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 2ksm_1_A DATA FIRST_RESID 73 DATA SEQUENCE GASALSLSLL SISRSGNTVT LIGDFPDEAA KAALMTALNG LLAPGVNVID DATA SEQUENCE QIHVDPVVRS LDFSSAEPVF TASVPIPDFG LKVERDTVTL TGTAPSSEHK DATA SEQUENCE DAVKRAATST WPDMKIVNNI EVTGQAPPGP P 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 73 G HA2 0.000 nan 3.960 nan 0.000 0.244 73 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 73 G C 0.000 174.897 174.900 -0.005 0.000 0.946 73 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 74 A N -0.963 121.854 122.820 -0.005 0.000 3.132 74 A HA -0.201 4.115 4.320 -0.006 0.000 0.266 74 A C -0.798 176.780 177.584 -0.009 0.000 1.216 74 A CA 0.216 52.249 52.037 -0.006 0.000 0.985 74 A CB -0.632 18.364 19.000 -0.006 0.000 1.102 74 A HN 0.008 8.156 8.150 -0.004 0.000 0.833 75 S N -2.000 113.695 115.700 -0.008 0.000 3.269 75 S HA -0.321 4.144 4.470 -0.009 0.000 0.639 75 S C -0.972 173.621 174.600 -0.013 0.000 2.714 75 S CA 0.941 59.134 58.200 -0.011 0.000 2.894 75 S CB 0.587 63.779 63.200 -0.013 0.000 0.329 75 S HN -0.259 7.957 8.310 -0.007 0.089 1.793 76 A N 0.775 123.586 122.820 -0.015 0.000 2.303 76 A HA 0.119 4.430 4.320 -0.015 0.000 0.317 76 A C -0.538 177.033 177.584 -0.022 0.000 1.149 76 A CA -0.459 51.568 52.037 -0.017 0.000 0.822 76 A CB 0.918 19.908 19.000 -0.018 0.000 1.131 76 A HN 0.248 8.389 8.150 -0.016 0.000 0.493 77 L N 0.106 121.316 121.223 -0.021 0.000 2.888 77 L HA 0.128 4.452 4.340 -0.026 0.000 0.237 77 L C -1.092 175.759 176.870 -0.031 0.000 1.288 77 L CA -0.512 54.313 54.840 -0.025 0.000 1.110 77 L CB -0.147 41.901 42.059 -0.019 0.000 1.441 77 L HN 0.160 8.379 8.230 -0.018 0.000 0.474 78 S N -1.740 113.939 115.700 -0.035 0.000 2.538 78 S HA 0.179 4.775 4.470 -0.045 -0.154 0.288 78 S C -1.023 173.544 174.600 -0.054 0.000 1.108 78 S CA -2.127 56.048 58.200 -0.042 0.000 0.971 78 S CB 2.018 65.198 63.200 -0.033 0.000 1.041 78 S HN -0.668 7.508 8.310 -0.033 0.115 0.483 79 L N 3.084 124.264 121.223 -0.071 0.000 2.322 79 L HA 0.266 4.735 4.340 -0.087 -0.181 0.279 79 L C 0.866 177.692 176.870 -0.074 0.000 1.036 79 L CA -0.931 53.854 54.840 -0.091 0.000 0.807 79 L CB 1.932 43.907 42.059 -0.140 0.000 1.226 79 L HN -0.180 8.007 8.230 -0.072 0.000 0.433 80 S N 3.157 118.821 115.700 -0.060 0.000 2.537 80 S HA -0.140 4.313 4.470 -0.028 0.000 0.286 80 S C -0.109 174.471 174.600 -0.032 0.000 1.299 80 S CA 0.389 58.570 58.200 -0.032 0.000 1.067 80 S CB -0.029 63.169 63.200 -0.004 0.000 0.864 80 S HN 0.805 8.959 8.310 -0.066 0.116 0.494 81 L N -1.617 119.592 121.223 -0.024 0.000 2.485 81 L HA 0.012 4.483 4.340 -0.040 -0.155 0.275 81 L C -0.796 176.079 176.870 0.009 0.000 1.207 81 L CA 0.284 55.112 54.840 -0.020 0.000 0.855 81 L CB -0.039 42.010 42.059 -0.016 0.000 1.114 81 L HN -0.107 8.110 8.230 -0.021 0.000 0.485 82 L N 0.689 121.919 121.223 0.012 0.000 2.371 82 L HA 0.401 4.787 4.340 0.077 0.000 0.262 82 L C -1.336 175.565 176.870 0.051 0.000 1.006 82 L CA -0.741 54.134 54.840 0.058 0.000 0.818 82 L CB 4.929 47.045 42.059 0.095 0.000 1.354 82 L HN -0.309 7.912 8.230 -0.014 0.000 0.415 83 S N 1.458 117.199 115.700 0.070 0.000 2.672 83 S HA 0.474 4.980 4.470 0.060 0.000 0.291 83 S C -1.793 172.858 174.600 0.084 0.000 1.145 83 S CA -0.668 57.570 58.200 0.064 0.000 1.013 83 S CB 1.418 64.644 63.200 0.044 0.000 1.017 83 S HN -0.174 8.187 8.310 0.084 0.000 0.487 84 I N 6.558 127.193 120.570 0.109 0.000 2.478 84 I HA 0.389 4.747 4.170 0.112 -0.121 0.287 84 I C -2.176 174.031 176.117 0.149 0.000 1.042 84 I CA -0.944 60.441 61.300 0.143 0.000 1.067 84 I CB 3.768 41.896 38.000 0.213 0.000 1.233 84 I HN 0.219 8.493 8.210 0.107 0.000 0.431 85 S N 6.640 122.415 115.700 0.126 0.000 2.502 85 S HA 0.485 5.021 4.470 0.109 0.000 0.304 85 S C -1.191 173.485 174.600 0.125 0.000 1.097 85 S CA -1.266 56.999 58.200 0.108 0.000 1.045 85 S CB 2.703 65.943 63.200 0.067 0.000 1.019 85 S HN 1.121 9.385 8.310 0.111 0.112 0.481 86 R N 6.755 127.332 120.500 0.128 0.000 2.473 86 R HA 0.383 4.791 4.340 0.114 0.000 0.303 86 R C -1.134 175.220 176.300 0.089 0.000 1.002 86 R CA -0.504 55.669 56.100 0.122 0.000 0.884 86 R CB 2.591 32.980 30.300 0.149 0.000 1.173 86 R HN 0.000 8.342 8.270 0.119 0.000 0.464 87 S N 2.989 118.729 115.700 0.067 0.000 2.564 87 S HA 0.159 4.783 4.470 0.054 -0.121 0.231 87 S C 0.152 174.780 174.600 0.046 0.000 1.067 87 S CA 0.513 58.744 58.200 0.051 0.000 0.908 87 S CB 2.234 65.457 63.200 0.038 0.000 0.809 87 S HN 0.034 8.384 8.310 0.066 0.000 0.491 88 G N 2.348 111.175 108.800 0.045 0.000 2.169 88 G HA2 -0.241 3.743 3.960 0.039 0.000 0.173 88 G HA3 -0.241 3.739 3.960 0.032 0.000 0.173 88 G C -0.057 174.862 174.900 0.033 0.000 2.429 88 G CA 0.037 45.159 45.100 0.037 0.000 1.467 88 G HN -0.725 7.596 8.290 0.051 0.000 0.454 89 N N 4.160 122.876 118.700 0.026 0.000 2.020 89 N HA -0.261 4.491 4.740 0.019 0.000 0.200 89 N C -0.105 175.419 175.510 0.024 0.000 1.054 89 N CA 2.561 55.624 53.050 0.022 0.000 0.874 89 N CB 0.369 38.867 38.487 0.018 0.000 1.075 89 N HN 0.258 8.654 8.380 0.025 0.000 0.446 90 T N -4.045 110.524 114.554 0.025 0.000 2.940 90 T HA 0.617 5.216 4.350 0.023 -0.235 0.288 90 T C -1.116 173.606 174.700 0.036 0.000 1.033 90 T CA -1.607 60.508 62.100 0.025 0.000 1.033 90 T CB 2.325 71.205 68.868 0.019 0.000 1.079 90 T HN -0.167 8.087 8.240 0.025 0.000 0.496 91 V N 0.959 120.896 119.914 0.037 0.000 2.555 91 V HA 0.372 4.532 4.120 0.065 0.000 0.302 91 V C -0.677 175.440 176.094 0.039 0.000 1.038 91 V CA -2.132 60.200 62.300 0.053 0.000 0.887 91 V CB 1.652 33.514 31.823 0.065 0.000 0.991 91 V HN -0.216 7.991 8.190 0.028 0.000 0.434 92 T N 6.917 121.500 114.554 0.050 0.000 2.892 92 T HA 0.445 4.982 4.350 0.023 -0.174 0.311 92 T C -1.306 173.421 174.700 0.044 0.000 1.033 92 T CA -0.608 61.514 62.100 0.037 0.000 0.991 92 T CB 0.266 69.154 68.868 0.034 0.000 0.981 92 T HN 0.418 8.698 8.240 0.067 0.000 0.457 93 L N 3.667 124.904 121.223 0.024 0.000 2.491 93 L HA 0.913 5.477 4.340 0.047 -0.196 0.267 93 L C -2.231 174.641 176.870 0.002 0.000 0.971 93 L CA -0.617 54.236 54.840 0.023 0.000 0.857 93 L CB 2.048 44.111 42.059 0.008 0.000 1.226 93 L HN -0.205 8.029 8.230 0.007 0.000 0.408 94 I N -0.905 119.682 120.570 0.028 0.000 2.846 94 I HA 0.809 5.140 4.170 0.021 -0.149 0.307 94 I C -0.381 175.776 176.117 0.066 0.000 1.053 94 I CA -2.583 58.738 61.300 0.035 0.000 1.050 94 I CB 3.205 41.226 38.000 0.035 0.000 1.239 94 I HN -0.196 8.038 8.210 0.040 0.000 0.439 95 G N 0.471 109.324 108.800 0.089 0.000 2.373 95 G HA2 -0.021 3.988 3.960 0.081 0.000 0.250 95 G HA3 -0.021 4.038 3.960 0.164 0.000 0.250 95 G C -2.993 172.017 174.900 0.185 0.000 1.304 95 G CA 0.322 45.498 45.100 0.127 0.000 0.948 95 G HN -0.324 8.021 8.290 0.093 0.000 0.474 96 D N -0.032 120.519 120.400 0.252 0.000 2.780 96 D HA 0.452 5.479 4.640 0.316 -0.198 0.242 96 D C -2.135 174.446 176.300 0.468 0.000 1.135 96 D CA -0.643 53.536 54.000 0.299 0.000 0.859 96 D CB 3.554 44.455 40.800 0.168 0.000 1.530 96 D HN 0.044 8.559 8.370 0.243 0.000 0.493 97 F N 0.927 120.949 119.950 0.120 0.000 2.523 97 F HA 0.454 5.147 4.527 0.276 0.000 0.329 97 F C -1.303 174.580 175.800 0.137 0.000 1.061 97 F CA -2.684 55.414 58.000 0.163 0.000 0.967 97 F CB 2.848 41.896 39.000 0.079 0.000 1.218 97 F HN 0.821 9.281 8.300 0.458 0.115 0.480 98 P HA 0.063 4.685 4.420 0.097 -0.144 0.217 98 P C -0.742 176.645 177.300 0.145 0.000 1.154 98 P CA 1.299 64.471 63.100 0.120 0.000 0.841 98 P CB 0.637 32.365 31.700 0.046 0.000 0.790 99 D N -4.889 115.630 120.400 0.199 0.000 2.732 99 D HA 0.121 4.833 4.640 0.121 0.000 0.292 99 D C -0.059 176.354 176.300 0.188 0.000 1.135 99 D CA -2.009 52.086 54.000 0.159 0.000 1.071 99 D CB 1.985 42.859 40.800 0.123 0.000 1.457 99 D HN -0.613 7.914 8.370 0.262 0.000 0.547 100 E N -1.956 118.310 120.200 0.111 0.000 2.201 100 E HA -0.052 4.331 4.350 0.056 0.000 0.193 100 E C 1.005 177.643 176.600 0.063 0.000 0.957 100 E CA 1.585 58.024 56.400 0.065 0.000 0.858 100 E CB 0.137 29.851 29.700 0.022 0.000 0.816 100 E HN 0.377 8.789 8.360 0.087 0.000 0.475 101 A N 1.223 124.087 122.820 0.075 0.000 2.070 101 A HA -0.186 4.159 4.320 0.041 0.000 0.220 101 A C 2.113 179.758 177.584 0.102 0.000 1.159 101 A CA 2.535 54.613 52.037 0.067 0.000 0.656 101 A CB -0.859 18.179 19.000 0.062 0.000 0.800 101 A HN -0.320 8.087 8.150 0.076 -0.211 0.453 102 A N -0.575 122.352 122.820 0.178 0.000 1.972 102 A HA -0.299 4.170 4.320 0.248 0.000 0.219 102 A C 1.382 179.090 177.584 0.206 0.000 1.169 102 A CA 2.565 54.770 52.037 0.279 0.000 0.635 102 A CB -0.910 18.380 19.000 0.484 0.000 0.810 102 A HN 0.343 8.562 8.150 0.187 0.043 0.446 103 K N -2.597 117.847 120.400 0.072 0.000 2.147 103 K HA -0.280 3.895 4.320 -0.243 0.000 0.205 103 K C 1.522 178.080 176.600 -0.069 0.000 1.049 103 K CA 2.831 59.044 56.287 -0.123 0.000 0.936 103 K CB -0.413 31.960 32.500 -0.211 0.000 0.722 103 K HN -0.169 7.992 8.250 0.087 0.142 0.446 104 A N -0.754 122.058 122.820 -0.012 0.000 1.940 104 A HA -0.247 4.058 4.320 -0.024 0.000 0.219 104 A C 1.640 179.230 177.584 0.011 0.000 1.176 104 A CA 2.871 54.905 52.037 -0.005 0.000 0.631 104 A CB -1.050 17.957 19.000 0.013 0.000 0.814 104 A HN -0.244 7.795 8.150 0.011 0.117 0.446 105 A N -1.853 120.995 122.820 0.046 0.000 1.930 105 A HA -0.222 4.130 4.320 0.053 0.000 0.217 105 A C 1.475 179.082 177.584 0.039 0.000 1.175 105 A CA 2.447 54.524 52.037 0.065 0.000 0.627 105 A CB -0.415 18.662 19.000 0.128 0.000 0.815 105 A HN -0.544 7.635 8.150 0.069 0.013 0.443 106 L N -2.261 118.958 121.223 -0.007 0.000 2.049 106 L HA -0.370 3.931 4.340 -0.065 0.000 0.203 106 L C 2.735 179.541 176.870 -0.106 0.000 1.074 106 L CA 2.702 57.485 54.840 -0.095 0.000 0.749 106 L CB 0.167 42.096 42.059 -0.217 0.000 0.907 106 L HN -0.796 7.349 8.230 -0.002 0.085 0.439 107 M N -0.593 118.944 119.600 -0.106 0.000 2.089 107 M HA -0.503 3.919 4.480 -0.096 0.000 0.257 107 M C 1.743 178.025 176.300 -0.030 0.000 1.071 107 M CA 4.553 59.805 55.300 -0.080 0.000 1.096 107 M CB -0.168 32.385 32.600 -0.078 0.000 1.330 107 M HN 0.931 9.033 8.290 -0.117 0.118 0.403 108 T N -2.554 111.993 114.554 -0.013 0.000 2.848 108 T HA -0.397 3.957 4.350 0.007 0.000 0.269 108 T C 0.361 175.078 174.700 0.029 0.000 1.081 108 T CA 3.120 65.226 62.100 0.009 0.000 1.125 108 T CB -0.589 68.289 68.868 0.016 0.000 0.848 108 T HN -0.237 7.993 8.240 -0.017 0.000 0.503 109 A N -0.847 121.994 122.820 0.035 0.000 1.930 109 A HA -0.058 4.557 4.320 0.102 -0.234 0.215 109 A C 2.030 179.688 177.584 0.123 0.000 1.176 109 A CA 1.775 53.870 52.037 0.097 0.000 0.632 109 A CB 0.083 19.157 19.000 0.123 0.000 0.819 109 A HN 0.142 8.077 8.150 0.004 0.218 0.445 110 L N -0.109 121.160 121.223 0.077 0.000 2.083 110 L HA -0.487 3.942 4.340 0.148 0.000 0.209 110 L C 1.647 178.554 176.870 0.061 0.000 1.083 110 L CA 2.830 57.721 54.840 0.084 0.000 0.752 110 L CB -0.413 41.665 42.059 0.032 0.000 0.899 110 L HN 0.132 8.262 8.230 0.023 0.114 0.433 111 N N -2.165 116.558 118.700 0.038 0.000 2.314 111 N HA -0.379 4.373 4.740 0.020 0.000 0.191 111 N C 1.429 176.959 175.510 0.033 0.000 1.007 111 N CA 2.861 55.928 53.050 0.027 0.000 0.883 111 N CB -0.174 38.325 38.487 0.020 0.000 0.969 111 N HN -0.357 8.030 8.380 0.030 0.011 0.441 112 G N -2.684 106.145 108.800 0.048 0.000 2.453 112 G HA2 -0.074 3.903 3.960 0.028 0.000 0.215 112 G HA3 -0.074 3.914 3.960 0.047 0.000 0.215 112 G C 0.381 175.304 174.900 0.038 0.000 1.147 112 G CA 0.648 45.773 45.100 0.041 0.000 0.802 112 G HN -0.313 7.825 8.290 0.065 0.192 0.535 113 L N 0.097 121.354 121.223 0.056 0.000 2.463 113 L HA 0.155 4.515 4.340 0.033 0.000 0.219 113 L C 0.271 177.165 176.870 0.040 0.000 1.088 113 L CA -0.505 54.365 54.840 0.049 0.000 0.849 113 L CB 0.947 43.052 42.059 0.076 0.000 1.012 113 L HN 0.037 8.183 8.230 0.076 0.129 0.468 114 L N -0.072 121.173 121.223 0.037 0.000 2.737 114 L HA -0.303 4.053 4.340 0.026 0.000 0.275 114 L C -1.649 175.232 176.870 0.019 0.000 1.179 114 L CA 1.060 55.916 54.840 0.025 0.000 0.970 114 L CB 0.369 42.439 42.059 0.019 0.000 1.268 114 L HN -0.260 7.885 8.230 0.043 0.111 0.485 115 A N 7.664 130.494 122.820 0.017 0.000 2.350 115 A HA 0.423 4.750 4.320 0.012 0.000 0.318 115 A C -2.068 175.522 177.584 0.010 0.000 1.132 115 A CA -2.653 49.392 52.037 0.013 0.000 0.811 115 A CB 0.907 19.916 19.000 0.015 0.000 1.313 115 A HN -0.109 8.053 8.150 0.019 0.000 0.454 116 P HA -0.093 4.330 4.420 0.005 0.000 0.270 116 P C 0.255 177.558 177.300 0.006 0.000 1.242 116 P CA 0.899 64.003 63.100 0.006 0.000 0.768 116 P CB -0.966 30.737 31.700 0.005 0.000 0.820 117 G N 3.945 112.748 108.800 0.005 0.000 2.175 117 G HA2 -0.388 3.574 3.960 0.003 0.000 0.244 117 G HA3 -0.388 3.575 3.960 0.005 0.000 0.244 117 G C -1.131 173.773 174.900 0.006 0.000 0.982 117 G CA -0.405 44.698 45.100 0.005 0.000 0.641 117 G HN 0.347 8.640 8.290 0.004 0.000 0.527 118 V N 1.471 121.390 119.914 0.008 0.000 2.637 118 V HA -0.228 3.900 4.120 0.012 0.000 0.296 118 V C -0.946 175.153 176.094 0.009 0.000 1.046 118 V CA 0.328 62.635 62.300 0.011 0.000 1.066 118 V CB 0.889 32.721 31.823 0.015 0.000 0.968 118 V HN -0.462 7.668 8.190 0.008 0.065 0.483 119 N N 8.940 127.645 118.700 0.010 0.000 2.443 119 N HA 0.254 4.995 4.740 0.002 0.000 0.295 119 N C -1.804 173.710 175.510 0.007 0.000 1.076 119 N CA -0.644 52.409 53.050 0.006 0.000 0.919 119 N CB 1.722 40.213 38.487 0.006 0.000 1.176 119 N HN -0.295 8.092 8.380 0.012 0.000 0.487 120 V N 0.794 120.708 119.914 -0.000 0.000 2.656 120 V HA 0.170 4.293 4.120 0.005 0.000 0.307 120 V C -1.051 175.036 176.094 -0.012 0.000 1.051 120 V CA -0.488 61.809 62.300 -0.004 0.000 0.893 120 V CB 2.307 34.122 31.823 -0.013 0.000 0.999 120 V HN 0.275 8.462 8.190 -0.004 0.000 0.426 121 I N 7.046 127.610 120.570 -0.010 0.000 2.796 121 I HA 0.211 4.370 4.170 -0.020 0.000 0.279 121 I C -1.852 174.251 176.117 -0.023 0.000 1.289 121 I CA -0.475 60.817 61.300 -0.014 0.000 1.021 121 I CB 0.489 38.488 38.000 -0.002 0.000 1.414 121 I HN 0.113 8.321 8.210 -0.003 0.000 0.562 122 D N 3.145 123.516 120.400 -0.048 0.000 2.481 122 D HA 0.493 5.301 4.640 -0.057 -0.201 0.246 122 D C -0.579 175.666 176.300 -0.091 0.000 1.109 122 D CA -1.924 52.030 54.000 -0.077 0.000 0.845 122 D CB 1.548 42.275 40.800 -0.121 0.000 1.160 122 D HN -0.180 8.158 8.370 -0.053 0.000 0.534 123 Q N 3.659 123.422 119.800 -0.062 0.000 2.363 123 Q HA 0.415 4.701 4.340 -0.091 0.000 0.265 123 Q C -1.440 174.554 176.000 -0.010 0.000 1.032 123 Q CA -1.216 54.559 55.803 -0.048 0.000 0.746 123 Q CB 1.447 30.189 28.738 0.006 0.000 1.237 123 Q HN -0.121 8.125 8.270 -0.040 0.000 0.475 124 I N -0.056 120.462 120.570 -0.087 0.000 2.493 124 I HA 0.617 5.072 4.170 0.105 -0.222 0.298 124 I C -0.524 175.604 176.117 0.019 0.000 0.998 124 I CA -2.772 58.511 61.300 -0.027 0.000 1.137 124 I CB 1.728 39.543 38.000 -0.309 0.000 1.310 124 I HN 0.272 8.386 8.210 -0.160 0.000 0.445 125 H N 4.388 123.474 119.070 0.026 0.000 2.472 125 H HA 0.268 4.833 4.556 0.016 0.000 0.335 125 H C -0.760 174.620 175.328 0.087 0.000 1.136 125 H CA -1.197 54.875 56.048 0.041 0.000 1.264 125 H CB 2.701 32.489 29.762 0.042 0.000 1.486 125 H HN -0.111 8.390 8.280 0.368 0.000 0.517 126 V N 2.617 122.615 119.914 0.140 0.000 2.607 126 V HA 0.162 4.552 4.120 0.180 -0.161 0.289 126 V C -0.460 175.715 176.094 0.134 0.000 1.053 126 V CA 0.452 62.833 62.300 0.135 0.000 0.996 126 V CB 1.298 33.166 31.823 0.075 0.000 0.995 126 V HN 0.375 8.606 8.190 0.067 0.000 0.476 127 D N 5.892 126.367 120.400 0.126 0.000 2.826 127 D HA 0.229 4.916 4.640 0.077 0.000 0.239 127 D C -1.345 174.997 176.300 0.070 0.000 1.329 127 D CA -1.114 52.940 54.000 0.091 0.000 0.854 127 D CB 1.267 42.121 40.800 0.090 0.000 1.494 127 D HN 0.046 8.399 8.370 0.141 0.102 0.540 128 P HA -0.152 4.398 4.420 0.050 -0.100 0.231 128 P C -1.207 176.109 177.300 0.028 0.000 1.154 128 P CA 1.673 64.800 63.100 0.045 0.000 0.762 128 P CB 0.107 31.831 31.700 0.039 0.000 0.790 129 V N -6.228 113.702 119.914 0.027 0.000 3.090 129 V HA 0.150 4.276 4.120 0.009 0.000 0.237 129 V C -0.211 175.887 176.094 0.007 0.000 1.209 129 V CA -0.186 62.122 62.300 0.014 0.000 1.209 129 V CB 0.649 32.480 31.823 0.015 0.000 0.971 129 V HN -0.389 7.672 8.190 0.037 0.150 0.477 130 V N 0.006 119.928 119.914 0.014 0.000 2.485 130 V HA -0.114 4.004 4.120 -0.003 0.000 0.287 130 V C -0.469 175.616 176.094 -0.015 0.000 1.022 130 V CA -0.516 61.786 62.300 0.004 0.000 1.067 130 V CB 0.524 32.358 31.823 0.018 0.000 0.967 130 V HN -0.762 7.444 8.190 0.027 0.000 0.479 131 R N 8.318 128.798 120.500 -0.033 0.000 2.421 131 R HA 0.057 4.355 4.340 -0.070 0.000 0.305 131 R C -1.147 175.099 176.300 -0.090 0.000 1.039 131 R CA 0.596 56.658 56.100 -0.064 0.000 1.003 131 R CB 0.230 30.493 30.300 -0.062 0.000 0.959 131 R HN 0.450 8.703 8.270 -0.028 0.000 0.427 132 S N 3.918 119.532 115.700 -0.143 0.000 2.671 132 S HA 0.324 4.707 4.470 -0.144 0.000 0.299 132 S C -0.728 173.647 174.600 -0.374 0.000 1.116 132 S CA -2.855 55.226 58.200 -0.199 0.000 0.912 132 S CB 2.076 65.180 63.200 -0.161 0.000 1.130 132 S HN -0.014 8.205 8.310 -0.152 0.000 0.501 133 L N 1.567 122.532 121.223 -0.430 0.000 2.540 133 L HA -0.041 3.999 4.340 -0.500 0.000 0.276 133 L C -1.036 175.172 176.870 -1.102 0.000 1.212 133 L CA 0.859 55.341 54.840 -0.596 0.000 0.893 133 L CB 0.689 42.478 42.059 -0.451 0.000 1.138 133 L HN 0.370 8.437 8.230 -0.272 0.000 0.491 134 D N 5.463 125.522 120.400 -0.568 0.000 2.422 134 D HA -0.080 4.007 4.640 -0.922 0.000 0.227 134 D C -0.094 176.031 176.300 -0.291 0.000 1.190 134 D CA -0.272 53.400 54.000 -0.546 0.000 0.905 134 D CB -0.676 40.044 40.800 -0.133 0.000 1.034 134 D HN 0.151 8.378 8.370 -0.239 0.000 0.507 135 F N 3.906 123.936 119.950 0.133 0.000 2.765 135 F HA 0.235 4.949 4.527 0.310 0.000 0.302 135 F C 1.207 177.060 175.800 0.088 0.000 1.111 135 F CA -1.593 56.514 58.000 0.179 0.000 1.359 135 F CB -1.297 37.796 39.000 0.155 0.000 1.097 135 F HN -0.410 6.484 8.300 -2.344 0.000 0.577 136 S N 2.117 117.939 115.700 0.204 0.000 2.413 136 S HA -0.379 4.206 4.470 0.192 0.000 0.237 136 S C 0.666 175.318 174.600 0.088 0.000 1.044 136 S CA 3.792 62.078 58.200 0.142 0.000 1.024 136 S CB -0.219 63.018 63.200 0.061 0.000 0.829 136 S HN -0.277 8.258 8.310 0.065 -0.186 0.475 137 S N -1.125 114.599 115.700 0.039 0.000 2.624 137 S HA 0.230 4.700 4.470 0.000 0.000 0.246 137 S C -0.405 174.177 174.600 -0.031 0.000 1.072 137 S CA -1.674 56.511 58.200 -0.024 0.000 1.045 137 S CB 0.010 63.147 63.200 -0.106 0.000 0.851 137 S HN -0.426 7.873 8.310 0.034 0.032 0.480 138 A N 2.588 125.463 122.820 0.091 0.000 2.081 138 A HA -0.054 4.310 4.320 0.072 0.000 0.214 138 A C 0.863 178.540 177.584 0.155 0.000 1.158 138 A CA 1.840 53.967 52.037 0.150 0.000 0.724 138 A CB -0.121 19.055 19.000 0.295 0.000 0.826 138 A HN 0.979 9.064 8.150 0.152 0.156 0.463 139 E N -0.255 120.011 120.200 0.111 0.000 2.021 139 E HA -0.304 4.132 4.350 0.144 0.000 0.200 139 E C -0.511 176.142 176.600 0.089 0.000 1.015 139 E CA 5.016 61.480 56.400 0.106 0.000 0.824 139 E CB -2.398 27.342 29.700 0.066 0.000 0.762 139 E HN 0.199 8.586 8.360 0.096 0.031 0.454 140 P HA -0.151 4.270 4.420 0.001 0.000 0.216 140 P C 1.413 178.713 177.300 0.000 0.000 1.154 140 P CA 2.731 65.832 63.100 0.001 0.000 0.865 140 P CB -0.279 31.401 31.700 -0.033 0.000 0.789 141 V N -1.888 118.033 119.914 0.011 0.000 2.231 141 V HA -0.358 3.744 4.120 -0.030 0.000 0.240 141 V C 2.515 178.670 176.094 0.101 0.000 1.039 141 V CA 3.230 65.543 62.300 0.021 0.000 0.998 141 V CB -0.618 31.195 31.823 -0.016 0.000 0.639 141 V HN -0.947 7.161 8.190 0.005 0.085 0.451 142 F N 0.345 120.310 119.950 0.025 0.000 2.147 142 F HA -0.374 4.186 4.527 0.055 0.000 0.301 142 F C 2.479 178.274 175.800 -0.008 0.000 1.084 142 F CA 3.835 61.859 58.000 0.040 0.000 1.268 142 F CB -0.150 38.895 39.000 0.076 0.000 1.009 142 F HN 0.826 9.242 8.300 0.377 0.111 0.486 143 T N -2.839 111.787 114.554 0.120 0.000 2.881 143 T HA -0.374 3.994 4.350 0.029 0.000 0.270 143 T C 1.886 176.546 174.700 -0.066 0.000 1.068 143 T CA 3.826 65.940 62.100 0.024 0.000 1.131 143 T CB -0.510 68.377 68.868 0.033 0.000 0.871 143 T HN 0.724 8.943 8.240 0.171 0.124 0.479 144 A N 0.758 123.529 122.820 -0.081 0.000 2.119 144 A HA -0.055 4.194 4.320 -0.118 0.000 0.217 144 A C 0.561 178.005 177.584 -0.233 0.000 1.153 144 A CA 1.905 53.864 52.037 -0.131 0.000 0.692 144 A CB -0.602 18.335 19.000 -0.104 0.000 0.799 144 A HN 0.206 8.160 8.150 -0.038 0.173 0.458 145 S N -4.923 110.588 115.700 -0.314 0.000 2.539 145 S HA 0.018 4.113 4.470 -0.624 0.000 0.221 145 S C 1.154 175.488 174.600 -0.443 0.000 0.987 145 S CA -0.435 57.447 58.200 -0.529 0.000 0.929 145 S CB 0.858 63.667 63.200 -0.650 0.000 0.832 145 S HN -0.511 7.449 8.310 -0.257 0.196 0.492 146 V N 4.316 124.059 119.914 -0.285 0.000 2.255 146 V HA -0.194 3.805 4.120 -0.201 0.000 0.247 146 V C -0.493 175.517 176.094 -0.139 0.000 1.051 146 V CA 5.010 67.201 62.300 -0.180 0.000 1.018 146 V CB -2.300 29.472 31.823 -0.085 0.000 0.641 146 V HN -0.606 7.252 8.190 -0.232 0.192 0.445 147 P HA -0.090 4.306 4.420 -0.041 0.000 0.261 147 P C -1.399 175.863 177.300 -0.064 0.000 1.297 147 P CA 0.615 63.675 63.100 -0.067 0.000 0.757 147 P CB -1.706 29.969 31.700 -0.042 0.000 1.149 148 I N -3.213 117.288 120.570 -0.115 0.000 2.603 148 I HA 0.414 4.593 4.170 0.015 0.000 0.276 148 I C -2.212 173.904 176.117 -0.002 0.000 1.133 148 I CA -3.113 58.156 61.300 -0.052 0.000 1.070 148 I CB 1.674 39.583 38.000 -0.153 0.000 1.215 148 I HN -0.447 7.488 8.210 -0.162 0.177 0.487 149 P HA 0.073 4.505 4.420 0.021 0.000 0.255 149 P C -1.564 175.787 177.300 0.084 0.000 1.301 149 P CA 0.482 63.607 63.100 0.042 0.000 0.817 149 P CB 0.273 31.992 31.700 0.032 0.000 1.259 150 D N -2.875 117.609 120.400 0.139 0.000 2.670 150 D HA 0.252 5.073 4.640 0.085 -0.130 0.255 150 D C -1.759 174.643 176.300 0.169 0.000 1.286 150 D CA -0.887 53.189 54.000 0.126 0.000 0.830 150 D CB 0.339 41.194 40.800 0.092 0.000 1.065 150 D HN -0.162 8.199 8.370 0.175 0.113 0.486 151 F N 0.306 120.242 119.950 -0.023 0.000 2.432 151 F HA 0.063 4.585 4.527 -0.007 0.000 0.329 151 F C -1.535 174.273 175.800 0.012 0.000 1.076 151 F CA -0.073 57.914 58.000 -0.021 0.000 1.018 151 F CB 3.386 42.342 39.000 -0.074 0.000 1.201 151 F HN -0.952 7.446 8.300 0.279 0.069 0.489 152 G N -0.158 108.632 108.800 -0.017 0.000 2.524 152 G HA2 0.635 4.791 3.960 0.118 0.000 0.310 152 G HA3 0.635 4.585 3.960 -0.017 0.000 0.310 152 G C -2.703 172.272 174.900 0.125 0.000 1.279 152 G CA -1.148 43.983 45.100 0.052 0.000 0.974 152 G HN 0.061 8.150 8.290 -0.335 0.000 0.484 153 L N 1.580 122.910 121.223 0.179 0.000 2.381 153 L HA 0.488 4.947 4.340 0.198 0.000 0.274 153 L C -2.249 174.695 176.870 0.123 0.000 0.988 153 L CA -0.765 54.199 54.840 0.206 0.000 0.824 153 L CB 3.888 46.152 42.059 0.342 0.000 1.263 153 L HN 0.159 8.493 8.230 0.173 0.000 0.410 154 K N 4.285 124.729 120.400 0.072 0.000 2.507 154 K HA 0.473 4.813 4.320 0.032 0.000 0.251 154 K C -2.117 174.465 176.600 -0.030 0.000 0.943 154 K CA -1.907 54.395 56.287 0.024 0.000 0.794 154 K CB 3.852 36.360 32.500 0.014 0.000 1.188 154 K HN 0.002 8.300 8.250 0.080 0.000 0.428 155 V N 4.090 123.967 119.914 -0.060 0.000 2.604 155 V HA 0.279 4.304 4.120 -0.160 0.000 0.305 155 V C -1.310 174.730 176.094 -0.091 0.000 1.043 155 V CA -1.117 61.103 62.300 -0.132 0.000 0.888 155 V CB 2.603 34.298 31.823 -0.213 0.000 0.995 155 V HN -0.048 8.125 8.190 -0.029 0.000 0.429 156 E N 7.852 127.996 120.200 -0.094 0.000 3.388 156 E HA 0.274 4.594 4.350 -0.050 0.000 0.271 156 E C 0.337 176.892 176.600 -0.075 0.000 0.808 156 E CA -1.774 54.587 56.400 -0.066 0.000 1.710 156 E CB 2.262 31.932 29.700 -0.050 0.000 1.831 156 E HN 0.789 8.981 8.360 -0.113 0.101 0.541 157 R N -3.708 116.757 120.500 -0.057 0.000 2.365 157 R HA 0.165 4.690 4.340 -0.066 -0.225 0.223 157 R C -0.667 175.601 176.300 -0.054 0.000 0.899 157 R CA 1.144 57.211 56.100 -0.056 0.000 1.059 157 R CB 0.798 31.075 30.300 -0.040 0.000 1.086 157 R HN 0.322 8.564 8.270 -0.047 0.000 0.522 158 D N -8.164 112.206 120.400 -0.051 0.000 2.267 158 D HA 0.129 4.744 4.640 -0.042 0.000 0.297 158 D C -0.636 175.639 176.300 -0.042 0.000 1.087 158 D CA 0.281 54.256 54.000 -0.041 0.000 0.864 158 D CB 1.055 41.839 40.800 -0.027 0.000 1.557 158 D HN -0.233 8.049 8.370 -0.052 0.057 0.523 159 T N -2.212 112.313 114.554 -0.048 0.000 2.865 159 T HA 0.213 4.542 4.350 -0.034 0.000 0.294 159 T C -2.297 172.363 174.700 -0.067 0.000 1.119 159 T CA -1.105 60.970 62.100 -0.041 0.000 1.007 159 T CB 2.317 71.174 68.868 -0.019 0.000 1.225 159 T HN -0.839 7.371 8.240 -0.051 0.000 0.515 160 V N 2.737 122.620 119.914 -0.051 0.000 2.577 160 V HA 0.345 4.505 4.120 -0.094 -0.096 0.303 160 V C -1.792 174.303 176.094 0.002 0.000 1.042 160 V CA -1.267 60.992 62.300 -0.069 0.000 0.872 160 V CB 3.591 35.328 31.823 -0.143 0.000 0.998 160 V HN 0.883 9.063 8.190 -0.018 0.000 0.423 161 T N 8.707 123.265 114.554 0.005 0.000 2.888 161 T HA 0.457 4.967 4.350 0.042 -0.134 0.284 161 T C -2.222 172.513 174.700 0.058 0.000 1.017 161 T CA -0.495 61.623 62.100 0.031 0.000 1.022 161 T CB 2.198 71.073 68.868 0.011 0.000 1.013 161 T HN 0.499 8.729 8.240 -0.016 0.000 0.465 162 L N 5.676 126.943 121.223 0.072 0.000 2.349 162 L HA 0.406 4.814 4.340 0.113 0.000 0.278 162 L C -2.274 174.601 176.870 0.009 0.000 0.996 162 L CA -1.171 53.727 54.840 0.096 0.000 0.825 162 L CB 3.398 45.563 42.059 0.176 0.000 1.243 162 L HN 0.803 8.964 8.230 0.063 0.107 0.412 163 T N 1.247 115.745 114.554 -0.095 0.000 3.071 163 T HA 0.382 4.609 4.350 -0.205 0.000 0.311 163 T C -1.755 172.600 174.700 -0.574 0.000 1.042 163 T CA -1.212 60.746 62.100 -0.236 0.000 1.028 163 T CB 2.525 71.309 68.868 -0.139 0.000 1.068 163 T HN -0.147 8.053 8.240 -0.067 0.000 0.451 164 G N 1.204 109.463 108.800 -0.901 0.000 2.742 164 G HA2 0.328 3.754 3.960 -0.890 0.000 0.296 164 G HA3 0.328 2.148 3.960 -3.567 0.000 0.296 164 G C -1.535 172.976 174.900 -0.650 0.000 1.436 164 G CA -0.201 44.034 45.100 -1.442 0.000 0.928 164 G HN -0.301 7.624 8.290 -0.607 0.000 0.520 165 T N 4.809 119.187 114.554 -0.293 0.000 2.751 165 T HA -0.260 4.047 4.350 -0.073 0.000 0.290 165 T C -1.185 173.572 174.700 0.096 0.000 0.919 165 T CA 0.878 62.942 62.100 -0.060 0.000 1.136 165 T CB 0.130 68.986 68.868 -0.020 0.000 0.875 165 T HN -0.344 7.724 8.240 -0.288 0.000 0.532 166 A N 7.468 130.345 122.820 0.096 0.000 2.644 166 A HA 0.500 4.931 4.320 0.184 0.000 0.343 166 A C -2.152 175.455 177.584 0.037 0.000 1.324 166 A CA -3.570 48.550 52.037 0.139 0.000 0.846 166 A CB 0.341 19.459 19.000 0.197 0.000 1.128 166 A HN 0.047 8.220 8.150 0.038 0.000 0.484 167 P HA -0.232 4.178 4.420 -0.017 0.000 0.231 167 P C -0.726 176.532 177.300 -0.069 0.000 1.154 167 P CA 0.934 64.016 63.100 -0.030 0.000 0.762 167 P CB 0.423 32.103 31.700 -0.034 0.000 0.790 168 S N -4.161 111.478 115.700 -0.102 0.000 3.641 168 S HA 0.076 4.463 4.470 -0.137 0.000 0.180 168 S C -0.665 173.911 174.600 -0.041 0.000 0.854 168 S CA -1.364 56.743 58.200 -0.155 0.000 1.343 168 S CB 1.479 64.396 63.200 -0.471 0.000 0.685 168 S HN -0.092 8.042 8.310 -0.069 0.134 0.724 169 S N -1.643 114.066 115.700 0.015 0.000 6.501 169 S HA 0.046 4.553 4.470 0.062 0.000 0.105 169 S C -0.331 174.344 174.600 0.125 0.000 1.425 169 S CA 0.681 58.922 58.200 0.068 0.000 1.039 169 S CB 0.019 63.247 63.200 0.047 0.000 1.696 169 S HN -0.111 8.204 8.310 0.008 0.000 0.586 170 E N 1.404 121.680 120.200 0.127 0.000 2.233 170 E HA -0.336 4.062 4.350 0.081 0.000 0.199 170 E C 1.740 178.420 176.600 0.134 0.000 1.004 170 E CA 2.718 59.185 56.400 0.112 0.000 0.819 170 E CB -0.542 29.210 29.700 0.087 0.000 0.738 170 E HN 0.522 8.947 8.360 0.108 0.000 0.478 171 H N -0.204 118.873 119.070 0.012 0.000 2.496 171 H HA -0.273 4.270 4.556 -0.020 0.000 0.296 171 H C 2.040 177.363 175.328 -0.008 0.000 1.107 171 H CA 2.617 58.662 56.048 -0.006 0.000 1.263 171 H CB -0.300 29.460 29.762 -0.003 0.000 1.369 171 H HN 0.183 8.652 8.280 0.398 0.050 0.541 172 K N -2.597 117.897 120.400 0.156 0.000 2.243 172 K HA -0.170 4.223 4.320 0.122 0.000 0.201 172 K C 1.139 177.786 176.600 0.078 0.000 1.051 172 K CA 2.434 58.805 56.287 0.139 0.000 0.970 172 K CB -0.639 31.982 32.500 0.202 0.000 0.755 172 K HN 0.158 8.352 8.250 0.178 0.162 0.465 173 D N 0.957 121.391 120.400 0.055 0.000 2.137 173 D HA -0.402 4.264 4.640 0.042 0.000 0.189 173 D C 1.423 177.725 176.300 0.004 0.000 0.998 173 D CA 3.594 57.612 54.000 0.030 0.000 0.839 173 D CB -0.100 40.710 40.800 0.017 0.000 0.962 173 D HN 0.237 8.472 8.370 0.068 0.175 0.446 174 A N -1.594 121.207 122.820 -0.030 0.000 1.958 174 A HA -0.311 3.983 4.320 -0.044 0.000 0.221 174 A C 2.338 179.894 177.584 -0.046 0.000 1.178 174 A CA 3.092 55.097 52.037 -0.052 0.000 0.642 174 A CB -0.720 18.225 19.000 -0.092 0.000 0.816 174 A HN -0.290 7.836 8.150 -0.041 0.000 0.453 175 V N -1.501 118.387 119.914 -0.044 0.000 2.295 175 V HA -0.607 3.473 4.120 -0.066 0.000 0.246 175 V C 1.765 177.878 176.094 0.032 0.000 1.049 175 V CA 4.884 67.165 62.300 -0.032 0.000 1.024 175 V CB -0.271 31.524 31.823 -0.047 0.000 0.648 175 V HN -0.380 7.685 8.190 -0.044 0.098 0.447 176 K N -0.082 120.352 120.400 0.057 0.000 2.026 176 K HA -0.315 4.069 4.320 0.108 0.000 0.208 176 K C 2.172 178.794 176.600 0.037 0.000 1.048 176 K CA 3.113 59.444 56.287 0.073 0.000 0.929 176 K CB -0.172 32.373 32.500 0.075 0.000 0.713 176 K HN -0.221 7.986 8.250 0.055 0.077 0.439 177 R N -1.982 118.525 120.500 0.011 0.000 2.091 177 R HA -0.235 4.103 4.340 -0.002 0.000 0.238 177 R C 3.082 179.360 176.300 -0.036 0.000 1.136 177 R CA 2.943 59.037 56.100 -0.010 0.000 0.959 177 R CB -0.507 29.782 30.300 -0.018 0.000 0.856 177 R HN 0.052 8.328 8.270 0.011 0.000 0.437 178 A N -0.623 122.169 122.820 -0.047 0.000 1.902 178 A HA -0.339 3.924 4.320 -0.095 0.000 0.217 178 A C 1.076 178.569 177.584 -0.151 0.000 1.181 178 A CA 2.866 54.850 52.037 -0.088 0.000 0.623 178 A CB -0.575 18.380 19.000 -0.075 0.000 0.818 178 A HN -0.025 8.098 8.150 -0.033 0.007 0.443 179 A N -1.828 120.937 122.820 -0.091 0.000 1.873 179 A HA -0.245 3.819 4.320 -0.426 0.000 0.215 179 A C 2.083 179.611 177.584 -0.093 0.000 1.186 179 A CA 2.826 54.791 52.037 -0.121 0.000 0.616 179 A CB -0.518 18.588 19.000 0.178 0.000 0.823 179 A HN -0.344 7.720 8.150 -0.020 0.074 0.442 180 T N -0.706 113.849 114.554 0.002 0.000 2.653 180 T HA -0.535 3.865 4.350 0.084 0.000 0.268 180 T C 1.929 176.603 174.700 -0.042 0.000 1.035 180 T CA 3.652 65.765 62.100 0.022 0.000 1.154 180 T CB -0.417 68.464 68.868 0.021 0.000 0.862 180 T HN 0.223 8.474 8.240 0.019 0.000 0.441 181 S N 0.305 115.947 115.700 -0.097 0.000 2.399 181 S HA -0.157 4.268 4.470 -0.076 0.000 0.231 181 S C 1.525 176.001 174.600 -0.207 0.000 1.022 181 S CA 2.929 61.058 58.200 -0.120 0.000 0.983 181 S CB 0.229 63.361 63.200 -0.114 0.000 0.803 181 S HN -0.378 7.877 8.310 -0.092 -0.000 0.480 182 T N 0.763 115.074 114.554 -0.404 0.000 2.896 182 T HA -0.124 3.926 4.350 -0.499 0.000 0.263 182 T C 0.147 174.405 174.700 -0.737 0.000 1.050 182 T CA 2.342 63.994 62.100 -0.746 0.000 1.140 182 T CB 0.393 68.418 68.868 -1.406 0.000 0.877 182 T HN -0.645 7.233 8.240 -0.402 0.121 0.457 183 W N 0.478 121.775 121.300 -0.004 0.000 2.291 183 W HA 0.472 5.115 4.660 -0.029 0.000 0.288 183 W C -2.070 174.445 176.519 -0.007 0.000 0.976 183 W CA -2.667 54.670 57.345 -0.014 0.000 1.744 183 W CB -0.264 29.190 29.460 -0.010 0.000 1.815 183 W HN 0.199 8.260 8.180 -0.198 0.000 0.396 184 P HA 0.153 4.661 4.420 0.080 -0.040 0.222 184 P C -0.424 176.923 177.300 0.078 0.000 1.157 184 P CA 1.386 64.534 63.100 0.081 0.000 0.816 184 P CB 0.526 32.248 31.700 0.035 0.000 0.813 185 D N -2.594 117.854 120.400 0.079 0.000 2.349 185 D HA 0.041 4.705 4.640 0.040 0.000 0.224 185 D C -0.825 175.506 176.300 0.052 0.000 1.029 185 D CA 0.693 54.724 54.000 0.053 0.000 0.879 185 D CB 0.083 40.907 40.800 0.039 0.000 0.906 185 D HN 0.233 8.659 8.370 0.094 0.000 0.528 186 M N -2.287 117.362 119.600 0.082 0.000 2.383 186 M HA 0.078 4.573 4.480 0.024 0.000 0.325 186 M C -0.847 175.493 176.300 0.067 0.000 1.092 186 M CA -0.937 54.395 55.300 0.055 0.000 0.961 186 M CB 2.877 35.498 32.600 0.034 0.000 1.672 186 M HN -0.928 7.349 8.290 0.124 0.088 0.438 187 K N 2.591 123.013 120.400 0.037 0.000 2.416 187 K HA -0.014 4.335 4.320 0.048 0.000 0.283 187 K C -1.401 175.232 176.600 0.055 0.000 1.037 187 K CA 0.048 56.360 56.287 0.041 0.000 0.995 187 K CB 0.070 32.583 32.500 0.022 0.000 0.938 187 K HN 0.410 8.671 8.250 0.017 0.000 0.475 188 I N 3.586 124.203 120.570 0.078 0.000 2.362 188 I HA 0.768 5.241 4.170 0.097 -0.244 0.289 188 I C 0.009 176.172 176.117 0.076 0.000 0.994 188 I CA -1.552 59.808 61.300 0.101 0.000 1.158 188 I CB 1.454 39.546 38.000 0.152 0.000 1.315 188 I HN 0.217 8.471 8.210 0.073 0.000 0.451 189 V N 8.189 128.143 119.914 0.066 0.000 2.304 189 V HA 0.345 4.495 4.120 0.051 0.000 0.278 189 V C -2.432 173.697 176.094 0.059 0.000 1.018 189 V CA -1.853 60.478 62.300 0.051 0.000 0.814 189 V CB 1.287 33.129 31.823 0.032 0.000 1.021 189 V HN 0.416 8.645 8.190 0.066 0.000 0.440 190 N N 9.773 128.513 118.700 0.068 0.000 2.589 190 N HA 0.378 5.386 4.740 0.075 -0.223 0.232 190 N C -1.269 174.273 175.510 0.052 0.000 1.015 190 N CA -0.671 52.425 53.050 0.076 0.000 0.931 190 N CB 1.037 39.591 38.487 0.110 0.000 1.150 190 N HN 0.402 8.822 8.380 0.067 0.000 0.512 191 N N 4.234 122.949 118.700 0.026 0.000 2.816 191 N HA 0.184 4.938 4.740 0.022 0.000 0.236 191 N C -1.169 174.335 175.510 -0.010 0.000 1.076 191 N CA -0.814 52.243 53.050 0.012 0.000 0.902 191 N CB 0.131 38.620 38.487 0.004 0.000 1.149 191 N HN -0.185 8.207 8.380 0.018 0.000 0.506 192 I N 1.841 122.414 120.570 0.005 0.000 2.696 192 I HA -0.034 4.093 4.170 -0.072 0.000 0.284 192 I C 0.058 176.165 176.117 -0.016 0.000 1.129 192 I CA -0.581 60.710 61.300 -0.015 0.000 1.410 192 I CB -0.210 37.816 38.000 0.045 0.000 1.399 192 I HN 0.064 8.293 8.210 0.032 0.000 0.579 193 E N 5.486 125.665 120.200 -0.036 0.000 2.283 193 E HA 0.232 4.575 4.350 -0.012 0.000 0.258 193 E C -1.175 175.411 176.600 -0.023 0.000 0.893 193 E CA -0.988 55.397 56.400 -0.025 0.000 0.798 193 E CB 2.004 31.685 29.700 -0.031 0.000 1.242 193 E HN 0.349 8.671 8.360 -0.063 0.000 0.414 194 V N 0.765 120.674 119.914 -0.009 0.000 2.446 194 V HA 0.168 4.284 4.120 -0.007 0.000 0.276 194 V C -0.042 176.046 176.094 -0.011 0.000 1.030 194 V CA -0.231 62.065 62.300 -0.007 0.000 1.033 194 V CB 0.091 31.913 31.823 -0.003 0.000 0.993 194 V HN 0.114 8.301 8.190 -0.004 0.000 0.477 195 T N 3.667 118.213 114.554 -0.013 0.000 2.840 195 T HA -0.034 4.308 4.350 -0.014 0.000 0.276 195 T C -0.335 174.360 174.700 -0.009 0.000 0.912 195 T CA 0.114 62.207 62.100 -0.013 0.000 1.116 195 T CB -0.370 68.489 68.868 -0.014 0.000 0.895 195 T HN 0.256 8.487 8.240 -0.014 0.000 0.570 196 G N 6.385 115.180 108.800 -0.008 0.000 3.962 196 G HA2 0.018 3.975 3.960 -0.006 0.000 0.147 196 G HA3 0.018 3.974 3.960 -0.007 0.000 0.147 196 G C 0.069 174.966 174.900 -0.006 0.000 1.294 196 G CA 1.207 46.303 45.100 -0.007 0.000 1.011 196 G HN -0.207 8.078 8.290 -0.009 0.000 0.432 197 Q N 1.233 121.030 119.800 -0.005 0.000 1.975 197 Q HA -0.186 4.151 4.340 -0.004 0.000 0.205 197 Q C 0.873 176.871 176.000 -0.005 0.000 0.990 197 Q CA 1.450 57.250 55.803 -0.004 0.000 0.845 197 Q CB 0.153 28.889 28.738 -0.004 0.000 0.913 197 Q HN 0.211 8.478 8.270 -0.005 0.000 0.420 198 A N -0.134 122.683 122.820 -0.006 0.000 2.346 198 A HA 0.120 4.437 4.320 -0.005 0.000 0.252 198 A C -1.937 175.643 177.584 -0.007 0.000 1.089 198 A CA -1.588 50.446 52.037 -0.006 0.000 0.797 198 A CB -0.339 18.657 19.000 -0.007 0.000 1.047 198 A HN -0.045 8.102 8.150 -0.006 0.000 0.494 199 P HA 0.186 4.603 4.420 -0.006 0.000 0.274 199 P C -2.176 175.119 177.300 -0.008 0.000 1.246 199 P CA -1.537 61.559 63.100 -0.006 0.000 0.795 199 P CB -0.472 31.225 31.700 -0.005 0.000 1.006 200 P HA -0.063 4.351 4.420 -0.010 0.000 0.259 200 P C 0.315 177.609 177.300 -0.010 0.000 1.163 200 P CA 0.507 63.602 63.100 -0.009 0.000 0.760 200 P CB 0.173 31.869 31.700 -0.007 0.000 0.762 201 G N 2.877 111.669 108.800 -0.014 0.000 2.525 201 G HA2 0.075 4.026 3.960 -0.013 0.000 0.276 201 G HA3 0.075 4.023 3.960 -0.019 0.000 0.276 201 G C -1.777 173.115 174.900 -0.013 0.000 1.388 201 G CA -1.251 43.840 45.100 -0.015 0.000 1.050 201 G HN -0.118 8.162 8.290 -0.015 0.000 0.520 202 P HA 0.101 4.515 4.420 -0.009 0.000 0.269 202 P C -2.003 175.290 177.300 -0.011 0.000 1.211 202 P CA -0.843 62.250 63.100 -0.012 0.000 0.781 202 P CB -0.173 31.519 31.700 -0.013 0.000 0.877 203 P HA 0.000 4.417 4.420 -0.005 0.000 0.216 203 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 203 P CB 0.000 31.698 31.700 -0.003 0.000 0.726