 0.503 244 P HA -0.042 4.390 4.420 0.020 0.000 0.223 244 P C -0.159 177.152 177.300 0.018 0.000 1.151 244 P CA 1.190 64.302 63.100 0.020 0.000 0.787 244 P CB 0.432 32.142 31.700 0.016 0.000 0.788 245 T N -6.803 107.763 114.554 0.020 0.000 3.145 245 T HA 0.156 4.514 4.350 0.014 0.000 0.255 245 T C 0.734 175.443 174.700 0.016 0.000 1.039 245 T CA 0.283 62.393 62.100 0.017 0.000 0.928 245 T CB -0.123 68.756 68.868 0.018 0.000 1.029 245 T HN -0.049 8.434 8.240 0.024 -0.228 0.554 246 T N -1.316 113.248 114.554 0.017 0.000 2.964 246 T HA 0.107 4.462 4.350 0.008 0.000 0.249 246 T C 1.227 175.930 174.700 0.005 0.000 1.000 246 T CA -0.474 61.632 62.100 0.010 0.000 0.992 246 T CB 1.354 70.229 68.868 0.012 0.000 1.087 246 T HN -0.456 7.651 8.240 0.021 0.145 0.489 247 G N 1.569 110.376 108.800 0.012 0.000 2.175 247 G HA2 -0.355 3.613 3.960 0.014 0.000 0.244 247 G HA3 -0.355 3.608 3.960 0.006 0.000 0.244 247 G C -1.063 173.847 174.900 0.017 0.000 0.982 247 G CA -0.059 45.048 45.100 0.011 0.000 0.641 247 G HN -0.299 8.001 8.290 0.017 0.000 0.527 248 K N -2.589 117.823 120.400 0.020 0.000 2.308 248 K HA 0.334 4.698 4.320 0.073 0.000 0.268 248 K C -2.292 174.353 176.600 0.075 0.000 0.992 248 K CA -2.007 54.304 56.287 0.040 0.000 0.836 248 K CB 1.564 34.048 32.500 -0.028 0.000 1.507 248 K HN -0.677 7.518 8.250 0.016 0.065 0.394 249 H N -2.343 116.717 119.070 -0.015 0.000 2.483 249 H HA 0.284 4.833 4.556 -0.011 0.000 0.338 249 H C 0.630 175.970 175.328 0.019 0.000 1.152 249 H CA -0.816 55.225 56.048 -0.012 0.000 1.264 249 H CB 1.583 31.325 29.762 -0.034 0.000 1.510 249 H HN 0.363 8.728 8.280 0.142 0.000 0.530 250 K N 1.215 121.650 120.400 0.058 0.000 2.365 250 K HA -0.314 4.036 4.320 0.049 0.000 0.199 250 K C 0.768 177.450 176.600 0.136 0.000 1.045 250 K CA 1.318 57.678 56.287 0.121 0.000 0.962 250 K CB 0.207 32.907 32.500 0.334 0.000 0.759 250 K HN 0.766 8.978 8.250 0.119 0.110 0.469 251 G N -3.611 105.246 108.800 0.094 0.000 2.260 251 G HA2 -0.274 3.781 3.960 -0.111 0.000 0.179 251 G HA3 -0.274 3.735 3.960 0.083 0.000 0.179 251 G C -1.749 173.334 174.900 0.304 0.000 1.002 251 G CA -0.332 44.827 45.100 0.097 0.000 0.677 251 G HN -0.317 8.002 8.290 0.123 0.045 0.486 252 Y N -2.318 118.043 120.300 0.101 0.000 2.576 252 Y HA 0.870 5.455 4.550 -0.074 -0.079 0.346 252 Y C -2.290 173.608 175.900 -0.004 0.000 1.018 252 Y CA -4.015 54.093 58.100 0.013 0.000 1.050 252 Y CB 1.744 40.254 38.460 0.084 0.000 1.280 252 Y HN -0.775 7.803 8.280 0.498 0.000 0.474 253 G N -1.965 106.679 108.800 -0.261 0.000 2.600 253 G HA2 0.597 4.452 3.960 -0.282 0.000 0.293 253 G HA3 0.597 4.431 3.960 -0.211 0.000 0.293 253 G C -3.475 171.136 174.900 -0.482 0.000 1.408 253 G CA -0.052 44.855 45.100 -0.323 0.000 0.782 253 G HN 0.731 8.837 8.290 -0.307 0.000 0.482 254 F N -3.108 116.842 119.950 -0.001 0.000 2.576 254 F HA 0.639 5.313 4.527 0.100 -0.087 0.313 254 F C -1.612 174.151 175.800 -0.061 0.000 1.078 254 F CA -1.212 56.811 58.000 0.039 0.000 0.921 254 F CB 4.861 43.901 39.000 0.068 0.000 1.232 254 F HN 0.731 8.998 8.300 0.159 0.128 0.459 255 I N -1.271 119.378 120.570 0.132 0.000 2.647 255 I HA 0.474 4.768 4.170 0.009 -0.118 0.295 255 I C -2.267 173.966 176.117 0.192 0.000 1.078 255 I CA -0.994 60.334 61.300 0.047 0.000 1.048 255 I CB 4.644 42.560 38.000 -0.139 0.000 1.239 255 I HN 0.836 9.166 8.210 0.200 0.000 0.421 256 E N 4.080 124.373 120.200 0.156 0.000 2.234 256 E HA 0.461 4.994 4.350 0.306 0.000 0.266 256 E C -1.902 174.824 176.600 0.209 0.000 0.877 256 E CA -2.158 54.379 56.400 0.228 0.000 0.758 256 E CB 4.205 33.995 29.700 0.151 0.000 1.170 256 E HN 0.493 8.879 8.360 0.043 0.000 0.415 257 Y N 4.200 124.554 120.300 0.089 0.000 2.602 257 Y HA 0.095 4.774 4.550 0.071 -0.086 0.330 257 Y C 0.188 176.130 175.900 0.069 0.000 1.114 257 Y CA -1.237 56.910 58.100 0.078 0.000 1.182 257 Y CB 2.796 41.306 38.460 0.084 0.000 1.305 257 Y HN 0.471 8.901 8.280 0.446 0.117 0.502 258 E N -1.605 118.705 120.200 0.185 0.000 2.442 258 E HA -0.010 4.395 4.350 0.092 0.000 0.195 258 E C -0.397 176.277 176.600 0.123 0.000 1.030 258 E CA 1.425 57.893 56.400 0.113 0.000 0.869 258 E CB 0.748 30.487 29.700 0.063 0.000 0.857 258 E HN 0.132 8.589 8.360 0.162 0.000 0.505 259 K N -1.353 119.159 120.400 0.186 0.000 2.507 259 K HA 0.328 4.702 4.320 0.090 0.000 0.252 259 K C -1.607 175.062 176.600 0.115 0.000 0.943 259 K CA -1.363 55.003 56.287 0.132 0.000 0.808 259 K CB 1.984 34.558 32.500 0.124 0.000 1.142 259 K HN -0.827 7.538 8.250 0.293 0.061 0.426 260 A N 4.966 127.827 122.820 0.068 0.000 2.067 260 A HA -0.219 4.127 4.320 0.043 0.000 0.219 260 A C 1.287 178.869 177.584 -0.004 0.000 1.158 260 A CA 2.813 54.872 52.037 0.036 0.000 0.661 260 A CB 0.132 19.153 19.000 0.035 0.000 0.801 260 A HN 0.505 8.707 8.150 0.060 -0.016 0.452 261 Q N -1.553 118.252 119.800 0.008 0.000 2.062 261 Q HA -0.257 4.076 4.340 -0.012 0.000 0.196 261 Q C 2.204 178.183 176.000 -0.035 0.000 0.967 261 Q CA 3.078 58.878 55.803 -0.005 0.000 0.832 261 Q CB -1.113 27.635 28.738 0.016 0.000 0.899 261 Q HN 0.251 8.501 8.270 0.030 0.039 0.442 262 S N -0.933 114.762 115.700 -0.009 0.000 2.402 262 S HA -0.225 4.524 4.470 0.027 -0.263 0.229 262 S C 2.166 176.537 174.600 -0.382 0.000 1.021 262 S CA 3.114 61.308 58.200 -0.009 0.000 0.974 262 S CB -0.614 62.724 63.200 0.231 0.000 0.800 262 S HN 0.089 8.424 8.310 0.041 0.000 0.484 263 S N 0.745 116.055 115.700 -0.649 0.000 2.402 263 S HA -0.280 2.728 4.470 -2.436 0.000 0.229 263 S C 1.986 176.314 174.600 -0.452 0.000 1.021 263 S CA 3.061 60.600 58.200 -1.101 0.000 0.974 263 S CB -0.210 62.649 63.200 -0.569 0.000 0.800 263 S HN -0.326 7.776 8.310 -0.313 0.020 0.484 264 Q N 1.165 120.825 119.800 -0.232 0.000 2.311 264 Q HA -0.235 4.047 4.340 -0.096 0.000 0.203 264 Q C 2.176 178.112 176.000 -0.107 0.000 0.954 264 Q CA 2.591 58.323 55.803 -0.118 0.000 0.885 264 Q CB -0.216 28.484 28.738 -0.062 0.000 0.963 264 Q HN -0.661 7.370 8.270 -0.203 0.117 0.471 265 D N 0.738 121.069 120.400 -0.115 0.000 2.097 265 D HA -0.310 4.296 4.640 -0.057 0.000 0.195 265 D C 1.721 177.937 176.300 -0.139 0.000 0.989 265 D CA 3.675 57.631 54.000 -0.074 0.000 0.827 265 D CB -0.175 40.630 40.800 0.008 0.000 0.966 265 D HN -0.669 7.479 8.370 -0.141 0.138 0.456 266 A N -0.275 122.458 122.820 -0.146 0.000 1.908 266 A HA -0.353 3.720 4.320 -0.412 0.000 0.218 266 A C 1.847 179.335 177.584 -0.161 0.000 1.181 266 A CA 3.262 55.194 52.037 -0.175 0.000 0.627 266 A CB -0.621 18.487 19.000 0.180 0.000 0.818 266 A HN -0.534 7.515 8.150 -0.169 0.000 0.445 267 V N -3.129 116.739 119.914 -0.076 0.000 2.392 267 V HA -0.405 3.728 4.120 0.021 0.000 0.249 267 V C 1.857 177.905 176.094 -0.076 0.000 1.059 267 V CA 3.966 66.246 62.300 -0.034 0.000 1.051 267 V CB -0.809 31.005 31.823 -0.015 0.000 0.658 267 V HN -0.334 7.715 8.190 -0.097 0.083 0.455 268 S N -2.236 113.399 115.700 -0.108 0.000 2.388 268 S HA -0.118 4.311 4.470 -0.068 0.000 0.223 268 S C 1.684 176.188 174.600 -0.159 0.000 1.034 268 S CA 2.346 60.486 58.200 -0.101 0.000 0.963 268 S CB 0.139 63.294 63.200 -0.075 0.000 0.827 268 S HN -0.668 7.455 8.310 -0.116 0.117 0.481 269 S N 0.648 116.173 115.700 -0.291 0.000 2.388 269 S HA -0.048 4.262 4.470 -0.265 0.000 0.223 269 S C 0.863 175.167 174.600 -0.494 0.000 1.034 269 S CA 2.804 60.737 58.200 -0.445 0.000 0.963 269 S CB 0.590 63.280 63.200 -0.849 0.000 0.827 269 S HN 0.149 8.274 8.310 -0.309 0.000 0.481 270 M N -3.595 115.666 119.600 -0.565 0.000 2.556 270 M HA 0.092 4.192 4.480 -0.633 0.000 0.245 270 M C -0.467 175.753 176.300 -0.134 0.000 1.128 270 M CA -1.165 53.813 55.300 -0.537 0.000 1.069 270 M CB 0.104 32.151 32.600 -0.923 0.000 1.469 270 M HN -0.163 7.707 8.290 -0.516 0.110 0.494 271 N N 1.180 119.826 118.700 -0.090 0.000 2.452 271 N HA -0.176 4.706 4.740 0.010 -0.136 0.266 271 N C 0.749 176.270 175.510 0.019 0.000 1.175 271 N CA 0.984 54.025 53.050 -0.014 0.000 0.945 271 N CB -0.255 38.218 38.487 -0.024 0.000 1.063 271 N HN -0.761 7.472 8.380 -0.145 0.059 0.472 272 L N -0.224 121.027 121.223 0.047 0.000 4.351 272 L HA -0.436 3.943 4.340 0.066 0.000 0.410 272 L C -0.948 176.037 176.870 0.192 0.000 1.150 272 L CA 0.754 55.619 54.840 0.042 0.000 0.961 272 L CB -1.814 40.175 42.059 -0.117 0.000 2.130 272 L HN 0.705 8.867 8.230 0.051 0.098 0.787 273 F N 1.835 121.817 119.950 0.053 0.000 2.438 273 F HA -0.054 4.505 4.527 0.054 0.000 0.356 273 F C -1.115 174.743 175.800 0.096 0.000 1.099 273 F CA -0.165 57.861 58.000 0.044 0.000 1.185 273 F CB 1.894 40.845 39.000 -0.082 0.000 1.115 273 F HN -0.795 7.620 8.300 0.264 0.044 0.526 274 D N 8.774 128.905 120.400 -0.448 0.000 2.374 274 D HA 0.126 4.752 4.640 -0.399 -0.226 0.240 274 D C -1.148 174.849 176.300 -0.505 0.000 1.229 274 D CA 0.318 54.037 54.000 -0.469 0.000 0.895 274 D CB 0.424 40.940 40.800 -0.472 0.000 1.046 274 D HN 0.351 8.355 8.370 -0.609 0.000 0.498 275 L N 9.072 130.188 121.223 -0.178 0.000 2.366 275 L HA 0.265 4.578 4.340 -0.046 0.000 0.266 275 L C -1.198 175.612 176.870 -0.100 0.000 1.010 275 L CA -1.122 53.716 54.840 -0.003 0.000 0.879 275 L CB 0.950 43.190 42.059 0.301 0.000 1.228 275 L HN 0.305 8.468 8.230 -0.112 0.000 0.439 276 G N 3.979 112.648 108.800 -0.219 0.000 2.142 276 G HA2 -0.254 3.495 3.960 -0.351 0.000 0.225 276 G HA3 -0.254 3.376 3.960 -0.549 0.000 0.225 276 G C 0.235 174.743 174.900 -0.653 0.000 1.015 276 G CA -0.141 44.684 45.100 -0.457 0.000 0.716 276 G HN 0.443 8.619 8.290 -0.190 0.000 0.508 277 G N -1.938 106.610 108.800 -0.420 0.000 2.182 277 G HA2 -0.347 3.492 3.960 -0.373 0.000 0.248 277 G HA3 -0.347 3.413 3.960 -0.332 0.000 0.248 277 G C -1.593 173.089 174.900 -0.362 0.000 1.042 277 G CA 0.098 44.970 45.100 -0.380 0.000 0.775 277 G HN -0.357 7.841 8.290 -0.359 -0.123 0.501 278 Q N -2.227 117.346 119.800 -0.379 0.000 2.320 278 Q HA 0.088 4.233 4.340 -0.325 0.000 0.272 278 Q C -2.346 173.481 176.000 -0.289 0.000 1.023 278 Q CA -0.904 54.734 55.803 -0.275 0.000 0.855 278 Q CB 3.710 32.440 28.738 -0.014 0.000 1.367 278 Q HN -0.510 7.529 8.270 -0.384 0.000 0.406 279 Y N 2.359 122.633 120.300 -0.043 0.000 2.535 279 Y HA 0.090 4.807 4.550 -0.049 -0.197 0.349 279 Y C 0.185 176.070 175.900 -0.025 0.000 0.992 279 Y CA -0.946 57.125 58.100 -0.049 0.000 1.248 279 Y CB -0.576 37.836 38.460 -0.080 0.000 1.124 279 Y HN 0.471 8.689 8.280 -0.103 0.000 0.520 280 L N 5.157 126.482 121.223 0.170 0.000 2.615 280 L HA -0.111 4.481 4.340 0.086 -0.201 0.271 280 L C 0.325 177.234 176.870 0.065 0.000 1.183 280 L CA 0.610 55.527 54.840 0.129 0.000 0.933 280 L CB -0.719 41.471 42.059 0.218 0.000 1.199 280 L HN 0.412 8.761 8.230 0.197 0.000 0.487 281 R N 4.907 125.387 120.500 -0.032 0.000 2.196 281 R HA 0.325 4.787 4.340 -0.043 -0.148 0.340 281 R C -0.895 175.355 176.300 -0.083 0.000 1.043 281 R CA -2.670 53.383 56.100 -0.078 0.000 0.883 281 R CB -0.410 29.779 30.300 -0.186 0.000 1.078 281 R HN 0.580 8.692 8.270 -0.062 0.121 0.462 282 V N 4.569 124.478 119.914 -0.008 0.000 2.581 282 V HA 0.866 5.146 4.120 -0.055 -0.194 0.303 282 V C -0.246 175.882 176.094 0.056 0.000 1.041 282 V CA -2.115 60.194 62.300 0.016 0.000 0.907 282 V CB 1.826 33.702 31.823 0.089 0.000 0.994 282 V HN -0.327 8.112 8.190 0.009 -0.243 0.442 283 G N 4.335 113.191 108.800 0.093 0.000 2.682 283 G HA2 0.341 4.362 3.960 0.102 0.000 0.290 283 G HA3 0.341 4.411 3.960 0.184 0.000 0.290 283 G C -3.118 171.879 174.900 0.161 0.000 1.425 283 G CA -0.499 44.685 45.100 0.140 0.000 0.807 283 G HN 0.546 8.882 8.290 0.075 0.000 0.482 284 K N -0.151 120.328 120.400 0.133 0.000 2.339 284 K HA -0.122 4.269 4.320 0.118 0.000 0.286 284 K C -0.733 175.965 176.600 0.163 0.000 1.050 284 K CA -0.039 56.322 56.287 0.124 0.000 0.956 284 K CB 0.452 33.001 32.500 0.083 0.000 0.990 284 K HN 0.223 8.541 8.250 0.113 0.000 0.475 285 A N 4.397 127.330 122.820 0.188 0.000 2.454 285 A HA -0.064 4.387 4.320 0.220 0.000 0.260 285 A C -0.214 177.436 177.584 0.109 0.000 1.106 285 A CA 0.278 52.430 52.037 0.192 0.000 0.780 285 A CB 0.338 19.478 19.000 0.234 0.000 1.044 285 A HN -0.119 8.139 8.150 0.180 0.000 0.498 286 V N -2.481 117.479 119.914 0.077 0.000 3.354 286 V HA 0.255 4.411 4.120 0.059 0.000 0.258 286 V C -0.225 175.886 176.094 0.029 0.000 1.159 286 V CA 0.672 63.003 62.300 0.051 0.000 1.125 286 V CB 0.923 32.772 31.823 0.043 0.000 0.774 286 V HN 0.177 8.651 8.190 0.075 -0.239 0.464 287 T N 0.579 115.133 114.554 0.000 0.000 2.993 287 T HA 0.340 4.684 4.350 -0.010 0.000 0.312 287 T C -2.621 172.007 174.700 -0.121 0.000 1.115 287 T CA -3.124 58.953 62.100 -0.038 0.000 1.027 287 T CB 2.116 70.959 68.868 -0.042 0.000 1.116 287 T HN -0.392 8.159 8.240 0.001 -0.310 0.464 288 P HA 0.248 4.449 4.420 -0.365 0.000 0.264 288 P C -2.168 174.896 177.300 -0.392 0.000 1.236 288 P CA -1.335 61.548 63.100 -0.362 0.000 0.811 288 P CB -0.877 30.485 31.700 -0.563 0.000 0.840 289 P HA 0.052 4.237 4.420 -0.391 0.000 0.273 289 P C -0.856 176.204 177.300 -0.399 0.000 1.428 289 P CA -0.540 62.251 63.100 -0.514 0.000 0.995 289 P CB -0.039 31.068 31.700 -0.989 0.000 1.286 290 M N 5.671 125.098 119.600 -0.288 0.000 2.220 290 M HA 0.137 4.467 4.480 -0.250 0.000 0.343 290 M C -0.844 175.363 176.300 -0.154 0.000 1.470 290 M CA -1.185 53.985 55.300 -0.218 0.000 1.161 290 M CB -0.241 32.263 32.600 -0.161 0.000 1.737 290 M HN -0.241 7.897 8.290 -0.254 0.000 0.464 291 P HA -0.054 4.314 4.420 -0.086 0.000 0.218 291 P C -0.889 176.376 177.300 -0.058 0.000 1.152 291 P CA 0.499 63.546 63.100 -0.088 0.000 0.826 291 P CB 0.249 31.904 31.700 -0.075 0.000 0.790 292 L N -0.302 120.890 121.223 -0.053 0.000 2.337 292 L HA 0.307 4.630 4.340 -0.028 0.000 0.269 292 L C -0.897 175.955 176.870 -0.031 0.000 1.018 292 L CA -0.997 53.824 54.840 -0.033 0.000 0.876 292 L CB -0.651 41.395 42.059 -0.021 0.000 1.236 292 L HN -0.319 7.872 8.230 -0.064 0.000 0.436 293 L N 7.308 128.513 121.223 -0.029 0.000 2.583 293 L HA 0.258 4.583 4.340 -0.025 0.000 0.239 293 L C -0.784 176.079 176.870 -0.012 0.000 1.347 293 L CA -0.118 54.708 54.840 -0.024 0.000 1.246 293 L CB -0.518 41.525 42.059 -0.027 0.000 1.496 293 L HN 0.511 8.723 8.230 -0.029 0.000 0.413 294 T N 0.844 115.394 114.554 -0.008 0.000 3.053 294 T HA 0.390 4.738 4.350 -0.003 0.000 0.363 294 T C -1.133 173.568 174.700 0.002 0.000 1.239 294 T CA -3.022 59.077 62.100 -0.003 0.000 1.071 294 T CB 0.396 69.262 68.868 -0.003 0.000 1.089 294 T HN -0.346 7.815 8.240 -0.009 0.074 0.527 295 P HA 0.172 4.598 4.420 0.010 0.000 0.255 295 P C -1.460 175.844 177.300 0.006 0.000 1.427 295 P CA -0.023 63.081 63.100 0.007 0.000 0.863 295 P CB -0.146 31.558 31.700 0.007 0.000 1.444 296 A N -1.682 121.141 122.820 0.005 0.000 2.569 296 A HA 0.264 4.586 4.320 0.005 0.000 0.284 296 A C -0.854 176.732 177.584 0.004 0.000 0.948 296 A CA 0.084 52.123 52.037 0.004 0.000 1.007 296 A CB 0.959 19.961 19.000 0.003 0.000 1.232 296 A HN -0.037 7.997 8.150 0.004 0.119 0.530 297 T N 0.000 114.557 114.554 0.005 0.000 3.816 297 T HA 0.000 4.352 4.350 0.003 0.000 0.228 297 T CA 0.000 62.102 62.100 0.004 0.000 1.349 297 T CB 0.000 68.870 68.868 0.003 0.000 0.612 297 T HN 0.000 8.243 8.240 0.006 0.000 0.658