#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bku s SER 2 N 0.00 5.24 0.94 0.00 0.01 -1.26 -4.81 113.70 113.81 1bku s SER 2 Ca 0.00 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1bku s SER 2 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1bku s SER 2 CO 0.00 -2.39 0.00 0.59 0.41 0.00 0.00 173.24 171.85 1bku n ASN 3 N 12.88 0.00 -2.71 2.44 4.13 -1.26 -1.46 115.26 129.28 1bku n ASN 3 Ca 0.21 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.41 1bku n ASN 3 Cb 0.52 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.80 1bku n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bku n LEU 4 N 0.00 1.66 0.14 3.41 -0.00 -1.26 -4.58 117.00 116.36 1bku n LEU 4 Ca 0.00 -3.50 0.00 0.00 -0.00 0.00 0.00 56.01 52.51 1bku n LEU 4 Cb 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1bku n LEU 4 CO 0.00 1.38 0.00 -1.20 -0.00 0.00 0.00 177.39 177.57 1bku n SER 5 N -0.30 -1.31 -0.24 1.45 7.64 -1.26 -4.66 113.62 114.95 1bku n SER 5 Ca 0.10 0.49 -0.07 0.00 1.01 0.00 0.00 58.87 60.39 1bku n SER 5 Cb 0.81 1.37 0.04 0.00 -1.01 0.00 0.00 64.21 65.42 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 1.26 -0.24 0.44 2.02 -1.90 -1.17 112.91 113.33 1bku h THR 6 Ca 0.00 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.27 1bku h THR 6 Cb 0.00 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1bku h THR 6 CO 0.00 0.36 0.03 0.00 0.37 0.00 0.00 175.52 176.28 1bku h VAL 8 N 0.11 0.72 -0.98 0.00 2.07 -1.77 -0.74 116.25 115.67 1bku h VAL 8 Ca 0.11 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1bku h VAL 8 Cb 0.12 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 1bku h VAL 8 CO -0.16 0.06 0.63 -0.07 0.02 0.00 0.00 177.57 178.05 1bku h LEU 9 N -0.57 0.99 -0.33 2.57 3.38 -1.23 -1.16 115.31 118.95 1bku h LEU 9 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1bku h LEU 9 Cb 0.42 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1bku h LEU 9 CO 0.07 0.62 0.21 1.23 0.09 0.00 0.00 178.44 180.66 1bku h GLY 10 N 1.12 0.48 0.99 0.83 0.00 -0.87 -1.06 103.07 104.56 1bku h GLY 10 Ca 0.43 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 1bku h GLY 10 CO -0.18 0.18 0.01 1.70 0.00 0.00 0.00 176.54 178.26 1bku h LYS 11 N 0.44 0.81 -0.26 4.80 1.63 -0.56 -1.18 116.57 122.24 1bku h LYS 11 Ca 0.12 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 1bku h LYS 11 Cb -0.02 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 1bku h LYS 11 CO -0.02 0.86 0.11 -0.07 -3.45 0.00 0.00 179.45 176.87 1bku h LEU 12 N 0.67 0.36 -0.29 5.20 3.38 -1.16 -0.53 115.31 122.93 1bku h LEU 12 Ca 0.13 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1bku h LEU 12 Cb 0.48 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1bku h LEU 12 CO 0.02 0.42 0.11 -1.28 0.09 0.00 0.00 178.44 177.80 1bku h SER 13 N 0.28 0.14 -0.30 -0.43 0.87 -1.10 -0.85 113.55 112.15 1bku h SER 13 Ca 0.09 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1bku h SER 13 Cb 0.17 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 1bku h SER 13 CO -0.01 0.11 0.06 -0.61 -0.53 0.00 0.00 176.83 175.86 1bku h GLN 14 N 0.25 0.17 -0.22 2.24 -0.00 -1.09 -1.36 115.11 115.09 1bku h GLN 14 Ca 0.13 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.75 1bku h GLN 14 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.52 1bku h GLN 14 CO -0.12 0.11 0.08 1.49 0.00 0.00 0.00 178.83 180.39 1bku h GLU 15 N 0.17 0.34 -0.64 1.69 4.81 -0.72 -0.21 114.58 120.01 1bku h GLU 15 Ca 0.14 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1bku h GLU 15 Cb 0.14 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1bku h GLU 15 CO -0.18 0.41 0.25 -0.07 -0.73 0.00 0.00 179.01 178.69 1bku h LEU 16 N 0.20 0.89 -0.62 1.64 3.38 -1.11 -0.95 115.31 118.74 1bku h LEU 16 Ca 0.07 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1bku h LEU 16 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1bku h LEU 16 CO -0.00 0.83 0.09 -0.74 0.09 0.00 0.00 178.44 178.70 1bku h HIS 17 N 0.91 1.10 0.49 1.13 2.76 -1.09 -0.94 115.15 119.51 1bku h HIS 17 Ca 0.21 -0.16 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1bku h HIS 17 Cb 0.22 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1bku h HIS 17 CO 0.01 0.94 -0.24 -0.22 -1.30 0.00 0.00 177.93 177.13 1bku h LYS 18 N 0.94 -0.64 0.25 5.26 1.63 -0.84 -3.39 116.57 119.78 1bku h LYS 18 Ca 0.19 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1bku h LYS 18 Cb 0.45 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1bku h LYS 18 CO 0.01 -0.43 -0.12 -0.07 -3.45 0.00 0.00 179.45 175.40 1bku h LEU 19 N -0.96 -0.28 0.00 5.20 3.38 -1.27 -3.35 115.31 118.03 1bku h LEU 19 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1bku h LEU 19 Cb 0.51 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1bku h LEU 19 CO 0.11 -0.11 0.00 1.67 0.09 0.00 0.00 178.44 180.20 1bku n GLN 20 N -3.35 0.00 0.12 1.13 7.27 -0.36 -1.17 117.38 121.02 1bku n GLN 20 Ca -0.04 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.05 1bku n GLN 20 Cb 0.13 0.00 0.36 0.00 2.41 0.00 0.00 30.24 33.14 1bku n GLN 20 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1bku h THR 21 N 0.00 1.20 0.00 1.69 2.02 -1.87 -3.49 112.91 112.47 1bku h THR 21 Ca 0.00 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1bku h THR 21 Cb 0.00 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1bku h THR 21 CO 0.00 0.28 0.00 -1.22 0.37 0.00 0.00 175.52 174.95 1bku n TYR 22 N -4.22 0.00 0.31 3.16 4.01 -0.31 -4.85 117.16 115.25 1bku n TYR 22 Ca -0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1bku n TYR 22 Cb 0.31 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.00 -0.77 -2.90 -0.72 0.13 -1.94 -3.43 132.00 122.37 1bku h PRO 23 Ca 0.00 0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1bku h PRO 23 Cb 0.00 0.18 -0.11 0.00 0.13 0.00 0.00 31.00 31.20 1bku h PRO 23 CO 0.00 -0.46 0.25 -0.98 -0.23 0.00 0.00 178.00 176.58 1bku s ARG 24 N -5.13 1.31 -0.89 0.86 1.70 -1.26 -5.01 118.95 110.53 1bku s ARG 24 Ca -0.15 -0.55 -0.25 0.00 -0.47 0.00 0.00 55.73 54.31 1bku s ARG 24 Cb 0.02 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.95 1bku s ARG 24 CO 0.52 -0.58 1.80 0.99 -1.08 0.00 0.00 175.30 176.95 1bku s THR 25 N -3.69 3.55 0.20 4.99 2.01 -1.26 -4.62 115.64 116.81 1bku s THR 25 Ca 0.04 -0.36 -0.32 0.00 0.31 0.00 0.00 61.69 61.35 1bku s THR 25 Cb -0.02 -4.27 -0.12 0.00 0.01 0.00 0.00 72.50 68.10 1bku s THR 25 CO -0.09 -1.20 1.72 -0.67 -0.69 0.00 0.00 174.62 173.69 1bku n ASP 26 N 12.52 3.91 -2.54 3.53 2.03 -1.26 -2.07 116.55 132.66 1bku n ASP 26 Ca 0.35 1.06 -0.01 0.00 0.52 0.00 0.00 54.79 56.71 1bku n ASP 26 Cb 0.48 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1bku n ASP 26 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1bku n VAL 27 N 3.96-10.47 -0.30 5.18 0.31 -1.26 -4.85 118.33 110.91 1bku n VAL 27 Ca 0.16 1.49 0.00 0.00 -0.01 0.00 0.00 64.34 65.98 1bku n VAL 27 Cb 0.34 -6.54 0.00 0.00 -0.91 0.00 0.00 33.84 26.73 1bku n VAL 27 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bku n GLY 28 N 0.49 0.86 2.51 2.92 0.00 -1.23 -5.01 105.19 105.73 1bku n GLY 28 Ca 0.01 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.28 6.73 0.01 4.61 0.00 -0.88 -4.70 120.51 126.00 1bku n ALA 29 Ca 0.00 -3.94 -0.00 0.00 0.00 0.00 0.00 53.44 49.49 1bku n ALA 29 Cb 0.10 -3.04 -0.00 0.00 0.00 0.00 0.00 19.45 16.51 1bku n ALA 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bku h GLY 30 N 6.66 -0.03 0.93 0.00 0.00 -1.95 -3.37 103.07 105.31 1bku h GLY 30 Ca 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 48.03 1bku h GLY 30 CO 1.62 -0.01 -0.14 -0.84 0.00 0.00 0.00 176.54 177.17 1bku h THR 31 N -0.05 0.73 0.00 4.70 2.02 -1.90 -3.52 112.91 114.89 1bku h THR 31 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1bku h THR 31 Cb 0.02 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1bku h THR 31 CO 0.00 0.03 0.00 -0.81 0.37 0.00 0.00 175.52 175.12