#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fd3 s ILE 2 N 0.00 1.56 0.00 -0.61 1.01 -1.26 -4.97 121.20 116.93 1fd3 s ILE 2 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1fd3 s ILE 2 Cb 0.00 -1.54 0.10 0.00 0.01 0.00 0.00 42.46 41.03 1fd3 s ILE 2 CO 0.00 0.35 0.98 0.61 0.00 0.00 0.00 174.94 176.88 1fd3 n GLY 3 N 4.75 0.67 3.30 6.18 0.00 -1.21 -1.16 105.19 117.72 1fd3 n GLY 3 Ca -0.16 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1fd3 n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fd3 s ASP 4 N -1.11 -0.20 0.30 1.61 -4.77 -1.18 -2.82 116.67 108.49 1fd3 s ASP 4 Ca 0.08 -0.31 0.11 0.00 -3.30 0.00 0.00 52.55 49.13 1fd3 s ASP 4 Cb 0.09 0.45 0.48 0.00 -1.09 0.00 0.00 42.92 42.85 1fd3 s ASP 4 CO -0.04 -0.81 1.68 -0.65 0.70 0.00 0.00 175.17 176.06 1fd3 h PRO 5 N 2.51 0.02 -0.02 2.11 0.11 -1.84 -2.58 132.00 132.31 1fd3 h PRO 5 Ca -0.34 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1fd3 h PRO 5 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1fd3 h PRO 5 CO 0.47 0.54 -0.02 0.28 -0.21 0.00 0.00 178.00 179.06 1fd3 h VAL 6 N 0.01 1.39 -0.64 3.15 2.07 -1.97 -0.45 116.25 119.81 1fd3 h VAL 6 Ca -0.00 -1.18 0.09 0.00 0.82 0.00 0.00 66.70 66.42 1fd3 h VAL 6 Cb 0.94 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.77 1fd3 h VAL 6 CO 0.07 0.31 0.27 0.74 0.02 0.00 0.00 177.57 178.99 1fd3 h THR 7 N -0.42 0.81 0.54 2.57 2.02 -1.98 -0.82 112.91 115.63 1fd3 h THR 7 Ca 0.00 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1fd3 h THR 7 Cb 0.52 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1fd3 h THR 7 CO 0.01 0.09 -0.26 0.00 0.37 0.00 0.00 175.52 175.73 1fd3 h LEU 9 N -0.79 0.55 -1.23 0.00 3.38 -0.90 -2.49 115.31 113.83 1fd3 h LEU 9 Ca -0.07 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1fd3 h LEU 9 Cb 0.58 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1fd3 h LEU 9 CO 0.12 0.72 0.55 0.50 0.09 0.00 0.00 178.44 180.42 1fd3 h LYS 10 N 0.52 0.90 0.00 1.13 1.63 -1.14 -0.70 116.57 118.91 1fd3 h LYS 10 Ca 0.09 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1fd3 h LYS 10 Cb 0.54 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1fd3 h LYS 10 CO 0.03 0.60 0.00 -1.13 -3.45 0.00 0.00 179.45 175.50 1fd3 n SER 11 N -4.48 0.00 0.00 4.20 3.41 -0.95 -4.89 113.62 110.91 1fd3 n SER 11 Ca 0.12 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1fd3 n SER 11 Cb 0.21 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1fd3 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fd3 n GLY 12 N 0.59 0.73 3.95 5.00 0.00 -0.27 -5.07 105.19 110.12 1fd3 n GLY 12 Ca 0.15 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1fd3 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fd3 s ALA 13 N -2.00 2.87 0.14 4.61 0.00 -1.18 -5.01 121.76 121.19 1fd3 s ALA 13 Ca 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1fd3 s ALA 13 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1fd3 s ALA 13 CO 0.00 -1.88 0.13 0.96 0.00 0.00 0.00 175.76 174.97 1fd3 s ILE 14 N -3.52 4.56 -0.28 0.00 -4.36 -0.43 -4.41 121.20 112.76 1fd3 s ILE 14 Ca 0.68 -0.96 -0.07 0.00 -0.26 0.00 0.00 60.65 60.04 1fd3 s ILE 14 Cb -0.06 -3.29 -0.01 0.00 1.25 0.00 0.00 42.46 40.35 1fd3 s ILE 14 CO 0.49 -0.04 0.09 0.00 0.24 0.00 0.00 174.94 175.72 1fd3 s HIS 16 N 1.56 2.72 -0.38 0.00 2.46 -0.12 -4.96 115.29 116.57 1fd3 s HIS 16 Ca 0.04 -0.50 0.26 0.00 0.47 0.00 0.00 55.06 55.33 1fd3 s HIS 16 Cb -0.16 -1.74 1.03 0.00 -0.13 0.00 0.00 32.58 31.58 1fd3 s HIS 16 CO 0.03 -0.08 1.78 -1.00 -2.47 0.00 0.00 174.74 173.00 1fd3 h PRO 17 N 6.17 0.00 0.00 2.88 0.13 -1.86 0.86 132.00 140.18 1fd3 h PRO 17 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1fd3 h PRO 17 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fd3 h PRO 17 CO 0.52 0.00 -0.26 0.28 -0.23 0.00 0.00 178.00 178.32 1fd3 n VAL 18 N -2.46 0.00 -3.57 1.56 0.31 -1.25 -3.95 118.33 108.97 1fd3 n VAL 18 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 1fd3 n VAL 18 Cb 0.28 -0.53 -0.03 0.00 -0.91 0.00 0.00 33.84 32.64 1fd3 n VAL 18 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1fd3 s PHE 19 N -1.73 -0.32 -0.17 3.52 -0.12 -1.26 -4.90 117.98 113.00 1fd3 s PHE 19 Ca 0.00 0.04 -0.24 0.00 -0.05 0.00 0.00 56.93 56.68 1fd3 s PHE 19 Cb 0.00 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.77 1fd3 s PHE 19 CO 0.00 -0.80 0.75 0.00 -0.05 0.00 0.00 175.22 175.12 1fd3 s PRO 21 N 1.90 0.39 -0.11 0.00 0.05 -1.26 -4.83 135.00 131.14 1fd3 s PRO 21 Ca 0.35 0.14 -0.41 0.00 0.05 0.00 0.00 61.00 61.12 1fd3 s PRO 21 Cb -0.16 -1.77 -0.20 0.00 0.05 0.00 0.00 34.50 32.42 1fd3 s PRO 21 CO 0.12 -2.67 1.20 0.54 0.05 0.00 0.00 177.00 176.24 1fd3 n ARG 22 N -4.07 0.03 0.00 4.56 1.74 -1.26 -1.21 116.66 116.46 1fd3 n ARG 22 Ca 0.09 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1fd3 n ARG 22 Cb 0.59 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1fd3 n ARG 22 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1fd3 n ARG 23 N 2.10 0.00 -3.72 5.56 1.74 -1.26 -5.03 116.66 116.05 1fd3 n ARG 23 Ca 0.22 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.98 1fd3 n ARG 23 Cb 0.05 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.24 1fd3 n ARG 23 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fd3 s TYR 24 N -2.60 3.51 0.12 -1.55 1.51 -0.35 -4.27 117.35 113.73 1fd3 s TYR 24 Ca 0.00 0.53 0.11 0.00 -1.01 0.00 0.00 57.07 56.69 1fd3 s TYR 24 Cb 0.00 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1fd3 s TYR 24 CO 0.00 0.49 -0.27 0.15 -1.11 0.00 0.00 175.55 174.82 1fd3 s LYS 25 N -2.43 1.41 -0.08 -0.62 1.02 -0.03 -4.70 119.74 114.31 1fd3 s LYS 25 Ca 0.37 -1.32 -0.30 0.00 0.02 0.00 0.00 55.97 54.75 1fd3 s LYS 25 Cb -0.13 -1.87 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1fd3 s LYS 25 CO 0.23 0.45 1.12 -1.14 -0.92 0.00 0.00 175.35 175.08 1fd3 s GLN 26 N -1.99 4.38 0.00 1.68 0.74 -1.26 -1.57 119.66 121.64 1fd3 s GLN 26 Ca 0.13 1.55 0.03 0.00 0.05 0.00 0.00 55.36 57.12 1fd3 s GLN 26 Cb -0.10 -3.56 0.04 0.00 1.10 0.00 0.00 33.01 30.49 1fd3 s GLN 26 CO 0.06 -0.40 0.73 0.44 -0.55 0.00 0.00 175.29 175.56 1fd3 n ILE 27 N 4.62 0.29 -3.29 -2.34 -5.35 0.19 -4.98 119.36 108.49 1fd3 n ILE 27 Ca 0.10 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1fd3 n ILE 27 Cb 0.47 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 1fd3 n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fd3 n GLY 28 N 0.04 -0.52 3.53 3.28 0.00 -1.19 -4.57 105.19 105.75 1fd3 n GLY 28 Ca 0.02 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 1fd3 n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd3 s THR 29 N -3.12 1.60 -0.33 2.61 -4.23 -0.31 -1.20 115.64 110.66 1fd3 s THR 29 Ca 0.00 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1fd3 s THR 29 Cb 0.00 -2.88 0.56 0.00 1.34 0.00 0.00 72.50 71.52 1fd3 s THR 29 CO 0.00 -0.01 1.60 0.00 -0.54 0.00 0.00 174.62 175.67 1fd3 n GLY 31 N -1.08 2.01 3.66 0.00 0.00 -1.13 -3.67 105.19 104.99 1fd3 n GLY 31 Ca 0.40 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1fd3 n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fd3 n LEU 32 N 0.00 3.10 -4.67 0.99 4.77 -1.26 -4.84 117.00 115.08 1fd3 n LEU 32 Ca 0.00 1.17 -0.45 0.00 -0.03 0.00 0.00 56.01 56.70 1fd3 n LEU 32 Cb 0.00 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 39.64 1fd3 n LEU 32 CO 0.00 -0.83 1.05 -2.65 -1.33 0.00 0.00 177.39 173.63 1fd3 n PRO 33 N 0.49 2.07 0.00 3.23 -0.02 -1.26 -1.99 135.00 137.52 1fd3 n PRO 33 Ca 0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1fd3 n PRO 33 Cb 0.36 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1fd3 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fd3 n GLY 34 N 2.30 2.39 3.81 -1.23 0.00 -1.26 -5.01 105.19 106.19 1fd3 n GLY 34 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1fd3 n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd3 s THR 35 N -2.80 4.00 -0.07 2.61 -4.23 -0.84 -3.77 115.64 110.54 1fd3 s THR 35 Ca 0.00 1.22 0.04 0.00 -1.18 0.00 0.00 61.69 61.77 1fd3 s THR 35 Cb 0.00 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1fd3 s THR 35 CO 0.00 -0.29 -0.18 -0.54 -0.54 0.00 0.00 174.62 173.07 1fd3 s LYS 36 N -3.28 2.28 -0.29 3.99 -0.14 0.30 -4.04 119.74 118.56 1fd3 s LYS 36 Ca 0.65 -0.66 -0.21 0.00 -1.36 0.00 0.00 55.97 54.39 1fd3 s LYS 36 Cb -0.14 -1.82 -0.01 0.00 -1.68 0.00 0.00 37.83 34.19 1fd3 s LYS 36 CO 0.19 0.14 0.69 0.00 -0.76 0.00 0.00 175.35 175.61 1fd3 s LYS 39 N -0.49 0.46 0.22 0.00 2.20 -0.61 -1.31 119.74 120.22 1fd3 s LYS 39 Ca 0.07 0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.45 1fd3 s LYS 39 Cb -0.07 0.21 -0.09 0.00 -1.51 0.00 0.00 37.83 36.37 1fd3 s LYS 39 CO -0.01 -0.10 1.14 0.15 -0.36 0.00 0.00 175.35 176.18 1fd3 s LYS 40 N -0.59 4.57 0.00 4.03 1.02 -1.26 -0.85 119.74 126.66 1fd3 s LYS 40 Ca -0.07 1.82 0.00 0.00 0.02 0.00 0.00 55.97 57.74 1fd3 s LYS 40 Cb -0.04 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1fd3 s LYS 40 CO 0.02 0.06 0.27 -2.30 -0.92 0.00 0.00 175.35 172.47