#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnx n TYR 3 N 0.00 0.00 -0.02 -1.55 4.19 -1.26 -5.01 117.16 113.52 1bnx n TYR 3 Ca 0.00 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.20 1bnx n TYR 3 Cb 0.00 0.00 -0.00 0.00 0.49 0.00 0.00 39.34 39.83 1bnx n TYR 3 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1bnx h PRO 4 N 0.00 0.00 -0.69 2.98 0.13 -2.06 -3.38 132.00 128.98 1bnx h PRO 4 Ca 0.00 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.33 1bnx h PRO 4 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1bnx h PRO 4 CO 0.00 0.00 0.71 -0.92 -0.23 0.00 0.00 178.00 177.56 1bnx h TYR 5 N -0.24 0.00 0.88 1.56 5.03 -1.99 -1.84 116.97 120.38 1bnx h TYR 5 Ca 0.00 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1bnx h TYR 5 Cb 0.11 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.40 1bnx h TYR 5 CO -0.05 0.00 -0.42 -0.92 -1.32 0.00 0.00 178.16 175.45 1bnx h TYR 6 N 0.00 -1.10 -0.04 -3.82 3.20 -1.95 -2.17 116.97 111.08 1bnx h TYR 6 Ca 0.33 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.18 1bnx h TYR 6 Cb 1.75 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 40.38 1bnx h TYR 6 CO 0.00 -0.68 0.03 1.25 -1.64 0.00 0.00 178.16 177.12 1bnx h LEU 7 N -1.27 0.00 -0.96 2.82 6.46 -1.52 -1.15 115.31 119.70 1bnx h LEU 7 Ca -0.12 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.53 1bnx h LEU 7 Cb 0.91 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1bnx h LEU 7 CO 0.20 0.00 -0.47 -1.28 -0.62 0.00 0.00 178.44 176.27 1bnx h SER 8 N 0.00 0.12 -0.04 1.25 0.87 -1.33 -2.81 113.55 111.61 1bnx h SER 8 Ca 0.02 -0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.32 1bnx h SER 8 Cb 0.08 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1bnx h SER 8 CO -0.00 0.57 -0.78 -0.78 -0.53 0.00 0.00 176.83 175.31 1bnx h ASP 9 N 0.09 0.75 -0.55 6.23 3.58 -0.56 -2.84 116.42 123.12 1bnx h ASP 9 Ca 0.00 -0.72 -0.05 0.00 0.42 0.00 0.00 57.03 56.69 1bnx h ASP 9 Cb 0.87 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 1bnx h ASP 9 CO 0.07 1.36 0.18 0.40 -2.88 0.00 0.00 179.24 178.37 1bnx h ILE 10 N 0.21 1.23 0.00 2.25 5.03 -1.46 -1.73 117.51 123.04 1bnx h ILE 10 Ca -0.09 -0.79 -0.10 0.00 -0.12 0.00 0.00 64.86 63.77 1bnx h ILE 10 Cb 1.45 0.58 -0.01 0.00 -3.03 0.00 0.00 36.82 35.81 1bnx h ILE 10 CO 0.16 0.30 -0.46 0.74 -0.68 0.00 0.00 178.15 178.21 1bnx h THR 11 N 0.87 1.30 -0.00 -0.27 2.02 -1.53 -2.48 112.91 112.81 1bnx h THR 11 Ca 0.20 -1.60 -0.17 0.00 0.77 0.00 0.00 66.41 65.61 1bnx h THR 11 Cb 0.26 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1bnx h THR 11 CO -0.01 0.45 -0.79 0.44 0.37 0.00 0.00 175.52 175.99 1bnx h ASP 12 N 0.00 0.04 0.73 4.18 5.19 -1.12 -2.64 116.42 122.80 1bnx h ASP 12 Ca -0.00 -0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.21 1bnx h ASP 12 Cb 0.83 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 1bnx h ASP 12 CO 0.06 0.81 -0.78 0.58 -3.12 0.00 0.00 179.24 176.79 1bnx h VAL 13 N 0.02 1.54 -0.07 -1.35 2.07 -1.07 -2.88 116.25 114.51 1bnx h VAL 13 Ca -0.01 -2.62 -0.20 0.00 0.82 0.00 0.00 66.70 64.69 1bnx h VAL 13 Cb 1.39 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1bnx h VAL 13 CO 0.11 0.75 -0.80 0.40 0.02 0.00 0.00 177.57 178.05 1bnx h ILE 14 N 0.02 1.36 -0.57 4.57 2.04 -1.40 -1.37 117.51 122.16 1bnx h ILE 14 Ca -0.01 -2.19 -0.04 0.00 1.00 0.00 0.00 64.86 63.62 1bnx h ILE 14 Cb 1.38 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.60 1bnx h ILE 14 CO 0.10 0.66 0.19 0.15 0.00 0.00 0.00 178.15 179.25 1bnx h PHE 15 N 0.32 0.92 0.00 1.37 3.04 -1.43 -2.29 116.94 118.87 1bnx h PHE 15 Ca -0.05 -0.09 -0.06 0.00 3.98 0.00 0.00 57.97 61.75 1bnx h PHE 15 Cb 1.40 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 1bnx h PHE 15 CO 0.06 0.77 -0.26 0.82 -2.02 0.00 0.00 178.31 177.67 1bnx h ILE 16 N 0.81 0.53 -0.64 1.41 2.04 -1.49 -2.12 117.51 118.05 1bnx h ILE 16 Ca 0.19 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1bnx h ILE 16 Cb 0.27 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1bnx h ILE 16 CO -0.01 0.26 0.40 0.22 0.00 0.00 0.00 178.15 179.02 1bnx h TYR 17 N 0.00 0.83 0.00 1.37 5.03 -0.65 -2.58 116.97 120.97 1bnx h TYR 17 Ca -0.00 0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.09 1bnx h TYR 17 Cb 0.98 -0.27 -0.04 0.00 1.55 0.00 0.00 36.73 38.94 1bnx h TYR 17 CO 0.00 0.54 -1.48 0.74 -1.32 0.00 0.00 178.16 176.65 1bnx h PHE 18 N 0.87 0.00 0.16 -3.82 0.04 -1.53 -3.34 116.94 109.31 1bnx h PHE 18 Ca 0.23 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.01 1bnx h PHE 18 Cb -0.06 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1bnx h PHE 18 CO -0.02 0.79 -0.22 0.00 -0.60 0.00 0.00 178.31 178.26 1bnx h ALA 19 N 1.21 -0.40 -0.11 2.45 0.00 -1.20 0.35 119.26 121.55 1bnx h ALA 19 Ca -0.20 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1bnx h ALA 19 Cb 1.78 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 1bnx h ALA 19 CO 0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 179.25 178.51 1bnx h ALA 20 N 0.32 0.05 -0.00 0.00 0.00 -1.64 -2.17 119.26 115.83 1bnx h ALA 20 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bnx h ALA 20 Cb 0.43 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bnx h ALA 20 CO -0.09 -0.51 -0.00 1.28 0.00 0.00 0.00 179.25 179.93 1bnx n LEU 21 N -5.18 0.04 -0.24 0.00 4.32 -1.11 -4.23 117.00 110.59 1bnx n LEU 21 Ca -0.04 0.04 0.04 0.00 -0.02 0.00 0.00 56.01 56.03 1bnx n LEU 21 Cb 0.11 -0.06 0.15 0.00 -1.62 0.00 0.00 43.42 42.00 1bnx n LEU 21 CO 0.27 0.01 0.85 0.28 -1.22 0.00 0.00 177.39 177.57 1bnx h SER 22 N 0.06 -0.25 0.05 -1.43 0.02 0.38 -1.69 113.55 110.69 1bnx h SER 22 Ca 0.00 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1bnx h SER 22 Cb 0.07 0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1bnx h SER 22 CO 0.00 -0.13 -0.02 1.55 -1.14 0.00 0.00 176.83 177.08 1bnx h PRO 23 N 0.14 -0.06 -0.95 3.45 0.13 -1.79 -3.29 132.00 129.62 1bnx h PRO 23 Ca 0.39 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.80 1bnx h PRO 23 Cb 0.67 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 1bnx h PRO 23 CO -0.60 -0.04 0.83 0.00 -0.23 0.00 0.00 178.00 177.96 1bnx h ALA 24 N -1.11 2.81 -0.02 -0.56 0.00 -1.79 0.11 119.26 118.72 1bnx h ALA 24 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1bnx h ALA 24 Cb 0.05 0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bnx h ALA 24 CO 0.01 -1.31 -0.64 0.82 0.00 0.00 0.00 179.25 178.13 1bnx h ILE 25 N 0.00 1.40 -0.28 0.00 1.08 -1.43 -3.30 117.51 114.99 1bnx h ILE 25 Ca 0.45 -2.06 0.06 0.00 -0.39 0.00 0.00 64.86 62.92 1bnx h ILE 25 Cb 2.10 2.51 -0.06 0.00 -3.07 0.00 0.00 36.82 38.30 1bnx h ILE 25 CO -0.00 0.61 -0.12 0.74 -0.69 0.00 0.00 178.15 178.68 1bnx h THR 26 N -0.01 0.61 -3.60 -0.27 2.02 -0.84 -3.35 112.91 107.47 1bnx h THR 26 Ca -0.08 0.00 -0.64 0.00 0.77 0.00 0.00 66.41 66.47 1bnx h THR 26 Cb 1.33 0.61 -0.14 0.00 -1.74 0.00 0.00 68.15 68.21 1bnx h THR 26 CO 0.13 0.00 0.23 -0.36 0.37 0.00 0.00 175.52 175.89 1bnx s PHE 27 N -6.18 3.06 -0.60 3.16 0.40 -1.13 -4.94 117.98 111.74 1bnx s PHE 27 Ca -0.14 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.29 1bnx s PHE 27 Cb 0.12 -3.43 0.04 0.00 0.51 0.00 0.00 43.02 40.27 1bnx s PHE 27 CO 0.69 -0.86 2.77 0.41 0.70 0.00 0.00 175.22 178.93 1bnx n GLY 28 N 4.91 4.41 1.31 4.36 0.00 -1.26 -4.41 105.19 114.51 1bnx n GLY 28 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1bnx n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnx n GLY 29 N 1.21 -1.86 3.54 -0.02 0.00 -1.26 -5.04 105.19 101.75 1bnx n GLY 29 Ca 0.52 0.50 -0.41 0.00 0.00 0.00 0.00 46.02 46.62 1bnx n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bnx s LEU 30 N -3.99 3.63 0.26 0.99 1.02 -1.26 -4.82 118.68 114.51 1bnx s LEU 30 Ca 0.00 -1.30 -0.03 0.00 0.02 0.00 0.00 54.13 52.82 1bnx s LEU 30 Cb 0.00 -2.54 0.32 0.00 0.02 0.00 0.00 46.19 43.99 1bnx s LEU 30 CO 0.00 -1.52 1.79 0.25 0.02 0.00 0.00 176.35 176.89 1bnx h LEU 31 N 12.53 0.85 0.00 1.79 6.46 -1.89 -3.47 115.31 131.58 1bnx h LEU 31 Ca 0.08 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1bnx h LEU 31 Cb 1.02 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1bnx h LEU 31 CO 1.36 0.84 0.00 0.61 -0.62 0.00 0.00 178.44 180.62 1bnx n GLY 32 N -0.79 3.31 0.14 3.75 0.00 -1.26 -4.70 105.19 105.64 1bnx n GLY 32 Ca 0.04 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1bnx n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bnx h GLU 33 N 0.00 -0.24 0.00 1.61 3.07 -2.01 -3.55 114.58 113.46 1bnx h GLU 33 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1bnx h GLU 33 Cb 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1bnx h GLU 33 CO 0.00 0.15 0.00 1.17 -1.40 0.00 0.00 179.01 178.93