#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 6.76 0.09 6.12 1.01 -1.26 -4.82 116.67 124.56 1u7j s ASP 2 Ca 0.00 2.42 0.00 0.00 0.71 0.00 0.00 52.55 55.68 1u7j s ASP 2 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1u7j s ASP 2 CO 0.00 -0.70 0.00 0.00 0.21 0.00 0.00 175.17 174.68 1u7j n TYR 3 N 3.86 -1.96 0.21 4.23 9.36 -1.26 -4.92 117.16 126.69 1u7j n TYR 3 Ca 0.12 0.25 0.06 0.00 3.32 0.00 0.00 57.90 61.65 1u7j n TYR 3 Cb 0.41 0.96 0.48 0.00 -0.63 0.00 0.00 39.34 40.56 1u7j n TYR 3 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 1u7j h LEU 4 N 0.00 0.00 -0.23 2.98 8.10 -1.96 -0.58 115.31 123.62 1u7j h LEU 4 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 1u7j h LEU 4 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1u7j h LEU 4 CO 0.00 0.27 -0.06 0.03 -4.11 0.00 0.00 178.44 174.57 1u7j h ARG 5 N 0.00 0.44 -0.91 0.17 2.47 -1.94 0.73 114.38 115.34 1u7j h ARG 5 Ca -0.00 -0.17 0.04 0.00 -1.26 0.00 0.00 59.98 58.58 1u7j h ARG 5 Cb 0.53 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.77 1u7j h ARG 5 CO 0.03 0.68 0.59 0.93 0.56 0.00 0.00 179.97 182.77 1u7j h GLU 6 N 0.18 1.11 0.68 0.04 5.08 -1.76 0.08 114.58 119.98 1u7j h GLU 6 Ca 0.06 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1u7j h GLU 6 Cb 0.52 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1u7j h GLU 6 CO 0.02 0.73 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.37 1u7j h LEU 7 N 1.14 -0.78 -0.40 1.33 4.07 -1.04 -1.63 115.31 118.01 1u7j h LEU 7 Ca 0.37 0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.42 1u7j h LEU 7 Cb 0.01 0.20 -0.09 0.00 1.08 0.00 0.00 40.66 41.86 1u7j h LEU 7 CO -0.12 -0.53 -0.33 0.22 -1.08 0.00 0.00 178.44 176.60 1u7j h TYR 8 N -0.95 -0.91 0.00 1.13 5.03 -0.68 0.18 116.97 120.77 1u7j h TYR 8 Ca -0.09 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1u7j h TYR 8 Cb 0.71 0.46 0.00 0.00 1.55 0.00 0.00 36.73 39.45 1u7j h TYR 8 CO -0.02 -0.38 0.00 0.36 -1.32 0.00 0.00 178.16 176.80 1u7j n LYS 9 N -5.42 0.80 -0.13 1.82 2.85 -0.00 -0.81 118.16 117.27 1u7j n LYS 9 Ca 0.01 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.02 1u7j n LYS 9 Cb 0.34 -1.33 -0.11 0.00 -0.65 0.00 0.00 35.03 33.27 1u7j n LYS 9 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1u7j n LEU 10 N -0.83 2.36 0.06 -5.58 4.77 -0.62 -4.34 117.00 112.82 1u7j n LEU 10 Ca 0.13 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1u7j n LEU 10 Cb 0.06 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 40.21 1u7j n LEU 10 CO 0.10 0.71 0.16 -0.33 -1.33 0.00 0.00 177.39 176.70 1u7j h GLU 11 N -0.58 0.48 -0.06 3.23 4.39 -0.02 0.15 114.58 122.16 1u7j h GLU 11 Ca -0.63 -0.52 -0.18 0.00 0.34 0.00 0.00 59.36 58.38 1u7j h GLU 11 Cb 1.72 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.51 1u7j h GLU 11 CO -0.27 1.16 -0.73 1.96 -1.16 0.00 0.00 179.01 179.98 1u7j h GLN 12 N 0.27 0.33 -0.70 2.33 1.08 -1.21 -0.33 115.11 116.88 1u7j h GLN 12 Ca -0.09 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.83 1u7j h GLN 12 Cb 1.60 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 29.05 1u7j h GLN 12 CO 0.17 0.92 0.42 1.96 -0.95 0.00 0.00 178.83 181.35 1u7j h GLN 13 N 0.22 0.95 -0.62 1.46 1.08 -1.70 -2.83 115.11 113.68 1u7j h GLN 13 Ca -0.03 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.00 1u7j h GLN 13 Cb 1.29 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 1u7j h GLN 13 CO 0.12 0.69 0.07 0.00 -0.95 0.00 0.00 178.83 178.75 1u7j h ALA 14 N 1.22 0.95 -0.83 3.87 0.00 -0.62 -3.22 119.26 120.63 1u7j h ALA 14 Ca 0.25 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1u7j h ALA 14 Cb -0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 1u7j h ALA 14 CO -0.05 0.65 0.51 1.98 0.00 0.00 0.00 179.25 182.34 1u7j h MET 15 N 0.96 0.92 -0.34 0.00 1.85 -0.81 0.19 114.93 117.71 1u7j h MET 15 Ca 0.19 -0.06 0.08 0.00 -0.61 0.00 0.00 59.70 59.30 1u7j h MET 15 Cb 0.46 -0.21 -0.02 0.00 0.43 0.00 0.00 31.60 32.27 1u7j h MET 15 CO 0.02 0.61 0.24 0.87 -0.40 0.00 0.00 176.91 178.25 1u7j h LYS 16 N 0.95 0.08 0.03 0.39 1.57 -1.54 -3.00 116.57 115.05 1u7j h LYS 16 Ca 0.35 -0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.77 1u7j h LYS 16 Cb 0.13 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1u7j h LYS 16 CO -0.16 0.05 -2.20 1.28 -0.57 0.00 0.00 179.45 177.85 1u7j n LEU 17 N -4.46 1.80 -0.34 2.94 4.77 -0.11 -3.14 117.00 118.46 1u7j n LEU 17 Ca 0.05 0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 56.07 1u7j n LEU 17 Cb 0.36 -0.43 0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1u7j n LEU 17 CO 0.35 0.71 1.19 1.88 -1.33 0.00 0.00 177.39 180.20 1u7j h TYR 18 N 0.02 1.24 -0.78 -1.77 0.05 -0.71 0.93 116.97 115.94 1u7j h TYR 18 Ca -0.48 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.24 1u7j h TYR 18 Cb 2.04 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 39.34 1u7j h TYR 18 CO 0.03 0.84 0.33 0.07 -1.05 0.00 0.00 178.16 178.38 1u7j h ARG 19 N 1.27 1.16 0.01 4.88 0.11 -1.68 -2.58 114.38 117.54 1u7j h ARG 19 Ca 0.32 -0.20 -0.03 0.00 0.10 0.00 0.00 59.98 60.18 1u7j h ARG 19 Cb -0.00 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 30.88 1u7j h ARG 19 CO -0.06 0.93 -0.11 1.49 0.10 0.00 0.00 179.97 182.32 1u7j h GLU 20 N 1.13 0.06 -0.81 0.08 4.81 -1.34 -2.44 114.58 116.07 1u7j h GLU 20 Ca 0.26 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1u7j h GLU 20 Cb 0.18 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1u7j h GLU 20 CO -0.03 0.89 0.52 0.00 -0.73 0.00 0.00 179.01 179.66 1u7j h ALA 21 N 0.18 1.06 -0.20 2.92 0.00 -0.98 -2.76 119.26 119.47 1u7j h ALA 21 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1u7j h ALA 21 Cb 0.93 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1u7j h ALA 21 CO 0.02 0.34 -0.02 1.03 0.00 0.00 0.00 179.25 180.62 1u7j h SER 22 N 1.01 -0.12 -0.47 0.00 0.87 -1.48 0.73 113.55 114.10 1u7j h SER 22 Ca 0.32 0.05 0.13 0.00 -1.23 0.00 0.00 61.79 61.06 1u7j h SER 22 Cb 0.00 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1u7j h SER 22 CO -0.11 -0.03 0.33 -0.08 -0.53 0.00 0.00 176.83 176.41 1u7j h GLU 23 N 0.04 0.02 0.00 2.24 4.81 -1.15 -0.04 114.58 120.50 1u7j h GLU 23 Ca 0.10 -0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.95 1u7j h GLU 23 Cb 0.13 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 1u7j h GLU 23 CO -0.18 0.02 -2.40 -2.13 -0.73 0.00 0.00 179.01 173.59 1u7j n ARG 24 N -4.41 0.68 0.06 1.92 3.00 -0.99 -4.57 116.66 112.36 1u7j n ARG 24 Ca 0.08 0.03 -0.15 0.00 -0.00 0.00 0.00 57.85 57.81 1u7j n ARG 24 Cb 0.53 -1.52 -0.14 0.00 0.00 0.00 0.00 32.46 31.32 1u7j n ARG 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1u7j h VAL 25 N 0.00 1.19 0.00 5.15 2.07 -0.74 -3.49 116.25 120.43 1u7j h VAL 25 Ca -0.55 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.11 1u7j h VAL 25 Cb 2.18 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 34.69 1u7j h VAL 25 CO 0.01 0.81 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1u7j n GLY 26 N 1.62 0.52 3.74 2.17 0.00 -0.04 -5.05 105.19 108.16 1u7j n GLY 26 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.07 7.32 0.26 1.61 1.01 -1.26 -5.00 116.67 118.55 1u7j s ASP 27 Ca 0.00 1.58 0.02 0.00 0.71 0.00 0.00 52.55 54.86 1u7j s ASP 27 Cb 0.00 -2.51 0.35 0.00 1.01 0.00 0.00 42.92 41.77 1u7j s ASP 27 CO 0.00 0.02 1.68 1.55 0.21 0.00 0.00 175.17 178.63 1u7j h PRO 28 N 5.44 0.48 -0.44 8.23 0.13 -1.96 -2.63 132.00 141.25 1u7j h PRO 28 Ca -0.44 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 1u7j h PRO 28 Cb 1.21 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1u7j h PRO 28 CO 0.70 0.74 0.23 -0.24 -0.23 0.00 0.00 178.00 179.20 1u7j h VAL 29 N 0.42 1.14 -0.71 1.56 3.04 -1.98 -1.42 116.25 118.30 1u7j h VAL 29 Ca 0.05 -0.39 -0.07 0.00 -1.01 0.00 0.00 66.70 65.29 1u7j h VAL 29 Cb 0.76 0.57 -0.03 0.00 -2.01 0.00 0.00 31.29 30.58 1u7j h VAL 29 CO 0.06 0.16 0.16 0.25 -1.01 0.00 0.00 177.57 177.19 1u7j h LEU 30 N 0.61 1.08 -0.67 3.16 6.46 -1.87 -0.84 115.31 123.24 1u7j h LEU 30 Ca 0.16 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1u7j h LEU 30 Cb 0.04 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.66 1u7j h LEU 30 CO -0.02 1.04 0.32 0.00 -0.62 0.00 0.00 178.44 179.15 1u7j h ALA 31 N 1.08 0.86 0.00 1.25 0.00 -1.34 -2.86 119.26 118.25 1u7j h ALA 31 Ca 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1u7j h ALA 31 Cb 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u7j h ALA 31 CO 0.00 0.43 -0.15 0.87 0.00 0.00 0.00 179.25 180.40 1u7j h LYS 32 N 0.93 0.00 -0.61 0.00 1.57 -0.80 -3.05 116.57 114.61 1u7j h LYS 32 Ca 0.23 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1u7j h LYS 32 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1u7j h LYS 32 CO -0.03 0.15 0.04 0.82 -0.57 0.00 0.00 179.45 179.87 1u7j h ILE 33 N 0.00 1.26 -0.03 1.86 2.04 -0.92 -2.34 117.51 119.38 1u7j h ILE 33 Ca -0.00 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 1u7j h ILE 33 Cb 0.48 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1u7j h ILE 33 CO 0.02 0.40 -0.15 0.17 0.00 0.00 0.00 178.15 178.59 1u7j h LEU 34 N 0.96 0.05 -0.37 1.44 8.10 -1.60 -1.29 115.31 122.59 1u7j h LEU 34 Ca 0.18 -0.01 -0.17 0.00 0.11 0.00 0.00 57.88 58.00 1u7j h LEU 34 Cb 0.49 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.70 1u7j h LEU 34 CO 0.02 0.20 -0.41 -0.33 -4.11 0.00 0.00 178.44 173.81 1u7j h GLU 35 N 0.05 0.94 -0.42 0.17 4.39 -1.54 -2.89 114.58 115.28 1u7j h GLU 35 Ca 0.01 -0.51 -0.12 0.00 0.34 0.00 0.00 59.36 59.08 1u7j h GLU 35 Cb 0.29 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1u7j h GLU 35 CO 0.02 1.16 -0.20 -0.44 -1.16 0.00 0.00 179.01 178.39 1u7j h ASP 36 N 0.76 0.90 0.15 1.42 3.32 -1.08 -2.80 116.42 119.09 1u7j h ASP 36 Ca 0.05 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1u7j h ASP 36 Cb 1.01 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1u7j h ASP 36 CO 0.10 1.11 0.00 -0.62 -1.72 0.00 0.00 179.24 178.11 1u7j n GLU 37 N -4.21 0.26 0.04 3.56 -0.58 -0.52 -3.51 120.64 115.69 1u7j n GLU 37 Ca -0.01 0.11 -0.22 0.00 -0.42 0.00 0.00 57.16 56.62 1u7j n GLU 37 Cb 0.44 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.66 1u7j n GLU 37 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1u7j h GLU 38 N 0.00 0.31 -0.73 3.49 4.22 -1.27 -3.27 114.58 117.33 1u7j h GLU 38 Ca 0.00 -0.53 -0.05 0.00 0.08 0.00 0.00 59.36 58.86 1u7j h GLU 38 Cb 0.08 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1u7j h GLU 38 CO 0.00 1.25 0.28 0.87 -2.18 0.00 0.00 179.01 179.23 1u7j h LYS 39 N -0.17 1.10 0.00 1.92 6.56 -1.67 -3.09 116.57 121.22 1u7j h LYS 39 Ca -0.29 -0.21 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1u7j h LYS 39 Cb 1.86 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 33.35 1u7j h LYS 39 CO 0.11 0.92 0.12 0.72 -2.06 0.00 0.00 179.45 179.26 1u7j n HIS 40 N -4.32 0.00 0.00 -1.35 8.25 -1.24 -1.95 115.22 114.61 1u7j n HIS 40 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1u7j n HIS 40 Cb 0.19 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.34 0.00 0.28 1.59 0.13 -1.17 -4.03 119.36 114.82 1u7j n ILE 41 Ca 0.00 0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.49 1u7j n ILE 41 Cb 0.12 -0.44 -0.08 0.00 -0.84 0.00 0.00 39.64 38.40 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 -0.66 -0.35 9.51 5.08 -1.47 -3.10 114.58 123.60 1u7j h GLU 42 Ca 0.00 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1u7j h GLU 42 Cb 0.59 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1u7j h GLU 42 CO 0.00 -0.38 0.17 -1.49 -1.00 0.00 0.00 179.01 176.31 1u7j h TRP 43 N -0.82 0.46 -0.16 4.33 6.55 -1.66 -2.87 115.95 121.79 1u7j h TRP 43 Ca -0.07 -0.00 0.04 0.00 0.95 0.00 0.00 58.89 59.80 1u7j h TRP 43 Cb 0.58 -0.15 -0.04 0.00 -0.86 0.00 0.00 29.16 28.69 1u7j h TRP 43 CO -0.01 0.35 -0.08 1.25 -1.05 0.00 0.00 178.44 178.89 1u7j h LEU 44 N 0.48 -0.27 -0.61 -4.49 6.46 -1.69 -0.78 115.31 114.42 1u7j h LEU 44 Ca 0.12 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1u7j h LEU 44 Cb 0.05 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1u7j h LEU 44 CO -0.02 -0.11 0.15 -0.08 -0.62 0.00 0.00 178.44 177.76 1u7j h GLU 45 N -0.07 0.97 -0.79 1.25 4.81 -1.45 -2.90 114.58 116.40 1u7j h GLU 45 Ca 0.09 -0.23 0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1u7j h GLU 45 Cb 0.20 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1u7j h GLU 45 CO -0.20 0.88 0.52 1.15 -0.73 0.00 0.00 179.01 180.63 1u7j h THR 46 N 0.88 1.04 0.00 0.32 2.02 -1.24 -2.21 112.91 113.73 1u7j h THR 46 Ca 0.19 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1u7j h THR 46 Cb 0.35 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1u7j h THR 46 CO 0.00 0.16 0.00 -0.38 0.37 0.00 0.00 175.52 175.67 1u7j n ILE 47 N -4.48 1.29 0.55 3.11 2.08 -0.34 -1.75 119.36 119.82 1u7j n ILE 47 Ca 0.12 0.38 0.12 0.00 0.56 0.00 0.00 62.75 63.93 1u7j n ILE 47 Cb 0.21 -1.27 0.45 0.00 -0.75 0.00 0.00 39.64 38.28 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 -1.71 0.50 0.00 4.38 5.15 -0.83 -5.10 115.26 117.65 1u7j n ASN 48 Ca 0.02 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 1u7j n ASN 48 Cb 0.11 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27