#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 5.06 -4.74 1.61 7.64 -1.26 -4.97 113.62 116.96 1u85 n SER 2 Ca 0.00 -3.02 -0.41 0.00 1.01 0.00 0.00 58.87 56.45 1u85 n SER 2 Cb 0.00 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.63 1u85 n SER 2 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1u85 s THR 3 N 1.08 4.18 -0.42 0.44 -4.23 -1.26 -4.94 115.64 110.49 1u85 s THR 3 Ca 0.43 1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 62.85 1u85 s THR 3 Cb 0.12 -4.25 -0.01 0.00 1.34 0.00 0.00 72.50 69.69 1u85 s THR 3 CO -0.03 0.37 2.95 0.61 -0.54 0.00 0.00 174.62 177.99 1u85 n GLY 4 N 1.90 4.08 3.76 3.99 0.00 -1.26 -4.94 105.19 112.72 1u85 n GLY 4 Ca 0.01 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.36 4.46 0.40 -0.61 -1.09 -1.26 -4.90 121.20 116.83 1u85 s ILE 5 Ca 0.61 1.76 0.04 0.00 -2.23 0.00 0.00 60.65 60.82 1u85 s ILE 5 Cb 0.35 -4.17 -0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1u85 s ILE 5 CO -0.16 0.45 0.58 -0.54 -1.23 0.00 0.00 174.94 174.04 1u85 s LYS 6 N -0.70 3.05 0.63 2.79 3.01 -1.26 -4.98 119.74 122.28 1u85 s LYS 6 Ca 0.38 -0.78 0.31 0.00 -1.01 0.00 0.00 55.97 54.88 1u85 s LYS 6 Cb -0.23 -2.69 1.73 0.00 -1.01 0.00 0.00 37.83 35.63 1u85 s LYS 6 CO 0.26 -0.14 2.03 -1.00 0.51 0.00 0.00 175.35 177.02 1u85 h PRO 7 N 0.62 0.00 -5.27 -1.68 0.13 -1.90 -3.38 132.00 120.52 1u85 h PRO 7 Ca -0.46 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 1u85 h PRO 7 Cb 1.26 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.06 1u85 h PRO 7 CO 0.54 0.00 -0.86 -0.06 -0.23 0.00 0.00 178.00 177.40 1u85 s PHE 8 N -4.36 2.65 -0.01 1.56 0.08 -1.04 -5.04 117.98 111.81 1u85 s PHE 8 Ca -0.04 -1.11 0.01 0.00 0.12 0.00 0.00 56.93 55.91 1u85 s PHE 8 Cb 0.12 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1u85 s PHE 8 CO 0.43 -0.47 -0.04 -1.14 -0.10 0.00 0.00 175.22 173.89 1u85 s GLN 9 N 0.56 0.41 -0.00 0.44 2.00 -1.26 -0.29 119.66 121.51 1u85 s GLN 9 Ca -0.12 -0.14 -0.30 0.00 -2.00 0.00 0.00 55.36 52.80 1u85 s GLN 9 Cb -0.17 -0.42 -0.03 0.00 0.80 0.00 0.00 33.01 33.20 1u85 s GLN 9 CO 0.04 0.06 0.98 0.00 -0.50 0.00 0.00 175.29 175.87 1u85 n PRO 11 N 3.92 1.65 -0.07 0.00 -0.04 -1.26 -2.56 135.00 136.64 1u85 n PRO 11 Ca 0.06 -0.98 -0.14 0.00 -0.04 0.00 0.00 63.50 62.39 1u85 n PRO 11 Cb 0.51 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.22 1.12 -0.30 3.54 2.03 -1.26 -4.70 116.55 117.19 1u85 n ASP 12 Ca 0.15 0.19 0.09 0.00 0.52 0.00 0.00 54.79 55.74 1u85 n ASP 12 Cb 0.29 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 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 -0.48 -4.03 -4.81 0.00 2.03 -1.06 -5.01 116.55 103.18 1u85 n ASP 14 Ca 0.07 -0.15 -0.33 0.00 0.52 0.00 0.00 54.79 54.89 1u85 n ASP 14 Cb 0.37 -2.92 -0.02 0.00 -0.72 0.00 0.00 41.12 37.83 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 -2.88 3.16 -0.05 -0.67 0.52 -1.23 -4.78 118.94 113.01 1u85 s TRP 15 Ca 0.16 1.52 0.02 0.00 0.02 0.00 0.00 56.10 57.82 1u85 s TRP 15 Cb -0.07 -2.94 0.02 0.00 -1.15 0.00 0.00 33.47 29.32 1u85 s TRP 15 CO 0.20 -0.74 -0.09 -1.12 0.02 0.00 0.00 176.95 175.22 1u85 s SER 16 N -2.64 1.41 -0.02 2.95 0.01 -1.26 0.68 113.70 114.82 1u85 s SER 16 Ca 0.63 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.71 1u85 s SER 16 Cb -0.14 -0.65 -0.01 0.00 0.21 0.00 0.00 66.02 65.44 1u85 s SER 16 CO 0.29 0.00 -0.15 -0.36 0.41 0.00 0.00 173.24 173.43 1u85 s PHE 17 N 0.71 1.44 -0.57 2.43 0.40 0.60 -4.80 117.98 118.20 1u85 s PHE 17 Ca -0.13 -0.33 0.26 0.00 -0.60 0.00 0.00 56.93 56.13 1u85 s PHE 17 Cb -0.15 -0.95 0.77 0.00 0.51 0.00 0.00 43.02 43.20 1u85 s PHE 17 CO 0.02 -0.08 1.74 0.77 0.70 0.00 0.00 175.22 178.38 1u85 h SER 18 N 5.98 0.00 -3.40 1.36 0.02 -1.94 -2.76 113.55 112.81 1u85 h SER 18 Ca -0.34 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.93 1u85 h SER 18 Cb 1.16 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.37 1u85 h SER 18 CO 0.48 0.00 -0.88 -0.13 -1.14 0.00 0.00 176.83 175.17 1u85 s ARG 19 N -3.20 2.95 0.34 3.45 0.52 -1.26 -4.86 118.95 116.90 1u85 s ARG 19 Ca 0.08 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1u85 s ARG 19 Cb 0.10 -2.25 0.61 0.00 0.52 0.00 0.00 34.95 33.93 1u85 s ARG 19 CO 0.58 0.19 1.96 0.66 0.02 0.00 0.00 175.30 178.71 1u85 h SER 20 N 6.66 0.67 -0.60 0.23 4.64 -1.97 -0.33 113.55 122.85 1u85 h SER 20 Ca -0.21 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1u85 h SER 20 Cb 1.23 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 1u85 h SER 20 CO 0.47 0.56 0.12 -0.78 -0.87 0.00 0.00 176.83 176.33 1u85 h ASP 21 N 0.75 0.96 0.00 4.97 3.58 -1.98 0.20 116.42 124.90 1u85 h ASP 21 Ca 0.19 -0.21 -0.17 0.00 0.42 0.00 0.00 57.03 57.26 1u85 h ASP 21 Cb 0.06 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 1u85 h ASP 21 CO -0.03 0.95 -0.59 0.45 -2.88 0.00 0.00 179.24 177.14 1u85 h HIS 22 N 0.96 0.76 -0.50 0.28 3.86 -1.73 -0.85 115.15 117.93 1u85 h HIS 22 Ca 0.20 -0.28 -0.06 0.00 -1.16 0.00 0.00 60.37 59.06 1u85 h HIS 22 Cb 0.39 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1u85 h HIS 22 CO 0.03 1.04 0.06 1.25 0.86 0.00 0.00 177.93 181.17 1u85 h LEU 23 N 0.45 0.80 -1.37 2.43 5.85 -0.69 -1.67 115.31 121.12 1u85 h LEU 23 Ca -0.00 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1u85 h LEU 23 Cb 1.16 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1u85 h LEU 23 CO 0.11 0.87 -0.05 0.00 -0.34 0.00 0.00 178.44 179.03 1u85 h ALA 24 N 0.96 1.48 0.00 1.25 0.00 -0.47 0.32 119.26 122.81 1u85 h ALA 24 Ca 0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1u85 h ALA 24 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1u85 h ALA 24 CO 0.01 0.37 -0.26 1.25 0.00 0.00 0.00 179.25 180.63 1u85 h LEU 25 N 0.34 0.00 0.03 0.00 5.85 -0.59 -2.86 115.31 118.08 1u85 h LEU 25 Ca 0.07 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.48 1u85 h LEU 25 Cb 0.32 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1u85 h LEU 25 CO 0.01 0.26 -1.82 1.57 -0.34 0.00 0.00 178.44 178.12 1u85 n HIS 26 N -3.63 1.01 0.07 1.25 -0.00 -0.34 -4.14 115.22 109.44 1u85 n HIS 26 Ca -0.01 0.32 0.04 0.00 0.46 0.00 0.00 57.72 58.53 1u85 n HIS 26 Cb 0.38 -1.17 0.21 0.00 -0.12 0.00 0.00 29.99 29.29 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 -3.14 2.95 -0.08 1.57 1.74 0.98 -3.99 116.66 116.69 1u85 n ARG 27 Ca -0.22 -1.61 -0.11 0.00 -0.77 0.00 0.00 57.85 55.14 1u85 n ARG 27 Cb 1.06 -1.86 -0.04 0.00 -1.02 0.00 0.00 32.46 30.59 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 2.07 0.40 0.00 5.56 1.57 -1.67 -0.62 116.57 123.88 1u85 h LYS 28 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1u85 h LYS 28 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1u85 h LYS 28 CO 0.24 0.55 0.00 2.89 -0.57 0.00 0.00 179.45 182.56 1u85 n ARG 29 N -4.68 0.79 0.00 3.15 1.85 -1.26 -1.68 116.66 114.83 1u85 n ARG 29 Ca -0.04 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.85 1u85 n ARG 29 Cb 0.22 -1.21 0.01 0.00 -1.05 0.00 0.00 32.46 30.43 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 -0.71 0.00 -0.42 2.89 8.25 -0.37 -4.54 115.22 120.32 1u85 n HIS 30 Ca 0.08 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 1u85 n HIS 30 Cb 0.04 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.41 1u85 n HIS 30 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1u85 n MET 31 N -0.02 3.05 -1.73 -0.41 2.81 -0.44 -4.58 117.12 115.81 1u85 n MET 31 Ca 0.04 -2.51 -0.33 0.00 -1.81 0.00 0.00 57.70 53.08 1u85 n MET 31 Cb 0.17 -1.56 -0.01 0.00 -0.71 0.00 0.00 33.22 31.10 1u85 n MET 31 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u85 n LEU 32 N 0.87 7.01 -0.14 4.03 4.77 -1.25 -5.09 117.00 127.20 1u85 n LEU 32 Ca 0.20 -4.47 0.02 0.00 -0.03 0.00 0.00 56.01 51.73 1u85 n LEU 32 Cb 0.64 -1.16 0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1u85 n LEU 32 CO 0.15 1.76 0.30 0.52 -1.33 0.00 0.00 177.39 178.80