#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 -2.24 -3.32 7.83 2.03 -1.26 -3.54 116.55 116.05 1u7j n ASP 2 Ca 0.00 0.20 -0.19 0.00 0.52 0.00 0.00 54.79 55.31 1u7j n ASP 2 Cb 0.00 -2.23 -0.03 0.00 -0.72 0.00 0.00 41.12 38.15 1u7j n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u7j n TYR 3 N -1.51 -1.66 0.31 -0.67 0.18 -1.26 -4.79 117.16 107.76 1u7j n TYR 3 Ca -0.08 0.32 0.18 0.00 1.88 0.00 0.00 57.90 60.20 1u7j n TYR 3 Cb 0.27 -1.85 1.02 0.00 -0.38 0.00 0.00 39.34 38.40 1u7j n TYR 3 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1u7j h LEU 4 N -0.50 0.00 -1.33 -3.48 4.07 -2.00 -2.32 115.31 109.75 1u7j h LEU 4 Ca -0.30 0.00 0.12 0.00 0.08 0.00 0.00 57.88 57.78 1u7j h LEU 4 Cb 1.20 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.88 1u7j h LEU 4 CO 0.42 0.01 0.54 0.03 -1.08 0.00 0.00 178.44 178.37 1u7j h ARG 5 N 0.00 0.68 0.00 1.13 3.08 -1.93 -1.00 114.38 116.34 1u7j h ARG 5 Ca -0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1u7j h ARG 5 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1u7j h ARG 5 CO 0.00 0.45 -0.28 0.93 -1.07 0.00 0.00 179.97 180.00 1u7j h GLU 6 N 0.70 0.00 -0.01 0.04 5.08 -1.78 -0.42 114.58 118.19 1u7j h GLU 6 Ca 0.40 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1u7j h GLU 6 Cb 0.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1u7j h GLU 6 CO -0.17 0.28 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.76 1u7j h LEU 7 N 0.00 0.28 -0.60 1.33 4.07 -1.41 -2.98 115.31 115.99 1u7j h LEU 7 Ca -0.00 -0.75 0.12 0.00 0.08 0.00 0.00 57.88 57.33 1u7j h LEU 7 Cb 0.52 -0.08 -0.11 0.00 1.08 0.00 0.00 40.66 42.06 1u7j h LEU 7 CO 0.04 0.99 -0.09 0.22 -1.08 0.00 0.00 178.44 178.51 1u7j h TYR 8 N -0.41 -0.21 0.00 1.13 5.03 -1.21 0.34 116.97 121.64 1u7j h TYR 8 Ca -0.03 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1u7j h TYR 8 Cb 1.03 0.19 0.00 0.00 1.55 0.00 0.00 36.73 39.49 1u7j h TYR 8 CO 0.17 -0.22 0.00 1.63 -1.32 0.00 0.00 178.16 178.41 1u7j n LYS 9 N -5.36 0.49 -0.03 1.82 5.02 -0.18 -1.39 118.16 118.53 1u7j n LYS 9 Ca 0.07 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.32 1u7j n LYS 9 Cb 0.33 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.75 2.43 -0.05 -0.35 4.77 -0.55 -4.45 117.00 118.05 1u7j n LEU 10 Ca 0.06 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 1u7j n LEU 10 Cb 0.03 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1u7j n LEU 10 CO 0.04 0.49 0.43 -0.33 -1.33 0.00 0.00 177.39 176.69 1u7j h GLU 11 N -0.05 0.64 -0.00 3.23 4.39 -0.71 -0.98 114.58 121.10 1u7j h GLU 11 Ca -0.13 -0.45 -0.14 0.00 0.34 0.00 0.00 59.36 58.99 1u7j h GLU 11 Cb 1.18 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1u7j h GLU 11 CO -0.04 1.06 -0.65 1.96 -1.16 0.00 0.00 179.01 180.19 1u7j h GLN 12 N 0.33 0.02 -0.63 2.33 1.08 -1.47 -1.81 115.11 114.95 1u7j h GLN 12 Ca -0.01 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1u7j h GLN 12 Cb 1.08 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.48 1u7j h GLN 12 CO 0.10 0.66 0.33 1.96 -0.95 0.00 0.00 178.83 180.93 1u7j h GLN 13 N 0.01 0.90 -0.30 1.46 4.20 -1.69 -0.87 115.11 118.82 1u7j h GLN 13 Ca -0.01 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1u7j h GLN 13 Cb 1.16 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1u7j h GLN 13 CO 0.09 0.70 0.07 0.00 -0.67 0.00 0.00 178.83 179.01 1u7j h ALA 14 N 1.15 0.40 -0.72 3.87 0.00 -1.13 -3.17 119.26 119.66 1u7j h ALA 14 Ca 0.22 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1u7j h ALA 14 Cb 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1u7j h ALA 14 CO -0.03 0.07 0.32 1.98 0.00 0.00 0.00 179.25 181.59 1u7j h MET 15 N 0.32 0.50 -0.83 0.00 1.85 -1.09 0.10 114.93 115.79 1u7j h MET 15 Ca 0.09 -0.03 0.15 0.00 -0.61 0.00 0.00 59.70 59.30 1u7j h MET 15 Cb 0.30 -0.11 -0.06 0.00 0.43 0.00 0.00 31.60 32.16 1u7j h MET 15 CO 0.00 0.33 0.54 0.87 -0.40 0.00 0.00 176.91 178.26 1u7j h LYS 16 N 0.51 0.55 0.14 0.39 1.79 -1.14 -2.57 116.57 116.24 1u7j h LYS 16 Ca 0.37 -0.03 -0.35 0.00 -2.18 0.00 0.00 60.65 58.46 1u7j h LYS 16 Cb 0.48 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1u7j h LYS 16 CO -0.33 0.36 -1.80 -0.07 -1.08 0.00 0.00 179.45 176.53 1u7j h LEU 17 N 0.56 0.48 -2.17 2.94 3.38 -1.29 -3.33 115.31 115.88 1u7j h LEU 17 Ca 0.41 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1u7j h LEU 17 Cb 0.79 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1u7j h LEU 17 CO -0.17 1.72 -0.06 1.88 0.09 0.00 0.00 178.44 181.90 1u7j h TYR 18 N 0.08 0.00 0.00 1.13 0.05 -0.77 0.09 116.97 117.55 1u7j h TYR 18 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1u7j h TYR 18 Cb 2.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.80 1u7j h TYR 18 CO 0.08 0.06 -0.41 2.89 -1.05 0.00 0.00 178.16 179.73 1u7j n ARG 19 N -3.44 0.01 -0.08 4.88 1.85 -0.99 -4.42 116.66 114.46 1u7j n ARG 19 Ca -0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.72 1u7j n ARG 19 Cb 0.19 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.51 0.46 -1.05 2.89 0.00 -0.39 -4.62 120.64 116.41 1u7j n GLU 20 Ca 0.06 0.19 -0.30 0.00 0.00 0.00 0.00 57.16 57.10 1u7j n GLU 20 Cb 0.34 -1.29 -0.03 0.00 0.00 0.00 0.00 31.44 30.45 1u7j n GLU 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1u7j n ALA 21 N -4.24 6.33 0.00 4.31 0.00 -0.12 -3.87 120.51 122.91 1u7j n ALA 21 Ca -0.20 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.46 1u7j n ALA 21 Cb 0.53 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 3.72 0.00 0.10 0.00 2.88 -1.26 -4.60 113.62 114.47 1u7j n SER 22 Ca 0.62 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 58.12 1u7j n SER 22 Cb 0.24 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.82 1u7j n SER 22 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1u7j h GLU 23 N 0.00 0.13 0.00 -1.46 5.08 -1.88 -0.11 114.58 116.35 1u7j h GLU 23 Ca 0.00 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 1u7j h GLU 23 Cb 0.30 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1u7j h GLU 23 CO 0.00 0.73 -0.83 -0.09 -1.00 0.00 0.00 179.01 177.83 1u7j h ARG 24 N 0.09 0.00 0.03 2.33 2.43 -1.89 -3.37 114.38 114.01 1u7j h ARG 24 Ca -0.01 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 1u7j h ARG 24 Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1u7j h ARG 24 CO 0.09 0.83 -0.86 0.28 -1.51 0.00 0.00 179.97 178.80 1u7j h VAL 25 N 0.00 1.26 0.00 0.20 2.07 -1.79 -3.49 116.25 114.50 1u7j h VAL 25 Ca -0.01 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1u7j h VAL 25 Cb 1.63 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 1u7j h VAL 25 CO 0.11 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.83 1u7j n GLY 26 N 1.58 2.01 3.77 2.17 0.00 -0.06 -5.05 105.19 109.60 1u7j n GLY 26 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.39 6.87 0.19 1.61 1.01 -1.26 -4.98 116.67 116.73 1u7j s ASP 27 Ca 0.00 2.59 0.01 0.00 0.71 0.00 0.00 52.55 55.86 1u7j s ASP 27 Cb 0.00 -2.64 0.11 0.00 1.01 0.00 0.00 42.92 41.40 1u7j s ASP 27 CO 0.00 -0.46 1.47 1.55 0.21 0.00 0.00 175.17 177.94 1u7j h PRO 28 N 3.45 0.34 0.00 8.23 0.13 -1.98 -3.11 132.00 139.07 1u7j h PRO 28 Ca -0.48 -0.27 -0.02 0.00 -0.87 0.00 0.00 66.00 64.36 1u7j h PRO 28 Cb 1.22 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1u7j h PRO 28 CO 0.66 0.91 -0.09 -0.24 -0.23 0.00 0.00 178.00 179.00 1u7j h VAL 29 N 0.24 0.60 -0.42 1.56 3.04 -2.00 -2.38 116.25 116.88 1u7j h VAL 29 Ca -0.02 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1u7j h VAL 29 Cb 1.26 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 31.77 1u7j h VAL 29 CO 0.12 0.09 0.28 0.25 -1.01 0.00 0.00 177.57 177.29 1u7j h LEU 30 N 0.00 0.48 -1.14 3.16 6.46 -1.95 0.28 115.31 122.60 1u7j h LEU 30 Ca -0.00 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1u7j h LEU 30 Cb 0.24 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1u7j h LEU 30 CO 0.01 0.35 -0.06 0.00 -0.62 0.00 0.00 178.44 178.12 1u7j h ALA 31 N 1.74 1.00 0.09 1.25 0.00 -1.59 -3.15 119.26 118.60 1u7j h ALA 31 Ca 0.15 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 1u7j h ALA 31 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1u7j h ALA 31 CO -0.03 0.08 -1.40 0.87 0.00 0.00 0.00 179.25 178.77 1u7j h LYS 32 N 0.00 0.18 -0.15 0.00 1.79 -1.05 -3.32 116.57 114.02 1u7j h LYS 32 Ca -0.00 -0.31 0.05 0.00 -2.18 0.00 0.00 60.65 58.21 1u7j h LYS 32 Cb 0.66 0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 31.36 1u7j h LYS 32 CO 0.01 1.05 -0.33 0.82 -1.08 0.00 0.00 179.45 179.92 1u7j h ILE 33 N 0.05 0.27 0.00 1.86 1.08 -1.15 -2.43 117.51 117.20 1u7j h ILE 33 Ca -0.18 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.24 1u7j h ILE 33 Cb 1.96 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1u7j h ILE 33 CO 0.16 0.00 -0.22 0.17 -0.69 0.00 0.00 178.15 177.56 1u7j h LEU 34 N -0.39 0.00 -0.43 1.44 8.10 -1.70 -1.39 115.31 120.94 1u7j h LEU 34 Ca 0.10 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.02 1u7j h LEU 34 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.76 1u7j h LEU 34 CO -0.37 0.22 -0.33 -0.33 -4.11 0.00 0.00 178.44 173.53 1u7j h GLU 35 N 0.00 0.00 0.05 0.17 5.08 -1.59 -2.21 114.58 116.07 1u7j h GLU 35 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1u7j h GLU 35 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.75 1u7j h GLU 35 CO 0.03 0.33 -0.73 -0.44 -1.00 0.00 0.00 179.01 177.20 1u7j h ASP 36 N 0.00 0.56 0.29 1.42 3.32 -0.94 -3.31 116.42 117.77 1u7j h ASP 36 Ca -0.00 -0.81 -0.00 0.00 0.02 0.00 0.00 57.03 56.23 1u7j h ASP 36 Cb 1.09 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1u7j h ASP 36 CO 0.04 1.31 -0.00 -0.33 -1.72 0.00 0.00 179.24 178.54 1u7j h GLU 37 N -0.12 0.00 -0.03 3.56 4.39 -1.23 -2.79 114.58 118.36 1u7j h GLU 37 Ca -0.10 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1u7j h GLU 37 Cb 1.46 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.08 1u7j h GLU 37 CO 0.14 0.00 -0.14 1.49 -1.16 0.00 0.00 179.01 179.35 1u7j h GLU 38 N 0.00 -0.21 -0.86 2.33 4.81 -1.48 -2.58 114.58 116.60 1u7j h GLU 38 Ca -0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1u7j h GLU 38 Cb 0.15 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1u7j h GLU 38 CO 0.00 -0.14 0.57 0.87 -0.73 0.00 0.00 179.01 179.58 1u7j h LYS 39 N -0.22 1.12 0.00 1.92 6.56 -1.66 -1.29 116.57 123.00 1u7j h LYS 39 Ca 0.06 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1u7j h LYS 39 Cb 0.29 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1u7j h LYS 39 CO -0.16 0.74 0.00 0.72 -2.06 0.00 0.00 179.45 178.70 1u7j n HIS 40 N -4.41 0.00 -0.06 -1.35 8.25 -0.99 -0.86 115.22 115.80 1u7j n HIS 40 Ca 0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.48 1u7j n HIS 40 Cb 0.03 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 30.62 1u7j n HIS 40 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1u7j n ILE 41 N -1.45 0.72 0.02 1.59 2.08 -0.96 -3.86 119.36 117.50 1u7j n ILE 41 Ca 0.03 -0.32 -0.10 0.00 0.56 0.00 0.00 62.75 62.92 1u7j n ILE 41 Cb 0.13 -0.89 -0.05 0.00 -0.75 0.00 0.00 39.64 38.07 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1u7j h GLU 42 N 0.00 -0.08 -0.19 0.38 4.57 -1.04 -1.05 114.58 117.17 1u7j h GLU 42 Ca -0.28 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 57.84 1u7j h GLU 42 Cb 1.49 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 1u7j h GLU 42 CO -0.03 -0.05 -0.18 -1.49 -1.18 0.00 0.00 179.01 176.08 1u7j h TRP 43 N -0.08 0.34 0.56 0.92 6.55 -1.26 -2.29 115.95 120.69 1u7j h TRP 43 Ca 0.05 -0.05 -0.02 0.00 0.95 0.00 0.00 58.89 59.81 1u7j h TRP 43 Cb 0.15 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 28.36 1u7j h TRP 43 CO -0.16 0.49 -0.32 1.25 -1.05 0.00 0.00 178.44 178.65 1u7j h LEU 44 N 0.29 -0.79 -0.80 -4.49 6.46 -1.51 -0.90 115.31 113.57 1u7j h LEU 44 Ca 0.05 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1u7j h LEU 44 Cb 0.50 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 1u7j h LEU 44 CO 0.03 -0.51 0.52 -0.08 -0.62 0.00 0.00 178.44 177.78 1u7j h GLU 45 N -0.82 1.00 -0.03 1.25 4.81 -1.24 -0.58 114.58 118.95 1u7j h GLU 45 Ca -0.07 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1u7j h GLU 45 Cb 0.66 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1u7j h GLU 45 CO 0.09 0.66 0.05 1.15 -0.73 0.00 0.00 179.01 180.23 1u7j h THR 46 N 1.03 0.37 0.00 0.32 2.02 -1.22 -2.83 112.91 112.60 1u7j h THR 46 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1u7j h THR 46 Cb -0.05 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1u7j h THR 46 CO -0.09 0.00 -1.56 -0.38 0.37 0.00 0.00 175.52 173.85 1u7j n ILE 47 N -3.61 0.00 0.09 3.11 5.41 -0.36 -4.23 119.36 119.77 1u7j n ILE 47 Ca -0.02 -0.33 -0.05 0.00 1.00 0.00 0.00 62.75 63.36 1u7j n ILE 47 Cb 0.14 0.33 0.13 0.00 -0.71 0.00 0.00 39.64 39.52 1u7j n ILE 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1u7j h ASN 48 N 0.00 0.24 0.00 4.38 -1.24 -0.93 -3.49 115.58 114.55 1u7j h ASN 48 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.87 1u7j h ASN 48 Cb 0.72 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.70 1u7j h ASN 48 CO 0.00 0.79 0.00 0.61 -1.29 0.00 0.00 177.43 177.54