#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7j n ASP 2 N 0.00 -3.79 0.00 3.17 2.03 -1.26 -4.87 116.55 111.83 1u7j n ASP 2 Ca 0.00 0.21 0.12 0.00 0.52 0.00 0.00 54.79 55.64 1u7j n ASP 2 Cb 0.00 -3.25 0.60 0.00 -0.72 0.00 0.00 41.12 37.75 1u7j n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u7j n TYR 3 N -3.26 0.00 0.31 -0.67 4.11 -1.26 -4.50 117.16 111.89 1u7j n TYR 3 Ca -0.14 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 57.87 1u7j n TYR 3 Cb 0.59 -0.29 0.59 0.00 -0.00 0.00 0.00 39.34 40.23 1u7j n TYR 3 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.86 178.23 1u7j h LEU 4 N 0.00 0.00 -1.00 -3.48 8.10 -1.96 -1.05 115.31 115.92 1u7j h LEU 4 Ca 0.00 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.08 1u7j h LEU 4 Cb 0.23 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.37 1u7j h LEU 4 CO 0.00 0.00 0.64 -0.09 -4.11 0.00 0.00 178.44 174.88 1u7j h ARG 5 N 0.00 1.06 -0.28 0.17 2.43 -1.99 -1.51 114.38 114.26 1u7j h ARG 5 Ca 0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1u7j h ARG 5 Cb 0.93 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1u7j h ARG 5 CO 0.00 0.70 -0.03 0.93 -1.51 0.00 0.00 179.97 180.06 1u7j h GLU 6 N 1.09 0.43 -0.12 0.20 5.08 -1.57 0.17 114.58 119.86 1u7j h GLU 6 Ca 0.47 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1u7j h GLU 6 Cb 0.33 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1u7j h GLU 6 CO -0.22 0.49 0.03 -0.07 -1.00 0.00 0.00 179.01 178.24 1u7j h LEU 7 N 0.42 0.17 -0.37 1.33 3.38 -1.55 -2.53 115.31 116.15 1u7j h LEU 7 Ca 0.09 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1u7j h LEU 7 Cb 0.33 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1u7j h LEU 7 CO 0.01 0.35 0.04 0.22 0.09 0.00 0.00 178.44 179.16 1u7j h TYR 8 N -0.01 0.06 0.00 1.13 5.03 -0.81 0.12 116.97 122.50 1u7j h TYR 8 Ca 0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1u7j h TYR 8 Cb 0.25 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.55 1u7j h TYR 8 CO 0.01 -0.02 0.00 1.63 -1.32 0.00 0.00 178.16 178.45 1u7j n LYS 9 N -5.13 0.58 -0.06 1.82 4.76 0.00 -2.15 118.16 117.98 1u7j n LYS 9 Ca 0.02 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 1u7j n LYS 9 Cb 0.18 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 31.95 1u7j n LYS 9 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u7j n LEU 10 N -0.87 2.41 0.07 -0.35 4.77 -0.59 -4.48 117.00 117.96 1u7j n LEU 10 Ca 0.10 -0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 1u7j n LEU 10 Cb 0.05 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 1u7j n LEU 10 CO 0.08 0.57 0.04 -0.33 -1.33 0.00 0.00 177.39 176.42 1u7j h GLU 11 N -0.12 0.61 0.00 3.23 4.39 -0.67 -0.26 114.58 121.76 1u7j h GLU 11 Ca -0.27 -0.71 -0.12 0.00 0.34 0.00 0.00 59.36 58.60 1u7j h GLU 11 Cb 1.36 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 30.21 1u7j h GLU 11 CO -0.08 1.30 -0.56 1.96 -1.16 0.00 0.00 179.01 180.47 1u7j h GLN 12 N 0.32 0.00 0.11 2.33 1.08 -1.67 -2.98 115.11 114.30 1u7j h GLN 12 Ca -0.14 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1u7j h GLN 12 Cb 1.76 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.18 1u7j h GLN 12 CO 0.21 0.56 -0.08 1.96 -0.95 0.00 0.00 178.83 180.53 1u7j h GLN 13 N 0.00 -0.18 -2.10 1.46 1.08 -1.72 -3.19 115.11 110.46 1u7j h GLN 13 Ca -0.01 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1u7j h GLN 13 Cb 1.13 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 1u7j h GLN 13 CO 0.07 -0.12 -0.01 0.00 -0.95 0.00 0.00 178.83 177.82 1u7j n ALA 14 N -2.22 3.41 0.00 3.87 0.00 -0.12 -3.22 120.51 122.23 1u7j n ALA 14 Ca -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1u7j n ALA 14 Cb 0.11 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1u7j n ALA 14 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1u7j n MET 15 N 1.96 0.00 -0.33 0.00 0.00 -1.21 -4.69 117.12 112.85 1u7j n MET 15 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.74 1u7j n MET 15 Cb 0.38 -0.19 0.09 0.00 0.00 0.00 0.00 33.22 33.51 1u7j n MET 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1u7j h LYS 16 N 0.00 1.16 0.04 2.12 3.11 -1.56 -1.84 116.57 119.60 1u7j h LYS 16 Ca 0.00 -0.07 -0.30 0.00 -2.81 0.00 0.00 60.65 57.47 1u7j h LYS 16 Cb 0.00 -0.26 -0.04 0.00 -1.00 0.00 0.00 32.23 30.93 1u7j h LYS 16 CO 0.00 0.77 -1.68 -0.07 -2.81 0.00 0.00 179.45 175.66 1u7j h LEU 17 N 1.20 0.12 -0.88 5.20 4.07 -1.91 -3.37 115.31 119.73 1u7j h LEU 17 Ca 0.33 -0.23 0.01 0.00 0.08 0.00 0.00 57.88 58.08 1u7j h LEU 17 Cb -0.12 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.54 1u7j h LEU 17 CO -0.08 1.20 0.58 0.22 -1.08 0.00 0.00 178.44 179.29 1u7j h TYR 18 N 0.02 1.10 -0.46 1.13 5.03 -1.78 -0.02 116.97 122.00 1u7j h TYR 18 Ca -0.28 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.00 1u7j h TYR 18 Cb 2.00 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 39.88 1u7j h TYR 18 CO 0.02 0.68 0.05 0.07 -1.32 0.00 0.00 178.16 177.66 1u7j h ARG 19 N 1.18 0.72 -0.16 1.82 0.11 -1.53 -1.51 114.38 115.01 1u7j h ARG 19 Ca 0.33 -0.16 -0.06 0.00 0.10 0.00 0.00 59.98 60.19 1u7j h ARG 19 Cb -0.11 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 30.87 1u7j h ARG 19 CO -0.08 0.70 -0.12 1.49 0.10 0.00 0.00 179.97 182.06 1u7j h GLU 20 N 0.69 0.37 -0.47 0.08 4.22 -1.47 -1.71 114.58 116.29 1u7j h GLU 20 Ca 0.14 -0.18 0.04 0.00 0.08 0.00 0.00 59.36 59.44 1u7j h GLU 20 Cb 0.36 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1u7j h GLU 20 CO 0.01 0.72 0.24 0.00 -2.18 0.00 0.00 179.01 177.79 1u7j h ALA 21 N 0.65 0.59 -0.49 2.92 0.00 -1.03 -2.88 119.26 119.01 1u7j h ALA 21 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1u7j h ALA 21 Cb 0.63 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1u7j h ALA 21 CO 0.03 -0.11 0.25 1.03 0.00 0.00 0.00 179.25 180.45 1u7j h SER 22 N 0.47 0.36 -0.47 0.00 0.87 -1.13 0.18 113.55 113.83 1u7j h SER 22 Ca 0.20 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1u7j h SER 22 Cb 0.10 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1u7j h SER 22 CO -0.14 0.25 0.31 -0.08 -0.53 0.00 0.00 176.83 176.64 1u7j h GLU 23 N 0.49 0.47 0.14 2.24 4.81 -1.12 -0.37 114.58 121.23 1u7j h GLU 23 Ca 0.21 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 59.05 1u7j h GLU 23 Cb 0.12 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1u7j h GLU 23 CO -0.15 0.31 -1.95 -0.09 -0.73 0.00 0.00 179.01 176.40 1u7j h ARG 24 N 0.48 0.29 0.13 1.92 2.43 -1.26 -3.40 114.38 114.97 1u7j h ARG 24 Ca 0.19 -0.50 -0.29 0.00 -0.81 0.00 0.00 59.98 58.58 1u7j h ARG 24 Cb 0.17 0.19 0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1u7j h ARG 24 CO -0.05 1.24 -1.23 0.28 -1.51 0.00 0.00 179.97 178.70 1u7j h VAL 25 N 0.08 1.36 0.00 0.20 2.07 -0.92 -3.48 116.25 115.56 1u7j h VAL 25 Ca -0.41 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.45 1u7j h VAL 25 Cb 2.05 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.59 1u7j h VAL 25 CO 0.11 0.80 0.00 0.61 0.02 0.00 0.00 177.57 179.10 1u7j n GLY 26 N 1.40 0.50 3.77 2.17 0.00 -0.16 -5.02 105.19 107.85 1u7j n GLY 26 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1u7j n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u7j s ASP 27 N -2.32 6.26 0.28 1.61 1.11 -1.26 -4.97 116.67 117.38 1u7j s ASP 27 Ca 0.00 2.50 0.05 0.00 0.18 0.00 0.00 52.55 55.28 1u7j s ASP 27 Cb 0.00 -2.62 0.40 0.00 1.07 0.00 0.00 42.92 41.77 1u7j s ASP 27 CO 0.00 -0.87 1.67 1.55 1.18 0.00 0.00 175.17 178.71 1u7j h PRO 28 N 2.45 0.30 0.00 8.23 0.13 -1.99 -2.97 132.00 138.15 1u7j h PRO 28 Ca -0.49 -0.15 -0.07 0.00 -0.87 0.00 0.00 66.00 64.42 1u7j h PRO 28 Cb 1.25 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1u7j h PRO 28 CO 0.62 0.67 -0.35 -0.24 -0.23 0.00 0.00 178.00 178.46 1u7j h VAL 29 N 0.25 1.18 -0.31 1.56 3.04 -1.99 -2.20 116.25 117.77 1u7j h VAL 29 Ca 0.02 -1.23 -0.08 0.00 -1.01 0.00 0.00 66.70 64.39 1u7j h VAL 29 Cb 0.84 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 1u7j h VAL 29 CO 0.07 0.34 -0.14 -0.07 -1.01 0.00 0.00 177.57 176.77 1u7j h LEU 30 N 0.00 0.65 -0.88 3.16 4.07 -1.92 -0.98 115.31 119.41 1u7j h LEU 30 Ca -0.00 -0.40 0.03 0.00 0.08 0.00 0.00 57.88 57.59 1u7j h LEU 30 Cb 0.65 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 42.16 1u7j h LEU 30 CO 0.05 0.91 0.57 0.00 -1.08 0.00 0.00 178.44 178.89 1u7j h ALA 31 N 0.77 1.16 -0.61 1.53 0.00 -1.47 -1.52 119.26 119.11 1u7j h ALA 31 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1u7j h ALA 31 Cb 0.66 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1u7j h ALA 31 CO 0.04 0.44 0.33 -0.22 0.00 0.00 0.00 179.25 179.84 1u7j h LYS 32 N 1.12 0.61 -0.41 0.00 3.64 -1.26 -3.05 116.57 117.23 1u7j h LYS 32 Ca 0.35 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1u7j h LYS 32 Cb -0.02 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1u7j h LYS 32 CO -0.11 0.40 -0.05 0.82 -2.27 0.00 0.00 179.45 178.24 1u7j h ILE 33 N 0.63 1.24 -0.84 2.00 2.04 -0.24 -0.65 117.51 121.69 1u7j h ILE 33 Ca 0.27 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.14 1u7j h ILE 33 Cb 0.16 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1u7j h ILE 33 CO -0.17 0.35 0.54 -0.07 0.00 0.00 0.00 178.15 178.80 1u7j h LEU 34 N 0.64 0.91 -0.40 1.44 3.38 -1.22 -0.09 115.31 119.98 1u7j h LEU 34 Ca 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1u7j h LEU 34 Cb 0.47 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1u7j h LEU 34 CO 0.02 0.64 0.10 -0.33 0.09 0.00 0.00 178.44 178.97 1u7j h GLU 35 N 1.07 0.64 -0.11 1.13 4.39 -1.34 -1.02 114.58 119.34 1u7j h GLU 35 Ca 0.33 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1u7j h GLU 35 Cb -0.04 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1u7j h GLU 35 CO -0.10 0.66 0.07 -0.44 -1.16 0.00 0.00 179.01 178.03 1u7j h ASP 36 N 0.50 0.14 0.07 1.42 3.32 -0.73 -0.59 116.42 120.56 1u7j h ASP 36 Ca 0.13 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1u7j h ASP 36 Cb 0.30 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1u7j h ASP 36 CO 0.00 0.15 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.01 1u7j h GLU 37 N 0.11 0.38 -0.62 3.56 4.39 -1.03 -0.86 114.58 120.50 1u7j h GLU 37 Ca 0.04 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1u7j h GLU 37 Cb 0.04 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1u7j h GLU 37 CO -0.01 0.68 0.37 0.93 -1.16 0.00 0.00 179.01 179.82 1u7j h GLU 38 N 0.33 0.85 -0.83 2.33 5.08 -1.00 -2.63 114.58 118.71 1u7j h GLU 38 Ca 0.04 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1u7j h GLU 38 Cb 0.75 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1u7j h GLU 38 CO 0.06 0.61 0.50 0.87 -1.00 0.00 0.00 179.01 180.06 1u7j h LYS 39 N 0.85 1.11 -0.40 2.33 6.56 -0.72 -2.78 116.57 123.51 1u7j h LYS 39 Ca 0.22 -0.09 0.05 0.00 -1.06 0.00 0.00 60.65 59.77 1u7j h LYS 39 Cb -0.01 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 31.39 1u7j h LYS 39 CO -0.04 0.77 0.27 0.45 -2.06 0.00 0.00 179.45 178.84 1u7j h HIS 40 N 1.13 0.32 -0.03 -1.35 3.86 -0.80 -2.05 115.15 116.22 1u7j h HIS 40 Ca 0.30 0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 59.27 1u7j h HIS 40 Cb -0.06 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.32 1u7j h HIS 40 CO 0.00 0.17 -0.95 0.82 0.86 0.00 0.00 177.93 178.84 1u7j h ILE 41 N 0.32 1.32 -0.56 2.45 1.08 -1.30 0.27 117.51 121.07 1u7j h ILE 41 Ca 0.18 -2.24 -0.01 0.00 -0.39 0.00 0.00 64.86 62.39 1u7j h ILE 41 Cb 0.30 2.30 -0.03 0.00 -3.07 0.00 0.00 36.82 36.32 1u7j h ILE 41 CO -0.04 0.69 0.30 -0.33 -0.69 0.00 0.00 178.15 178.08 1u7j h GLU 42 N 0.37 0.79 -0.25 2.37 3.07 -1.45 -0.38 114.58 119.10 1u7j h GLU 42 Ca -0.10 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.61 1u7j h GLU 42 Cb 1.59 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.33 1u7j h GLU 42 CO 0.18 0.62 -0.09 -1.49 -1.40 0.00 0.00 179.01 176.82 1u7j h TRP 43 N 0.76 0.43 0.01 4.33 6.55 -1.32 -2.03 115.95 124.68 1u7j h TRP 43 Ca 0.20 -0.05 -0.00 0.00 0.95 0.00 0.00 58.89 59.99 1u7j h TRP 43 Cb 0.06 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.24 1u7j h TRP 43 CO -0.01 0.50 -0.01 1.25 -1.05 0.00 0.00 178.44 179.12 1u7j h LEU 44 N 0.38 -0.01 -0.40 -4.49 6.46 0.18 -1.32 115.31 116.11 1u7j h LEU 44 Ca 0.08 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1u7j h LEU 44 Cb 0.40 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1u7j h LEU 44 CO 0.02 -0.00 0.23 -0.08 -0.62 0.00 0.00 178.44 177.99 1u7j h GLU 45 N -0.02 0.45 -0.28 1.25 4.22 -0.99 -2.24 114.58 116.97 1u7j h GLU 45 Ca -0.00 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.45 1u7j h GLU 45 Cb 0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1u7j h GLU 45 CO 0.00 0.30 0.19 1.15 -2.18 0.00 0.00 179.01 178.47 1u7j h THR 46 N 0.47 0.98 0.00 0.32 2.02 -1.18 -2.69 112.91 112.83 1u7j h THR 46 Ca 0.16 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1u7j h THR 46 Cb 0.01 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1u7j h THR 46 CO -0.08 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.85 1u7j n ILE 47 N -4.49 0.90 0.26 3.11 0.13 -0.51 -1.82 119.36 116.93 1u7j n ILE 47 Ca 0.02 0.22 0.12 0.00 -1.10 0.00 0.00 62.75 62.02 1u7j n ILE 47 Cb 0.19 -1.08 0.60 0.00 -0.84 0.00 0.00 39.64 38.52 1u7j n ILE 47 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1u7j h ASN 48 N 0.00 0.00 0.00 9.51 2.35 -1.57 -3.50 115.58 122.37 1u7j h ASN 48 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u7j h ASN 48 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1u7j h ASN 48 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39