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 1ly7_1_A DATA FIRST_RESID 90 DATA SEQUENCE MDETTYERLA EETLDSLAEF FEDLADKPYT FEDYDVSFGS GVLTVKLGGD DATA SEQUENCE LGTYVINKQT PNKQIWLSSP SSGPKRYDWT GKNWVYSHDG VSLHELLAAE DATA SEQUENCE LTKALKTKLD LSSLAYSGKD A 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 90 M HA 0.000 4.480 4.480 0.000 0.000 0.227 90 M C 0.000 176.295 176.300 -0.008 0.000 1.140 90 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 90 M CB 0.000 32.601 32.600 0.001 0.000 1.302 91 D N 2.292 122.683 120.400 -0.014 0.000 1.861 91 D HA 0.037 4.642 4.640 -0.057 0.000 0.637 91 D C 0.039 176.322 176.300 -0.028 0.000 0.769 91 D CA 0.511 54.488 54.000 -0.037 0.000 1.136 91 D CB 0.446 41.228 40.800 -0.029 0.000 1.415 91 D HN 0.092 8.458 8.370 -0.007 0.000 0.465 92 E N 0.149 120.349 120.200 0.001 0.000 2.285 92 E HA -0.045 4.334 4.350 0.048 0.000 0.194 92 E C 1.681 178.341 176.600 0.100 0.000 0.997 92 E CA 1.629 58.057 56.400 0.047 0.000 0.845 92 E CB -0.181 29.532 29.700 0.022 0.000 0.782 92 E HN 0.405 8.763 8.360 -0.003 0.000 0.491 93 T N -0.613 113.966 114.554 0.042 0.000 2.777 93 T HA -0.201 4.175 4.350 0.042 0.000 0.266 93 T C 1.736 176.442 174.700 0.011 0.000 1.040 93 T CA 3.872 65.990 62.100 0.030 0.000 1.141 93 T CB -0.273 68.601 68.868 0.010 0.000 0.868 93 T HN -0.216 8.005 8.240 0.019 0.030 0.444 94 T N 3.702 118.242 114.554 -0.023 0.000 3.072 94 T HA -0.184 4.125 4.350 -0.069 0.000 0.266 94 T C 0.600 175.242 174.700 -0.097 0.000 1.127 94 T CA 2.927 64.976 62.100 -0.085 0.000 1.107 94 T CB -0.497 68.279 68.868 -0.153 0.000 0.910 94 T HN -0.018 8.206 8.240 -0.027 0.000 0.513 95 Y N 2.142 122.357 120.300 -0.142 0.000 2.274 95 Y HA -0.411 4.054 4.550 -0.141 0.000 0.290 95 Y C 0.630 176.516 175.900 -0.023 0.000 1.145 95 Y CA 2.675 60.723 58.100 -0.088 0.000 1.203 95 Y CB -0.299 38.143 38.460 -0.030 0.000 0.984 95 Y HN -0.489 7.681 8.280 0.110 0.176 0.533 96 E N -4.109 115.959 120.200 -0.220 0.000 2.427 96 E HA -0.228 3.832 4.350 -0.483 0.000 0.196 96 E C 1.957 178.458 176.600 -0.165 0.000 1.028 96 E CA 1.905 58.143 56.400 -0.271 0.000 0.864 96 E CB -0.451 29.181 29.700 -0.113 0.000 0.813 96 E HN -0.507 7.811 8.360 -0.038 0.019 0.514 97 R N -1.698 118.733 120.500 -0.115 0.000 2.084 97 R HA -0.015 4.316 4.340 -0.014 0.000 0.209 97 R C 1.944 178.234 176.300 -0.017 0.000 1.173 97 R CA 1.362 57.437 56.100 -0.043 0.000 1.053 97 R CB 0.744 31.031 30.300 -0.021 0.000 0.948 97 R HN -0.447 7.559 8.270 -0.123 0.190 0.460 98 L N -0.695 120.452 121.223 -0.128 0.000 1.970 98 L HA -0.343 3.845 4.340 -0.255 0.000 0.212 98 L C 1.887 178.842 176.870 0.142 0.000 1.071 98 L CA 3.681 58.407 54.840 -0.190 0.000 0.751 98 L CB -0.769 40.929 42.059 -0.602 0.000 0.889 98 L HN 0.427 8.543 8.230 -0.191 0.000 0.432 99 A N -4.625 118.273 122.820 0.130 0.000 2.178 99 A HA -0.285 4.105 4.320 0.117 0.000 0.218 99 A C 1.939 179.522 177.584 -0.002 0.000 1.157 99 A CA 2.652 54.719 52.037 0.049 0.000 0.689 99 A CB -1.027 17.879 19.000 -0.157 0.000 0.787 99 A HN -0.356 7.813 8.150 0.031 0.000 0.465 100 E N -2.055 118.154 120.200 0.015 0.000 2.216 100 E HA -0.106 4.280 4.350 0.060 0.000 0.192 100 E C 1.712 178.387 176.600 0.124 0.000 0.973 100 E CA 2.247 58.681 56.400 0.056 0.000 0.851 100 E CB 0.219 29.931 29.700 0.021 0.000 0.804 100 E HN -0.585 7.578 8.360 0.001 0.198 0.477 101 E N -1.178 119.132 120.200 0.183 0.000 2.170 101 E HA -0.020 4.415 4.350 0.141 0.000 0.191 101 E C 1.882 178.613 176.600 0.219 0.000 0.981 101 E CA 2.350 58.878 56.400 0.215 0.000 0.830 101 E CB 0.382 30.284 29.700 0.337 0.000 0.775 101 E HN -0.258 8.122 8.360 0.200 0.100 0.470 102 T N 3.405 118.150 114.554 0.319 0.000 2.643 102 T HA -0.294 4.273 4.350 0.362 0.000 0.264 102 T C 1.460 176.244 174.700 0.140 0.000 1.045 102 T CA 5.151 67.445 62.100 0.324 0.000 1.155 102 T CB 0.053 69.185 68.868 0.439 0.000 0.863 102 T HN 0.068 8.518 8.240 0.350 0.000 0.420 103 L N -1.285 119.974 121.223 0.060 0.000 2.353 103 L HA -0.338 3.996 4.340 -0.010 0.000 0.220 103 L C 1.776 178.490 176.870 -0.261 0.000 1.133 103 L CA 2.464 57.281 54.840 -0.039 0.000 0.798 103 L CB -0.700 41.378 42.059 0.032 0.000 0.922 103 L HN -0.699 7.577 8.230 0.076 0.000 0.445 104 D N -0.069 120.236 120.400 -0.159 0.000 2.075 104 D HA -0.277 4.022 4.640 -0.569 0.000 0.196 104 D C 1.953 178.144 176.300 -0.182 0.000 0.985 104 D CA 3.456 57.311 54.000 -0.242 0.000 0.834 104 D CB -0.171 40.621 40.800 -0.014 0.000 0.987 104 D HN -0.426 7.781 8.370 -0.008 0.159 0.452 105 S N 0.919 116.587 115.700 -0.054 0.000 2.383 105 S HA -0.296 4.161 4.470 -0.021 0.000 0.229 105 S C 2.382 176.991 174.600 0.015 0.000 1.030 105 S CA 3.590 61.777 58.200 -0.022 0.000 1.002 105 S CB -0.166 63.019 63.200 -0.025 0.000 0.829 105 S HN -0.349 7.954 8.310 -0.012 0.000 0.467 106 L N 1.362 122.606 121.223 0.036 0.000 2.083 106 L HA -0.413 4.021 4.340 0.156 0.000 0.209 106 L C 1.325 178.344 176.870 0.249 0.000 1.083 106 L CA 3.933 58.873 54.840 0.166 0.000 0.752 106 L CB -0.358 41.832 42.059 0.218 0.000 0.899 106 L HN -0.299 7.927 8.230 0.016 0.013 0.433 107 A N -0.967 121.835 122.820 -0.031 0.000 1.877 107 A HA -0.379 3.983 4.320 0.070 0.000 0.216 107 A C 2.308 179.926 177.584 0.057 0.000 1.186 107 A CA 3.305 55.282 52.037 -0.100 0.000 0.620 107 A CB -1.068 17.485 19.000 -0.744 0.000 0.822 107 A HN -0.255 7.658 8.150 -0.202 0.115 0.443 108 E N -1.356 118.856 120.200 0.021 0.000 2.153 108 E HA -0.329 4.063 4.350 0.069 0.000 0.194 108 E C 2.513 179.186 176.600 0.120 0.000 0.988 108 E CA 2.574 59.015 56.400 0.069 0.000 0.811 108 E CB -0.111 29.617 29.700 0.047 0.000 0.746 108 E HN -0.562 7.767 8.360 -0.051 0.000 0.466 109 F N 2.115 122.051 119.950 -0.022 0.000 2.039 109 F HA -0.338 4.147 4.527 -0.071 0.000 0.294 109 F C 0.881 176.664 175.800 -0.029 0.000 1.130 109 F CA 2.952 60.898 58.000 -0.090 0.000 1.189 109 F CB -0.034 38.826 39.000 -0.233 0.000 0.983 109 F HN -0.396 7.927 8.300 0.230 0.115 0.471 110 F N -2.409 117.465 119.950 -0.128 0.000 2.202 110 F HA -0.321 4.010 4.527 -0.326 0.000 0.301 110 F C 1.948 177.763 175.800 0.025 0.000 1.082 110 F CA 3.482 61.414 58.000 -0.114 0.000 1.313 110 F CB -0.204 38.840 39.000 0.074 0.000 1.024 110 F HN -0.189 8.217 8.300 0.178 0.000 0.495 111 E N -2.753 117.563 120.200 0.194 0.000 2.152 111 E HA -0.266 4.193 4.350 0.182 0.000 0.192 111 E C 1.092 177.755 176.600 0.104 0.000 0.983 111 E CA 2.302 58.793 56.400 0.153 0.000 0.818 111 E CB -0.046 29.728 29.700 0.122 0.000 0.758 111 E HN -0.415 8.036 8.360 0.188 0.021 0.467 112 D N -1.100 119.320 120.400 0.033 0.000 2.183 112 D HA -0.100 4.695 4.640 0.035 -0.133 0.203 112 D C 2.574 178.864 176.300 -0.017 0.000 0.969 112 D CA 2.092 56.096 54.000 0.006 0.000 0.842 112 D CB 0.241 41.040 40.800 -0.002 0.000 0.957 112 D HN -0.500 7.741 8.370 0.008 0.134 0.484 113 L N -1.532 119.642 121.223 -0.081 0.000 2.275 113 L HA -0.243 4.087 4.340 -0.017 0.000 0.215 113 L C 1.899 178.790 176.870 0.035 0.000 1.119 113 L CA 2.621 57.438 54.840 -0.038 0.000 0.790 113 L CB -0.694 41.278 42.059 -0.145 0.000 0.919 113 L HN -0.086 7.937 8.230 -0.152 0.116 0.443 114 A N -3.127 119.796 122.820 0.171 0.000 2.070 114 A HA -0.258 4.239 4.320 0.295 0.000 0.220 114 A C 0.369 178.021 177.584 0.114 0.000 1.159 114 A CA 1.829 54.007 52.037 0.235 0.000 0.656 114 A CB -0.718 18.450 19.000 0.280 0.000 0.800 114 A HN 0.079 8.204 8.150 0.205 0.148 0.453 115 D N -2.748 117.698 120.400 0.077 0.000 2.289 115 D HA -0.012 4.661 4.640 0.055 0.000 0.207 115 D C 0.475 176.801 176.300 0.045 0.000 0.966 115 D CA 1.624 55.656 54.000 0.053 0.000 0.868 115 D CB 0.378 41.201 40.800 0.038 0.000 0.943 115 D HN -0.519 7.727 8.370 0.072 0.166 0.514 116 K N -0.417 120.020 120.400 0.060 0.000 2.174 116 K HA 0.339 4.689 4.320 0.051 0.000 0.275 116 K C -0.822 175.833 176.600 0.092 0.000 1.015 116 K CA -2.485 53.857 56.287 0.092 0.000 0.933 116 K CB 0.088 32.679 32.500 0.152 0.000 1.025 116 K HN -0.488 7.632 8.250 0.065 0.169 0.463 117 P HA 0.038 4.453 4.420 -0.008 0.000 0.245 117 P C -0.218 177.078 177.300 -0.007 0.000 1.212 117 P CA 0.774 63.884 63.100 0.016 0.000 0.774 117 P CB 0.078 31.787 31.700 0.014 0.000 0.999 118 Y N -2.058 118.157 120.300 -0.141 0.000 2.616 118 Y HA -0.082 4.370 4.550 -0.163 0.000 0.296 118 Y C -0.539 175.201 175.900 -0.266 0.000 1.154 118 Y CA -1.233 56.759 58.100 -0.179 0.000 1.325 118 Y CB -1.365 37.002 38.460 -0.155 0.000 1.007 118 Y HN -0.171 8.209 8.280 0.308 0.084 0.542 119 T N -0.514 113.583 114.554 -0.762 0.000 2.715 119 T HA -0.182 3.421 4.350 -1.244 0.000 0.320 119 T C -0.243 174.156 174.700 -0.502 0.000 1.046 119 T CA -0.477 61.115 62.100 -0.846 0.000 0.983 119 T CB 1.379 69.840 68.868 -0.679 0.000 1.183 119 T HN -0.931 6.992 8.240 -0.406 0.073 0.522 120 F N -1.913 117.919 119.950 -0.196 0.000 2.272 120 F HA -0.020 4.459 4.527 -0.079 0.000 0.316 120 F C 1.349 177.143 175.800 -0.011 0.000 1.068 120 F CA 0.261 58.224 58.000 -0.062 0.000 1.114 120 F CB 1.692 40.693 39.000 0.002 0.000 1.611 120 F HN -0.221 8.119 8.300 0.067 0.000 0.519 121 E N -1.221 119.145 120.200 0.277 0.000 2.285 121 E HA -0.074 4.337 4.350 0.102 0.000 0.194 121 E C -0.349 176.327 176.600 0.127 0.000 0.997 121 E CA 1.961 58.449 56.400 0.146 0.000 0.845 121 E CB 0.638 30.408 29.700 0.116 0.000 0.782 121 E HN 0.445 9.051 8.360 0.409 0.000 0.491 122 D N -0.950 119.542 120.400 0.153 0.000 2.772 122 D HA 0.246 4.938 4.640 0.088 0.000 0.326 122 D C -2.257 174.121 176.300 0.131 0.000 1.207 122 D CA -0.308 53.752 54.000 0.099 0.000 0.777 122 D CB 0.688 41.508 40.800 0.034 0.000 1.169 122 D HN -0.533 7.932 8.370 0.209 0.030 0.506 123 Y N 1.913 122.246 120.300 0.055 0.000 2.304 123 Y HA 0.181 4.917 4.550 0.053 -0.154 0.328 123 Y C -0.971 174.947 175.900 0.030 0.000 1.123 123 Y CA 0.384 58.516 58.100 0.053 0.000 1.218 123 Y CB 1.116 39.611 38.460 0.058 0.000 1.207 123 Y HN -0.060 8.386 8.280 0.277 0.000 0.495 124 D N 5.357 125.372 120.400 -0.641 0.000 2.609 124 D HA 0.174 4.622 4.640 -0.319 0.000 0.239 124 D C -2.242 173.724 176.300 -0.556 0.000 1.229 124 D CA -0.958 52.773 54.000 -0.449 0.000 0.808 124 D CB 4.298 44.977 40.800 -0.203 0.000 1.448 124 D HN 0.112 7.968 8.370 -0.857 0.000 0.433 125 V N 0.917 120.651 119.914 -0.299 0.000 2.709 125 V HA 0.276 4.236 4.120 -0.266 0.000 0.308 125 V C -1.017 175.036 176.094 -0.069 0.000 1.062 125 V CA -1.176 61.009 62.300 -0.191 0.000 0.901 125 V CB 2.953 34.736 31.823 -0.066 0.000 1.003 125 V HN 0.200 8.274 8.190 -0.193 0.000 0.425 126 S N 5.680 121.357 115.700 -0.038 0.000 2.647 126 S HA 0.309 4.796 4.470 0.028 0.000 0.300 126 S C -2.045 172.631 174.600 0.127 0.000 1.129 126 S CA -0.765 57.446 58.200 0.019 0.000 1.029 126 S CB 2.389 65.574 63.200 -0.025 0.000 1.007 126 S HN 0.361 8.624 8.310 -0.078 0.000 0.484 127 F N 6.603 126.538 119.950 -0.026 0.000 2.653 127 F HA 0.367 5.029 4.527 -0.018 -0.146 0.327 127 F C -1.340 174.456 175.800 -0.007 0.000 1.195 127 F CA -0.122 57.872 58.000 -0.009 0.000 0.993 127 F CB 2.277 41.290 39.000 0.020 0.000 1.259 127 F HN 0.336 8.718 8.300 0.136 0.000 0.478 128 G N 5.538 113.972 108.800 -0.610 0.000 2.472 128 G HA2 0.205 3.800 3.960 -0.608 0.000 0.199 128 G HA3 0.205 3.965 3.960 -0.334 0.000 0.199 128 G C -1.446 173.039 174.900 -0.691 0.000 1.547 128 G CA -0.133 44.604 45.100 -0.605 0.000 0.701 128 G HN 0.358 8.452 8.290 -0.327 0.000 0.623 129 S N 0.445 115.925 115.700 -0.365 0.000 2.387 129 S HA 0.101 4.429 4.470 -0.238 0.000 0.211 129 S C -0.619 173.923 174.600 -0.097 0.000 1.055 129 S CA -0.465 57.604 58.200 -0.219 0.000 1.133 129 S CB 0.829 63.930 63.200 -0.165 0.000 1.235 129 S HN -0.443 7.713 8.310 -0.257 0.000 0.425 130 G N 1.846 110.634 108.800 -0.021 0.000 2.144 130 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.218 130 G HA3 -0.234 3.705 3.960 -0.034 0.000 0.218 130 G C -1.872 173.035 174.900 0.012 0.000 0.988 130 G CA -0.170 44.925 45.100 -0.007 0.000 0.659 130 G HN 0.429 8.743 8.290 0.041 0.000 0.522 131 V N -5.253 114.698 119.914 0.061 0.000 3.232 131 V HA 0.360 4.606 4.120 0.051 -0.096 0.303 131 V C -2.262 173.938 176.094 0.176 0.000 1.311 131 V CA -1.844 60.498 62.300 0.070 0.000 1.061 131 V CB 2.668 34.499 31.823 0.014 0.000 1.085 131 V HN -0.767 7.475 8.190 0.087 0.000 0.447 132 L N 0.773 122.063 121.223 0.112 0.000 2.367 132 L HA 0.378 5.050 4.340 0.194 -0.216 0.263 132 L C -1.163 175.700 176.870 -0.012 0.000 1.473 132 L CA 0.422 55.326 54.840 0.106 0.000 0.807 132 L CB 1.794 43.903 42.059 0.084 0.000 0.968 132 L HN -0.019 8.249 8.230 0.063 0.000 0.520 133 T N 6.525 121.068 114.554 -0.017 0.000 2.727 133 T HA 0.097 4.414 4.350 -0.055 0.000 0.295 133 T C -1.488 173.130 174.700 -0.136 0.000 0.915 133 T CA 0.819 62.881 62.100 -0.062 0.000 1.066 133 T CB -0.089 68.753 68.868 -0.042 0.000 0.891 133 T HN -0.060 8.189 8.240 0.015 0.000 0.516 134 V N 8.475 128.266 119.914 -0.206 0.000 2.333 134 V HA 0.162 4.193 4.120 -0.323 -0.105 0.274 134 V C -1.404 174.570 176.094 -0.201 0.000 1.028 134 V CA -1.720 60.398 62.300 -0.303 0.000 0.851 134 V CB -0.092 31.394 31.823 -0.562 0.000 1.000 134 V HN 0.639 8.627 8.190 -0.165 0.103 0.456 135 K N 7.866 128.123 120.400 -0.239 0.000 2.322 135 K HA 0.032 4.269 4.320 -0.138 0.000 0.283 135 K C -1.101 175.415 176.600 -0.140 0.000 1.042 135 K CA 0.132 56.312 56.287 -0.177 0.000 0.958 135 K CB 0.987 33.389 32.500 -0.163 0.000 0.984 135 K HN 0.213 8.202 8.250 -0.292 0.086 0.473 136 L N 5.811 126.978 121.223 -0.092 0.000 2.892 136 L HA 0.314 4.748 4.340 0.157 0.000 0.251 136 L C -0.449 176.274 176.870 -0.245 0.000 1.339 136 L CA -1.772 53.031 54.840 -0.062 0.000 0.900 136 L CB -0.860 41.143 42.059 -0.093 0.000 1.246 136 L HN 0.178 8.330 8.230 -0.129 0.000 0.524 137 G N 0.536 109.262 108.800 -0.124 0.000 2.369 137 G HA2 -0.216 3.649 3.960 -0.157 0.000 0.287 137 G HA3 -0.216 3.779 3.960 -0.057 -0.070 0.287 137 G C -1.342 173.442 174.900 -0.192 0.000 1.009 137 G CA 1.534 46.555 45.100 -0.132 0.000 1.393 137 G HN -0.091 8.169 8.290 -0.051 0.000 0.432 138 G N 3.292 111.874 108.800 -0.362 0.000 2.556 138 G HA2 -0.108 3.801 3.960 -0.085 0.000 0.114 138 G HA3 -0.108 3.486 3.960 -0.610 0.000 0.114 138 G C -2.037 172.648 174.900 -0.358 0.000 0.956 138 G CA 1.052 45.933 45.100 -0.364 0.000 1.263 138 G HN -0.460 7.623 8.290 -0.345 0.000 0.486 139 D N -0.486 119.537 120.400 -0.628 0.000 2.448 139 D HA 0.208 4.753 4.640 -0.160 0.000 0.256 139 D C 0.930 177.067 176.300 -0.271 0.000 1.108 139 D CA 0.242 54.095 54.000 -0.246 0.000 0.848 139 D CB 1.094 41.922 40.800 0.047 0.000 1.281 139 D HN -0.123 7.333 8.370 -1.523 0.000 0.509 140 L N -1.277 119.648 121.223 -0.497 0.000 1.960 140 L HA -0.220 4.046 4.340 -0.123 0.000 0.209 140 L C 1.014 177.715 176.870 -0.282 0.000 1.090 140 L CA 2.317 56.992 54.840 -0.275 0.000 0.759 140 L CB 0.307 42.246 42.059 -0.201 0.000 0.892 140 L HN -0.016 7.570 8.230 -1.072 0.000 0.436 141 G N -5.468 103.139 108.800 -0.322 0.000 2.104 141 G HA2 -0.031 3.793 3.960 -0.227 0.000 0.055 141 G HA3 -0.031 3.772 3.960 -0.262 0.000 0.055 141 G C -2.820 171.934 174.900 -0.244 0.000 0.815 141 G CA -0.176 44.765 45.100 -0.264 0.000 1.125 141 G HN -0.643 7.426 8.290 -0.369 0.000 0.379 142 T N 2.976 117.368 114.554 -0.271 0.000 3.293 142 T HA 0.493 4.890 4.350 -0.159 -0.142 0.320 142 T C -1.352 173.223 174.700 -0.208 0.000 0.995 142 T CA -0.063 61.920 62.100 -0.195 0.000 1.041 142 T CB 2.735 71.526 68.868 -0.128 0.000 1.058 142 T HN -0.323 7.723 8.240 -0.324 0.000 0.453 143 Y N 8.267 128.521 120.300 -0.076 0.000 2.595 143 Y HA 0.126 4.825 4.550 -0.024 -0.163 0.347 143 Y C -0.614 175.225 175.900 -0.103 0.000 1.025 143 Y CA -1.089 56.969 58.100 -0.069 0.000 1.295 143 Y CB 0.020 38.439 38.460 -0.068 0.000 1.147 143 Y HN 0.581 8.861 8.280 0.000 0.000 0.515 144 V N 6.350 126.329 119.914 0.108 0.000 2.432 144 V HA 0.050 4.183 4.120 0.021 0.000 0.275 144 V C -1.118 175.038 176.094 0.104 0.000 1.043 144 V CA -0.964 61.378 62.300 0.070 0.000 0.925 144 V CB -0.010 31.855 31.823 0.070 0.000 0.985 144 V HN 0.053 8.309 8.190 0.111 0.000 0.466 145 I N 7.776 128.383 120.570 0.062 0.000 2.468 145 I HA 0.794 5.300 4.170 0.110 -0.271 0.285 145 I C -1.526 174.623 176.117 0.052 0.000 1.039 145 I CA -1.172 60.166 61.300 0.063 0.000 1.074 145 I CB 2.779 40.789 38.000 0.017 0.000 1.228 145 I HN -0.284 7.836 8.210 0.028 0.107 0.436 146 N N 5.948 124.688 118.700 0.066 0.000 2.321 146 N HA 0.419 5.173 4.740 0.022 0.000 0.290 146 N C -0.614 174.892 175.510 -0.008 0.000 1.212 146 N CA -1.103 51.961 53.050 0.024 0.000 0.767 146 N CB 3.454 41.941 38.487 0.001 0.000 1.494 146 N HN 0.018 8.472 8.380 0.124 0.000 0.479 147 K N -1.626 118.755 120.400 -0.031 0.000 2.426 147 K HA -0.036 4.222 4.320 -0.104 0.000 0.193 147 K C -0.011 176.642 176.600 0.089 0.000 1.028 147 K CA 0.642 56.918 56.287 -0.018 0.000 1.047 147 K CB 0.379 32.849 32.500 -0.050 0.000 0.821 147 K HN -0.297 7.941 8.250 -0.021 0.000 0.513 148 Q N -1.846 117.938 119.800 -0.027 0.000 1.261 148 Q HA -0.397 3.800 4.340 -0.238 0.000 0.355 148 Q C -0.897 175.121 176.000 0.031 0.000 0.992 148 Q CA 1.596 57.322 55.803 -0.127 0.000 0.652 148 Q CB -1.190 27.394 28.738 -0.256 0.000 4.564 148 Q HN -0.116 8.059 8.270 -0.058 0.060 0.538 149 T N -3.539 111.009 114.554 -0.010 0.000 3.739 149 T HA 0.340 4.805 4.350 0.192 0.000 0.306 149 T C -1.057 173.607 174.700 -0.061 0.000 0.912 149 T CA 1.048 63.171 62.100 0.038 0.000 1.117 149 T CB -0.239 68.639 68.868 0.017 0.000 1.129 149 T HN 0.163 8.346 8.240 -0.096 0.000 0.514 150 P HA -0.210 4.192 4.420 -0.030 0.000 0.211 150 P C -0.900 176.360 177.300 -0.068 0.000 0.948 150 P CA 2.059 65.135 63.100 -0.039 0.000 1.010 150 P CB 0.014 31.718 31.700 0.006 0.000 0.737 151 N N -2.611 116.052 118.700 -0.062 0.000 2.711 151 N HA -0.022 4.625 4.740 -0.156 0.000 0.263 151 N C -1.743 173.705 175.510 -0.104 0.000 1.667 151 N CA -0.376 52.618 53.050 -0.093 0.000 0.785 151 N CB 0.241 38.719 38.487 -0.014 0.000 1.231 151 N HN -0.296 8.079 8.380 -0.008 0.000 0.503 152 K N 0.360 120.553 120.400 -0.345 0.000 4.856 152 K HA -0.514 3.477 4.320 -0.548 0.000 0.306 152 K C -2.203 174.555 176.600 0.263 0.000 0.895 152 K CA 1.399 57.554 56.287 -0.219 0.000 0.963 152 K CB -1.527 30.898 32.500 -0.125 0.000 1.737 152 K HN 0.054 7.953 8.250 -0.584 0.000 0.424 153 Q N -0.026 119.946 119.800 0.287 0.000 2.374 153 Q HA 0.511 5.368 4.340 0.538 -0.194 0.250 153 Q C -1.024 175.216 176.000 0.400 0.000 0.918 153 Q CA -1.245 54.810 55.803 0.421 0.000 0.778 153 Q CB 3.304 32.292 28.738 0.417 0.000 1.328 153 Q HN -0.409 7.967 8.270 0.177 0.000 0.445 154 I N 4.722 125.469 120.570 0.296 0.000 2.363 154 I HA -0.039 4.382 4.170 0.089 -0.198 0.292 154 I C -0.406 175.976 176.117 0.441 0.000 1.075 154 I CA -0.108 61.275 61.300 0.138 0.000 1.333 154 I CB 0.730 38.530 38.000 -0.333 0.000 1.415 154 I HN 0.096 8.530 8.210 0.374 0.000 0.502 155 W N 8.654 130.013 121.300 0.098 0.000 2.287 155 W HA 0.236 5.239 4.660 0.186 -0.232 0.313 155 W C -1.249 175.347 176.519 0.128 0.000 1.267 155 W CA -1.690 55.735 57.345 0.133 0.000 1.201 155 W CB 0.609 30.122 29.460 0.088 0.000 1.196 155 W HN 0.223 8.675 8.180 0.454 0.000 0.536 156 L N 5.041 126.455 121.223 0.318 0.000 2.366 156 L HA 0.725 5.418 4.340 0.219 -0.222 0.266 156 L C -1.183 175.792 176.870 0.175 0.000 1.010 156 L CA -1.336 53.655 54.840 0.251 0.000 0.879 156 L CB 1.515 43.775 42.059 0.336 0.000 1.228 156 L HN 0.221 8.550 8.230 0.239 0.044 0.439 157 S N 6.878 122.678 115.700 0.168 0.000 2.701 157 S HA 0.073 4.711 4.470 0.053 -0.136 0.317 157 S C -1.179 173.468 174.600 0.078 0.000 1.149 157 S CA -0.235 58.023 58.200 0.098 0.000 1.052 157 S CB -0.655 62.602 63.200 0.095 0.000 1.257 157 S HN 0.523 8.850 8.310 0.190 0.097 0.532 158 S N 7.109 122.848 115.700 0.065 0.000 2.585 158 S HA 0.469 4.859 4.470 -0.134 0.000 0.277 158 S C -1.381 173.137 174.600 -0.137 0.000 1.241 158 S CA -3.524 54.672 58.200 -0.006 0.000 1.041 158 S CB 1.169 64.489 63.200 0.199 0.000 0.987 158 S HN 0.025 8.275 8.310 0.051 0.091 0.512 159 P HA -0.002 4.320 4.420 -0.163 0.000 0.239 159 P C -0.926 176.302 177.300 -0.120 0.000 1.184 159 P CA 0.688 63.664 63.100 -0.206 0.000 0.760 159 P CB 0.047 31.580 31.700 -0.278 0.000 0.884 160 S N -0.012 115.639 115.700 -0.082 0.000 2.310 160 S HA -0.153 4.293 4.470 -0.040 0.000 0.205 160 S C 0.923 175.496 174.600 -0.046 0.000 1.020 160 S CA 2.381 60.557 58.200 -0.040 0.000 0.939 160 S CB 0.274 63.475 63.200 0.002 0.000 0.919 160 S HN 0.023 8.175 8.310 -0.082 0.109 0.501 161 S N -1.574 114.096 115.700 -0.051 0.000 2.514 161 S HA 0.176 4.610 4.470 -0.060 0.000 0.223 161 S C 0.066 174.623 174.600 -0.071 0.000 1.046 161 S CA 0.071 58.230 58.200 -0.067 0.000 0.914 161 S CB 1.296 64.441 63.200 -0.092 0.000 0.807 161 S HN -0.043 8.243 8.310 -0.041 0.000 0.497 162 G N 1.617 110.377 108.800 -0.067 0.000 2.297 162 G HA2 -0.204 3.821 3.960 -0.050 0.000 0.209 162 G HA3 -0.204 3.718 3.960 -0.064 0.000 0.209 162 G C -3.264 171.596 174.900 -0.067 0.000 1.267 162 G CA -0.650 44.413 45.100 -0.061 0.000 1.127 162 G HN -0.817 7.438 8.290 -0.057 0.000 0.498 163 P HA 0.044 4.548 4.420 -0.020 -0.096 0.267 163 P C -1.389 175.773 177.300 -0.229 0.000 1.200 163 P CA -0.124 62.900 63.100 -0.126 0.000 0.772 163 P CB 0.348 31.915 31.700 -0.223 0.000 0.855 164 K N 1.501 121.775 120.400 -0.211 0.000 2.545 164 K HA 0.244 4.368 4.320 -0.328 0.000 0.252 164 K C -0.816 175.694 176.600 -0.151 0.000 0.948 164 K CA -1.556 54.548 56.287 -0.306 0.000 0.827 164 K CB 2.108 34.326 32.500 -0.470 0.000 1.128 164 K HN 0.242 8.449 8.250 -0.084 -0.008 0.429 165 R N 5.885 126.376 120.500 -0.015 0.000 2.441 165 R HA -0.005 4.325 4.340 -0.016 0.000 0.300 165 R C -0.648 175.802 176.300 0.250 0.000 1.284 165 R CA -0.187 55.938 56.100 0.041 0.000 1.069 165 R CB -0.954 29.319 30.300 -0.045 0.000 1.087 165 R HN 0.635 8.991 8.270 0.143 0.000 0.519 166 Y N 6.352 126.864 120.300 0.353 0.000 2.336 166 Y HA -0.115 4.718 4.550 0.472 0.000 0.335 166 Y C -1.017 175.173 175.900 0.483 0.000 1.046 166 Y CA 1.310 59.659 58.100 0.415 0.000 1.198 166 Y CB 0.736 39.403 38.460 0.345 0.000 1.182 166 Y HN 0.098 8.692 8.280 0.522 0.000 0.502 167 D N 1.380 122.112 120.400 0.552 0.000 2.326 167 D HA 0.333 5.318 4.640 0.575 0.000 0.248 167 D C -1.586 174.995 176.300 0.467 0.000 1.001 167 D CA -0.943 53.347 54.000 0.482 0.000 0.961 167 D CB 4.114 45.058 40.800 0.239 0.000 1.183 167 D HN -0.123 8.517 8.370 0.450 0.000 0.502 168 W N 0.939 122.276 121.300 0.061 0.000 2.388 168 W HA -0.072 4.253 4.660 -0.559 0.000 0.308 168 W C -1.265 175.159 176.519 -0.157 0.000 1.263 168 W CA -0.085 57.074 57.345 -0.310 0.000 1.286 168 W CB 0.611 29.783 29.460 -0.480 0.000 1.294 168 W HN 0.470 8.903 8.180 0.422 0.000 0.493 169 T N 5.557 119.674 114.554 -0.728 0.000 2.930 169 T HA 0.270 4.395 4.350 -0.375 0.000 0.313 169 T C 0.262 174.520 174.700 -0.735 0.000 1.019 169 T CA -1.293 60.490 62.100 -0.529 0.000 1.004 169 T CB 1.541 70.270 68.868 -0.232 0.000 0.987 169 T HN 0.167 7.850 8.240 -0.928 0.000 0.456 170 G N 7.618 116.044 108.800 -0.623 0.000 4.430 170 G HA2 -0.548 3.260 3.960 -0.254 0.000 0.332 170 G HA3 -0.548 3.210 3.960 -0.337 0.000 0.332 170 G C -0.919 173.606 174.900 -0.624 0.000 1.338 170 G CA 2.083 46.914 45.100 -0.449 0.000 1.024 170 G HN 0.532 8.538 8.290 -0.473 0.000 0.750 171 K N 4.452 124.440 120.400 -0.687 0.000 2.665 171 K HA 0.301 4.289 4.320 -0.553 0.000 0.194 171 K C -2.426 173.809 176.600 -0.609 0.000 1.135 171 K CA -1.450 54.511 56.287 -0.543 0.000 1.089 171 K CB 0.849 33.315 32.500 -0.057 0.000 0.817 171 K HN -0.194 7.719 8.250 -0.562 0.000 0.506 172 N N -3.294 114.822 118.700 -0.973 0.000 2.636 172 N HA 0.277 5.080 4.740 -0.094 -0.119 0.261 172 N C -1.781 173.495 175.510 -0.390 0.000 1.195 172 N CA -0.575 52.248 53.050 -0.378 0.000 0.902 172 N CB 2.259 40.739 38.487 -0.010 0.000 1.627 172 N HN -0.502 7.104 8.380 -1.290 0.000 0.491 173 W N -0.377 120.998 121.300 0.125 0.000 2.388 173 W HA 0.457 5.475 4.660 0.215 -0.229 0.308 173 W C -0.487 176.165 176.519 0.221 0.000 1.263 173 W CA -0.344 57.115 57.345 0.190 0.000 1.286 173 W CB -0.237 29.350 29.460 0.211 0.000 1.294 173 W HN 0.507 9.071 8.180 0.639 0.000 0.493 174 V N 0.224 120.427 119.914 0.482 0.000 3.001 174 V HA 0.247 4.769 4.120 0.671 0.000 0.314 174 V C -1.129 175.243 176.094 0.463 0.000 1.099 174 V CA -2.086 60.515 62.300 0.502 0.000 0.989 174 V CB 3.598 35.557 31.823 0.226 0.000 1.040 174 V HN 0.245 8.647 8.190 0.354 0.000 0.434 175 Y N 4.233 124.601 120.300 0.113 0.000 2.561 175 Y HA 0.077 4.494 4.550 -0.222 0.000 0.422 175 Y C 0.593 176.476 175.900 -0.027 0.000 1.402 175 Y CA 0.499 58.515 58.100 -0.139 0.000 1.876 175 Y CB 1.530 39.822 38.460 -0.279 0.000 1.768 175 Y HN -0.394 8.157 8.280 0.453 0.000 0.631 176 S N -3.012 112.524 115.700 -0.274 0.000 2.560 176 S HA 0.017 4.435 4.470 -0.087 0.000 0.281 176 S C -0.280 174.241 174.600 -0.133 0.000 1.075 176 S CA 0.369 58.444 58.200 -0.209 0.000 1.295 176 S CB 0.147 63.163 63.200 -0.307 0.000 1.156 176 S HN 0.192 8.087 8.310 -0.691 0.000 0.627 177 H N 0.598 119.601 119.070 -0.111 0.000 2.512 177 H HA -0.043 4.497 4.556 -0.027 0.000 0.279 177 H C -0.554 174.836 175.328 0.103 0.000 0.999 177 H CA 1.914 57.984 56.048 0.038 0.000 1.283 177 H CB 0.160 30.015 29.762 0.156 0.000 1.421 177 H HN -0.340 7.897 8.280 -0.071 0.000 0.554 178 D N -3.026 117.553 120.400 0.299 0.000 3.208 178 D HA 0.006 4.746 4.640 0.167 0.000 0.281 178 D C 0.567 176.949 176.300 0.137 0.000 1.328 178 D CA 0.480 54.595 54.000 0.191 0.000 1.102 178 D CB 1.384 42.282 40.800 0.163 0.000 1.267 178 D HN -0.193 8.367 8.370 0.364 0.029 0.405 179 G N -1.174 107.720 108.800 0.157 0.000 2.198 179 G HA2 -0.227 3.798 3.960 0.108 0.000 0.156 179 G HA3 -0.227 3.785 3.960 0.087 0.000 0.156 179 G C -1.561 173.420 174.900 0.136 0.000 1.012 179 G CA -0.091 45.080 45.100 0.119 0.000 0.692 179 G HN -0.248 8.171 8.290 0.215 0.000 0.492 180 V N 0.475 120.494 119.914 0.175 0.000 2.532 180 V HA 0.184 4.389 4.120 0.142 0.000 0.295 180 V C -0.571 175.700 176.094 0.296 0.000 1.041 180 V CA -1.411 60.998 62.300 0.182 0.000 0.926 180 V CB 1.652 33.563 31.823 0.147 0.000 0.992 180 V HN -0.514 7.789 8.190 0.189 0.000 0.457 181 S N 4.068 119.911 115.700 0.238 0.000 2.634 181 S HA 0.221 5.033 4.470 0.406 -0.099 0.261 181 S C 0.643 175.261 174.600 0.030 0.000 1.271 181 S CA -0.675 57.667 58.200 0.238 0.000 0.985 181 S CB 1.117 64.429 63.200 0.188 0.000 0.968 181 S HN 0.029 8.440 8.310 0.168 0.000 0.568 182 L N 1.318 122.236 121.223 -0.509 0.000 2.005 182 L HA -0.149 3.690 4.340 -0.836 0.000 0.207 182 L C 1.192 177.809 176.870 -0.422 0.000 1.072 182 L CA 2.835 57.157 54.840 -0.863 0.000 0.744 182 L CB 0.200 41.524 42.059 -1.224 0.000 0.895 182 L HN -0.038 7.911 8.230 -0.467 0.000 0.433 183 H N -1.392 117.615 119.070 -0.105 0.000 2.387 183 H HA -0.325 4.173 4.556 -0.097 0.000 0.299 183 H C 2.455 177.739 175.328 -0.073 0.000 1.099 183 H CA 4.256 60.255 56.048 -0.082 0.000 1.315 183 H CB -1.002 28.726 29.762 -0.057 0.000 1.380 183 H HN 0.205 7.883 8.280 -1.003 0.000 0.513 184 E N -0.907 119.341 120.200 0.081 0.000 2.106 184 E HA -0.298 4.075 4.350 0.039 0.000 0.192 184 E C 1.815 178.437 176.600 0.037 0.000 0.984 184 E CA 2.107 58.540 56.400 0.055 0.000 0.806 184 E CB -0.365 29.381 29.700 0.077 0.000 0.750 184 E HN -0.238 8.172 8.360 0.100 0.011 0.458 185 L N 0.971 122.212 121.223 0.030 0.000 1.961 185 L HA -0.343 4.038 4.340 0.068 0.000 0.210 185 L C 1.697 178.570 176.870 0.004 0.000 1.072 185 L CA 3.417 58.283 54.840 0.043 0.000 0.749 185 L CB -0.084 42.021 42.059 0.077 0.000 0.889 185 L HN -0.350 7.794 8.230 0.011 0.093 0.432 186 L N -3.053 118.131 121.223 -0.064 0.000 2.081 186 L HA -0.444 3.746 4.340 -0.249 0.000 0.212 186 L C 2.125 178.994 176.870 -0.001 0.000 1.080 186 L CA 2.724 57.500 54.840 -0.107 0.000 0.754 186 L CB -1.768 40.257 42.059 -0.056 0.000 0.893 186 L HN -0.195 7.986 8.230 -0.082 0.000 0.433 187 A N -0.265 122.553 122.820 -0.004 0.000 1.824 187 A HA -0.407 3.918 4.320 0.007 0.000 0.215 187 A C 1.597 179.207 177.584 0.043 0.000 1.209 187 A CA 3.064 55.103 52.037 0.004 0.000 0.614 187 A CB -0.830 18.151 19.000 -0.032 0.000 0.852 187 A HN -0.305 7.819 8.150 -0.017 0.016 0.447 188 A N -3.396 119.448 122.820 0.040 0.000 2.131 188 A HA -0.417 3.932 4.320 0.048 0.000 0.220 188 A C 2.184 179.818 177.584 0.083 0.000 1.158 188 A CA 2.454 54.523 52.037 0.055 0.000 0.665 188 A CB -0.891 18.138 19.000 0.049 0.000 0.795 188 A HN -0.321 7.847 8.150 0.031 0.000 0.460 189 E N -0.479 119.779 120.200 0.098 0.000 2.001 189 E HA -0.275 4.164 4.350 0.149 0.000 0.193 189 E C 2.508 179.219 176.600 0.185 0.000 0.994 189 E CA 2.529 59.021 56.400 0.152 0.000 0.815 189 E CB -0.263 29.543 29.700 0.177 0.000 0.770 189 E HN -0.266 7.995 8.360 0.074 0.144 0.453 190 L N -2.944 118.401 121.223 0.204 0.000 2.275 190 L HA -0.228 4.272 4.340 0.267 0.000 0.215 190 L C 2.793 179.774 176.870 0.185 0.000 1.119 190 L CA 2.499 57.483 54.840 0.240 0.000 0.790 190 L CB -0.585 41.651 42.059 0.294 0.000 0.919 190 L HN -0.353 7.982 8.230 0.174 0.000 0.443 191 T N 0.921 115.556 114.554 0.135 0.000 2.857 191 T HA -0.223 4.315 4.350 0.089 -0.135 0.266 191 T C 0.872 175.620 174.700 0.081 0.000 1.048 191 T CA 3.899 66.053 62.100 0.091 0.000 1.139 191 T CB -0.255 68.648 68.868 0.059 0.000 0.874 191 T HN -0.088 8.103 8.240 0.127 0.125 0.455 192 K N -1.520 118.934 120.400 0.090 0.000 2.358 192 K HA 0.009 4.366 4.320 0.062 0.000 0.197 192 K C 0.125 176.780 176.600 0.091 0.000 1.025 192 K CA -0.327 56.007 56.287 0.078 0.000 1.104 192 K CB 0.064 32.606 32.500 0.071 0.000 0.855 192 K HN -0.205 7.915 8.250 0.103 0.192 0.531 193 A N -2.787 120.105 122.820 0.120 0.000 2.070 193 A HA 0.222 4.612 4.320 0.116 0.000 0.202 193 A C 0.710 178.364 177.584 0.118 0.000 1.277 193 A CA 1.316 53.435 52.037 0.137 0.000 0.872 193 A CB 0.860 19.976 19.000 0.194 0.000 0.933 193 A HN -0.300 7.755 8.150 0.134 0.176 0.475 194 L N -2.702 118.586 121.223 0.108 0.000 2.607 194 L HA 0.019 4.336 4.340 -0.038 0.000 0.228 194 L C -0.857 176.043 176.870 0.050 0.000 1.123 194 L CA -0.267 54.599 54.840 0.045 0.000 0.890 194 L CB 0.413 42.527 42.059 0.091 0.000 1.103 194 L HN -0.495 7.701 8.230 0.135 0.115 0.468 195 K N -6.485 113.949 120.400 0.056 0.000 3.088 195 K HA -0.310 4.033 4.320 0.038 0.000 0.273 195 K C -0.536 176.085 176.600 0.036 0.000 1.111 195 K CA 0.863 57.172 56.287 0.038 0.000 0.803 195 K CB -3.169 29.343 32.500 0.020 0.000 1.226 195 K HN -0.005 8.213 8.250 0.069 0.073 0.485 196 T N -0.997 113.590 114.554 0.055 0.000 2.804 196 T HA 0.180 4.527 4.350 -0.005 0.000 0.272 196 T C -1.709 172.992 174.700 0.000 0.000 0.986 196 T CA -1.773 60.338 62.100 0.017 0.000 0.999 196 T CB 2.124 71.002 68.868 0.017 0.000 1.307 196 T HN -0.785 7.468 8.240 0.082 0.036 0.586 197 K N 2.020 122.392 120.400 -0.046 0.000 2.604 197 K HA 0.128 4.442 4.320 -0.009 0.000 0.247 197 K C -1.022 175.545 176.600 -0.055 0.000 0.956 197 K CA -0.571 55.694 56.287 -0.036 0.000 0.896 197 K CB 0.089 32.565 32.500 -0.039 0.000 1.131 197 K HN 0.055 8.248 8.250 -0.094 0.000 0.440 198 L N 5.537 126.750 121.223 -0.016 0.000 2.751 198 L HA 0.137 4.470 4.340 -0.011 0.000 0.241 198 L C -0.882 175.960 176.870 -0.047 0.000 1.146 198 L CA -0.680 54.161 54.840 0.001 0.000 0.879 198 L CB 1.200 43.317 42.059 0.097 0.000 1.687 198 L HN -0.091 8.143 8.230 0.007 0.000 0.527 199 D N -1.024 119.309 120.400 -0.112 0.000 2.684 199 D HA 0.041 4.603 4.640 -0.130 0.000 0.233 199 D C -0.577 175.523 176.300 -0.334 0.000 1.374 199 D CA 0.619 54.518 54.000 -0.169 0.000 0.906 199 D CB 0.518 41.245 40.800 -0.122 0.000 1.526 199 D HN -0.063 8.230 8.370 -0.127 0.000 0.518 200 L N 2.554 123.562 121.223 -0.359 0.000 2.672 200 L HA 0.180 4.061 4.340 -0.765 0.000 0.236 200 L C 0.726 177.424 176.870 -0.287 0.000 1.186 200 L CA 0.488 55.046 54.840 -0.469 0.000 0.977 200 L CB -0.238 41.607 42.059 -0.358 0.000 1.203 200 L HN 0.349 8.435 8.230 -0.241 0.000 0.448 201 S N -0.520 115.045 115.700 -0.226 0.000 2.558 201 S HA -0.056 4.305 4.470 -0.181 0.000 0.217 201 S C 0.459 174.948 174.600 -0.186 0.000 0.975 201 S CA 1.086 59.180 58.200 -0.177 0.000 0.912 201 S CB -0.300 62.828 63.200 -0.121 0.000 0.776 201 S HN 0.001 8.057 8.310 -0.221 0.121 0.526 202 S N 0.342 115.915 115.700 -0.212 0.000 2.548 202 S HA 0.017 4.400 4.470 -0.145 0.000 0.215 202 S C 0.502 174.991 174.600 -0.184 0.000 0.976 202 S CA 0.327 58.422 58.200 -0.176 0.000 0.908 202 S CB 0.393 63.500 63.200 -0.154 0.000 0.781 202 S HN -0.764 7.327 8.310 -0.259 0.063 0.519 203 L N 0.528 121.612 121.223 -0.231 0.000 2.416 203 L HA -0.080 4.170 4.340 -0.151 0.000 0.212 203 L C 0.027 176.782 176.870 -0.193 0.000 1.200 203 L CA -0.382 54.342 54.840 -0.194 0.000 0.841 203 L CB 0.083 42.028 42.059 -0.190 0.000 1.299 203 L HN -1.027 6.983 8.230 -0.273 0.055 0.538 204 A N -3.110 119.626 122.820 -0.141 0.000 2.301 204 A HA 0.146 4.270 4.320 -0.328 0.000 0.298 204 A C -0.454 177.083 177.584 -0.079 0.000 1.185 204 A CA -1.048 50.859 52.037 -0.217 0.000 0.830 204 A CB 0.988 19.891 19.000 -0.162 0.000 1.112 204 A HN -0.312 7.798 8.150 -0.067 0.000 0.508 205 Y N -1.114 119.195 120.300 0.015 0.000 3.825 205 Y HA -0.499 4.084 4.550 0.055 0.000 0.221 205 Y C -0.487 175.337 175.900 -0.126 0.000 1.195 205 Y CA 1.372 59.514 58.100 0.070 0.000 1.699 205 Y CB -3.201 35.462 38.460 0.339 0.000 1.531 205 Y HN 0.249 8.220 8.280 -0.515 0.000 0.640 206 S N -0.721 114.806 115.700 -0.289 0.000 2.324 206 S HA -0.033 3.662 4.470 -1.291 0.000 0.210 206 S C 1.073 175.547 174.600 -0.209 0.000 1.027 206 S CA 1.583 59.404 58.200 -0.631 0.000 0.945 206 S CB 0.622 63.445 63.200 -0.628 0.000 0.908 206 S HN -0.419 7.720 8.310 -0.242 0.027 0.496 207 G N -0.404 108.305 108.800 -0.152 0.000 3.782 207 G HA2 0.015 3.940 3.960 -0.057 0.000 0.288 207 G HA3 0.015 3.924 3.960 -0.084 0.000 0.288 207 G C -1.211 173.654 174.900 -0.059 0.000 1.300 207 G CA -0.716 44.335 45.100 -0.082 0.000 1.261 207 G HN -0.447 7.826 8.290 -0.181 -0.091 0.591 208 K N -3.323 117.052 120.400 -0.043 0.000 3.069 208 K HA -0.449 3.879 4.320 0.013 0.000 0.267 208 K C -2.077 174.514 176.600 -0.014 0.000 1.082 208 K CA 1.231 57.508 56.287 -0.016 0.000 0.782 208 K CB -1.649 30.834 32.500 -0.029 0.000 1.230 208 K HN 0.303 8.437 8.250 -0.043 0.089 0.488 209 D N -4.598 115.776 120.400 -0.044 0.000 2.934 209 D HA 0.130 4.745 4.640 -0.041 0.000 0.230 209 D C -1.667 174.553 176.300 -0.134 0.000 1.204 209 D CA -0.841 53.119 54.000 -0.067 0.000 0.873 209 D CB 2.097 42.856 40.800 -0.070 0.000 1.645 209 D HN -0.539 7.770 8.370 -0.062 0.024 0.502 210 A N 0.000 122.733 122.820 -0.145 0.000 2.254 210 A HA 0.000 4.131 4.320 -0.314 0.000 0.244 210 A CA 0.000 51.896 52.037 -0.236 0.000 0.836 210 A CB 0.000 18.816 19.000 -0.307 0.000 0.831 210 A HN 0.000 8.096 8.150 -0.091 0.000 0.486