#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 2.80 0.06 7.83 5.75 -1.26 -4.32 116.55 127.41 1u7j n ASP 2 Ca 0.00 -2.70 0.00 0.00 -0.01 0.00 0.00 54.79 52.08 1u7j n ASP 2 Cb 0.00 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 38.78 1u7j n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u7j n TYR 3 N 9.11 -0.81 0.21 2.11 4.19 -1.26 -4.91 117.16 125.81 1u7j n TYR 3 Ca 0.49 0.14 0.10 0.00 3.31 0.00 0.00 57.90 61.94 1u7j n TYR 3 Cb 0.42 0.27 0.20 0.00 0.49 0.00 0.00 39.34 40.72 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 -1.34 2.98 3.38 -1.96 -3.25 115.31 115.13 1u7j h LEU 4 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1u7j h LEU 4 Cb 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1u7j h LEU 4 CO 0.00 0.11 0.48 -0.09 0.09 0.00 0.00 178.44 179.03 1u7j h ARG 5 N 0.00 0.82 0.00 1.13 1.12 -1.90 -0.03 114.38 115.52 1u7j h ARG 5 Ca -0.00 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.76 1u7j h ARG 5 Cb 1.02 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.79 1u7j h ARG 5 CO 0.01 0.54 -0.27 0.93 -3.11 0.00 0.00 179.97 178.08 1u7j h GLU 6 N 0.85 0.00 0.14 0.20 5.08 -1.93 -1.83 114.58 117.09 1u7j h GLU 6 Ca 0.30 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.47 1u7j h GLU 6 Cb 0.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.38 1u7j h GLU 6 CO -0.09 0.27 -0.86 -0.07 -1.00 0.00 0.00 179.01 177.26 1u7j h LEU 7 N 0.00 0.46 -0.34 1.33 4.07 -1.42 -3.29 115.31 116.11 1u7j h LEU 7 Ca -0.00 -0.95 0.07 0.00 0.08 0.00 0.00 57.88 57.08 1u7j h LEU 7 Cb 0.58 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.09 1u7j h LEU 7 CO 0.03 1.41 -0.14 0.22 -1.08 0.00 0.00 178.44 178.88 1u7j h TYR 8 N -0.37 -0.33 0.00 1.13 5.03 -0.99 0.98 116.97 122.42 1u7j h TYR 8 Ca -0.15 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1u7j h TYR 8 Cb 1.65 0.20 0.00 0.00 1.55 0.00 0.00 36.73 40.13 1u7j h TYR 8 CO 0.19 -0.21 0.00 0.36 -1.32 0.00 0.00 178.16 177.18 1u7j n LYS 9 N -5.32 0.59 -0.06 1.82 2.85 -0.70 -1.02 118.16 116.32 1u7j n LYS 9 Ca 0.01 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.18 1u7j n LYS 9 Cb 0.24 -1.26 -0.06 0.00 -0.65 0.00 0.00 35.03 33.30 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 -0.76 2.69 -0.07 -5.58 4.77 -0.44 -4.27 117.00 113.34 1u7j n LEU 10 Ca 0.07 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1u7j n LEU 10 Cb 0.03 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 1u7j n LEU 10 CO 0.06 0.64 0.75 -0.33 -1.33 0.00 0.00 177.39 177.18 1u7j h GLU 11 N -0.07 0.35 0.00 3.23 4.39 -0.55 -0.46 114.58 121.48 1u7j h GLU 11 Ca -0.28 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.18 1u7j h GLU 11 Cb 1.41 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1u7j h GLU 11 CO -0.07 0.55 -0.58 1.96 -1.16 0.00 0.00 179.01 179.72 1u7j h GLN 12 N 0.11 0.00 -0.46 2.33 1.08 -1.32 -0.70 115.11 116.16 1u7j h GLN 12 Ca 0.06 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.17 1u7j h GLN 12 Cb 0.39 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1u7j h GLN 12 CO 0.01 0.58 -0.05 1.96 -0.95 0.00 0.00 178.83 180.38 1u7j h GLN 13 N 0.00 0.85 -0.53 1.46 4.20 -1.70 -2.13 115.11 117.24 1u7j h GLN 13 Ca -0.01 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 1u7j h GLN 13 Cb 1.06 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1u7j h GLN 13 CO 0.08 0.92 0.17 0.00 -0.67 0.00 0.00 178.83 179.33 1u7j h ALA 14 N 0.89 0.70 -0.65 3.87 0.00 -1.00 -3.18 119.26 119.89 1u7j h ALA 14 Ca 0.12 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1u7j h ALA 14 Cb 0.58 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1u7j h ALA 14 CO 0.03 0.36 0.28 1.98 0.00 0.00 0.00 179.25 181.90 1u7j h MET 15 N 0.74 0.47 -1.02 0.00 1.85 -0.96 -0.76 114.93 115.25 1u7j h MET 15 Ca 0.17 -0.03 0.27 0.00 -0.61 0.00 0.00 59.70 59.51 1u7j h MET 15 Cb 0.28 -0.11 -0.07 0.00 0.43 0.00 0.00 31.60 32.13 1u7j h MET 15 CO -0.01 0.31 0.69 -0.22 -0.40 0.00 0.00 176.91 177.29 1u7j h LYS 16 N 0.49 0.23 0.04 0.39 3.11 -1.36 -2.68 116.57 116.79 1u7j h LYS 16 Ca 0.32 -0.01 -0.38 0.00 -2.81 0.00 0.00 60.65 57.77 1u7j h LYS 16 Cb 0.38 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.50 1u7j h LYS 16 CO -0.29 0.15 -2.30 1.28 -2.81 0.00 0.00 179.45 175.49 1u7j n LEU 17 N -4.44 2.76 0.04 5.20 4.77 -0.70 -4.06 117.00 120.56 1u7j n LEU 17 Ca 0.23 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.26 1u7j n LEU 17 Cb 0.94 -0.94 0.48 0.00 -2.33 0.00 0.00 43.42 41.58 1u7j n LEU 17 CO 0.32 0.89 1.15 1.88 -1.33 0.00 0.00 177.39 180.30 1u7j h TYR 18 N 0.03 0.40 0.00 -1.77 0.05 -0.85 -0.76 116.97 114.07 1u7j h TYR 18 Ca -0.52 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.26 1u7j h TYR 18 Cb 1.96 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 39.56 1u7j h TYR 18 CO 0.05 0.25 -0.06 0.07 -1.05 0.00 0.00 178.16 177.41 1u7j h ARG 19 N 0.43 0.00 0.00 4.88 -0.00 -1.70 -3.30 114.38 114.70 1u7j h ARG 19 Ca 0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.97 1u7j h ARG 19 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.98 1u7j h ARG 19 CO -0.03 0.06 -0.88 1.49 -0.00 0.00 0.00 179.97 180.61 1u7j h GLU 20 N 0.00 0.00 0.00 0.08 4.22 -1.34 -3.38 114.58 114.16 1u7j h GLU 20 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1u7j h GLU 20 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1u7j h GLU 20 CO 0.01 0.85 -0.08 0.00 -2.18 0.00 0.00 179.01 177.61 1u7j h ALA 21 N -0.47 1.18 -0.24 2.92 0.00 -1.38 -3.36 119.26 117.91 1u7j h ALA 21 Ca -0.23 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1u7j h ALA 21 Cb 1.11 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1u7j h ALA 21 CO -0.14 0.10 -0.04 1.03 0.00 0.00 0.00 179.25 180.19 1u7j h SER 22 N 0.00 -0.19 -0.02 0.00 0.87 -1.75 0.06 113.55 112.52 1u7j h SER 22 Ca -0.00 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1u7j h SER 22 Cb 0.31 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1u7j h SER 22 CO 0.01 -0.06 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.05 1u7j h GLU 23 N 0.02 0.29 -0.05 2.24 4.81 -1.85 0.27 114.58 120.31 1u7j h GLU 23 Ca 0.12 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 1u7j h GLU 23 Cb 0.17 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1u7j h GLU 23 CO -0.24 0.42 -0.59 -0.09 -0.73 0.00 0.00 179.01 177.78 1u7j h ARG 24 N 0.28 0.49 0.22 1.92 1.12 -1.54 -3.35 114.38 113.52 1u7j h ARG 24 Ca 0.06 -0.46 -0.32 0.00 -1.11 0.00 0.00 59.98 58.14 1u7j h ARG 24 Cb 0.39 0.11 0.03 0.00 -0.01 0.00 0.00 29.97 30.49 1u7j h ARG 24 CO 0.02 1.10 -1.44 0.28 -3.11 0.00 0.00 179.97 176.82 1u7j h VAL 25 N 0.05 1.32 -0.13 0.20 2.07 -0.94 -3.49 116.25 115.33 1u7j h VAL 25 Ca -0.06 -2.78 -0.04 0.00 0.82 0.00 0.00 66.70 64.64 1u7j h VAL 25 Cb 1.26 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 34.03 1u7j h VAL 25 CO 0.12 0.83 -0.04 0.61 0.02 0.00 0.00 177.57 179.11 1u7j n GLY 26 N 1.68 0.51 3.81 2.17 0.00 0.08 -5.06 105.19 108.37 1u7j n GLY 26 Ca -0.15 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.97 6.34 0.30 1.61 1.01 -1.26 -5.02 116.67 116.68 1u7j s ASP 27 Ca 0.00 0.40 0.11 0.00 0.71 0.00 0.00 52.55 53.77 1u7j s ASP 27 Cb 0.00 -2.09 0.47 0.00 1.01 0.00 0.00 42.92 42.31 1u7j s ASP 27 CO 0.00 0.29 1.68 1.55 0.21 0.00 0.00 175.17 178.90 1u7j h PRO 28 N 5.77 0.00 -0.05 8.23 0.13 -1.97 -2.87 132.00 141.25 1u7j h PRO 28 Ca -0.48 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1u7j h PRO 28 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1u7j h PRO 28 CO 0.67 0.54 -0.19 -0.24 -0.23 0.00 0.00 178.00 178.54 1u7j h VAL 29 N 0.00 1.17 -0.66 1.56 3.04 -1.98 -1.76 116.25 117.61 1u7j h VAL 29 Ca -0.01 -0.77 -0.01 0.00 -1.01 0.00 0.00 66.70 64.90 1u7j h VAL 29 Cb 0.96 1.35 -0.03 0.00 -2.01 0.00 0.00 31.29 31.55 1u7j h VAL 29 CO 0.07 0.23 0.37 0.25 -1.01 0.00 0.00 177.57 177.48 1u7j h LEU 30 N 0.07 0.82 -0.82 3.16 6.46 -1.92 0.01 115.31 123.09 1u7j h LEU 30 Ca 0.01 -0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.57 1u7j h LEU 30 Cb 0.39 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1u7j h LEU 30 CO 0.03 0.67 -0.30 0.00 -0.62 0.00 0.00 178.44 178.22 1u7j h ALA 31 N 1.18 0.99 -0.29 1.25 0.00 -1.52 -2.83 119.26 118.05 1u7j h ALA 31 Ca 0.23 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1u7j h ALA 31 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1u7j h ALA 31 CO -0.04 0.60 -0.07 -0.22 0.00 0.00 0.00 179.25 179.52 1u7j h LYS 32 N 0.46 0.46 -0.16 0.00 1.63 -0.89 -3.18 116.57 114.89 1u7j h LYS 32 Ca 0.06 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1u7j h LYS 32 Cb 0.76 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1u7j h LYS 32 CO 0.06 0.55 0.01 0.82 -3.45 0.00 0.00 179.45 177.44 1u7j h ILE 33 N 0.44 1.24 0.00 2.00 2.04 -0.75 -2.16 117.51 120.32 1u7j h ILE 33 Ca 0.09 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 1u7j h ILE 33 Cb 0.40 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1u7j h ILE 33 CO 0.02 0.23 -0.17 0.17 0.00 0.00 0.00 178.15 178.40 1u7j h LEU 34 N 0.04 0.00 -0.35 1.44 8.10 -1.60 -1.53 115.31 121.41 1u7j h LEU 34 Ca 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.98 1u7j h LEU 34 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1u7j h LEU 34 CO 0.01 0.17 0.01 -0.33 -4.11 0.00 0.00 178.44 174.20 1u7j h GLU 35 N 0.00 0.61 -0.28 0.17 4.39 -1.48 -3.16 114.58 114.83 1u7j h GLU 35 Ca -0.00 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.38 1u7j h GLU 35 Cb 0.38 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1u7j h GLU 35 CO 0.02 0.71 -0.37 -0.44 -1.16 0.00 0.00 179.01 177.78 1u7j h ASP 36 N 0.43 0.68 0.45 1.42 3.32 -0.86 -2.98 116.42 118.88 1u7j h ASP 36 Ca 0.10 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1u7j h ASP 36 Cb 0.43 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1u7j h ASP 36 CO 0.02 0.98 0.00 -0.62 -1.72 0.00 0.00 179.24 177.90 1u7j n GLU 37 N -4.05 0.08 -0.14 3.56 -0.58 -0.62 -2.93 120.64 115.96 1u7j n GLU 37 Ca -0.01 0.38 -0.12 0.00 -0.42 0.00 0.00 57.16 56.99 1u7j n GLU 37 Cb 0.50 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 29.69 1u7j n GLU 37 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1u7j h GLU 38 N 0.00 0.86 -0.81 3.49 5.08 -1.48 -2.95 114.58 118.77 1u7j h GLU 38 Ca 0.00 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.04 1u7j h GLU 38 Cb 0.23 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1u7j h GLU 38 CO 0.00 1.01 0.53 0.87 -1.00 0.00 0.00 179.01 180.42 1u7j h LYS 39 N 0.68 0.91 0.00 2.33 6.56 -1.71 -1.06 116.57 124.28 1u7j h LYS 39 Ca 0.09 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1u7j h LYS 39 Cb 0.75 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1u7j h LYS 39 CO 0.06 0.60 0.00 0.72 -2.06 0.00 0.00 179.45 178.77 1u7j n HIS 40 N -4.47 0.00 -0.03 -1.35 8.25 -1.12 -0.84 115.22 115.66 1u7j n HIS 40 Ca 0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1u7j n HIS 40 Cb 0.17 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.95 0.35 0.30 1.59 2.08 -0.71 -4.15 119.36 117.88 1u7j n ILE 41 Ca 0.13 -0.14 -0.17 0.00 0.56 0.00 0.00 62.75 63.13 1u7j n ILE 41 Cb 0.06 -0.73 -0.08 0.00 -0.75 0.00 0.00 39.64 38.14 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 -0.85 -0.69 0.38 4.81 -1.03 -0.28 114.58 116.92 1u7j h GLU 42 Ca -0.14 0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1u7j h GLU 42 Cb 1.22 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 1u7j h GLU 42 CO -0.02 -0.56 0.19 -1.49 -0.73 0.00 0.00 179.01 176.40 1u7j h TRP 43 N -0.88 1.12 0.00 0.92 6.55 -1.26 -1.33 115.95 121.08 1u7j h TRP 43 Ca -0.06 -0.12 -0.06 0.00 0.95 0.00 0.00 58.89 59.60 1u7j h TRP 43 Cb 0.74 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.70 1u7j h TRP 43 CO -0.14 0.90 -0.31 1.25 -1.05 0.00 0.00 178.44 179.09 1u7j h LEU 44 N 1.04 0.00 0.06 -4.49 5.85 -1.70 -0.36 115.31 115.70 1u7j h LEU 44 Ca 0.22 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1u7j h LEU 44 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1u7j h LEU 44 CO -0.00 0.31 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.29 1u7j h GLU 45 N 0.00 -0.08 -0.74 1.25 4.81 -0.79 -3.29 114.58 115.74 1u7j h GLU 45 Ca -0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1u7j h GLU 45 Cb 0.55 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 1u7j h GLU 45 CO 0.04 0.51 0.44 1.15 -0.73 0.00 0.00 179.01 180.42 1u7j h THR 46 N -0.77 1.02 0.00 0.32 2.02 -0.97 -1.83 112.91 112.71 1u7j h THR 46 Ca -0.01 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1u7j h THR 46 Cb 0.62 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1u7j h THR 46 CO 0.01 0.15 0.00 -0.38 0.37 0.00 0.00 175.52 175.67 1u7j n ILE 47 N -4.70 0.46 1.10 3.11 -0.00 -0.17 -2.70 119.36 116.45 1u7j n ILE 47 Ca 0.09 0.11 0.13 0.00 -0.00 0.00 0.00 62.75 63.09 1u7j n ILE 47 Cb 0.15 -0.74 0.40 0.00 -0.00 0.00 0.00 39.64 39.45 1u7j n ILE 47 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1u7j n ASN 48 N -1.46 0.46 0.00 4.38 5.15 -0.69 -5.09 115.26 118.01 1u7j n ASN 48 Ca 0.06 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1u7j n ASN 48 Cb 0.24 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27