#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 -5.37 0.00 6.12 8.00 -1.26 -4.34 116.55 119.70 1u7j n ASP 2 Ca 0.00 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1u7j n ASP 2 Cb 0.00 -2.73 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 1u7j n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u7j n TYR 3 N -3.03 0.00 0.26 1.24 9.36 -1.26 -4.53 117.16 119.20 1u7j n TYR 3 Ca 0.01 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 1u7j n TYR 3 Cb 0.41 0.00 0.71 0.00 -0.63 0.00 0.00 39.34 39.83 1u7j n TYR 3 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 1u7j h LEU 4 N 0.00 0.00 -0.10 2.98 8.10 -1.98 -0.97 115.31 123.34 1u7j h LEU 4 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.83 1u7j h LEU 4 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.23 1u7j h LEU 4 CO 0.00 0.09 -0.58 -0.09 -4.11 0.00 0.00 178.44 173.76 1u7j h ARG 5 N 0.00 0.56 -0.90 0.17 2.43 -1.90 -0.84 114.38 113.90 1u7j h ARG 5 Ca -0.00 -0.47 0.02 0.00 -0.81 0.00 0.00 59.98 58.72 1u7j h ARG 5 Cb 0.21 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 1u7j h ARG 5 CO 0.01 1.10 0.59 0.93 -1.51 0.00 0.00 179.97 181.09 1u7j h GLU 6 N 0.17 1.15 -0.03 0.20 5.08 -1.65 -1.15 114.58 118.35 1u7j h GLU 6 Ca -0.04 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1u7j h GLU 6 Cb 1.22 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1u7j h GLU 6 CO 0.12 0.76 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.70 1u7j h LEU 7 N 1.18 -0.34 -0.32 1.33 3.38 -1.00 -0.83 115.31 118.71 1u7j h LEU 7 Ca 0.35 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.44 1u7j h LEU 7 Cb -0.07 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1u7j h LEU 7 CO -0.10 -0.16 -0.18 0.22 0.09 0.00 0.00 178.44 178.31 1u7j h TYR 8 N -0.18 -0.45 0.00 1.13 5.03 -0.98 0.20 116.97 121.71 1u7j h TYR 8 Ca 0.05 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1u7j h TYR 8 Cb 0.25 0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1u7j h TYR 8 CO -0.19 -0.26 0.00 1.63 -1.32 0.00 0.00 178.16 178.02 1u7j n LYS 9 N -5.35 0.50 -0.04 1.82 5.02 -0.45 -1.70 118.16 117.96 1u7j n LYS 9 Ca 0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1u7j n LYS 9 Cb 0.26 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.87 2.81 -0.08 -0.35 4.77 -0.35 -4.39 117.00 118.54 1u7j n LEU 10 Ca 0.09 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1u7j n LEU 10 Cb 0.04 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 1u7j n LEU 10 CO 0.07 0.61 0.61 -0.33 -1.33 0.00 0.00 177.39 177.02 1u7j h GLU 11 N -0.03 0.56 -0.19 3.23 4.39 -0.39 -0.76 114.58 121.41 1u7j h GLU 11 Ca -0.19 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.10 1u7j h GLU 11 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1u7j h GLU 11 CO -0.04 0.86 -0.43 1.96 -1.16 0.00 0.00 179.01 180.20 1u7j h GLN 12 N 0.27 0.45 -0.55 2.33 1.08 -1.57 -0.57 115.11 116.55 1u7j h GLN 12 Ca 0.04 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1u7j h GLN 12 Cb 0.74 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.15 1u7j h GLN 12 CO 0.05 0.80 0.34 1.96 -0.95 0.00 0.00 178.83 181.03 1u7j h GLN 13 N 0.37 0.75 -0.38 1.46 1.08 -1.73 -2.38 115.11 114.27 1u7j h GLN 13 Ca 0.03 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 1u7j h GLN 13 Cb 0.91 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1u7j h GLN 13 CO 0.08 0.54 -0.05 0.00 -0.95 0.00 0.00 178.83 178.45 1u7j h ALA 14 N 1.17 0.51 -0.98 3.87 0.00 -1.05 -3.22 119.26 119.56 1u7j h ALA 14 Ca 0.20 -0.29 0.15 0.00 0.00 0.00 0.00 54.91 54.97 1u7j h ALA 14 Cb -0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 1u7j h ALA 14 CO -0.04 0.34 0.61 1.98 0.00 0.00 0.00 179.25 182.14 1u7j h MET 15 N 0.51 0.81 -0.75 0.00 1.85 -0.83 -0.00 114.93 116.51 1u7j h MET 15 Ca 0.10 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 59.10 1u7j h MET 15 Cb 0.55 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.36 1u7j h MET 15 CO 0.03 0.53 0.31 -0.22 -0.40 0.00 0.00 176.91 177.16 1u7j h LYS 16 N 0.83 1.11 -0.27 0.39 3.64 -1.45 -2.16 116.57 118.67 1u7j h LYS 16 Ca 0.51 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.54 1u7j h LYS 16 Cb 0.70 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1u7j h LYS 16 CO -0.28 0.89 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.25 1u7j h LEU 17 N 1.09 0.88 0.00 5.20 3.38 -1.42 -3.24 115.31 121.20 1u7j h LEU 17 Ca 0.25 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1u7j h LEU 17 Cb 0.19 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1u7j h LEU 17 CO -0.02 1.24 0.00 -1.22 0.09 0.00 0.00 178.44 178.53 1u7j n TYR 18 N -4.11 0.00 0.71 1.13 4.01 -0.09 -0.67 117.16 118.14 1u7j n TYR 18 Ca -0.05 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.77 1u7j n TYR 18 Cb 0.58 -0.39 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 1u7j n TYR 18 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1u7j n ARG 19 N -1.39 1.85 -0.01 -0.72 1.85 -0.85 -4.55 116.66 112.85 1u7j n ARG 19 Ca 0.04 -0.43 -0.01 0.00 -1.00 0.00 0.00 57.85 56.45 1u7j n ARG 19 Cb 0.11 -1.24 -0.00 0.00 -1.05 0.00 0.00 32.46 30.27 1u7j n ARG 19 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1u7j n GLU 20 N -0.70 0.03 -0.05 2.89 2.13 -0.31 -4.44 120.64 120.18 1u7j n GLU 20 Ca 0.05 0.01 0.06 0.00 0.66 0.00 0.00 57.16 57.94 1u7j n GLU 20 Cb 0.29 -0.58 0.43 0.00 0.27 0.00 0.00 31.44 31.85 1u7j n GLU 20 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1u7j h ALA 21 N -0.04 1.78 -1.00 4.31 0.00 -1.18 -2.58 119.26 120.56 1u7j h ALA 21 Ca -0.03 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1u7j h ALA 21 Cb 1.03 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1u7j h ALA 21 CO -0.02 0.16 0.65 0.77 0.00 0.00 0.00 179.25 180.81 1u7j h SER 22 N 0.56 1.08 0.51 0.00 0.02 -1.80 0.22 113.55 114.13 1u7j h SER 22 Ca 0.21 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 1u7j h SER 22 Cb 0.13 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1u7j h SER 22 CO -0.05 0.73 -0.57 -0.33 -1.14 0.00 0.00 176.83 175.46 1u7j h GLU 23 N 1.25 0.07 0.00 3.45 5.08 -1.68 -0.66 114.58 122.08 1u7j h GLU 23 Ca 0.40 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1u7j h GLU 23 Cb 0.03 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1u7j h GLU 23 CO -0.13 0.62 -0.86 -0.09 -1.00 0.00 0.00 179.01 177.55 1u7j h ARG 24 N 0.05 0.00 0.00 2.33 9.65 -1.15 -3.40 114.38 121.87 1u7j h ARG 24 Ca -0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 1u7j h ARG 24 Cb 1.02 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 1u7j h ARG 24 CO 0.08 0.86 -1.44 0.28 2.80 0.00 0.00 179.97 182.54 1u7j n VAL 25 N -3.39 0.44 -0.97 0.20 0.31 -0.01 -5.05 118.33 109.86 1u7j n VAL 25 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1u7j n VAL 25 Cb 0.86 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 2.88 0.39 3.74 2.92 0.00 -0.26 -5.01 105.19 109.86 1u7j n GLY 26 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.13 6.60 0.16 1.61 1.01 -1.26 -4.96 116.67 117.69 1u7j s ASP 27 Ca 0.00 2.72 -0.07 0.00 0.71 0.00 0.00 52.55 55.90 1u7j s ASP 27 Cb 0.00 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1u7j s ASP 27 CO 0.00 -0.75 1.45 1.55 0.21 0.00 0.00 175.17 177.64 1u7j h PRO 28 N 5.07 0.72 -0.02 8.23 0.13 -1.98 -2.61 132.00 141.54 1u7j h PRO 28 Ca -0.46 -0.46 -0.09 0.00 -0.87 0.00 0.00 66.00 64.13 1u7j h PRO 28 Cb 1.22 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1u7j h PRO 28 CO 0.79 1.08 -0.40 -0.24 -0.23 0.00 0.00 178.00 178.99 1u7j h VAL 29 N 0.55 1.29 -0.17 1.56 3.04 -1.98 -0.39 116.25 120.16 1u7j h VAL 29 Ca 0.01 -1.39 -0.04 0.00 -1.01 0.00 0.00 66.70 64.26 1u7j h VAL 29 Cb 1.13 1.73 -0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1u7j h VAL 29 CO 0.11 0.40 -0.07 0.25 -1.01 0.00 0.00 177.57 177.26 1u7j h LEU 30 N 0.03 0.35 -1.08 3.16 5.85 -1.94 -1.04 115.31 120.63 1u7j h LEU 30 Ca -0.00 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1u7j h LEU 30 Cb 0.72 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1u7j h LEU 30 CO 0.05 0.67 0.49 0.00 -0.34 0.00 0.00 178.44 179.31 1u7j h ALA 31 N 0.69 1.31 -0.54 1.25 0.00 -1.35 -3.18 119.26 117.44 1u7j h ALA 31 Ca 0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1u7j h ALA 31 Cb 0.53 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1u7j h ALA 31 CO 0.02 0.59 0.00 -0.22 0.00 0.00 0.00 179.25 179.64 1u7j h LYS 32 N 1.14 0.95 -0.75 0.00 3.64 -0.82 -3.33 116.57 117.40 1u7j h LYS 32 Ca 0.29 -0.30 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1u7j h LYS 32 Cb -0.03 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1u7j h LYS 32 CO -0.05 0.96 0.49 0.82 -2.27 0.00 0.00 179.45 179.40 1u7j h ILE 33 N 0.83 1.12 0.00 2.00 2.04 -1.17 -3.10 117.51 119.23 1u7j h ILE 33 Ca 0.15 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1u7j h ILE 33 Cb 0.53 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1u7j h ILE 33 CO 0.03 0.17 -0.01 0.17 0.00 0.00 0.00 178.15 178.50 1u7j h LEU 34 N 0.92 0.00 -1.15 1.44 8.10 -1.70 -1.47 115.31 121.44 1u7j h LEU 34 Ca 0.30 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.24 1u7j h LEU 34 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.25 1u7j h LEU 34 CO -0.08 0.01 0.06 -0.33 -4.11 0.00 0.00 178.44 173.99 1u7j h GLU 35 N 0.00 0.65 -0.28 0.17 4.39 -1.79 -1.28 114.58 116.43 1u7j h GLU 35 Ca -0.00 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 1u7j h GLU 35 Cb 0.09 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1u7j h GLU 35 CO 0.00 0.63 -0.04 -0.44 -1.16 0.00 0.00 179.01 178.00 1u7j h ASP 36 N 0.63 0.52 -0.05 1.42 3.32 -1.48 -2.78 116.42 118.00 1u7j h ASP 36 Ca 0.14 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1u7j h ASP 36 Cb 0.30 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1u7j h ASP 36 CO 0.00 0.74 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.90 1u7j h GLU 37 N 0.30 0.24 -0.45 3.56 4.39 -1.52 -0.35 114.58 120.74 1u7j h GLU 37 Ca 0.08 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1u7j h GLU 37 Cb 0.50 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1u7j h GLU 37 CO 0.02 0.30 0.26 1.49 -1.16 0.00 0.00 179.01 179.93 1u7j h GLU 38 N 0.23 0.62 -0.19 2.33 4.22 -1.15 -2.44 114.58 118.20 1u7j h GLU 38 Ca 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1u7j h GLU 38 Cb 0.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1u7j h GLU 38 CO 0.01 0.47 0.10 0.87 -2.18 0.00 0.00 179.01 178.28 1u7j h LYS 39 N 0.60 0.27 -0.68 1.92 6.56 -1.12 -2.93 116.57 121.19 1u7j h LYS 39 Ca 0.16 -0.04 0.08 0.00 -1.06 0.00 0.00 60.65 59.80 1u7j h LYS 39 Cb 0.01 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 31.56 1u7j h LYS 39 CO -0.03 0.28 0.35 0.45 -2.06 0.00 0.00 179.45 178.44 1u7j h HIS 40 N 0.20 0.63 0.00 -1.35 3.86 -0.86 -1.54 115.15 116.09 1u7j h HIS 40 Ca 0.07 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.12 1u7j h HIS 40 Cb 0.09 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1u7j h HIS 40 CO -0.03 0.26 -1.15 0.97 0.86 0.00 0.00 177.93 178.84 1u7j h ILE 41 N 0.62 0.97 -0.27 2.45 2.10 -1.51 0.16 117.51 122.03 1u7j h ILE 41 Ca 0.33 -2.56 -0.01 0.00 1.08 0.00 0.00 64.86 63.70 1u7j h ILE 41 Cb 0.30 2.42 -0.01 0.00 -1.09 0.00 0.00 36.82 38.43 1u7j h ILE 41 CO -0.24 0.55 0.12 -0.08 -1.08 0.00 0.00 178.15 177.43 1u7j h GLU 42 N 0.00 0.39 -0.52 2.19 4.81 -1.35 -1.13 114.58 118.96 1u7j h GLU 42 Ca -0.11 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 1u7j h GLU 42 Cb 1.67 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 1u7j h GLU 42 CO 0.08 0.39 0.10 -1.49 -0.73 0.00 0.00 179.01 177.36 1u7j h TRP 43 N 0.30 0.84 -0.00 0.92 6.55 -1.23 -3.01 115.95 120.32 1u7j h TRP 43 Ca 0.09 -0.08 0.01 0.00 0.95 0.00 0.00 58.89 59.86 1u7j h TRP 43 Cb 0.13 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.18 1u7j h TRP 43 CO -0.02 0.72 -0.04 1.25 -1.05 0.00 0.00 178.44 179.30 1u7j h LEU 44 N 0.78 -0.12 -0.57 -4.49 6.46 -0.43 -0.92 115.31 116.02 1u7j h LEU 44 Ca 0.17 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.02 1u7j h LEU 44 Cb 0.32 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.24 1u7j h LEU 44 CO 0.00 -0.06 0.24 -0.08 -0.62 0.00 0.00 178.44 177.92 1u7j h GLU 45 N -0.07 0.44 -0.67 1.25 4.81 -1.19 0.09 114.58 119.22 1u7j h GLU 45 Ca 0.02 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1u7j h GLU 45 Cb 0.09 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1u7j h GLU 45 CO -0.04 0.29 0.40 1.15 -0.73 0.00 0.00 179.01 180.08 1u7j h THR 46 N 0.45 1.20 -0.12 0.32 2.02 -1.38 -0.50 112.91 114.90 1u7j h THR 46 Ca 0.27 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1u7j h THR 46 Cb 0.27 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1u7j h THR 46 CO -0.24 0.20 -0.00 0.40 0.37 0.00 0.00 175.52 176.25 1u7j h ILE 47 N 0.92 1.08 0.19 3.11 2.04 -0.31 -3.16 117.51 121.39 1u7j h ILE 47 Ca 0.24 -0.33 -0.34 0.00 1.00 0.00 0.00 64.86 65.44 1u7j h ILE 47 Cb -0.02 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1u7j h ILE 47 CO -0.04 0.11 -1.66 -1.13 0.00 0.00 0.00 178.15 175.43 1u7j h ASN 48 N 0.17 0.62 0.00 1.72 -1.24 -0.66 -3.51 115.58 112.68 1u7j h ASN 48 Ca 0.04 -0.85 0.00 0.00 0.71 0.00 0.00 56.30 56.20 1u7j h ASN 48 Cb 0.13 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1u7j h ASN 48 CO 0.00 1.71 0.00 0.61 -1.29 0.00 0.00 177.43 178.46