#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 -2.39 0.00 -1.55 4.11 -1.26 -5.03 117.16 111.04 1bnx n TYR 3 Ca 0.00 -1.75 0.00 0.00 -0.00 0.00 0.00 57.90 56.15 1bnx n TYR 3 Cb 0.00 1.52 0.00 0.00 -0.00 0.00 0.00 39.34 40.86 1bnx n TYR 3 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1bnx n PRO 4 N 0.62 0.00 0.00 -3.48 -0.04 -1.26 -3.56 135.00 127.28 1bnx n PRO 4 Ca 0.04 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.55 1bnx n PRO 4 Cb 0.70 -0.61 0.12 0.00 -0.04 0.00 0.00 33.50 33.66 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 0.64 0.00 0.54 3.20 -1.98 -1.93 116.97 117.43 1bnx h TYR 5 Ca 0.00 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.67 1bnx h TYR 5 Cb 0.00 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 1bnx h TYR 5 CO 0.00 0.85 -0.07 -0.92 -1.64 0.00 0.00 178.16 176.38 1bnx h TYR 6 N 0.44 0.00 0.00 -3.82 5.03 -1.96 -2.34 116.97 114.32 1bnx h TYR 6 Ca 0.04 0.00 -0.25 0.00 2.58 0.00 0.00 58.73 61.10 1bnx h TYR 6 Cb 0.89 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.13 1bnx h TYR 6 CO 0.03 0.07 -1.61 -0.11 -1.32 0.00 0.00 178.16 175.23 1bnx n LEU 7 N -4.35 0.85 0.24 2.82 7.94 -1.10 -3.89 117.00 119.51 1bnx n LEU 7 Ca -0.03 0.39 0.17 0.00 -1.11 0.00 0.00 56.01 55.43 1bnx n LEU 7 Cb 0.15 0.14 0.82 0.00 0.53 0.00 0.00 43.42 45.06 1bnx n LEU 7 CO 0.34 0.30 0.99 0.28 -1.11 0.00 0.00 177.39 178.19 1bnx h SER 8 N 0.00 0.00 -0.16 1.96 0.02 -0.79 -2.23 113.55 112.35 1bnx h SER 8 Ca -0.24 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.56 1bnx h SER 8 Cb 1.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.39 1bnx h SER 8 CO 0.07 0.00 -0.43 -0.78 -1.14 0.00 0.00 176.83 174.55 1bnx h ASP 9 N 0.00 0.76 0.17 3.07 1.82 -1.65 -1.54 116.42 119.05 1bnx h ASP 9 Ca 0.00 -0.36 -0.01 0.00 -0.39 0.00 0.00 57.03 56.28 1bnx h ASP 9 Cb 0.15 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.95 1bnx h ASP 9 CO 0.00 1.08 -0.08 0.40 -1.61 0.00 0.00 179.24 179.03 1bnx h ILE 10 N 0.57 0.81 -0.14 2.25 5.03 -1.63 -2.38 117.51 122.03 1bnx h ILE 10 Ca 0.04 -1.10 0.04 0.00 -0.12 0.00 0.00 64.86 63.72 1bnx h ILE 10 Cb 0.97 1.36 -0.01 0.00 -3.03 0.00 0.00 36.82 36.12 1bnx h ILE 10 CO 0.09 0.21 0.11 0.71 -0.68 0.00 0.00 178.15 178.59 1bnx h THR 11 N -0.86 0.76 -0.03 -0.27 1.35 -1.61 -0.24 112.91 112.00 1bnx h THR 11 Ca -0.02 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.64 1bnx h THR 11 Cb 0.52 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1bnx h THR 11 CO 0.04 0.00 -0.81 0.44 -0.25 0.00 0.00 175.52 174.94 1bnx h ASP 12 N 0.00 0.39 0.72 5.36 5.19 -1.26 -2.15 116.42 124.67 1bnx h ASP 12 Ca 0.06 -0.28 -0.08 0.00 -0.62 0.00 0.00 57.03 56.11 1bnx h ASP 12 Cb 0.29 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1bnx h ASP 12 CO -0.00 1.04 -0.39 0.58 -3.12 0.00 0.00 179.24 177.36 1bnx h VAL 13 N 0.20 0.98 0.12 -1.35 2.07 -0.51 -2.62 116.25 115.13 1bnx h VAL 13 Ca -0.04 -1.49 -0.29 0.00 0.82 0.00 0.00 66.70 65.69 1bnx h VAL 13 Cb 1.40 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1bnx h VAL 13 CO 0.13 0.38 -1.41 0.40 0.02 0.00 0.00 177.57 177.09 1bnx h ILE 14 N 0.00 1.30 -0.45 4.57 1.08 -1.29 -2.61 117.51 120.11 1bnx h ILE 14 Ca -0.00 -2.91 -0.07 0.00 -0.39 0.00 0.00 64.86 61.49 1bnx h ILE 14 Cb 0.85 2.84 -0.02 0.00 -3.07 0.00 0.00 36.82 37.42 1bnx h ILE 14 CO 0.05 0.84 0.01 0.15 -0.69 0.00 0.00 178.15 178.52 1bnx h PHE 15 N 0.07 0.85 0.00 1.37 3.57 -1.29 -2.83 116.94 118.69 1bnx h PHE 15 Ca -0.20 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.13 1bnx h PHE 15 Cb 2.00 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.51 1bnx h PHE 15 CO 0.06 0.83 -0.16 0.82 -2.23 0.00 0.00 178.31 177.63 1bnx h ILE 16 N 0.64 0.29 -0.10 1.41 1.08 -1.58 -2.31 117.51 116.92 1bnx h ILE 16 Ca 0.13 -1.33 -0.00 0.00 -0.39 0.00 0.00 64.86 63.26 1bnx h ILE 16 Cb 0.48 2.08 -0.00 0.00 -3.07 0.00 0.00 36.82 36.30 1bnx h ILE 16 CO 0.02 0.16 0.05 0.22 -0.69 0.00 0.00 178.15 177.91 1bnx h TYR 17 N 0.00 0.15 0.00 1.37 3.20 -1.21 -2.56 116.97 117.93 1bnx h TYR 17 Ca -0.00 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.66 1bnx h TYR 17 Cb 1.06 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 1bnx h TYR 17 CO 0.00 0.22 -1.25 0.74 -1.64 0.00 0.00 178.16 176.23 1bnx h PHE 18 N 0.04 0.00 0.22 -3.82 -1.00 -1.62 -3.37 116.94 107.39 1bnx h PHE 18 Ca 0.04 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1bnx h PHE 18 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1bnx h PHE 18 CO -0.03 0.76 -0.11 0.00 -1.61 0.00 0.00 178.31 177.33 1bnx h ALA 19 N 1.24 -0.29 -0.33 2.45 0.00 -1.38 0.91 119.26 121.86 1bnx h ALA 19 Ca -0.14 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1bnx h ALA 19 Cb 1.70 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.53 1bnx h ALA 19 CO 0.08 -0.64 -0.17 0.00 0.00 0.00 0.00 179.25 178.52 1bnx h ALA 20 N 0.43 0.08 -0.00 0.00 0.00 -1.62 -1.66 119.26 116.49 1bnx h ALA 20 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bnx h ALA 20 Cb 0.27 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1bnx h ALA 20 CO 0.05 -0.55 -0.11 1.28 0.00 0.00 0.00 179.25 179.92 1bnx n LEU 21 N -5.34 0.14 0.14 0.00 4.32 -1.19 -4.04 117.00 111.03 1bnx n LEU 21 Ca 0.01 0.34 -0.13 0.00 -0.02 0.00 0.00 56.01 56.20 1bnx n LEU 21 Cb 0.25 -0.40 -0.07 0.00 -1.62 0.00 0.00 43.42 41.58 1bnx n LEU 21 CO 0.15 0.03 0.74 0.28 -1.22 0.00 0.00 177.39 177.37 1bnx h SER 22 N 0.05 -0.49 0.29 -1.43 0.02 0.20 -2.36 113.55 109.83 1bnx h SER 22 Ca 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1bnx h SER 22 Cb 0.47 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1bnx h SER 22 CO 0.00 -0.28 -0.14 1.55 -1.14 0.00 0.00 176.83 176.82 1bnx h PRO 23 N -0.41 -0.38 -0.99 3.45 0.13 -1.72 -2.39 132.00 129.70 1bnx h PRO 23 Ca -0.00 0.03 0.29 0.00 -0.87 0.00 0.00 66.00 65.44 1bnx h PRO 23 Cb 0.38 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 1bnx h PRO 23 CO -0.04 -0.25 0.86 0.00 -0.23 0.00 0.00 178.00 178.34 1bnx h ALA 24 N -1.20 2.85 0.08 -0.56 0.00 -1.70 -0.88 119.26 117.85 1bnx h ALA 24 Ca -0.04 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 1bnx h ALA 24 Cb 0.30 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1bnx h ALA 24 CO 0.07 -1.37 -1.75 -0.89 0.00 0.00 0.00 179.25 175.31 1bnx n ILE 25 N -3.81 1.69 0.39 0.00 5.41 -0.89 -4.52 119.36 117.64 1bnx n ILE 25 Ca 0.21 -0.42 -0.15 0.00 1.00 0.00 0.00 62.75 63.38 1bnx n ILE 25 Cb 1.19 -1.85 -0.07 0.00 -0.71 0.00 0.00 39.64 38.20 1bnx n ILE 25 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1bnx h THR 26 N -0.34 0.00 -0.70 1.39 2.02 -0.64 -3.36 112.91 111.28 1bnx h THR 26 Ca -0.40 -0.11 -0.27 0.00 0.77 0.00 0.00 66.41 66.39 1bnx h THR 26 Cb 1.76 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1bnx h THR 26 CO -0.03 0.00 0.68 0.12 0.37 0.00 0.00 175.52 176.66 1bnx s PHE 27 N -4.99 1.75 0.03 3.16 5.36 -0.70 -4.93 117.98 117.66 1bnx s PHE 27 Ca -0.15 0.74 -0.30 0.00 -0.96 0.00 0.00 56.93 56.26 1bnx s PHE 27 Cb 0.01 -4.00 -0.04 0.00 -0.34 0.00 0.00 43.02 38.66 1bnx s PHE 27 CO 0.44 -1.74 1.06 0.20 -1.46 0.00 0.00 175.22 173.72 1bnx s GLY 28 N 8.25 2.74 0.00 13.12 0.00 -1.26 -4.85 107.32 125.32 1bnx s GLY 28 Ca 0.72 0.66 0.00 0.00 0.00 0.00 0.00 44.72 46.09 1bnx s GLY 28 CO 0.00 1.80 0.00 0.61 0.00 0.00 0.00 173.10 175.51 1bnx n GLY 29 N 2.97 -1.84 3.68 0.20 0.00 -1.26 -5.13 105.19 103.81 1bnx n GLY 29 Ca 0.07 0.81 -0.42 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 4.27 0.24 0.99 2.01 -1.26 -4.90 118.68 120.03 1bnx s LEU 30 Ca 0.00 1.94 0.06 0.00 0.01 0.00 0.00 54.13 56.15 1bnx s LEU 30 Cb 0.00 -3.55 0.24 0.00 0.01 0.00 0.00 46.19 42.89 1bnx s LEU 30 CO 0.00 -0.72 1.55 0.25 1.01 0.00 0.00 176.35 178.43 1bnx h LEU 31 N 8.91 0.17 -7.00 1.79 6.46 -2.00 -3.46 115.31 120.18 1bnx h LEU 31 Ca -0.34 -0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.40 1bnx h LEU 31 Cb 1.15 -0.05 -0.24 0.00 -0.73 0.00 0.00 40.66 40.79 1bnx h LEU 31 CO 0.92 0.77 0.56 -0.83 -0.62 0.00 0.00 178.44 179.24 1bnx s GLY 32 N -4.41 -0.21 -0.03 3.75 0.00 -1.26 -5.06 107.32 100.10 1bnx s GLY 32 Ca -0.03 2.25 -0.25 0.00 0.00 0.00 0.00 44.72 46.70 1bnx s GLY 32 CO 0.79 1.23 1.14 0.83 0.00 0.00 0.00 173.10 177.09 1bnx h GLU 33 N 2.89 0.13 -0.00 2.90 4.39 -2.04 -3.55 114.58 119.30 1bnx h GLU 33 Ca -0.20 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1bnx h GLU 33 Cb 1.17 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1bnx h GLU 33 CO 0.26 0.75 0.00 1.63 -1.16 0.00 0.00 179.01 180.49