#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 -0.12 6.12 2.03 -1.26 -5.02 116.55 118.30 1u7j n ASP 2 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1u7j n ASP 2 Cb 0.00 0.28 -0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1u7j n ASP 2 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1u7j h TYR 3 N 0.00 -0.76 -1.41 -0.67 0.05 -2.02 -1.99 116.97 110.17 1u7j h TYR 3 Ca 0.00 0.05 0.41 0.00 0.05 0.00 0.00 58.73 59.24 1u7j h TYR 3 Cb 0.00 0.40 -0.06 0.00 1.01 0.00 0.00 36.73 38.08 1u7j h TYR 3 CO 0.00 -0.35 1.04 1.37 -1.05 0.00 0.00 178.16 179.17 1u7j h LEU 4 N -0.21 0.00 -0.37 3.88 8.10 -1.95 -0.09 115.31 124.67 1u7j h LEU 4 Ca 0.19 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 58.09 1u7j h LEU 4 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 1u7j h LEU 4 CO -0.53 0.00 -0.09 0.03 -4.11 0.00 0.00 178.44 173.74 1u7j h ARG 5 N 0.00 0.72 -0.94 0.17 3.08 -1.73 0.33 114.38 116.00 1u7j h ARG 5 Ca 0.67 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 1u7j h ARG 5 Cb 2.74 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 32.70 1u7j h ARG 5 CO -0.01 0.87 0.55 0.93 -1.07 0.00 0.00 179.97 181.25 1u7j h GLU 6 N 0.52 1.28 -0.20 0.04 5.08 -1.16 -0.27 114.58 119.86 1u7j h GLU 6 Ca 0.09 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1u7j h GLU 6 Cb 0.61 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1u7j h GLU 6 CO 0.04 0.90 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.76 1u7j h LEU 7 N 1.30 0.45 -0.41 1.33 3.38 -1.40 -2.41 115.31 117.55 1u7j h LEU 7 Ca 0.33 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1u7j h LEU 7 Cb -0.04 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1u7j h LEU 7 CO -0.06 0.78 0.09 0.22 0.09 0.00 0.00 178.44 179.57 1u7j h TYR 8 N 0.12 0.16 0.00 1.13 5.03 -0.80 0.38 116.97 122.99 1u7j h TYR 8 Ca 0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1u7j h TYR 8 Cb 0.62 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.90 1u7j h TYR 8 CO 0.07 0.03 0.00 1.63 -1.32 0.00 0.00 178.16 178.57 1u7j n LYS 9 N -5.08 0.53 0.00 1.82 5.02 -0.12 -1.81 118.16 118.51 1u7j n LYS 9 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1u7j n LYS 9 Cb 0.18 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.51 0.75 0.07 -0.35 4.77 -0.56 -4.58 117.00 116.59 1u7j n LEU 10 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1u7j n LEU 10 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1u7j n LEU 10 CO 0.00 0.04 0.45 -0.33 -1.33 0.00 0.00 177.39 176.22 1u7j h GLU 11 N 0.00 -0.23 -0.82 3.23 4.39 -0.24 0.91 114.58 121.83 1u7j h GLU 11 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1u7j h GLU 11 Cb 0.75 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 1u7j h GLU 11 CO 0.00 0.19 0.52 0.37 -1.16 0.00 0.00 179.01 178.93 1u7j h GLN 12 N -0.80 1.10 -0.41 2.33 -0.00 -1.56 0.30 115.11 116.06 1u7j h GLN 12 Ca -0.02 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.65 58.51 1u7j h GLN 12 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 1u7j h GLN 12 CO 0.04 0.74 0.12 0.37 0.00 0.00 0.00 178.83 180.11 1u7j h GLN 13 N 1.12 0.60 -0.02 1.69 -0.00 -1.62 -2.64 115.11 114.25 1u7j h GLN 13 Ca 0.30 -0.10 -0.20 0.00 -0.00 0.00 0.00 58.65 58.65 1u7j h GLN 13 Cb -0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.28 1u7j h GLN 13 CO -0.06 0.54 -0.85 0.00 0.00 0.00 0.00 178.83 178.45 1u7j h ALA 14 N 1.54 0.50 -0.40 3.38 0.00 -0.23 -3.29 119.26 120.76 1u7j h ALA 14 Ca 0.14 -0.68 0.11 0.00 0.00 0.00 0.00 54.91 54.48 1u7j h ALA 14 Cb 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1u7j h ALA 14 CO -0.01 0.83 0.29 0.52 0.00 0.00 0.00 179.25 180.88 1u7j h MET 15 N 0.19 0.01 -0.06 0.00 2.86 -0.57 0.64 114.93 118.00 1u7j h MET 15 Ca -0.05 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1u7j h MET 15 Cb 1.46 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.09 1u7j h MET 15 CO 0.14 0.00 -0.11 0.87 1.06 0.00 0.00 176.91 178.87 1u7j h LYS 16 N 0.01 -0.16 -0.25 1.72 6.56 -1.61 -2.24 116.57 120.59 1u7j h LYS 16 Ca 0.19 0.01 -0.13 0.00 -1.06 0.00 0.00 60.65 59.66 1u7j h LYS 16 Cb 0.75 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1u7j h LYS 16 CO -0.00 -0.11 -0.33 -0.07 -2.06 0.00 0.00 179.45 176.88 1u7j h LEU 17 N -0.16 0.73 -1.06 2.94 3.38 -1.16 -2.66 115.31 117.32 1u7j h LEU 17 Ca 0.06 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 57.64 1u7j h LEU 17 Cb 0.25 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1u7j h LEU 17 CO -0.16 1.09 0.62 1.88 0.09 0.00 0.00 178.44 181.97 1u7j h TYR 18 N 0.39 1.11 0.00 1.13 0.05 -0.99 -0.82 116.97 117.84 1u7j h TYR 18 Ca 0.03 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.68 1u7j h TYR 18 Cb 0.91 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 1u7j h TYR 18 CO 0.08 0.47 -0.88 0.07 -1.05 0.00 0.00 178.16 176.85 1u7j h ARG 19 N 0.99 0.00 -0.12 4.88 0.11 -1.37 -3.05 114.38 115.82 1u7j h ARG 19 Ca 0.47 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.47 1u7j h ARG 19 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1u7j h ARG 19 CO -0.23 0.65 -0.25 1.49 0.10 0.00 0.00 179.97 181.74 1u7j h GLU 20 N 0.00 0.37 -0.28 0.08 4.81 -1.03 -2.41 114.58 116.12 1u7j h GLU 20 Ca -0.05 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1u7j h GLU 20 Cb 1.60 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 1u7j h GLU 20 CO 0.09 0.85 0.10 0.00 -0.73 0.00 0.00 179.01 179.31 1u7j h ALA 21 N 0.52 1.65 -0.58 2.92 0.00 -1.31 -2.66 119.26 119.80 1u7j h ALA 21 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1u7j h ALA 21 Cb 0.84 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1u7j h ALA 21 CO 0.05 0.28 0.33 1.03 0.00 0.00 0.00 179.25 180.94 1u7j h SER 22 N 0.39 0.71 0.43 0.00 0.87 -1.40 -1.05 113.55 113.49 1u7j h SER 22 Ca 0.10 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1u7j h SER 22 Cb 0.10 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1u7j h SER 22 CO -0.01 0.57 -0.20 -0.08 -0.53 0.00 0.00 176.83 176.59 1u7j h GLU 23 N 0.78 0.00 0.20 2.24 4.81 -1.09 -2.10 114.58 119.42 1u7j h GLU 23 Ca 0.21 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.11 1u7j h GLU 23 Cb 0.01 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.41 1u7j h GLU 23 CO -0.04 0.20 -1.49 0.00 -0.73 0.00 0.00 179.01 176.95 1u7j h ARG 24 N 0.00 0.43 0.00 1.92 3.08 -1.27 -3.47 114.38 115.08 1u7j h ARG 24 Ca -0.00 -0.74 0.00 0.00 0.07 0.00 0.00 59.98 59.31 1u7j h ARG 24 Cb 0.46 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1u7j h ARG 24 CO 0.03 1.34 0.00 0.28 -1.07 0.00 0.00 179.97 180.55 1u7j n VAL 25 N -3.63 0.10 -2.84 2.04 0.31 -0.42 -5.10 118.33 108.78 1u7j n VAL 25 Ca -0.17 0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.09 1u7j n VAL 25 Cb 1.08 -0.54 0.05 0.00 -0.91 0.00 0.00 33.84 33.52 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 1.67 -0.19 3.51 2.92 0.00 -0.80 -4.96 105.19 107.34 1u7j n GLY 26 Ca 0.00 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1u7j n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u7j n ASP 27 N -2.45 -0.73 -0.09 1.61 8.00 -1.26 -4.81 116.55 116.82 1u7j n ASP 27 Ca -0.15 0.60 -0.09 0.00 0.71 0.00 0.00 54.79 55.87 1u7j n ASP 27 Cb 0.60 -1.27 0.07 0.00 -0.02 0.00 0.00 41.12 40.50 1u7j n ASP 27 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1u7j h PRO 28 N -0.42 0.80 0.00 -0.24 0.13 -2.01 -2.09 132.00 128.18 1u7j h PRO 28 Ca -0.46 -0.34 -0.10 0.00 -0.87 0.00 0.00 66.00 64.23 1u7j h PRO 28 Cb 1.34 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1u7j h PRO 28 CO 0.43 0.96 -0.47 -0.24 -0.23 0.00 0.00 178.00 178.46 1u7j h VAL 29 N 0.69 1.00 -0.32 1.56 3.04 -2.00 -3.05 116.25 117.18 1u7j h VAL 29 Ca 0.09 -1.84 -0.01 0.00 -1.01 0.00 0.00 66.70 63.93 1u7j h VAL 29 Cb 0.78 2.10 -0.02 0.00 -2.01 0.00 0.00 31.29 32.14 1u7j h VAL 29 CO 0.06 0.46 0.17 0.25 -1.01 0.00 0.00 177.57 177.50 1u7j h LEU 30 N 0.00 0.40 -1.32 3.16 6.46 -1.76 -1.59 115.31 120.66 1u7j h LEU 30 Ca -0.00 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1u7j h LEU 30 Cb 1.06 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.85 1u7j h LEU 30 CO 0.06 0.38 0.47 0.00 -0.62 0.00 0.00 178.44 178.73 1u7j h ALA 31 N 1.04 1.54 -0.61 1.25 0.00 -1.38 -1.59 119.26 119.52 1u7j h ALA 31 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1u7j h ALA 31 Cb 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1u7j h ALA 31 CO -0.02 0.40 0.11 -0.22 0.00 0.00 0.00 179.25 179.53 1u7j h LYS 32 N 0.91 0.97 -0.59 0.00 3.64 -1.37 -3.09 116.57 117.04 1u7j h LYS 32 Ca 0.27 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1u7j h LYS 32 Cb -0.03 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1u7j h LYS 32 CO -0.07 0.89 -0.03 0.82 -2.27 0.00 0.00 179.45 178.78 1u7j h ILE 33 N 0.92 1.27 -0.67 2.00 2.04 -0.49 -1.58 117.51 120.99 1u7j h ILE 33 Ca 0.19 -1.19 0.12 0.00 1.00 0.00 0.00 64.86 64.99 1u7j h ILE 33 Cb 0.38 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 1u7j h ILE 33 CO 0.01 0.43 0.21 -0.07 0.00 0.00 0.00 178.15 178.73 1u7j h LEU 34 N 0.96 0.15 -0.43 1.44 3.38 -1.25 0.03 115.31 119.59 1u7j h LEU 34 Ca 0.16 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 1u7j h LEU 34 Cb 0.60 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1u7j h LEU 34 CO 0.04 0.06 -0.20 -0.33 0.09 0.00 0.00 178.44 178.10 1u7j h GLU 35 N 0.36 0.89 -0.44 1.13 5.08 -1.40 -0.81 114.58 119.38 1u7j h GLU 35 Ca 0.36 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1u7j h GLU 35 Cb 0.53 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1u7j h GLU 35 CO -0.40 1.03 0.21 -0.44 -1.00 0.00 0.00 179.01 178.42 1u7j h ASP 36 N 0.71 0.58 1.16 1.42 3.32 -0.99 -2.96 116.42 119.66 1u7j h ASP 36 Ca 0.10 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1u7j h ASP 36 Cb 0.76 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1u7j h ASP 36 CO 0.06 0.54 0.00 -0.33 -1.72 0.00 0.00 179.24 177.79 1u7j h GLU 37 N 0.57 0.00 0.06 3.56 4.39 -0.83 -2.90 114.58 119.43 1u7j h GLU 37 Ca 0.15 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1u7j h GLU 37 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1u7j h GLU 37 CO -0.02 0.00 -0.03 0.93 -1.16 0.00 0.00 179.01 178.73 1u7j h GLU 38 N 0.00 -0.07 -0.85 2.33 5.08 -0.98 -3.15 114.58 116.93 1u7j h GLU 38 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1u7j h GLU 38 Cb 0.58 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1u7j h GLU 38 CO 0.00 0.19 0.57 0.87 -1.00 0.00 0.00 179.01 179.64 1u7j h LYS 39 N -0.34 1.11 0.00 2.33 6.56 -1.45 -2.37 116.57 122.41 1u7j h LYS 39 Ca -0.01 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1u7j h LYS 39 Cb 0.30 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1u7j h LYS 39 CO 0.01 0.74 0.00 0.72 -2.06 0.00 0.00 179.45 178.86 1u7j n HIS 40 N -4.41 0.00 -0.06 -1.35 8.25 -1.10 -2.15 115.22 114.40 1u7j n HIS 40 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 1u7j n HIS 40 Cb 0.03 -0.10 -0.08 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.10 0.79 0.14 1.59 0.13 -0.90 -3.80 119.36 116.21 1u7j n ILE 41 Ca 0.05 -0.42 -0.13 0.00 -1.10 0.00 0.00 62.75 61.16 1u7j n ILE 41 Cb 0.04 -0.81 -0.08 0.00 -0.84 0.00 0.00 39.64 37.96 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 1u7j h GLU 42 N 0.00 -0.37 -0.80 9.51 4.81 -1.47 -3.23 114.58 123.03 1u7j h GLU 42 Ca -0.31 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.00 1u7j h GLU 42 Cb 1.62 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 31.04 1u7j h GLU 42 CO -0.01 -0.03 0.53 -1.49 -0.73 0.00 0.00 179.01 177.28 1u7j h TRP 43 N -0.80 0.92 -0.44 0.92 6.55 -1.69 -1.60 115.95 119.81 1u7j h TRP 43 Ca -0.04 0.02 0.08 0.00 0.95 0.00 0.00 58.89 59.90 1u7j h TRP 43 Cb 0.51 -0.31 -0.10 0.00 -0.86 0.00 0.00 29.16 28.41 1u7j h TRP 43 CO 0.04 0.51 -0.37 1.25 -1.05 0.00 0.00 178.44 178.82 1u7j h LEU 44 N 0.93 -1.23 0.13 -4.49 6.46 -1.65 -0.70 115.31 114.77 1u7j h LEU 44 Ca 0.33 0.21 -0.36 0.00 -0.12 0.00 0.00 57.88 57.95 1u7j h LEU 44 Cb 0.14 0.57 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1u7j h LEU 44 CO -0.11 -0.34 -1.91 -0.08 -0.62 0.00 0.00 178.44 175.39 1u7j h GLU 45 N -0.26 0.28 0.00 1.25 4.22 -1.59 -3.35 114.58 115.13 1u7j h GLU 45 Ca 0.17 -0.47 0.00 0.00 0.08 0.00 0.00 59.36 59.14 1u7j h GLU 45 Cb 0.56 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1u7j h GLU 45 CO -0.58 1.19 0.07 1.15 -2.18 0.00 0.00 179.01 178.65 1u7j h THR 46 N 0.08 0.00 -0.16 0.32 2.02 -1.20 -0.70 112.91 113.27 1u7j h THR 46 Ca -0.39 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.83 1u7j h THR 46 Cb 2.05 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 1u7j h THR 46 CO 0.11 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.73 1u7j h ILE 47 N 0.00 0.19 0.00 3.11 2.04 -1.26 -3.00 117.51 118.59 1u7j h ILE 47 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1u7j h ILE 47 Cb 0.13 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1u7j h ILE 47 CO 0.00 0.00 -0.22 -3.20 0.00 0.00 0.00 178.15 174.73 1u7j n ASN 48 N -3.30 0.00 0.00 1.72 5.15 -0.38 -5.11 115.26 113.34 1u7j n ASN 48 Ca 0.01 -1.43 0.00 0.00 -0.60 0.00 0.00 54.58 52.56 1u7j n ASN 48 Cb 0.43 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27