#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 -4.52 0.00 7.64 -1.26 -4.79 113.62 110.69 1bku n SER 2 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1bku n SER 2 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.14 3.97 0.00 6.43 -0.87 -1.26 -5.13 114.94 117.94 1bku s ASN 3 Ca 0.00 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.32 1bku s ASN 3 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 41.25 40.89 1bku s ASN 3 CO 0.00 -2.14 0.00 0.18 -2.57 0.00 0.00 177.10 172.57 1bku n LEU 4 N -3.20 0.00 0.00 0.60 4.77 -1.26 -4.49 117.00 113.41 1bku n LEU 4 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1bku n LEU 4 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1bku n LEU 4 CO 0.46 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.28 1bku n SER 5 N 0.00 0.00 -0.34 -1.43 2.88 -1.26 -1.83 113.62 111.64 1bku n SER 5 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1bku n SER 5 Cb 0.00 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.66 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 1.11 -0.32 2.46 2.02 -1.98 -1.12 112.91 115.08 1bku h THR 6 Ca 0.00 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1bku h THR 6 Cb 0.00 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 1bku h THR 6 CO 0.00 0.21 0.19 0.00 0.37 0.00 0.00 175.52 176.29 1bku h VAL 8 N 0.41 1.05 -0.65 0.00 2.07 -1.61 -0.77 116.25 116.74 1bku h VAL 8 Ca 0.11 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 66.97 1bku h VAL 8 Cb 0.00 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1bku h VAL 8 CO -0.02 0.17 0.36 -0.07 0.02 0.00 0.00 177.57 178.03 1bku h LEU 9 N -0.50 0.54 0.10 2.57 3.38 -1.25 -1.76 115.31 118.40 1bku h LEU 9 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1bku h LEU 9 Cb 0.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1bku h LEU 9 CO 0.03 0.36 -0.05 1.23 0.09 0.00 0.00 178.44 180.09 1bku h GLY 10 N 0.68 -0.15 0.74 0.83 0.00 -1.05 -2.21 103.07 101.91 1bku h GLY 10 Ca 0.29 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 1bku h GLY 10 CO -0.17 -0.05 -0.27 1.70 0.00 0.00 0.00 176.54 177.74 1bku h LYS 11 N -0.17 -0.58 -0.45 4.80 1.63 -0.78 -1.40 116.57 119.61 1bku h LYS 11 Ca -0.01 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.75 1bku h LYS 11 Cb 0.13 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1bku h LYS 11 CO 0.02 -0.39 -0.02 1.37 -3.45 0.00 0.00 179.45 176.98 1bku h LEU 12 N -0.60 0.73 -0.18 5.20 8.10 -1.39 -0.74 115.31 126.43 1bku h LEU 12 Ca -0.02 -0.18 -0.01 0.00 0.11 0.00 0.00 57.88 57.78 1bku h LEU 12 Cb 0.54 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 1bku h LEU 12 CO -0.03 0.82 0.08 -1.28 -4.11 0.00 0.00 178.44 173.91 1bku h SER 13 N 0.71 0.25 -0.37 0.17 0.87 -1.23 -1.26 113.55 112.69 1bku h SER 13 Ca 0.14 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1bku h SER 13 Cb 0.47 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1bku h SER 13 CO 0.02 0.33 0.21 1.56 -0.53 0.00 0.00 176.83 178.43 1bku h GLN 14 N 0.15 0.50 0.77 2.24 4.20 -1.11 -2.37 115.11 119.49 1bku h GLN 14 Ca 0.06 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1bku h GLN 14 Cb 0.16 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1bku h GLN 14 CO -0.01 0.39 -0.42 1.49 -0.67 0.00 0.00 178.83 179.62 1bku h GLU 15 N 0.47 -1.06 -0.43 1.46 4.81 -0.94 -1.04 114.58 117.85 1bku h GLU 15 Ca 0.13 0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1bku h GLU 15 Cb 0.03 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1bku h GLU 15 CO -0.02 -0.70 0.16 1.37 -0.73 0.00 0.00 179.01 179.08 1bku h LEU 16 N -1.10 0.56 0.23 1.64 8.10 -1.29 -2.45 115.31 121.01 1bku h LEU 16 Ca -0.10 -0.06 -0.01 0.00 0.11 0.00 0.00 57.88 57.81 1bku h LEU 16 Cb 0.86 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.94 1bku h LEU 16 CO 0.14 0.52 -0.11 -0.74 -4.11 0.00 0.00 178.44 174.14 1bku h HIS 17 N 0.61 -0.29 -0.18 0.17 2.76 -1.30 -2.26 115.15 114.67 1bku h HIS 17 Ca 0.15 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1bku h HIS 17 Cb 0.14 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 1bku h HIS 17 CO 0.01 -0.03 0.04 0.87 -1.30 0.00 0.00 177.93 177.51 1bku h LYS 18 N -0.53 0.11 -0.03 5.26 1.57 -0.92 -1.31 116.57 120.73 1bku h LYS 18 Ca -0.03 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1bku h LYS 18 Cb 0.39 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1bku h LYS 18 CO 0.05 0.07 -0.50 1.37 -0.57 0.00 0.00 179.45 179.88 1bku h LEU 19 N 0.11 0.07 0.30 2.94 8.10 -1.53 0.01 115.31 125.32 1bku h LEU 19 Ca 0.08 -0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.02 1bku h LEU 19 Cb 0.07 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.27 1bku h LEU 19 CO -0.10 0.56 -0.14 -0.61 -4.11 0.00 0.00 178.44 174.03 1bku h GLN 20 N 0.06 -0.39 -0.38 0.17 4.15 -1.00 -2.28 115.11 115.44 1bku h GLN 20 Ca -0.00 0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 1bku h GLN 20 Cb 0.90 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1bku h GLN 20 CO 0.07 -0.07 -0.38 1.79 -1.93 0.00 0.00 178.83 178.31 1bku h THR 21 N -0.76 1.27 -2.27 2.39 1.35 -1.28 -3.39 112.91 110.22 1bku h THR 21 Ca -0.04 -1.55 -0.58 0.00 -0.55 0.00 0.00 66.41 63.69 1bku h THR 21 Cb 0.50 1.38 -0.39 0.00 -1.73 0.00 0.00 68.15 67.92 1bku h THR 21 CO 0.07 0.52 -1.00 0.00 -0.25 0.00 0.00 175.52 174.86 1bku n TYR 22 N -4.06 -0.55 -2.09 4.73 9.36 -0.01 -5.10 117.16 119.44 1bku n TYR 22 Ca -0.02 -3.43 -0.42 0.00 3.32 0.00 0.00 57.90 57.35 1bku n TYR 22 Cb 0.54 0.03 -0.03 0.00 -0.63 0.00 0.00 39.34 39.26 1bku n TYR 22 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1bku s PRO 23 N -0.42 4.22 2.15 2.98 0.04 -0.86 -4.28 135.00 138.84 1bku s PRO 23 Ca 0.33 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1bku s PRO 23 Cb 0.08 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1bku s PRO 23 CO -0.17 -0.74 0.00 -2.13 0.04 0.00 0.00 177.00 174.00 1bku n ARG 24 N 6.37 0.00 -3.88 4.56 0.63 -1.26 -4.69 116.66 118.39 1bku n ARG 24 Ca 0.16 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.93 1bku n ARG 24 Cb 0.43 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.29 1bku n ARG 24 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1bku n THR 25 N 0.00 0.00 -0.02 5.15 -2.24 -1.26 -5.06 114.28 110.85 1bku n THR 25 Ca 0.00 -1.90 -0.09 0.00 -2.27 0.00 0.00 64.05 59.79 1bku n THR 25 Cb 0.00 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 1bku n THR 25 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1bku h ASP 26 N 1.82 -0.05 -3.39 3.42 3.58 -1.94 -3.41 116.42 116.45 1bku h ASP 26 Ca -0.23 0.03 -0.40 0.00 0.42 0.00 0.00 57.03 56.85 1bku h ASP 26 Cb 1.08 0.05 -0.36 0.00 1.72 0.00 0.00 39.33 41.83 1bku h ASP 26 CO 0.32 -0.00 -0.76 0.54 -2.88 0.00 0.00 179.24 176.46 1bku s VAL 27 N -6.19 0.38 -1.48 2.25 0.11 -1.26 -5.07 120.40 109.13 1bku s VAL 27 Ca -0.13 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.84 1bku s VAL 27 Cb 0.09 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1bku s VAL 27 CO 0.68 0.22 2.47 0.61 -3.33 0.00 0.00 175.10 175.75 1bku n GLY 28 N 4.51 4.51 5.06 6.54 0.00 -1.26 -4.87 105.19 119.67 1bku n GLY 28 Ca -0.18 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1bku n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bku n ALA 29 N 4.33 0.00 -2.00 4.61 0.00 -1.26 -4.61 120.51 121.57 1bku n ALA 29 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1bku n ALA 29 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 0.00 -0.77 0.20 0.00 0.00 -1.26 -5.00 105.19 98.36 1bku n GLY 30 Ca 0.00 0.61 -0.19 0.00 0.00 0.00 0.00 46.02 46.44 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 1.30 -0.00 2.61 1.35 -2.05 -3.54 112.91 112.57 1bku h THR 31 Ca 0.00 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1bku h THR 31 Cb 0.00 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1bku h THR 31 CO 0.00 0.66 0.00 -0.81 -0.25 0.00 0.00 175.52 175.12