#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 6.26 -4.64 1.61 3.41 -1.26 -5.00 113.62 114.00 1u85 n SER 2 Ca 0.00 -3.37 -0.43 0.00 -0.26 0.00 0.00 58.87 54.81 1u85 n SER 2 Cb 0.00 -1.31 -0.02 0.00 -0.26 0.00 0.00 64.21 62.62 1u85 n SER 2 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1u85 s THR 3 N -2.24 4.43 -0.20 6.66 2.01 -1.26 -4.89 115.64 120.16 1u85 s THR 3 Ca 0.34 1.65 0.03 0.00 0.31 0.00 0.00 61.69 64.02 1u85 s THR 3 Cb 0.07 -4.35 -0.21 0.00 0.01 0.00 0.00 72.50 68.03 1u85 s THR 3 CO 0.07 -0.45 0.02 0.61 -0.69 0.00 0.00 174.62 174.18 1u85 n GLY 4 N 3.92 -0.54 3.60 4.40 0.00 -1.26 -4.87 105.19 110.45 1u85 n GLY 4 Ca 0.13 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.53 4.03 0.27 -0.61 -1.09 -1.26 -4.73 121.20 115.28 1u85 s ILE 5 Ca -0.26 1.06 0.06 0.00 -2.23 0.00 0.00 60.65 59.28 1u85 s ILE 5 Cb 0.08 -4.34 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1u85 s ILE 5 CO 0.69 -0.82 0.32 -0.54 -1.23 0.00 0.00 174.94 173.36 1u85 s LYS 6 N 4.71 3.17 0.53 2.79 1.02 -1.26 -4.99 119.74 125.70 1u85 s LYS 6 Ca 0.56 -0.94 0.24 0.00 0.02 0.00 0.00 55.97 55.85 1u85 s LYS 6 Cb -0.12 -2.74 1.37 0.00 -0.52 0.00 0.00 37.83 35.83 1u85 s LYS 6 CO 0.31 0.34 2.02 -1.00 -0.92 0.00 0.00 175.35 176.11 1u85 h PRO 7 N 1.24 0.00 -4.84 -1.68 0.13 -1.91 -3.35 132.00 121.59 1u85 h PRO 7 Ca -0.49 -0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.96 1u85 h PRO 7 Cb 1.24 -0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.05 1u85 h PRO 7 CO 0.59 0.00 -0.72 -0.06 -0.23 0.00 0.00 178.00 177.59 1u85 s PHE 8 N -5.03 3.15 -0.01 1.56 0.40 -1.07 -5.06 117.98 111.92 1u85 s PHE 8 Ca -0.05 -1.61 0.01 0.00 -0.60 0.00 0.00 56.93 54.68 1u85 s PHE 8 Cb 0.19 -2.10 0.01 0.00 0.51 0.00 0.00 43.02 41.63 1u85 s PHE 8 CO 0.72 -0.74 -0.02 -1.14 0.70 0.00 0.00 175.22 174.74 1u85 s GLN 9 N 1.32 0.33 -0.08 0.44 2.00 -1.26 -0.12 119.66 122.29 1u85 s GLN 9 Ca -0.02 -0.06 -0.30 0.00 -2.00 0.00 0.00 55.36 52.99 1u85 s GLN 9 Cb -0.18 -0.38 -0.02 0.00 0.80 0.00 0.00 33.01 33.23 1u85 s GLN 9 CO -0.02 -0.01 1.01 0.00 -0.50 0.00 0.00 175.29 175.77 1u85 n PRO 11 N 4.80 0.61 -0.10 0.00 -0.04 -1.26 -1.26 135.00 137.76 1u85 n PRO 11 Ca 0.08 -0.18 -0.23 0.00 -0.04 0.00 0.00 63.50 63.13 1u85 n PRO 11 Cb 0.49 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.04 1.91 -0.19 3.54 -0.08 -1.26 -4.58 116.55 114.86 1u85 n ASP 12 Ca 0.14 0.37 0.04 0.00 -1.51 0.00 0.00 54.79 53.83 1u85 n ASP 12 Cb 0.27 -0.92 0.00 0.00 2.34 0.00 0.00 41.12 42.82 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 -0.24 -4.73 -4.73 0.00 2.03 -0.39 -4.98 116.55 103.51 1u85 n ASP 14 Ca 0.03 -0.17 -0.41 0.00 0.52 0.00 0.00 54.79 54.76 1u85 n ASP 14 Cb 0.17 -3.64 -0.05 0.00 -0.72 0.00 0.00 41.12 36.88 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 -2.94 3.85 -0.12 -0.67 0.52 -1.20 -4.80 118.94 113.58 1u85 s TRP 15 Ca 0.18 1.83 0.03 0.00 0.02 0.00 0.00 56.10 58.15 1u85 s TRP 15 Cb -0.08 -3.04 0.00 0.00 -1.15 0.00 0.00 33.47 29.20 1u85 s TRP 15 CO 0.22 0.26 -0.22 -1.12 0.02 0.00 0.00 176.95 176.11 1u85 s SER 16 N -0.25 3.22 -0.02 2.95 0.01 -1.26 0.78 113.70 119.13 1u85 s SER 16 Ca 0.46 -0.54 0.03 0.00 1.31 0.00 0.00 55.95 57.20 1u85 s SER 16 Cb -0.24 -1.45 -0.00 0.00 0.21 0.00 0.00 66.02 64.54 1u85 s SER 16 CO 0.30 0.14 -0.11 -0.36 0.41 0.00 0.00 173.24 173.62 1u85 s PHE 17 N 0.49 1.03 -1.30 2.43 0.40 0.83 -4.93 117.98 116.93 1u85 s PHE 17 Ca -0.14 -0.23 0.27 0.00 -0.60 0.00 0.00 56.93 56.23 1u85 s PHE 17 Cb -0.17 -0.70 0.96 0.00 0.51 0.00 0.00 43.02 43.63 1u85 s PHE 17 CO 0.05 -0.06 1.71 0.43 0.70 0.00 0.00 175.22 178.06 1u85 n SER 18 N 3.02 0.42 -4.22 1.36 7.64 -1.26 -2.60 113.62 117.98 1u85 n SER 18 Ca -0.16 -0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.19 1u85 n SER 18 Cb 0.55 -0.06 -0.16 0.00 -1.01 0.00 0.00 64.21 63.53 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 -2.77 2.16 0.22 1.43 0.52 -1.26 -4.87 118.95 114.38 1u85 s ARG 19 Ca 0.19 -0.79 -0.09 0.00 -0.52 0.00 0.00 55.73 54.53 1u85 s ARG 19 Cb 0.19 -1.88 0.18 0.00 0.52 0.00 0.00 34.95 33.95 1u85 s ARG 19 CO 0.56 0.36 1.85 0.66 0.02 0.00 0.00 175.30 178.75 1u85 h SER 20 N 6.03 1.00 0.28 0.23 4.64 -1.96 -1.23 113.55 122.54 1u85 h SER 20 Ca -0.34 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1u85 h SER 20 Cb 1.17 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1u85 h SER 20 CO 0.47 0.79 -0.24 -0.78 -0.87 0.00 0.00 176.83 176.20 1u85 h ASP 21 N 1.13 0.00 -0.22 4.97 1.82 -1.98 0.12 116.42 122.26 1u85 h ASP 21 Ca 0.29 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.78 1u85 h ASP 21 Cb -0.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1u85 h ASP 21 CO -0.05 0.24 -0.46 0.45 -1.61 0.00 0.00 179.24 177.80 1u85 h HIS 22 N 0.00 0.90 -0.28 0.28 3.86 -1.68 -0.14 115.15 118.09 1u85 h HIS 22 Ca -0.00 -0.33 -0.06 0.00 -1.16 0.00 0.00 60.37 58.82 1u85 h HIS 22 Cb 0.44 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1u85 h HIS 22 CO 0.00 1.11 -0.04 1.25 0.86 0.00 0.00 177.93 181.11 1u85 h LEU 23 N 0.42 0.52 -1.62 2.43 5.85 -0.68 -2.45 115.31 119.78 1u85 h LEU 23 Ca 0.01 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1u85 h LEU 23 Cb 1.07 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1u85 h LEU 23 CO 0.10 0.74 -0.20 0.00 -0.34 0.00 0.00 178.44 178.75 1u85 h ALA 24 N 0.79 1.65 0.00 1.25 0.00 -0.77 0.56 119.26 122.74 1u85 h ALA 24 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1u85 h ALA 24 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1u85 h ALA 24 CO 0.02 0.24 0.00 -0.07 0.00 0.00 0.00 179.25 179.45 1u85 h LEU 25 N 0.00 0.00 0.00 0.00 3.38 -0.65 -2.05 115.31 115.99 1u85 h LEU 25 Ca -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 1u85 h LEU 25 Cb 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1u85 h LEU 25 CO 0.03 0.00 -2.48 1.57 0.09 0.00 0.00 178.44 177.65 1u85 n HIS 26 N -2.90 0.05 1.88 1.13 -0.00 0.06 -4.39 115.22 111.06 1u85 n HIS 26 Ca 0.01 0.02 0.11 0.00 0.46 0.00 0.00 57.72 58.32 1u85 n HIS 26 Cb 0.30 -1.01 0.67 0.00 -0.12 0.00 0.00 29.99 29.84 1u85 n HIS 26 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1u85 n ARG 27 N -3.72 0.94 -0.30 1.57 1.74 0.17 -3.43 116.66 113.64 1u85 n ARG 27 Ca -0.49 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.56 1u85 n ARG 27 Cb 0.94 -1.37 0.12 0.00 -1.02 0.00 0.00 32.46 31.13 1u85 n ARG 27 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1u85 h LYS 28 N 0.00 1.18 0.00 5.56 2.10 -1.57 -0.64 116.57 123.20 1u85 h LYS 28 Ca 0.00 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1u85 h LYS 28 Cb 0.00 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.10 1u85 h LYS 28 CO 0.00 0.87 0.00 2.89 -2.00 0.00 0.00 179.45 181.21 1u85 n ARG 29 N -4.33 0.11 0.12 0.07 1.85 -1.22 -2.50 116.66 110.76 1u85 n ARG 29 Ca 0.09 0.12 0.05 0.00 -1.00 0.00 0.00 57.85 57.11 1u85 n ARG 29 Cb 0.10 -1.64 0.02 0.00 -1.05 0.00 0.00 32.46 29.90 1u85 n ARG 29 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1u85 h HIS 30 N 0.00 0.00 -0.64 2.89 3.86 -1.34 -3.25 115.15 116.67 1u85 h HIS 30 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1u85 h HIS 30 Cb 0.57 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 1u85 h HIS 30 CO 0.00 0.35 0.32 0.52 0.86 0.00 0.00 177.93 179.98 1u85 h MET 31 N 0.00 0.90 -1.25 2.45 2.86 -1.03 -2.65 114.93 116.21 1u85 h MET 31 Ca -0.04 -0.11 -0.64 0.00 -2.06 0.00 0.00 59.70 56.85 1u85 h MET 31 Cb 1.31 -0.17 -0.36 0.00 0.06 0.00 0.00 31.60 32.43 1u85 h MET 31 CO 0.04 0.69 0.01 1.28 1.06 0.00 0.00 176.91 179.99 1u85 n LEU 32 N -4.36 6.11 0.00 1.22 4.77 -1.23 -5.14 117.00 118.37 1u85 n LEU 32 Ca 0.06 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.27 1u85 n LEU 32 Cb 0.12 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1u85 n LEU 32 CO 0.38 1.91 0.09 0.55 -1.33 0.00 0.00 177.39 178.99