#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fd4 s ILE 2 N 0.00 4.73 0.00 -0.61 1.01 -1.26 -4.90 121.20 120.18 1fd4 s ILE 2 Ca 0.00 2.01 0.11 0.00 0.00 0.00 0.00 60.65 62.77 1fd4 s ILE 2 Cb 0.00 -4.30 0.19 0.00 0.01 0.00 0.00 42.46 38.36 1fd4 s ILE 2 CO 0.00 -0.09 1.03 0.61 0.00 0.00 0.00 174.94 176.48 1fd4 n GLY 3 N 3.25 0.76 3.36 6.18 0.00 -1.23 -1.20 105.19 116.31 1fd4 n GLY 3 Ca 0.10 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 1fd4 n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fd4 s ASP 4 N -1.34 -0.38 0.32 1.61 -4.77 -1.20 -2.93 116.67 107.98 1fd4 s ASP 4 Ca 0.15 0.16 0.01 0.00 -3.30 0.00 0.00 52.55 49.57 1fd4 s ASP 4 Cb 0.17 0.45 0.54 0.00 -1.09 0.00 0.00 42.92 42.99 1fd4 s ASP 4 CO -0.07 -0.65 1.95 -0.65 0.70 0.00 0.00 175.17 176.45 1fd4 h PRO 5 N 3.03 0.87 -0.11 2.11 0.11 -1.82 -2.36 132.00 133.82 1fd4 h PRO 5 Ca -0.30 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 65.62 1fd4 h PRO 5 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1fd4 h PRO 5 CO 0.42 0.63 -0.33 0.28 -0.21 0.00 0.00 178.00 178.78 1fd4 h VAL 6 N 0.88 1.38 -0.63 3.15 2.07 -1.97 -0.61 116.25 120.52 1fd4 h VAL 6 Ca 0.23 -1.65 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1fd4 h VAL 6 Cb 0.01 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1fd4 h VAL 6 CO -0.04 0.49 0.38 0.74 0.02 0.00 0.00 177.57 179.16 1fd4 h THR 7 N 0.00 1.05 0.09 2.57 2.02 -1.97 0.97 112.91 117.64 1fd4 h THR 7 Ca -0.01 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1fd4 h THR 7 Cb 0.95 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1fd4 h THR 7 CO 0.07 0.13 -0.28 0.00 0.37 0.00 0.00 175.52 175.82 1fd4 h LEU 9 N -0.48 0.75 -1.84 0.00 3.38 -0.78 -2.33 115.31 114.01 1fd4 h LEU 9 Ca 0.04 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1fd4 h LEU 9 Cb 0.52 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1fd4 h LEU 9 CO -0.18 0.90 0.23 0.11 0.09 0.00 0.00 178.44 179.59 1fd4 h LYS 10 N 0.68 0.19 0.00 1.13 1.57 -0.65 0.85 116.57 120.33 1fd4 h LYS 10 Ca 0.11 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1fd4 h LYS 10 Cb 0.62 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1fd4 h LYS 10 CO 0.04 0.12 0.00 -1.13 -0.57 0.00 0.00 179.45 177.92 1fd4 n SER 11 N -4.47 0.00 0.00 0.86 3.41 -0.89 -4.88 113.62 107.65 1fd4 n SER 11 Ca 0.04 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1fd4 n SER 11 Cb 0.27 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1fd4 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fd4 n GLY 12 N 0.97 0.82 3.96 5.00 0.00 0.29 -5.08 105.19 111.15 1fd4 n GLY 12 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1fd4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fd4 s ALA 13 N -2.11 3.62 0.17 4.61 0.00 -1.15 -4.96 121.76 121.94 1fd4 s ALA 13 Ca 0.00 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1fd4 s ALA 13 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1fd4 s ALA 13 CO 0.00 -0.98 0.15 0.96 0.00 0.00 0.00 175.76 175.89 1fd4 s ILE 14 N -2.96 4.52 -0.30 0.00 -4.36 0.11 -4.25 121.20 113.96 1fd4 s ILE 14 Ca 0.59 -1.09 -0.09 0.00 -0.26 0.00 0.00 60.65 59.79 1fd4 s ILE 14 Cb -0.10 -3.32 -0.01 0.00 1.25 0.00 0.00 42.46 40.27 1fd4 s ILE 14 CO 0.41 -0.13 0.14 0.00 0.24 0.00 0.00 174.94 175.60 1fd4 s HIS 16 N 1.62 1.33 0.43 0.00 5.04 -0.52 -4.95 115.29 118.23 1fd4 s HIS 16 Ca 0.05 -0.46 -0.24 0.00 -1.54 0.00 0.00 55.06 52.87 1fd4 s HIS 16 Cb -0.17 -0.98 -0.08 0.00 0.04 0.00 0.00 32.58 31.39 1fd4 s HIS 16 CO 0.06 -0.24 1.18 -1.25 -2.34 0.00 0.00 174.74 172.15 1fd4 s PRO 17 N 0.61 3.91 0.00 2.88 0.04 -1.26 -0.39 135.00 140.78 1fd4 s PRO 17 Ca -0.13 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1fd4 s PRO 17 Cb -0.15 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1fd4 s PRO 17 CO 0.03 -0.44 0.00 0.28 0.04 0.00 0.00 177.00 176.91 1fd4 n VAL 18 N -0.19 0.00 -4.03 -0.36 0.31 0.07 -4.79 118.33 109.35 1fd4 n VAL 18 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1fd4 n VAL 18 Cb 0.47 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 1fd4 n VAL 18 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1fd4 s PHE 19 N 0.00 0.50 -0.14 3.52 -0.12 -1.26 -4.90 117.98 115.57 1fd4 s PHE 19 Ca 0.00 -0.83 -0.17 0.00 -0.05 0.00 0.00 56.93 55.88 1fd4 s PHE 19 Cb 0.00 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1fd4 s PHE 19 CO 0.00 -0.91 0.42 0.00 -0.05 0.00 0.00 175.22 174.68 1fd4 s PRO 21 N 0.72 1.86 0.04 0.00 0.04 -1.26 -4.79 135.00 131.61 1fd4 s PRO 21 Ca 0.22 1.31 -0.33 0.00 0.04 0.00 0.00 61.00 62.25 1fd4 s PRO 21 Cb -0.14 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.39 1fd4 s PRO 21 CO 0.08 -1.96 0.84 -2.13 0.04 0.00 0.00 177.00 173.86 1fd4 n ARG 22 N -3.71 0.00 0.00 4.56 3.00 -1.26 -0.55 116.66 118.70 1fd4 n ARG 22 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1fd4 n ARG 22 Cb 0.53 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.77 1fd4 n ARG 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1fd4 n ARG 23 N 1.22 0.00 -3.44 -0.14 5.12 -1.26 -5.00 116.66 113.16 1fd4 n ARG 23 Ca 0.17 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.75 1fd4 n ARG 23 Cb 0.10 -0.94 -0.06 0.00 -1.16 0.00 0.00 32.46 30.41 1fd4 n ARG 23 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1fd4 s TYR 24 N -1.25 3.55 0.00 -1.55 1.51 0.28 -4.41 117.35 115.48 1fd4 s TYR 24 Ca 0.00 0.92 0.08 0.00 -1.01 0.00 0.00 57.07 57.06 1fd4 s TYR 24 Cb 0.00 -2.27 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1fd4 s TYR 24 CO 0.00 0.42 -0.24 0.15 -1.11 0.00 0.00 175.55 174.77 1fd4 s LYS 25 N -2.17 2.07 0.04 -0.62 -0.14 -0.46 -4.63 119.74 113.84 1fd4 s LYS 25 Ca 0.39 -0.96 -0.30 0.00 -1.36 0.00 0.00 55.97 53.74 1fd4 s LYS 25 Cb -0.14 -2.08 -0.05 0.00 -1.68 0.00 0.00 37.83 33.88 1fd4 s LYS 25 CO 0.20 0.55 1.15 -1.14 -0.76 0.00 0.00 175.35 175.35 1fd4 s GLN 26 N -0.90 4.45 0.00 1.68 0.74 -1.26 -0.55 119.66 123.83 1fd4 s GLN 26 Ca 0.11 1.69 0.00 0.00 0.05 0.00 0.00 55.36 57.21 1fd4 s GLN 26 Cb -0.10 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.63 1fd4 s GLN 26 CO 0.01 -0.22 0.32 0.44 -0.55 0.00 0.00 175.29 175.29 1fd4 n ILE 27 N 3.96 0.00 -3.48 -2.34 -5.35 0.25 -4.95 119.36 107.45 1fd4 n ILE 27 Ca 0.08 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1fd4 n ILE 27 Cb 0.47 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 1fd4 n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fd4 n GLY 28 N 0.19 -0.67 3.70 3.28 0.00 -1.16 -4.52 105.19 106.00 1fd4 n GLY 28 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1fd4 n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd4 s THR 29 N -3.00 1.61 -0.26 2.61 -4.23 -0.34 -0.74 115.64 111.29 1fd4 s THR 29 Ca 0.00 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 1fd4 s THR 29 Cb 0.00 -2.58 0.50 0.00 1.34 0.00 0.00 72.50 71.76 1fd4 s THR 29 CO 0.00 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 175.51 1fd4 n GLY 31 N -1.03 1.75 3.76 0.00 0.00 -1.15 -3.28 105.19 105.25 1fd4 n GLY 31 Ca 0.30 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1fd4 n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fd4 s LEU 32 N 0.00 3.77 0.20 0.99 1.43 -1.26 -4.89 118.68 118.92 1fd4 s LEU 32 Ca 0.00 2.38 -0.32 0.00 -1.03 0.00 0.00 54.13 55.16 1fd4 s LEU 32 Cb 0.00 -4.49 -0.14 0.00 0.03 0.00 0.00 46.19 41.59 1fd4 s LEU 32 CO 0.00 -1.40 1.37 -2.65 0.23 0.00 0.00 176.35 173.90 1fd4 n PRO 33 N -1.26 1.78 -0.22 1.29 -0.02 -1.26 -1.45 135.00 133.85 1fd4 n PRO 33 Ca 0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1fd4 n PRO 33 Cb 0.49 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1fd4 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fd4 n GLY 34 N 2.36 1.33 3.75 -1.23 0.00 -1.26 -4.87 105.19 105.28 1fd4 n GLY 34 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1fd4 n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd4 s THR 35 N -2.26 3.76 0.01 2.61 -4.23 -0.53 -0.75 115.64 114.25 1fd4 s THR 35 Ca 0.00 1.77 0.07 0.00 -1.18 0.00 0.00 61.69 62.35 1fd4 s THR 35 Cb 0.00 -4.13 -0.03 0.00 1.34 0.00 0.00 72.50 69.69 1fd4 s THR 35 CO 0.00 0.42 -0.22 -0.54 -0.54 0.00 0.00 174.62 173.74 1fd4 s LYS 36 N -1.29 2.08 -0.24 3.99 -0.14 0.47 -2.81 119.74 121.79 1fd4 s LYS 36 Ca 0.43 -0.96 -0.19 0.00 -1.36 0.00 0.00 55.97 53.90 1fd4 s LYS 36 Cb -0.29 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 33.72 1fd4 s LYS 36 CO 0.37 0.55 0.55 0.00 -0.76 0.00 0.00 175.35 176.06 1fd4 s LYS 39 N -0.73 0.47 0.35 0.00 2.20 0.29 -0.71 119.74 121.60 1fd4 s LYS 39 Ca 0.04 0.30 -0.26 0.00 -0.36 0.00 0.00 55.97 55.68 1fd4 s LYS 39 Cb -0.07 0.22 -0.09 0.00 -1.51 0.00 0.00 37.83 36.38 1fd4 s LYS 39 CO 0.00 -0.08 1.08 0.15 -0.36 0.00 0.00 175.35 176.14 1fd4 s LYS 40 N -0.22 4.36 0.00 4.03 1.02 -1.26 -1.35 119.74 126.32 1fd4 s LYS 40 Ca -0.04 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.62 1fd4 s LYS 40 Cb -0.03 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 1fd4 s LYS 40 CO 0.01 0.00 0.24 -2.30 -0.92 0.00 0.00 175.35 172.38