#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dd3 h THR 2 N 0.00 0.85 -0.03 2.03 2.02 -2.06 -0.64 112.91 115.07 1dd3 h THR 2 Ca 0.00 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1dd3 h THR 2 Cb 0.00 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1dd3 h THR 2 CO 0.00 0.09 -0.16 0.16 0.37 0.00 0.00 175.52 175.98 1dd3 h ILE 3 N 0.49 1.13 0.00 3.11 3.07 -2.05 0.11 117.51 123.37 1dd3 h ILE 3 Ca 0.29 -0.62 -0.05 0.00 1.55 0.00 0.00 64.86 66.03 1dd3 h ILE 3 Cb 0.30 1.29 -0.01 0.00 -0.27 0.00 0.00 36.82 38.13 1dd3 h ILE 3 CO -0.25 0.18 -0.23 0.44 -1.05 0.00 0.00 178.15 177.24 1dd3 h ASP 4 N 0.05 0.00 0.06 2.16 3.45 -1.57 0.57 116.42 121.14 1dd3 h ASP 4 Ca 0.01 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.25 1dd3 h ASP 4 Cb 0.31 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1dd3 h ASP 4 CO 0.02 0.23 -0.85 -0.33 -1.57 0.00 0.00 179.24 176.75 1dd3 h GLU 5 N 0.00 0.62 -0.06 3.56 4.39 -0.42 -2.23 114.58 120.43 1dd3 h GLU 5 Ca -0.00 -0.56 -0.23 0.00 0.34 0.00 0.00 59.36 58.91 1dd3 h GLU 5 Cb 0.57 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1dd3 h GLU 5 CO 0.03 1.18 -0.87 0.82 -1.16 0.00 0.00 179.01 179.00 1dd3 h ILE 6 N 0.40 1.33 -0.51 3.13 2.04 -0.92 -2.81 117.51 120.16 1dd3 h ILE 6 Ca -0.07 -2.19 -0.04 0.00 1.00 0.00 0.00 64.86 63.57 1dd3 h ILE 6 Cb 1.47 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 39.73 1dd3 h ILE 6 CO 0.16 0.67 0.18 0.40 0.00 0.00 0.00 178.15 179.56 1dd3 h ILE 7 N 0.38 1.23 -0.08 -0.67 2.04 -0.91 -1.08 117.51 118.41 1dd3 h ILE 7 Ca -0.07 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 1dd3 h ILE 7 Cb 1.50 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1dd3 h ILE 7 CO 0.17 0.27 -0.25 -0.33 0.00 0.00 0.00 178.15 178.01 1dd3 h GLU 8 N 0.69 0.14 -0.22 2.37 5.08 -1.43 -1.56 114.58 119.66 1dd3 h GLU 8 Ca 0.17 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 1dd3 h GLU 8 Cb 0.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1dd3 h GLU 8 CO -0.01 0.38 -0.47 0.00 -1.00 0.00 0.00 179.01 177.91 1dd3 h ALA 9 N 1.62 0.36 -0.62 3.43 0.00 -1.20 -3.16 119.26 119.69 1dd3 h ALA 9 Ca 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1dd3 h ALA 9 Cb 0.51 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1dd3 h ALA 9 CO 0.04 0.51 0.24 0.82 0.00 0.00 0.00 179.25 180.86 1dd3 h ILE 10 N 0.43 1.23 0.00 0.00 2.04 -0.84 -2.61 117.51 117.76 1dd3 h ILE 10 Ca 0.00 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1dd3 h ILE 10 Cb 1.08 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1dd3 h ILE 10 CO 0.10 0.29 0.00 -1.84 0.00 0.00 0.00 178.15 176.70 1dd3 n GLU 11 N -4.43 0.39 0.00 2.37 0.28 -0.62 -2.28 120.64 116.34 1dd3 n GLU 11 Ca 0.04 0.06 0.11 0.00 -0.16 0.00 0.00 57.16 57.21 1dd3 n GLU 11 Cb 0.17 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.54 1dd3 n GLU 11 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1dd3 n LYS 12 N -1.24 0.75 -2.36 3.44 5.02 -0.99 -4.95 118.16 117.83 1dd3 n LYS 12 Ca 0.12 -0.60 -0.36 0.00 -2.02 0.00 0.00 58.31 55.45 1dd3 n LYS 12 Cb 0.16 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1dd3 n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dd3 s LEU 13 N -2.67 3.93 0.91 -0.35 1.43 -0.97 -5.04 118.68 115.93 1dd3 s LEU 13 Ca 0.15 2.15 -0.13 0.00 -1.03 0.00 0.00 54.13 55.27 1dd3 s LEU 13 Cb 0.17 -4.39 0.14 0.00 0.03 0.00 0.00 46.19 42.14 1dd3 s LEU 13 CO 0.67 -0.91 1.16 0.42 0.23 0.00 0.00 176.35 177.93 1dd3 s THR 14 N -1.71 1.98 0.36 5.49 -4.23 -1.26 -4.76 115.64 111.51 1dd3 s THR 14 Ca 0.66 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.40 1dd3 s THR 14 Cb -0.24 -2.80 0.23 0.00 1.34 0.00 0.00 72.50 71.03 1dd3 s THR 14 CO 0.28 0.00 1.98 0.58 -0.54 0.00 0.00 174.62 176.92 1dd3 h VAL 15 N -1.49 0.75 0.06 2.29 2.07 -1.98 -0.14 116.25 117.80 1dd3 h VAL 15 Ca -0.49 -0.79 -0.24 0.00 0.82 0.00 0.00 66.70 66.00 1dd3 h VAL 15 Cb 1.32 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1dd3 h VAL 15 CO 0.59 0.19 -1.07 0.28 0.02 0.00 0.00 177.57 177.58 1dd3 h SER 16 N 0.00 0.34 -0.17 0.57 0.02 -1.99 -2.77 113.55 109.55 1dd3 h SER 16 Ca -0.00 -0.32 -0.09 0.00 -0.84 0.00 0.00 61.79 60.53 1dd3 h SER 16 Cb 0.47 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1dd3 h SER 16 CO 0.03 1.20 -0.25 -0.33 -1.14 0.00 0.00 176.83 176.33 1dd3 h GLU 17 N 0.09 0.46 -0.72 3.45 5.08 -1.72 -1.50 114.58 119.72 1dd3 h GLU 17 Ca -0.09 -0.28 0.07 0.00 -1.00 0.00 0.00 59.36 58.07 1dd3 h GLU 17 Cb 1.76 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.98 1dd3 h GLU 17 CO 0.17 0.87 0.40 1.25 -1.00 0.00 0.00 179.01 180.70 1dd3 h LEU 18 N 0.10 0.58 -1.12 1.33 7.12 -1.13 0.92 115.31 123.12 1dd3 h LEU 18 Ca 0.02 0.04 -0.07 0.00 0.13 0.00 0.00 57.88 58.00 1dd3 h LEU 18 Cb 0.82 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.86 1dd3 h LEU 18 CO 0.06 0.36 -0.09 0.00 -0.13 0.00 0.00 178.44 178.64 1dd3 h ALA 19 N 1.39 1.27 -0.07 1.25 0.00 -1.43 -0.28 119.26 121.38 1dd3 h ALA 19 Ca 0.33 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1dd3 h ALA 19 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1dd3 h ALA 19 CO -0.21 0.48 -0.69 1.49 0.00 0.00 0.00 179.25 180.32 1dd3 h GLU 20 N 0.49 0.33 0.12 0.00 4.81 -0.06 0.18 114.58 120.44 1dd3 h GLU 20 Ca 0.09 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1dd3 h GLU 20 Cb 0.45 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1dd3 h GLU 20 CO 0.02 0.90 -0.06 1.25 -0.73 0.00 0.00 179.01 180.39 1dd3 h LEU 21 N 0.23 -0.14 -0.16 1.64 5.85 -0.48 -1.73 115.31 120.52 1dd3 h LEU 21 Ca -0.02 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1dd3 h LEU 21 Cb 1.25 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 1dd3 h LEU 21 CO 0.11 0.13 -0.10 0.58 -0.34 0.00 0.00 178.44 178.83 1dd3 h VAL 22 N -0.41 0.71 -0.50 1.05 2.07 -1.00 -1.55 116.25 116.63 1dd3 h VAL 22 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1dd3 h VAL 22 Cb 0.33 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1dd3 h VAL 22 CO 0.03 0.00 0.23 0.07 0.02 0.00 0.00 177.57 177.92 1dd3 h LYS 23 N -0.09 0.44 -0.12 1.57 2.10 -0.91 -2.09 116.57 117.46 1dd3 h LYS 23 Ca 0.09 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1dd3 h LYS 23 Cb 0.23 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1dd3 h LYS 23 CO -0.22 0.29 0.05 0.87 -2.00 0.00 0.00 179.45 178.45 1dd3 h LYS 24 N 0.45 0.18 -0.01 0.07 1.57 -0.98 -1.22 116.57 116.63 1dd3 h LYS 24 Ca 0.22 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1dd3 h LYS 24 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1dd3 h LYS 24 CO -0.18 0.26 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.84 1dd3 h LEU 25 N 0.06 -0.15 -0.88 2.94 3.38 -1.12 0.85 115.31 120.39 1dd3 h LEU 25 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1dd3 h LEU 25 Cb 0.14 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1dd3 h LEU 25 CO -0.00 -0.08 0.58 -0.33 0.09 0.00 0.00 178.44 178.69 1dd3 h GLU 26 N -0.09 1.13 0.77 1.13 5.08 -1.37 -1.71 114.58 119.52 1dd3 h GLU 26 Ca 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1dd3 h GLU 26 Cb 0.12 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1dd3 h GLU 26 CO -0.07 0.75 -0.48 0.22 -1.00 0.00 0.00 179.01 178.43 1dd3 h ASP 27 N 1.16 -1.22 -0.19 1.42 -0.00 -0.72 0.44 116.42 117.32 1dd3 h ASP 27 Ca 0.33 0.07 0.05 0.00 -0.00 0.00 0.00 57.03 57.48 1dd3 h ASP 27 Cb -0.10 0.36 -0.01 0.00 -0.00 0.00 0.00 39.33 39.58 1dd3 h ASP 27 CO -0.08 -0.74 0.24 0.50 -0.00 0.00 0.00 179.24 179.16 1dd3 h LYS 28 N -1.18 0.00 -0.38 0.28 3.64 -0.61 -0.15 116.57 118.17 1dd3 h LYS 28 Ca -0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1dd3 h LYS 28 Cb 0.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1dd3 h LYS 28 CO 0.10 0.00 0.01 1.19 -2.27 0.00 0.00 179.45 178.48 1dd3 n PHE 29 N -3.64 1.38 -3.40 1.91 3.01 -0.66 -4.97 117.46 111.08 1dd3 n PHE 29 Ca 0.02 -0.88 -0.17 0.00 1.01 0.00 0.00 57.45 57.43 1dd3 n PHE 29 Cb 0.36 -0.40 0.08 0.00 -0.01 0.00 0.00 39.48 39.51 1dd3 n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dd3 n GLY 30 N -0.17 -0.54 3.89 1.37 0.00 -0.07 -5.02 105.19 104.66 1dd3 n GLY 30 Ca 0.25 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 1dd3 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dd3 s VAL 31 N -3.38 5.22 0.00 1.61 1.01 0.15 -5.02 120.40 119.99 1dd3 s VAL 31 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1dd3 s VAL 31 Cb -0.01 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1dd3 s VAL 31 CO 0.74 0.17 0.42 0.41 0.00 0.00 0.00 175.10 176.84