#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 -0.31 6.12 2.03 -1.26 -4.95 116.55 118.18 1u7j n ASP 2 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1u7j n ASP 2 Cb 0.00 0.04 0.23 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.88 -0.38 -0.67 0.05 -2.03 -1.44 116.97 113.37 1u7j h TYR 3 Ca 0.00 0.03 0.11 0.00 0.05 0.00 0.00 58.73 58.92 1u7j h TYR 3 Cb 0.00 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 1u7j h TYR 3 CO 0.00 0.26 0.56 1.37 -1.05 0.00 0.00 178.16 179.30 1u7j h LEU 4 N 0.73 0.00 0.13 3.88 8.10 -1.95 -3.08 115.31 123.12 1u7j h LEU 4 Ca 0.47 0.00 -0.31 0.00 0.11 0.00 0.00 57.88 58.15 1u7j h LEU 4 Cb 0.60 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.82 1u7j h LEU 4 CO -0.33 0.00 -1.55 -0.09 -4.11 0.00 0.00 178.44 172.37 1u7j h ARG 5 N 0.00 0.27 -0.56 0.17 2.43 -1.63 0.15 114.38 115.21 1u7j h ARG 5 Ca 0.18 -0.46 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 1u7j h ARG 5 Cb 1.30 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.00 1u7j h ARG 5 CO -0.00 1.14 0.07 0.93 -1.51 0.00 0.00 179.97 180.60 1u7j h GLU 6 N 0.07 0.90 0.17 0.20 5.08 -1.71 -2.02 114.58 117.27 1u7j h GLU 6 Ca -0.25 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1u7j h GLU 6 Cb 2.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1u7j h GLU 6 CO 0.17 0.85 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.88 1u7j h LEU 7 N 0.85 -0.19 -0.47 1.33 3.38 -1.39 -1.19 115.31 117.62 1u7j h LEU 7 Ca 0.17 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1u7j h LEU 7 Cb 0.40 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 1u7j h LEU 7 CO 0.01 -0.06 -0.38 0.22 0.09 0.00 0.00 178.44 178.33 1u7j h TYR 8 N -0.31 -1.08 0.00 1.13 5.03 -0.76 0.16 116.97 121.14 1u7j h TYR 8 Ca -0.02 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1u7j h TYR 8 Cb 0.24 0.54 0.00 0.00 1.55 0.00 0.00 36.73 39.06 1u7j h TYR 8 CO -0.04 -0.41 0.00 1.63 -1.32 0.00 0.00 178.16 178.02 1u7j n LYS 9 N -5.42 0.34 -0.08 1.82 4.01 -0.76 -1.69 118.16 116.38 1u7j n LYS 9 Ca 0.01 0.04 -0.11 0.00 -0.51 0.00 0.00 58.31 57.75 1u7j n LYS 9 Cb 0.35 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.30 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 -1.07 2.88 -0.03 -0.35 4.77 -0.48 -4.34 117.00 118.38 1u7j n LEU 10 Ca 0.08 -0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 1u7j n LEU 10 Cb 0.06 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 1u7j n LEU 10 CO 0.08 0.73 0.34 -0.33 -1.33 0.00 0.00 177.39 176.88 1u7j h GLU 11 N -0.04 0.61 -0.32 3.23 4.39 -0.38 -0.31 114.58 121.76 1u7j h GLU 11 Ca -0.35 -0.49 -0.11 0.00 0.34 0.00 0.00 59.36 58.75 1u7j h GLU 11 Cb 1.52 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1u7j h GLU 11 CO -0.07 1.11 -0.26 1.96 -1.16 0.00 0.00 179.01 180.59 1u7j h GLN 12 N 0.25 0.65 -0.52 2.33 1.08 -1.56 -0.46 115.11 116.88 1u7j h GLN 12 Ca -0.04 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 1u7j h GLN 12 Cb 1.21 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.59 1u7j h GLN 12 CO 0.12 0.85 0.29 1.96 -0.95 0.00 0.00 178.83 181.09 1u7j h GLN 13 N 0.56 0.72 -0.55 1.46 4.20 -1.72 -1.74 115.11 118.05 1u7j h GLN 13 Ca 0.08 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1u7j h GLN 13 Cb 0.74 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1u7j h GLN 13 CO 0.06 0.56 0.15 0.00 -0.67 0.00 0.00 178.83 178.93 1u7j h ALA 14 N 1.12 0.72 -0.55 3.87 0.00 -0.97 -3.23 119.26 120.22 1u7j h ALA 14 Ca 0.18 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1u7j h ALA 14 Cb 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1u7j h ALA 14 CO -0.03 0.40 0.30 1.98 0.00 0.00 0.00 179.25 181.89 1u7j h MET 15 N 0.76 0.56 -0.80 0.00 1.85 -0.74 -0.19 114.93 116.37 1u7j h MET 15 Ca 0.17 -0.03 0.15 0.00 -0.61 0.00 0.00 59.70 59.38 1u7j h MET 15 Cb 0.31 -0.13 -0.10 0.00 0.43 0.00 0.00 31.60 32.11 1u7j h MET 15 CO -0.00 0.37 0.36 0.87 -0.40 0.00 0.00 176.91 178.11 1u7j h LYS 16 N 0.57 0.50 0.06 0.39 1.57 -1.35 -1.40 116.57 116.92 1u7j h LYS 16 Ca 0.24 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.71 1u7j h LYS 16 Cb 0.12 -0.11 0.03 0.00 0.08 0.00 0.00 32.23 32.35 1u7j h LYS 16 CO -0.15 0.33 -1.13 -0.07 -0.57 0.00 0.00 179.45 177.86 1u7j h LEU 17 N 0.51 0.88 -0.59 2.94 3.38 -1.40 -2.77 115.31 118.27 1u7j h LEU 17 Ca 0.45 -0.78 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1u7j h LEU 17 Cb 0.67 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1u7j h LEU 17 CO -0.40 1.57 0.31 1.88 0.09 0.00 0.00 178.44 181.89 1u7j h TYR 18 N 0.31 0.81 -0.06 1.13 0.05 -0.79 -1.83 116.97 116.60 1u7j h TYR 18 Ca -0.16 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.52 1u7j h TYR 18 Cb 1.80 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 39.27 1u7j h TYR 18 CO 0.11 0.60 -0.34 0.07 -1.05 0.00 0.00 178.16 177.55 1u7j h ARG 19 N 0.79 0.11 -0.06 4.88 0.11 -1.31 -1.51 114.38 117.40 1u7j h ARG 19 Ca 0.21 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 60.21 1u7j h ARG 19 Cb 0.06 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 1u7j h ARG 19 CO -0.03 0.44 -0.07 1.49 0.10 0.00 0.00 179.97 181.90 1u7j h GLU 20 N 0.10 0.16 0.00 0.08 4.57 -1.17 -1.27 114.58 117.05 1u7j h GLU 20 Ca 0.01 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1u7j h GLU 20 Cb 0.65 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1u7j h GLU 20 CO 0.05 0.62 -0.25 0.00 -1.18 0.00 0.00 179.01 178.25 1u7j h ALA 21 N 0.54 1.21 -0.39 2.92 0.00 -1.37 -0.68 119.26 121.49 1u7j h ALA 21 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1u7j h ALA 21 Cb 0.59 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1u7j h ALA 21 CO 0.02 0.31 0.13 1.03 0.00 0.00 0.00 179.25 180.74 1u7j h SER 22 N 0.00 0.56 -0.63 0.00 0.87 -1.13 -1.09 113.55 112.13 1u7j h SER 22 Ca -0.00 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 1u7j h SER 22 Cb 0.59 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1u7j h SER 22 CO 0.03 0.60 0.21 -0.08 -0.53 0.00 0.00 176.83 177.06 1u7j h GLU 23 N 0.48 1.00 -0.57 2.24 4.81 -0.83 -1.74 114.58 119.98 1u7j h GLU 23 Ca 0.13 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1u7j h GLU 23 Cb 0.24 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1u7j h GLU 23 CO -0.01 0.86 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.98 1u7j h ARG 24 N 0.97 1.05 0.00 1.92 9.65 -0.95 -3.44 114.38 123.57 1u7j h ARG 24 Ca 0.22 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1u7j h ARG 24 Cb 0.27 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1u7j h ARG 24 CO -0.01 1.06 0.00 0.28 2.80 0.00 0.00 179.97 184.10 1u7j n VAL 25 N -4.17 0.00 0.00 0.20 0.31 -0.43 -5.08 118.33 109.16 1u7j n VAL 25 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1u7j n VAL 25 Cb 0.38 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 1.39 2.43 1.61 2.92 0.00 -0.66 -4.98 105.19 107.90 1u7j n GLY 26 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 -3.63 -0.10 1.61 8.00 -1.26 -3.90 116.55 117.27 1u7j n ASP 27 Ca 0.00 1.06 -0.14 0.00 0.71 0.00 0.00 54.79 56.42 1u7j n ASP 27 Cb 0.00 -2.93 -0.03 0.00 -0.02 0.00 0.00 41.12 38.14 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 2.28 0.89 0.00 -0.24 0.13 -2.00 -1.35 132.00 131.72 1u7j h PRO 28 Ca 0.00 -0.51 -0.10 0.00 -0.87 0.00 0.00 66.00 64.52 1u7j h PRO 28 Cb 0.00 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1u7j h PRO 28 CO 0.00 1.16 -0.47 -0.24 -0.23 0.00 0.00 178.00 178.22 1u7j h VAL 29 N 0.69 0.86 -0.38 1.56 3.04 -2.00 -3.21 116.25 116.81 1u7j h VAL 29 Ca 0.04 -2.03 -0.05 0.00 -1.01 0.00 0.00 66.70 63.65 1u7j h VAL 29 Cb 1.04 2.29 -0.01 0.00 -2.01 0.00 0.00 31.29 32.60 1u7j h VAL 29 CO 0.10 0.46 0.03 0.25 -1.01 0.00 0.00 177.57 177.40 1u7j h LEU 30 N 0.00 0.64 -1.84 3.16 6.46 -1.73 -0.68 115.31 121.32 1u7j h LEU 30 Ca -0.00 -0.28 0.08 0.00 -0.12 0.00 0.00 57.88 57.55 1u7j h LEU 30 Cb 1.25 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1u7j h LEU 30 CO 0.06 0.76 0.28 0.00 -0.62 0.00 0.00 178.44 178.92 1u7j h ALA 31 N 0.90 2.13 0.04 1.25 0.00 -1.29 -1.80 119.26 120.49 1u7j h ALA 31 Ca 0.11 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 1u7j h ALA 31 Cb 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1u7j h ALA 31 CO 0.01 -0.23 -1.06 -0.22 0.00 0.00 0.00 179.25 177.75 1u7j h LYS 32 N 0.19 0.09 -0.57 0.00 3.64 -1.47 -3.31 116.57 115.14 1u7j h LYS 32 Ca 0.19 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1u7j h LYS 32 Cb 0.50 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1u7j h LYS 32 CO -0.03 1.06 0.18 0.82 -2.27 0.00 0.00 179.45 179.21 1u7j h ILE 33 N 0.02 1.22 -0.85 2.00 2.04 -0.27 -2.37 117.51 119.31 1u7j h ILE 33 Ca -0.05 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.16 1u7j h ILE 33 Cb 1.82 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.42 1u7j h ILE 33 CO 0.15 0.29 0.49 -0.07 0.00 0.00 0.00 178.15 179.01 1u7j h LEU 34 N 0.83 0.69 -0.62 1.44 3.38 -1.56 -0.75 115.31 118.73 1u7j h LEU 34 Ca 0.19 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1u7j h LEU 34 Cb 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1u7j h LEU 34 CO -0.01 0.38 0.04 -0.33 0.09 0.00 0.00 178.44 178.62 1u7j h GLU 35 N 0.80 1.07 -0.16 1.13 4.39 -1.55 -1.83 114.58 118.43 1u7j h GLU 35 Ca 0.42 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1u7j h GLU 35 Cb 0.41 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1u7j h GLU 35 CO -0.26 1.02 -0.02 -0.44 -1.16 0.00 0.00 179.01 178.15 1u7j h ASP 36 N 0.98 0.30 0.66 1.42 3.32 -1.01 -3.07 116.42 119.02 1u7j h ASP 36 Ca 0.18 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1u7j h ASP 36 Cb 0.51 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1u7j h ASP 36 CO 0.02 0.58 0.00 -0.33 -1.72 0.00 0.00 179.24 177.79 1u7j h GLU 37 N 0.03 0.00 -0.01 3.56 4.39 -1.13 -3.06 114.58 118.36 1u7j h GLU 37 Ca 0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1u7j h GLU 37 Cb 0.44 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1u7j h GLU 37 CO 0.01 0.00 0.00 1.49 -1.16 0.00 0.00 179.01 179.36 1u7j h GLU 38 N 0.00 0.01 -0.87 2.33 4.81 -1.23 -2.92 114.58 116.72 1u7j h GLU 38 Ca 0.00 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1u7j h GLU 38 Cb 0.33 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1u7j h GLU 38 CO 0.00 0.13 0.57 0.87 -0.73 0.00 0.00 179.01 179.85 1u7j h LYS 39 N -0.11 0.96 0.00 1.92 6.56 -1.61 -2.46 116.57 121.83 1u7j h LYS 39 Ca 0.00 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1u7j h LYS 39 Cb 0.13 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1u7j h LYS 39 CO -0.00 0.64 -0.02 0.45 -2.06 0.00 0.00 179.45 178.46 1u7j h HIS 40 N 0.99 0.00 0.11 -1.35 3.86 -1.50 -0.60 115.15 116.65 1u7j h HIS 40 Ca 0.37 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.22 1u7j h HIS 40 Cb 0.19 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1u7j h HIS 40 CO -0.00 0.02 -2.00 -0.89 0.86 0.00 0.00 177.93 175.92 1u7j n ILE 41 N -3.21 1.76 -0.14 2.45 2.08 -0.94 -2.30 119.36 119.06 1u7j n ILE 41 Ca -0.02 -0.62 -0.07 0.00 0.56 0.00 0.00 62.75 62.60 1u7j n ILE 41 Cb 0.15 -1.73 0.01 0.00 -0.75 0.00 0.00 39.64 37.33 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 0.02 0.54 -0.37 0.38 4.39 -1.39 -1.90 114.58 116.24 1u7j h GLU 42 Ca -0.43 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 1u7j h GLU 42 Cb 1.99 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.50 1u7j h GLU 42 CO 0.06 0.36 0.09 -1.49 -1.16 0.00 0.00 179.01 176.87 1u7j h TRP 43 N 0.56 0.55 -0.01 4.33 6.55 -1.26 -3.15 115.95 123.52 1u7j h TRP 43 Ca 0.17 -0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.97 1u7j h TRP 43 Cb -0.03 -0.17 -0.00 0.00 -0.86 0.00 0.00 29.16 28.10 1u7j h TRP 43 CO -0.06 0.48 0.00 1.25 -1.05 0.00 0.00 178.44 179.06 1u7j h LEU 44 N 0.54 0.01 -1.00 -4.49 6.46 -0.92 -2.77 115.31 113.13 1u7j h LEU 44 Ca 0.13 -0.17 0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1u7j h LEU 44 Cb 0.20 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.07 1u7j h LEU 44 CO -0.00 0.17 0.65 -0.08 -0.62 0.00 0.00 178.44 178.56 1u7j h GLU 45 N -0.16 1.17 0.00 1.25 4.81 -1.57 -2.50 114.58 117.58 1u7j h GLU 45 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1u7j h GLU 45 Cb 0.17 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1u7j h GLU 45 CO -0.00 0.77 0.00 2.41 -0.73 0.00 0.00 179.01 181.46 1u7j n THR 46 N -4.49 0.33 0.65 0.32 -1.04 -1.05 -2.59 114.28 106.41 1u7j n THR 46 Ca 0.15 0.08 0.07 0.00 -2.04 0.00 0.00 64.05 62.31 1u7j n THR 46 Cb 0.15 -0.99 -0.01 0.00 -1.82 0.00 0.00 70.33 67.66 1u7j n THR 46 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1u7j n ILE 47 N -1.10 0.00 0.31 12.58 2.08 -0.94 -4.38 119.36 127.91 1u7j n ILE 47 Ca 0.04 -0.34 0.18 0.00 0.56 0.00 0.00 62.75 63.19 1u7j n ILE 47 Cb 0.03 1.17 0.99 0.00 -0.75 0.00 0.00 39.64 41.07 1u7j n ILE 47 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1u7j h ASN 48 N 1.56 0.00 0.00 4.38 2.35 -1.65 -3.40 115.58 118.82 1u7j h ASN 48 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u7j h ASN 48 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1u7j h ASN 48 CO 0.00 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.41