#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 0.52 0.00 3.17 2.03 -1.26 -5.13 116.55 115.88 1u7j n ASP 2 Ca 0.00 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1u7j n ASP 2 Cb 0.00 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 -3.45 0.00 -0.12 -0.67 4.19 -1.26 -5.03 117.16 110.82 1u7j n TYR 3 Ca 0.00 0.00 0.27 0.00 3.31 0.00 0.00 57.90 61.48 1u7j n TYR 3 Cb 0.02 0.00 0.69 0.00 0.49 0.00 0.00 39.34 40.54 1u7j n TYR 3 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1u7j h LEU 4 N 0.00 0.00 -0.60 2.98 3.38 -1.99 -2.26 115.31 116.82 1u7j h LEU 4 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1u7j h LEU 4 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1u7j h LEU 4 CO 0.00 0.00 0.32 -0.09 0.09 0.00 0.00 178.44 178.76 1u7j h ARG 5 N 0.00 0.58 -0.33 1.13 2.43 -1.96 -0.20 114.38 116.04 1u7j h ARG 5 Ca 0.39 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.45 1u7j h ARG 5 Cb 1.89 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 31.29 1u7j h ARG 5 CO -0.00 0.38 -0.11 0.93 -1.51 0.00 0.00 179.97 179.66 1u7j h GLU 6 N 0.60 0.57 -0.40 0.20 5.08 -1.82 -1.00 114.58 117.80 1u7j h GLU 6 Ca 0.27 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1u7j h GLU 6 Cb 0.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1u7j h GLU 6 CO -0.18 0.67 0.09 -0.07 -1.00 0.00 0.00 179.01 178.53 1u7j h LEU 7 N 0.52 0.61 -0.28 1.33 4.07 -1.57 -2.70 115.31 117.29 1u7j h LEU 7 Ca 0.10 -0.24 0.06 0.00 0.08 0.00 0.00 57.88 57.88 1u7j h LEU 7 Cb 0.51 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 42.02 1u7j h LEU 7 CO 0.03 0.69 -0.15 0.22 -1.08 0.00 0.00 178.44 178.14 1u7j h TYR 8 N 0.51 -0.38 0.00 1.13 3.20 -0.69 0.11 116.97 120.85 1u7j h TYR 8 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1u7j h TYR 8 Cb 0.32 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1u7j h TYR 8 CO 0.02 -0.22 0.00 1.63 -1.64 0.00 0.00 178.16 177.94 1u7j n LYS 9 N -5.32 0.38 -0.06 1.82 4.76 -0.41 -1.46 118.16 117.88 1u7j n LYS 9 Ca -0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1u7j n LYS 9 Cb 0.24 -1.44 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 1u7j n LYS 9 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u7j n LEU 10 N -0.94 2.92 -0.06 -0.35 4.77 -0.59 -4.41 117.00 118.34 1u7j n LEU 10 Ca 0.08 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 1u7j n LEU 10 Cb 0.04 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 1u7j n LEU 10 CO 0.06 0.67 0.54 -0.33 -1.33 0.00 0.00 177.39 177.01 1u7j h GLU 11 N -0.01 0.51 -0.06 3.23 4.39 -0.47 -0.65 114.58 121.52 1u7j h GLU 11 Ca -0.25 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.06 1u7j h GLU 11 Cb 1.38 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 1u7j h GLU 11 CO -0.04 0.89 -0.40 1.96 -1.16 0.00 0.00 179.01 180.26 1u7j h GLN 12 N 0.17 0.12 -0.36 2.33 1.08 -1.50 -0.83 115.11 116.12 1u7j h GLN 12 Ca 0.02 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1u7j h GLN 12 Cb 0.83 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 1u7j h GLN 12 CO 0.06 0.51 0.15 1.96 -0.95 0.00 0.00 178.83 180.56 1u7j h GLN 13 N 0.10 0.54 -0.71 1.46 1.08 -1.73 -2.93 115.11 112.92 1u7j h GLN 13 Ca 0.01 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.05 1u7j h GLN 13 Cb 0.76 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 1u7j h GLN 13 CO 0.06 0.52 0.19 0.00 -0.95 0.00 0.00 178.83 178.65 1u7j h ALA 14 N 0.99 0.99 -0.96 3.87 0.00 -0.87 -3.15 119.26 120.12 1u7j h ALA 14 Ca 0.12 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1u7j h ALA 14 Cb 0.18 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 1u7j h ALA 14 CO -0.01 0.66 0.61 0.52 0.00 0.00 0.00 179.25 181.03 1u7j h MET 15 N 1.07 0.99 -0.66 0.00 2.86 -1.05 -0.92 114.93 117.23 1u7j h MET 15 Ca 0.23 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1u7j h MET 15 Cb 0.35 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1u7j h MET 15 CO -0.00 0.66 0.41 0.87 1.06 0.00 0.00 176.91 179.90 1u7j h LYS 16 N 1.02 0.77 -0.38 1.72 6.56 -1.47 -2.65 116.57 122.14 1u7j h LYS 16 Ca 0.45 -0.05 -0.14 0.00 -1.06 0.00 0.00 60.65 59.85 1u7j h LYS 16 Cb 0.34 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1u7j h LYS 16 CO -0.23 0.51 -0.34 -0.07 -2.06 0.00 0.00 179.45 177.26 1u7j h LEU 17 N 0.79 0.90 -1.08 2.94 3.38 -1.34 -2.23 115.31 118.67 1u7j h LEU 17 Ca 0.27 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1u7j h LEU 17 Cb 0.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1u7j h LEU 17 CO -0.11 1.16 0.41 1.88 0.09 0.00 0.00 178.44 181.86 1u7j h TYR 18 N 0.72 1.03 0.00 1.13 0.05 -1.04 -0.63 116.97 118.23 1u7j h TYR 18 Ca 0.07 -0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.67 1u7j h TYR 18 Cb 0.91 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1u7j h TYR 18 CO 0.05 0.72 -0.77 0.07 -1.05 0.00 0.00 178.16 177.19 1u7j h ARG 19 N 1.06 0.00 -0.09 4.88 0.11 -1.38 -1.14 114.38 117.81 1u7j h ARG 19 Ca 0.27 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.33 1u7j h ARG 19 Cb 0.04 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.11 1u7j h ARG 19 CO -0.04 0.77 0.01 1.49 0.10 0.00 0.00 179.97 182.30 1u7j h GLU 20 N 0.00 0.16 -0.06 0.08 4.81 -1.00 -0.65 114.58 117.92 1u7j h GLU 20 Ca -0.01 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1u7j h GLU 20 Cb 1.41 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 1u7j h GLU 20 CO 0.10 0.39 -0.26 0.00 -0.73 0.00 0.00 179.01 178.51 1u7j h ALA 21 N 0.77 1.47 -0.25 2.92 0.00 -1.18 -1.80 119.26 121.19 1u7j h ALA 21 Ca 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1u7j h ALA 21 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1u7j h ALA 21 CO 0.00 0.39 0.05 1.03 0.00 0.00 0.00 179.25 180.72 1u7j h SER 22 N 0.09 0.38 -0.80 0.00 0.87 -1.00 0.40 113.55 113.49 1u7j h SER 22 Ca 0.01 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1u7j h SER 22 Cb 0.51 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1u7j h SER 22 CO 0.04 0.53 0.53 -0.08 -0.53 0.00 0.00 176.83 177.32 1u7j h GLU 23 N 0.22 1.01 0.00 2.24 4.22 -0.92 -2.31 114.58 119.05 1u7j h GLU 23 Ca 0.08 -0.06 -0.25 0.00 0.08 0.00 0.00 59.36 59.20 1u7j h GLU 23 Cb 0.30 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1u7j h GLU 23 CO 0.00 0.67 -1.52 -0.09 -2.18 0.00 0.00 179.01 175.89 1u7j h ARG 24 N 1.04 0.00 0.00 1.92 2.43 -1.24 -3.45 114.38 115.08 1u7j h ARG 24 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1u7j h ARG 24 Cb -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1u7j h ARG 24 CO -0.08 0.53 -0.07 0.28 -1.51 0.00 0.00 179.97 179.12 1u7j n VAL 25 N -3.07 0.00 -2.92 0.20 0.31 0.07 -5.08 118.33 107.84 1u7j n VAL 25 Ca -0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.01 1u7j n VAL 25 Cb 0.99 -0.58 0.03 0.00 -0.91 0.00 0.00 33.84 33.38 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 1.61 -0.38 3.68 2.92 0.00 -0.82 -4.98 105.19 107.22 1u7j n GLY 26 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1u7j n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u7j n ASP 27 N -2.00 2.44 -0.12 1.61 -0.08 -1.26 -4.82 116.55 112.33 1u7j n ASP 27 Ca -0.10 1.17 0.04 0.00 -1.51 0.00 0.00 54.79 54.39 1u7j n ASP 27 Cb 0.61 -1.45 0.35 0.00 2.34 0.00 0.00 41.12 42.97 1u7j n ASP 27 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1u7j h PRO 28 N 2.33 0.73 0.00 -0.67 0.13 -2.00 -1.44 132.00 131.08 1u7j h PRO 28 Ca -0.45 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1u7j h PRO 28 Cb 1.30 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1u7j h PRO 28 CO 0.61 0.48 -0.44 -0.24 -0.23 0.00 0.00 178.00 178.19 1u7j h VAL 29 N 0.75 1.06 -0.47 1.56 3.04 -1.99 -1.74 116.25 118.47 1u7j h VAL 29 Ca 0.23 -1.67 -0.03 0.00 -1.01 0.00 0.00 66.70 64.23 1u7j h VAL 29 Cb 0.01 1.97 -0.02 0.00 -2.01 0.00 0.00 31.29 31.24 1u7j h VAL 29 CO -0.06 0.43 0.18 0.25 -1.01 0.00 0.00 177.57 177.37 1u7j h LEU 30 N 0.00 0.66 -0.91 3.16 6.46 -1.64 -0.30 115.31 122.73 1u7j h LEU 30 Ca -0.00 -0.17 -0.06 0.00 -0.12 0.00 0.00 57.88 57.53 1u7j h LEU 30 Cb 0.94 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1u7j h LEU 30 CO 0.06 0.65 0.16 0.00 -0.62 0.00 0.00 178.44 178.69 1u7j h ALA 31 N 1.03 1.12 -0.42 1.25 0.00 -1.23 -2.49 119.26 118.53 1u7j h ALA 31 Ca 0.16 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1u7j h ALA 31 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1u7j h ALA 31 CO -0.01 0.59 0.06 0.87 0.00 0.00 0.00 179.25 180.76 1u7j h LYS 32 N 0.91 0.65 0.29 0.00 1.79 -1.08 -3.09 116.57 116.04 1u7j h LYS 32 Ca 0.20 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1u7j h LYS 32 Cb 0.32 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1u7j h LYS 32 CO -0.00 0.62 -0.14 0.82 -1.08 0.00 0.00 179.45 179.67 1u7j h ILE 33 N 0.62 0.75 0.00 1.86 2.04 -0.61 -3.16 117.51 119.01 1u7j h ILE 33 Ca 0.14 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1u7j h ILE 33 Cb 0.30 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1u7j h ILE 33 CO 0.00 0.09 -0.03 0.17 0.00 0.00 0.00 178.15 178.39 1u7j h LEU 34 N -0.63 0.00 -0.53 1.44 8.10 -1.53 -0.81 115.31 121.35 1u7j h LEU 34 Ca -0.04 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.87 1u7j h LEU 34 Cb 0.45 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.65 1u7j h LEU 34 CO 0.06 0.03 0.04 -0.33 -4.11 0.00 0.00 178.44 174.13 1u7j h GLU 35 N 0.00 0.92 -0.20 0.17 4.39 -1.51 -2.32 114.58 116.03 1u7j h GLU 35 Ca -0.00 -0.27 -0.13 0.00 0.34 0.00 0.00 59.36 59.30 1u7j h GLU 35 Cb 0.34 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1u7j h GLU 35 CO 0.00 0.92 -0.38 -0.44 -1.16 0.00 0.00 179.01 177.96 1u7j h ASP 36 N 0.80 0.69 0.60 1.42 3.32 -1.39 -3.35 116.42 118.50 1u7j h ASP 36 Ca 0.16 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1u7j h ASP 36 Cb 0.48 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1u7j h ASP 36 CO 0.02 1.10 0.00 -0.08 -1.72 0.00 0.00 179.24 178.56 1u7j h GLU 37 N 0.30 0.00 -0.02 3.56 4.57 -1.04 -2.24 114.58 119.71 1u7j h GLU 37 Ca 0.01 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 1u7j h GLU 37 Cb 0.97 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1u7j h GLU 37 CO 0.08 0.00 -0.31 0.93 -1.18 0.00 0.00 179.01 178.54 1u7j h GLU 38 N 0.00 0.24 -0.66 1.92 5.08 -1.55 -3.31 114.58 116.30 1u7j h GLU 38 Ca 0.00 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1u7j h GLU 38 Cb 0.30 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1u7j h GLU 38 CO 0.00 0.93 0.43 0.87 -1.00 0.00 0.00 179.01 180.24 1u7j h LYS 39 N -0.36 0.87 0.00 2.33 6.56 -1.58 -1.28 116.57 123.11 1u7j h LYS 39 Ca -0.03 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1u7j h LYS 39 Cb 1.03 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 1u7j h LYS 39 CO 0.06 0.58 0.09 0.72 -2.06 0.00 0.00 179.45 178.84 1u7j n HIS 40 N -4.43 0.00 -0.03 -1.35 8.25 -0.90 -1.02 115.22 115.74 1u7j n HIS 40 Ca 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1u7j n HIS 40 Cb 0.04 -0.24 -0.04 0.00 1.12 0.00 0.00 29.99 30.87 1u7j n HIS 40 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1u7j n ILE 41 N -1.20 0.41 0.10 1.59 0.13 -0.50 -3.92 119.36 115.97 1u7j n ILE 41 Ca 0.00 -0.20 -0.13 0.00 -1.10 0.00 0.00 62.75 61.32 1u7j n ILE 41 Cb 0.09 -0.80 -0.08 0.00 -0.84 0.00 0.00 39.64 38.01 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1u7j h GLU 42 N 0.00 -0.22 -0.63 9.51 5.08 -1.35 -0.92 114.58 126.04 1u7j h GLU 42 Ca -0.16 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1u7j h GLU 42 Cb 1.30 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1u7j h GLU 42 CO -0.01 0.03 0.38 -1.49 -1.00 0.00 0.00 179.01 176.92 1u7j h TRP 43 N -0.45 0.84 -0.39 4.33 6.55 -1.35 -0.36 115.95 125.13 1u7j h TRP 43 Ca -0.02 -0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.76 1u7j h TRP 43 Cb 0.35 -0.28 -0.02 0.00 -0.86 0.00 0.00 29.16 28.36 1u7j h TRP 43 CO 0.00 0.58 0.01 1.25 -1.05 0.00 0.00 178.44 179.23 1u7j h LEU 44 N 0.86 0.58 -0.00 -4.49 5.85 -1.67 -1.21 115.31 115.23 1u7j h LEU 44 Ca 0.23 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1u7j h LEU 44 Cb -0.01 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1u7j h LEU 44 CO -0.04 0.64 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.49 1u7j h GLU 45 N 0.58 0.10 -0.86 1.25 4.22 -0.95 -3.32 114.58 115.60 1u7j h GLU 45 Ca 0.12 -0.10 0.14 0.00 0.08 0.00 0.00 59.36 59.61 1u7j h GLU 45 Cb 0.36 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 1u7j h GLU 45 CO 0.01 0.84 0.56 1.15 -2.18 0.00 0.00 179.01 179.40 1u7j h THR 46 N -0.60 0.83 0.00 0.32 2.02 -0.94 -1.37 112.91 113.16 1u7j h THR 46 Ca -0.02 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1u7j h THR 46 Cb 0.89 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1u7j h THR 46 CO 0.03 0.12 0.00 -0.38 0.37 0.00 0.00 175.52 175.65 1u7j n ILE 47 N -4.54 0.30 0.31 3.11 2.08 -0.47 -2.58 119.36 117.57 1u7j n ILE 47 Ca 0.17 0.07 0.19 0.00 0.56 0.00 0.00 62.75 63.74 1u7j n ILE 47 Cb 0.48 -0.81 1.05 0.00 -0.75 0.00 0.00 39.64 39.61 1u7j n ILE 47 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1u7j h ASN 48 N 0.00 0.00 0.00 4.38 2.35 -1.38 -3.51 115.58 117.42 1u7j h ASN 48 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u7j h ASN 48 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1u7j h ASN 48 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39