#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u85 s SER 2 N 0.00 5.78 -0.13 1.61 1.04 -1.26 -5.10 113.70 115.65 1u85 s SER 2 Ca 0.00 -0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.22 1u85 s SER 2 Cb 0.00 -1.58 -0.05 0.00 0.10 0.00 0.00 66.02 64.49 1u85 s SER 2 CO 0.00 0.03 0.34 -0.89 0.98 0.00 0.00 173.24 173.70 1u85 s THR 3 N -1.86 5.25 -0.24 2.02 2.01 -1.26 -4.99 115.64 116.58 1u85 s THR 3 Ca 0.32 0.66 -0.16 0.00 0.31 0.00 0.00 61.69 62.83 1u85 s THR 3 Cb -0.10 -3.67 -0.16 0.00 0.01 0.00 0.00 72.50 68.58 1u85 s THR 3 CO 0.25 0.42 -0.07 0.61 -0.69 0.00 0.00 174.62 175.14 1u85 n GLY 4 N 3.05 -0.61 3.79 4.40 0.00 -1.26 -4.92 105.19 109.63 1u85 n GLY 4 Ca -0.12 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.45 4.81 0.24 -0.61 -1.09 -1.26 -4.75 121.20 116.09 1u85 s ILE 5 Ca -0.34 1.25 0.10 0.00 -2.23 0.00 0.00 60.65 59.43 1u85 s ILE 5 Cb 0.10 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 1u85 s ILE 5 CO 0.56 0.49 -0.18 -0.54 -1.23 0.00 0.00 174.94 174.04 1u85 s LYS 6 N -0.66 1.51 0.45 2.79 1.02 -1.26 -5.02 119.74 118.57 1u85 s LYS 6 Ca 0.30 -1.68 0.30 0.00 0.02 0.00 0.00 55.97 54.91 1u85 s LYS 6 Cb -0.19 -1.47 1.61 0.00 -0.52 0.00 0.00 37.83 37.26 1u85 s LYS 6 CO 0.18 0.26 1.90 -1.00 -0.92 0.00 0.00 175.35 175.78 1u85 h PRO 7 N 2.44 0.00 -4.52 -1.68 0.13 -1.91 -3.34 132.00 123.13 1u85 h PRO 7 Ca -0.39 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.09 1u85 h PRO 7 Cb 1.24 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 1u85 h PRO 7 CO 0.60 0.00 -0.74 -0.06 -0.23 0.00 0.00 178.00 177.58 1u85 s PHE 8 N -3.76 3.31 -0.08 1.56 0.08 -1.01 -5.05 117.98 113.03 1u85 s PHE 8 Ca -0.03 -2.66 0.01 0.00 0.12 0.00 0.00 56.93 54.36 1u85 s PHE 8 Cb 0.09 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1u85 s PHE 8 CO 0.27 -0.92 -0.09 -0.65 -0.10 0.00 0.00 175.22 173.73 1u85 s GLN 9 N 1.06 2.91 0.04 0.44 -0.21 -1.25 0.15 119.66 122.80 1u85 s GLN 9 Ca 0.08 -0.60 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 1u85 s GLN 9 Cb -0.19 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1u85 s GLN 9 CO -0.10 0.53 1.07 0.00 -2.12 0.00 0.00 175.29 174.67 1u85 n PRO 11 N 3.79 1.64 -0.06 0.00 -0.04 -1.26 -2.37 135.00 136.70 1u85 n PRO 11 Ca 0.07 -0.98 -0.12 0.00 -0.04 0.00 0.00 63.50 62.44 1u85 n PRO 11 Cb 0.49 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.23 1.43 -0.33 3.54 -0.08 -1.26 -4.73 116.55 115.35 1u85 n ASP 12 Ca 0.14 0.23 0.10 0.00 -1.51 0.00 0.00 54.79 53.75 1u85 n ASP 12 Cb 0.27 -0.55 -0.03 0.00 2.34 0.00 0.00 41.12 43.15 1u85 n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u85 n ASP 14 N -0.44 -4.15 -4.81 0.00 2.03 -1.00 -5.01 116.55 103.17 1u85 n ASP 14 Ca 0.07 -0.13 -0.31 0.00 0.52 0.00 0.00 54.79 54.94 1u85 n ASP 14 Cb 0.39 -3.11 0.06 0.00 -0.72 0.00 0.00 41.12 37.74 1u85 n ASP 14 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1u85 s TRP 15 N -2.84 3.05 -0.03 -0.67 0.52 -1.23 -4.76 118.94 112.99 1u85 s TRP 15 Ca 0.14 1.41 0.00 0.00 0.02 0.00 0.00 56.10 57.67 1u85 s TRP 15 Cb -0.06 -2.91 0.03 0.00 -1.15 0.00 0.00 33.47 29.38 1u85 s TRP 15 CO 0.17 -1.32 -0.00 -1.54 0.02 0.00 0.00 176.95 174.28 1u85 s SER 16 N -3.77 0.46 -0.00 2.95 1.04 -1.26 0.32 113.70 113.44 1u85 s SER 16 Ca 0.58 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 57.02 1u85 s SER 16 Cb -0.14 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 1u85 s SER 16 CO 0.55 -0.10 -0.13 -0.36 0.98 0.00 0.00 173.24 174.18 1u85 s PHE 17 N 1.02 1.17 -0.85 5.02 0.40 0.12 -4.86 117.98 119.99 1u85 s PHE 17 Ca -0.10 -0.24 0.26 0.00 -0.60 0.00 0.00 56.93 56.25 1u85 s PHE 17 Cb -0.14 -0.74 0.69 0.00 0.51 0.00 0.00 43.02 43.34 1u85 s PHE 17 CO -0.02 -0.01 1.57 -1.13 0.70 0.00 0.00 175.22 176.34 1u85 n SER 18 N 2.63 0.48 -4.29 1.36 3.41 -1.26 -2.40 113.62 113.55 1u85 n SER 18 Ca -0.15 0.18 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 1u85 n SER 18 Cb 0.55 -0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 64.22 1u85 n SER 18 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u85 s ARG 19 N -3.06 3.11 0.34 4.33 0.52 -1.26 -4.88 118.95 118.05 1u85 s ARG 19 Ca 0.10 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.53 1u85 s ARG 19 Cb 0.16 -2.41 0.61 0.00 0.52 0.00 0.00 34.95 33.83 1u85 s ARG 19 CO 0.65 0.23 1.99 0.66 0.02 0.00 0.00 175.30 178.84 1u85 h SER 20 N 6.60 0.72 -0.20 0.23 4.64 -1.96 -0.93 113.55 122.65 1u85 h SER 20 Ca -0.23 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 1u85 h SER 20 Cb 1.22 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 1u85 h SER 20 CO 0.50 0.55 -0.19 -0.78 -0.87 0.00 0.00 176.83 176.05 1u85 h ASP 21 N 0.84 0.64 -0.36 4.97 1.82 -1.98 0.70 116.42 123.05 1u85 h ASP 21 Ca 0.22 -0.21 -0.15 0.00 -0.39 0.00 0.00 57.03 56.50 1u85 h ASP 21 Cb -0.04 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 1u85 h ASP 21 CO -0.04 0.83 -0.38 0.45 -1.61 0.00 0.00 179.24 178.49 1u85 h HIS 22 N 0.57 1.07 -0.39 0.28 3.86 -1.68 1.00 115.15 119.85 1u85 h HIS 22 Ca 0.09 -0.33 -0.02 0.00 -1.16 0.00 0.00 60.37 58.95 1u85 h HIS 22 Cb 0.64 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1u85 h HIS 22 CO 0.03 1.14 0.15 1.25 0.86 0.00 0.00 177.93 181.35 1u85 h LEU 23 N 0.69 0.54 -0.98 2.43 5.85 -0.97 -0.89 115.31 121.98 1u85 h LEU 23 Ca 0.05 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1u85 h LEU 23 Cb 0.97 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1u85 h LEU 23 CO 0.09 0.57 0.65 0.00 -0.34 0.00 0.00 178.44 179.41 1u85 h ALA 24 N 0.99 1.26 -0.03 1.25 0.00 -0.67 0.41 119.26 122.46 1u85 h ALA 24 Ca 0.13 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1u85 h ALA 24 Cb 0.20 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1u85 h ALA 24 CO -0.01 0.62 -0.30 -0.07 0.00 0.00 0.00 179.25 179.49 1u85 h LEU 25 N 1.32 0.06 0.00 0.00 4.07 -0.35 -1.75 115.31 118.66 1u85 h LEU 25 Ca 0.37 -0.02 -0.19 0.00 0.08 0.00 0.00 57.88 58.12 1u85 h LEU 25 Cb -0.13 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 1u85 h LEU 25 CO -0.09 0.36 -1.08 -0.74 -1.08 0.00 0.00 178.44 175.82 1u85 h HIS 26 N 0.05 0.00 -0.50 1.13 -0.00 0.04 -3.30 115.15 112.58 1u85 h HIS 26 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1u85 h HIS 26 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 1u85 h HIS 26 CO 0.00 0.82 0.00 0.54 -0.00 0.00 0.00 177.93 179.29 1u85 n ARG 27 N -3.19 2.68 -0.19 5.26 1.74 0.13 -3.90 116.66 119.19 1u85 n ARG 27 Ca -0.04 -2.01 -0.10 0.00 -0.77 0.00 0.00 57.85 54.93 1u85 n ARG 27 Cb 0.90 -1.60 0.01 0.00 -1.02 0.00 0.00 32.46 30.75 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 3.03 1.04 0.00 5.56 1.57 -1.42 -0.95 116.57 125.40 1u85 h LYS 28 Ca 0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1u85 h LYS 28 Cb 0.95 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1u85 h LYS 28 CO 0.10 1.07 0.00 2.89 -0.57 0.00 0.00 179.45 182.94 1u85 n ARG 29 N -4.16 0.78 -1.19 3.15 1.85 -1.25 -2.86 116.66 112.98 1u85 n ARG 29 Ca 0.02 0.01 -0.17 0.00 -1.00 0.00 0.00 57.85 56.70 1u85 n ARG 29 Cb 0.40 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.45 1u85 n ARG 29 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1u85 n HIS 30 N -1.03 2.16 0.76 2.89 8.25 -0.36 -4.53 115.22 123.35 1u85 n HIS 30 Ca 0.19 -2.03 0.09 0.00 -0.26 0.00 0.00 57.72 55.70 1u85 n HIS 30 Cb 0.10 -0.75 0.02 0.00 1.12 0.00 0.00 29.99 30.49 1u85 n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u85 n MET 31 N -1.03 1.58 -2.11 -0.41 0.00 -1.13 -4.40 117.12 109.62 1u85 n MET 31 Ca 0.46 -1.10 -0.34 0.00 0.00 0.00 0.00 57.70 56.72 1u85 n MET 31 Cb 1.08 -1.32 0.03 0.00 0.00 0.00 0.00 33.22 33.00 1u85 n MET 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1u85 n LEU 32 N 0.28 6.31 -0.14 3.17 7.94 -1.26 -5.17 117.00 128.13 1u85 n LEU 32 Ca 0.08 -4.95 0.02 0.00 -1.11 0.00 0.00 56.01 50.05 1u85 n LEU 32 Cb 0.39 -0.79 0.01 0.00 0.53 0.00 0.00 43.42 43.57 1u85 n LEU 32 CO 0.18 1.95 0.31 1.33 -1.11 0.00 0.00 177.39 180.05