#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 -0.56 7.83 2.03 -2.03 -3.24 116.42 120.45 1u7j h ASP 2 Ca 0.00 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 56.39 1u7j h ASP 2 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1u7j h ASP 2 CO 0.00 0.00 0.38 0.10 -1.03 0.00 0.00 179.24 178.69 1u7j h TYR 3 N 0.00 0.40 0.00 4.15 -0.00 -2.04 -3.18 116.97 116.30 1u7j h TYR 3 Ca 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 1u7j h TYR 3 Cb 0.11 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 36.71 1u7j h TYR 3 CO 0.00 0.20 0.02 1.37 -0.00 0.00 0.00 178.16 179.74 1u7j h LEU 4 N 0.38 0.00 -1.12 0.10 8.10 -1.99 -1.56 115.31 119.22 1u7j h LEU 4 Ca 0.26 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.33 1u7j h LEU 4 Cb 0.50 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.66 1u7j h LEU 4 CO -0.07 0.00 0.60 0.08 -4.11 0.00 0.00 178.44 174.95 1u7j h ARG 5 N 0.00 0.98 -0.42 0.17 0.11 -1.86 -1.45 114.38 111.90 1u7j h ARG 5 Ca 0.00 -0.06 -0.11 0.00 0.10 0.00 0.00 59.98 59.91 1u7j h ARG 5 Cb 0.04 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 30.88 1u7j h ARG 5 CO 0.00 0.65 -0.19 0.93 0.10 0.00 0.00 179.97 181.45 1u7j h GLU 6 N 1.01 0.82 -0.21 0.08 5.08 -1.56 -1.07 114.58 118.72 1u7j h GLU 6 Ca 0.42 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1u7j h GLU 6 Cb 0.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1u7j h GLU 6 CO -0.18 0.95 0.11 -0.07 -1.00 0.00 0.00 179.01 178.82 1u7j h LEU 7 N 0.72 0.27 -0.32 1.33 3.38 -1.55 -2.09 115.31 117.06 1u7j h LEU 7 Ca 0.10 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1u7j h LEU 7 Cb 0.71 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1u7j h LEU 7 CO 0.05 0.29 -0.10 0.22 0.09 0.00 0.00 178.44 178.99 1u7j h TYR 8 N 0.23 -0.23 0.00 1.13 5.03 -1.13 0.84 116.97 122.84 1u7j h TYR 8 Ca 0.07 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.42 1u7j h TYR 8 Cb 0.08 0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.51 1u7j h TYR 8 CO -0.03 -0.17 0.00 1.63 -1.32 0.00 0.00 178.16 178.27 1u7j n LYS 9 N -5.28 0.62 -0.01 1.82 5.02 -0.42 -2.24 118.16 117.66 1u7j n LYS 9 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1u7j n LYS 9 Cb 0.20 -1.12 -0.01 0.00 -0.02 0.00 0.00 35.03 34.08 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 2.71 -0.03 -0.35 4.77 -0.68 -4.56 117.00 118.23 1u7j n LEU 10 Ca 0.04 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 1u7j n LEU 10 Cb 0.02 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 1u7j n LEU 10 CO 0.03 0.47 0.53 -0.33 -1.33 0.00 0.00 177.39 176.76 1u7j h GLU 11 N -0.01 0.20 -0.43 3.23 4.39 -0.70 -1.01 114.58 120.26 1u7j h GLU 11 Ca -0.03 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 1u7j h GLU 11 Cb 1.05 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1u7j h GLU 11 CO -0.01 0.75 -0.00 1.96 -1.16 0.00 0.00 179.01 180.55 1u7j h GLN 12 N -0.31 0.69 -0.77 2.33 1.08 -1.69 -1.81 115.11 114.64 1u7j h GLN 12 Ca -0.00 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1u7j h GLN 12 Cb 0.76 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.07 1u7j h GLN 12 CO 0.03 0.71 0.39 1.96 -0.95 0.00 0.00 178.83 180.97 1u7j h GLN 13 N 0.65 1.09 -0.27 1.46 1.08 -1.73 -2.04 115.11 115.36 1u7j h GLN 13 Ca 0.13 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1u7j h GLN 13 Cb 0.41 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1u7j h GLN 13 CO 0.02 0.84 -0.06 0.00 -0.95 0.00 0.00 178.83 178.68 1u7j h ALA 14 N 1.20 0.37 -0.92 3.87 0.00 -0.97 -3.22 119.26 119.59 1u7j h ALA 14 Ca 0.27 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1u7j h ALA 14 Cb 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1u7j h ALA 14 CO -0.04 0.17 0.59 0.52 0.00 0.00 0.00 179.25 180.50 1u7j h MET 15 N 0.27 0.92 -0.97 0.00 2.86 -1.15 -1.51 114.93 115.33 1u7j h MET 15 Ca 0.07 -0.06 0.24 0.00 -2.06 0.00 0.00 59.70 57.89 1u7j h MET 15 Cb 0.53 -0.21 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 1u7j h MET 15 CO 0.03 0.61 0.64 -0.22 1.06 0.00 0.00 176.91 179.03 1u7j h LYS 16 N 0.94 0.35 0.04 1.72 3.11 -1.38 -2.70 116.57 118.65 1u7j h LYS 16 Ca 0.42 -0.02 -0.38 0.00 -2.81 0.00 0.00 60.65 57.86 1u7j h LYS 16 Cb 0.37 -0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.47 1u7j h LYS 16 CO -0.18 0.23 -2.33 1.28 -2.81 0.00 0.00 179.45 175.64 1u7j n LEU 17 N -4.52 2.83 -0.13 5.20 4.77 -0.64 -3.74 117.00 120.77 1u7j n LEU 17 Ca 0.22 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 56.14 1u7j n LEU 17 Cb 0.81 -0.97 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1u7j n LEU 17 CO 0.30 0.89 0.93 1.88 -1.33 0.00 0.00 177.39 180.06 1u7j h TYR 18 N -0.03 0.19 -0.06 -1.77 0.05 -1.32 -0.07 116.97 113.97 1u7j h TYR 18 Ca -0.54 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.19 1u7j h TYR 18 Cb 1.92 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.63 1u7j h TYR 18 CO 0.04 0.05 -0.30 0.07 -1.05 0.00 0.00 178.16 176.97 1u7j h ARG 19 N 0.26 0.11 0.01 4.88 0.11 -1.67 -1.11 114.38 116.97 1u7j h ARG 19 Ca 0.20 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.25 1u7j h ARG 19 Cb 0.23 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1u7j h ARG 19 CO -0.24 0.40 -0.01 1.49 0.10 0.00 0.00 179.97 181.71 1u7j h GLU 20 N 0.10 -0.02 0.00 0.08 4.81 -1.51 -3.31 114.58 114.73 1u7j h GLU 20 Ca 0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1u7j h GLU 20 Cb 0.58 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1u7j h GLU 20 CO 0.04 0.65 -0.29 0.00 -0.73 0.00 0.00 179.01 178.69 1u7j h ALA 21 N 0.23 1.52 -0.59 2.92 0.00 -1.02 -3.33 119.26 118.99 1u7j h ALA 21 Ca -0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.76 1u7j h ALA 21 Cb 0.68 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1u7j h ALA 21 CO 0.00 0.36 0.05 1.03 0.00 0.00 0.00 179.25 180.70 1u7j h SER 22 N 0.00 -0.16 0.18 0.00 0.87 -1.28 0.74 113.55 113.90 1u7j h SER 22 Ca -0.00 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 1u7j h SER 22 Cb 0.52 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1u7j h SER 22 CO 0.04 -0.06 -0.35 -0.08 -0.53 0.00 0.00 176.83 175.85 1u7j h GLU 23 N 0.17 0.25 0.00 2.24 4.81 -1.76 0.15 114.58 120.44 1u7j h GLU 23 Ca 0.31 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1u7j h GLU 23 Cb 0.49 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1u7j h GLU 23 CO -0.46 0.57 -0.78 0.00 -0.73 0.00 0.00 179.01 177.60 1u7j h ARG 24 N 0.21 0.00 0.02 1.92 3.08 -1.45 -3.39 114.38 114.78 1u7j h ARG 24 Ca 0.03 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.68 1u7j h ARG 24 Cb 0.72 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.71 1u7j h ARG 24 CO 0.05 0.46 -2.36 0.28 -1.07 0.00 0.00 179.97 177.34 1u7j n VAL 25 N -3.13 1.55 -1.07 2.04 0.31 0.15 -5.03 118.33 113.14 1u7j n VAL 25 Ca -0.01 -0.53 -0.02 0.00 -0.01 0.00 0.00 64.34 63.76 1u7j n VAL 25 Cb 0.77 -1.58 -0.01 0.00 -0.91 0.00 0.00 33.84 32.11 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 2.01 0.52 3.79 2.92 0.00 0.03 -5.03 105.19 109.43 1u7j n GLY 26 Ca -0.45 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.28 7.22 0.31 1.61 1.01 -1.26 -5.01 116.67 118.27 1u7j s ASP 27 Ca 0.00 1.44 0.12 0.00 0.71 0.00 0.00 52.55 54.82 1u7j s ASP 27 Cb 0.00 -2.43 0.50 0.00 1.01 0.00 0.00 42.92 42.01 1u7j s ASP 27 CO 0.00 0.24 1.69 1.55 0.21 0.00 0.00 175.17 178.86 1u7j h PRO 28 N 4.48 0.00 -0.14 8.23 0.13 -1.98 -2.84 132.00 139.88 1u7j h PRO 28 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1u7j h PRO 28 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1u7j h PRO 28 CO 0.65 0.52 -0.20 -0.24 -0.23 0.00 0.00 178.00 178.49 1u7j h VAL 29 N 0.00 1.21 -0.47 1.56 3.04 -1.98 -0.69 116.25 118.92 1u7j h VAL 29 Ca -0.01 -0.98 -0.03 0.00 -1.01 0.00 0.00 66.70 64.68 1u7j h VAL 29 Cb 0.94 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 31.54 1u7j h VAL 29 CO 0.07 0.30 0.19 0.25 -1.01 0.00 0.00 177.57 177.36 1u7j h LEU 30 N 0.22 0.65 -0.78 3.16 6.46 -1.93 -1.66 115.31 121.43 1u7j h LEU 30 Ca 0.04 -0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.57 1u7j h LEU 30 Cb 0.49 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1u7j h LEU 30 CO 0.03 0.64 0.27 0.00 -0.62 0.00 0.00 178.44 178.77 1u7j h ALA 31 N 1.03 1.01 -0.32 1.25 0.00 -1.44 -2.89 119.26 117.91 1u7j h ALA 31 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u7j h ALA 31 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1u7j h ALA 31 CO -0.01 0.67 0.18 -0.22 0.00 0.00 0.00 179.25 179.88 1u7j h LYS 32 N 1.14 0.42 -0.18 0.00 1.63 -0.85 -2.57 116.57 116.17 1u7j h LYS 32 Ca 0.25 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.95 1u7j h LYS 32 Cb 0.27 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1u7j h LYS 32 CO -0.01 0.30 -0.22 0.82 -3.45 0.00 0.00 179.45 176.88 1u7j h ILE 33 N 0.43 1.24 -0.78 2.00 2.04 -1.08 -2.98 117.51 118.38 1u7j h ILE 33 Ca 0.11 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1u7j h ILE 33 Cb -0.01 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1u7j h ILE 33 CO -0.02 0.34 0.51 -0.07 0.00 0.00 0.00 178.15 178.91 1u7j h LEU 34 N 0.29 0.90 -0.76 1.44 3.38 -1.47 -0.80 115.31 118.29 1u7j h LEU 34 Ca 0.05 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1u7j h LEU 34 Cb 0.56 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1u7j h LEU 34 CO 0.04 0.66 0.26 -0.33 0.09 0.00 0.00 178.44 179.16 1u7j h GLU 35 N 1.06 1.17 0.44 1.13 4.39 -1.61 -1.88 114.58 119.28 1u7j h GLU 35 Ca 0.29 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1u7j h GLU 35 Cb -0.11 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.37 1u7j h GLU 35 CO -0.06 0.98 -0.21 -0.44 -1.16 0.00 0.00 179.01 178.12 1u7j h ASP 36 N 1.13 -0.50 0.26 1.42 3.32 -1.33 -3.21 116.42 117.51 1u7j h ASP 36 Ca 0.25 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1u7j h ASP 36 Cb 0.28 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1u7j h ASP 36 CO -0.01 -0.14 -0.13 -0.33 -1.72 0.00 0.00 179.24 176.90 1u7j h GLU 37 N -0.90 0.00 0.36 3.56 4.39 -1.19 -1.67 114.58 119.12 1u7j h GLU 37 Ca -0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1u7j h GLU 37 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1u7j h GLU 37 CO 0.10 0.13 -0.17 0.93 -1.16 0.00 0.00 179.01 178.84 1u7j h GLU 38 N 0.00 -0.47 -0.24 2.33 4.39 -1.40 -2.88 114.58 116.31 1u7j h GLU 38 Ca -0.00 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 1u7j h GLU 38 Cb 0.30 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1u7j h GLU 38 CO 0.02 -0.30 -0.24 0.87 -1.16 0.00 0.00 179.01 178.20 1u7j h LYS 39 N -0.50 0.45 -0.92 2.33 6.56 -1.46 -2.89 116.57 120.15 1u7j h LYS 39 Ca -0.05 -0.16 0.12 0.00 -1.06 0.00 0.00 60.65 59.50 1u7j h LYS 39 Cb 0.38 -0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 31.92 1u7j h LYS 39 CO 0.08 0.66 0.55 0.45 -2.06 0.00 0.00 179.45 179.13 1u7j h HIS 40 N 0.40 0.98 0.00 -1.35 3.86 -1.24 -0.23 115.15 117.59 1u7j h HIS 40 Ca 0.06 0.03 -0.26 0.00 -1.16 0.00 0.00 60.37 59.04 1u7j h HIS 40 Cb 0.64 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 1u7j h HIS 40 CO 0.02 0.35 -1.43 0.97 0.86 0.00 0.00 177.93 178.70 1u7j h ILE 41 N 0.85 1.19 -0.22 2.45 -0.00 -1.45 0.12 117.51 120.44 1u7j h ILE 41 Ca 0.47 -2.99 -0.02 0.00 -0.00 0.00 0.00 64.86 62.32 1u7j h ILE 41 Cb 0.52 2.59 -0.01 0.00 -0.00 0.00 0.00 36.82 39.91 1u7j h ILE 41 CO -0.29 0.68 0.07 -0.08 -0.00 0.00 0.00 178.15 178.53 1u7j h GLU 42 N 0.00 0.34 -0.28 2.19 4.57 -1.32 -2.37 114.58 117.71 1u7j h GLU 42 Ca -0.18 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 57.88 1u7j h GLU 42 Cb 1.92 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 30.44 1u7j h GLU 42 CO 0.10 0.43 -0.04 -1.49 -1.18 0.00 0.00 179.01 176.83 1u7j h TRP 43 N 0.19 0.46 0.03 0.92 6.55 -1.04 -2.18 115.95 120.89 1u7j h TRP 43 Ca 0.07 -0.05 0.01 0.00 0.95 0.00 0.00 58.89 59.87 1u7j h TRP 43 Cb 0.23 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 28.38 1u7j h TRP 43 CO 0.00 0.49 -0.08 1.25 -1.05 0.00 0.00 178.44 179.05 1u7j h LEU 44 N 0.43 -0.24 -0.64 -4.49 6.46 -0.55 0.59 115.31 116.88 1u7j h LEU 44 Ca 0.09 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1u7j h LEU 44 Cb 0.35 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 1u7j h LEU 44 CO 0.01 -0.13 0.38 -0.08 -0.62 0.00 0.00 178.44 178.01 1u7j h GLU 45 N -0.16 0.87 -0.56 1.25 4.81 -1.40 -2.49 114.58 116.89 1u7j h GLU 45 Ca 0.02 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1u7j h GLU 45 Cb 0.19 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1u7j h GLU 45 CO -0.06 0.62 0.37 1.15 -0.73 0.00 0.00 179.01 180.36 1u7j h THR 46 N 0.87 0.99 0.00 0.32 2.02 -1.03 -1.68 112.91 114.39 1u7j h THR 46 Ca 0.23 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1u7j h THR 46 Cb -0.02 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1u7j h THR 46 CO -0.04 0.09 0.00 -0.38 0.37 0.00 0.00 175.52 175.56 1u7j n ILE 47 N -4.47 1.48 0.79 3.11 -0.00 0.17 -1.70 119.36 118.73 1u7j n ILE 47 Ca 0.08 0.37 0.08 0.00 -0.00 0.00 0.00 62.75 63.28 1u7j n ILE 47 Cb 0.24 -1.25 -0.07 0.00 -0.00 0.00 0.00 39.64 38.57 1u7j n ILE 47 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1u7j n ASN 48 N -1.49 1.03 0.00 4.38 5.15 -0.63 -4.70 115.26 119.00 1u7j n ASN 48 Ca 0.02 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1u7j n ASN 48 Cb 0.08 0.86 0.00 0.00 -0.53 0.00 0.00 39.78 40.20 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27