#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 5.07 0.00 -0.61 1.01 -1.26 -4.91 121.20 120.50 1fd4 s ILE 2 Ca 0.00 1.06 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1fd4 s ILE 2 Cb 0.00 -3.89 0.10 0.00 0.01 0.00 0.00 42.46 38.68 1fd4 s ILE 2 CO 0.00 0.14 0.97 0.61 0.00 0.00 0.00 174.94 176.66 1fd4 n GLY 3 N 3.86 0.69 3.34 6.18 0.00 -1.21 -0.65 105.19 117.40 1fd4 n GLY 3 Ca -0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.09 -0.30 0.25 1.61 -4.77 -1.19 -2.69 116.67 108.48 1fd4 s ASP 4 Ca 0.08 -0.09 -0.01 0.00 -3.30 0.00 0.00 52.55 49.23 1fd4 s ASP 4 Cb 0.09 0.46 0.31 0.00 -1.09 0.00 0.00 42.92 42.70 1fd4 s ASP 4 CO -0.04 -0.76 1.70 -0.65 0.70 0.00 0.00 175.17 176.13 1fd4 h PRO 5 N 2.69 0.67 -0.32 2.11 0.11 -1.83 -2.57 132.00 132.85 1fd4 h PRO 5 Ca -0.32 -0.23 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 1fd4 h PRO 5 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1fd4 h PRO 5 CO 0.44 0.80 -0.05 0.28 -0.21 0.00 0.00 178.00 179.26 1fd4 h VAL 6 N 0.60 1.27 -0.75 3.15 2.07 -1.98 -1.06 116.25 119.56 1fd4 h VAL 6 Ca 0.10 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1fd4 h VAL 6 Cb 0.62 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1fd4 h VAL 6 CO 0.04 0.35 0.42 0.74 0.02 0.00 0.00 177.57 179.14 1fd4 h THR 7 N 0.39 1.22 0.24 2.57 2.02 -1.97 0.17 112.91 117.55 1fd4 h THR 7 Ca 0.08 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1fd4 h THR 7 Cb 0.53 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1fd4 h THR 7 CO 0.03 0.24 -0.12 0.00 0.37 0.00 0.00 175.52 176.05 1fd4 h LEU 9 N -0.34 0.35 -1.91 0.00 3.38 -0.82 -2.36 115.31 113.61 1fd4 h LEU 9 Ca -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1fd4 h LEU 9 Cb 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1fd4 h LEU 9 CO 0.05 0.81 -0.04 0.11 0.09 0.00 0.00 178.44 179.46 1fd4 h LYS 10 N 0.25 0.01 0.00 1.13 1.57 -0.52 -1.27 116.57 117.74 1fd4 h LYS 10 Ca 0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1fd4 h LYS 10 Cb 1.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1fd4 h LYS 10 CO 0.08 0.05 0.00 -1.13 -0.57 0.00 0.00 179.45 177.89 1fd4 n SER 11 N -4.49 0.00 0.00 0.86 3.41 -0.91 -4.88 113.62 107.61 1fd4 n SER 11 Ca -0.03 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1fd4 n SER 11 Cb 0.13 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.94 0.67 3.99 5.00 0.00 -0.48 -5.08 105.19 110.24 1fd4 n GLY 12 Ca 0.16 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.48 0.18 4.61 0.00 -1.06 -4.97 121.76 122.01 1fd4 s ALA 13 Ca 0.00 -1.71 0.08 0.00 0.00 0.00 0.00 51.96 50.33 1fd4 s ALA 13 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 1fd4 s ALA 13 CO 0.00 -1.67 -0.05 0.96 0.00 0.00 0.00 175.76 174.99 1fd4 s ILE 14 N -3.28 3.41 -0.28 0.00 -4.36 -0.05 -4.38 121.20 112.26 1fd4 s ILE 14 Ca 0.68 -1.59 -0.09 0.00 -0.26 0.00 0.00 60.65 59.39 1fd4 s ILE 14 Cb -0.04 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.93 1fd4 s ILE 14 CO 0.46 -0.13 0.13 0.00 0.24 0.00 0.00 174.94 175.65 1fd4 s HIS 16 N 1.66 1.49 0.43 0.00 5.04 -0.20 -4.95 115.29 118.77 1fd4 s HIS 16 Ca 0.06 -0.63 -0.25 0.00 -1.54 0.00 0.00 55.06 52.70 1fd4 s HIS 16 Cb -0.16 -1.14 -0.08 0.00 0.04 0.00 0.00 32.58 31.24 1fd4 s HIS 16 CO 0.07 -0.37 1.25 -2.14 -2.34 0.00 0.00 174.74 171.20 1fd4 s PRO 17 N 1.04 3.86 0.00 2.88 0.02 -1.26 -0.33 135.00 141.21 1fd4 s PRO 17 Ca -0.07 2.01 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1fd4 s PRO 17 Cb -0.15 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.76 1fd4 s PRO 17 CO -0.01 -0.53 0.00 0.28 -0.33 0.00 0.00 177.00 176.41 1fd4 n VAL 18 N -0.13 0.00 -3.99 3.83 0.31 -0.06 -4.80 118.33 113.48 1fd4 n VAL 18 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.29 1fd4 n VAL 18 Cb 0.45 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.33 -0.26 3.52 -0.12 -1.26 -4.93 117.98 115.26 1fd4 s PHE 19 Ca 0.00 -0.70 -0.10 0.00 -0.05 0.00 0.00 56.93 56.09 1fd4 s PHE 19 Cb 0.00 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1fd4 s PHE 19 CO 0.00 -1.01 0.14 0.00 -0.05 0.00 0.00 175.22 174.31 1fd4 s PRO 21 N 1.52 0.60 0.06 0.00 0.04 -1.26 -4.80 135.00 131.16 1fd4 s PRO 21 Ca 0.07 0.78 -0.37 0.00 0.04 0.00 0.00 61.00 61.51 1fd4 s PRO 21 Cb -0.15 -1.74 -0.19 0.00 0.04 0.00 0.00 34.50 32.46 1fd4 s PRO 21 CO 0.07 -2.68 1.01 -2.13 0.04 0.00 0.00 177.00 173.31 1fd4 n ARG 22 N -4.18 0.22 0.00 4.56 0.63 -1.26 -0.61 116.66 116.02 1fd4 n ARG 22 Ca 0.06 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1fd4 n ARG 22 Cb 0.55 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1fd4 n ARG 22 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1fd4 n ARG 23 N 1.54 0.00 -3.21 -0.14 1.74 -1.26 -5.01 116.66 110.32 1fd4 n ARG 23 Ca 0.19 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.90 1fd4 n ARG 23 Cb 0.14 -0.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.91 1fd4 n ARG 23 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fd4 s TYR 24 N -1.11 3.71 0.07 -1.55 1.51 0.22 -4.26 117.35 115.94 1fd4 s TYR 24 Ca 0.00 1.29 0.08 0.00 -1.01 0.00 0.00 57.07 57.43 1fd4 s TYR 24 Cb 0.00 -2.53 -0.03 0.00 -0.11 0.00 0.00 41.96 39.29 1fd4 s TYR 24 CO 0.00 0.46 -0.19 0.15 -1.11 0.00 0.00 175.55 174.85 1fd4 s LYS 25 N -1.62 1.91 0.12 -0.62 1.02 -0.48 -4.62 119.74 115.45 1fd4 s LYS 25 Ca 0.37 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 1fd4 s LYS 25 Cb -0.18 -2.13 -0.07 0.00 -0.52 0.00 0.00 37.83 34.94 1fd4 s LYS 25 CO 0.20 0.51 1.18 -1.14 -0.92 0.00 0.00 175.35 175.19 1fd4 s GLN 26 N -1.69 4.48 0.00 1.68 0.74 -1.26 -0.91 119.66 122.70 1fd4 s GLN 26 Ca 0.15 1.79 0.00 0.00 0.05 0.00 0.00 55.36 57.36 1fd4 s GLN 26 Cb -0.10 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1fd4 s GLN 26 CO 0.07 -0.15 0.48 0.44 -0.55 0.00 0.00 175.29 175.58 1fd4 n ILE 27 N 3.23 0.16 -3.17 -2.34 -5.35 0.28 -4.94 119.36 107.22 1fd4 n ILE 27 Ca 0.06 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1fd4 n ILE 27 Cb 0.46 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.08 -0.52 3.53 3.28 0.00 -1.15 -4.45 105.19 105.80 1fd4 n GLY 28 Ca 0.00 -0.93 -0.25 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 -3.15 1.56 -0.30 2.61 -4.23 0.18 -1.00 115.64 111.30 1fd4 s THR 29 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1fd4 s THR 29 Cb 0.00 -2.88 0.57 0.00 1.34 0.00 0.00 72.50 71.52 1fd4 s THR 29 CO 0.00 0.00 1.58 0.00 -0.54 0.00 0.00 174.62 175.66 1fd4 n GLY 31 N -0.92 1.70 3.77 0.00 0.00 -1.10 -3.36 105.19 105.28 1fd4 n GLY 31 Ca 0.37 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 3.83 0.17 0.99 1.43 -1.26 -4.89 118.68 118.94 1fd4 s LEU 32 Ca 0.00 2.22 -0.34 0.00 -1.03 0.00 0.00 54.13 54.98 1fd4 s LEU 32 Cb 0.00 -4.47 -0.15 0.00 0.03 0.00 0.00 46.19 41.60 1fd4 s LEU 32 CO 0.00 -1.12 1.39 -2.65 0.23 0.00 0.00 176.35 174.19 1fd4 n PRO 33 N -1.04 1.66 -0.62 1.29 -0.02 -1.26 -1.50 135.00 133.50 1fd4 n PRO 33 Ca 0.10 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1fd4 n PRO 33 Cb 0.50 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.56 0.23 3.74 -1.23 0.00 -1.26 -4.87 105.19 104.36 1fd4 n GLY 34 Ca 0.15 0.00 -0.41 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 -1.70 3.55 -0.09 2.61 -4.23 -0.56 -0.89 115.64 114.34 1fd4 s THR 35 Ca 0.00 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 1fd4 s THR 35 Cb 0.00 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1fd4 s THR 35 CO 0.00 0.23 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.68 1fd4 s LYS 36 N -0.43 2.97 -0.22 3.99 -0.14 0.55 -2.89 119.74 123.57 1fd4 s LYS 36 Ca 0.52 -0.59 -0.20 0.00 -1.36 0.00 0.00 55.97 54.33 1fd4 s LYS 36 Cb -0.33 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 33.18 1fd4 s LYS 36 CO 0.38 0.51 0.60 0.00 -0.76 0.00 0.00 175.35 176.08 1fd4 s LYS 39 N -0.04 0.45 0.15 0.00 2.20 -0.08 -0.87 119.74 121.54 1fd4 s LYS 39 Ca 0.01 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 1fd4 s LYS 39 Cb -0.06 0.21 -0.07 0.00 -1.51 0.00 0.00 37.83 36.40 1fd4 s LYS 39 CO -0.00 -0.08 1.21 0.15 -0.36 0.00 0.00 175.35 176.27 1fd4 s LYS 40 N -0.21 4.46 0.00 4.03 1.02 -1.26 -1.38 119.74 126.41 1fd4 s LYS 40 Ca -0.03 1.86 0.21 0.00 0.02 0.00 0.00 55.97 58.03 1fd4 s LYS 40 Cb -0.03 -3.27 1.25 0.00 -0.52 0.00 0.00 37.83 35.26 1fd4 s LYS 40 CO 0.01 -0.16 1.63 -2.30 -0.92 0.00 0.00 175.35 173.62