#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 -3.22 0.00 -0.14 4.01 -1.26 -4.96 117.16 111.58 1bnx n TYR 3 Ca 0.00 1.58 0.00 0.00 -0.16 0.00 0.00 57.90 59.32 1bnx n TYR 3 Cb 0.00 -3.31 0.00 0.00 -0.31 0.00 0.00 39.34 35.72 1bnx n TYR 3 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1bnx n PRO 4 N 1.18 0.00 0.31 -0.72 -0.04 -1.26 -4.12 135.00 130.34 1bnx n PRO 4 Ca -0.10 0.12 0.21 0.00 -0.04 0.00 0.00 63.50 63.68 1bnx n PRO 4 Cb 0.24 -0.50 1.08 0.00 -0.04 0.00 0.00 33.50 34.28 1bnx n PRO 4 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1bnx h TYR 5 N 0.00 0.00 -0.02 0.54 5.03 -1.97 -2.57 116.97 117.99 1bnx h TYR 5 Ca 0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1bnx h TYR 5 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 1bnx h TYR 5 CO 0.00 0.00 0.01 -0.92 -1.32 0.00 0.00 178.16 175.93 1bnx h TYR 6 N 0.00 0.02 0.10 -3.82 5.03 -1.96 -2.12 116.97 114.22 1bnx h TYR 6 Ca 0.00 -0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.13 1bnx h TYR 6 Cb 0.06 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 38.34 1bnx h TYR 6 CO 0.00 0.12 -0.85 1.25 -1.32 0.00 0.00 178.16 177.36 1bnx h LEU 7 N -0.08 0.33 -1.16 2.82 6.46 -1.64 -3.31 115.31 118.73 1bnx h LEU 7 Ca 0.01 -0.91 0.00 0.00 -0.12 0.00 0.00 57.88 56.86 1bnx h LEU 7 Cb 0.11 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1bnx h LEU 7 CO -0.00 1.39 0.00 -1.54 -0.62 0.00 0.00 178.44 177.67 1bnx n SER 8 N -4.18 0.54 0.00 1.25 3.41 -1.00 -2.95 113.62 110.69 1bnx n SER 8 Ca -0.17 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1bnx n SER 8 Cb 0.77 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1bnx n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bnx n ASP 9 N -2.19 0.00 0.20 4.04 8.00 -0.80 -2.16 116.55 123.65 1bnx n ASP 9 Ca -0.01 0.57 0.07 0.00 0.71 0.00 0.00 54.79 56.13 1bnx n ASP 9 Cb 0.07 -0.10 0.58 0.00 -0.02 0.00 0.00 41.12 41.65 1bnx n ASP 9 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1bnx h ILE 10 N 0.00 1.04 -0.49 0.53 2.04 -1.78 -2.65 117.51 116.20 1bnx h ILE 10 Ca 0.00 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1bnx h ILE 10 Cb 0.00 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1bnx h ILE 10 CO 0.00 0.04 0.29 0.74 0.00 0.00 0.00 178.15 179.22 1bnx h THR 11 N 0.11 1.04 -0.33 -0.27 2.02 -1.58 -1.24 112.91 112.66 1bnx h THR 11 Ca 0.03 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 1bnx h THR 11 Cb 0.03 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1bnx h THR 11 CO -0.00 0.10 -0.19 0.44 0.37 0.00 0.00 175.52 176.24 1bnx h ASP 12 N 0.57 0.60 0.82 4.18 5.19 -1.07 -2.46 116.42 124.25 1bnx h ASP 12 Ca 0.20 -0.19 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1bnx h ASP 12 Cb 0.03 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1bnx h ASP 12 CO -0.09 0.80 -0.21 0.58 -3.12 0.00 0.00 179.24 177.19 1bnx h VAL 13 N 0.54 0.56 -0.03 -1.35 2.07 -1.31 -2.87 116.25 113.86 1bnx h VAL 13 Ca 0.09 -1.03 -0.20 0.00 0.82 0.00 0.00 66.70 66.38 1bnx h VAL 13 Cb 0.62 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1bnx h VAL 13 CO 0.04 0.21 -0.83 0.40 0.02 0.00 0.00 177.57 177.41 1bnx h ILE 14 N 0.00 1.41 0.21 4.57 2.04 -0.77 -2.34 117.51 122.64 1bnx h ILE 14 Ca -0.00 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.50 1bnx h ILE 14 Cb 0.68 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1bnx h ILE 14 CO 0.03 0.70 -0.10 0.15 0.00 0.00 0.00 178.15 178.92 1bnx h PHE 15 N 0.21 -0.26 0.00 1.37 3.04 -1.36 -2.83 116.94 117.11 1bnx h PHE 15 Ca -0.05 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.86 1bnx h PHE 15 Cb 1.43 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 40.02 1bnx h PHE 15 CO 0.04 0.02 -0.18 0.82 -2.02 0.00 0.00 178.31 177.00 1bnx h ILE 16 N -0.54 0.85 -0.63 1.41 1.08 -1.62 -2.35 117.51 115.71 1bnx h ILE 16 Ca -0.03 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1bnx h ILE 16 Cb 0.41 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.52 1bnx h ILE 16 CO 0.05 0.17 0.36 0.22 -0.69 0.00 0.00 178.15 178.27 1bnx h TYR 17 N 0.00 0.83 0.00 1.37 3.20 -1.17 -1.74 116.97 119.46 1bnx h TYR 17 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1bnx h TYR 17 Cb 0.38 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1bnx h TYR 17 CO 0.00 0.57 -0.52 0.74 -1.64 0.00 0.00 178.16 177.31 1bnx h PHE 18 N 0.87 0.00 -0.05 -3.82 -1.00 -1.29 -3.33 116.94 108.31 1bnx h PHE 18 Ca 0.23 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.00 1bnx h PHE 18 Cb -0.01 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.55 1bnx h PHE 18 CO 0.00 0.29 -0.00 0.00 -1.61 0.00 0.00 178.31 176.99 1bnx h ALA 19 N 1.71 0.07 -0.56 2.45 0.00 -1.05 0.27 119.26 122.15 1bnx h ALA 19 Ca -0.02 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1bnx h ALA 19 Cb 1.24 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1bnx h ALA 19 CO 0.03 -0.25 0.02 0.00 0.00 0.00 0.00 179.25 179.05 1bnx h ALA 20 N 0.71 0.56 0.00 0.00 0.00 -1.57 -1.20 119.26 117.75 1bnx h ALA 20 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bnx h ALA 20 Cb 0.34 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1bnx h ALA 20 CO 0.00 -0.38 -0.31 1.28 0.00 0.00 0.00 179.25 179.85 1bnx n LEU 21 N -5.23 0.49 -0.11 0.00 7.99 -1.20 -4.16 117.00 114.77 1bnx n LEU 21 Ca 0.07 0.30 -0.05 0.00 -0.01 0.00 0.00 56.01 56.32 1bnx n LEU 21 Cb 0.31 -0.31 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 1bnx n LEU 21 CO 0.14 -0.02 0.78 -1.28 -1.51 0.00 0.00 177.39 175.51 1bnx h SER 22 N 0.00 -0.39 0.16 -1.43 0.87 0.36 -1.64 113.55 111.48 1bnx h SER 22 Ca 0.00 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1bnx h SER 22 Cb 0.61 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1bnx h SER 22 CO 0.00 -0.14 -0.08 1.55 -0.53 0.00 0.00 176.83 177.63 1bnx h PRO 23 N -0.02 -0.21 -0.93 2.24 0.13 -1.73 -2.55 132.00 128.94 1bnx h PRO 23 Ca 0.18 0.01 0.27 0.00 -0.87 0.00 0.00 66.00 65.60 1bnx h PRO 23 Cb 0.30 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.44 1bnx h PRO 23 CO -0.40 -0.14 0.86 0.00 -0.23 0.00 0.00 178.00 178.09 1bnx h ALA 24 N -1.26 2.78 0.11 -0.56 0.00 -1.72 0.41 119.26 119.02 1bnx h ALA 24 Ca -0.02 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1bnx h ALA 24 Cb 0.17 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1bnx h ALA 24 CO 0.04 -1.34 -1.90 -0.89 0.00 0.00 0.00 179.25 175.16 1bnx n ILE 25 N -3.72 1.76 0.06 0.00 2.08 -0.62 -4.57 119.36 114.35 1bnx n ILE 25 Ca 0.20 -0.58 -0.03 0.00 0.56 0.00 0.00 62.75 62.90 1bnx n ILE 25 Cb 1.16 -1.78 -0.01 0.00 -0.75 0.00 0.00 39.64 38.26 1bnx n ILE 25 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1bnx h THR 26 N -0.07 0.00 -1.97 1.39 2.02 -0.54 -3.42 112.91 110.32 1bnx h THR 26 Ca -0.41 -0.16 -0.59 0.00 0.77 0.00 0.00 66.41 66.02 1bnx h THR 26 Cb 1.94 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1bnx h THR 26 CO 0.05 0.00 1.46 0.33 0.37 0.00 0.00 175.52 177.73 1bnx n PHE 27 N -2.93 2.01 0.00 3.16 7.35 -0.27 -4.78 117.46 122.00 1bnx n PHE 27 Ca -0.02 -0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 1bnx n PHE 27 Cb 0.07 -2.73 0.00 0.00 0.35 0.00 0.00 39.48 37.18 1bnx n PHE 27 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bnx n GLY 28 N 5.67 3.71 1.20 7.13 0.00 -1.26 -4.75 105.19 116.88 1bnx n GLY 28 Ca 0.29 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.48 -0.46 3.63 -0.02 0.00 -1.26 -5.06 105.19 100.53 1bnx n GLY 29 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.80 4.05 0.05 0.99 1.43 -1.26 -4.95 118.68 115.19 1bnx s LEU 30 Ca 0.00 0.90 -0.32 0.00 -1.03 0.00 0.00 54.13 53.68 1bnx s LEU 30 Cb 0.00 -3.26 -0.18 0.00 0.03 0.00 0.00 46.19 42.78 1bnx s LEU 30 CO 0.00 -0.66 1.43 -0.07 0.23 0.00 0.00 176.35 177.28 1bnx h LEU 31 N 9.55 -0.89-10.41 1.79 -0.00 -2.00 -3.43 115.31 109.92 1bnx h LEU 31 Ca -0.23 0.02 -0.50 0.00 -0.00 0.00 0.00 57.88 57.17 1bnx h LEU 31 Cb 1.08 0.23 0.08 0.00 -0.00 0.00 0.00 40.66 42.05 1bnx h LEU 31 CO 0.93 -0.57 0.40 -0.83 -0.00 0.00 0.00 178.44 178.36 1bnx s GLY 32 N -2.20 1.64 -0.01 0.83 0.00 -1.26 -5.00 107.32 101.33 1bnx s GLY 32 Ca -0.17 -0.18 -0.23 0.00 0.00 0.00 0.00 44.72 44.13 1bnx s GLY 32 CO 0.55 0.16 1.05 0.83 0.00 0.00 0.00 173.10 175.69 1bnx h GLU 33 N -0.63 -0.51 -0.01 2.90 5.08 -2.04 -3.52 114.58 115.84 1bnx h GLU 33 Ca -0.45 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1bnx h GLU 33 Cb 1.23 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1bnx h GLU 33 CO 0.62 -0.20 0.00 1.63 -1.00 0.00 0.00 179.01 180.06