#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bz5 n PRO 2 N 0.00 0.99 0.21 2.89 -0.02 -1.26 -4.93 135.00 132.88 1bz5 n PRO 2 Ca 0.00 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 61.92 1bz5 n PRO 2 Cb 0.00 -2.52 0.45 0.00 -0.02 0.00 0.00 33.50 31.41 1bz5 n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bz5 h ASP 3 N 0.35 0.00 0.50 2.55 5.19 -2.03 -2.39 116.42 120.58 1bz5 h ASP 3 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1bz5 h ASP 3 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1bz5 h ASP 3 CO 0.52 0.25 0.00 2.19 -3.12 0.00 0.00 179.24 179.08 1bz5 h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.98 -1.72 116.94 112.63 1bz5 h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1bz5 h PHE 4 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.62 1bz5 h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1bz5 n LEU 6 N -1.96 0.66 -4.80 0.00 4.77 -0.65 -4.44 117.00 110.59 1bz5 n LEU 6 Ca 0.03 -0.12 -0.35 0.00 -0.03 0.00 0.00 56.01 55.54 1bz5 n LEU 6 Cb 0.20 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1bz5 n LEU 6 CO 0.17 0.12 0.69 -1.83 -1.33 0.00 0.00 177.39 175.21 1bz5 s GLU 7 N -3.08 4.14 0.65 3.23 -1.05 -1.02 -4.94 118.70 116.64 1bz5 s GLU 7 Ca 0.07 1.33 -0.16 0.00 -0.15 0.00 0.00 54.97 56.07 1bz5 s GLU 7 Cb 0.16 -2.35 -0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1bz5 s GLU 7 CO 0.78 -0.13 1.13 -2.14 0.95 0.00 0.00 175.26 175.84 1bz5 s PRO 8 N -2.84 2.76 0.43 -4.83 0.02 -1.26 -4.90 135.00 124.38 1bz5 s PRO 8 Ca 0.61 1.49 -0.26 0.00 0.02 0.00 0.00 61.00 62.86 1bz5 s PRO 8 Cb -0.16 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 1bz5 s PRO 8 CO 0.21 -1.30 1.38 -1.25 -0.33 0.00 0.00 177.00 175.71 1bz5 s PRO 9 N -3.93 3.83 -0.25 5.54 0.04 -1.26 -4.98 135.00 133.99 1bz5 s PRO 9 Ca 0.69 2.32 0.02 0.00 0.04 0.00 0.00 61.00 64.08 1bz5 s PRO 9 Cb -0.23 -2.72 0.06 0.00 0.04 0.00 0.00 34.50 31.65 1bz5 s PRO 9 CO 0.40 -0.67 -0.11 -0.47 0.04 0.00 0.00 177.00 176.20 1bz5 s TYR 10 N -1.22 3.03 0.11 0.56 5.04 -1.26 -5.01 117.35 118.60 1bz5 s TYR 10 Ca 0.59 -2.13 -0.14 0.00 -2.44 0.00 0.00 57.07 52.95 1bz5 s TYR 10 Cb -0.42 -1.85 -0.08 0.00 0.35 0.00 0.00 41.96 39.97 1bz5 s TYR 10 CO 0.54 -0.85 1.43 1.15 -1.34 0.00 0.00 175.55 176.48 1bz5 h THR 11 N 6.67 1.29 0.00 4.34 2.02 -1.95 -3.44 112.91 121.85 1bz5 h THR 11 Ca -0.21 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1bz5 h THR 11 Cb 1.06 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1bz5 h THR 11 CO 0.46 0.49 0.00 0.61 0.37 0.00 0.00 175.52 177.46 1bz5 n GLY 12 N 0.19 -0.14 0.10 2.16 0.00 -1.26 -0.44 105.19 105.80 1bz5 n GLY 12 Ca -0.04 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.34 1bz5 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bz5 n PRO 13 N -0.03 0.21 -1.69 1.61 -0.04 -1.26 -4.71 135.00 129.10 1bz5 n PRO 13 Ca 0.00 0.28 -0.31 0.00 -0.04 0.00 0.00 63.50 63.42 1bz5 n PRO 13 Cb 0.00 -1.80 0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1bz5 n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bz5 n LYS 15 N -2.92 1.52 -2.01 0.00 4.76 -1.22 -4.47 118.16 113.82 1bz5 n LYS 15 Ca 0.07 -0.78 -0.32 0.00 -2.87 0.00 0.00 58.31 54.42 1bz5 n LYS 15 Cb 0.54 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1bz5 n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bz5 s ALA 16 N -2.01 2.96 -0.68 7.82 0.00 -0.09 -5.02 121.76 124.75 1bz5 s ALA 16 Ca 0.39 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.50 1bz5 s ALA 16 Cb 0.21 -3.13 0.21 0.00 0.00 0.00 0.00 23.12 20.41 1bz5 s ALA 16 CO 0.35 -0.66 0.61 0.54 0.00 0.00 0.00 175.76 176.60 1bz5 n ARG 17 N -2.35 2.15 -4.11 0.00 3.00 -1.26 -3.95 116.66 110.14 1bz5 n ARG 17 Ca 0.07 -4.57 -0.35 0.00 -0.01 0.00 0.00 57.85 52.99 1bz5 n ARG 17 Cb 0.54 -2.27 -0.09 0.00 0.00 0.00 0.00 32.46 30.64 1bz5 n ARG 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1bz5 s ILE 18 N -1.93 4.77 -0.02 0.55 -1.09 -0.90 -4.93 121.20 117.64 1bz5 s ILE 18 Ca 0.32 -0.06 -0.27 0.00 -2.23 0.00 0.00 60.65 58.41 1bz5 s ILE 18 Cb 0.05 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1bz5 s ILE 18 CO -0.10 0.55 0.87 -0.63 -1.23 0.00 0.00 174.94 174.40 1bz5 s ILE 19 N -0.40 4.93 0.26 2.92 1.01 -1.26 -0.12 121.20 128.55 1bz5 s ILE 19 Ca 0.09 1.82 0.02 0.00 0.00 0.00 0.00 60.65 62.58 1bz5 s ILE 19 Cb -0.12 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 1bz5 s ILE 19 CO 0.02 0.20 0.07 -0.13 0.00 0.00 0.00 174.94 175.10 1bz5 s ARG 20 N 0.91 1.42 0.07 2.79 1.81 -0.58 -4.92 118.95 120.44 1bz5 s ARG 20 Ca 0.46 -1.76 0.08 0.00 -1.72 0.00 0.00 55.73 52.79 1bz5 s ARG 20 Cb -0.20 -0.40 -0.03 0.00 -0.45 0.00 0.00 34.95 33.87 1bz5 s ARG 20 CO 0.24 -0.25 -0.20 0.71 -0.68 0.00 0.00 175.30 175.13 1bz5 s TYR 21 N -3.64 2.50 0.04 -0.53 2.02 0.00 -1.37 117.35 116.37 1bz5 s TYR 21 Ca 0.36 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1bz5 s TYR 21 Cb 0.08 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1bz5 s TYR 21 CO 0.13 0.28 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.76 1bz5 s PHE 22 N -0.98 0.45 -0.15 2.71 -0.71 -0.15 -0.49 117.98 118.65 1bz5 s PHE 22 Ca 0.15 -0.69 -0.23 0.00 -1.04 0.00 0.00 56.93 55.12 1bz5 s PHE 22 Cb -0.10 -0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 41.38 1bz5 s PHE 22 CO 0.06 -0.21 0.73 -0.47 -1.34 0.00 0.00 175.22 173.99 1bz5 s TYR 23 N -2.21 3.45 -0.59 3.49 5.04 -1.26 -0.94 117.35 124.33 1bz5 s TYR 23 Ca -0.07 1.15 -0.16 0.00 -2.44 0.00 0.00 57.07 55.55 1bz5 s TYR 23 Cb -0.04 -2.89 0.13 0.00 0.35 0.00 0.00 41.96 39.51 1bz5 s TYR 23 CO -0.03 -0.12 0.58 1.21 -1.34 0.00 0.00 175.55 175.84 1bz5 s ASN 24 N 1.06 6.25 0.36 4.32 3.04 -0.28 -4.79 114.94 124.91 1bz5 s ASN 24 Ca 0.35 -1.81 0.09 0.00 0.04 0.00 0.00 52.86 51.53 1bz5 s ASN 24 Cb -0.17 -2.23 0.82 0.00 -1.54 0.00 0.00 41.25 38.14 1bz5 s ASN 24 CO 0.13 -0.89 1.88 0.00 -3.04 0.00 0.00 177.10 175.19 1bz5 h ALA 25 N 8.84 1.84 0.35 1.71 0.00 -1.83 0.15 119.26 130.30 1bz5 h ALA 25 Ca -0.25 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1bz5 h ALA 25 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1bz5 h ALA 25 CO 1.02 -0.07 -0.17 -0.22 0.00 0.00 0.00 179.25 179.82 1bz5 h LYS 26 N 0.68 -0.45 0.00 0.00 3.11 -1.94 -3.08 116.57 114.89 1bz5 h LYS 26 Ca 0.43 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.29 1bz5 h LYS 26 Cb 0.69 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1bz5 h LYS 26 CO -0.19 -0.14 -0.07 0.00 -2.81 0.00 0.00 179.45 176.24 1bz5 h ALA 27 N -0.26 1.06 -0.29 5.00 0.00 -1.91 -3.46 119.26 119.39 1bz5 h ALA 27 Ca -0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1bz5 h ALA 27 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1bz5 h ALA 27 CO 0.08 0.09 -0.09 0.41 0.00 0.00 0.00 179.25 179.73 1bz5 n GLY 28 N -0.23 0.66 3.71 0.00 0.00 0.48 -5.01 105.19 104.80 1bz5 n GLY 28 Ca -0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1bz5 n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bz5 s LEU 29 N -1.12 0.06 0.11 0.99 0.05 -1.16 -5.00 118.68 112.61 1bz5 s LEU 29 Ca 0.00 -0.79 -0.21 0.00 0.05 0.00 0.00 54.13 53.19 1bz5 s LEU 29 Cb 0.00 2.20 -0.07 0.00 -2.05 0.00 0.00 46.19 46.27 1bz5 s LEU 29 CO 0.00 -1.23 0.64 0.00 -0.55 0.00 0.00 176.35 175.20 1bz5 s GLN 31 N -1.23 1.49 0.34 0.00 -0.21 -0.11 -4.93 119.66 115.01 1bz5 s GLN 31 Ca 0.32 -1.80 -0.05 0.00 0.02 0.00 0.00 55.36 53.86 1bz5 s GLN 31 Cb -0.20 -0.64 -0.05 0.00 1.00 0.00 0.00 33.01 33.12 1bz5 s GLN 31 CO 0.21 -0.18 0.62 0.95 -2.12 0.00 0.00 175.29 174.77 1bz5 s THR 32 N -3.45 4.99 0.17 -0.19 -4.23 -1.26 -0.98 115.64 110.69 1bz5 s THR 32 Ca 0.34 0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.72 1bz5 s THR 32 Cb 0.07 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 70.19 1bz5 s THR 32 CO 0.13 -0.47 0.54 0.72 -0.54 0.00 0.00 174.62 174.99 1bz5 s PHE 33 N -2.26 -0.32 -0.28 3.99 -0.71 -0.47 -4.89 117.98 113.03 1bz5 s PHE 33 Ca 0.45 0.04 -0.16 0.00 -1.04 0.00 0.00 56.93 56.22 1bz5 s PHE 33 Cb -0.10 0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 1bz5 s PHE 33 CO 0.33 -0.85 0.41 0.08 -1.34 0.00 0.00 175.22 173.85 1bz5 s VAL 34 N -3.81 5.14 -0.12 -2.49 1.01 -1.26 -1.53 120.40 117.34 1bz5 s VAL 34 Ca 0.04 0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 1bz5 s VAL 34 Cb -0.01 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1bz5 s VAL 34 CO -0.09 0.09 0.21 -0.47 0.00 0.00 0.00 175.10 174.83 1bz5 s TYR 35 N 2.14 3.56 -0.16 5.22 5.04 0.83 -4.39 117.35 129.59 1bz5 s TYR 35 Ca 0.16 0.58 0.26 0.00 -2.44 0.00 0.00 57.07 55.63 1bz5 s TYR 35 Cb -0.16 -2.10 0.75 0.00 0.35 0.00 0.00 41.96 40.80 1bz5 s TYR 35 CO 0.10 0.55 1.76 0.78 -1.34 0.00 0.00 175.55 177.40 1bz5 h GLY 36 N 5.55 0.00 0.00 8.97 0.00 -0.88 -2.39 103.07 114.32 1bz5 h GLY 36 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1bz5 h GLY 36 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1bz5 n GLY 37 N 0.62 1.28 3.37 4.60 0.00 -1.26 -0.91 105.19 112.89 1bz5 n GLY 37 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1bz5 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bz5 n ARG 39 N -0.23 -6.55 -1.86 0.00 3.00 -1.26 -4.55 116.66 105.20 1bz5 n ARG 39 Ca -0.11 0.75 -0.38 0.00 -0.01 0.00 0.00 57.85 58.10 1bz5 n ARG 39 Cb 0.63 -5.71 0.04 0.00 0.00 0.00 0.00 32.46 27.41 1bz5 n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bz5 s ALA 40 N -3.27 2.76 0.53 7.54 0.00 -1.26 -4.88 121.76 123.16 1bz5 s ALA 40 Ca 0.57 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.80 1bz5 s ALA 40 Cb -0.26 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.36 1bz5 s ALA 40 CO 0.70 -1.29 0.73 0.15 0.00 0.00 0.00 175.76 176.05 1bz5 s LYS 41 N -2.98 2.54 0.42 0.00 -0.14 -1.26 -5.02 119.74 113.29 1bz5 s LYS 41 Ca 0.73 -1.03 0.15 0.00 -1.36 0.00 0.00 55.97 54.45 1bz5 s LYS 41 Cb -0.38 -2.57 0.92 0.00 -1.68 0.00 0.00 37.83 34.12 1bz5 s LYS 41 CO 0.44 -0.65 1.92 0.00 -0.76 0.00 0.00 175.35 176.30 1bz5 h ARG 42 N 0.21 0.00 -3.31 1.68 3.08 -1.96 -3.28 114.38 110.80 1bz5 h ARG 42 Ca -0.40 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.92 1bz5 h ARG 42 Cb 1.29 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.24 1bz5 h ARG 42 CO 0.48 0.27 2.57 -1.71 -1.07 0.00 0.00 179.97 180.50 1bz5 n ASN 43 N -4.12 6.06 -3.45 7.04 5.15 -1.26 -4.74 115.26 119.94 1bz5 n ASN 43 Ca -0.02 -3.00 -0.10 0.00 -0.60 0.00 0.00 54.58 50.86 1bz5 n ASN 43 Cb 0.32 -1.49 -0.09 0.00 -0.53 0.00 0.00 39.78 37.99 1bz5 n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bz5 s ASN 44 N 1.33 0.16 -0.04 1.20 3.84 -1.24 -4.57 114.94 115.62 1bz5 s ASN 44 Ca 0.48 0.43 0.05 0.00 0.21 0.00 0.00 52.86 54.03 1bz5 s ASN 44 Cb 0.14 1.12 -0.01 0.00 -0.55 0.00 0.00 41.25 41.95 1bz5 s ASN 44 CO -0.05 -0.28 -0.19 -0.36 -2.79 0.00 0.00 177.10 173.43 1bz5 s PHE 45 N 2.55 1.91 0.19 0.43 0.40 0.35 -4.94 117.98 118.87 1bz5 s PHE 45 Ca 0.08 -0.54 0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1bz5 s PHE 45 Cb -0.14 -1.27 0.08 0.00 0.51 0.00 0.00 43.02 42.19 1bz5 s PHE 45 CO -0.14 -0.17 1.44 -0.22 0.70 0.00 0.00 175.22 176.83 1bz5 h LYS 46 N 6.14 0.05 -5.57 0.44 3.64 -1.92 0.05 116.57 119.40 1bz5 h LYS 46 Ca -0.33 -0.05 -0.67 0.00 -1.27 0.00 0.00 60.65 58.33 1bz5 h LYS 46 Cb 1.17 0.01 -0.29 0.00 -0.41 0.00 0.00 32.23 32.72 1bz5 h LYS 46 CO 0.48 0.83 -0.82 0.45 -2.27 0.00 0.00 179.45 178.12 1bz5 s SER 47 N -6.82 3.62 0.41 4.20 0.15 -1.26 -4.85 113.70 109.15 1bz5 s SER 47 Ca -0.01 -0.40 0.13 0.00 0.70 0.00 0.00 55.95 56.37 1bz5 s SER 47 Cb 0.11 -1.33 0.86 0.00 -1.71 0.00 0.00 66.02 63.95 1bz5 s SER 47 CO 0.80 0.20 1.91 0.00 1.20 0.00 0.00 173.24 177.35 1bz5 h ALA 48 N 6.42 1.54 -0.31 5.45 0.00 -1.98 -2.33 119.26 128.05 1bz5 h ALA 48 Ca -0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1bz5 h ALA 48 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1bz5 h ALA 48 CO 0.51 0.34 0.17 1.49 0.00 0.00 0.00 179.25 181.77 1bz5 h GLU 49 N 0.01 0.42 -0.51 0.00 4.81 -1.99 -1.83 114.58 115.50 1bz5 h GLU 49 Ca -0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1bz5 h GLU 49 Cb 0.48 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1bz5 h GLU 49 CO 0.04 0.35 0.14 -0.44 -0.73 0.00 0.00 179.01 178.36 1bz5 h ASP 50 N 0.38 0.71 -0.17 1.04 3.32 -1.89 -2.44 116.42 117.38 1bz5 h ASP 50 Ca 0.11 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1bz5 h ASP 50 Cb 0.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1bz5 h ASP 50 CO -0.02 0.69 0.01 0.00 -1.72 0.00 0.00 179.24 178.21 1bz5 h MET 52 N 0.05 0.74 -0.25 0.00 2.86 -1.20 -1.23 114.93 115.90 1bz5 h MET 52 Ca 0.05 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 1bz5 h MET 52 Cb 0.34 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1bz5 h MET 52 CO 0.01 0.64 -0.21 -0.09 1.06 0.00 0.00 176.91 178.32 1bz5 h ARG 53 N 0.67 0.59 -0.16 1.72 2.43 -1.45 0.70 114.38 118.88 1bz5 h ARG 53 Ca 0.17 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 1bz5 h ARG 53 Cb 0.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1bz5 h ARG 53 CO -0.02 0.89 -0.18 1.15 -1.51 0.00 0.00 179.97 180.30 1bz5 h THR 54 N 0.31 1.35 0.00 0.20 2.02 -1.15 -3.37 112.91 112.27 1bz5 h THR 54 Ca 0.05 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1bz5 h THR 54 Cb 0.76 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1bz5 h THR 54 CO 0.05 0.40 -1.88 0.00 0.37 0.00 0.00 175.52 174.47