#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k81 h ILE 109 N 0.00 1.22 -3.17 2.52 2.04 -2.08 -3.40 117.51 114.64 1k81 h ILE 109 Ca 0.00 -0.66 -0.59 0.00 1.00 0.00 0.00 64.86 64.61 1k81 h ILE 109 Cb 0.00 1.60 -0.40 0.00 -0.74 0.00 0.00 36.82 37.28 1k81 h ILE 109 CO 0.00 0.18 -0.75 0.00 0.00 0.00 0.00 178.15 177.57 1k81 n ARG 111 N 4.75 0.68 -1.09 0.00 0.00 -1.26 -4.10 116.66 115.64 1k81 n ARG 111 Ca -0.01 0.27 -0.24 0.00 -0.00 0.00 0.00 57.85 57.87 1k81 n ARG 111 Cb 0.42 -1.75 0.11 0.00 -0.00 0.00 0.00 32.46 31.24 1k81 n ARG 111 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1k81 n GLU 112 N -3.20 2.19 -0.02 2.89 2.13 -1.26 -4.06 120.64 119.32 1k81 n GLU 112 Ca -0.23 -2.59 -0.02 0.00 0.66 0.00 0.00 57.16 54.98 1k81 n GLU 112 Cb 1.05 -2.02 -0.03 0.00 0.27 0.00 0.00 31.44 30.72 1k81 n GLU 112 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k81 n GLY 114 N 2.74 2.06 2.93 0.00 0.00 -1.26 -4.23 105.19 107.43 1k81 n GLY 114 Ca -0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 1k81 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k81 s LYS 115 N 0.00 2.49 0.00 1.61 -0.14 -1.26 -5.05 119.74 117.40 1k81 s LYS 115 Ca 0.00 -3.27 0.00 0.00 -1.36 0.00 0.00 55.97 51.34 1k81 s LYS 115 Cb 0.00 -3.47 0.00 0.00 -1.68 0.00 0.00 37.83 32.68 1k81 s LYS 115 CO 0.00 -1.27 0.00 -0.35 -0.76 0.00 0.00 175.35 172.97 1k81 n PRO 116 N 2.13 3.82 -4.18 -1.68 -0.04 -1.26 -5.12 135.00 128.67 1k81 n PRO 116 Ca 0.18 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.47 1k81 n PRO 116 Cb 0.35 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.69 1k81 n PRO 116 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k81 s ASP 117 N -0.89 1.64 -0.06 3.54 1.11 -1.02 -5.04 116.67 115.96 1k81 s ASP 117 Ca 0.00 -0.71 0.03 0.00 0.18 0.00 0.00 52.55 52.05 1k81 s ASP 117 Cb 0.00 -0.03 0.00 0.00 1.07 0.00 0.00 42.92 43.96 1k81 s ASP 117 CO 0.00 -0.15 -0.15 0.28 1.18 0.00 0.00 175.17 176.32 1k81 s THR 118 N -1.81 1.35 -0.02 -1.27 -1.32 -1.26 -2.19 115.64 109.12 1k81 s THR 118 Ca 0.02 -0.63 0.03 0.00 -1.21 0.00 0.00 61.69 59.89 1k81 s THR 118 Cb -0.07 -1.19 -0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1k81 s THR 118 CO 0.02 0.40 -0.09 -0.54 -2.21 0.00 0.00 174.62 172.20 1k81 s LYS 119 N 0.37 0.84 -0.03 7.08 -0.14 -0.87 -5.04 119.74 121.95 1k81 s LYS 119 Ca -0.11 -0.30 0.04 0.00 -1.36 0.00 0.00 55.97 54.24 1k81 s LYS 119 Cb -0.14 -0.80 -0.00 0.00 -1.68 0.00 0.00 37.83 35.20 1k81 s LYS 119 CO 0.04 0.14 -0.14 -1.50 -0.76 0.00 0.00 175.35 173.13 1k81 s ILE 120 N 0.05 1.17 -0.03 2.17 2.07 -1.26 -1.92 121.20 123.45 1k81 s ILE 120 Ca -0.01 -0.58 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 1k81 s ILE 120 Cb -0.07 -1.01 -0.00 0.00 0.13 0.00 0.00 42.46 41.52 1k81 s ILE 120 CO 0.00 0.34 -0.12 0.27 -1.91 0.00 0.00 174.94 173.52 1k81 s ILE 121 N 0.03 0.99 -0.03 2.00 -5.25 -0.94 -5.04 121.20 112.97 1k81 s ILE 121 Ca -0.02 -0.49 0.04 0.00 -0.99 0.00 0.00 60.65 59.18 1k81 s ILE 121 Cb -0.10 -0.86 -0.00 0.00 2.95 0.00 0.00 42.46 44.45 1k81 s ILE 121 CO 0.01 0.29 -0.14 -0.75 -1.79 0.00 0.00 174.94 172.56 1k81 s LYS 122 N 0.02 1.42 -0.03 0.37 2.20 -1.26 -1.96 119.74 120.50 1k81 s LYS 122 Ca -0.01 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1k81 s LYS 122 Cb -0.08 -1.28 -0.00 0.00 -1.51 0.00 0.00 37.83 34.95 1k81 s LYS 122 CO 0.01 0.22 -0.12 -1.21 -0.36 0.00 0.00 175.35 173.89 1k81 s GLU 123 N -0.00 1.15 2.96 4.03 8.01 -0.96 -5.00 118.70 128.90 1k81 s GLU 123 Ca -0.01 -0.41 0.00 0.00 0.01 0.00 0.00 54.97 54.56 1k81 s GLU 123 Cb -0.09 -1.06 0.00 0.00 -4.31 0.00 0.00 34.13 28.66 1k81 s GLU 123 CO 0.01 0.18 0.00 0.41 0.01 0.00 0.00 175.26 175.87 1k81 n GLY 124 N 3.13 0.26 2.16 -1.39 0.00 -1.26 -1.96 105.19 106.14 1k81 n GLY 124 Ca -0.17 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1k81 n GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k81 n ARG 125 N 0.00 0.91 -4.28 1.61 0.00 -1.26 -5.08 116.66 108.56 1k81 n ARG 125 Ca 0.00 -2.38 -0.19 0.00 -0.00 0.00 0.00 57.85 55.29 1k81 n ARG 125 Cb 0.00 -0.53 -0.15 0.00 -0.00 0.00 0.00 32.46 31.78 1k81 n ARG 125 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1k81 s VAL 126 N -1.54 0.61 -0.09 8.89 1.01 -0.83 -4.68 120.40 123.78 1k81 s VAL 126 Ca 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1k81 s VAL 126 Cb 0.32 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1k81 s VAL 126 CO -0.09 0.19 -0.05 -1.00 0.00 0.00 0.00 175.10 174.15 1k81 s HIS 127 N 0.14 2.99 -0.02 5.22 3.76 -0.92 -2.26 115.29 124.20 1k81 s HIS 127 Ca -0.02 -0.04 0.04 0.00 -0.15 0.00 0.00 55.06 54.89 1k81 s HIS 127 Cb -0.07 -1.78 -0.00 0.00 1.11 0.00 0.00 32.58 31.84 1k81 s HIS 127 CO -0.00 0.26 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.85 1k81 s LEU 128 N -0.53 1.91 -0.07 0.89 2.96 -0.83 -1.93 118.68 121.09 1k81 s LEU 128 Ca 0.08 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1k81 s LEU 128 Cb -0.12 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 1k81 s LEU 128 CO 0.02 0.13 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.77 1k81 s LEU 129 N -0.04 2.45 -0.02 -0.68 2.96 -0.97 -2.20 118.68 120.17 1k81 s LEU 129 Ca -0.00 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1k81 s LEU 129 Cb -0.08 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.12 1k81 s LEU 129 CO 0.01 0.27 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.44 1k81 s LYS 130 N -0.31 1.14 -0.05 1.98 2.20 -0.81 -2.00 119.74 121.88 1k81 s LYS 130 Ca 0.02 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.26 1k81 s LYS 130 Cb -0.13 -1.06 -0.01 0.00 -1.51 0.00 0.00 37.83 35.12 1k81 s LYS 130 CO 0.02 0.21 -0.25 0.00 -0.36 0.00 0.00 175.35 174.98 1k81 s MET 132 N -0.23 3.60 0.00 0.00 1.75 -0.93 -2.64 119.30 120.85 1k81 s MET 132 Ca -0.02 -0.52 0.00 0.00 -1.25 0.00 0.00 55.69 53.90 1k81 s MET 132 Cb -0.13 -2.88 0.00 0.00 2.84 0.00 0.00 34.83 34.66 1k81 s MET 132 CO 0.03 0.28 0.00 0.00 -0.65 0.00 0.00 175.02 174.68 1k81 n ALA 133 N 3.42 0.00 0.25 4.11 0.00 -1.26 -2.44 120.51 124.60 1k81 n ALA 133 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.30 1k81 n ALA 133 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1k81 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k81 n GLY 135 N 1.29 -1.22 3.21 0.00 0.00 -1.17 -5.02 105.19 102.28 1k81 n GLY 135 Ca 0.01 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 1k81 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k81 s ALA 136 N -3.12 1.81 -0.05 4.61 0.00 -1.08 -5.01 121.76 118.92 1k81 s ALA 136 Ca 0.14 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1k81 s ALA 136 Cb -0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1k81 s ALA 136 CO 0.75 0.39 -0.21 0.42 0.00 0.00 0.00 175.76 177.11 1k81 s ILE 137 N -0.26 1.72 -0.02 0.00 1.09 -1.26 -1.92 121.20 120.54 1k81 s ILE 137 Ca 0.02 -0.89 0.03 0.00 -1.10 0.00 0.00 60.65 58.71 1k81 s ILE 137 Cb -0.11 -1.46 -0.00 0.00 -1.06 0.00 0.00 42.46 39.83 1k81 s ILE 137 CO 0.01 0.49 -0.12 -0.13 -0.10 0.00 0.00 174.94 175.09 1k81 s ARG 138 N -0.11 1.15 -0.07 2.79 0.52 -0.85 -5.03 118.95 117.34 1k81 s ARG 138 Ca -0.02 -0.41 -0.15 0.00 -0.52 0.00 0.00 55.73 54.62 1k81 s ARG 138 Cb -0.12 -1.06 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 1k81 s ARG 138 CO 0.02 0.19 0.39 -1.25 0.02 0.00 0.00 175.30 174.68 1k81 s PRO 139 N 0.00 4.10 0.05 3.54 0.04 -1.26 -2.29 135.00 139.18 1k81 s PRO 139 Ca -0.01 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 61.31 1k81 s PRO 139 Cb -0.08 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1k81 s PRO 139 CO 0.00 0.43 0.11 0.42 0.04 0.00 0.00 177.00 178.01 1k81 s ILE 140 N -0.22 0.15 -0.29 0.56 1.01 -0.81 -5.03 121.20 116.56 1k81 s ILE 140 Ca 0.22 -1.20 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 1k81 s ILE 140 Cb -0.15 -1.09 0.13 0.00 0.01 0.00 0.00 42.46 41.36 1k81 s ILE 140 CO 0.10 -0.66 0.86 0.00 0.00 0.00 0.00 174.94 175.24 1k81 s ARG 141 N -3.09 0.47 -0.13 2.79 1.70 -1.26 -2.17 118.95 117.26 1k81 s ARG 141 Ca -0.01 0.93 0.04 0.00 -0.47 0.00 0.00 55.73 56.22 1k81 s ARG 141 Cb 0.02 0.28 -0.10 0.00 -0.57 0.00 0.00 34.95 34.58 1k81 s ARG 141 CO -0.07 -0.12 -0.07 -1.33 -1.08 0.00 0.00 175.30 172.63 1k81 n MET 142 N 4.37 0.94 0.00 3.89 2.81 -1.26 -5.06 117.12 122.82 1k81 n MET 142 Ca -0.16 0.05 0.14 0.00 -1.81 0.00 0.00 57.70 55.92 1k81 n MET 142 Cb 0.56 -1.28 0.52 0.00 -0.71 0.00 0.00 33.22 32.31 1k81 n MET 142 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99