#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7j h ASP 2 N 0.00 0.00 0.14 6.12 3.58 -1.94 -3.08 116.42 121.23 1u7j h ASP 2 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1u7j h ASP 2 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1u7j h ASP 2 CO 0.00 0.09 0.00 -1.22 -2.88 0.00 0.00 179.24 175.23 1u7j n TYR 3 N -4.06 0.00 0.11 0.28 4.01 -1.26 -4.59 117.16 111.65 1u7j n TYR 3 Ca -0.03 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.90 1u7j n TYR 3 Cb 0.18 -0.12 0.76 0.00 -0.31 0.00 0.00 39.34 39.84 1u7j n TYR 3 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 1u7j h LEU 4 N 0.00 0.00 -1.13 7.72 -0.00 -1.92 -1.98 115.31 118.00 1u7j h LEU 4 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1u7j h LEU 4 Cb 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.68 1u7j h LEU 4 CO 0.00 0.00 0.59 0.03 -0.00 0.00 0.00 178.44 179.06 1u7j h ARG 5 N 0.00 1.10 0.00 0.17 3.08 -1.91 -0.13 114.38 116.70 1u7j h ARG 5 Ca 0.17 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1u7j h ARG 5 Cb 0.82 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1u7j h ARG 5 CO -0.00 0.73 -0.27 0.93 -1.07 0.00 0.00 179.97 180.29 1u7j h GLU 6 N 1.14 0.00 0.01 0.04 5.08 -1.74 -0.02 114.58 119.09 1u7j h GLU 6 Ca 0.36 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 1u7j h GLU 6 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1u7j h GLU 6 CO -0.10 0.27 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.91 1u7j h LEU 7 N 0.00 0.16 -0.47 1.33 3.38 -1.46 -3.08 115.31 115.16 1u7j h LEU 7 Ca -0.00 -0.83 0.06 0.00 0.09 0.00 0.00 57.88 57.20 1u7j h LEU 7 Cb 0.67 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1u7j h LEU 7 CO 0.04 0.97 0.16 0.22 0.09 0.00 0.00 178.44 179.91 1u7j h TYR 8 N -0.64 0.28 0.00 1.13 5.03 -0.94 0.13 116.97 121.97 1u7j h TYR 8 Ca -0.03 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1u7j h TYR 8 Cb 1.00 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.23 1u7j h TYR 8 CO 0.20 0.09 0.00 1.63 -1.32 0.00 0.00 178.16 178.76 1u7j n LYS 9 N -5.02 0.76 -0.04 1.82 5.02 -0.03 -2.01 118.16 118.66 1u7j n LYS 9 Ca 0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.27 1u7j n LYS 9 Cb 0.19 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 1u7j n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1u7j n LEU 10 N -0.62 2.10 0.05 -0.35 4.77 -0.61 -4.59 117.00 117.75 1u7j n LEU 10 Ca 0.04 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 1u7j n LEU 10 Cb 0.02 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1u7j n LEU 10 CO 0.03 0.45 0.19 -0.33 -1.33 0.00 0.00 177.39 176.40 1u7j h GLU 11 N -0.10 0.53 0.04 3.23 4.39 -0.64 0.72 114.58 122.75 1u7j h GLU 11 Ca -0.17 -0.54 -0.23 0.00 0.34 0.00 0.00 59.36 58.77 1u7j h GLU 11 Cb 1.21 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1u7j h GLU 11 CO -0.06 1.17 -1.02 1.96 -1.16 0.00 0.00 179.01 179.90 1u7j h GLN 12 N 0.32 0.20 -0.81 2.33 1.08 -1.64 -2.01 115.11 114.58 1u7j h GLN 12 Ca -0.08 -0.28 0.02 0.00 -1.45 0.00 0.00 58.65 56.86 1u7j h GLN 12 Cb 1.55 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 29.03 1u7j h GLN 12 CO 0.17 1.06 0.53 1.96 -0.95 0.00 0.00 178.83 181.60 1u7j h GLN 13 N 0.09 1.03 0.09 1.46 1.08 -1.69 -2.52 115.11 114.65 1u7j h GLN 13 Ca -0.07 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1u7j h GLN 13 Cb 1.71 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 1u7j h GLN 13 CO 0.16 0.68 -0.04 0.00 -0.95 0.00 0.00 178.83 178.68 1u7j h ALA 14 N 1.32 -0.12 -0.83 3.87 0.00 -0.86 -3.27 119.26 119.36 1u7j h ALA 14 Ca 0.31 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.29 1u7j h ALA 14 Cb -0.07 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1u7j h ALA 14 CO -0.08 -0.56 0.47 1.98 0.00 0.00 0.00 179.25 181.05 1u7j h MET 15 N -0.13 0.74 -0.94 0.00 1.85 -0.97 0.10 114.93 115.57 1u7j h MET 15 Ca -0.01 -0.04 0.14 0.00 -0.61 0.00 0.00 59.70 59.17 1u7j h MET 15 Cb 0.10 -0.17 -0.08 0.00 0.43 0.00 0.00 31.60 31.89 1u7j h MET 15 CO 0.02 0.49 0.60 0.87 -0.40 0.00 0.00 176.91 178.49 1u7j h LYS 16 N 0.76 0.79 0.16 0.39 1.57 -1.51 -1.45 116.57 117.28 1u7j h LYS 16 Ca 0.41 -0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.80 1u7j h LYS 16 Cb 0.43 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1u7j h LYS 16 CO -0.27 0.52 -1.77 -0.07 -0.57 0.00 0.00 179.45 177.29 1u7j h LEU 17 N 0.81 0.53 -1.02 2.94 3.38 -1.35 -3.24 115.31 117.36 1u7j h LEU 17 Ca 0.48 -0.93 0.05 0.00 0.09 0.00 0.00 57.88 57.57 1u7j h LEU 17 Cb 0.65 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1u7j h LEU 17 CO -0.24 1.79 0.65 1.88 0.09 0.00 0.00 178.44 182.61 1u7j h TYR 18 N 0.03 1.21 0.00 1.13 0.05 -0.66 -0.67 116.97 118.05 1u7j h TYR 18 Ca -0.36 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.34 1u7j h TYR 18 Cb 2.03 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 39.35 1u7j h TYR 18 CO 0.10 0.68 -0.50 0.07 -1.05 0.00 0.00 178.16 177.45 1u7j h ARG 19 N 1.23 0.00 0.18 4.88 -0.00 -1.41 -3.15 114.38 116.12 1u7j h ARG 19 Ca 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.38 1u7j h ARG 19 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.03 1u7j h ARG 19 CO -0.14 0.50 -0.09 1.49 -0.00 0.00 0.00 179.97 181.74 1u7j h GLU 20 N 0.00 -0.23 -2.00 0.08 4.81 -1.46 -3.30 114.58 112.47 1u7j h GLU 20 Ca -0.01 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1u7j h GLU 20 Cb 1.25 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1u7j h GLU 20 CO 0.07 0.18 -0.01 0.00 -0.73 0.00 0.00 179.01 178.51 1u7j n ALA 21 N -2.53 3.88 -0.04 2.92 0.00 -0.31 -3.67 120.51 120.76 1u7j n ALA 21 Ca -0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1u7j n ALA 21 Cb 0.26 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1u7j n ALA 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u7j n SER 22 N 1.59 1.15 -0.20 0.00 2.88 -1.19 -4.37 113.62 113.49 1u7j n SER 22 Ca 0.02 0.19 -0.01 0.00 -1.33 0.00 0.00 58.87 57.73 1u7j n SER 22 Cb 0.47 -0.44 0.21 0.00 -0.75 0.00 0.00 64.21 63.70 1u7j n SER 22 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1u7j h GLU 23 N -0.46 0.96 0.00 -1.46 4.81 -1.77 0.01 114.58 116.66 1u7j h GLU 23 Ca -0.19 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1u7j h GLU 23 Cb 0.95 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1u7j h GLU 23 CO -0.12 0.72 0.00 0.00 -0.73 0.00 0.00 179.01 178.88 1u7j h ARG 24 N 0.97 0.00 0.00 1.92 3.08 -1.85 -3.38 114.38 115.12 1u7j h ARG 24 Ca 0.24 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.17 1u7j h ARG 24 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1u7j h ARG 24 CO -0.04 0.00 -1.47 0.28 -1.07 0.00 0.00 179.97 177.67 1u7j n VAL 25 N -2.84 0.48 -0.16 2.04 0.31 -0.91 -5.04 118.33 112.20 1u7j n VAL 25 Ca 0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1u7j n VAL 25 Cb 0.36 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 1u7j n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u7j n GLY 26 N 3.05 2.02 3.72 2.92 0.00 -0.06 -5.00 105.19 111.84 1u7j n GLY 26 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.40 6.57 0.37 1.61 1.01 -1.26 -4.94 116.67 116.63 1u7j s ASP 27 Ca 0.00 2.63 0.18 0.00 0.71 0.00 0.00 52.55 56.07 1u7j s ASP 27 Cb 0.00 -2.59 0.67 0.00 1.01 0.00 0.00 42.92 42.01 1u7j s ASP 27 CO 0.00 -0.84 1.74 1.55 0.21 0.00 0.00 175.17 177.83 1u7j h PRO 28 N 6.88 0.00 -0.00 8.23 0.13 -1.99 -2.76 132.00 142.49 1u7j h PRO 28 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1u7j h PRO 28 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1u7j h PRO 28 CO 0.92 0.39 -0.34 -0.24 -0.23 0.00 0.00 178.00 178.50 1u7j h VAL 29 N 0.00 1.25 -0.86 1.56 3.04 -2.00 -2.65 116.25 116.59 1u7j h VAL 29 Ca -0.00 -1.19 -0.01 0.00 -1.01 0.00 0.00 66.70 64.49 1u7j h VAL 29 Cb 0.89 1.64 -0.04 0.00 -2.01 0.00 0.00 31.29 31.76 1u7j h VAL 29 CO 0.05 0.34 0.49 0.25 -1.01 0.00 0.00 177.57 177.69 1u7j h LEU 30 N 0.01 1.05 -1.24 3.16 6.46 -1.89 -1.37 115.31 121.50 1u7j h LEU 30 Ca -0.00 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 1u7j h LEU 30 Cb 0.61 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1u7j h LEU 30 CO 0.05 0.83 0.12 0.00 -0.62 0.00 0.00 178.44 178.82 1u7j h ALA 31 N 1.26 1.39 -0.18 1.25 0.00 -1.52 -2.00 119.26 119.47 1u7j h ALA 31 Ca 0.30 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1u7j h ALA 31 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1u7j h ALA 31 CO -0.05 0.44 -0.38 0.87 0.00 0.00 0.00 179.25 180.13 1u7j h LYS 32 N 0.63 0.40 -0.86 0.00 1.57 -1.23 -2.50 116.57 114.59 1u7j h LYS 32 Ca 0.15 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1u7j h LYS 32 Cb 0.21 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1u7j h LYS 32 CO -0.01 0.72 0.53 0.82 -0.57 0.00 0.00 179.45 180.95 1u7j h ILE 33 N 0.34 1.06 -0.92 1.86 2.04 -0.81 -1.91 117.51 119.16 1u7j h ILE 33 Ca 0.03 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1u7j h ILE 33 Cb 0.82 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1u7j h ILE 33 CO 0.07 0.18 0.60 -0.07 0.00 0.00 0.00 178.15 178.92 1u7j h LEU 34 N 0.99 0.99 -0.62 1.44 3.38 -0.92 -0.04 115.31 120.53 1u7j h LEU 34 Ca 0.37 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.20 1u7j h LEU 34 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1u7j h LEU 34 CO -0.16 0.68 -0.30 -0.33 0.09 0.00 0.00 178.44 178.42 1u7j h GLU 35 N 1.16 0.76 0.00 1.13 4.39 -1.37 -2.08 114.58 118.57 1u7j h GLU 35 Ca 0.36 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1u7j h GLU 35 Cb -0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1u7j h GLU 35 CO -0.12 0.96 -0.00 -0.44 -1.16 0.00 0.00 179.01 178.26 1u7j h ASP 36 N 0.65 -0.00 0.35 1.42 3.32 -0.89 -2.71 116.42 118.57 1u7j h ASP 36 Ca 0.08 -0.42 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 1u7j h ASP 36 Cb 0.83 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1u7j h ASP 36 CO 0.07 0.41 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.35 1u7j h GLU 37 N -0.42 0.00 -0.16 3.56 4.39 -1.06 -0.84 114.58 120.05 1u7j h GLU 37 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u7j h GLU 37 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1u7j h GLU 37 CO 0.00 0.33 0.10 0.93 -1.16 0.00 0.00 179.01 179.21 1u7j h GLU 38 N 0.00 0.22 -0.79 2.33 4.39 -1.40 -2.74 114.58 116.59 1u7j h GLU 38 Ca -0.00 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.76 1u7j h GLU 38 Cb 0.59 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.13 1u7j h GLU 38 CO 0.04 0.19 0.45 0.87 -1.16 0.00 0.00 179.01 179.40 1u7j h LYS 39 N 0.19 0.75 -0.46 2.33 1.57 -1.10 -2.96 116.57 116.89 1u7j h LYS 39 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1u7j h LYS 39 Cb 0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1u7j h LYS 39 CO -0.01 0.50 0.30 0.45 -0.57 0.00 0.00 179.45 180.12 1u7j h HIS 40 N 0.77 0.58 -0.08 -1.35 3.86 -0.88 -1.23 115.15 116.82 1u7j h HIS 40 Ca 0.37 0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 59.35 1u7j h HIS 40 Cb 0.30 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.59 1u7j h HIS 40 CO -0.07 0.37 -0.90 0.82 0.86 0.00 0.00 177.93 179.01 1u7j h ILE 41 N 0.63 1.28 -0.60 2.45 1.08 -1.34 0.19 117.51 121.20 1u7j h ILE 41 Ca 0.17 -2.10 -0.01 0.00 -0.39 0.00 0.00 64.86 62.53 1u7j h ILE 41 Cb -0.07 2.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 1u7j h ILE 41 CO -0.04 0.66 0.35 -0.08 -0.69 0.00 0.00 178.15 178.35 1u7j h GLU 42 N 0.47 0.82 -0.17 2.37 4.81 -1.34 -1.79 114.58 119.75 1u7j h GLU 42 Ca -0.09 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1u7j h GLU 42 Cb 1.54 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1u7j h GLU 42 CO 0.18 0.60 -0.26 -1.49 -0.73 0.00 0.00 179.01 177.31 1u7j h TRP 43 N 0.81 0.36 0.14 0.92 6.55 -1.23 -3.20 115.95 120.29 1u7j h TRP 43 Ca 0.21 -0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.99 1u7j h TRP 43 Cb -0.00 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.20 1u7j h TRP 43 CO -0.02 0.56 -0.12 1.25 -1.05 0.00 0.00 178.44 179.06 1u7j h LEU 44 N 0.29 -0.31 -0.84 -4.49 6.46 0.14 -2.18 115.31 114.38 1u7j h LEU 44 Ca 0.04 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1u7j h LEU 44 Cb 0.62 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.60 1u7j h LEU 44 CO 0.04 -0.18 0.54 -0.08 -0.62 0.00 0.00 178.44 178.13 1u7j h GLU 45 N -0.27 0.99 0.00 1.25 4.22 -1.41 -1.38 114.58 117.98 1u7j h GLU 45 Ca -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 1u7j h GLU 45 Cb 0.25 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1u7j h GLU 45 CO -0.02 0.66 -0.11 1.15 -2.18 0.00 0.00 179.01 178.50 1u7j h THR 46 N 1.02 0.92 0.00 0.32 2.02 -1.52 -3.05 112.91 112.63 1u7j h THR 46 Ca 0.35 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1u7j h THR 46 Cb 0.06 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1u7j h THR 46 CO -0.13 0.11 0.00 0.00 0.37 0.00 0.00 175.52 175.87 1u7j n ILE 47 N -4.18 1.43 0.41 3.11 0.13 -0.52 -2.07 119.36 117.66 1u7j n ILE 47 Ca -0.03 0.36 0.13 0.00 -1.10 0.00 0.00 62.75 62.11 1u7j n ILE 47 Cb 0.19 -1.22 0.50 0.00 -0.84 0.00 0.00 39.64 38.27 1u7j n ILE 47 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 1u7j h ASN 48 N 0.00 0.00 0.00 9.51 -1.24 -1.65 -3.41 115.58 118.79 1u7j h ASN 48 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1u7j h ASN 48 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1u7j h ASN 48 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75