#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 -0.02 -3.10 0.00 0.02 -2.01 -3.43 113.55 105.01 1bku h SER 2 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1bku h SER 2 Cb 0.00 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1bku h SER 2 CO 0.00 0.02 0.97 0.21 -1.14 0.00 0.00 176.83 176.88 1bku s ASN 3 N -2.97 6.70 -1.52 3.07 2.47 -1.26 -4.92 114.94 116.52 1bku s ASN 3 Ca -0.00 1.29 -0.09 0.00 0.42 0.00 0.00 52.86 54.48 1bku s ASN 3 Cb 0.00 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.25 1bku s ASN 3 CO 0.01 -1.04 2.70 0.18 -3.72 0.00 0.00 177.10 175.23 1bku n LEU 4 N 7.50 8.32 0.13 3.21 4.77 -1.26 -1.86 117.00 137.80 1bku n LEU 4 Ca 0.15 -4.50 0.00 0.00 -0.03 0.00 0.00 56.01 51.63 1bku n LEU 4 Cb 0.46 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1bku n LEU 4 CO 0.62 1.95 0.00 -0.24 -1.33 0.00 0.00 177.39 178.39 1bku n SER 5 N 3.36 -2.25 -0.11 -1.43 2.88 -1.26 -4.74 113.62 110.07 1bku n SER 5 Ca 0.70 0.49 -0.09 0.00 -1.33 0.00 0.00 58.87 58.65 1bku n SER 5 Cb 0.26 2.31 -0.01 0.00 -0.75 0.00 0.00 64.21 66.02 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 1.14 -0.48 2.46 2.02 -1.98 -1.14 112.91 114.93 1bku h THR 6 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1bku h THR 6 Cb 0.00 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1bku h THR 6 CO 0.00 0.14 0.31 0.00 0.37 0.00 0.00 175.52 176.34 1bku h VAL 8 N 0.65 0.75 -0.48 0.00 2.07 -1.75 -0.49 116.25 116.99 1bku h VAL 8 Ca 0.17 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1bku h VAL 8 Cb -0.07 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1bku h VAL 8 CO -0.04 0.05 0.25 -0.07 0.02 0.00 0.00 177.57 177.78 1bku h LEU 9 N -0.51 0.37 -0.26 2.57 3.38 -1.21 -2.07 115.31 117.58 1bku h LEU 9 Ca -0.04 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1bku h LEU 9 Cb 0.38 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1bku h LEU 9 CO 0.06 0.26 0.04 1.23 0.09 0.00 0.00 178.44 180.12 1bku h GLY 10 N 0.49 0.28 0.97 0.83 0.00 -1.06 -1.68 103.07 102.91 1bku h GLY 10 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1bku h GLY 10 CO -0.14 -0.02 -0.29 1.70 0.00 0.00 0.00 176.54 177.79 1bku h LYS 11 N 0.13 -0.77 -0.38 4.80 3.11 -0.76 -1.95 116.57 120.75 1bku h LYS 11 Ca 0.12 0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.92 1bku h LYS 11 Cb 0.13 0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.52 1bku h LYS 11 CO -0.17 -0.51 -0.13 1.37 -2.81 0.00 0.00 179.45 177.20 1bku h LEU 12 N -0.80 0.67 -0.36 5.20 8.10 -1.37 -0.42 115.31 126.33 1bku h LEU 12 Ca -0.08 -0.20 -0.02 0.00 0.11 0.00 0.00 57.88 57.70 1bku h LEU 12 Cb 0.62 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.65 1bku h LEU 12 CO 0.11 0.82 0.15 0.28 -4.11 0.00 0.00 178.44 175.69 1bku h SER 13 N 0.61 0.49 -0.34 0.17 0.02 -1.25 -1.70 113.55 111.55 1bku h SER 13 Ca 0.10 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1bku h SER 13 Cb 0.58 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1bku h SER 13 CO 0.04 0.52 0.05 1.56 -1.14 0.00 0.00 176.83 177.86 1bku h GLN 14 N 0.44 0.57 0.14 3.45 1.08 -1.19 -2.46 115.11 117.14 1bku h GLN 14 Ca 0.12 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1bku h GLN 14 Cb 0.18 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1bku h GLN 14 CO -0.01 0.66 -0.25 1.49 -0.95 0.00 0.00 178.83 179.77 1bku h GLU 15 N 0.40 -0.45 -0.39 1.46 4.81 -0.87 -0.46 114.58 119.08 1bku h GLU 15 Ca 0.10 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1bku h GLU 15 Cb 0.37 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1bku h GLU 15 CO 0.01 -0.30 -0.07 1.37 -0.73 0.00 0.00 179.01 179.28 1bku h LEU 16 N -0.47 0.64 -0.41 1.64 8.10 -1.39 -3.08 115.31 120.34 1bku h LEU 16 Ca 0.02 -0.17 -0.05 0.00 0.11 0.00 0.00 57.88 57.80 1bku h LEU 16 Cb 0.48 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.52 1bku h LEU 16 CO -0.13 0.76 0.06 -0.74 -4.11 0.00 0.00 178.44 174.29 1bku h HIS 17 N 0.62 0.73 0.12 0.17 2.76 -1.01 -0.45 115.15 118.09 1bku h HIS 17 Ca 0.11 -0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1bku h HIS 17 Cb 0.49 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 1bku h HIS 17 CO 0.02 0.72 -0.28 0.87 -1.30 0.00 0.00 177.93 177.96 1bku h LYS 18 N 0.54 -0.47 0.00 5.26 1.57 -1.01 -2.43 116.57 120.02 1bku h LYS 18 Ca 0.12 0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 1bku h LYS 18 Cb 0.38 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1bku h LYS 18 CO 0.01 -0.32 -0.60 1.37 -0.57 0.00 0.00 179.45 179.34 1bku h LEU 19 N -0.49 0.00 -0.47 2.94 8.10 -1.55 -3.11 115.31 120.73 1bku h LEU 19 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.01 1bku h LEU 19 Cb 0.52 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.72 1bku h LEU 19 CO -0.16 0.60 0.27 -0.61 -4.11 0.00 0.00 178.44 174.43 1bku h GLN 20 N 0.00 0.65 0.00 0.17 5.75 -0.91 -3.39 115.11 117.39 1bku h GLN 20 Ca -0.01 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1bku h GLN 20 Cb 1.26 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1bku h GLN 20 CO 0.08 0.49 0.00 0.25 -2.65 0.00 0.00 178.83 177.00 1bku n THR 21 N -4.70 0.00 0.00 2.39 -2.24 -0.93 -5.09 114.28 103.72 1bku n THR 21 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1bku n THR 21 Cb 0.07 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1bku n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bku n TYR 22 N 0.00 0.00 -0.10 4.78 4.11 -1.18 -5.03 117.16 119.74 1bku n TYR 22 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1bku n TYR 22 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 1bku n TYR 22 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 1bku h PRO 23 N 0.00 0.48 0.00 -3.48 0.11 -1.86 -3.47 132.00 123.78 1bku h PRO 23 Ca 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1bku h PRO 23 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1bku h PRO 23 CO 0.00 0.48 0.00 0.54 -0.21 0.00 0.00 178.00 178.81 1bku n ARG 24 N -4.72 0.00 -2.20 1.05 1.74 -1.25 -4.78 116.66 106.49 1bku n ARG 24 Ca -0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 1bku n ARG 24 Cb 0.13 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.55 1bku n ARG 24 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1bku s THR 25 N 0.00 3.84 -0.86 0.55 2.01 -1.26 -2.99 115.64 116.94 1bku s THR 25 Ca 0.00 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.06 1bku s THR 25 Cb 0.00 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1bku s THR 25 CO 0.00 -0.07 0.77 0.47 -0.69 0.00 0.00 174.62 175.10 1bku n ASP 26 N 6.44 -7.23 -4.67 3.53 8.00 -1.26 -4.90 116.55 116.46 1bku n ASP 26 Ca 0.15 -0.34 -0.45 0.00 0.71 0.00 0.00 54.79 54.86 1bku n ASP 26 Cb 0.44 -5.05 -0.03 0.00 -0.02 0.00 0.00 41.12 36.46 1bku n ASP 26 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1bku n VAL 27 N -2.36 0.97 -0.51 2.53 3.14 -1.16 -4.74 118.33 116.20 1bku n VAL 27 Ca -0.04 -0.24 0.06 0.00 -2.96 0.00 0.00 64.34 61.16 1bku n VAL 27 Cb 0.55 -1.49 -0.03 0.00 -1.06 0.00 0.00 33.84 31.81 1bku n VAL 27 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bku n GLY 28 N 2.13 -2.54 0.33 7.55 0.00 -1.26 -4.07 105.19 107.33 1bku n GLY 28 Ca 0.11 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1bku n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bku h ALA 29 N -0.50 -0.78 -0.93 4.61 0.00 -2.01 -3.34 119.26 116.31 1bku h ALA 29 Ca -0.05 -0.17 -0.70 0.00 0.00 0.00 0.00 54.91 53.99 1bku h ALA 29 Cb 0.49 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1bku h ALA 29 CO 0.02 -0.73 2.14 0.41 0.00 0.00 0.00 179.25 181.10 1bku n GLY 30 N -0.21 3.01 3.70 0.00 0.00 -1.26 -4.99 105.19 105.45 1bku n GLY 30 Ca -0.10 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 3.48 3.00 -2.00 2.61 2.01 -1.25 -5.08 115.64 118.40 1bku s THR 31 Ca 0.51 0.55 0.19 0.00 0.31 0.00 0.00 61.69 63.24 1bku s THR 31 Cb 0.04 -3.35 0.53 0.00 0.01 0.00 0.00 72.50 69.73 1bku s THR 31 CO 0.04 0.01 1.51 -0.81 -0.69 0.00 0.00 174.62 174.68