#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dd4 h THR 2 N 0.00 1.07 -0.38 2.03 2.02 -2.05 -0.70 112.91 114.90 1dd4 h THR 2 Ca 0.00 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 1dd4 h THR 2 Cb 0.00 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.31 1dd4 h THR 2 CO 0.00 0.19 -0.22 0.16 0.37 0.00 0.00 175.52 176.02 1dd4 h ILE 3 N 1.06 1.27 -0.36 3.11 3.07 -2.05 0.12 117.51 123.73 1dd4 h ILE 3 Ca 0.40 -1.33 -0.01 0.00 1.55 0.00 0.00 64.86 65.48 1dd4 h ILE 3 Cb 0.19 1.22 -0.02 0.00 -0.27 0.00 0.00 36.82 37.95 1dd4 h ILE 3 CO -0.15 0.44 0.20 0.44 -1.05 0.00 0.00 178.15 178.03 1dd4 h ASP 4 N 0.65 0.45 -0.66 2.16 3.32 -1.76 0.36 116.42 120.94 1dd4 h ASP 4 Ca 0.09 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.13 1dd4 h ASP 4 Cb 0.72 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1dd4 h ASP 4 CO 0.06 0.40 0.43 -0.08 -1.72 0.00 0.00 179.24 178.33 1dd4 h GLU 5 N 0.46 0.60 0.00 3.56 4.57 -0.60 0.96 114.58 124.13 1dd4 h GLU 5 Ca 0.13 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 58.10 1dd4 h GLU 5 Cb 0.05 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1dd4 h GLU 5 CO -0.02 0.40 -0.86 0.82 -1.18 0.00 0.00 179.01 178.17 1dd4 h ILE 6 N 0.62 1.38 -0.21 2.32 2.04 0.52 -3.05 117.51 121.11 1dd4 h ILE 6 Ca 0.29 -2.96 -0.17 0.00 1.00 0.00 0.00 64.86 63.01 1dd4 h ILE 6 Cb 0.34 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1dd4 h ILE 6 CO -0.09 0.78 -0.54 0.40 0.00 0.00 0.00 178.15 178.70 1dd4 h ILE 7 N 0.00 1.30 -0.39 -0.67 2.04 0.12 -2.39 117.51 117.52 1dd4 h ILE 7 Ca -0.02 -1.75 -0.02 0.00 1.00 0.00 0.00 64.86 64.07 1dd4 h ILE 7 Cb 1.64 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.54 1dd4 h ILE 7 CO 0.10 0.56 0.16 -0.33 0.00 0.00 0.00 178.15 178.64 1dd4 h GLU 8 N 0.47 0.54 0.01 2.37 5.08 -0.92 0.94 114.58 123.07 1dd4 h GLU 8 Ca -0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1dd4 h GLU 8 Cb 1.16 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1dd4 h GLU 8 CO 0.12 0.44 -0.01 0.00 -1.00 0.00 0.00 179.01 178.56 1dd4 h ALA 9 N 1.64 -0.02 -0.65 3.43 0.00 -1.41 -3.20 119.26 119.05 1dd4 h ALA 9 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1dd4 h ALA 9 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1dd4 h ALA 9 CO -0.02 -0.27 0.37 0.82 0.00 0.00 0.00 179.25 180.15 1dd4 h ILE 10 N -0.49 1.19 0.00 0.00 2.04 -1.18 -2.55 117.51 116.53 1dd4 h ILE 10 Ca -0.00 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1dd4 h ILE 10 Cb 0.47 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1dd4 h ILE 10 CO 0.00 0.21 0.00 -0.62 0.00 0.00 0.00 178.15 177.74 1dd4 n GLU 11 N -4.38 0.11 -0.79 2.37 1.02 0.30 -2.67 120.64 116.60 1dd4 n GLU 11 Ca 0.06 0.60 0.06 0.00 -0.02 0.00 0.00 57.16 57.86 1dd4 n GLU 11 Cb 0.09 -1.86 0.15 0.00 -0.02 0.00 0.00 31.44 29.80 1dd4 n GLU 11 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1dd4 n LYS 12 N -2.09 1.09 -0.22 3.49 2.85 -0.96 -4.81 118.16 117.52 1dd4 n LYS 12 Ca -0.01 -2.83 0.05 0.00 -1.05 0.00 0.00 58.31 54.47 1dd4 n LYS 12 Cb 0.04 -1.15 0.15 0.00 -0.65 0.00 0.00 35.03 33.42 1dd4 n LYS 12 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1dd4 n LEU 13 N -0.68 2.04 -1.60 -5.58 4.77 -1.09 -5.05 117.00 109.82 1dd4 n LEU 13 Ca 0.15 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1dd4 n LEU 13 Cb 0.81 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1dd4 n LEU 13 CO -0.03 0.44 -0.46 0.35 -1.33 0.00 0.00 177.39 176.35 1dd4 n THR 14 N 0.42 -3.31 -0.31 -5.08 -2.24 -1.26 -3.79 114.28 98.71 1dd4 n THR 14 Ca 0.11 1.61 0.10 0.00 -2.27 0.00 0.00 64.05 63.60 1dd4 n THR 14 Cb 0.36 -2.53 0.27 0.00 -2.10 0.00 0.00 70.33 66.33 1dd4 n THR 14 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1dd4 h VAL 15 N 0.51 0.68 -2.49 2.28 2.07 -1.98 -3.18 116.25 114.14 1dd4 h VAL 15 Ca 0.00 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.12 1dd4 h VAL 15 Cb 0.71 -0.01 0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1dd4 h VAL 15 CO 0.00 0.12 0.10 -1.20 0.02 0.00 0.00 177.57 176.60 1dd4 n SER 16 N -4.86 -0.99 0.00 0.57 7.64 -1.26 -2.11 113.62 112.60 1dd4 n SER 16 Ca 0.20 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1dd4 n SER 16 Cb 0.51 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1dd4 n SER 16 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1dd4 n GLU 17 N -2.75 0.00 -0.05 1.43 1.02 -1.26 -3.96 120.64 115.07 1dd4 n GLU 17 Ca 0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 1dd4 n GLU 17 Cb 0.26 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.61 1dd4 n GLU 17 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dd4 h LEU 18 N 0.00 0.46 -1.39 -4.62 7.12 -1.53 1.34 115.31 116.69 1dd4 h LEU 18 Ca 0.00 -0.52 0.04 0.00 0.13 0.00 0.00 57.88 57.53 1dd4 h LEU 18 Cb 0.00 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 39.96 1dd4 h LEU 18 CO 0.00 0.89 0.44 0.00 -0.13 0.00 0.00 178.44 179.64 1dd4 h ALA 19 N 0.58 1.65 0.57 1.25 0.00 -1.55 0.25 119.26 122.01 1dd4 h ALA 19 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1dd4 h ALA 19 Cb 0.79 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1dd4 h ALA 19 CO 0.05 0.28 -0.27 1.49 0.00 0.00 0.00 179.25 180.80 1dd4 h GLU 20 N 0.78 -0.74 -0.68 0.00 4.57 -1.64 -1.88 114.58 115.00 1dd4 h GLU 20 Ca 0.27 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.64 1dd4 h GLU 20 Cb 0.10 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 28.76 1dd4 h GLU 20 CO -0.08 -0.43 0.15 1.25 -1.18 0.00 0.00 179.01 178.73 1dd4 h LEU 21 N -1.04 0.00 0.31 1.64 5.85 0.22 0.19 115.31 122.48 1dd4 h LEU 21 Ca -0.08 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1dd4 h LEU 21 Cb 0.65 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1dd4 h LEU 21 CO 0.13 -0.02 -0.38 0.58 -0.34 0.00 0.00 178.44 178.41 1dd4 h VAL 22 N 0.27 0.23 -1.00 1.05 2.07 -0.45 -0.20 116.25 118.21 1dd4 h VAL 22 Ca 0.37 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.90 1dd4 h VAL 22 Cb 0.60 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1dd4 h VAL 22 CO -0.47 0.00 0.66 0.11 0.02 0.00 0.00 177.57 177.90 1dd4 h LYS 23 N -0.73 1.31 -0.26 1.57 6.56 -0.82 0.71 116.57 124.91 1dd4 h LYS 23 Ca -0.01 -0.08 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1dd4 h LYS 23 Cb 0.68 -0.30 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1dd4 h LYS 23 CO -0.11 0.87 0.15 0.87 -2.06 0.00 0.00 179.45 179.17 1dd4 h LYS 24 N 1.35 0.35 -0.64 3.15 1.57 -0.68 0.18 116.57 121.85 1dd4 h LYS 24 Ca 0.37 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1dd4 h LYS 24 Cb -0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1dd4 h LYS 24 CO -0.08 0.29 0.37 -0.07 -0.57 0.00 0.00 179.45 179.39 1dd4 h LEU 25 N 0.31 0.78 -1.11 2.94 3.38 -0.48 -1.46 115.31 119.67 1dd4 h LEU 25 Ca 0.09 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1dd4 h LEU 25 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1dd4 h LEU 25 CO -0.02 0.63 -0.39 -0.33 0.09 0.00 0.00 178.44 178.42 1dd4 h GLU 26 N 0.87 0.10 -0.08 1.13 5.08 -0.57 -2.89 114.58 118.22 1dd4 h GLU 26 Ca 0.23 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1dd4 h GLU 26 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1dd4 h GLU 26 CO -0.04 0.48 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.66 1dd4 h ASP 27 N 0.08 0.44 -0.88 1.42 3.45 -0.27 1.04 116.42 121.70 1dd4 h ASP 27 Ca 0.01 -0.64 0.13 0.00 0.43 0.00 0.00 57.03 56.95 1dd4 h ASP 27 Cb 0.73 -0.13 -0.09 0.00 -0.56 0.00 0.00 39.33 39.29 1dd4 h ASP 27 CO 0.05 1.01 0.50 0.11 -1.57 0.00 0.00 179.24 179.35 1dd4 h LYS 28 N -0.10 0.74 -0.43 3.56 1.79 -1.17 -2.97 116.57 117.98 1dd4 h LYS 28 Ca -0.02 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.27 1dd4 h LYS 28 Cb 1.00 -0.17 -0.08 0.00 -1.58 0.00 0.00 32.23 31.40 1dd4 h LYS 28 CO 0.07 0.49 0.07 1.19 -1.08 0.00 0.00 179.45 180.19 1dd4 n PHE 29 N -4.77 1.42 -0.54 -1.35 3.01 -1.10 -4.97 117.46 109.16 1dd4 n PHE 29 Ca 0.17 -1.26 0.00 0.00 1.01 0.00 0.00 57.45 57.37 1dd4 n PHE 29 Cb 0.38 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 1dd4 n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dd4 n GLY 30 N -0.70 0.10 3.58 1.37 0.00 -1.03 -4.98 105.19 103.53 1dd4 n GLY 30 Ca 0.32 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1dd4 n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1dd4 n VAL 31 N -0.16 0.21 0.00 1.61 0.31 0.36 -4.87 118.33 115.78 1dd4 n VAL 31 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1dd4 n VAL 31 Cb 0.00 -2.60 0.00 0.00 -0.91 0.00 0.00 33.84 30.33 1dd4 n VAL 31 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1dd4 n THR 32 N 7.82 0.00 0.00 2.52 -1.04 -1.26 -4.83 114.28 117.49 1dd4 n THR 32 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1dd4 n THR 32 Cb 0.47 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1dd4 n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dd4 n ALA 33 N -3.00 0.00 -3.49 2.41 0.00 -1.26 -4.55 120.51 110.62 1dd4 n ALA 33 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1dd4 n ALA 33 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1dd4 n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dd4 s ALA 34 N 0.00 1.41 0.00 0.00 0.00 -1.26 -5.37 121.76 116.55 1dd4 s ALA 34 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1dd4 s ALA 34 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1dd4 s ALA 34 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 175.76 175.83