#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bku h SER 2 N 0.00 -0.25 -1.52 0.00 0.87 -2.06 -3.38 113.55 107.21 1bku h SER 2 Ca 0.00 -0.27 -0.54 0.00 -1.23 0.00 0.00 61.79 59.74 1bku h SER 2 Cb 0.00 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 61.94 1bku h SER 2 CO 0.00 0.20 1.27 0.21 -0.53 0.00 0.00 176.83 177.98 1bku s ASN 3 N -5.29 6.18 -1.43 6.23 3.84 -1.26 -4.90 114.94 118.30 1bku s ASN 3 Ca -0.14 -0.94 -0.10 0.00 0.21 0.00 0.00 52.86 51.89 1bku s ASN 3 Cb 0.02 -2.56 0.05 0.00 -0.55 0.00 0.00 41.25 38.20 1bku s ASN 3 CO 0.53 -1.79 2.40 0.18 -2.79 0.00 0.00 177.10 175.63 1bku n LEU 4 N 9.80 7.68 0.17 3.21 4.77 -1.26 -3.44 117.00 137.92 1bku n LEU 4 Ca 0.23 -4.51 0.00 0.00 -0.03 0.00 0.00 56.01 51.70 1bku n LEU 4 Cb 0.50 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1bku n LEU 4 CO 0.67 1.70 0.00 -1.20 -1.33 0.00 0.00 177.39 177.23 1bku n SER 5 N 3.74 -1.69 -0.09 -1.43 7.64 -1.26 -4.69 113.62 115.84 1bku n SER 5 Ca 0.60 0.61 -0.12 0.00 1.01 0.00 0.00 58.87 60.96 1bku n SER 5 Cb 0.30 1.71 -0.04 0.00 -1.01 0.00 0.00 64.21 65.17 1bku n SER 5 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1bku h THR 6 N 0.00 1.30 -0.47 0.44 2.02 -2.00 -1.06 112.91 113.14 1bku h THR 6 Ca 0.00 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 1bku h THR 6 Cb 0.00 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1bku h THR 6 CO 0.00 0.38 0.20 0.00 0.37 0.00 0.00 175.52 176.47 1bku h VAL 8 N 0.62 1.11 -0.42 0.00 2.07 -1.79 -0.51 116.25 117.32 1bku h VAL 8 Ca 0.16 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1bku h VAL 8 Cb 0.17 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1bku h VAL 8 CO -0.02 0.10 0.23 0.25 0.02 0.00 0.00 177.57 178.15 1bku h LEU 9 N 0.07 0.36 -0.70 2.57 5.85 -1.12 -1.71 115.31 120.63 1bku h LEU 9 Ca 0.04 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1bku h LEU 9 Cb 0.10 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1bku h LEU 9 CO -0.01 0.26 0.39 1.23 -0.34 0.00 0.00 178.44 179.98 1bku h GLY 10 N 0.47 1.03 0.81 3.75 0.00 -0.99 -1.68 103.07 106.46 1bku h GLY 10 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1bku h GLY 10 CO -0.10 0.44 -0.29 1.70 0.00 0.00 0.00 176.54 178.28 1bku h LYS 11 N 0.95 -0.78 -0.48 4.80 1.63 -0.75 -1.13 116.57 120.82 1bku h LYS 11 Ca 0.25 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 60.07 1bku h LYS 11 Cb 0.02 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1bku h LYS 11 CO -0.04 -0.47 0.17 1.37 -3.45 0.00 0.00 179.45 177.03 1bku h LEU 12 N -1.01 0.63 0.30 5.20 8.10 -1.35 -1.57 115.31 125.62 1bku h LEU 12 Ca -0.08 -0.08 -0.01 0.00 0.11 0.00 0.00 57.88 57.81 1bku h LEU 12 Cb 0.67 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.74 1bku h LEU 12 CO 0.14 0.58 -0.14 -1.28 -4.11 0.00 0.00 178.44 173.63 1bku h SER 13 N 0.68 -0.34 -0.51 0.17 0.87 -1.29 -1.33 113.55 111.80 1bku h SER 13 Ca 0.16 -0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.77 1bku h SER 13 Cb 0.17 0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 62.14 1bku h SER 13 CO -0.01 -0.17 0.08 -0.61 -0.53 0.00 0.00 176.83 175.59 1bku h GLN 14 N -0.50 0.20 0.54 2.24 4.15 -0.86 -1.75 115.11 119.13 1bku h GLN 14 Ca -0.04 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1bku h GLN 14 Cb 0.37 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.02 1bku h GLN 14 CO 0.07 0.13 -0.26 0.93 -1.93 0.00 0.00 178.83 177.77 1bku h GLU 15 N 0.21 -0.69 -0.28 1.69 5.08 -1.20 -0.92 114.58 118.46 1bku h GLU 15 Ca 0.26 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1bku h GLU 15 Cb 0.37 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1bku h GLU 15 CO -0.36 -0.41 -0.07 1.37 -1.00 0.00 0.00 179.01 178.54 1bku h LEU 16 N -0.85 0.43 -0.27 1.33 8.10 -1.10 -1.38 115.31 121.58 1bku h LEU 16 Ca -0.07 -0.09 -0.14 0.00 0.11 0.00 0.00 57.88 57.69 1bku h LEU 16 Cb 0.60 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1bku h LEU 16 CO 0.12 0.55 -0.36 0.45 -4.11 0.00 0.00 178.44 175.09 1bku h HIS 17 N 0.43 0.89 -0.22 0.17 3.86 -1.35 -3.24 115.15 115.68 1bku h HIS 17 Ca 0.09 -0.29 -0.02 0.00 -1.16 0.00 0.00 60.37 58.98 1bku h HIS 17 Cb 0.40 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1bku h HIS 17 CO 0.01 1.06 0.05 -0.22 0.86 0.00 0.00 177.93 179.69 1bku h LYS 18 N 0.46 0.36 0.00 2.45 3.64 -0.52 -0.37 116.57 122.59 1bku h LYS 18 Ca 0.03 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1bku h LYS 18 Cb 0.95 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1bku h LYS 18 CO 0.09 0.48 0.00 1.47 -2.27 0.00 0.00 179.45 179.21 1bku n LEU 19 N -4.74 0.00 -0.08 5.20 -0.00 -0.58 -0.73 117.00 116.08 1bku n LEU 19 Ca -0.04 0.43 -0.07 0.00 -0.00 0.00 0.00 56.01 56.34 1bku n LEU 19 Cb 0.18 -0.43 -0.02 0.00 -0.00 0.00 0.00 43.42 43.14 1bku n LEU 19 CO 0.36 -0.21 -0.50 1.67 -0.00 0.00 0.00 177.39 178.72 1bku n GLN 20 N -1.43 0.46 -0.01 1.47 0.00 -1.06 -4.79 117.38 112.02 1bku n GLN 20 Ca 0.05 0.33 -0.13 0.00 -0.00 0.00 0.00 57.00 57.25 1bku n GLN 20 Cb 0.16 -1.47 -0.10 0.00 0.00 0.00 0.00 30.24 28.83 1bku n GLN 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1bku h THR 21 N -0.92 1.36 -5.59 1.69 2.02 -1.05 -3.49 112.91 106.92 1bku h THR 21 Ca 0.00 -1.38 -0.09 0.00 0.77 0.00 0.00 66.41 65.71 1bku h THR 21 Cb 0.73 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1bku h THR 21 CO 0.00 0.34 -0.47 -1.22 0.37 0.00 0.00 175.52 174.54 1bku n TYR 22 N -4.82 -3.10 0.15 3.16 4.01 0.09 -4.96 117.16 111.69 1bku n TYR 22 Ca -0.09 1.23 -0.14 0.00 -0.16 0.00 0.00 57.90 58.75 1bku n TYR 22 Cb 0.30 -3.71 -0.07 0.00 -0.31 0.00 0.00 39.34 35.55 1bku n TYR 22 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1bku h PRO 23 N 1.29 -0.38 -5.86 -0.72 0.11 -1.86 -3.47 132.00 121.11 1bku h PRO 23 Ca -0.13 0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.64 1bku h PRO 23 Cb 1.09 0.09 0.11 0.00 0.11 0.00 0.00 31.00 32.40 1bku h PRO 23 CO 0.25 -0.25 -0.80 0.54 -0.21 0.00 0.00 178.00 177.53 1bku n ARG 24 N -5.29 -5.84 0.00 1.05 1.74 -1.26 -4.89 116.66 102.16 1bku n ARG 24 Ca -0.08 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 1bku n ARG 24 Cb 0.21 -5.55 0.00 0.00 -1.02 0.00 0.00 32.46 26.10 1bku n ARG 24 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1bku n THR 25 N -4.21 0.00 -2.70 0.55 -2.24 -1.26 -5.01 114.28 99.41 1bku n THR 25 Ca -0.29 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.43 1bku n THR 25 Cb 0.67 -0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.99 1bku n THR 25 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1bku n ASP 26 N -1.63 -0.71 -3.41 3.42 2.03 -1.26 -5.01 116.55 109.99 1bku n ASP 26 Ca 0.00 -2.42 -0.14 0.00 0.52 0.00 0.00 54.79 52.75 1bku n ASP 26 Cb 0.00 0.45 0.01 0.00 -0.72 0.00 0.00 41.12 40.86 1bku n ASP 26 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1bku n VAL 27 N -0.69 -7.32 -1.62 5.18 0.31 -1.26 -4.87 118.33 108.06 1bku n VAL 27 Ca -0.03 -0.39 -0.41 0.00 -0.01 0.00 0.00 64.34 63.50 1bku n VAL 27 Cb 0.84 -5.26 -0.01 0.00 -0.91 0.00 0.00 33.84 28.50 1bku n VAL 27 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bku n GLY 28 N -1.68 4.40 3.28 2.92 0.00 -1.26 -4.48 105.19 108.36 1bku n GLY 28 Ca -0.11 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 1bku n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bku s ALA 29 N 2.60 -1.12 0.00 4.61 0.00 -0.58 -4.76 121.76 122.50 1bku s ALA 29 Ca 0.55 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1bku s ALA 29 Cb 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1bku s ALA 29 CO -0.08 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1bku n GLY 30 N 4.74 3.57 0.27 0.00 0.00 -1.26 -3.58 105.19 108.93 1bku n GLY 30 Ca -0.17 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1bku n GLY 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bku h THR 31 N 0.00 0.00 0.00 2.61 1.35 -1.85 -3.47 112.91 111.55 1bku h THR 31 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1bku h THR 31 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1bku h THR 31 CO 0.00 0.00 0.00 -0.81 -0.25 0.00 0.00 175.52 174.46