#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 3.32 -0.04 -0.14 4.01 -1.26 -4.87 117.16 118.18 1bnx n TYR 3 Ca 0.00 -4.13 -0.12 0.00 -0.16 0.00 0.00 57.90 53.49 1bnx n TYR 3 Cb 0.00 -0.55 -0.10 0.00 -0.31 0.00 0.00 39.34 38.38 1bnx n TYR 3 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bnx h PRO 4 N 4.29 -0.03 -0.08 -0.72 0.13 -2.05 -3.28 132.00 130.25 1bnx h PRO 4 Ca 0.19 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.34 1bnx h PRO 4 Cb 0.69 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1bnx h PRO 4 CO 0.80 0.70 0.25 -0.92 -0.23 0.00 0.00 178.00 178.60 1bnx h TYR 5 N -0.90 0.00 0.01 1.56 5.03 -1.98 -1.17 116.97 119.52 1bnx h TYR 5 Ca -0.00 0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.11 1bnx h TYR 5 Cb 0.75 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 1bnx h TYR 5 CO 0.19 0.00 -0.89 -0.92 -1.32 0.00 0.00 178.16 175.22 1bnx h TYR 6 N 0.00 0.21 0.03 -3.82 3.20 -1.96 -3.02 116.97 111.60 1bnx h TYR 6 Ca 0.04 -0.12 -0.28 0.00 3.14 0.00 0.00 58.73 61.51 1bnx h TYR 6 Cb 0.53 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 1bnx h TYR 6 CO 0.00 0.95 -1.52 -0.11 -1.64 0.00 0.00 178.16 175.84 1bnx n LEU 7 N -3.60 2.07 -0.03 2.82 7.94 -0.49 -3.95 117.00 121.76 1bnx n LEU 7 Ca -0.03 0.36 -0.05 0.00 -1.11 0.00 0.00 56.01 55.18 1bnx n LEU 7 Cb 0.82 -1.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.73 1bnx n LEU 7 CO 0.47 0.44 0.15 0.28 -1.11 0.00 0.00 177.39 177.62 1bnx h SER 8 N -0.73 -0.04 0.17 1.96 0.02 -1.61 -3.11 113.55 110.21 1bnx h SER 8 Ca -0.39 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1bnx h SER 8 Cb 1.51 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.06 1bnx h SER 8 CO -0.15 0.60 -0.02 0.44 -1.14 0.00 0.00 176.83 176.56 1bnx h ASP 9 N -1.00 0.00 0.04 3.07 5.19 -1.73 -2.26 116.42 119.73 1bnx h ASP 9 Ca -0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.32 1bnx h ASP 9 Cb 0.34 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.86 1bnx h ASP 9 CO 0.01 0.02 -0.35 -0.29 -3.12 0.00 0.00 179.24 175.51 1bnx h ILE 10 N 0.00 1.60 -0.30 0.35 2.10 -1.67 -2.86 117.51 116.72 1bnx h ILE 10 Ca -0.00 -2.21 -0.02 0.00 1.08 0.00 0.00 64.86 63.71 1bnx h ILE 10 Cb 0.11 3.03 -0.02 0.00 -1.09 0.00 0.00 36.82 38.86 1bnx h ILE 10 CO 0.00 0.60 0.10 0.74 -1.08 0.00 0.00 178.15 178.52 1bnx h THR 11 N -0.57 1.13 -0.22 2.19 2.02 -1.41 -1.83 112.91 114.22 1bnx h THR 11 Ca -0.05 -0.44 -0.14 0.00 0.77 0.00 0.00 66.41 66.55 1bnx h THR 11 Cb 1.19 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1bnx h THR 11 CO 0.07 0.16 -0.44 0.44 0.37 0.00 0.00 175.52 176.12 1bnx h ASP 12 N 0.43 0.59 -0.26 4.18 3.32 -1.47 -1.49 116.42 121.72 1bnx h ASP 12 Ca 0.11 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 1bnx h ASP 12 Cb 0.13 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1bnx h ASP 12 CO -0.01 0.95 -0.14 0.58 -1.72 0.00 0.00 179.24 178.91 1bnx h VAL 13 N 0.45 1.25 0.00 -1.35 2.07 -1.11 -2.41 116.25 115.16 1bnx h VAL 13 Ca 0.03 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1bnx h VAL 13 Cb 0.94 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1bnx h VAL 13 CO 0.08 0.39 0.00 0.40 0.02 0.00 0.00 177.57 178.46 1bnx h ILE 14 N 0.62 0.00 -0.11 4.57 2.04 -1.20 -2.39 117.51 121.04 1bnx h ILE 14 Ca 0.10 -0.83 -0.14 0.00 1.00 0.00 0.00 64.86 64.99 1bnx h ILE 14 Cb 0.59 1.82 0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1bnx h ILE 14 CO 0.04 0.00 -0.48 0.15 0.00 0.00 0.00 178.15 177.86 1bnx h PHE 15 N 0.00 0.69 0.00 1.37 3.57 -0.76 -3.02 116.94 118.79 1bnx h PHE 15 Ca 0.00 -0.30 -0.07 0.00 3.53 0.00 0.00 57.97 61.14 1bnx h PHE 15 Cb 0.90 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1bnx h PHE 15 CO 0.00 1.07 -1.18 -0.89 -2.23 0.00 0.00 178.31 175.09 1bnx n ILE 16 N -4.25 0.84 -0.02 1.41 5.41 -1.14 -2.52 119.36 119.08 1bnx n ILE 16 Ca -0.08 -0.60 -0.12 0.00 1.00 0.00 0.00 62.75 62.94 1bnx n ILE 16 Cb 0.59 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 1bnx n ILE 16 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1bnx h TYR 17 N 0.00 0.87 0.00 1.39 5.03 -1.52 -2.47 116.97 120.28 1bnx h TYR 17 Ca -0.06 -0.33 -0.24 0.00 2.58 0.00 0.00 58.73 60.67 1bnx h TYR 17 Cb 1.23 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 39.31 1bnx h TYR 17 CO 0.00 1.11 -1.52 0.74 -1.32 0.00 0.00 178.16 177.16 1bnx h PHE 18 N 0.51 0.00 0.34 -3.82 -1.00 -1.67 -3.25 116.94 108.05 1bnx h PHE 18 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1bnx h PHE 18 Cb 1.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.74 1bnx h PHE 18 CO 0.06 0.87 -0.17 0.00 -1.61 0.00 0.00 178.31 177.47 1bnx h ALA 19 N 1.13 -0.46 0.07 2.45 0.00 -1.51 -0.15 119.26 120.78 1bnx h ALA 19 Ca -0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1bnx h ALA 19 Cb 1.86 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1bnx h ALA 19 CO 0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 179.25 178.70 1bnx h ALA 20 N -0.31 -0.09 0.00 0.00 0.00 -1.62 -2.81 119.26 114.44 1bnx h ALA 20 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bnx h ALA 20 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1bnx h ALA 20 CO 0.08 -0.53 0.00 -0.07 0.00 0.00 0.00 179.25 178.73 1bnx h LEU 21 N -0.14 0.00 0.49 0.00 3.38 -1.64 -3.26 115.31 114.14 1bnx h LEU 21 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1bnx h LEU 21 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1bnx h LEU 21 CO 0.02 0.00 -0.40 -1.28 0.09 0.00 0.00 178.44 176.86 1bnx h SER 22 N 0.00 -1.07 0.32 -0.43 0.87 -0.73 -2.50 113.55 110.00 1bnx h SER 22 Ca 0.00 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1bnx h SER 22 Cb 0.55 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1bnx h SER 22 CO 0.00 -0.58 -0.15 1.55 -0.53 0.00 0.00 176.83 177.12 1bnx h PRO 23 N -0.89 -0.41 -1.06 2.24 0.13 -1.69 -3.12 132.00 127.20 1bnx h PRO 23 Ca -0.05 0.03 0.31 0.00 -0.87 0.00 0.00 66.00 65.42 1bnx h PRO 23 Cb 0.76 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.94 1bnx h PRO 23 CO -0.01 -0.08 0.90 0.00 -0.23 0.00 0.00 178.00 178.58 1bnx h ALA 24 N -0.37 2.94 0.20 -0.56 0.00 -1.62 0.23 119.26 120.08 1bnx h ALA 24 Ca -0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 1bnx h ALA 24 Cb 0.52 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.42 1bnx h ALA 24 CO 0.07 -1.45 -1.30 0.82 0.00 0.00 0.00 179.25 177.39 1bnx h ILE 25 N 0.00 1.29 0.37 0.00 2.04 -1.41 -3.39 117.51 116.42 1bnx h ILE 25 Ca 0.51 -2.60 -0.02 0.00 1.00 0.00 0.00 64.86 63.75 1bnx h ILE 25 Cb 2.31 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 41.43 1bnx h ILE 25 CO -0.01 0.78 -0.18 0.74 0.00 0.00 0.00 178.15 179.48 1bnx h THR 26 N -0.06 0.00 -3.85 -0.27 2.02 -0.53 -3.44 112.91 106.77 1bnx h THR 26 Ca -0.24 -0.16 -0.55 0.00 0.77 0.00 0.00 66.41 66.23 1bnx h THR 26 Cb 1.97 0.00 0.13 0.00 -1.74 0.00 0.00 68.15 68.50 1bnx h THR 26 CO 0.21 0.00 0.61 0.49 0.37 0.00 0.00 175.52 177.20 1bnx n PHE 27 N -3.79 2.43 -4.93 3.16 3.72 -0.69 -4.70 117.46 112.66 1bnx n PHE 27 Ca -0.06 0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 1bnx n PHE 27 Cb 0.20 -2.41 0.00 0.00 -0.94 0.00 0.00 39.48 36.33 1bnx n PHE 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bnx n GLY 28 N 0.69 0.36 1.16 1.37 0.00 -1.26 -4.84 105.19 102.68 1bnx n GLY 28 Ca 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 0.66 0.01 -0.02 0.00 -1.26 -5.00 105.19 99.59 1bnx n GLY 29 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 1bnx n GLY 29 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bnx n LEU 30 N 0.00 0.36 0.11 0.99 0.00 -1.26 -4.70 117.00 112.51 1bnx n LEU 30 Ca 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 56.01 56.28 1bnx n LEU 30 Cb 0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 43.42 42.84 1bnx n LEU 30 CO 0.00 -0.49 0.24 0.25 0.00 0.00 0.00 177.39 177.38 1bnx h LEU 31 N -0.20 -0.26 -9.36 -1.96 6.46 -2.04 -3.43 115.31 104.52 1bnx h LEU 31 Ca 0.00 0.01 -0.57 0.00 -0.12 0.00 0.00 57.88 57.20 1bnx h LEU 31 Cb 0.11 0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.04 1bnx h LEU 31 CO 0.00 -0.05 -0.03 -0.83 -0.62 0.00 0.00 178.44 176.91 1bnx s GLY 32 N -2.20 2.51 0.00 3.75 0.00 -1.26 -4.96 107.32 105.16 1bnx s GLY 32 Ca -0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 44.72 44.56 1bnx s GLY 32 CO 0.14 0.95 0.86 -2.09 0.00 0.00 0.00 173.10 172.95 1bnx h GLU 33 N 6.67 0.35 0.00 2.90 4.81 -1.84 -3.36 114.58 124.10 1bnx h GLU 33 Ca -0.41 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.23 1bnx h GLU 33 Cb 1.19 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1bnx h GLU 33 CO 0.75 1.24 0.00 1.17 -0.73 0.00 0.00 179.01 181.44