#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 4.90 -0.01 -0.61 1.01 -1.25 -4.92 121.20 120.32 1fd3 s ILE 2 Ca 0.00 1.66 0.18 0.00 0.00 0.00 0.00 60.65 62.49 1fd3 s ILE 2 Cb 0.00 -4.14 0.30 0.00 0.01 0.00 0.00 42.46 38.63 1fd3 s ILE 2 CO 0.00 0.26 1.12 0.61 0.00 0.00 0.00 174.94 176.93 1fd3 n GLY 3 N 2.83 0.98 3.33 6.18 0.00 -1.22 -0.44 105.19 116.85 1fd3 n GLY 3 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.73 -0.31 0.33 1.61 -4.77 -1.20 -2.77 116.67 107.83 1fd3 s ASP 4 Ca 0.24 0.05 0.16 0.00 -3.30 0.00 0.00 52.55 49.69 1fd3 s ASP 4 Cb 0.27 0.43 0.52 0.00 -1.09 0.00 0.00 42.92 43.05 1fd3 s ASP 4 CO -0.11 -0.66 1.66 1.55 0.70 0.00 0.00 175.17 178.31 1fd3 h PRO 5 N 3.01 0.00 -0.02 2.11 0.13 -1.85 -2.84 132.00 132.54 1fd3 h PRO 5 Ca -0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1fd3 h PRO 5 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1fd3 h PRO 5 CO 0.43 0.47 -0.01 0.28 -0.23 0.00 0.00 178.00 178.93 1fd3 h VAL 6 N 0.00 1.37 -0.93 1.56 2.07 -1.98 -2.21 116.25 116.13 1fd3 h VAL 6 Ca -0.00 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.42 1fd3 h VAL 6 Cb 1.01 2.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.83 1fd3 h VAL 6 CO 0.06 0.30 0.60 0.74 0.02 0.00 0.00 177.57 179.29 1fd3 h THR 7 N -0.42 1.14 -0.03 2.57 2.02 -1.99 -0.63 112.91 115.57 1fd3 h THR 7 Ca 0.00 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1fd3 h THR 7 Cb 0.49 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1fd3 h THR 7 CO 0.00 0.21 -0.22 0.00 0.37 0.00 0.00 175.52 175.88 1fd3 h LEU 9 N -0.33 0.86 -2.06 0.00 3.38 -1.11 -2.36 115.31 113.69 1fd3 h LEU 9 Ca 0.07 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1fd3 h LEU 9 Cb 0.43 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1fd3 h LEU 9 CO -0.22 0.93 -0.01 0.11 0.09 0.00 0.00 178.44 179.34 1fd3 h LYS 10 N 0.77 0.00 0.00 1.13 1.57 -0.85 -1.27 116.57 117.92 1fd3 h LYS 10 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1fd3 h LYS 10 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1fd3 h LYS 10 CO 0.02 0.01 0.00 0.43 -0.57 0.00 0.00 179.45 179.33 1fd3 n SER 11 N -4.42 0.00 0.00 0.86 7.64 -0.74 -4.89 113.62 112.07 1fd3 n SER 11 Ca -0.03 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1fd3 n SER 11 Cb 0.09 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1fd3 n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fd3 n GLY 12 N 1.07 0.73 4.02 0.23 0.00 -0.48 -5.08 105.19 105.67 1fd3 n GLY 12 Ca 0.12 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 4.33 0.04 4.61 0.00 -0.92 -4.93 121.76 122.90 1fd3 s ALA 13 Ca 0.00 -1.98 0.04 0.00 0.00 0.00 0.00 51.96 50.02 1fd3 s ALA 13 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 1fd3 s ALA 13 CO 0.00 -1.06 -0.12 0.96 0.00 0.00 0.00 175.76 175.54 1fd3 s ILE 14 N -2.83 0.89 -0.11 0.00 -4.36 -0.15 -4.05 121.20 110.60 1fd3 s ILE 14 Ca 0.63 -1.00 -0.22 0.00 -0.26 0.00 0.00 60.65 59.80 1fd3 s ILE 14 Cb -0.06 -0.85 -0.03 0.00 1.25 0.00 0.00 42.46 42.77 1fd3 s ILE 14 CO 0.41 -0.13 0.66 0.00 0.24 0.00 0.00 174.94 176.12 1fd3 s HIS 16 N 1.10 1.61 0.35 0.00 3.76 -0.16 -4.97 115.29 116.98 1fd3 s HIS 16 Ca 0.34 -0.31 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1fd3 s HIS 16 Cb -0.17 -1.02 0.65 0.00 1.11 0.00 0.00 32.58 33.15 1fd3 s HIS 16 CO 0.15 -0.01 2.00 -1.35 -0.85 0.00 0.00 174.74 174.68 1fd3 h PRO 17 N 5.54 0.78 0.00 8.40 0.10 -1.87 0.27 132.00 145.22 1fd3 h PRO 17 Ca -0.38 -0.06 0.00 0.00 0.10 0.00 0.00 66.00 65.66 1fd3 h PRO 17 Cb 1.15 -0.17 0.00 0.00 0.10 0.00 0.00 31.00 32.08 1fd3 h PRO 17 CO 0.47 0.54 0.00 0.28 0.10 0.00 0.00 178.00 179.39 1fd3 n VAL 18 N -4.43 0.00 -4.23 3.15 0.31 -1.26 -3.55 118.33 108.33 1fd3 n VAL 18 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.22 1fd3 n VAL 18 Cb 0.06 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.86 1fd3 n VAL 18 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1fd3 s PHE 19 N -1.00 0.89 0.57 3.52 0.40 -1.26 -4.82 117.98 116.28 1fd3 s PHE 19 Ca 0.00 -0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 55.82 1fd3 s PHE 19 Cb 0.00 -0.54 -0.05 0.00 0.51 0.00 0.00 43.02 42.95 1fd3 s PHE 19 CO 0.00 -0.01 1.07 0.00 0.70 0.00 0.00 175.22 176.98 1fd3 s PRO 21 N -3.77 0.03 0.31 0.00 0.02 -1.26 -4.92 135.00 125.41 1fd3 s PRO 21 Ca 0.66 1.26 -0.29 0.00 0.02 0.00 0.00 61.00 62.65 1fd3 s PRO 21 Cb -0.17 -1.63 -0.10 0.00 0.02 0.00 0.00 34.50 32.61 1fd3 s PRO 21 CO 0.32 -3.21 1.36 0.50 -0.33 0.00 0.00 177.00 175.64 1fd3 s ARG 22 N -4.53 4.31 0.00 5.54 3.52 -1.26 -2.34 118.95 124.19 1fd3 s ARG 22 Ca 0.68 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.55 1fd3 s ARG 22 Cb -0.24 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1fd3 s ARG 22 CO 0.61 -0.29 0.00 0.54 -0.81 0.00 0.00 175.30 175.35 1fd3 n ARG 23 N 1.30 0.00 -4.20 5.12 1.74 -1.26 -5.03 116.66 114.32 1fd3 n ARG 23 Ca 0.02 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 1fd3 n ARG 23 Cb 0.41 -2.89 -0.09 0.00 -1.02 0.00 0.00 32.46 28.88 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 -2.21 2.98 0.10 -1.55 1.51 -0.99 -4.30 117.35 112.89 1fd3 s TYR 24 Ca 0.00 -0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.13 1fd3 s TYR 24 Cb 0.00 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1fd3 s TYR 24 CO 0.00 0.46 -0.17 0.15 -1.11 0.00 0.00 175.55 174.88 1fd3 s LYS 25 N -2.05 1.90 0.00 -0.62 1.02 0.20 -4.76 119.74 115.43 1fd3 s LYS 25 Ca 0.23 -1.11 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 1fd3 s LYS 25 Cb -0.12 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1fd3 s LYS 25 CO 0.15 0.50 1.18 -1.14 -0.92 0.00 0.00 175.35 175.12 1fd3 s GLN 26 N -1.97 4.41 0.00 1.68 0.74 -1.26 -1.15 119.66 122.10 1fd3 s GLN 26 Ca 0.17 1.69 0.02 0.00 0.05 0.00 0.00 55.36 57.30 1fd3 s GLN 26 Cb -0.11 -3.45 0.03 0.00 1.10 0.00 0.00 33.01 30.58 1fd3 s GLN 26 CO 0.09 -0.32 0.78 0.44 -0.55 0.00 0.00 175.29 175.74 1fd3 n ILE 27 N 4.23 0.46 -3.74 -2.34 -5.35 -0.21 -4.98 119.36 107.44 1fd3 n ILE 27 Ca 0.10 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1fd3 n ILE 27 Cb 0.47 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 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 -0.09 -0.75 3.73 3.28 0.00 -1.19 -3.93 105.19 106.24 1fd3 n GLY 28 Ca 0.02 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.00 1.68 -0.26 2.61 -4.23 0.41 -1.36 115.64 111.49 1fd3 s THR 29 Ca 0.00 -1.89 0.12 0.00 -1.18 0.00 0.00 61.69 58.74 1fd3 s THR 29 Cb 0.00 -2.57 0.59 0.00 1.34 0.00 0.00 72.50 71.85 1fd3 s THR 29 CO 0.00 0.00 1.55 0.00 -0.54 0.00 0.00 174.62 175.63 1fd3 n GLY 31 N -0.61 1.42 3.73 0.00 0.00 -1.11 -3.58 105.19 105.04 1fd3 n GLY 31 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 5.23 -4.63 0.99 4.77 -1.26 -4.84 117.00 117.26 1fd3 n LEU 32 Ca 0.00 0.98 -0.48 0.00 -0.03 0.00 0.00 56.01 56.48 1fd3 n LEU 32 Cb 0.00 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 39.49 1fd3 n LEU 32 CO 0.00 -0.69 0.96 -2.65 -1.33 0.00 0.00 177.39 173.68 1fd3 n PRO 33 N -0.90 1.66 -0.54 3.23 -0.02 -1.26 -2.12 135.00 135.05 1fd3 n PRO 33 Ca 0.10 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1fd3 n PRO 33 Cb 0.44 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.49 0.90 3.80 -1.23 0.00 -1.26 -5.00 105.19 104.89 1fd3 n GLY 34 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.50 3.80 -0.00 2.61 -4.23 -0.90 -4.07 115.64 110.36 1fd3 s THR 35 Ca 0.00 1.05 0.07 0.00 -1.18 0.00 0.00 61.69 61.63 1fd3 s THR 35 Cb 0.00 -3.44 -0.02 0.00 1.34 0.00 0.00 72.50 70.38 1fd3 s THR 35 CO 0.00 -0.32 -0.23 -0.54 -0.54 0.00 0.00 174.62 172.99 1fd3 s LYS 36 N -3.47 1.77 -0.31 3.99 1.02 0.08 -3.73 119.74 119.09 1fd3 s LYS 36 Ca 0.66 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 55.63 1fd3 s LYS 36 Cb -0.16 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 1fd3 s LYS 36 CO 0.25 0.48 0.39 0.00 -0.92 0.00 0.00 175.35 175.54 1fd3 s LYS 39 N 0.24 0.27 0.10 0.00 2.20 -0.30 -0.97 119.74 121.27 1fd3 s LYS 39 Ca -0.09 -0.17 -0.31 0.00 -0.36 0.00 0.00 55.97 55.04 1fd3 s LYS 39 Cb -0.14 0.11 -0.07 0.00 -1.51 0.00 0.00 37.83 36.23 1fd3 s LYS 39 CO 0.04 -0.05 1.26 0.15 -0.36 0.00 0.00 175.35 176.39 1fd3 s LYS 40 N -0.68 4.40 0.00 4.03 1.02 -1.26 -0.63 119.74 126.63 1fd3 s LYS 40 Ca -0.08 1.89 0.21 0.00 0.02 0.00 0.00 55.97 58.01 1fd3 s LYS 40 Cb -0.05 -3.29 1.23 0.00 -0.52 0.00 0.00 37.83 35.20 1fd3 s LYS 40 CO 0.00 -0.29 1.61 -0.35 -0.92 0.00 0.00 175.35 175.41