#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bku n SER 2 N 0.00 0.00 -4.66 0.00 7.64 -1.26 -4.51 113.62 110.83 1bku n SER 2 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1bku n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1bku n SER 2 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1bku s ASN 3 N -4.00 6.76 -1.49 6.43 -0.87 -1.26 -4.91 114.94 115.60 1bku s ASN 3 Ca 0.00 2.10 -0.11 0.00 -1.57 0.00 0.00 52.86 53.27 1bku s ASN 3 Cb 0.00 -2.54 0.02 0.00 -0.02 0.00 0.00 41.25 38.71 1bku s ASN 3 CO 0.00 -0.86 2.47 0.18 -2.57 0.00 0.00 177.10 176.32 1bku n LEU 4 N 6.70 7.63 0.10 0.60 4.77 -1.26 -2.80 117.00 132.74 1bku n LEU 4 Ca 0.16 -4.35 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 1bku n LEU 4 Cb 0.43 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1bku n LEU 4 CO 0.60 1.57 0.00 -0.24 -1.33 0.00 0.00 177.39 177.99 1bku n SER 5 N 4.56 -0.82 -0.07 -1.43 2.88 -1.26 -4.62 113.62 112.87 1bku n SER 5 Ca 0.61 0.36 -0.11 0.00 -1.33 0.00 0.00 58.87 58.40 1bku n SER 5 Cb 0.32 0.92 -0.05 0.00 -0.75 0.00 0.00 64.21 64.65 1bku n SER 5 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1bku h THR 6 N 0.00 1.24 0.01 2.46 2.02 -1.92 -2.68 112.91 114.03 1bku h THR 6 Ca 0.00 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1bku h THR 6 Cb 0.00 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1bku h THR 6 CO 0.00 0.25 -0.00 0.00 0.37 0.00 0.00 175.52 176.14 1bku h VAL 8 N -0.13 1.26 -0.46 0.00 3.04 -1.78 -0.09 116.25 118.09 1bku h VAL 8 Ca -0.00 -1.05 -0.02 0.00 -1.01 0.00 0.00 66.70 64.62 1bku h VAL 8 Cb 0.13 1.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.47 1bku h VAL 8 CO 0.00 0.36 0.21 -0.07 -1.01 0.00 0.00 177.57 177.07 1bku h LEU 9 N 0.62 0.61 -0.60 3.16 3.38 -1.51 -2.06 115.31 118.89 1bku h LEU 9 Ca 0.12 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1bku h LEU 9 Cb 0.51 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1bku h LEU 9 CO 0.02 0.58 0.34 1.23 0.09 0.00 0.00 178.44 180.71 1bku h GLY 10 N 0.60 0.87 0.90 0.83 0.00 -1.02 -1.50 103.07 103.75 1bku h GLY 10 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1bku h GLY 10 CO -0.02 0.18 -0.37 1.70 0.00 0.00 0.00 176.54 178.03 1bku h LYS 11 N 0.66 -1.00 -0.30 4.80 3.11 -0.78 -1.70 116.57 121.36 1bku h LYS 11 Ca 0.26 0.07 -0.07 0.00 -2.81 0.00 0.00 60.65 58.10 1bku h LYS 11 Cb 0.11 0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 1bku h LYS 11 CO -0.14 -0.65 -0.10 1.37 -2.81 0.00 0.00 179.45 177.12 1bku h LEU 12 N -1.16 0.48 0.04 5.20 8.10 -1.38 -0.35 115.31 126.24 1bku h LEU 12 Ca -0.11 -0.12 -0.00 0.00 0.11 0.00 0.00 57.88 57.77 1bku h LEU 12 Cb 0.81 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.91 1bku h LEU 12 CO 0.17 0.62 -0.02 -1.28 -4.11 0.00 0.00 178.44 173.82 1bku h SER 13 N 0.46 -0.05 -0.59 0.17 0.87 -1.27 -1.46 113.55 111.69 1bku h SER 13 Ca 0.09 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1bku h SER 13 Cb 0.46 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1bku h SER 13 CO 0.02 0.09 0.18 -0.61 -0.53 0.00 0.00 176.83 175.99 1bku h GLN 14 N -0.19 0.96 0.23 2.24 5.75 -1.05 -1.24 115.11 121.81 1bku h GLN 14 Ca -0.01 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 1bku h GLN 14 Cb 0.17 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.58 1bku h GLN 14 CO 0.01 0.83 -0.11 1.49 -2.65 0.00 0.00 178.83 178.40 1bku h GLU 15 N 0.92 -0.30 -0.36 1.69 4.81 -0.95 -0.41 114.58 120.00 1bku h GLU 15 Ca 0.20 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1bku h GLU 15 Cb 0.29 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1bku h GLU 15 CO -0.01 -0.08 0.22 -0.07 -0.73 0.00 0.00 179.01 178.35 1bku h LEU 16 N -0.47 0.38 -0.03 1.64 3.38 -1.21 -1.97 115.31 117.02 1bku h LEU 16 Ca -0.03 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1bku h LEU 16 Cb 0.35 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1bku h LEU 16 CO 0.05 0.27 -0.19 -0.74 0.09 0.00 0.00 178.44 177.93 1bku h HIS 17 N 0.46 -0.49 0.40 1.13 2.76 -1.18 -1.27 115.15 116.95 1bku h HIS 17 Ca 0.13 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1bku h HIS 17 Cb -0.03 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1bku h HIS 17 CO -0.06 -0.27 -0.31 -0.22 -1.30 0.00 0.00 177.93 175.77 1bku h LYS 18 N -0.29 -0.67 0.00 5.26 3.64 -0.86 -2.81 116.57 120.84 1bku h LYS 18 Ca 0.07 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1bku h LYS 18 Cb 0.38 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1bku h LYS 18 CO -0.20 -0.45 -0.37 1.37 -2.27 0.00 0.00 179.45 177.53 1bku h LEU 19 N -0.70 0.00 -1.14 5.20 8.10 -1.36 -2.72 115.31 122.69 1bku h LEU 19 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1bku h LEU 19 Cb 0.61 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.78 1bku h LEU 19 CO -0.01 0.37 0.53 -0.61 -4.11 0.00 0.00 178.44 174.61 1bku h GLN 20 N 0.00 1.11 -4.13 0.17 4.15 -1.00 -2.11 115.11 113.30 1bku h GLN 20 Ca -0.00 -0.08 -0.73 0.00 0.77 0.00 0.00 58.65 58.61 1bku h GLN 20 Cb 0.67 -0.24 -0.11 0.00 0.21 0.00 0.00 27.48 28.01 1bku h GLN 20 CO 0.05 0.75 2.37 -2.37 -1.93 0.00 0.00 178.83 177.70 1bku n THR 21 N -4.39 3.96 -1.62 2.39 5.66 -1.03 -4.12 114.28 115.13 1bku n THR 21 Ca 0.09 -3.90 -0.40 0.00 -3.05 0.00 0.00 64.05 56.79 1bku n THR 21 Cb 0.04 -2.46 0.02 0.00 -1.55 0.00 0.00 70.33 66.38 1bku n THR 21 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1bku n TYR 22 N 5.46 1.12 0.02 1.09 4.01 -0.80 -4.93 117.16 123.14 1bku n TYR 22 Ca 0.45 0.51 -0.09 0.00 -0.16 0.00 0.00 57.90 58.61 1bku n TYR 22 Cb 0.39 -2.21 0.06 0.00 -0.31 0.00 0.00 39.34 37.28 1bku n TYR 22 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bku h PRO 23 N 1.26 0.49 -5.07 -0.72 0.13 -1.89 -3.40 132.00 122.79 1bku h PRO 23 Ca -0.46 -0.32 -0.50 0.00 -0.87 0.00 0.00 66.00 63.85 1bku h PRO 23 Cb 1.34 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.38 1bku h PRO 23 CO 0.55 0.93 -0.56 1.03 -0.23 0.00 0.00 178.00 179.72 1bku s ARG 24 N -3.92 1.76 2.62 0.86 0.52 -1.26 -4.95 118.95 114.58 1bku s ARG 24 Ca -0.07 -2.03 0.00 0.00 -0.52 0.00 0.00 55.73 53.11 1bku s ARG 24 Cb 0.11 -0.63 0.00 0.00 0.52 0.00 0.00 34.95 34.95 1bku s ARG 24 CO 0.83 -0.36 0.00 0.25 0.02 0.00 0.00 175.30 176.04 1bku n THR 25 N -0.77 0.00 -2.32 0.02 -2.24 -1.26 -3.52 114.28 104.19 1bku n THR 25 Ca -0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 1bku n THR 25 Cb 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1bku n THR 25 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bku n ASP 26 N 6.84 4.72 0.28 3.42 8.00 -1.26 -4.82 116.55 133.73 1bku n ASP 26 Ca 0.00 -2.97 -0.16 0.00 0.71 0.00 0.00 54.79 52.37 1bku n ASP 26 Cb 0.00 -1.60 -0.08 0.00 -0.02 0.00 0.00 41.12 39.42 1bku n ASP 26 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bku h VAL 27 N 4.33 0.27 0.00 2.53 2.07 -1.77 -3.41 116.25 120.27 1bku h VAL 27 Ca 0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.96 1bku h VAL 27 Cb 0.72 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1bku h VAL 27 CO 1.60 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.80 1bku n GLY 28 N -1.48 1.07 3.43 2.17 0.00 -1.26 -2.37 105.19 106.74 1bku n GLY 28 Ca -0.11 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 -1.49 -0.37 4.61 0.00 -1.26 -4.96 121.76 116.30 1bku s ALA 29 Ca 0.00 1.87 -0.29 0.00 0.00 0.00 0.00 51.96 53.54 1bku s ALA 29 Cb 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1bku s ALA 29 CO 0.00 -0.67 1.34 0.20 0.00 0.00 0.00 175.76 176.63 1bku s GLY 30 N 2.35 1.24 -0.61 0.00 0.00 -1.26 -4.14 107.32 104.90 1bku s GLY 30 Ca -0.05 -0.07 -0.10 0.00 0.00 0.00 0.00 44.72 44.50 1bku s GLY 30 CO -0.16 2.66 0.65 2.41 0.00 0.00 0.00 173.10 178.67 1bku n THR 31 N 6.68 -8.96 1.75 0.90 -1.04 -1.26 -4.92 114.28 107.43 1bku n THR 31 Ca 0.15 0.22 0.14 0.00 -2.04 0.00 0.00 64.05 62.52 1bku n THR 31 Cb 0.47 -6.19 0.83 0.00 -1.82 0.00 0.00 70.33 63.63 1bku n THR 31 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62