#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 4.62 -0.01 -0.61 1.01 -1.24 -4.88 121.20 120.08 1fd4 s ILE 2 Ca 0.00 1.90 0.02 0.00 0.00 0.00 0.00 60.65 62.57 1fd4 s ILE 2 Cb 0.00 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.27 1fd4 s ILE 2 CO 0.00 -0.02 0.78 0.61 0.00 0.00 0.00 174.94 176.31 1fd4 n GLY 3 N 3.20 -0.16 3.14 6.18 0.00 -1.25 -0.05 105.19 116.26 1fd4 n GLY 3 Ca 0.10 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.71 0.06 0.23 1.61 -4.77 -1.24 -3.16 116.67 108.69 1fd4 s ASP 4 Ca 0.03 -0.34 -0.05 0.00 -3.30 0.00 0.00 52.55 48.89 1fd4 s ASP 4 Cb 0.03 0.25 0.23 0.00 -1.09 0.00 0.00 42.92 42.33 1fd4 s ASP 4 CO 0.00 -0.48 1.72 -0.65 0.70 0.00 0.00 175.17 176.46 1fd4 h PRO 5 N 3.79 0.91 -0.42 2.11 0.11 -1.82 -2.57 132.00 134.10 1fd4 h PRO 5 Ca -0.32 -0.26 -0.08 0.00 0.11 0.00 0.00 66.00 65.45 1fd4 h PRO 5 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1fd4 h PRO 5 CO 0.46 0.90 -0.05 0.28 -0.21 0.00 0.00 178.00 179.38 1fd4 h VAL 6 N 0.84 1.27 -0.86 3.15 2.07 -1.97 -1.43 116.25 119.32 1fd4 h VAL 6 Ca 0.16 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1fd4 h VAL 6 Cb 0.49 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1fd4 h VAL 6 CO 0.02 0.38 0.50 0.74 0.02 0.00 0.00 177.57 179.23 1fd4 h THR 7 N 0.61 1.25 0.34 2.57 2.02 -1.97 0.42 112.91 118.15 1fd4 h THR 7 Ca 0.11 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1fd4 h THR 7 Cb 0.56 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1fd4 h THR 7 CO 0.03 0.27 -0.20 0.00 0.37 0.00 0.00 175.52 175.98 1fd4 h LEU 9 N -0.52 1.05 -1.35 0.00 3.38 -1.12 -2.19 115.31 114.57 1fd4 h LEU 9 Ca -0.04 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1fd4 h LEU 9 Cb 0.42 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1fd4 h LEU 9 CO 0.04 0.89 0.50 0.11 0.09 0.00 0.00 178.44 180.06 1fd4 h LYS 10 N 1.14 0.76 0.00 1.13 1.57 -0.78 -0.61 116.57 119.77 1fd4 h LYS 10 Ca 0.28 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1fd4 h LYS 10 Cb 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1fd4 h LYS 10 CO -0.04 0.50 0.00 -1.13 -0.57 0.00 0.00 179.45 178.21 1fd4 n SER 11 N -4.49 0.22 0.00 0.86 3.41 -0.78 -4.88 113.62 107.96 1fd4 n SER 11 Ca 0.11 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1fd4 n SER 11 Cb 0.24 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 0.93 0.83 3.97 5.00 0.00 -0.24 -5.08 105.19 110.60 1fd4 n GLY 12 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.10 3.34 -0.04 4.61 0.00 -0.86 -4.77 121.76 121.95 1fd4 s ALA 13 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.49 1fd4 s ALA 13 Cb 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 1fd4 s ALA 13 CO 0.00 -1.63 -0.18 0.42 0.00 0.00 0.00 175.76 174.37 1fd4 s ILE 14 N -3.30 1.50 -0.19 0.00 1.01 -0.13 -4.10 121.20 115.99 1fd4 s ILE 14 Ca 0.67 -0.78 -0.21 0.00 0.00 0.00 0.00 60.65 60.33 1fd4 s ILE 14 Cb -0.06 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 1fd4 s ILE 14 CO 0.46 0.43 0.64 0.00 0.00 0.00 0.00 174.94 176.47 1fd4 s HIS 16 N 1.84 2.85 0.16 0.00 3.76 0.50 -4.96 115.29 119.45 1fd4 s HIS 16 Ca 0.29 -0.10 0.13 0.00 -0.15 0.00 0.00 55.06 55.23 1fd4 s HIS 16 Cb -0.16 -1.47 0.29 0.00 1.11 0.00 0.00 32.58 32.35 1fd4 s HIS 16 CO 0.11 0.46 1.56 -1.00 -0.85 0.00 0.00 174.74 175.01 1fd4 h PRO 17 N 3.49 0.00 0.00 8.40 0.13 -1.88 0.13 132.00 142.27 1fd4 h PRO 17 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1fd4 h PRO 17 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1fd4 h PRO 17 CO 0.56 0.62 -0.25 0.28 -0.23 0.00 0.00 178.00 178.97 1fd4 n VAL 18 N -3.57 0.09 -4.36 1.56 0.31 -1.26 -3.63 118.33 107.47 1fd4 n VAL 18 Ca -0.00 0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.16 1fd4 n VAL 18 Cb 0.67 -0.83 -0.13 0.00 -0.91 0.00 0.00 33.84 32.63 1fd4 n VAL 18 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1fd4 s PHE 19 N -2.00 1.15 0.38 3.52 0.40 -1.26 -4.80 117.98 115.36 1fd4 s PHE 19 Ca 0.00 -0.33 -0.26 0.00 -0.60 0.00 0.00 56.93 55.74 1fd4 s PHE 19 Cb 0.00 -0.69 -0.09 0.00 0.51 0.00 0.00 43.02 42.75 1fd4 s PHE 19 CO 0.00 0.02 1.20 0.00 0.70 0.00 0.00 175.22 177.14 1fd4 n PRO 21 N 0.27 0.04 -2.25 0.00 -0.02 -1.26 -4.92 135.00 126.86 1fd4 n PRO 21 Ca 0.03 0.09 -0.39 0.00 -2.02 0.00 0.00 63.50 61.21 1fd4 n PRO 21 Cb 0.45 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1fd4 n PRO 21 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1fd4 s ARG 22 N -4.23 4.21 0.00 -0.52 3.52 -1.26 -2.22 118.95 118.45 1fd4 s ARG 22 Ca 0.72 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 1fd4 s ARG 22 Cb -0.28 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1fd4 s ARG 22 CO 0.52 -0.23 0.00 0.54 -0.81 0.00 0.00 175.30 175.33 1fd4 n ARG 23 N 0.43 0.00 -2.53 5.12 1.74 -1.26 -5.03 116.66 115.13 1fd4 n ARG 23 Ca 0.02 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.72 1fd4 n ARG 23 Cb 0.45 -0.27 -0.04 0.00 -1.02 0.00 0.00 32.46 31.57 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 -2.08 3.44 -0.15 -1.55 4.12 -0.94 -4.38 117.35 115.81 1fd4 s TYR 24 Ca 0.00 1.69 -0.13 0.00 0.02 0.00 0.00 57.07 58.65 1fd4 s TYR 24 Cb 0.00 -3.18 -0.05 0.00 -1.52 0.00 0.00 41.96 37.22 1fd4 s TYR 24 CO 0.00 -0.52 0.26 0.21 0.02 0.00 0.00 175.55 175.53 1fd4 s LYS 25 N -2.00 4.16 -0.15 -0.62 2.20 -0.83 -4.82 119.74 117.67 1fd4 s LYS 25 Ca 0.51 0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.88 1fd4 s LYS 25 Cb -0.26 -3.39 -0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1fd4 s LYS 25 CO 0.33 0.32 1.03 -1.14 -0.36 0.00 0.00 175.35 175.53 1fd4 s GLN 26 N 0.23 4.36 -0.05 4.03 0.74 -1.26 0.15 119.66 127.85 1fd4 s GLN 26 Ca 0.16 1.39 0.11 0.00 0.05 0.00 0.00 55.36 57.07 1fd4 s GLN 26 Cb -0.13 -3.58 0.30 0.00 1.10 0.00 0.00 33.01 30.70 1fd4 s GLN 26 CO 0.04 -0.43 1.24 0.44 -0.55 0.00 0.00 175.29 176.02 1fd4 n ILE 27 N 4.83 1.34 -1.75 -2.34 -5.35 -0.14 -4.95 119.36 111.00 1fd4 n ILE 27 Ca 0.10 -1.28 0.00 0.00 -0.27 0.00 0.00 62.75 61.30 1fd4 n ILE 27 Cb 0.48 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 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 -0.03 0.18 3.82 3.28 0.00 -1.20 -3.68 105.19 107.57 1fd4 n GLY 28 Ca 0.12 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.17 1.21 -0.27 2.61 -4.23 0.93 -0.47 115.64 112.25 1fd4 s THR 29 Ca 0.00 -1.85 0.11 0.00 -1.18 0.00 0.00 61.69 58.77 1fd4 s THR 29 Cb 0.00 -2.06 0.47 0.00 1.34 0.00 0.00 72.50 72.25 1fd4 s THR 29 CO 0.00 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.26 1fd4 n GLY 31 N -0.70 0.81 3.72 0.00 0.00 -1.19 -3.72 105.19 104.11 1fd4 n GLY 31 Ca 0.34 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 1fd4 n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fd4 n LEU 32 N 0.00 4.69 -4.57 0.99 4.77 -1.26 -4.88 117.00 116.73 1fd4 n LEU 32 Ca 0.00 1.04 -0.46 0.00 -0.03 0.00 0.00 56.01 56.56 1fd4 n LEU 32 Cb 0.00 -1.53 -0.02 0.00 -2.33 0.00 0.00 43.42 39.54 1fd4 n LEU 32 CO 0.00 -0.66 0.56 -2.65 -1.33 0.00 0.00 177.39 173.32 1fd4 n PRO 33 N -0.45 1.23 0.00 3.23 -0.02 -1.26 -2.22 135.00 135.51 1fd4 n PRO 33 Ca 0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1fd4 n PRO 33 Cb 0.42 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.44 3.10 3.78 -1.23 0.00 -1.26 -5.03 105.19 105.99 1fd4 n GLY 34 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.09 3.39 -0.02 2.61 -4.23 -0.94 -4.04 115.64 110.30 1fd4 s THR 35 Ca 0.00 0.83 0.04 0.00 -1.18 0.00 0.00 61.69 61.38 1fd4 s THR 35 Cb 0.00 -3.33 -0.01 0.00 1.34 0.00 0.00 72.50 70.51 1fd4 s THR 35 CO 0.00 -0.22 -0.15 -0.54 -0.54 0.00 0.00 174.62 173.17 1fd4 s LYS 36 N -3.38 1.37 -0.32 3.99 -0.14 0.03 -3.57 119.74 117.72 1fd4 s LYS 36 Ca 0.70 -0.53 -0.15 0.00 -1.36 0.00 0.00 55.97 54.63 1fd4 s LYS 36 Cb -0.21 -1.27 -0.02 0.00 -1.68 0.00 0.00 37.83 34.65 1fd4 s LYS 36 CO 0.27 0.27 0.36 0.00 -0.76 0.00 0.00 175.35 175.49 1fd4 s LYS 39 N 0.97 4.23 0.72 0.00 2.20 0.12 -0.96 119.74 127.02 1fd4 s LYS 39 Ca -0.04 0.27 -0.11 0.00 -0.36 0.00 0.00 55.97 55.72 1fd4 s LYS 39 Cb -0.15 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1fd4 s LYS 39 CO -0.04 0.04 1.07 -1.59 -0.36 0.00 0.00 175.35 174.47 1fd4 s LYS 40 N 1.05 2.72 0.00 4.03 -2.85 -1.26 -1.97 119.74 121.45 1fd4 s LYS 40 Ca 0.21 1.05 0.05 0.00 -1.00 0.00 0.00 55.97 56.28 1fd4 s LYS 40 Cb -0.15 -1.96 0.29 0.00 -2.06 0.00 0.00 37.83 33.95 1fd4 s LYS 40 CO 0.08 -1.28 0.76 -2.30 0.10 0.00 0.00 175.35 172.71