#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7j s ASP 2 N 0.00 -0.31 0.00 3.17 -1.08 -1.26 -4.99 116.67 112.19 1u7j s ASP 2 Ca 0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 52.55 51.58 1u7j s ASP 2 Cb 0.00 0.63 0.00 0.00 -1.46 0.00 0.00 42.92 42.09 1u7j s ASP 2 CO 0.00 -1.12 0.00 0.00 0.52 0.00 0.00 175.17 174.57 1u7j n TYR 3 N -0.38 0.00 0.27 -5.34 4.19 -1.26 -4.57 117.16 110.07 1u7j n TYR 3 Ca -0.09 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.25 1u7j n TYR 3 Cb 0.62 0.00 0.78 0.00 0.49 0.00 0.00 39.34 41.23 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 -0.75 2.98 3.38 -2.00 -2.71 115.31 116.21 1u7j h LEU 4 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1u7j h LEU 4 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1u7j h LEU 4 CO 0.00 0.08 0.42 0.03 0.09 0.00 0.00 178.44 179.06 1u7j h ARG 5 N 0.00 0.71 -0.55 1.13 3.08 -1.96 -0.48 114.38 116.31 1u7j h ARG 5 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1u7j h ARG 5 Cb 0.20 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1u7j h ARG 5 CO 0.01 0.47 0.34 0.93 -1.07 0.00 0.00 179.97 180.65 1u7j h GLU 6 N 0.73 0.74 -0.10 0.04 5.08 -1.88 -0.25 114.58 118.94 1u7j h GLU 6 Ca 0.35 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1u7j h GLU 6 Cb 0.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1u7j h GLU 6 CO -0.22 0.51 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.05 1u7j h LEU 7 N 0.76 0.34 -0.49 1.33 4.07 -1.47 -2.79 115.31 117.06 1u7j h LEU 7 Ca 0.20 -0.55 0.09 0.00 0.08 0.00 0.00 57.88 57.71 1u7j h LEU 7 Cb -0.05 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 41.52 1u7j h LEU 7 CO -0.04 0.82 0.03 0.22 -1.08 0.00 0.00 178.44 178.40 1u7j h TYR 8 N -0.13 0.04 0.00 1.13 5.03 -0.94 0.25 116.97 122.35 1u7j h TYR 8 Ca 0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1u7j h TYR 8 Cb 0.76 0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1u7j h TYR 8 CO 0.10 -0.07 0.00 1.63 -1.32 0.00 0.00 178.16 178.50 1u7j n LYS 9 N -5.19 0.45 0.00 1.82 4.01 -0.12 -2.55 118.16 116.59 1u7j n LYS 9 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1u7j n LYS 9 Cb 0.26 -1.14 0.00 0.00 -0.51 0.00 0.00 35.03 33.63 1u7j n LYS 9 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1u7j n LEU 10 N -0.64 1.13 -0.03 -0.35 7.94 -0.39 -4.54 117.00 120.12 1u7j n LEU 10 Ca 0.03 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.79 1u7j n LEU 10 Cb 0.01 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.86 1u7j n LEU 10 CO 0.02 0.16 0.48 -0.33 -1.11 0.00 0.00 177.39 176.61 1u7j h GLU 11 N 0.00 0.14 -0.06 1.96 4.39 -0.54 -0.41 114.58 120.07 1u7j h GLU 11 Ca 0.00 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1u7j h GLU 11 Cb 0.90 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1u7j h GLU 11 CO 0.00 0.80 -0.44 1.96 -1.16 0.00 0.00 179.01 180.17 1u7j h GLN 12 N -0.48 0.13 -0.26 2.33 1.08 -1.72 -0.53 115.11 115.65 1u7j h GLN 12 Ca -0.01 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1u7j h GLN 12 Cb 0.84 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1u7j h GLN 12 CO 0.03 0.55 0.15 1.96 -0.95 0.00 0.00 178.83 180.56 1u7j h GLN 13 N 0.11 0.35 -0.60 1.46 1.08 -1.71 -2.48 115.11 113.32 1u7j h GLN 13 Ca 0.01 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1u7j h GLN 13 Cb 0.82 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 1u7j h GLN 13 CO 0.06 0.29 0.14 0.00 -0.95 0.00 0.00 178.83 178.37 1u7j h ALA 14 N 1.04 0.79 -0.97 3.87 0.00 -0.88 -3.18 119.26 119.92 1u7j h ALA 14 Ca 0.09 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1u7j h ALA 14 Cb 0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 1u7j h ALA 14 CO -0.02 0.50 0.62 0.52 0.00 0.00 0.00 179.25 180.88 1u7j h MET 15 N 0.87 1.06 -0.46 0.00 2.86 -0.93 0.31 114.93 118.64 1u7j h MET 15 Ca 0.19 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1u7j h MET 15 Cb 0.36 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 1u7j h MET 15 CO 0.00 0.70 0.17 0.87 1.06 0.00 0.00 176.91 179.72 1u7j h LYS 16 N 1.09 0.34 -0.28 1.72 1.57 -1.43 -0.67 116.57 118.92 1u7j h LYS 16 Ca 0.43 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 59.04 1u7j h LYS 16 Cb 0.24 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1u7j h LYS 16 CO -0.19 0.23 -0.42 -0.07 -0.57 0.00 0.00 179.45 178.43 1u7j h LEU 17 N 0.35 0.85 -0.92 2.94 3.38 -1.35 -1.58 115.31 118.98 1u7j h LEU 17 Ca 0.22 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1u7j h LEU 17 Cb 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1u7j h LEU 17 CO -0.21 1.20 0.39 1.88 0.09 0.00 0.00 178.44 181.78 1u7j h TYR 18 N 0.53 1.17 -0.04 1.13 0.05 -0.86 -0.75 116.97 118.19 1u7j h TYR 18 Ca 0.03 -0.05 -0.18 0.00 0.05 0.00 0.00 58.73 58.57 1u7j h TYR 18 Cb 1.01 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 1u7j h TYR 18 CO 0.08 0.84 -0.77 0.07 -1.05 0.00 0.00 178.16 177.33 1u7j h ARG 19 N 1.16 0.30 -0.23 4.88 0.11 -1.01 -1.17 114.38 118.41 1u7j h ARG 19 Ca 0.28 -0.27 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 1u7j h ARG 19 Cb 0.11 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1u7j h ARG 19 CO -0.04 0.93 0.07 1.49 0.10 0.00 0.00 179.97 182.52 1u7j h GLU 20 N 0.19 0.36 -0.69 0.08 4.57 -1.02 -1.93 114.58 116.15 1u7j h GLU 20 Ca -0.03 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1u7j h GLU 20 Cb 1.35 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.86 1u7j h GLU 20 CO 0.12 0.46 0.41 0.00 -1.18 0.00 0.00 179.01 178.83 1u7j h ALA 21 N 0.89 0.88 -0.11 2.92 0.00 -1.18 -2.58 119.26 120.09 1u7j h ALA 21 Ca 0.07 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1u7j h ALA 21 Cb 0.25 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1u7j h ALA 21 CO -0.00 0.35 -0.10 1.03 0.00 0.00 0.00 179.25 180.53 1u7j h SER 22 N 0.94 -0.32 0.08 0.00 0.87 -0.98 0.50 113.55 114.63 1u7j h SER 22 Ca 0.25 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1u7j h SER 22 Cb -0.03 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1u7j h SER 22 CO -0.05 -0.14 0.00 -0.62 -0.53 0.00 0.00 176.83 175.50 1u7j n GLU 23 N -5.24 0.52 -0.00 2.24 1.02 -0.74 -1.15 120.64 117.28 1u7j n GLU 23 Ca -0.04 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.16 1u7j n GLU 23 Cb 0.16 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.04 1u7j n GLU 23 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1u7j n ARG 24 N -1.07 1.35 0.00 3.49 1.74 -0.70 -4.88 116.66 116.60 1u7j n ARG 24 Ca 0.13 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1u7j n ARG 24 Cb 0.08 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1u7j n ARG 24 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u7j n VAL 25 N -1.56 0.00 -1.24 1.55 0.31 0.08 -5.07 118.33 112.41 1u7j n VAL 25 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 1u7j n VAL 25 Cb 0.13 -0.36 -0.03 0.00 -0.91 0.00 0.00 33.84 32.66 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 1.76 0.96 3.78 2.92 0.00 -0.30 -5.01 105.19 109.30 1u7j n GLY 26 Ca 0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.63 6.45 0.21 1.61 1.01 -1.26 -4.96 116.67 117.11 1u7j s ASP 27 Ca 0.00 2.96 0.00 0.00 0.71 0.00 0.00 52.55 56.22 1u7j s ASP 27 Cb 0.00 -2.66 0.18 0.00 1.01 0.00 0.00 42.92 41.45 1u7j s ASP 27 CO 0.00 -0.79 1.54 1.55 0.21 0.00 0.00 175.17 177.68 1u7j h PRO 28 N 3.12 0.43 0.00 8.23 0.13 -2.00 -2.93 132.00 138.97 1u7j h PRO 28 Ca -0.50 -0.27 -0.07 0.00 -0.87 0.00 0.00 66.00 64.28 1u7j h PRO 28 Cb 1.24 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1u7j h PRO 28 CO 0.65 0.87 -0.34 -0.24 -0.23 0.00 0.00 178.00 178.71 1u7j h VAL 29 N 0.33 0.85 -0.92 1.56 3.04 -2.00 -2.91 116.25 116.19 1u7j h VAL 29 Ca 0.00 -1.40 0.02 0.00 -1.01 0.00 0.00 66.70 64.31 1u7j h VAL 29 Cb 1.08 1.86 -0.05 0.00 -2.01 0.00 0.00 31.29 32.17 1u7j h VAL 29 CO 0.10 0.34 0.61 0.25 -1.01 0.00 0.00 177.57 177.85 1u7j h LEU 30 N 0.00 1.04 -1.50 3.16 6.46 -1.91 -1.60 115.31 120.95 1u7j h LEU 30 Ca -0.00 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.68 1u7j h LEU 30 Cb 0.83 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1u7j h LEU 30 CO 0.04 0.73 -0.25 0.00 -0.62 0.00 0.00 178.44 178.34 1u7j h ALA 31 N 1.44 1.52 0.02 1.25 0.00 -1.54 -2.91 119.26 119.04 1u7j h ALA 31 Ca 0.35 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1u7j h ALA 31 Cb -0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1u7j h ALA 31 CO -0.09 0.32 -1.12 0.87 0.00 0.00 0.00 179.25 179.23 1u7j h LYS 32 N 0.00 0.04 -0.57 0.00 1.57 -1.35 -2.97 116.57 113.29 1u7j h LYS 32 Ca -0.00 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1u7j h LYS 32 Cb 0.47 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1u7j h LYS 32 CO 0.03 0.97 0.25 0.82 -0.57 0.00 0.00 179.45 180.96 1u7j h ILE 33 N 0.01 0.87 -0.64 1.86 2.04 -1.27 -1.59 117.51 118.79 1u7j h ILE 33 Ca -0.06 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1u7j h ILE 33 Cb 1.83 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1u7j h ILE 33 CO 0.13 0.09 0.40 -0.07 0.00 0.00 0.00 178.15 178.70 1u7j h LEU 34 N 0.47 0.66 -0.63 1.44 3.38 -1.47 -0.97 115.31 118.20 1u7j h LEU 34 Ca 0.27 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1u7j h LEU 34 Cb 0.25 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1u7j h LEU 34 CO -0.23 0.47 0.30 -0.33 0.09 0.00 0.00 178.44 178.74 1u7j h GLU 35 N 0.79 0.90 -0.33 1.13 4.39 -1.32 -0.37 114.58 119.78 1u7j h GLU 35 Ca 0.25 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 1u7j h GLU 35 Cb -0.01 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1u7j h GLU 35 CO -0.09 0.72 -0.20 -0.44 -1.16 0.00 0.00 179.01 177.84 1u7j h ASP 36 N 0.86 0.75 0.49 1.42 5.19 -1.12 -3.07 116.42 120.95 1u7j h ASP 36 Ca 0.22 -0.42 -0.05 0.00 -0.62 0.00 0.00 57.03 56.15 1u7j h ASP 36 Cb 0.12 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1u7j h ASP 36 CO -0.03 1.01 -0.23 -0.33 -3.12 0.00 0.00 179.24 176.55 1u7j h GLU 37 N 0.49 0.00 -0.39 3.56 4.39 -1.00 -3.05 114.58 118.58 1u7j h GLU 37 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1u7j h GLU 37 Cb 0.75 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1u7j h GLU 37 CO 0.06 0.23 0.26 0.93 -1.16 0.00 0.00 179.01 179.32 1u7j h GLU 38 N 0.00 0.51 -0.88 2.33 5.08 -0.96 -2.38 114.58 118.28 1u7j h GLU 38 Ca -0.00 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1u7j h GLU 38 Cb 0.54 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1u7j h GLU 38 CO 0.03 0.34 0.56 0.87 -1.00 0.00 0.00 179.01 179.80 1u7j h LYS 39 N 0.52 1.01 0.00 2.33 6.56 -1.54 -2.38 116.57 123.07 1u7j h LYS 39 Ca 0.14 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1u7j h LYS 39 Cb -0.06 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.37 1u7j h LYS 39 CO -0.03 0.67 0.00 0.72 -2.06 0.00 0.00 179.45 178.74 1u7j n HIS 40 N -4.58 0.52 -0.11 -1.35 8.25 -0.91 -1.19 115.22 115.86 1u7j n HIS 40 Ca 0.12 0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 57.67 1u7j n HIS 40 Cb 0.14 -0.88 -0.11 0.00 1.12 0.00 0.00 29.99 30.27 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 -2.01 1.27 -0.05 1.59 2.08 -0.99 -3.30 119.36 117.95 1u7j n ILE 41 Ca 0.01 -0.52 -0.09 0.00 0.56 0.00 0.00 62.75 62.71 1u7j n ILE 41 Cb 0.12 -1.21 -0.02 0.00 -0.75 0.00 0.00 39.64 37.78 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1u7j h GLU 42 N 0.00 0.16 -0.37 0.38 5.08 -1.21 -1.42 114.58 117.20 1u7j h GLU 42 Ca -0.49 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 1u7j h GLU 42 Cb 1.81 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 1u7j h GLU 42 CO -0.07 0.11 0.02 -1.49 -1.00 0.00 0.00 179.01 176.58 1u7j h TRP 43 N 0.17 0.59 0.70 4.33 6.55 -1.37 -2.35 115.95 124.57 1u7j h TRP 43 Ca 0.09 -0.06 -0.03 0.00 0.95 0.00 0.00 58.89 59.85 1u7j h TRP 43 Cb 0.06 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.18 1u7j h TRP 43 CO -0.12 0.57 -0.48 1.25 -1.05 0.00 0.00 178.44 178.60 1u7j h LEU 44 N 0.55 -1.24 -0.76 -4.49 6.46 -1.41 -2.31 115.31 112.12 1u7j h LEU 44 Ca 0.12 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1u7j h LEU 44 Cb 0.33 0.38 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 1u7j h LEU 44 CO 0.01 -0.72 0.42 -0.08 -0.62 0.00 0.00 178.44 177.45 1u7j h GLU 45 N -1.13 1.05 -0.20 1.25 4.81 -1.29 -0.78 114.58 118.29 1u7j h GLU 45 Ca -0.09 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1u7j h GLU 45 Cb 0.92 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1u7j h GLU 45 CO 0.06 0.78 0.14 1.15 -0.73 0.00 0.00 179.01 180.41 1u7j h THR 46 N 1.04 0.98 0.00 0.32 2.02 -1.39 -2.79 112.91 113.09 1u7j h THR 46 Ca 0.27 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1u7j h THR 46 Cb 0.03 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1u7j h THR 46 CO -0.04 0.03 -1.57 -0.38 0.37 0.00 0.00 175.52 173.92 1u7j n ILE 47 N -4.50 0.26 0.14 3.11 -0.00 -0.84 -4.29 119.36 113.24 1u7j n ILE 47 Ca 0.01 -0.51 0.02 0.00 -0.00 0.00 0.00 62.75 62.26 1u7j n ILE 47 Cb 0.17 -0.13 0.11 0.00 -0.00 0.00 0.00 39.64 39.79 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 0.00 0.00 4.38 -1.24 -0.89 -3.49 115.58 114.33 1u7j h ASN 48 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1u7j h ASN 48 Cb 0.99 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.04 1u7j h ASN 48 CO 0.00 0.54 0.00 0.61 -1.29 0.00 0.00 177.43 177.29