#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 0.00 0.33 7.83 2.03 -1.26 -5.00 116.55 120.48 1u7j n ASP 2 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 1u7j n ASP 2 Cb 0.00 0.00 0.60 0.00 -0.72 0.00 0.00 41.12 41.00 1u7j n ASP 2 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1u7j h TYR 3 N 0.00 0.00 0.00 -0.67 -0.00 -2.02 -1.35 116.97 112.93 1u7j h TYR 3 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 1u7j h TYR 3 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1u7j h TYR 3 CO 0.00 0.00 -0.11 -0.07 -0.00 0.00 0.00 178.16 177.98 1u7j h LEU 4 N 0.00 0.00 -0.93 0.10 4.07 -1.98 -2.43 115.31 114.13 1u7j h LEU 4 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1u7j h LEU 4 Cb 0.99 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.69 1u7j h LEU 4 CO 0.00 0.11 0.56 -0.09 -1.08 0.00 0.00 178.44 177.93 1u7j h ARG 5 N 0.00 1.27 0.00 1.13 2.43 -1.67 0.11 114.38 117.66 1u7j h ARG 5 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1u7j h ARG 5 Cb 1.07 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1u7j h ARG 5 CO 0.01 0.89 0.00 0.39 -1.51 0.00 0.00 179.97 179.76 1u7j n GLU 6 N -4.36 0.08 -0.11 0.20 -0.58 -0.94 -1.71 120.64 113.22 1u7j n GLU 6 Ca 0.10 0.40 -0.24 0.00 -0.42 0.00 0.00 57.16 57.00 1u7j n GLU 6 Cb 0.06 -1.68 -0.11 0.00 -0.57 0.00 0.00 31.44 29.14 1u7j n GLU 6 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1u7j n LEU 7 N -1.84 2.17 -0.18 -4.62 4.77 -0.76 -4.26 117.00 112.28 1u7j n LEU 7 Ca 0.02 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 1u7j n LEU 7 Cb 0.14 -0.92 0.08 0.00 -2.33 0.00 0.00 43.42 40.39 1u7j n LEU 7 CO 0.13 0.57 0.87 0.22 -1.33 0.00 0.00 177.39 177.85 1u7j h TYR 8 N -0.71 0.04 0.00 -1.77 5.03 -0.72 0.30 116.97 119.14 1u7j h TYR 8 Ca -0.54 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.81 1u7j h TYR 8 Cb 1.62 0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.96 1u7j h TYR 8 CO 0.01 -0.10 0.00 0.36 -1.32 0.00 0.00 178.16 177.11 1u7j n LYS 9 N -5.21 0.11 0.00 1.82 -0.00 -0.69 -2.35 118.16 111.83 1u7j n LYS 9 Ca 0.07 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1u7j n LYS 9 Cb 0.31 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.84 1u7j n LYS 9 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1u7j n LEU 10 N -1.19 2.18 -0.04 -5.58 7.94 -0.12 -4.36 117.00 115.82 1u7j n LEU 10 Ca 0.03 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.78 1u7j n LEU 10 Cb 0.03 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.90 1u7j n LEU 10 CO 0.04 0.36 0.46 -0.33 -1.11 0.00 0.00 177.39 176.81 1u7j h GLU 11 N 0.00 0.37 0.00 1.96 4.39 -0.49 0.55 114.58 121.36 1u7j h GLU 11 Ca 0.00 -0.28 -0.12 0.00 0.34 0.00 0.00 59.36 59.31 1u7j h GLU 11 Cb 0.97 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1u7j h GLU 11 CO 0.00 0.90 -0.55 1.96 -1.16 0.00 0.00 179.01 180.16 1u7j h GLN 12 N -0.08 0.00 -0.27 2.33 1.08 -1.69 0.01 115.11 116.48 1u7j h GLN 12 Ca -0.01 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1u7j h GLN 12 Cb 0.93 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1u7j h GLN 12 CO 0.07 0.55 -0.00 1.96 -0.95 0.00 0.00 178.83 180.46 1u7j h GLN 13 N 0.00 0.48 -0.59 1.46 1.08 -1.71 -2.96 115.11 112.87 1u7j h GLN 13 Ca -0.01 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 56.98 1u7j h GLN 13 Cb 1.08 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.44 1u7j h GLN 13 CO 0.07 0.64 0.11 0.00 -0.95 0.00 0.00 178.83 178.70 1u7j h ALA 14 N 0.82 1.08 -0.68 3.87 0.00 -0.75 -2.94 119.26 120.66 1u7j h ALA 14 Ca 0.08 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1u7j h ALA 14 Cb 0.43 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1u7j h ALA 14 CO 0.01 0.60 0.26 1.98 0.00 0.00 0.00 179.25 182.10 1u7j h MET 15 N 0.89 0.41 -0.17 0.00 1.85 -0.97 0.16 114.93 117.09 1u7j h MET 15 Ca 0.18 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.30 1u7j h MET 15 Cb 0.37 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 1u7j h MET 15 CO 0.01 0.27 0.13 -0.22 -0.40 0.00 0.00 176.91 176.69 1u7j h LYS 16 N 0.42 0.00 0.05 0.39 3.64 -1.34 -2.56 116.57 117.16 1u7j h LYS 16 Ca 0.36 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.39 1u7j h LYS 16 Cb 0.50 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1u7j h LYS 16 CO -0.36 0.00 -2.06 1.28 -2.27 0.00 0.00 179.45 176.04 1u7j n LEU 17 N -4.40 1.83 -0.08 5.20 4.77 -0.34 -3.19 117.00 120.79 1u7j n LEU 17 Ca 0.01 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 1u7j n LEU 17 Cb 0.26 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1u7j n LEU 17 CO 0.34 0.69 0.87 1.88 -1.33 0.00 0.00 177.39 179.84 1u7j h TYR 18 N 0.03 0.02 -0.25 -1.77 0.05 -0.55 0.55 116.97 115.05 1u7j h TYR 18 Ca -0.43 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.29 1u7j h TYR 18 Cb 2.03 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 39.80 1u7j h TYR 18 CO 0.04 -0.03 -0.21 0.07 -1.05 0.00 0.00 178.16 176.97 1u7j h ARG 19 N 0.11 0.46 -0.02 4.88 0.11 -1.62 -1.34 114.38 116.97 1u7j h ARG 19 Ca 0.15 -0.16 -0.06 0.00 0.10 0.00 0.00 59.98 60.01 1u7j h ARG 19 Cb 0.18 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1u7j h ARG 19 CO -0.23 0.65 -0.23 1.49 0.10 0.00 0.00 179.97 181.76 1u7j h GLU 20 N 0.41 0.19 -0.74 0.08 4.57 -1.44 -3.10 114.58 114.55 1u7j h GLU 20 Ca 0.07 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1u7j h GLU 20 Cb 0.61 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.19 1u7j h GLU 20 CO 0.04 0.87 0.47 0.00 -1.18 0.00 0.00 179.01 179.21 1u7j h ALA 21 N 0.32 0.97 -0.80 2.92 0.00 -0.93 -2.91 119.26 118.82 1u7j h ALA 21 Ca -0.02 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1u7j h ALA 21 Cb 0.94 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1u7j h ALA 21 CO 0.05 0.26 0.41 1.03 0.00 0.00 0.00 179.25 180.99 1u7j h SER 22 N 0.91 0.50 -0.09 0.00 0.87 -1.26 0.13 113.55 114.62 1u7j h SER 22 Ca 0.30 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.96 1u7j h SER 22 Cb 0.02 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1u7j h SER 22 CO -0.11 0.24 0.08 -0.08 -0.53 0.00 0.00 176.83 176.43 1u7j h GLU 23 N 0.62 0.00 0.00 2.24 4.81 -1.43 -0.60 114.58 120.22 1u7j h GLU 23 Ca 0.42 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.38 1u7j h GLU 23 Cb 0.54 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 1u7j h GLU 23 CO -0.33 0.00 -2.02 0.54 -0.73 0.00 0.00 179.01 176.47 1u7j n ARG 24 N -3.98 0.70 0.07 1.92 1.74 -0.64 -4.66 116.66 111.80 1u7j n ARG 24 Ca -0.01 0.08 -0.14 0.00 -0.77 0.00 0.00 57.85 57.01 1u7j n ARG 24 Cb 0.19 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 1u7j n ARG 24 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u7j h VAL 25 N 0.00 1.39 0.00 1.55 2.07 -0.78 -3.48 116.25 117.00 1u7j h VAL 25 Ca -0.40 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 64.64 1u7j h VAL 25 Cb 1.68 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 1u7j h VAL 25 CO -0.05 0.74 0.00 0.61 0.02 0.00 0.00 177.57 178.90 1u7j n GLY 26 N 1.02 0.41 3.75 2.17 0.00 -0.24 -5.02 105.19 107.28 1u7j n GLY 26 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.16 7.48 0.26 1.61 1.01 -1.26 -4.99 116.67 118.61 1u7j s ASP 27 Ca 0.00 1.76 0.03 0.00 0.71 0.00 0.00 52.55 55.05 1u7j s ASP 27 Cb 0.00 -2.56 0.33 0.00 1.01 0.00 0.00 42.92 41.70 1u7j s ASP 27 CO 0.00 0.06 1.63 1.55 0.21 0.00 0.00 175.17 178.62 1u7j h PRO 28 N 4.98 0.35 0.00 8.23 0.13 -1.98 -2.79 132.00 140.93 1u7j h PRO 28 Ca -0.44 -0.19 -0.03 0.00 -0.87 0.00 0.00 66.00 64.47 1u7j h PRO 28 Cb 1.21 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1u7j h PRO 28 CO 0.70 0.74 -0.15 -0.24 -0.23 0.00 0.00 178.00 178.82 1u7j h VAL 29 N 0.29 0.66 -0.49 1.56 3.04 -1.99 -2.35 116.25 116.96 1u7j h VAL 29 Ca 0.02 -0.62 -0.05 0.00 -1.01 0.00 0.00 66.70 65.04 1u7j h VAL 29 Cb 0.91 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 31.56 1u7j h VAL 29 CO 0.08 0.14 0.12 0.25 -1.01 0.00 0.00 177.57 177.14 1u7j h LEU 30 N 0.00 0.75 -1.01 3.16 6.46 -1.91 -1.37 115.31 121.39 1u7j h LEU 30 Ca -0.00 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 1u7j h LEU 30 Cb 0.37 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 1u7j h LEU 30 CO 0.02 0.79 0.37 0.00 -0.62 0.00 0.00 178.44 179.01 1u7j h ALA 31 N 0.99 1.23 -0.01 1.25 0.00 -1.49 -2.28 119.26 118.94 1u7j h ALA 31 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1u7j h ALA 31 Cb 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u7j h ALA 31 CO 0.00 0.60 -0.18 0.87 0.00 0.00 0.00 179.25 180.54 1u7j h LYS 32 N 1.07 0.02 -0.36 0.00 1.79 -1.14 -2.89 116.57 115.07 1u7j h LYS 32 Ca 0.26 -0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.57 1u7j h LYS 32 Cb 0.09 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1u7j h LYS 32 CO -0.04 0.20 -0.39 0.82 -1.08 0.00 0.00 179.45 178.97 1u7j h ILE 33 N 0.02 1.28 0.00 1.86 2.04 -0.67 -1.87 117.51 120.17 1u7j h ILE 33 Ca 0.00 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.27 1u7j h ILE 33 Cb 0.33 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1u7j h ILE 33 CO 0.02 0.52 -0.13 0.17 0.00 0.00 0.00 178.15 178.73 1u7j h LEU 34 N 0.70 0.00 -0.41 1.44 8.10 -1.33 -1.05 115.31 122.74 1u7j h LEU 34 Ca 0.05 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.90 1u7j h LEU 34 Cb 0.98 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.19 1u7j h LEU 34 CO 0.09 0.13 -0.32 -0.33 -4.11 0.00 0.00 178.44 173.91 1u7j h GLU 35 N 0.00 0.95 -0.17 0.17 4.39 -1.30 -2.82 114.58 115.80 1u7j h GLU 35 Ca -0.00 -0.46 -0.09 0.00 0.34 0.00 0.00 59.36 59.15 1u7j h GLU 35 Cb 0.25 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1u7j h GLU 35 CO 0.02 1.12 -0.23 -0.44 -1.16 0.00 0.00 179.01 178.32 1u7j h ASP 36 N 0.78 0.49 0.28 1.42 3.32 -0.79 -2.88 116.42 119.04 1u7j h ASP 36 Ca 0.08 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1u7j h ASP 36 Cb 0.90 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1u7j h ASP 36 CO 0.08 0.91 0.00 -0.62 -1.72 0.00 0.00 179.24 177.89 1u7j n GLU 37 N -4.44 0.08 0.03 3.56 -0.58 -0.45 -3.12 120.64 115.71 1u7j n GLU 37 Ca -0.06 0.46 -0.13 0.00 -0.42 0.00 0.00 57.16 57.01 1u7j n GLU 37 Cb 0.42 -1.70 -0.09 0.00 -0.57 0.00 0.00 31.44 29.50 1u7j n GLU 37 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1u7j h GLU 38 N 0.00 -0.09 -0.53 3.49 4.22 -1.26 -3.21 114.58 117.20 1u7j h GLU 38 Ca 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1u7j h GLU 38 Cb 0.14 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1u7j h GLU 38 CO 0.00 0.33 0.31 0.87 -2.18 0.00 0.00 179.01 178.34 1u7j h LYS 39 N -0.54 0.72 -0.06 1.92 6.56 -1.65 -2.48 116.57 121.04 1u7j h LYS 39 Ca -0.01 -0.06 0.02 0.00 -1.06 0.00 0.00 60.65 59.54 1u7j h LYS 39 Cb 0.46 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.96 1u7j h LYS 39 CO 0.02 0.51 0.13 0.45 -2.06 0.00 0.00 179.45 178.49 1u7j h HIS 40 N 0.73 0.00 0.08 -1.35 3.86 -1.58 -2.07 115.15 114.82 1u7j h HIS 40 Ca 0.19 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.05 1u7j h HIS 40 Cb -0.02 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 1u7j h HIS 40 CO 0.00 0.00 -1.99 -0.89 0.86 0.00 0.00 177.93 175.91 1u7j n ILE 41 N -3.38 1.68 -0.20 2.45 2.08 -0.94 -2.04 119.36 119.01 1u7j n ILE 41 Ca -0.01 -0.52 -0.07 0.00 0.56 0.00 0.00 62.75 62.70 1u7j n ILE 41 Cb 0.21 -1.74 0.03 0.00 -0.75 0.00 0.00 39.64 37.39 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1u7j h GLU 42 N -0.18 0.80 -0.14 0.38 5.08 -1.53 -1.43 114.58 117.56 1u7j h GLU 42 Ca -0.46 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 1u7j h GLU 42 Cb 1.87 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1u7j h GLU 42 CO -0.02 0.62 -0.23 -1.49 -1.00 0.00 0.00 179.01 176.89 1u7j h TRP 43 N 0.77 0.27 0.55 4.33 6.55 -1.54 -1.74 115.95 125.14 1u7j h TRP 43 Ca 0.20 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.98 1u7j h TRP 43 Cb 0.05 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.27 1u7j h TRP 43 CO -0.01 0.46 -0.44 1.25 -1.05 0.00 0.00 178.44 178.65 1u7j h LEU 44 N 0.23 -1.17 -0.87 -4.49 6.46 -0.79 -1.42 115.31 113.26 1u7j h LEU 44 Ca 0.04 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1u7j h LEU 44 Cb 0.53 0.37 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 1u7j h LEU 44 CO 0.04 -0.63 0.41 -0.08 -0.62 0.00 0.00 178.44 177.56 1u7j h GLU 45 N -0.97 1.23 -0.64 1.25 4.22 -1.24 -1.40 114.58 117.02 1u7j h GLU 45 Ca -0.06 -0.18 0.02 0.00 0.08 0.00 0.00 59.36 59.22 1u7j h GLU 45 Cb 0.82 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1u7j h GLU 45 CO -0.00 0.94 0.41 1.15 -2.18 0.00 0.00 179.01 179.33 1u7j h THR 46 N 1.21 1.11 -0.00 0.32 2.02 -1.28 -3.12 112.91 113.18 1u7j h THR 46 Ca 0.29 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1u7j h THR 46 Cb 0.11 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1u7j h THR 46 CO -0.04 0.15 -0.33 0.00 0.37 0.00 0.00 175.52 175.67 1u7j n ILE 47 N -4.68 0.00 0.67 3.11 0.13 -0.54 -3.46 119.36 114.59 1u7j n ILE 47 Ca 0.06 -0.04 0.12 0.00 -1.10 0.00 0.00 62.75 61.79 1u7j n ILE 47 Cb 0.06 0.15 0.47 0.00 -0.84 0.00 0.00 39.64 39.48 1u7j n ILE 47 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1u7j n ASN 48 N -1.23 0.37 0.00 9.51 5.15 -0.57 -5.08 115.26 123.40 1u7j n ASN 48 Ca 0.08 0.56 0.00 0.00 -0.60 0.00 0.00 54.58 54.62 1u7j n ASN 48 Cb 0.33 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27