#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 6.33 0.15 1.61 0.01 -1.26 -4.99 113.70 115.54 1u85 s SER 2 Ca 0.00 -1.02 -0.30 0.00 1.31 0.00 0.00 55.95 55.94 1u85 s SER 2 Cb 0.00 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.63 1u85 s SER 2 CO 0.00 -1.60 0.97 -0.89 0.41 0.00 0.00 173.24 172.13 1u85 s THR 3 N 4.98 4.33 -0.22 1.44 2.01 -1.26 -4.96 115.64 121.97 1u85 s THR 3 Ca 0.37 2.04 -0.10 0.00 0.31 0.00 0.00 61.69 64.30 1u85 s THR 3 Cb -0.06 -4.30 -0.18 0.00 0.01 0.00 0.00 72.50 67.97 1u85 s THR 3 CO 0.03 0.36 -0.02 0.61 -0.69 0.00 0.00 174.62 174.91 1u85 n GLY 4 N 2.04 -0.55 3.73 4.40 0.00 -1.26 -4.86 105.19 108.68 1u85 n GLY 4 Ca 0.01 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.49 5.17 0.28 -0.61 -1.09 -1.26 -4.71 121.20 116.48 1u85 s ILE 5 Ca -0.32 0.94 0.11 0.00 -2.23 0.00 0.00 60.65 59.16 1u85 s ILE 5 Cb 0.09 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1u85 s ILE 5 CO 0.61 0.35 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.98 1u85 s LYS 6 N 0.46 1.86 0.50 2.79 1.02 -1.26 -5.01 119.74 120.10 1u85 s LYS 6 Ca 0.26 -1.67 0.29 0.00 0.02 0.00 0.00 55.97 54.87 1u85 s LYS 6 Cb -0.15 -1.88 1.60 0.00 -0.52 0.00 0.00 37.83 36.87 1u85 s LYS 6 CO 0.11 0.34 1.88 -1.00 -0.92 0.00 0.00 175.35 175.76 1u85 h PRO 7 N 2.16 0.00 -4.45 -1.68 0.13 -1.91 -3.35 132.00 122.90 1u85 h PRO 7 Ca -0.41 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.10 1u85 h PRO 7 Cb 1.26 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.01 1u85 h PRO 7 CO 0.60 0.00 -0.79 -0.06 -0.23 0.00 0.00 178.00 177.52 1u85 s PHE 8 N -3.82 2.50 -0.03 1.56 0.08 -1.03 -5.05 117.98 112.18 1u85 s PHE 8 Ca -0.03 -1.79 0.03 0.00 0.12 0.00 0.00 56.93 55.26 1u85 s PHE 8 Cb 0.08 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 1u85 s PHE 8 CO 0.27 -0.78 -0.12 -1.14 -0.10 0.00 0.00 175.22 173.35 1u85 s GLN 9 N 1.36 1.27 -0.02 0.44 2.00 -1.26 0.18 119.66 123.62 1u85 s GLN 9 Ca -0.05 -0.41 -0.30 0.00 -2.00 0.00 0.00 55.36 52.60 1u85 s GLN 9 Cb -0.18 -1.14 -0.03 0.00 0.80 0.00 0.00 33.01 32.46 1u85 s GLN 9 CO -0.06 0.15 1.06 0.00 -0.50 0.00 0.00 175.29 175.93 1u85 n PRO 11 N 4.37 1.30 -0.11 0.00 -0.04 -1.26 -1.50 135.00 137.76 1u85 n PRO 11 Ca 0.08 -0.44 -0.18 0.00 -0.04 0.00 0.00 63.50 62.92 1u85 n PRO 11 Cb 0.49 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.41 2.08 -0.02 3.54 2.03 -1.26 -4.71 116.55 117.79 1u85 n ASP 12 Ca 0.18 0.03 0.03 0.00 0.52 0.00 0.00 54.79 55.55 1u85 n ASP 12 Cb 0.20 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.03 -3.75 -4.75 0.00 2.03 -0.56 -5.00 116.55 103.49 1u85 n ASP 14 Ca 0.01 -0.10 -0.40 0.00 0.52 0.00 0.00 54.79 54.83 1u85 n ASP 14 Cb 0.11 -2.78 -0.06 0.00 -0.72 0.00 0.00 41.12 37.68 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 -2.74 3.92 -0.09 -0.67 0.52 -1.23 -4.78 118.94 113.87 1u85 s TRP 15 Ca 0.10 1.88 0.04 0.00 0.02 0.00 0.00 56.10 58.13 1u85 s TRP 15 Cb -0.04 -3.02 -0.01 0.00 -1.15 0.00 0.00 33.47 29.25 1u85 s TRP 15 CO 0.12 0.33 -0.22 -1.12 0.02 0.00 0.00 176.95 176.08 1u85 s SER 16 N -0.88 3.29 -0.01 2.95 0.01 -1.26 0.78 113.70 118.58 1u85 s SER 16 Ca 0.43 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.23 1u85 s SER 16 Cb -0.26 -1.29 -0.00 0.00 0.21 0.00 0.00 66.02 64.68 1u85 s SER 16 CO 0.32 0.19 -0.10 -0.36 0.41 0.00 0.00 173.24 173.70 1u85 s PHE 17 N 0.18 0.97 -0.88 2.43 0.40 0.13 -4.89 117.98 116.31 1u85 s PHE 17 Ca -0.13 -0.20 0.27 0.00 -0.60 0.00 0.00 56.93 56.27 1u85 s PHE 17 Cb -0.16 -0.64 0.90 0.00 0.51 0.00 0.00 43.02 43.62 1u85 s PHE 17 CO 0.07 -0.04 1.73 0.43 0.70 0.00 0.00 175.22 178.11 1u85 n SER 18 N 2.96 0.39 -4.25 1.36 7.64 -1.26 -2.46 113.62 118.00 1u85 n SER 18 Ca -0.15 0.36 -0.32 0.00 1.01 0.00 0.00 58.87 59.77 1u85 n SER 18 Cb 0.56 -0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 63.20 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 -3.05 2.74 0.31 1.43 0.52 -1.26 -4.87 118.95 114.76 1u85 s ARG 19 Ca 0.12 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1u85 s ARG 19 Cb 0.16 -2.22 0.49 0.00 0.52 0.00 0.00 34.95 33.91 1u85 s ARG 19 CO 0.60 0.31 1.89 0.66 0.02 0.00 0.00 175.30 178.77 1u85 h SER 20 N 6.30 0.73 -0.45 0.23 4.64 -1.96 -1.03 113.55 122.00 1u85 h SER 20 Ca -0.27 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 60.88 1u85 h SER 20 Cb 1.20 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 1u85 h SER 20 CO 0.47 0.67 0.03 -0.78 -0.87 0.00 0.00 176.83 176.35 1u85 h ASP 21 N 0.79 0.81 -0.44 4.97 3.58 -1.98 0.10 116.42 124.25 1u85 h ASP 21 Ca 0.19 -0.19 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1u85 h ASP 21 Cb 0.17 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1u85 h ASP 21 CO -0.02 0.85 -0.23 0.45 -2.88 0.00 0.00 179.24 177.42 1u85 h HIS 22 N 0.79 1.07 -0.40 0.28 3.86 -1.74 0.24 115.15 119.26 1u85 h HIS 22 Ca 0.16 -0.27 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 1u85 h HIS 22 Cb 0.43 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1u85 h HIS 22 CO 0.02 1.07 0.10 1.25 0.86 0.00 0.00 177.93 181.24 1u85 h LEU 23 N 0.76 0.60 -1.15 2.43 5.85 -0.89 -1.71 115.31 121.19 1u85 h LEU 23 Ca 0.09 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1u85 h LEU 23 Cb 0.80 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1u85 h LEU 23 CO 0.07 0.67 -0.13 0.00 -0.34 0.00 0.00 178.44 178.70 1u85 h ALA 24 N 0.95 1.29 0.00 1.25 0.00 -0.60 0.44 119.26 122.59 1u85 h ALA 24 Ca 0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1u85 h ALA 24 Cb 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u85 h ALA 24 CO 0.00 0.47 -0.12 1.25 0.00 0.00 0.00 179.25 180.85 1u85 h LEU 25 N 0.41 0.00 0.05 0.00 5.85 -0.10 -1.37 115.31 120.15 1u85 h LEU 25 Ca 0.08 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.46 1u85 h LEU 25 Cb 0.48 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1u85 h LEU 25 CO 0.03 0.12 -1.88 1.57 -0.34 0.00 0.00 178.44 177.94 1u85 n HIS 26 N -3.42 0.86 1.12 1.25 -0.00 -0.47 -4.31 115.22 110.26 1u85 n HIS 26 Ca -0.01 0.26 0.13 0.00 0.46 0.00 0.00 57.72 58.55 1u85 n HIS 26 Cb 0.30 -1.10 0.62 0.00 -0.12 0.00 0.00 29.99 29.69 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 -3.87 0.26 0.06 1.57 1.74 0.14 -3.29 116.66 113.27 1u85 n ARG 27 Ca -0.37 0.05 0.02 0.00 -0.77 0.00 0.00 57.85 56.78 1u85 n ARG 27 Cb 0.90 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 31.22 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 0.40 0.00 5.56 5.09 -1.43 0.12 116.57 126.31 1u85 h LYS 28 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.67 1u85 h LYS 28 Cb 0.30 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 32.56 1u85 h LYS 28 CO 0.00 0.41 0.00 2.89 -2.09 0.00 0.00 179.45 180.66 1u85 n ARG 29 N -4.34 0.48 0.03 0.07 1.85 -1.21 -0.09 116.66 113.45 1u85 n ARG 29 Ca 0.01 0.02 0.11 0.00 -1.00 0.00 0.00 57.85 56.99 1u85 n ARG 29 Cb 0.20 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.19 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 -1.24 0.29 -0.11 2.89 8.25 0.01 -3.98 115.22 121.32 1u85 n HIS 30 Ca 0.15 0.08 -0.14 0.00 -0.26 0.00 0.00 57.72 57.55 1u85 n HIS 30 Cb 0.21 -0.44 -0.12 0.00 1.12 0.00 0.00 29.99 30.75 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 -1.92 0.74 -3.32 -0.41 2.81 -0.79 -5.02 117.12 109.21 1u85 n MET 31 Ca 0.03 0.08 -0.16 0.00 -1.81 0.00 0.00 57.70 55.84 1u85 n MET 31 Cb 0.42 -1.46 0.08 0.00 -0.71 0.00 0.00 33.22 31.55 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 -3.00 -3.74 -0.22 4.03 4.77 0.87 -5.12 117.00 114.59 1u85 n LEU 32 Ca -0.37 -0.55 0.03 0.00 -0.03 0.00 0.00 56.01 55.09 1u85 n LEU 32 Cb 0.99 -2.85 0.02 0.00 -2.33 0.00 0.00 43.42 39.24 1u85 n LEU 32 CO 0.28 0.38 0.34 1.33 -1.33 0.00 0.00 177.39 178.39