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 2k7c_1_A DATA FIRST_RESID 96 DATA SEQUENCE ADMIGVKELR DAFREFDTNG DGEISTSELR EAMRKLLGHQ VGHRDIEEII DATA SEQUENCE RDVDLNGDGR VDFEEFVRMM SR 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 96 A HA 0.000 4.315 4.320 -0.008 0.000 0.000 96 A C 0.000 177.579 177.584 -0.008 0.000 0.000 96 A CA 0.000 52.032 52.037 -0.008 0.000 0.000 96 A CB 0.000 18.997 19.000 -0.005 0.000 0.000 97 D N 2.696 123.093 120.400 -0.005 0.000 2.411 97 D HA 0.119 4.755 4.640 -0.006 0.000 0.225 97 D C -0.862 175.437 176.300 -0.002 0.000 1.156 97 D CA 0.027 54.025 54.000 -0.004 0.000 0.874 97 D CB -0.288 40.512 40.800 -0.000 0.000 1.034 97 D HN -0.090 8.277 8.370 -0.004 0.000 0.502 98 M N 2.801 122.398 119.600 -0.005 0.000 2.277 98 M HA 0.069 4.548 4.480 -0.001 0.000 0.350 98 M C 0.039 176.339 176.300 0.001 0.000 1.180 98 M CA -0.487 54.811 55.300 -0.003 0.000 1.103 98 M CB 1.846 34.441 32.600 -0.008 0.000 1.577 98 M HN -0.186 8.098 8.290 -0.009 0.000 0.459 99 I N 2.333 122.907 120.570 0.005 0.000 2.680 99 I HA -0.280 3.899 4.170 0.014 0.000 0.286 99 I C -0.083 176.042 176.117 0.013 0.000 1.144 99 I CA 1.086 62.393 61.300 0.012 0.000 1.370 99 I CB -1.194 36.815 38.000 0.014 0.000 1.420 99 I HN 0.276 8.489 8.210 0.005 0.000 0.540 100 G N 5.612 114.421 108.800 0.015 0.000 4.371 100 G HA2 -0.096 3.879 3.960 0.026 0.000 0.160 100 G HA3 -0.096 3.864 3.960 0.000 0.000 0.160 100 G C 0.159 175.067 174.900 0.013 0.000 1.271 100 G CA 1.064 46.172 45.100 0.013 0.000 0.982 100 G HN -0.236 8.064 8.290 0.017 0.000 0.318 101 V N 1.891 121.802 119.914 -0.006 0.000 2.250 101 V HA -0.603 3.489 4.120 -0.047 0.000 0.250 101 V C 0.998 177.129 176.094 0.062 0.000 1.060 101 V CA 3.638 65.937 62.300 -0.002 0.000 1.030 101 V CB -0.958 30.859 31.823 -0.010 0.000 0.643 101 V HN -0.355 7.827 8.190 -0.014 0.000 0.445 102 K N -0.619 119.814 120.400 0.054 0.000 2.127 102 K HA -0.477 3.885 4.320 0.071 0.000 0.208 102 K C 2.043 178.696 176.600 0.087 0.000 1.047 102 K CA 3.407 59.733 56.287 0.065 0.000 0.927 102 K CB -0.500 32.026 32.500 0.043 0.000 0.716 102 K HN 0.325 8.599 8.250 0.035 -0.004 0.450 103 E N -2.186 118.066 120.200 0.086 0.000 2.204 103 E HA -0.261 4.153 4.350 0.107 0.000 0.194 103 E C 2.595 179.304 176.600 0.181 0.000 0.989 103 E CA 2.417 58.886 56.400 0.115 0.000 0.824 103 E CB -0.239 29.521 29.700 0.100 0.000 0.756 103 E HN -0.205 8.075 8.360 0.066 0.120 0.477 104 L N -0.432 120.896 121.223 0.177 0.000 2.072 104 L HA -0.252 4.307 4.340 0.366 0.000 0.205 104 L C 1.715 178.876 176.870 0.484 0.000 1.079 104 L CA 3.138 58.144 54.840 0.277 0.000 0.752 104 L CB -0.151 41.886 42.059 -0.037 0.000 0.906 104 L HN 0.020 8.167 8.230 0.117 0.153 0.436 105 R N -0.507 120.199 120.500 0.343 0.000 2.083 105 R HA -0.455 3.514 4.340 -0.618 0.000 0.237 105 R C 1.853 178.159 176.300 0.009 0.000 1.137 105 R CA 3.145 59.241 56.100 -0.008 0.000 0.951 105 R CB -0.647 29.657 30.300 0.007 0.000 0.851 105 R HN 0.139 8.578 8.270 0.282 0.000 0.434 106 D N -2.329 118.131 120.400 0.100 0.000 2.219 106 D HA -0.167 4.501 4.640 0.047 0.000 0.205 106 D C 1.766 178.170 176.300 0.172 0.000 0.970 106 D CA 3.102 57.159 54.000 0.095 0.000 0.851 106 D CB -0.107 40.742 40.800 0.082 0.000 0.943 106 D HN -0.497 7.944 8.370 0.119 0.000 0.488 107 A N 0.354 123.354 122.820 0.301 0.000 1.873 107 A HA -0.264 4.278 4.320 0.370 0.000 0.215 107 A C 1.498 179.387 177.584 0.509 0.000 1.186 107 A CA 2.703 55.010 52.037 0.450 0.000 0.616 107 A CB -0.515 18.842 19.000 0.595 0.000 0.823 107 A HN -0.634 7.558 8.150 0.310 0.144 0.442 108 F N 0.386 120.541 119.950 0.341 0.000 2.046 108 F HA -0.455 4.280 4.527 0.346 0.000 0.297 108 F C 1.339 177.203 175.800 0.106 0.000 1.123 108 F CA 3.921 62.069 58.000 0.247 0.000 1.199 108 F CB 0.255 39.273 39.000 0.030 0.000 0.972 108 F HN 0.120 8.810 8.300 0.651 0.000 0.474 109 R N -2.079 118.517 120.500 0.159 0.000 2.159 109 R HA -0.362 3.992 4.340 0.023 0.000 0.237 109 R C 1.372 177.656 176.300 -0.027 0.000 1.131 109 R CA 2.424 58.544 56.100 0.034 0.000 0.982 109 R CB -0.884 29.425 30.300 0.017 0.000 0.868 109 R HN -0.498 7.875 8.270 0.172 0.000 0.453 110 E N -2.002 118.192 120.200 -0.011 0.000 2.122 110 E HA -0.188 4.079 4.350 -0.139 0.000 0.190 110 E C 1.137 177.571 176.600 -0.277 0.000 0.977 110 E CA 1.946 58.261 56.400 -0.143 0.000 0.820 110 E CB 0.407 30.011 29.700 -0.161 0.000 0.770 110 E HN -0.658 7.610 8.360 0.077 0.138 0.462 111 F N -3.432 116.447 119.950 -0.118 0.000 2.530 111 F HA -0.044 4.408 4.527 -0.124 0.000 0.292 111 F C -0.040 175.599 175.800 -0.269 0.000 1.109 111 F CA 1.772 59.667 58.000 -0.175 0.000 1.450 111 F CB 1.257 40.141 39.000 -0.193 0.000 1.114 111 F HN -0.126 8.163 8.300 0.135 0.092 0.560 112 D N 0.035 120.300 120.400 -0.225 0.000 2.426 112 D HA -0.205 4.180 4.640 -0.426 0.000 0.271 112 D C 1.163 177.374 176.300 -0.147 0.000 1.376 112 D CA 0.456 54.263 54.000 -0.322 0.000 1.149 112 D CB -1.153 39.445 40.800 -0.337 0.000 1.118 112 D HN 0.225 8.340 8.370 -0.215 0.126 0.529 113 T N 3.386 117.876 114.554 -0.105 0.000 2.411 113 T HA -0.285 4.024 4.350 -0.068 0.000 0.240 113 T C 0.793 175.462 174.700 -0.051 0.000 1.311 113 T CA 2.284 64.345 62.100 -0.065 0.000 1.306 113 T CB 0.182 69.025 68.868 -0.042 0.000 0.872 113 T HN 0.108 8.276 8.240 -0.108 0.007 0.390 114 N N -0.548 118.130 118.700 -0.036 0.000 2.453 114 N HA 0.099 4.828 4.740 -0.018 0.000 0.267 114 N C -0.782 174.724 175.510 -0.006 0.000 1.482 114 N CA 0.648 53.687 53.050 -0.019 0.000 0.841 114 N CB 0.479 38.957 38.487 -0.015 0.000 1.408 114 N HN -0.223 8.136 8.380 -0.035 0.000 0.490 115 G N 0.657 109.453 108.800 -0.008 0.000 3.678 115 G HA2 0.256 4.224 3.960 0.013 0.000 0.287 115 G HA3 0.256 4.222 3.960 0.010 0.000 0.287 115 G C -1.120 173.802 174.900 0.037 0.000 1.280 115 G CA -0.706 44.401 45.100 0.012 0.000 1.118 115 G HN -0.261 8.014 8.290 -0.026 0.000 0.563 116 D N -2.736 117.686 120.400 0.038 0.000 3.041 116 D HA -0.314 4.359 4.640 0.054 0.000 0.220 116 D C -0.033 176.336 176.300 0.115 0.000 1.157 116 D CA 0.498 54.537 54.000 0.064 0.000 0.876 116 D CB -1.450 39.388 40.800 0.063 0.000 1.107 116 D HN -0.134 8.152 8.370 0.023 0.097 0.422 117 G N -1.922 106.941 108.800 0.105 0.000 2.756 117 G HA2 -0.488 3.808 3.960 0.081 0.000 0.272 117 G HA3 -0.488 3.705 3.960 0.389 0.000 0.272 117 G C -2.176 172.912 174.900 0.313 0.000 1.128 117 G CA -0.089 45.152 45.100 0.235 0.000 1.145 117 G HN -0.244 8.126 8.290 0.042 -0.054 0.545 118 E N 0.941 121.149 120.200 0.013 0.000 2.352 118 E HA 0.446 5.029 4.350 0.389 0.000 0.280 118 E C -2.120 174.411 176.600 -0.115 0.000 0.930 118 E CA -1.225 55.229 56.400 0.091 0.000 0.765 118 E CB 3.355 33.118 29.700 0.106 0.000 1.219 118 E HN -0.758 7.535 8.360 -0.111 0.000 0.434 119 I N -1.254 119.279 120.570 -0.062 0.000 2.892 119 I HA 0.512 4.605 4.170 -0.129 0.000 0.306 119 I C -2.547 173.520 176.117 -0.084 0.000 1.078 119 I CA -1.877 59.342 61.300 -0.136 0.000 1.032 119 I CB 3.733 41.576 38.000 -0.262 0.000 1.229 119 I HN 0.672 8.952 8.210 0.117 0.000 0.435 120 S N 0.415 116.050 115.700 -0.108 0.000 2.638 120 S HA 0.475 4.913 4.470 -0.054 0.000 0.298 120 S C 1.996 176.516 174.600 -0.133 0.000 1.111 120 S CA -1.438 56.711 58.200 -0.084 0.000 1.027 120 S CB 3.091 66.258 63.200 -0.055 0.000 1.064 120 S HN 0.058 8.297 8.310 -0.118 0.000 0.525 121 T N 2.882 117.377 114.554 -0.098 0.000 2.721 121 T HA -0.494 3.771 4.350 -0.142 0.000 0.268 121 T C 1.926 176.547 174.700 -0.132 0.000 1.038 121 T CA 4.694 66.727 62.100 -0.112 0.000 1.145 121 T CB -0.636 68.195 68.868 -0.063 0.000 0.858 121 T HN 0.777 8.978 8.240 -0.065 0.000 0.459 122 S N 2.764 118.404 115.700 -0.101 0.000 2.356 122 S HA -0.345 4.082 4.470 -0.072 0.000 0.223 122 S C 2.136 176.654 174.600 -0.137 0.000 1.032 122 S CA 3.312 61.461 58.200 -0.086 0.000 1.005 122 S CB -0.643 62.530 63.200 -0.046 0.000 0.867 122 S HN -0.049 8.197 8.310 -0.080 0.016 0.449 123 E N 2.715 122.809 120.200 -0.176 0.000 2.077 123 E HA -0.256 4.033 4.350 -0.100 0.000 0.193 123 E C 2.489 178.621 176.600 -0.779 0.000 0.989 123 E CA 3.218 59.432 56.400 -0.309 0.000 0.800 123 E CB -0.371 29.209 29.700 -0.199 0.000 0.746 123 E HN -0.697 7.503 8.360 -0.140 0.075 0.452 124 L N 0.051 120.896 121.223 -0.631 0.000 2.056 124 L HA -0.292 3.451 4.340 -0.995 0.000 0.207 124 L C 1.312 177.934 176.870 -0.415 0.000 1.078 124 L CA 3.364 57.788 54.840 -0.694 0.000 0.749 124 L CB -0.030 41.676 42.059 -0.589 0.000 0.901 124 L HN 0.397 8.361 8.230 -0.443 0.000 0.433 125 R N -0.494 119.851 120.500 -0.259 0.000 2.096 125 R HA -0.508 3.775 4.340 -0.095 0.000 0.240 125 R C 2.226 178.468 176.300 -0.098 0.000 1.139 125 R CA 4.063 60.085 56.100 -0.129 0.000 0.952 125 R CB -0.181 30.069 30.300 -0.082 0.000 0.854 125 R HN 0.713 8.634 8.270 -0.250 0.199 0.436 126 E N -1.963 118.168 120.200 -0.115 0.000 2.152 126 E HA -0.238 4.131 4.350 0.032 0.000 0.192 126 E C 2.151 178.777 176.600 0.043 0.000 0.983 126 E CA 2.512 58.915 56.400 0.004 0.000 0.818 126 E CB -0.162 29.595 29.700 0.094 0.000 0.758 126 E HN -0.248 8.013 8.360 -0.168 -0.001 0.467 127 A N 0.553 123.249 122.820 -0.207 0.000 1.898 127 A HA -0.310 4.242 4.320 0.388 0.000 0.216 127 A C 1.683 179.302 177.584 0.057 0.000 1.181 127 A CA 3.179 55.166 52.037 -0.082 0.000 0.620 127 A CB -0.592 17.972 19.000 -0.726 0.000 0.819 127 A HN 0.140 7.869 8.150 -0.486 0.130 0.442 128 M N -0.962 118.632 119.600 -0.010 0.000 2.117 128 M HA -0.383 4.174 4.480 0.128 0.000 0.262 128 M C 1.770 178.127 176.300 0.095 0.000 1.065 128 M CA 3.512 58.857 55.300 0.074 0.000 1.114 128 M CB -0.026 32.603 32.600 0.048 0.000 1.361 128 M HN 0.656 8.758 8.290 -0.119 0.118 0.408 129 R N -4.246 116.302 120.500 0.080 0.000 2.148 129 R HA -0.318 4.095 4.340 0.122 0.000 0.227 129 R C 2.238 178.607 176.300 0.115 0.000 1.103 129 R CA 3.064 59.226 56.100 0.104 0.000 0.983 129 R CB -0.162 30.189 30.300 0.085 0.000 0.874 129 R HN -0.600 7.695 8.270 0.048 0.004 0.451 130 K N -2.297 118.180 120.400 0.128 0.000 2.121 130 K HA -0.006 4.374 4.320 0.101 0.000 0.203 130 K C 0.647 177.325 176.600 0.130 0.000 1.041 130 K CA 1.455 57.821 56.287 0.131 0.000 0.969 130 K CB 0.735 33.343 32.500 0.180 0.000 0.799 130 K HN -0.908 7.265 8.250 0.132 0.157 0.456 131 L N -2.085 119.235 121.223 0.163 0.000 2.371 131 L HA 0.130 4.551 4.340 0.136 0.000 0.272 131 L C 1.251 178.199 176.870 0.130 0.000 1.124 131 L CA 0.759 55.693 54.840 0.157 0.000 0.816 131 L CB 0.809 42.998 42.059 0.217 0.000 1.129 131 L HN 0.212 8.419 8.230 0.184 0.134 0.448 132 L N 0.267 121.554 121.223 0.107 0.000 2.848 132 L HA -0.466 3.921 4.340 0.077 0.000 0.400 132 L C 0.408 177.334 176.870 0.092 0.000 2.308 132 L CA 1.099 55.994 54.840 0.092 0.000 2.916 132 L CB -0.771 41.347 42.059 0.097 0.000 1.824 132 L HN 0.452 8.742 8.230 0.101 0.000 0.807 133 G N -2.154 106.714 108.800 0.115 0.000 2.553 133 G HA2 -0.335 3.716 3.960 0.152 0.000 0.242 133 G HA3 -0.335 3.666 3.960 0.069 0.000 0.242 133 G C -0.435 174.619 174.900 0.257 0.000 1.277 133 G CA -0.143 45.040 45.100 0.138 0.000 0.910 133 G HN -0.045 8.240 8.290 0.121 0.077 0.576 134 H N 1.257 120.354 119.070 0.045 0.000 2.914 134 H HA -0.044 4.538 4.556 0.044 0.000 0.195 134 H C 1.259 176.600 175.328 0.021 0.000 1.453 134 H CA 0.212 56.283 56.048 0.038 0.000 1.455 134 H CB 0.091 29.878 29.762 0.042 0.000 1.657 134 H HN -0.094 8.260 8.280 0.123 0.000 0.793 135 Q N -2.570 117.336 119.800 0.177 0.000 2.357 135 Q HA -0.331 4.047 4.340 0.064 0.000 0.233 135 Q C -1.313 174.711 176.000 0.041 0.000 0.868 135 Q CA 1.143 56.994 55.803 0.079 0.000 1.272 135 Q CB -0.580 28.198 28.738 0.067 0.000 1.757 135 Q HN 0.455 8.873 8.270 0.247 0.000 0.567 136 V N -3.779 116.152 119.914 0.027 0.000 3.432 136 V HA 0.112 4.226 4.120 -0.009 0.000 0.290 136 V C -1.811 174.245 176.094 -0.065 0.000 1.591 136 V CA -0.519 61.777 62.300 -0.007 0.000 1.069 136 V CB 1.757 33.590 31.823 0.017 0.000 0.892 136 V HN -0.242 7.880 8.190 0.042 0.094 0.436 137 G N 0.218 108.947 108.800 -0.119 0.000 3.405 137 G HA2 -0.255 3.476 3.960 -0.381 0.000 0.676 137 G HA3 -0.255 3.551 3.960 -0.256 0.000 0.676 137 G C 0.615 175.325 174.900 -0.315 0.000 1.039 137 G CA -0.288 44.640 45.100 -0.287 0.000 0.855 137 G HN -0.317 7.925 8.290 -0.081 0.000 0.443 138 H N 2.888 121.863 119.070 -0.159 0.000 2.496 138 H HA -0.519 3.961 4.556 -0.127 0.000 0.296 138 H C 0.681 175.969 175.328 -0.067 0.000 1.107 138 H CA 2.323 58.285 56.048 -0.143 0.000 1.263 138 H CB -0.271 29.375 29.762 -0.194 0.000 1.369 138 H HN 0.257 8.203 8.280 -0.557 0.000 0.541 139 R N -0.889 119.528 120.500 -0.138 0.000 2.075 139 R HA -0.293 4.160 4.340 0.187 0.000 0.232 139 R C 2.260 178.559 176.300 -0.003 0.000 1.126 139 R CA 3.076 59.197 56.100 0.034 0.000 0.963 139 R CB -0.409 29.849 30.300 -0.069 0.000 0.858 139 R HN 0.261 8.053 8.270 -0.701 0.058 0.435 140 D N 0.068 120.440 120.400 -0.048 0.000 2.104 140 D HA -0.221 4.410 4.640 -0.016 0.000 0.194 140 D C 2.079 178.385 176.300 0.010 0.000 0.994 140 D CA 3.211 57.200 54.000 -0.020 0.000 0.830 140 D CB -0.115 40.667 40.800 -0.029 0.000 0.959 140 D HN -0.019 8.180 8.370 -0.109 0.106 0.452 141 I N -0.233 120.350 120.570 0.022 0.000 2.142 141 I HA -0.612 3.585 4.170 0.045 0.000 0.240 141 I C 1.892 178.032 176.117 0.038 0.000 1.078 141 I CA 4.163 65.488 61.300 0.042 0.000 1.343 141 I CB 0.052 38.087 38.000 0.059 0.000 1.046 141 I HN -0.823 7.394 8.210 0.011 0.000 0.405 142 E N -1.411 118.816 120.200 0.044 0.000 2.160 142 E HA -0.450 3.917 4.350 0.028 0.000 0.195 142 E C 2.532 179.147 176.600 0.025 0.000 0.991 142 E CA 3.037 59.459 56.400 0.036 0.000 0.810 142 E CB -0.468 29.261 29.700 0.048 0.000 0.742 142 E HN -0.473 7.922 8.360 0.058 0.000 0.466 143 E N 0.138 120.352 120.200 0.024 0.000 2.031 143 E HA -0.308 4.050 4.350 0.014 0.000 0.193 143 E C 2.382 178.991 176.600 0.016 0.000 0.994 143 E CA 2.909 59.318 56.400 0.015 0.000 0.800 143 E CB -0.092 29.613 29.700 0.009 0.000 0.752 143 E HN -0.402 7.845 8.360 0.026 0.128 0.447 144 I N -1.469 119.114 120.570 0.021 0.000 2.399 144 I HA -0.449 3.736 4.170 0.024 0.000 0.254 144 I C 1.666 177.798 176.117 0.024 0.000 1.146 144 I CA 4.005 65.322 61.300 0.029 0.000 1.412 144 I CB 0.010 38.038 38.000 0.047 0.000 1.076 144 I HN -0.463 7.760 8.210 0.023 0.000 0.432 145 I N -5.159 115.422 120.570 0.017 0.000 3.419 145 I HA -0.200 3.970 4.170 -0.000 0.000 0.286 145 I C 0.243 176.361 176.117 0.003 0.000 1.268 145 I CA 0.121 61.424 61.300 0.004 0.000 1.414 145 I CB -1.201 36.799 38.000 -0.001 0.000 1.074 145 I HN -0.567 7.522 8.210 0.020 0.133 0.457 146 R N -1.053 119.452 120.500 0.007 0.000 2.156 146 R HA -0.115 4.227 4.340 0.003 0.000 0.207 146 R C 0.934 177.237 176.300 0.005 0.000 1.040 146 R CA 0.827 56.930 56.100 0.005 0.000 1.013 146 R CB 0.497 30.801 30.300 0.007 0.000 0.931 146 R HN -0.231 7.825 8.270 0.011 0.220 0.465 147 D N -1.369 119.035 120.400 0.007 0.000 2.154 147 D HA -0.244 4.398 4.640 0.004 0.000 0.190 147 D C 0.612 176.915 176.300 0.004 0.000 1.003 147 D CA 2.676 56.679 54.000 0.005 0.000 0.849 147 D CB 0.378 41.183 40.800 0.008 0.000 0.942 147 D HN -0.099 8.277 8.370 0.009 0.000 0.446 148 V N -5.132 114.784 119.914 0.005 0.000 3.193 148 V HA 0.189 4.311 4.120 0.003 0.000 0.320 148 V C -2.038 174.055 176.094 -0.001 0.000 1.112 148 V CA -2.117 60.185 62.300 0.003 0.000 1.026 148 V CB 2.413 34.238 31.823 0.005 0.000 1.128 148 V HN -0.559 7.635 8.190 0.006 0.000 0.452 149 D N -1.396 119.003 120.400 -0.001 0.000 2.934 149 D HA 0.178 4.815 4.640 -0.005 0.000 0.230 149 D C -0.312 175.985 176.300 -0.004 0.000 1.204 149 D CA -1.089 52.909 54.000 -0.003 0.000 0.873 149 D CB 2.005 42.803 40.800 -0.002 0.000 1.645 149 D HN -0.284 8.086 8.370 -0.000 0.000 0.502 150 L N -0.518 120.701 121.223 -0.007 0.000 2.468 150 L HA 0.164 4.500 4.340 -0.007 0.000 0.253 150 L C -0.762 176.106 176.870 -0.004 0.000 1.237 150 L CA 0.677 55.512 54.840 -0.007 0.000 0.823 150 L CB 0.389 42.442 42.059 -0.010 0.000 1.124 150 L HN 0.183 8.408 8.230 -0.009 0.000 0.504 151 N N -1.275 117.423 118.700 -0.003 0.000 1.862 151 N HA 0.058 4.797 4.740 -0.002 0.000 0.235 151 N C -0.009 175.500 175.510 -0.001 0.000 1.398 151 N CA 0.601 53.650 53.050 -0.002 0.000 0.779 151 N CB 1.476 39.963 38.487 -0.000 0.000 1.086 151 N HN 0.104 8.482 8.380 -0.004 0.000 0.490 152 G N -0.317 108.482 108.800 -0.001 0.000 3.768 152 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.214 152 G HA3 -0.215 3.745 3.960 0.000 0.000 0.214 152 G C -1.471 173.429 174.900 0.000 0.000 1.058 152 G CA 0.293 45.393 45.100 -0.001 0.000 0.890 152 G HN -0.118 8.171 8.290 -0.002 0.000 0.393 153 D N 1.718 122.119 120.400 0.002 0.000 2.788 153 D HA 0.086 4.727 4.640 0.003 0.000 0.289 153 D C -0.292 176.011 176.300 0.005 0.000 1.340 153 D CA -0.588 53.414 54.000 0.004 0.000 0.831 153 D CB 1.034 41.837 40.800 0.006 0.000 1.103 153 D HN -0.104 8.268 8.370 0.002 0.000 0.476 154 G N 0.532 109.333 108.800 0.001 0.000 2.307 154 G HA2 -0.124 3.839 3.960 0.005 0.000 0.271 154 G HA3 -0.124 3.834 3.960 -0.004 0.000 0.271 154 G C -1.087 173.814 174.900 0.003 0.000 1.191 154 G CA 0.375 45.475 45.100 0.001 0.000 1.024 154 G HN -0.116 8.110 8.290 -0.001 0.063 0.441 155 R N 3.474 123.982 120.500 0.014 0.000 2.750 155 R HA 0.340 4.690 4.340 0.017 0.000 0.281 155 R C -1.583 174.744 176.300 0.045 0.000 0.972 155 R CA -0.936 55.180 56.100 0.026 0.000 0.912 155 R CB 3.583 33.904 30.300 0.035 0.000 1.187 155 R HN -0.259 8.021 8.270 0.017 0.000 0.464 156 V N 4.151 124.106 119.914 0.068 0.000 2.668 156 V HA 0.389 4.568 4.120 0.098 0.000 0.304 156 V C -2.666 173.568 176.094 0.234 0.000 1.071 156 V CA -2.765 59.603 62.300 0.112 0.000 0.894 156 V CB 3.605 35.473 31.823 0.074 0.000 1.008 156 V HN 0.580 8.805 8.190 0.060 0.000 0.425 157 D N 6.185 126.728 120.400 0.237 0.000 2.340 157 D HA 0.186 5.188 4.640 0.604 0.000 0.251 157 D C 0.203 176.634 176.300 0.219 0.000 1.080 157 D CA -1.595 52.610 54.000 0.342 0.000 0.971 157 D CB 1.525 42.436 40.800 0.186 0.000 1.137 157 D HN -0.184 8.280 8.370 0.156 0.000 0.475 158 F N 2.181 121.795 119.950 -0.559 0.000 2.085 158 F HA -0.538 3.615 4.527 -0.623 0.000 0.299 158 F C 0.838 176.452 175.800 -0.310 0.000 1.096 158 F CA 5.092 62.480 58.000 -1.020 0.000 1.227 158 F CB 0.496 38.439 39.000 -1.762 0.000 0.983 158 F HN 0.606 8.690 8.300 -0.360 0.000 0.482 159 E N -1.492 118.521 120.200 -0.312 0.000 2.023 159 E HA -0.508 3.559 4.350 -0.470 0.000 0.196 159 E C 2.056 178.517 176.600 -0.232 0.000 1.003 159 E CA 3.657 59.873 56.400 -0.306 0.000 0.809 159 E CB -0.734 28.892 29.700 -0.123 0.000 0.755 159 E HN -0.226 8.054 8.360 -0.148 -0.009 0.449 160 E N -0.477 119.674 120.200 -0.081 0.000 2.097 160 E HA -0.298 4.025 4.350 -0.045 0.000 0.196 160 E C 2.305 178.916 176.600 0.019 0.000 1.000 160 E CA 2.846 59.235 56.400 -0.019 0.000 0.804 160 E CB -0.238 29.487 29.700 0.042 0.000 0.740 160 E HN 0.586 9.642 8.360 -0.038 -0.718 0.454 161 F N 1.120 120.991 119.950 -0.132 0.000 2.051 161 F HA -0.307 4.190 4.527 -0.050 0.000 0.296 161 F C 2.133 177.802 175.800 -0.217 0.000 1.122 161 F CA 2.247 60.183 58.000 -0.106 0.000 1.201 161 F CB -0.175 38.837 39.000 0.019 0.000 0.978 161 F HN 0.350 8.568 8.300 0.156 0.176 0.472 162 V N 0.832 120.293 119.914 -0.755 0.000 2.392 162 V HA -0.721 2.758 4.120 -1.068 0.000 0.249 162 V C 1.681 177.500 176.094 -0.458 0.000 1.059 162 V CA 4.489 66.253 62.300 -0.893 0.000 1.051 162 V CB -0.342 30.818 31.823 -1.106 0.000 0.658 162 V HN 0.865 8.473 8.190 -0.747 0.134 0.455 163 R N 0.176 120.488 120.500 -0.314 0.000 2.081 163 R HA -0.348 3.881 4.340 -0.184 0.000 0.235 163 R C 2.558 178.785 176.300 -0.122 0.000 1.131 163 R CA 3.641 59.632 56.100 -0.181 0.000 0.960 163 R CB -0.193 30.033 30.300 -0.123 0.000 0.856 163 R HN 0.520 8.387 8.270 -0.322 0.210 0.436 164 M N -3.138 116.416 119.600 -0.077 0.000 2.346 164 M HA -0.382 4.086 4.480 -0.020 0.000 0.263 164 M C 1.054 177.324 176.300 -0.049 0.000 1.064 164 M CA 3.468 58.755 55.300 -0.022 0.000 1.083 164 M CB -0.117 32.519 32.600 0.060 0.000 1.399 164 M HN 0.111 8.181 8.290 -0.064 0.182 0.435 165 M N -1.260 118.265 119.600 -0.126 0.000 2.351 165 M HA -0.074 4.360 4.480 -0.076 0.000 0.250 165 M C 1.261 177.487 176.300 -0.123 0.000 1.145 165 M CA 1.614 56.833 55.300 -0.134 0.000 1.192 165 M CB 0.033 32.486 32.600 -0.244 0.000 1.267 165 M HN -0.671 7.388 8.290 -0.190 0.116 0.467 166 S N -1.342 114.258 115.700 -0.167 0.000 2.559 166 S HA -0.275 4.128 4.470 -0.111 0.000 0.250 166 S C 0.562 175.106 174.600 -0.092 0.000 0.977 166 S CA 1.584 59.706 58.200 -0.130 0.000 0.958 166 S CB 0.261 63.366 63.200 -0.158 0.000 0.751 166 S HN 0.256 8.306 8.310 -0.237 0.117 0.534 167 R N 0.000 120.450 120.500 -0.084 0.000 2.786 167 R HA 0.000 4.305 4.340 -0.058 0.000 0.208 167 R CA 0.000 56.065 56.100 -0.058 0.000 0.921 167 R CB 0.000 30.271 30.300 -0.048 0.000 0.687 167 R HN 0.000 8.063 8.270 -0.096 0.149 0.535