#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 -0.02 0.00 7.83 3.32 -2.08 -3.47 116.42 121.99 1u7j h ASP 2 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1u7j h ASP 2 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1u7j h ASP 2 CO 0.00 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1u7j n TYR 3 N -5.03 -2.78 0.59 4.55 9.36 -1.26 -5.05 117.16 117.54 1u7j n TYR 3 Ca -0.08 0.47 0.13 0.00 3.32 0.00 0.00 57.90 61.74 1u7j n TYR 3 Cb 0.10 1.45 0.42 0.00 -0.63 0.00 0.00 39.34 40.68 1u7j n TYR 3 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1u7j n LEU 4 N -2.87 0.81 0.14 2.98 -0.00 -1.26 -3.48 117.00 113.33 1u7j n LEU 4 Ca 0.00 0.59 0.02 0.00 -0.00 0.00 0.00 56.01 56.62 1u7j n LEU 4 Cb 0.00 -0.35 0.35 0.00 -0.00 0.00 0.00 43.42 43.42 1u7j n LEU 4 CO 0.00 -0.24 0.78 -0.09 -0.00 0.00 0.00 177.39 177.84 1u7j h ARG 5 N 0.00 0.14 -0.76 1.47 2.43 -1.96 -1.75 114.38 113.94 1u7j h ARG 5 Ca 0.00 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1u7j h ARG 5 Cb 0.69 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1u7j h ARG 5 CO 0.00 0.41 0.29 0.93 -1.51 0.00 0.00 179.97 180.09 1u7j h GLU 6 N 0.12 1.16 -0.18 0.20 5.08 -1.96 -0.71 114.58 118.28 1u7j h GLU 6 Ca 0.02 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1u7j h GLU 6 Cb 0.57 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1u7j h GLU 6 CO 0.04 0.95 0.01 -0.07 -1.00 0.00 0.00 179.01 178.94 1u7j h LEU 7 N 1.12 0.31 -0.33 1.33 4.07 -1.63 -1.99 115.31 118.19 1u7j h LEU 7 Ca 0.25 -0.30 0.07 0.00 0.08 0.00 0.00 57.88 57.99 1u7j h LEU 7 Cb 0.24 -0.08 -0.08 0.00 1.08 0.00 0.00 40.66 41.82 1u7j h LEU 7 CO -0.02 0.53 -0.19 0.22 -1.08 0.00 0.00 178.44 177.91 1u7j h TYR 8 N 0.08 -0.48 0.00 1.13 5.03 -1.28 0.95 116.97 122.40 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 0.37 0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.91 1u7j h TYR 8 CO 0.03 -0.27 0.00 1.63 -1.32 0.00 0.00 178.16 178.23 1u7j n LYS 9 N -5.36 0.57 -0.07 1.82 4.01 -0.28 -2.11 118.16 116.75 1u7j n LYS 9 Ca 0.01 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.69 1u7j n LYS 9 Cb 0.27 -1.28 -0.06 0.00 -0.51 0.00 0.00 35.03 33.44 1u7j n LYS 9 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1u7j n LEU 10 N -0.78 2.51 -0.06 -0.35 4.77 -0.65 -4.39 117.00 118.05 1u7j n LEU 10 Ca 0.08 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1u7j n LEU 10 Cb 0.04 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 1u7j n LEU 10 CO 0.06 0.64 0.69 -0.33 -1.33 0.00 0.00 177.39 177.11 1u7j h GLU 11 N -0.14 0.34 -0.04 3.23 4.39 -0.64 -0.59 114.58 121.13 1u7j h GLU 11 Ca -0.34 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.09 1u7j h GLU 11 Cb 1.46 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 1u7j h GLU 11 CO -0.10 0.62 -0.60 1.96 -1.16 0.00 0.00 179.01 179.73 1u7j h GLN 12 N 0.03 0.15 -0.62 2.33 1.08 -1.68 -0.84 115.11 115.56 1u7j h GLN 12 Ca 0.04 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1u7j h GLN 12 Cb 0.51 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1u7j h GLN 12 CO 0.02 0.70 0.38 1.96 -0.95 0.00 0.00 178.83 180.95 1u7j h GLN 13 N 0.11 0.84 -0.31 1.46 4.20 -1.74 -2.03 115.11 117.65 1u7j h GLN 13 Ca -0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1u7j h GLN 13 Cb 1.09 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1u7j h GLN 13 CO 0.09 0.60 0.08 0.00 -0.67 0.00 0.00 178.83 178.93 1u7j h ALA 14 N 1.20 0.40 -0.78 3.87 0.00 -0.93 -3.25 119.26 119.77 1u7j h ALA 14 Ca 0.22 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1u7j h ALA 14 Cb -0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1u7j h ALA 14 CO -0.04 0.05 0.43 0.52 0.00 0.00 0.00 179.25 180.21 1u7j h MET 15 N 0.33 0.72 -0.94 0.00 2.86 -0.88 0.52 114.93 117.54 1u7j h MET 15 Ca 0.10 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.83 1u7j h MET 15 Cb 0.27 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 31.69 1u7j h MET 15 CO -0.00 0.48 0.60 0.87 1.06 0.00 0.00 176.91 179.91 1u7j h LYS 16 N 0.74 0.78 0.19 1.72 1.57 -1.40 -0.96 116.57 119.21 1u7j h LYS 16 Ca 0.37 -0.05 -0.35 0.00 -1.87 0.00 0.00 60.65 58.76 1u7j h LYS 16 Cb 0.33 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1u7j h LYS 16 CO -0.24 0.52 -1.74 -0.07 -0.57 0.00 0.00 179.45 177.35 1u7j h LEU 17 N 0.80 0.63 -0.88 2.94 3.38 -1.38 -3.12 115.31 117.68 1u7j h LEU 17 Ca 0.48 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1u7j h LEU 17 Cb 0.66 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1u7j h LEU 17 CO -0.24 1.79 0.48 1.88 0.09 0.00 0.00 178.44 182.43 1u7j h TYR 18 N 0.10 1.22 -0.05 1.13 0.05 -0.74 -0.10 116.97 118.57 1u7j h TYR 18 Ca -0.34 -0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.26 1u7j h TYR 18 Cb 2.10 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 39.44 1u7j h TYR 18 CO 0.10 0.85 -0.62 0.07 -1.05 0.00 0.00 178.16 177.51 1u7j h ARG 19 N 1.24 0.19 0.18 4.88 -0.00 -1.30 -0.14 114.38 119.43 1u7j h ARG 19 Ca 0.31 -0.14 -0.01 0.00 -0.00 0.00 0.00 59.98 60.14 1u7j h ARG 19 Cb 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.03 1u7j h ARG 19 CO -0.05 0.75 -0.09 1.49 -0.00 0.00 0.00 179.97 182.08 1u7j h GLU 20 N 0.14 -0.24 -0.60 0.08 4.22 -1.40 -1.58 114.58 115.20 1u7j h GLU 20 Ca -0.01 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.50 1u7j h GLU 20 Cb 1.13 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1u7j h GLU 20 CO 0.09 0.01 0.32 0.00 -2.18 0.00 0.00 179.01 177.25 1u7j h ALA 21 N 0.31 0.79 -0.21 2.92 0.00 -1.01 -0.07 119.26 121.99 1u7j h ALA 21 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u7j h ALA 21 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1u7j h ALA 21 CO 0.04 -0.01 0.13 1.03 0.00 0.00 0.00 179.25 180.44 1u7j h SER 22 N 0.61 0.24 -0.90 0.00 0.87 -0.98 -0.06 113.55 113.33 1u7j h SER 22 Ca 0.27 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1u7j h SER 22 Cb 0.16 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1u7j h SER 22 CO -0.17 0.19 0.52 -0.08 -0.53 0.00 0.00 176.83 176.76 1u7j h GLU 23 N 0.27 1.24 -0.04 2.24 4.22 -1.00 -0.08 114.58 121.43 1u7j h GLU 23 Ca 0.08 -0.13 -0.16 0.00 0.08 0.00 0.00 59.36 59.23 1u7j h GLU 23 Cb -0.02 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1u7j h GLU 23 CO -0.02 0.88 -0.69 -0.09 -2.18 0.00 0.00 179.01 176.92 1u7j h ARG 24 N 1.25 0.17 0.00 1.92 9.65 -0.72 -3.39 114.38 123.26 1u7j h ARG 24 Ca 0.32 -0.14 -0.13 0.00 -1.10 0.00 0.00 59.98 58.93 1u7j h ARG 24 Cb -0.02 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1u7j h ARG 24 CO -0.06 0.80 -1.50 0.28 2.80 0.00 0.00 179.97 182.29 1u7j n VAL 25 N -3.79 0.50 -0.95 0.20 0.31 -0.06 -5.05 118.33 109.50 1u7j n VAL 25 Ca -0.02 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1u7j n VAL 25 Cb 0.68 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 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 2.77 0.77 3.77 2.92 0.00 -0.05 -5.03 105.19 110.35 1u7j n GLY 26 Ca -0.13 0.00 -0.40 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 -2.68 6.46 0.20 1.61 1.01 -1.26 -4.96 116.67 117.04 1u7j s ASP 27 Ca 0.00 2.82 -0.04 0.00 0.71 0.00 0.00 52.55 56.04 1u7j s ASP 27 Cb 0.00 -2.65 0.13 0.00 1.01 0.00 0.00 42.92 41.41 1u7j s ASP 27 CO 0.00 -0.76 1.54 1.55 0.21 0.00 0.00 175.17 177.71 1u7j h PRO 28 N 3.02 0.64 0.00 8.23 0.13 -1.98 -2.96 132.00 139.08 1u7j h PRO 28 Ca -0.50 -0.35 -0.04 0.00 -0.87 0.00 0.00 66.00 64.24 1u7j h PRO 28 Cb 1.24 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1u7j h PRO 28 CO 0.64 0.95 -0.18 -0.24 -0.23 0.00 0.00 178.00 178.94 1u7j h VAL 29 N 0.52 0.93 -0.55 1.56 3.04 -1.99 -1.40 116.25 118.35 1u7j h VAL 29 Ca 0.04 -0.67 -0.06 0.00 -1.01 0.00 0.00 66.70 65.00 1u7j h VAL 29 Cb 0.97 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.61 1u7j h VAL 29 CO 0.09 0.18 0.12 -0.07 -1.01 0.00 0.00 177.57 176.87 1u7j h LEU 30 N 0.00 0.80 -0.73 3.16 3.38 -1.92 -2.37 115.31 117.63 1u7j h LEU 30 Ca -0.00 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 1u7j h LEU 30 Cb 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1u7j h LEU 30 CO 0.02 0.80 -0.61 0.00 0.09 0.00 0.00 178.44 178.74 1u7j h ALA 31 N 1.31 0.93 -0.59 1.53 0.00 -1.30 -3.15 119.26 117.98 1u7j h ALA 31 Ca 0.18 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1u7j h ALA 31 Cb 0.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1u7j h ALA 31 CO 0.00 0.75 0.25 0.87 0.00 0.00 0.00 179.25 181.12 1u7j h LYS 32 N 0.07 0.85 -0.86 0.00 1.79 -0.94 -1.87 116.57 115.61 1u7j h LYS 32 Ca -0.01 -0.12 0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1u7j h LYS 32 Cb 1.09 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.53 1u7j h LYS 32 CO 0.09 0.69 0.55 0.82 -1.08 0.00 0.00 179.45 180.51 1u7j h ILE 33 N 0.84 1.08 -0.83 1.86 2.04 -1.40 -1.60 117.51 119.51 1u7j h ILE 33 Ca 0.20 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1u7j h ILE 33 Cb 0.15 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 1u7j h ILE 33 CO -0.02 0.19 0.40 -0.07 0.00 0.00 0.00 178.15 178.64 1u7j h LEU 34 N 1.02 1.08 -0.79 1.44 3.38 -1.35 -0.88 115.31 119.22 1u7j h LEU 34 Ca 0.36 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1u7j h LEU 34 Cb 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1u7j h LEU 34 CO -0.15 0.91 0.37 -0.33 0.09 0.00 0.00 178.44 179.33 1u7j h GLU 35 N 1.17 1.14 0.10 1.13 4.39 -1.12 -2.60 114.58 118.81 1u7j h GLU 35 Ca 0.28 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1u7j h GLU 35 Cb 0.12 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1u7j h GLU 35 CO -0.04 0.89 -0.05 -0.44 -1.16 0.00 0.00 179.01 178.22 1u7j h ASP 36 N 1.12 -0.12 0.28 1.42 3.32 -0.87 -3.27 116.42 118.30 1u7j h ASP 36 Ca 0.27 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 1u7j h ASP 36 Cb 0.14 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1u7j h ASP 36 CO -0.03 0.38 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.41 1u7j h GLU 37 N -0.65 0.00 -0.92 3.56 4.39 -1.23 -2.27 114.58 117.47 1u7j h GLU 37 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1u7j h GLU 37 Cb 0.51 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1u7j h GLU 37 CO 0.02 0.13 0.51 0.93 -1.16 0.00 0.00 179.01 179.45 1u7j h GLU 38 N 0.00 1.27 -0.62 2.33 5.08 -1.51 -2.48 114.58 118.65 1u7j h GLU 38 Ca -0.00 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1u7j h GLU 38 Cb 0.31 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1u7j h GLU 38 CO 0.02 0.92 0.02 0.87 -1.00 0.00 0.00 179.01 179.83 1u7j h LYS 39 N 1.28 1.08 -0.68 2.33 6.56 -1.47 -3.25 116.57 122.42 1u7j h LYS 39 Ca 0.32 -0.33 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1u7j h LYS 39 Cb 0.01 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.53 1u7j h LYS 39 CO -0.05 1.04 0.43 0.45 -2.06 0.00 0.00 179.45 179.26 1u7j h HIS 40 N 0.99 0.87 -0.02 -1.35 3.86 -1.18 -0.36 115.15 117.95 1u7j h HIS 40 Ca 0.18 0.01 -0.26 0.00 -1.16 0.00 0.00 60.37 59.14 1u7j h HIS 40 Cb 0.54 -0.29 0.02 0.00 1.06 0.00 0.00 27.41 28.74 1u7j h HIS 40 CO 0.04 0.56 -1.00 0.82 0.86 0.00 0.00 177.93 179.20 1u7j h ILE 41 N 0.92 1.28 -0.51 2.45 1.08 -1.61 0.23 117.51 121.36 1u7j h ILE 41 Ca 0.25 -2.20 -0.01 0.00 -0.39 0.00 0.00 64.86 62.51 1u7j h ILE 41 Cb -0.08 2.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 1u7j h ILE 41 CO -0.05 0.68 0.29 -0.33 -0.69 0.00 0.00 178.15 178.05 1u7j h GLU 42 N 0.42 0.70 -0.41 2.37 4.39 -1.51 -1.36 114.58 119.17 1u7j h GLU 42 Ca -0.12 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 1u7j h GLU 42 Cb 1.65 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1u7j h GLU 42 CO 0.20 0.53 0.02 -1.49 -1.16 0.00 0.00 179.01 177.11 1u7j h TRP 43 N 0.67 0.67 -0.16 4.33 6.55 -1.06 -0.81 115.95 126.15 1u7j h TRP 43 Ca 0.18 -0.07 0.03 0.00 0.95 0.00 0.00 58.89 59.98 1u7j h TRP 43 Cb 0.03 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.10 1u7j h TRP 43 CO -0.02 0.63 -0.03 1.25 -1.05 0.00 0.00 178.44 179.22 1u7j h LEU 44 N 0.61 -0.12 -0.33 -4.49 6.46 0.11 -0.57 115.31 116.97 1u7j h LEU 44 Ca 0.13 0.04 -0.19 0.00 -0.12 0.00 0.00 57.88 57.74 1u7j h LEU 44 Cb 0.36 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1u7j h LEU 44 CO 0.01 -0.04 -0.66 -0.08 -0.62 0.00 0.00 178.44 177.05 1u7j h GLU 45 N 0.01 0.67 -0.96 1.25 4.81 -1.24 -3.18 114.58 115.94 1u7j h GLU 45 Ca 0.07 -0.49 0.04 0.00 -0.13 0.00 0.00 59.36 58.86 1u7j h GLU 45 Cb 0.11 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 1u7j h GLU 45 CO -0.15 1.11 0.63 1.15 -0.73 0.00 0.00 179.01 181.01 1u7j h THR 46 N 0.49 1.15 0.00 0.32 2.02 -0.94 -0.88 112.91 115.06 1u7j h THR 46 Ca -0.02 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1u7j h THR 46 Cb 1.25 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1u7j h THR 46 CO 0.13 0.22 0.01 -0.38 0.37 0.00 0.00 175.52 175.87 1u7j n ILE 47 N -4.48 1.55 -0.05 3.11 2.08 -0.24 -1.92 119.36 119.41 1u7j n ILE 47 Ca 0.13 0.40 0.00 0.00 0.56 0.00 0.00 62.75 63.84 1u7j n ILE 47 Cb 0.11 -1.40 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 1u7j n ILE 47 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1u7j n ASN 48 N -1.39 0.63 0.00 4.38 5.15 -0.39 -5.11 115.26 118.54 1u7j n ASN 48 Ca 0.00 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 1u7j n ASN 48 Cb 0.01 0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27