#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 -0.04 -0.94 0.00 0.87 -2.06 -3.39 113.55 108.00 1bku h SER 2 Ca 0.00 -0.60 -0.67 0.00 -1.23 0.00 0.00 61.79 59.29 1bku h SER 2 Cb 0.00 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 61.89 1bku h SER 2 CO 0.00 0.62 2.08 0.20 -0.53 0.00 0.00 176.83 179.19 1bku s ASN 3 N -5.80 6.79 -1.29 6.23 -0.87 -1.26 -4.89 114.94 113.86 1bku s ASN 3 Ca -0.16 -2.31 -0.17 0.00 -1.57 0.00 0.00 52.86 48.66 1bku s ASN 3 Cb -0.00 -2.57 -0.00 0.00 -0.02 0.00 0.00 41.25 38.65 1bku s ASN 3 CO 0.62 -1.21 2.09 0.18 -2.57 0.00 0.00 177.10 176.21 1bku n LEU 4 N 8.40 5.89 0.11 0.60 4.77 -1.26 -2.48 117.00 133.02 1bku n LEU 4 Ca 0.46 -3.81 0.00 0.00 -0.03 0.00 0.00 56.01 52.63 1bku n LEU 4 Cb 0.47 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 1bku n LEU 4 CO 0.75 0.56 0.00 -1.54 -1.33 0.00 0.00 177.39 175.83 1bku n SER 5 N 7.02 -1.89 -0.09 -1.43 3.41 -1.26 -4.75 113.62 114.63 1bku n SER 5 Ca 0.51 0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 59.53 1bku n SER 5 Cb 0.41 1.97 -0.03 0.00 -0.26 0.00 0.00 64.21 66.29 1bku n SER 5 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1bku h THR 6 N 0.00 1.20 -0.51 6.66 1.35 -1.99 -1.36 112.91 118.26 1bku h THR 6 Ca 0.00 -0.66 -0.04 0.00 -0.55 0.00 0.00 66.41 65.17 1bku h THR 6 Cb 0.00 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 1bku h THR 6 CO 0.00 0.22 0.18 0.00 -0.25 0.00 0.00 175.52 175.67 1bku h VAL 8 N 0.70 0.72 -1.00 0.00 2.07 -1.76 -0.59 116.25 116.39 1bku h VAL 8 Ca 0.17 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.74 1bku h VAL 8 Cb 0.25 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1bku h VAL 8 CO -0.01 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.16 1bku h LEU 9 N -0.39 1.04 -0.14 2.57 3.38 -1.23 -1.52 115.31 119.03 1bku h LEU 9 Ca -0.04 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1bku h LEU 9 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1bku h LEU 9 CO 0.06 0.68 0.03 1.23 0.09 0.00 0.00 178.44 180.53 1bku h GLY 10 N 1.19 0.16 0.96 0.83 0.00 -0.81 -1.09 103.07 104.31 1bku h GLY 10 Ca 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1bku h GLY 10 CO -0.16 0.01 0.19 0.50 0.00 0.00 0.00 176.54 177.08 1bku h LYS 11 N 0.10 0.63 0.24 4.80 1.57 -0.72 -1.23 116.57 121.96 1bku h LYS 11 Ca 0.06 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1bku h LYS 11 Cb 0.05 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1bku h LYS 11 CO -0.08 0.57 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.19 1bku h LEU 12 N 0.55 -0.27 -0.84 2.94 3.38 -1.18 -1.17 115.31 118.72 1bku h LEU 12 Ca 0.15 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1bku h LEU 12 Cb 0.16 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1bku h LEU 12 CO -0.02 -0.09 0.55 0.77 0.09 0.00 0.00 178.44 179.75 1bku h SER 13 N -0.44 0.94 -0.19 -0.43 4.64 -1.17 -0.87 113.55 116.03 1bku h SER 13 Ca -0.03 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1bku h SER 13 Cb 0.33 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1bku h SER 13 CO 0.05 0.67 0.12 -0.61 -0.87 0.00 0.00 176.83 176.19 1bku h GLN 14 N 1.11 0.27 -0.17 4.77 4.15 -1.15 -1.32 115.11 122.76 1bku h GLN 14 Ca 0.32 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 1bku h GLN 14 Cb -0.08 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1bku h GLN 14 CO -0.09 0.23 0.09 1.49 -1.93 0.00 0.00 178.83 178.62 1bku h GLU 15 N 0.23 0.25 -0.83 1.69 4.81 -0.83 -0.56 114.58 119.34 1bku h GLU 15 Ca 0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1bku h GLU 15 Cb 0.03 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1bku h GLU 15 CO -0.01 0.28 0.50 -0.07 -0.73 0.00 0.00 179.01 178.97 1bku h LEU 16 N 0.16 1.00 -0.08 1.64 3.38 -1.12 -1.19 115.31 119.09 1bku h LEU 16 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1bku h LEU 16 Cb 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1bku h LEU 16 CO -0.01 0.77 0.01 -0.74 0.09 0.00 0.00 178.44 178.57 1bku h HIS 17 N 1.14 0.15 -0.39 1.13 2.76 -1.10 -0.36 115.15 118.48 1bku h HIS 17 Ca 0.30 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.48 1bku h HIS 17 Cb -0.04 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 1bku h HIS 17 CO -0.00 0.36 0.18 -0.22 -1.30 0.00 0.00 177.93 176.94 1bku h LYS 18 N -0.10 0.36 0.00 5.26 3.64 -0.86 -3.36 116.57 121.51 1bku h LYS 18 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bku h LYS 18 Cb 0.29 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1bku h LYS 18 CO 0.00 0.24 0.00 1.28 -2.27 0.00 0.00 179.45 178.70 1bku n LEU 19 N -4.95 0.30 0.00 5.20 4.77 -0.47 -1.77 117.00 120.08 1bku n LEU 19 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1bku n LEU 19 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1bku n LEU 19 CO 0.29 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 178.02 1bku n GLN 20 N -0.05 0.00 -0.45 3.23 7.27 -0.15 -4.13 117.38 123.10 1bku n GLN 20 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 1bku n GLN 20 Cb 0.00 0.00 0.21 0.00 2.41 0.00 0.00 30.24 32.86 1bku n GLN 20 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1bku n THR 21 N 0.00 1.37 -3.91 1.69 5.66 -1.26 -4.93 114.28 112.91 1bku n THR 21 Ca 0.00 -0.73 -0.36 0.00 -3.05 0.00 0.00 64.05 59.91 1bku n THR 21 Cb 0.00 -0.30 0.02 0.00 -1.55 0.00 0.00 70.33 68.49 1bku n THR 21 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bku n TYR 22 N 0.38 -1.72 -1.91 1.09 4.11 -1.26 -4.65 117.16 113.20 1bku n TYR 22 Ca 0.15 0.40 -0.29 0.00 -0.00 0.00 0.00 57.90 58.16 1bku n TYR 22 Cb 0.71 -2.89 0.08 0.00 -0.00 0.00 0.00 39.34 37.23 1bku n TYR 22 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1bku s PRO 23 N -6.29 2.23 0.25 -3.48 0.04 -1.26 -4.98 135.00 121.50 1bku s PRO 23 Ca 0.31 0.19 -0.02 0.00 0.04 0.00 0.00 61.00 61.53 1bku s PRO 23 Cb -0.16 -1.98 0.29 0.00 0.04 0.00 0.00 34.50 32.69 1bku s PRO 23 CO 0.93 -1.42 1.70 0.07 0.04 0.00 0.00 177.00 178.32 1bku h ARG 24 N -0.92 0.72 -4.79 4.56 0.11 -1.92 -3.47 114.38 108.67 1bku h ARG 24 Ca -0.46 -0.25 -0.38 0.00 0.10 0.00 0.00 59.98 59.00 1bku h ARG 24 Cb 1.31 -0.06 -0.14 0.00 1.11 0.00 0.00 29.97 32.19 1bku h ARG 24 CO 0.65 0.83 -0.55 -0.08 0.10 0.00 0.00 179.97 180.92 1bku s THR 25 N -4.73 0.09 -0.29 0.08 -1.32 -1.26 -5.03 115.64 103.18 1bku s THR 25 Ca -0.09 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.11 1bku s THR 25 Cb 0.14 -2.50 -0.05 0.00 -1.51 0.00 0.00 72.50 68.58 1bku s THR 25 CO 0.82 0.00 2.17 -1.81 -2.21 0.00 0.00 174.62 173.58 1bku s ASP 26 N -3.30 5.36 -0.91 8.08 1.01 -1.26 -1.65 116.67 123.99 1bku s ASP 26 Ca 0.39 1.61 -0.05 0.00 0.71 0.00 0.00 52.55 55.21 1bku s ASP 26 Cb 0.05 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 1bku s ASP 26 CO 0.19 -2.08 0.78 0.52 0.21 0.00 0.00 175.17 174.80 1bku n VAL 27 N 7.73 -8.59 -2.86 -1.27 0.31 -0.73 -4.94 118.33 107.98 1bku n VAL 27 Ca 0.29 -0.71 -0.43 0.00 -0.01 0.00 0.00 64.34 63.48 1bku n VAL 27 Cb 0.47 -6.05 -0.02 0.00 -0.91 0.00 0.00 33.84 27.33 1bku n VAL 27 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1bku s GLY 28 N -3.20 1.89 -1.34 2.92 0.00 -0.66 -4.95 107.32 101.97 1bku s GLY 28 Ca 0.23 -2.80 -0.16 0.00 0.00 0.00 0.00 44.72 41.99 1bku s GLY 28 CO 0.78 2.15 1.88 0.00 0.00 0.00 0.00 173.10 177.91 1bku n ALA 29 N 6.84 4.28 0.00 3.20 0.00 -1.26 -4.00 120.51 129.57 1bku n ALA 29 Ca 0.29 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.82 1bku n ALA 29 Cb 0.48 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.40 1bku n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bku n GLY 30 N 4.80 0.00 3.62 0.00 0.00 -1.26 -5.16 105.19 107.19 1bku n GLY 30 Ca 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 1bku n GLY 30 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bku s THR 31 N 0.00 0.00 -2.00 2.61 -1.32 -1.26 -5.06 115.64 108.61 1bku s THR 31 Ca 0.00 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.69 1bku s THR 31 Cb 0.00 -1.00 0.61 0.00 -1.51 0.00 0.00 72.50 70.60 1bku s THR 31 CO 0.00 0.00 1.65 -0.81 -2.21 0.00 0.00 174.62 173.25