#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 -0.79 0.01 6.12 8.00 -1.26 -4.71 116.55 123.92 1u7j n ASP 2 Ca 0.00 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1u7j n ASP 2 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 41.12 39.15 1u7j n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u7j n TYR 3 N -4.35 -0.78 -0.00 1.24 9.36 -1.26 -4.98 117.16 116.38 1u7j n TYR 3 Ca -0.11 0.06 0.16 0.00 3.32 0.00 0.00 57.90 61.33 1u7j n TYR 3 Cb 0.58 0.58 0.62 0.00 -0.63 0.00 0.00 39.34 40.48 1u7j n TYR 3 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1u7j h LEU 4 N 0.00 0.13 -0.99 2.98 4.07 -2.01 -1.97 115.31 117.52 1u7j h LEU 4 Ca 0.00 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.09 1u7j h LEU 4 Cb 0.00 -0.02 -0.09 0.00 1.08 0.00 0.00 40.66 41.63 1u7j h LEU 4 CO 0.00 0.08 0.62 0.03 -1.08 0.00 0.00 178.44 178.09 1u7j h ARG 5 N 0.15 0.93 -0.31 1.13 -0.00 -1.97 -0.04 114.38 114.27 1u7j h ARG 5 Ca 0.24 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.98 59.58 1u7j h ARG 5 Cb 0.74 -0.21 -0.02 0.00 0.00 0.00 0.00 29.97 30.48 1u7j h ARG 5 CO -0.03 0.62 -0.14 0.93 0.00 0.00 0.00 179.97 181.35 1u7j h GLU 6 N 0.96 0.53 -0.22 0.04 5.08 -1.75 -1.20 114.58 118.02 1u7j h GLU 6 Ca 0.50 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.55 1u7j h GLU 6 Cb 0.52 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1u7j h GLU 6 CO -0.28 0.66 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.89 1u7j h LEU 7 N 0.49 0.77 -0.50 1.33 4.07 -1.35 -2.29 115.31 117.83 1u7j h LEU 7 Ca 0.09 -0.54 0.10 0.00 0.08 0.00 0.00 57.88 57.60 1u7j h LEU 7 Cb 0.53 -0.22 -0.10 0.00 1.08 0.00 0.00 40.66 41.94 1u7j h LEU 7 CO 0.03 1.17 -0.18 0.22 -1.08 0.00 0.00 178.44 178.60 1u7j h TYR 8 N 0.40 -0.42 0.00 1.13 5.03 -0.98 0.19 116.97 122.32 1u7j h TYR 8 Ca 0.01 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1u7j h TYR 8 Cb 1.04 0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.58 1u7j h TYR 8 CO 0.09 -0.27 0.00 1.63 -1.32 0.00 0.00 178.16 178.29 1u7j n LYS 9 N -5.39 0.50 -0.01 1.82 4.01 -0.46 -2.06 118.16 116.57 1u7j n LYS 9 Ca 0.04 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.83 1u7j n LYS 9 Cb 0.30 -1.08 -0.01 0.00 -0.51 0.00 0.00 35.03 33.73 1u7j n LYS 9 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1u7j n LEU 10 N -0.58 2.38 -0.03 -0.35 4.77 -0.45 -4.56 117.00 118.18 1u7j n LEU 10 Ca 0.02 -0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 1u7j n LEU 10 Cb 0.01 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 40.94 1u7j n LEU 10 CO 0.02 0.42 0.45 -0.33 -1.33 0.00 0.00 177.39 176.62 1u7j h GLU 11 N -0.01 0.22 -0.17 3.23 4.39 -0.52 -0.43 114.58 121.29 1u7j h GLU 11 Ca -0.04 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.36 1u7j h GLU 11 Cb 1.05 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1u7j h GLU 11 CO -0.01 0.86 -0.39 1.96 -1.16 0.00 0.00 179.01 180.27 1u7j h GLN 12 N -0.35 0.37 -0.10 2.33 1.08 -1.65 -1.22 115.11 115.57 1u7j h GLN 12 Ca -0.02 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1u7j h GLN 12 Cb 0.91 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1u7j h GLN 12 CO 0.05 0.70 0.06 1.96 -0.95 0.00 0.00 178.83 180.65 1u7j h GLN 13 N 0.31 0.13 -0.47 1.46 1.08 -1.72 -1.84 115.11 114.07 1u7j h GLN 13 Ca 0.03 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1u7j h GLN 13 Cb 0.82 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 1u7j h GLN 13 CO 0.07 0.12 0.25 0.00 -0.95 0.00 0.00 178.83 178.32 1u7j h ALA 14 N 1.01 0.60 -0.70 3.87 0.00 -1.00 -3.02 119.26 120.02 1u7j h ALA 14 Ca 0.04 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1u7j h ALA 14 Cb 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 1u7j h ALA 14 CO -0.01 0.14 0.32 1.98 0.00 0.00 0.00 179.25 181.68 1u7j h MET 15 N 0.62 0.52 -0.99 0.00 1.85 -1.07 -0.41 114.93 115.45 1u7j h MET 15 Ca 0.16 -0.03 0.13 0.00 -0.61 0.00 0.00 59.70 59.35 1u7j h MET 15 Cb 0.07 -0.12 -0.09 0.00 0.43 0.00 0.00 31.60 31.89 1u7j h MET 15 CO -0.03 0.34 0.62 -0.22 -0.40 0.00 0.00 176.91 177.22 1u7j h LYS 16 N 0.53 0.92 0.16 0.39 3.11 -1.21 -2.43 116.57 118.04 1u7j h LYS 16 Ca 0.35 -0.06 -0.30 0.00 -2.81 0.00 0.00 60.65 57.84 1u7j h LYS 16 Cb 0.42 -0.21 0.02 0.00 -1.00 0.00 0.00 32.23 31.47 1u7j h LYS 16 CO -0.30 0.61 -1.31 -0.07 -2.81 0.00 0.00 179.45 175.57 1u7j h LEU 17 N 0.94 0.62 -1.21 5.20 3.38 -1.29 -3.16 115.31 119.79 1u7j h LEU 17 Ca 0.50 -0.64 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1u7j h LEU 17 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1u7j h LEU 17 CO -0.28 1.49 -0.29 1.88 0.09 0.00 0.00 178.44 181.33 1u7j h TYR 18 N 0.13 0.20 -0.08 1.13 0.05 -0.71 -0.67 116.97 117.01 1u7j h TYR 18 Ca -0.18 -0.04 -0.16 0.00 0.05 0.00 0.00 58.73 58.41 1u7j h TYR 18 Cb 2.01 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 39.69 1u7j h TYR 18 CO 0.09 0.45 -0.64 0.07 -1.05 0.00 0.00 178.16 177.09 1u7j h ARG 19 N 0.16 0.32 0.18 4.88 0.11 -1.55 -3.23 114.38 115.25 1u7j h ARG 19 Ca 0.02 -0.23 -0.01 0.00 0.10 0.00 0.00 59.98 59.87 1u7j h ARG 19 Cb 0.59 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1u7j h ARG 19 CO 0.04 0.85 -0.09 1.49 0.10 0.00 0.00 179.97 182.36 1u7j h GLU 20 N 0.23 -0.24 0.00 0.08 4.22 -1.31 -3.23 114.58 114.33 1u7j h GLU 20 Ca -0.01 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1u7j h GLU 20 Cb 1.17 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1u7j h GLU 20 CO 0.10 0.16 0.00 0.00 -2.18 0.00 0.00 179.01 177.10 1u7j n ALA 21 N -2.49 1.76 0.00 2.92 0.00 -0.34 -4.10 120.51 118.27 1u7j n ALA 21 Ca -0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 1u7j n ALA 21 Cb 0.26 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 1u7j n ALA 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u7j h SER 22 N 0.00 -0.31 -0.56 0.00 0.87 -1.57 0.93 113.55 112.92 1u7j h SER 22 Ca 0.00 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1u7j h SER 22 Cb 0.27 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 1u7j h SER 22 CO 0.00 -0.13 0.28 -0.08 -0.53 0.00 0.00 176.83 176.37 1u7j h GLU 23 N -0.12 0.82 0.00 2.24 4.22 -1.80 -0.96 114.58 118.98 1u7j h GLU 23 Ca 0.07 -0.10 -0.18 0.00 0.08 0.00 0.00 59.36 59.23 1u7j h GLU 23 Cb 0.23 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1u7j h GLU 23 CO -0.18 0.64 -0.88 -0.09 -2.18 0.00 0.00 179.01 176.32 1u7j h ARG 24 N 0.82 0.00 0.04 1.92 9.65 -1.61 -3.37 114.38 121.84 1u7j h ARG 24 Ca 0.20 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.74 1u7j h ARG 24 Cb 0.09 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 1u7j h ARG 24 CO -0.03 0.85 -1.94 0.28 2.80 0.00 0.00 179.97 181.94 1u7j n VAL 25 N -3.31 1.61 0.00 0.20 0.31 0.26 -5.01 118.33 112.40 1u7j n VAL 25 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1u7j n VAL 25 Cb 0.89 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 1.73 1.81 3.77 2.92 0.00 -0.37 -5.00 105.19 110.04 1u7j n GLY 26 Ca -0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.20 6.53 0.31 1.61 1.01 -1.26 -4.96 116.67 116.72 1u7j s ASP 27 Ca 0.00 2.89 0.15 0.00 0.71 0.00 0.00 52.55 56.30 1u7j s ASP 27 Cb 0.00 -2.66 0.44 0.00 1.01 0.00 0.00 42.92 41.71 1u7j s ASP 27 CO 0.00 -0.73 1.62 1.55 0.21 0.00 0.00 175.17 177.82 1u7j h PRO 28 N 3.26 0.00 0.00 8.23 0.13 -1.99 -3.24 132.00 138.39 1u7j h PRO 28 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1u7j h PRO 28 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1u7j h PRO 28 CO 0.65 0.51 -0.00 -0.24 -0.23 0.00 0.00 178.00 178.69 1u7j h VAL 29 N 0.00 0.02 -0.71 1.56 3.04 -2.01 -1.44 116.25 116.70 1u7j h VAL 29 Ca -0.01 -0.42 0.10 0.00 -1.01 0.00 0.00 66.70 65.37 1u7j h VAL 29 Cb 1.09 1.41 -0.05 0.00 -2.01 0.00 0.00 31.29 31.73 1u7j h VAL 29 CO 0.07 0.00 0.47 -0.07 -1.01 0.00 0.00 177.57 177.03 1u7j h LEU 30 N 0.00 0.52 -1.27 3.16 4.07 -1.97 -0.89 115.31 118.93 1u7j h LEU 30 Ca -0.00 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1u7j h LEU 30 Cb 0.41 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 1u7j h LEU 30 CO 0.00 0.31 0.09 0.00 -1.08 0.00 0.00 178.44 177.76 1u7j h ALA 31 N 1.64 1.41 -0.01 1.53 0.00 -1.48 -0.61 119.26 121.75 1u7j h ALA 31 Ca 0.33 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 1u7j h ALA 31 Cb 0.52 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.17 1u7j h ALA 31 CO -0.11 0.43 -1.02 -0.22 0.00 0.00 0.00 179.25 178.32 1u7j h LYS 32 N 0.58 0.69 -0.23 0.00 1.63 -1.43 -2.89 116.57 114.92 1u7j h LYS 32 Ca 0.13 -0.73 0.03 0.00 -0.85 0.00 0.00 60.65 59.23 1u7j h LYS 32 Cb 0.23 0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 1u7j h LYS 32 CO -0.00 1.31 0.03 0.82 -3.45 0.00 0.00 179.45 178.16 1u7j h ILE 33 N 0.40 0.87 -0.67 2.00 2.04 -0.97 -2.47 117.51 118.71 1u7j h ILE 33 Ca -0.12 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.77 1u7j h ILE 33 Cb 1.67 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 1u7j h ILE 33 CO 0.20 0.02 0.36 -0.07 0.00 0.00 0.00 178.15 178.66 1u7j h LEU 34 N 0.11 0.51 -0.80 1.44 3.38 -1.17 -2.20 115.31 116.58 1u7j h LEU 34 Ca 0.11 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1u7j h LEU 34 Cb 0.12 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1u7j h LEU 34 CO -0.16 0.32 0.53 -0.33 0.09 0.00 0.00 178.44 178.89 1u7j h GLU 35 N 0.65 1.03 -0.25 1.13 4.39 -1.27 -2.28 114.58 117.99 1u7j h GLU 35 Ca 0.31 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 1u7j h GLU 35 Cb 0.24 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1u7j h GLU 35 CO -0.21 0.68 0.05 -0.44 -1.16 0.00 0.00 179.01 177.93 1u7j h ASP 36 N 1.06 0.39 0.47 1.42 3.32 -1.12 -3.17 116.42 118.78 1u7j h ASP 36 Ca 0.30 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1u7j h ASP 36 Cb -0.10 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1u7j h ASP 36 CO -0.07 0.53 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.63 1u7j h GLU 37 N 0.23 0.00 -0.17 3.56 4.39 -0.97 -2.49 114.58 119.12 1u7j h GLU 37 Ca 0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1u7j h GLU 37 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1u7j h GLU 37 CO 0.00 0.02 0.01 0.93 -1.16 0.00 0.00 179.01 178.81 1u7j h GLU 38 N 0.00 0.30 -0.55 2.33 5.08 -1.39 -3.11 114.58 117.24 1u7j h GLU 38 Ca -0.00 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1u7j h GLU 38 Cb 0.25 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1u7j h GLU 38 CO 0.00 0.49 0.36 0.87 -1.00 0.00 0.00 179.01 179.74 1u7j h LYS 39 N 0.06 0.69 0.00 2.33 6.56 -1.55 -2.55 116.57 122.12 1u7j h LYS 39 Ca 0.05 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1u7j h LYS 39 Cb 0.35 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1u7j h LYS 39 CO 0.01 0.46 0.00 0.72 -2.06 0.00 0.00 179.45 178.57 1u7j n HIS 40 N -4.46 0.00 -0.04 -1.35 8.25 -1.09 -1.11 115.22 115.42 1u7j n HIS 40 Ca 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1u7j n HIS 40 Cb 0.07 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.16 0.47 -0.06 1.59 2.08 -0.99 -3.93 119.36 117.36 1u7j n ILE 41 Ca 0.08 -0.20 -0.08 0.00 0.56 0.00 0.00 62.75 63.11 1u7j n ILE 41 Cb 0.08 -0.80 -0.02 0.00 -0.75 0.00 0.00 39.64 38.16 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 -0.00 0.38 4.39 -1.28 -1.82 114.58 116.41 1u7j h GLU 42 Ca -0.18 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.34 1u7j h GLU 42 Cb 1.31 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1u7j h GLU 42 CO -0.02 0.10 -0.78 -1.49 -1.16 0.00 0.00 179.01 175.67 1u7j h TRP 43 N 0.16 0.04 0.02 4.33 6.55 -1.39 -2.52 115.95 123.13 1u7j h TRP 43 Ca 0.11 -0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.95 1u7j h TRP 43 Cb 0.09 -0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.33 1u7j h TRP 43 CO -0.14 0.79 -0.51 1.25 -1.05 0.00 0.00 178.44 178.78 1u7j h LEU 44 N 0.01 -1.56 -0.74 -4.49 6.46 -1.63 -0.40 115.31 112.96 1u7j h LEU 44 Ca -0.01 0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1u7j h LEU 44 Cb 1.37 0.59 -0.04 0.00 -0.73 0.00 0.00 40.66 41.85 1u7j h LEU 44 CO 0.10 -0.52 0.48 -0.08 -0.62 0.00 0.00 178.44 177.80 1u7j h GLU 45 N -0.67 0.92 -0.66 1.25 4.81 -1.34 -0.26 114.58 118.64 1u7j h GLU 45 Ca 0.02 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1u7j h GLU 45 Cb 0.72 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1u7j h GLU 45 CO -0.34 0.61 0.43 1.15 -0.73 0.00 0.00 179.01 180.13 1u7j h THR 46 N 0.95 1.14 0.00 0.32 2.02 -1.24 -3.02 112.91 113.08 1u7j h THR 46 Ca 0.29 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1u7j h THR 46 Cb -0.03 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1u7j h THR 46 CO -0.09 0.16 -0.43 0.40 0.37 0.00 0.00 175.52 175.92 1u7j h ILE 47 N 0.86 0.32 0.00 3.11 5.03 -0.68 -3.22 117.51 122.94 1u7j h ILE 47 Ca 0.25 -1.48 0.00 0.00 -0.12 0.00 0.00 64.86 63.52 1u7j h ILE 47 Cb -0.06 2.06 0.00 0.00 -3.03 0.00 0.00 36.82 35.80 1u7j h ILE 47 CO -0.07 0.18 0.00 -3.20 -0.68 0.00 0.00 178.15 174.38 1u7j n ASN 48 N -3.06 0.23 0.00 1.72 5.15 -0.14 -5.08 115.26 114.08 1u7j n ASN 48 Ca 0.02 0.54 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 1u7j n ASN 48 Cb 0.63 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27