#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 0.28 -0.17 0.00 0.87 -2.01 -3.40 113.55 109.11 1bku h SER 2 Ca 0.00 -0.79 -0.09 0.00 -1.23 0.00 0.00 61.79 59.68 1bku h SER 2 Cb 0.00 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1bku h SER 2 CO 0.00 1.72 -0.23 0.78 -0.53 0.00 0.00 176.83 178.56 1bku h ASN 3 N -0.33 0.49 -6.06 6.23 2.35 -2.00 -3.48 115.58 112.78 1bku h ASN 3 Ca -0.39 -0.52 -0.43 0.00 -0.55 0.00 0.00 56.30 54.42 1bku h ASN 3 Cb 1.76 -0.14 0.05 0.00 0.05 0.00 0.00 38.32 40.05 1bku h ASN 3 CO -0.02 0.91 -0.74 0.18 -1.65 0.00 0.00 177.43 176.12 1bku n LEU 4 N -4.44 -3.05 0.14 1.61 4.32 -1.26 -4.74 117.00 109.58 1bku n LEU 4 Ca -0.06 -0.69 0.00 0.00 -0.02 0.00 0.00 56.01 55.24 1bku n LEU 4 Cb 0.43 -2.79 0.00 0.00 -1.62 0.00 0.00 43.42 39.44 1bku n LEU 4 CO 0.42 0.52 0.00 -1.20 -1.22 0.00 0.00 177.39 175.91 1bku n SER 5 N -2.95 -2.42 -0.21 -1.43 7.64 -1.26 -4.68 113.62 108.30 1bku n SER 5 Ca -0.04 0.52 -0.07 0.00 1.01 0.00 0.00 58.87 60.29 1bku n SER 5 Cb 0.57 2.46 0.03 0.00 -1.01 0.00 0.00 64.21 66.25 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 1.22 -0.05 0.44 2.02 -1.99 -1.22 112.91 113.33 1bku h THR 6 Ca 0.00 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.58 1bku h THR 6 Cb 0.00 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1bku h THR 6 CO 0.00 0.25 -0.20 0.00 0.37 0.00 0.00 175.52 175.94 1bku h VAL 8 N -0.30 0.92 -0.77 0.00 2.07 -1.79 -0.75 116.25 115.64 1bku h VAL 8 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1bku h VAL 8 Cb 0.40 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 1bku h VAL 8 CO -0.22 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 177.76 1bku h LEU 9 N -0.04 0.71 -0.17 2.57 3.38 -1.18 -2.01 115.31 118.56 1bku h LEU 9 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1bku h LEU 9 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1bku h LEU 9 CO -0.04 0.46 0.10 1.23 0.09 0.00 0.00 178.44 180.28 1bku h GLY 10 N 0.85 0.23 0.93 0.83 0.00 -0.66 -1.56 103.07 103.69 1bku h GLY 10 Ca 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1bku h GLY 10 CO -0.17 0.08 -0.17 0.50 0.00 0.00 0.00 176.54 176.77 1bku h LYS 11 N 0.21 -0.47 -0.30 4.80 1.57 -0.81 -1.31 116.57 120.26 1bku h LYS 11 Ca 0.06 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 1bku h LYS 11 Cb -0.01 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1bku h LYS 11 CO -0.02 -0.27 -0.22 1.37 -0.57 0.00 0.00 179.45 179.74 1bku h LEU 12 N -0.56 0.57 -0.19 2.94 8.10 -1.40 -1.01 115.31 123.74 1bku h LEU 12 Ca -0.05 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.74 1bku h LEU 12 Cb 0.42 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 1bku h LEU 12 CO 0.08 0.78 0.07 -1.28 -4.11 0.00 0.00 178.44 173.99 1bku h SER 13 N 0.50 0.27 -0.60 0.17 0.87 -1.23 -1.21 113.55 112.32 1bku h SER 13 Ca 0.08 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1bku h SER 13 Cb 0.65 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1bku h SER 13 CO 0.05 0.37 0.39 -0.61 -0.53 0.00 0.00 176.83 176.50 1bku h GLN 14 N 0.15 0.78 0.20 2.24 4.15 -1.06 -1.19 115.11 120.38 1bku h GLN 14 Ca 0.06 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1bku h GLN 14 Cb 0.19 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1bku h GLN 14 CO -0.00 0.51 -0.10 1.49 -1.93 0.00 0.00 178.83 178.80 1bku h GLU 15 N 0.80 -0.26 -0.67 1.69 4.81 -1.05 -0.26 114.58 119.65 1bku h GLU 15 Ca 0.22 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1bku h GLU 15 Cb -0.08 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1bku h GLU 15 CO -0.06 -0.09 0.42 -0.07 -0.73 0.00 0.00 179.01 178.49 1bku h LEU 16 N -0.38 0.71 -0.46 1.64 3.38 -1.16 -2.15 115.31 116.89 1bku h LEU 16 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bku h LEU 16 Cb 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1bku h LEU 16 CO 0.05 0.50 0.20 -0.74 0.09 0.00 0.00 178.44 178.54 1bku h HIS 17 N 0.84 0.68 0.39 1.13 2.76 -1.13 -1.99 115.15 117.83 1bku h HIS 17 Ca 0.26 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1bku h HIS 17 Cb -0.02 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.73 1bku h HIS 17 CO -0.04 0.56 -0.21 -0.22 -1.30 0.00 0.00 177.93 176.72 1bku h LYS 18 N 0.60 -0.54 -0.05 5.26 3.64 -0.61 -0.53 116.57 124.35 1bku h LYS 18 Ca 0.16 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1bku h LYS 18 Cb 0.15 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1bku h LYS 18 CO -0.02 -0.36 -0.35 1.37 -2.27 0.00 0.00 179.45 177.82 1bku h LEU 19 N -0.56 0.09 0.53 5.20 8.10 -1.45 -1.92 115.31 125.30 1bku h LEU 19 Ca -0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 57.88 57.89 1bku h LEU 19 Cb 0.45 -0.02 0.01 0.00 -0.44 0.00 0.00 40.66 40.65 1bku h LEU 19 CO 0.07 0.44 -0.25 -0.61 -4.11 0.00 0.00 178.44 173.97 1bku h GLN 20 N 0.08 -0.68 -1.79 0.17 4.15 -1.13 -3.24 115.11 112.66 1bku h GLN 20 Ca 0.01 0.05 -0.39 0.00 0.77 0.00 0.00 58.65 59.08 1bku h GLN 20 Cb 0.67 0.16 -0.15 0.00 0.21 0.00 0.00 27.48 28.36 1bku h GLN 20 CO 0.05 -0.46 0.34 0.25 -1.93 0.00 0.00 178.83 177.09 1bku n THR 21 N -4.45 3.04 -0.09 2.39 -2.24 -0.22 -4.61 114.28 108.10 1bku n THR 21 Ca -0.09 -2.27 -0.12 0.00 -2.27 0.00 0.00 64.05 59.31 1bku n THR 21 Cb 0.28 -1.51 -0.04 0.00 -2.10 0.00 0.00 70.33 66.96 1bku n THR 21 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1bku h TYR 22 N 2.30 0.59 -1.07 4.78 3.20 -1.38 -3.43 116.97 121.97 1bku h TYR 22 Ca 0.33 -0.13 -0.32 0.00 3.14 0.00 0.00 58.73 61.75 1bku h TYR 22 Cb 0.86 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1bku h TYR 22 CO 1.18 0.74 1.15 -2.30 -1.64 0.00 0.00 178.16 177.29 1bku n PRO 23 N -4.51 0.80 0.02 1.82 -0.02 -1.26 -4.37 135.00 127.47 1bku n PRO 23 Ca -0.04 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1bku n PRO 23 Cb 0.32 -3.34 0.00 0.00 -0.02 0.00 0.00 33.50 30.45 1bku n PRO 23 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bku n ARG 24 N 8.81 0.00 -0.02 -0.52 1.74 -1.26 -4.89 116.66 120.52 1bku n ARG 24 Ca 0.43 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.43 1bku n ARG 24 Cb 0.47 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.84 1bku n ARG 24 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1bku h THR 25 N 0.00 0.84 -1.46 0.55 2.02 -1.98 -3.51 112.91 109.37 1bku h THR 25 Ca 0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 1bku h THR 25 Cb 0.00 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1bku h THR 25 CO 0.00 0.27 -0.38 -0.67 0.37 0.00 0.00 175.52 175.10 1bku n ASP 26 N -4.78 -3.31 -4.25 4.18 2.03 -1.26 -5.09 116.55 104.08 1bku n ASP 26 Ca -0.06 0.73 -0.14 0.00 0.52 0.00 0.00 54.79 55.85 1bku n ASP 26 Cb 0.24 -1.39 -0.10 0.00 -0.72 0.00 0.00 41.12 39.15 1bku n ASP 26 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1bku s VAL 27 N -4.54 0.55 0.06 5.18 -7.23 -1.26 -5.13 120.40 108.04 1bku s VAL 27 Ca 0.00 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 57.91 1bku s VAL 27 Cb 0.00 -2.24 0.10 0.00 0.56 0.00 0.00 36.38 34.79 1bku s VAL 27 CO 0.00 -0.35 1.15 -0.83 -0.31 0.00 0.00 175.10 174.77 1bku s GLY 28 N -3.19 -0.31 0.23 2.32 0.00 -1.26 -5.13 107.32 99.98 1bku s GLY 28 Ca 0.28 0.41 -0.20 0.00 0.00 0.00 0.00 44.72 45.21 1bku s GLY 28 CO 0.06 0.36 0.63 0.00 0.00 0.00 0.00 173.10 174.15 1bku s ALA 29 N -2.72 -1.16 0.08 3.20 0.00 -1.26 -5.09 121.76 114.81 1bku s ALA 29 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1bku s ALA 29 Cb 0.02 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1bku s ALA 29 CO -0.01 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1bku n GLY 30 N -0.41 -1.80 2.46 0.00 0.00 -1.26 -5.05 105.19 99.13 1bku n GLY 30 Ca -0.08 0.59 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 1bku n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bku s THR 31 N -1.51 0.33 -1.61 2.61 2.01 -1.26 -5.42 115.64 110.79 1bku s THR 31 Ca 0.00 -2.16 0.00 0.00 0.31 0.00 0.00 61.69 59.84 1bku s THR 31 Cb 0.00 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1bku s THR 31 CO 0.00 -1.08 0.40 -2.65 -0.69 0.00 0.00 174.62 170.60