#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u85 h SER 2 N 0.00 0.00 -0.51 1.61 0.02 -2.03 -2.05 113.55 110.59 1u85 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1u85 h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1u85 h SER 2 CO 0.00 0.25 0.00 0.41 -1.14 0.00 0.00 176.83 176.35 1u85 n THR 3 N -3.65 0.67 -2.75 -2.27 -1.04 -1.26 -4.31 114.28 99.67 1u85 n THR 3 Ca -0.01 -0.71 -0.22 0.00 -2.04 0.00 0.00 64.05 61.07 1u85 n THR 3 Cb 0.37 0.43 -0.01 0.00 -1.82 0.00 0.00 70.33 69.30 1u85 n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u85 n GLY 4 N 1.37 4.62 3.73 3.41 0.00 -0.77 -5.07 105.19 112.48 1u85 n GLY 4 Ca 0.18 -2.31 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 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 -4.28 4.46 0.25 -0.61 -1.09 -1.26 -4.62 121.20 114.05 1u85 s ILE 5 Ca 0.43 2.07 0.07 0.00 -2.23 0.00 0.00 60.65 60.99 1u85 s ILE 5 Cb 0.37 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1u85 s ILE 5 CO -0.11 0.34 0.21 -0.54 -1.23 0.00 0.00 174.94 173.61 1u85 s LYS 6 N -0.12 2.98 0.60 2.79 1.02 -1.26 -5.00 119.74 120.75 1u85 s LYS 6 Ca 0.46 -1.02 0.40 0.00 0.02 0.00 0.00 55.97 55.83 1u85 s LYS 6 Cb -0.24 -2.60 2.15 0.00 -0.52 0.00 0.00 37.83 36.63 1u85 s LYS 6 CO 0.30 0.40 2.21 -1.00 -0.92 0.00 0.00 175.35 176.35 1u85 h PRO 7 N 1.46 0.00 -4.68 -1.68 0.13 -1.90 -3.34 132.00 121.98 1u85 h PRO 7 Ca -0.49 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.98 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 0.61 0.00 -0.71 -0.06 -0.23 0.00 0.00 178.00 177.61 1u85 s PHE 8 N -4.03 3.76 -0.03 1.56 0.08 -1.06 -5.04 117.98 113.21 1u85 s PHE 8 Ca -0.04 -2.97 0.03 0.00 0.12 0.00 0.00 56.93 54.06 1u85 s PHE 8 Cb 0.11 -2.94 -0.03 0.00 -0.57 0.00 0.00 43.02 39.60 1u85 s PHE 8 CO 0.36 -0.95 -0.10 -0.65 -0.10 0.00 0.00 175.22 173.78 1u85 s GLN 9 N 0.91 2.55 -0.01 0.44 -0.21 -1.26 0.18 119.66 122.28 1u85 s GLN 9 Ca 0.11 -0.68 -0.27 0.00 0.02 0.00 0.00 55.36 54.53 1u85 s GLN 9 Cb -0.19 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.32 1u85 s GLN 9 CO -0.08 0.62 0.86 0.00 -2.12 0.00 0.00 175.29 174.57 1u85 n PRO 11 N 3.61 1.54 -0.08 0.00 -0.04 -1.26 -2.38 135.00 136.40 1u85 n PRO 11 Ca 0.02 -0.81 -0.14 0.00 -0.04 0.00 0.00 63.50 62.53 1u85 n PRO 11 Cb 0.51 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.03 1.55 -0.29 3.54 -0.08 -1.26 -4.70 116.55 115.34 1u85 n ASP 12 Ca 0.16 0.26 0.10 0.00 -1.51 0.00 0.00 54.79 53.80 1u85 n ASP 12 Cb 0.27 -0.61 -0.05 0.00 2.34 0.00 0.00 41.12 43.07 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 -0.61 -4.02 -4.79 0.00 2.03 -1.00 -4.99 116.55 103.16 1u85 n ASP 14 Ca 0.07 -0.06 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1u85 n ASP 14 Cb 0.40 -3.12 0.01 0.00 -0.72 0.00 0.00 41.12 37.70 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 -2.71 2.87 -0.04 -0.67 0.52 -1.23 -4.76 118.94 112.91 1u85 s TRP 15 Ca 0.06 1.53 0.01 0.00 0.02 0.00 0.00 56.10 57.72 1u85 s TRP 15 Cb -0.03 -3.08 0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1u85 s TRP 15 CO 0.07 -1.26 -0.04 -1.12 0.02 0.00 0.00 176.95 174.62 1u85 s SER 16 N -2.52 0.96 -0.02 2.95 0.01 -1.26 0.64 113.70 114.46 1u85 s SER 16 Ca 0.66 -0.13 0.05 0.00 1.31 0.00 0.00 55.95 57.84 1u85 s SER 16 Cb -0.18 -0.45 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 1u85 s SER 16 CO 0.35 -0.06 -0.17 -0.36 0.41 0.00 0.00 173.24 173.41 1u85 s PHE 17 N 0.94 1.51 -0.65 2.43 0.40 0.13 -4.84 117.98 117.89 1u85 s PHE 17 Ca -0.11 -0.30 0.25 0.00 -0.60 0.00 0.00 56.93 56.17 1u85 s PHE 17 Cb -0.14 -0.98 0.60 0.00 0.51 0.00 0.00 43.02 43.00 1u85 s PHE 17 CO -0.00 -0.04 1.61 0.66 0.70 0.00 0.00 175.22 178.15 1u85 h SER 18 N 5.79 0.00 -3.57 1.36 4.64 -1.94 -2.82 113.55 117.01 1u85 h SER 18 Ca -0.36 -0.05 -0.67 0.00 -0.47 0.00 0.00 61.79 60.23 1u85 h SER 18 Cb 1.15 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.95 1u85 h SER 18 CO 0.48 0.03 -0.82 -0.13 -0.87 0.00 0.00 176.83 175.52 1u85 s ARG 19 N -3.14 3.00 0.29 4.77 1.81 -1.26 -4.88 118.95 119.54 1u85 s ARG 19 Ca 0.09 -0.79 -0.02 0.00 -1.72 0.00 0.00 55.73 53.29 1u85 s ARG 19 Cb 0.12 -2.40 0.43 0.00 -0.45 0.00 0.00 34.95 32.64 1u85 s ARG 19 CO 0.65 0.30 1.90 0.66 -0.68 0.00 0.00 175.30 178.13 1u85 h SER 20 N 6.38 0.87 -0.91 0.23 4.64 -1.96 -1.06 113.55 121.74 1u85 h SER 20 Ca -0.28 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 1u85 h SER 20 Cb 1.20 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 1u85 h SER 20 CO 0.51 0.72 0.52 -0.78 -0.87 0.00 0.00 176.83 176.93 1u85 h ASP 21 N 0.97 1.12 -0.40 4.97 3.58 -1.98 0.25 116.42 124.93 1u85 h ASP 21 Ca 0.24 -0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 1u85 h ASP 21 Cb 0.06 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 1u85 h ASP 21 CO -0.04 0.88 -0.25 0.45 -2.88 0.00 0.00 179.24 177.41 1u85 h HIS 22 N 1.27 1.02 -0.53 0.28 3.86 -1.74 0.17 115.15 119.47 1u85 h HIS 22 Ca 0.32 -0.27 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1u85 h HIS 22 Cb -0.01 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1u85 h HIS 22 CO 0.01 1.06 0.01 1.25 0.86 0.00 0.00 177.93 181.12 1u85 h LEU 23 N 0.69 0.91 -0.94 2.43 5.85 -0.78 -1.56 115.31 121.91 1u85 h LEU 23 Ca 0.08 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1u85 h LEU 23 Cb 0.82 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1u85 h LEU 23 CO 0.07 0.99 0.01 0.00 -0.34 0.00 0.00 178.44 179.17 1u85 h ALA 24 N 0.95 1.12 0.00 1.25 0.00 -0.31 0.51 119.26 122.78 1u85 h ALA 24 Ca 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1u85 h ALA 24 Cb 0.52 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1u85 h ALA 24 CO 0.03 0.57 -0.12 -0.07 0.00 0.00 0.00 179.25 179.65 1u85 h LEU 25 N 0.74 0.00 0.14 0.00 3.38 -0.29 0.10 115.31 119.38 1u85 h LEU 25 Ca 0.15 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 1u85 h LEU 25 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1u85 h LEU 25 CO 0.02 0.12 -1.80 -0.74 0.09 0.00 0.00 178.44 176.13 1u85 h HIS 26 N 0.00 0.52 -0.01 1.13 2.76 -0.19 -3.37 115.15 115.99 1u85 h HIS 26 Ca -0.00 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1u85 h HIS 26 Cb 0.22 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1u85 h HIS 26 CO 0.00 1.61 -0.26 0.54 -1.30 0.00 0.00 177.93 178.52 1u85 n ARG 27 N -3.48 0.72 0.16 5.26 1.74 0.17 -3.66 116.66 117.56 1u85 n ARG 27 Ca -0.25 -0.40 0.02 0.00 -0.77 0.00 0.00 57.85 56.45 1u85 n ARG 27 Cb 1.06 -1.49 0.22 0.00 -1.02 0.00 0.00 32.46 31.23 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 0.97 0.00 -0.14 5.56 2.10 -1.15 -1.52 116.57 122.38 1u85 h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1u85 h LYS 28 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1u85 h LYS 28 CO 0.00 0.51 0.00 2.89 -2.00 0.00 0.00 179.45 180.85 1u85 n ARG 29 N -3.60 1.45 -0.11 0.07 1.85 -1.24 -2.83 116.66 112.24 1u85 n ARG 29 Ca -0.00 -0.68 0.11 0.00 -1.00 0.00 0.00 57.85 56.27 1u85 n ARG 29 Cb 0.59 -1.27 0.16 0.00 -1.05 0.00 0.00 32.46 30.89 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 -0.04 0.30 1.12 2.89 8.25 -0.57 -4.23 115.22 122.93 1u85 n HIS 30 Ca 0.12 -0.16 0.14 0.00 -0.26 0.00 0.00 57.72 57.55 1u85 n HIS 30 Cb 0.20 -0.00 0.61 0.00 1.12 0.00 0.00 29.99 31.92 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 1.30 0.14 -3.29 -0.41 2.81 -1.13 -4.92 117.12 111.63 1u85 n MET 31 Ca 0.16 -0.02 -0.17 0.00 -1.81 0.00 0.00 57.70 55.86 1u85 n MET 31 Cb 0.56 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.64 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 -1.41 -3.33 0.00 4.03 7.99 -1.26 -5.18 117.00 117.85 1u85 n LEU 32 Ca 0.09 -0.46 0.00 0.00 -0.01 0.00 0.00 56.01 55.63 1u85 n LEU 32 Cb 0.31 -2.56 0.00 0.00 -0.11 0.00 0.00 43.42 41.06 1u85 n LEU 32 CO 0.27 0.44 0.00 0.55 -1.51 0.00 0.00 177.39 177.14