#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u85 n SER 2 N 0.00 5.47 -4.67 1.61 7.64 -1.26 -5.03 113.62 117.38 1u85 n SER 2 Ca 0.00 -3.75 -0.43 0.00 1.01 0.00 0.00 58.87 55.70 1u85 n SER 2 Cb 0.00 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 62.55 1u85 n SER 2 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1u85 s THR 3 N -5.36 4.68 -0.26 0.44 2.01 -1.26 -4.92 115.64 110.96 1u85 s THR 3 Ca 0.49 2.00 -0.12 0.00 0.31 0.00 0.00 61.69 64.36 1u85 s THR 3 Cb 0.40 -4.29 -0.12 0.00 0.01 0.00 0.00 72.50 68.51 1u85 s THR 3 CO -0.25 -0.12 -0.33 0.61 -0.69 0.00 0.00 174.62 173.84 1u85 n GLY 4 N 3.27 -0.42 3.69 4.40 0.00 -1.26 -4.92 105.19 109.95 1u85 n GLY 4 Ca 0.11 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1u85 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u85 s ILE 5 N -2.48 5.06 0.28 -0.61 -1.09 -1.26 -4.72 121.20 116.38 1u85 s ILE 5 Ca -0.37 1.21 0.09 0.00 -2.23 0.00 0.00 60.65 59.36 1u85 s ILE 5 Cb 0.14 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1u85 s ILE 5 CO 0.47 0.20 0.02 -0.54 -1.23 0.00 0.00 174.94 173.85 1u85 s LYS 6 N 1.32 2.32 0.64 2.79 3.01 -1.26 -5.01 119.74 123.55 1u85 s LYS 6 Ca 0.31 -1.43 0.38 0.00 -1.01 0.00 0.00 55.97 54.22 1u85 s LYS 6 Cb -0.16 -2.17 2.17 0.00 -1.01 0.00 0.00 37.83 36.65 1u85 s LYS 6 CO 0.12 0.33 2.32 -1.00 0.51 0.00 0.00 175.35 177.63 1u85 h PRO 7 N 1.83 0.00 -5.05 -1.68 0.13 -1.92 -3.37 132.00 121.93 1u85 h PRO 7 Ca -0.44 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 1u85 h PRO 7 Cb 1.25 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.06 1u85 h PRO 7 CO 0.61 0.00 -0.81 -0.06 -0.23 0.00 0.00 178.00 177.51 1u85 s PHE 8 N -4.36 2.83 -0.00 1.56 0.08 -0.95 -5.04 117.98 112.10 1u85 s PHE 8 Ca -0.05 -1.37 0.03 0.00 0.12 0.00 0.00 56.93 55.66 1u85 s PHE 8 Cb 0.14 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1u85 s PHE 8 CO 0.47 -0.70 -0.09 -0.65 -0.10 0.00 0.00 175.22 174.15 1u85 s GLN 9 N 1.30 0.72 -0.02 0.44 -0.21 -1.26 0.01 119.66 120.64 1u85 s GLN 9 Ca 0.04 -0.36 -0.28 0.00 0.02 0.00 0.00 55.36 54.78 1u85 s GLN 9 Cb -0.14 -0.69 -0.03 0.00 1.00 0.00 0.00 33.01 33.15 1u85 s GLN 9 CO -0.09 0.19 0.90 0.00 -2.12 0.00 0.00 175.29 174.17 1u85 n PRO 11 N 3.86 1.64 -0.08 0.00 -0.04 -1.26 -2.29 135.00 136.82 1u85 n PRO 11 Ca 0.04 -0.96 -0.16 0.00 -0.04 0.00 0.00 63.50 62.37 1u85 n PRO 11 Cb 0.51 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 1u85 n PRO 11 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1u85 n ASP 12 N 0.19 1.15 -0.33 3.54 2.03 -1.26 -4.72 116.55 117.16 1u85 n ASP 12 Ca 0.15 0.20 0.09 0.00 0.52 0.00 0.00 54.79 55.75 1u85 n ASP 12 Cb 0.29 -0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 40.19 1u85 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u85 n ASP 14 N -0.39 -4.27 -4.80 0.00 -0.08 -0.97 -5.00 116.55 101.04 1u85 n ASP 14 Ca 0.07 -0.07 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1u85 n ASP 14 Cb 0.37 -3.35 0.01 0.00 2.34 0.00 0.00 41.12 40.50 1u85 n ASP 14 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1u85 s TRP 15 N -2.77 2.99 -0.04 -0.67 0.52 -1.23 -4.78 118.94 112.96 1u85 s TRP 15 Ca 0.07 1.51 0.02 0.00 0.02 0.00 0.00 56.10 57.72 1u85 s TRP 15 Cb -0.03 -3.01 0.01 0.00 -1.15 0.00 0.00 33.47 29.29 1u85 s TRP 15 CO 0.09 -1.12 -0.08 -1.12 0.02 0.00 0.00 176.95 174.74 1u85 s SER 16 N -2.79 1.20 0.01 2.95 0.01 -1.26 0.03 113.70 113.84 1u85 s SER 16 Ca 0.64 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.74 1u85 s SER 16 Cb -0.16 -0.47 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 1u85 s SER 16 CO 0.37 0.01 -0.09 -0.36 0.41 0.00 0.00 173.24 173.59 1u85 s PHE 17 N 0.55 0.78 -1.69 2.43 0.40 0.10 -4.89 117.98 115.66 1u85 s PHE 17 Ca -0.09 -0.22 0.27 0.00 -0.60 0.00 0.00 56.93 56.29 1u85 s PHE 17 Cb -0.12 -0.49 0.83 0.00 0.51 0.00 0.00 43.02 43.76 1u85 s PHE 17 CO 0.01 -0.02 1.61 0.43 0.70 0.00 0.00 175.22 177.96 1u85 n SER 18 N 2.52 0.89 -4.09 1.36 7.64 -1.26 -2.24 113.62 118.44 1u85 n SER 18 Ca -0.15 -0.79 -0.28 0.00 1.01 0.00 0.00 58.87 58.66 1u85 n SER 18 Cb 0.56 0.10 -0.17 0.00 -1.01 0.00 0.00 64.21 63.70 1u85 n SER 18 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1u85 s ARG 19 N -2.52 2.22 0.27 1.43 0.52 -1.26 -4.89 118.95 114.72 1u85 s ARG 19 Ca 0.24 -0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 1u85 s ARG 19 Cb 0.19 -1.77 0.35 0.00 0.52 0.00 0.00 34.95 34.25 1u85 s ARG 19 CO 0.52 0.07 1.95 0.66 0.02 0.00 0.00 175.30 178.52 1u85 h SER 20 N 6.93 1.06 0.03 0.23 4.64 -1.97 -0.42 113.55 124.05 1u85 h SER 20 Ca -0.27 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1u85 h SER 20 Cb 1.20 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1u85 h SER 20 CO 0.47 0.76 -0.20 -0.78 -0.87 0.00 0.00 176.83 176.22 1u85 h ASP 21 N 1.25 0.30 0.18 4.97 3.58 -1.98 0.11 116.42 124.82 1u85 h ASP 21 Ca 0.34 -0.08 -0.25 0.00 0.42 0.00 0.00 57.03 57.45 1u85 h ASP 21 Cb -0.13 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 40.85 1u85 h ASP 21 CO -0.08 0.52 -1.03 0.45 -2.88 0.00 0.00 179.24 176.22 1u85 h HIS 22 N 0.28 0.85 -0.46 0.28 3.86 -1.75 -1.10 115.15 117.11 1u85 h HIS 22 Ca 0.05 -0.47 -0.03 0.00 -1.16 0.00 0.00 60.37 58.76 1u85 h HIS 22 Cb 0.52 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1u85 h HIS 22 CO 0.01 1.31 0.18 1.25 0.86 0.00 0.00 177.93 181.54 1u85 h LEU 23 N 0.30 0.64 -1.12 2.43 5.85 -0.75 -0.97 115.31 121.69 1u85 h LEU 23 Ca -0.12 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1u85 h LEU 23 Cb 1.68 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 1u85 h LEU 23 CO 0.19 0.64 0.18 0.00 -0.34 0.00 0.00 178.44 179.11 1u85 h ALA 24 N 1.03 1.30 -0.73 1.25 0.00 -0.77 0.55 119.26 121.88 1u85 h ALA 24 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1u85 h ALA 24 Cb 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1u85 h ALA 24 CO -0.01 0.51 0.34 -0.07 0.00 0.00 0.00 179.25 180.02 1u85 h LEU 25 N 0.78 0.95 -0.25 0.00 3.38 -0.62 -1.48 115.31 118.08 1u85 h LEU 25 Ca 0.18 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 1u85 h LEU 25 Cb 0.21 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1u85 h LEU 25 CO -0.01 0.81 -0.75 -0.74 0.09 0.00 0.00 178.44 177.84 1u85 h HIS 26 N 1.04 0.91 -0.20 1.13 2.76 -0.32 -3.18 115.15 117.30 1u85 h HIS 26 Ca 0.25 -0.40 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1u85 h HIS 26 Cb 0.12 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1u85 h HIS 26 CO 0.01 1.21 0.00 0.54 -1.30 0.00 0.00 177.93 178.39 1u85 n ARG 27 N -3.91 1.53 -0.25 5.26 1.74 0.10 -3.81 116.66 117.32 1u85 n ARG 27 Ca -0.06 -0.81 -0.06 0.00 -0.77 0.00 0.00 57.85 56.14 1u85 n ARG 27 Cb 0.73 -1.24 0.05 0.00 -1.02 0.00 0.00 32.46 30.97 1u85 n ARG 27 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1u85 h LYS 28 N 1.42 1.02 0.00 5.56 1.57 -1.26 0.30 116.57 125.18 1u85 h LYS 28 Ca 0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1u85 h LYS 28 Cb 0.32 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1u85 h LYS 28 CO 0.00 0.82 0.00 0.07 -0.57 0.00 0.00 179.45 179.77 1u85 h ARG 29 N 0.98 0.00 0.10 3.15 0.11 -1.81 0.94 114.38 117.85 1u85 h ARG 29 Ca 0.24 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.12 1u85 h ARG 29 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1u85 h ARG 29 CO -0.02 0.00 -0.96 0.45 0.10 0.00 0.00 179.97 179.54 1u85 h HIS 30 N 0.00 0.38 -0.00 4.08 3.86 -1.40 -3.32 115.15 118.75 1u85 h HIS 30 Ca 0.00 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1u85 h HIS 30 Cb 0.58 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1u85 h HIS 30 CO 0.00 1.37 -0.03 -1.33 0.86 0.00 0.00 177.93 178.81 1u85 n MET 31 N -4.15 0.47 -3.16 2.45 2.81 0.93 -4.93 117.12 111.55 1u85 n MET 31 Ca -0.19 -0.04 -0.14 0.00 -1.81 0.00 0.00 57.70 55.52 1u85 n MET 31 Cb 0.79 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.87 1u85 n MET 31 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1u85 n LEU 32 N -1.23 -4.30 -0.86 4.03 7.94 -0.24 -5.05 117.00 117.29 1u85 n LEU 32 Ca 0.14 -0.57 0.11 0.00 -1.11 0.00 0.00 56.01 54.58 1u85 n LEU 32 Cb 0.25 -2.81 0.09 0.00 0.53 0.00 0.00 43.42 41.48 1u85 n LEU 32 CO 0.23 0.24 0.59 0.52 -1.11 0.00 0.00 177.39 177.86