#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 -5.85 -0.23 1.61 7.64 -1.26 -4.85 113.62 110.68 1u85 n SER 2 Ca 0.00 -0.34 0.04 0.00 1.01 0.00 0.00 58.87 59.59 1u85 n SER 2 Cb 0.00 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.49 1u85 n SER 2 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1u85 n THR 3 N -4.51 0.00 -0.06 0.44 -2.24 -1.26 -4.48 114.28 102.16 1u85 n THR 3 Ca -0.09 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.07 1u85 n THR 3 Cb 0.60 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.83 1u85 n THR 3 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1u85 h GLY 4 N 1.94 0.09 -3.57 3.38 0.00 -2.01 -3.45 103.07 99.44 1u85 h GLY 4 Ca 0.00 -0.22 -0.51 0.00 0.00 0.00 0.00 47.33 46.60 1u85 h GLY 4 CO 0.00 0.20 0.50 -0.42 0.00 0.00 0.00 176.54 176.82 1u85 s ILE 5 N -2.37 3.30 0.19 2.60 -1.09 -1.26 -4.70 121.20 117.87 1u85 s ILE 5 Ca -0.24 1.23 0.04 0.00 -2.23 0.00 0.00 60.65 59.45 1u85 s ILE 5 Cb 0.04 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1u85 s ILE 5 CO 0.66 0.23 -0.06 -0.54 -1.23 0.00 0.00 174.94 174.01 1u85 s LYS 6 N -1.79 1.23 0.28 2.79 3.01 -1.26 -4.98 119.74 119.02 1u85 s LYS 6 Ca 0.49 -1.58 0.18 0.00 -1.01 0.00 0.00 55.97 54.05 1u85 s LYS 6 Cb -0.32 -0.68 0.98 0.00 -1.01 0.00 0.00 37.83 36.80 1u85 s LYS 6 CO 0.41 0.00 1.54 -0.35 0.51 0.00 0.00 175.35 177.47 1u85 n PRO 7 N -0.33 0.12 -3.99 -1.68 -0.04 -1.26 -4.04 135.00 123.78 1u85 n PRO 7 Ca -0.07 0.61 -0.31 0.00 -0.04 0.00 0.00 63.50 63.69 1u85 n PRO 7 Cb 0.62 -1.91 -0.15 0.00 -0.04 0.00 0.00 33.50 32.02 1u85 n PRO 7 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1u85 s PHE 8 N -3.46 2.85 -0.02 0.54 0.08 -1.05 -5.04 117.98 111.88 1u85 s PHE 8 Ca -0.02 -2.11 0.06 0.00 0.12 0.00 0.00 56.93 54.99 1u85 s PHE 8 Cb 0.05 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1u85 s PHE 8 CO 0.16 -0.84 -0.21 -0.65 -0.10 0.00 0.00 175.22 173.59 1u85 s GLN 9 N 1.24 1.72 -0.19 0.44 -0.21 -1.26 0.34 119.66 121.75 1u85 s GLN 9 Ca -0.05 -0.74 -0.27 0.00 0.02 0.00 0.00 55.36 54.33 1u85 s GLN 9 Cb -0.19 -1.64 -0.01 0.00 1.00 0.00 0.00 33.01 32.17 1u85 s GLN 9 CO -0.07 0.43 0.90 0.00 -2.12 0.00 0.00 175.29 174.44 1u85 n PRO 11 N 5.56 0.93 -0.11 0.00 -0.04 -1.26 -1.26 135.00 138.81 1u85 n PRO 11 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 1u85 n PRO 11 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.01 1.94 -0.24 3.54 2.03 -1.26 -4.66 116.55 116.89 1u85 n ASP 12 Ca 0.22 0.36 0.09 0.00 0.52 0.00 0.00 54.79 55.98 1u85 n ASP 12 Cb 0.11 -0.80 -0.05 0.00 -0.72 0.00 0.00 41.12 39.66 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 -0.68 -3.35 -4.79 0.00 2.03 -0.39 -5.00 116.55 104.37 1u85 n ASP 14 Ca 0.06 0.02 -0.33 0.00 0.52 0.00 0.00 54.79 55.06 1u85 n ASP 14 Cb 0.36 -2.50 0.01 0.00 -0.72 0.00 0.00 41.12 38.27 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 -2.46 2.87 -0.05 -0.67 0.52 -1.20 -4.76 118.94 113.20 1u85 s TRP 15 Ca 0.00 1.53 0.01 0.00 0.02 0.00 0.00 56.10 57.66 1u85 s TRP 15 Cb 0.00 -3.09 0.02 0.00 -1.15 0.00 0.00 33.47 29.25 1u85 s TRP 15 CO 0.00 -1.25 -0.04 -1.12 0.02 0.00 0.00 176.95 174.56 1u85 s SER 16 N -2.46 1.04 -0.01 2.95 0.01 -1.26 0.49 113.70 114.45 1u85 s SER 16 Ca 0.66 -0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.85 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 0.34 -0.07 -0.16 -0.36 0.41 0.00 0.00 173.24 173.39 1u85 s PHE 17 N 1.07 1.43 -0.77 2.43 0.40 0.15 -4.82 117.98 117.88 1u85 s PHE 17 Ca -0.09 -0.27 0.26 0.00 -0.60 0.00 0.00 56.93 56.23 1u85 s PHE 17 Cb -0.14 -0.92 0.66 0.00 0.51 0.00 0.00 43.02 43.13 1u85 s PHE 17 CO -0.01 -0.02 1.59 0.43 0.70 0.00 0.00 175.22 177.91 1u85 n SER 18 N 2.65 0.62 -4.35 1.36 7.64 -1.26 -2.52 113.62 117.76 1u85 n SER 18 Ca -0.15 0.30 -0.33 0.00 1.01 0.00 0.00 58.87 59.71 1u85 n SER 18 Cb 0.54 -0.27 -0.15 0.00 -1.01 0.00 0.00 64.21 63.32 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 -3.10 3.12 0.26 1.43 0.52 -1.26 -4.88 118.95 115.04 1u85 s ARG 19 Ca 0.09 -0.75 -0.05 0.00 -0.52 0.00 0.00 55.73 54.51 1u85 s ARG 19 Cb 0.14 -2.49 0.30 0.00 0.52 0.00 0.00 34.95 33.43 1u85 s ARG 19 CO 0.65 0.28 1.92 0.66 0.02 0.00 0.00 175.30 178.82 1u85 h SER 20 N 6.46 1.08 0.03 0.23 4.64 -1.97 -1.08 113.55 122.95 1u85 h SER 20 Ca -0.28 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 1u85 h SER 20 Cb 1.21 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1u85 h SER 20 CO 0.52 0.81 -0.17 -0.78 -0.87 0.00 0.00 176.83 176.34 1u85 h ASP 21 N 1.26 0.26 -0.14 4.97 3.58 -1.98 0.53 116.42 124.90 1u85 h ASP 21 Ca 0.33 -0.06 -0.22 0.00 0.42 0.00 0.00 57.03 57.50 1u85 h ASP 21 Cb -0.09 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 40.90 1u85 h ASP 21 CO -0.07 0.46 -0.76 0.45 -2.88 0.00 0.00 179.24 176.44 1u85 h HIS 22 N 0.25 1.05 -0.42 0.28 3.86 -1.68 -0.23 115.15 118.26 1u85 h HIS 22 Ca 0.05 -0.46 -0.05 0.00 -1.16 0.00 0.00 60.37 58.75 1u85 h HIS 22 Cb 0.46 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1u85 h HIS 22 CO 0.01 1.29 0.07 1.25 0.86 0.00 0.00 177.93 181.40 1u85 h LEU 23 N 0.54 0.67 -1.17 2.43 5.85 -0.86 -2.04 115.31 120.73 1u85 h LEU 23 Ca -0.05 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 1u85 h LEU 23 Cb 1.38 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1u85 h LEU 23 CO 0.16 0.76 -0.03 0.00 -0.34 0.00 0.00 178.44 178.99 1u85 h ALA 24 N 0.94 1.32 0.00 1.25 0.00 -0.85 0.49 119.26 122.41 1u85 h ALA 24 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1u85 h ALA 24 Cb 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1u85 h ALA 24 CO 0.01 0.46 -0.12 -0.07 0.00 0.00 0.00 179.25 179.53 1u85 h LEU 25 N 0.51 0.00 0.07 0.00 3.38 -0.63 -0.62 115.31 118.02 1u85 h LEU 25 Ca 0.11 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.71 1u85 h LEU 25 Cb 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1u85 h LEU 25 CO 0.01 0.12 -2.14 1.57 0.09 0.00 0.00 178.44 178.10 1u85 n HIS 26 N -3.61 0.79 1.14 1.13 -0.00 -0.26 -4.34 115.22 110.07 1u85 n HIS 26 Ca -0.02 0.18 0.13 0.00 0.46 0.00 0.00 57.72 58.48 1u85 n HIS 26 Cb 0.25 -1.11 0.48 0.00 -0.12 0.00 0.00 29.99 29.49 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 -3.34 0.25 0.12 1.57 1.74 0.16 -3.66 116.66 113.49 1u85 n ARG 27 Ca -0.35 -0.09 0.02 0.00 -0.77 0.00 0.00 57.85 56.65 1u85 n ARG 27 Cb 1.04 -1.50 0.36 0.00 -1.02 0.00 0.00 32.46 31.33 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 0.23 0.23 0.00 5.56 2.10 -1.31 -0.49 116.57 122.89 1u85 h LYS 28 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1u85 h LYS 28 Cb 0.46 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1u85 h LYS 28 CO 0.00 0.42 0.00 0.07 -2.00 0.00 0.00 179.45 177.94 1u85 h ARG 29 N 0.21 0.00 0.00 0.07 0.11 -1.81 0.29 114.38 113.25 1u85 h ARG 29 Ca 0.04 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.88 1u85 h ARG 29 Cb 0.47 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.51 1u85 h ARG 29 CO 0.03 0.00 -1.45 0.45 0.10 0.00 0.00 179.97 179.10 1u85 h HIS 30 N 0.00 0.00 0.02 4.08 3.86 -1.33 -3.24 115.15 118.55 1u85 h HIS 30 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1u85 h HIS 30 Cb 0.62 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.09 1u85 h HIS 30 CO 0.00 0.88 -0.27 0.52 0.86 0.00 0.00 177.93 179.92 1u85 h MET 31 N 0.00 0.14 -3.43 2.45 2.86 -0.86 -3.39 114.93 112.70 1u85 h MET 31 Ca -0.19 -0.18 -0.69 0.00 -2.06 0.00 0.00 59.70 56.58 1u85 h MET 31 Cb 1.84 0.06 -0.36 0.00 0.06 0.00 0.00 31.60 33.20 1u85 h MET 31 CO 0.08 0.99 -0.32 -1.17 1.06 0.00 0.00 176.91 177.55 1u85 s LEU 32 N -8.34 5.24 0.00 1.22 2.96 0.06 -5.10 118.68 114.71 1u85 s LEU 32 Ca -0.16 -3.23 0.29 0.00 -0.22 0.00 0.00 54.13 50.80 1u85 s LEU 32 Cb -0.00 -1.84 1.33 0.00 0.50 0.00 0.00 46.19 46.18 1u85 s LEU 32 CO 0.74 -0.27 1.90 0.52 -1.32 0.00 0.00 176.35 177.92