#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 4.94 0.65 1.61 0.01 -1.26 -5.08 113.70 114.58 1u85 s SER 2 Ca 0.00 0.34 -0.11 0.00 1.31 0.00 0.00 55.95 57.49 1u85 s SER 2 Cb 0.00 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.15 1u85 s SER 2 CO 0.00 -1.47 1.05 -0.89 0.41 0.00 0.00 173.24 172.34 1u85 s THR 3 N -3.12 4.28 -0.69 1.44 2.01 -1.26 -4.93 115.64 113.38 1u85 s THR 3 Ca 0.59 0.74 -0.07 0.00 0.31 0.00 0.00 61.69 63.26 1u85 s THR 3 Cb -0.11 -3.71 -0.15 0.00 0.01 0.00 0.00 72.50 68.54 1u85 s THR 3 CO 0.43 -0.97 3.25 0.61 -0.69 0.00 0.00 174.62 177.25 1u85 n GLY 4 N -2.76 3.69 3.78 4.40 0.00 -1.26 -4.93 105.19 108.12 1u85 n GLY 4 Ca 0.06 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 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 0.97 4.23 0.21 -0.61 -1.09 -1.26 -4.80 121.20 118.86 1u85 s ILE 5 Ca 0.66 1.80 0.09 0.00 -2.23 0.00 0.00 60.65 60.98 1u85 s ILE 5 Cb 0.27 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1u85 s ILE 5 CO -0.05 0.18 -0.17 -0.54 -1.23 0.00 0.00 174.94 173.14 1u85 s LYS 6 N -1.96 1.40 0.64 2.79 -0.14 -1.26 -5.03 119.74 116.19 1u85 s LYS 6 Ca 0.49 -1.58 0.39 0.00 -1.36 0.00 0.00 55.97 53.91 1u85 s LYS 6 Cb -0.19 -1.35 2.21 0.00 -1.68 0.00 0.00 37.83 36.81 1u85 s LYS 6 CO 0.24 0.25 2.31 -1.00 -0.76 0.00 0.00 175.35 176.39 1u85 h PRO 7 N 2.71 0.00 -4.64 -1.68 0.13 -1.91 -3.35 132.00 123.26 1u85 h PRO 7 Ca -0.40 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.09 1u85 h PRO 7 Cb 1.22 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.98 1u85 h PRO 7 CO 0.58 0.00 -0.79 -0.06 -0.23 0.00 0.00 178.00 177.50 1u85 s PHE 8 N -4.30 2.93 0.01 1.56 0.40 -1.00 -5.05 117.98 112.53 1u85 s PHE 8 Ca -0.05 -2.13 0.07 0.00 -0.60 0.00 0.00 56.93 54.22 1u85 s PHE 8 Cb 0.13 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 1u85 s PHE 8 CO 0.45 -0.84 -0.20 -0.65 0.70 0.00 0.00 175.22 174.67 1u85 s GLN 9 N 1.21 1.53 -0.07 0.44 -0.21 -1.26 0.14 119.66 121.45 1u85 s GLN 9 Ca -0.07 -0.81 -0.28 0.00 0.02 0.00 0.00 55.36 54.22 1u85 s GLN 9 Cb -0.19 -1.55 -0.02 0.00 1.00 0.00 0.00 33.01 32.24 1u85 s GLN 9 CO -0.06 0.41 0.90 0.00 -2.12 0.00 0.00 175.29 174.42 1u85 n PRO 11 N 4.35 1.47 -0.08 0.00 -0.04 -1.26 -2.07 135.00 137.37 1u85 n PRO 11 Ca 0.05 -0.70 -0.14 0.00 -0.04 0.00 0.00 63.50 62.67 1u85 n PRO 11 Cb 0.50 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.07 1.66 0.00 3.54 -0.08 -1.26 -4.70 116.55 115.65 1u85 n ASP 12 Ca 0.15 0.28 0.11 0.00 -1.51 0.00 0.00 54.79 53.81 1u85 n ASP 12 Cb 0.23 -0.65 -0.06 0.00 2.34 0.00 0.00 41.12 42.98 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 -1.69 -3.34 -4.80 0.00 -0.08 -0.88 -5.01 116.55 100.75 1u85 n ASP 14 Ca 0.03 -0.12 -0.33 0.00 -1.51 0.00 0.00 54.79 52.86 1u85 n ASP 14 Cb 0.38 -2.23 -0.02 0.00 2.34 0.00 0.00 41.12 41.59 1u85 n ASP 14 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1u85 s TRP 15 N -2.80 3.05 -0.06 -0.67 0.52 -1.20 -4.79 118.94 112.98 1u85 s TRP 15 Ca 0.12 1.55 0.02 0.00 0.02 0.00 0.00 56.10 57.81 1u85 s TRP 15 Cb -0.05 -3.01 0.01 0.00 -1.15 0.00 0.00 33.47 29.27 1u85 s TRP 15 CO 0.15 -0.83 -0.11 -1.54 0.02 0.00 0.00 176.95 174.65 1u85 s SER 16 N -2.33 1.61 -0.02 2.95 1.04 -1.26 0.10 113.70 115.78 1u85 s SER 16 Ca 0.65 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.85 1u85 s SER 16 Cb -0.15 -0.75 -0.01 0.00 0.10 0.00 0.00 66.02 65.21 1u85 s SER 16 CO 0.26 0.01 -0.13 -0.36 0.98 0.00 0.00 173.24 174.00 1u85 s PHE 17 N 0.72 1.21 -0.78 5.02 0.40 0.12 -4.91 117.98 119.77 1u85 s PHE 17 Ca -0.14 -0.28 0.26 0.00 -0.60 0.00 0.00 56.93 56.18 1u85 s PHE 17 Cb -0.15 -0.81 0.75 0.00 0.51 0.00 0.00 43.02 43.31 1u85 s PHE 17 CO 0.03 -0.07 1.66 0.43 0.70 0.00 0.00 175.22 177.97 1u85 n SER 18 N 2.98 0.62 -4.27 1.36 7.64 -1.26 -2.38 113.62 118.31 1u85 n SER 18 Ca -0.16 0.39 -0.30 0.00 1.01 0.00 0.00 58.87 59.81 1u85 n SER 18 Cb 0.55 -0.43 -0.16 0.00 -1.01 0.00 0.00 64.21 63.15 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 -3.09 2.15 0.16 1.43 0.52 -1.26 -4.87 118.95 113.99 1u85 s ARG 19 Ca 0.10 -0.87 -0.13 0.00 -0.52 0.00 0.00 55.73 54.31 1u85 s ARG 19 Cb 0.14 -1.97 0.05 0.00 0.52 0.00 0.00 34.95 33.69 1u85 s ARG 19 CO 0.62 0.46 1.71 0.66 0.02 0.00 0.00 175.30 178.78 1u85 h SER 20 N 5.74 0.74 0.26 0.23 4.64 -1.97 -1.78 113.55 121.42 1u85 h SER 20 Ca -0.38 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 60.69 1u85 h SER 20 Cb 1.14 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1u85 h SER 20 CO 0.47 0.71 -0.32 -2.24 -0.87 0.00 0.00 176.83 174.58 1u85 h ASP 21 N 0.73 0.09 -0.36 4.97 2.03 -1.98 -0.75 116.42 121.15 1u85 h ASP 21 Ca 0.18 -0.03 -0.15 0.00 -0.73 0.00 0.00 57.03 56.30 1u85 h ASP 21 Cb 0.20 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.67 1u85 h ASP 21 CO -0.01 0.41 -0.37 0.45 -1.03 0.00 0.00 179.24 178.68 1u85 h HIS 22 N 0.08 1.06 -0.41 4.15 3.86 -1.86 0.13 115.15 122.15 1u85 h HIS 22 Ca 0.01 -0.32 -0.05 0.00 -1.16 0.00 0.00 60.37 58.84 1u85 h HIS 22 Cb 0.61 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1u85 h HIS 22 CO 0.00 1.13 0.04 1.25 0.86 0.00 0.00 177.93 181.22 1u85 h LEU 23 N 0.68 0.67 -1.12 2.43 5.85 -0.99 -2.58 115.31 120.26 1u85 h LEU 23 Ca 0.05 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 1u85 h LEU 23 Cb 0.96 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1u85 h LEU 23 CO 0.09 0.78 0.19 0.00 -0.34 0.00 0.00 178.44 179.17 1u85 h ALA 24 N 0.91 1.30 0.00 1.25 0.00 -1.03 0.48 119.26 122.18 1u85 h ALA 24 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1u85 h ALA 24 Cb 0.41 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1u85 h ALA 24 CO 0.01 0.51 -0.03 1.25 0.00 0.00 0.00 179.25 180.99 1u85 h LEU 25 N 0.80 0.00 0.02 0.00 6.46 -0.67 -1.26 115.31 120.66 1u85 h LEU 25 Ca 0.19 0.00 -0.39 0.00 -0.12 0.00 0.00 57.88 57.56 1u85 h LEU 25 Cb 0.20 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 1u85 h LEU 25 CO -0.01 0.03 -2.20 1.57 -0.62 0.00 0.00 178.44 177.21 1u85 n HIS 26 N -3.26 0.39 0.91 1.25 -0.00 -0.16 -4.44 115.22 109.91 1u85 n HIS 26 Ca -0.02 0.13 0.12 0.00 0.46 0.00 0.00 57.72 58.41 1u85 n HIS 26 Cb 0.18 -1.05 0.56 0.00 -0.12 0.00 0.00 29.99 29.56 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 -3.88 0.02 0.21 1.57 1.74 0.15 -3.12 116.66 113.35 1u85 n ARG 27 Ca -0.44 0.06 0.05 0.00 -0.77 0.00 0.00 57.85 56.74 1u85 n ARG 27 Cb 0.90 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 31.34 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 0.04 0.00 5.56 2.10 -1.44 0.23 116.57 123.06 1u85 h LYS 28 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1u85 h LYS 28 Cb 0.43 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1u85 h LYS 28 CO 0.00 0.20 0.00 2.89 -2.00 0.00 0.00 179.45 180.54 1u85 n ARG 29 N -4.33 0.07 -0.07 0.07 1.85 -1.18 -0.21 116.66 112.85 1u85 n ARG 29 Ca -0.02 0.20 -0.08 0.00 -1.00 0.00 0.00 57.85 56.95 1u85 n ARG 29 Cb 0.24 -1.60 -0.15 0.00 -1.05 0.00 0.00 32.46 29.89 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 -1.72 0.24 -0.08 2.89 8.25 0.59 -4.58 115.22 120.82 1u85 n HIS 30 Ca 0.05 0.09 -0.21 0.00 -0.26 0.00 0.00 57.72 57.39 1u85 n HIS 30 Cb 0.26 -1.01 -0.12 0.00 1.12 0.00 0.00 29.99 30.24 1u85 n HIS 30 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1u85 h MET 31 N 0.00 0.04 -5.92 -0.41 2.86 -0.54 -3.49 114.93 107.47 1u85 h MET 31 Ca -0.44 -0.06 -0.40 0.00 -2.06 0.00 0.00 59.70 56.73 1u85 h MET 31 Cb 2.09 0.02 0.10 0.00 0.06 0.00 0.00 31.60 33.87 1u85 h MET 31 CO 0.04 1.03 -0.72 1.28 1.06 0.00 0.00 176.91 179.59 1u85 n LEU 32 N -4.35 -3.33 -0.32 1.22 4.77 0.71 -5.08 117.00 110.61 1u85 n LEU 32 Ca -0.29 -0.63 0.04 0.00 -0.03 0.00 0.00 56.01 55.11 1u85 n LEU 32 Cb 0.70 -2.93 0.03 0.00 -2.33 0.00 0.00 43.42 38.89 1u85 n LEU 32 CO 0.24 0.55 0.38 0.52 -1.33 0.00 0.00 177.39 177.75