#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hly s VAL 2 N 0.00 -0.01 0.18 2.28 1.01 -1.26 -1.77 120.40 120.83 1hly s VAL 2 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1hly s VAL 2 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 1hly s VAL 2 CO 0.00 0.02 -0.13 0.27 0.00 0.00 0.00 175.10 175.25 1hly s ILE 3 N 0.32 1.56 -0.40 2.22 -4.36 -1.26 -5.00 121.20 114.28 1hly s ILE 3 Ca -0.02 -2.14 -0.03 0.00 -0.26 0.00 0.00 60.65 58.20 1hly s ILE 3 Cb -0.03 -1.96 0.11 0.00 1.25 0.00 0.00 42.46 41.83 1hly s ILE 3 CO -0.01 -0.62 2.54 -0.67 0.24 0.00 0.00 174.94 176.41 1hly n ASP 4 N -0.26 6.46 -4.71 4.36 -0.08 -1.26 -3.67 116.55 117.39 1hly n ASP 4 Ca -0.09 -3.15 -0.40 0.00 -1.51 0.00 0.00 54.79 49.64 1hly n ASP 4 Cb 0.60 -1.18 -0.05 0.00 2.34 0.00 0.00 41.12 42.84 1hly n ASP 4 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1hly s VAL 5 N -2.21 5.01 -0.08 5.18 1.01 -1.26 -4.98 120.40 123.08 1hly s VAL 5 Ca 0.50 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.98 1hly s VAL 5 Cb 0.34 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1hly s VAL 5 CO -0.14 0.21 -0.15 -0.54 0.00 0.00 0.00 175.10 174.48 1hly s LYS 6 N 1.07 2.83 0.13 2.72 1.02 -1.26 -0.84 119.74 125.41 1hly s LYS 6 Ca 0.38 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.54 1hly s LYS 6 Cb -0.18 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1hly s LYS 6 CO 0.17 0.45 0.31 0.00 -0.92 0.00 0.00 175.35 175.36 1hly n THR 8 N -0.18 0.54 -4.70 0.00 5.66 -1.26 -4.39 114.28 109.96 1hly n THR 8 Ca -0.13 -0.46 -0.30 0.00 -3.05 0.00 0.00 64.05 60.11 1hly n THR 8 Cb 0.63 -0.33 -0.14 0.00 -1.55 0.00 0.00 70.33 68.94 1hly n THR 8 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1hly s SER 9 N -4.22 3.35 0.58 1.09 0.15 -1.26 -4.97 113.70 108.42 1hly s SER 9 Ca -0.06 -0.61 0.38 0.00 0.70 0.00 0.00 55.95 56.36 1hly s SER 9 Cb 0.06 -0.33 1.83 0.00 -1.71 0.00 0.00 66.02 65.87 1hly s SER 9 CO 0.55 0.23 2.14 1.55 1.20 0.00 0.00 173.24 178.91 1hly h PRO 10 N 4.44 0.00 -0.89 5.44 0.13 -1.89 -3.12 132.00 136.11 1hly h PRO 10 Ca -0.48 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1hly h PRO 10 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1hly h PRO 10 CO 0.43 0.00 0.58 0.87 -0.23 0.00 0.00 178.00 179.65 1hly h LYS 11 N 0.00 1.09 0.00 0.86 1.57 -1.94 -1.29 116.57 116.86 1hly h LYS 11 Ca 0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1hly h LYS 11 Cb 0.25 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1hly h LYS 11 CO 0.00 0.72 -0.01 1.96 -0.57 0.00 0.00 179.45 181.55 1hly h GLN 12 N 1.12 0.00 0.00 3.15 4.20 -1.96 -1.63 115.11 120.00 1hly h GLN 12 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1hly h GLN 12 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1hly h GLN 12 CO -0.12 0.01 -0.93 0.00 -0.67 0.00 0.00 178.83 177.13 1hly h LEU 14 N 0.00 -0.12 -1.06 0.00 5.85 -1.00 -1.26 115.31 117.72 1hly h LEU 14 Ca 0.00 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1hly h LEU 14 Cb 0.80 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1hly h LEU 14 CO 0.00 0.23 0.16 1.55 -0.34 0.00 0.00 178.44 180.04 1hly h PRO 15 N -0.49 0.84 -0.25 5.25 0.13 -1.81 -1.32 132.00 134.35 1hly h PRO 15 Ca -0.01 -0.16 -0.13 0.00 -0.87 0.00 0.00 66.00 64.83 1hly h PRO 15 Cb 0.40 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 1hly h PRO 15 CO 0.02 0.73 -0.36 -1.00 -0.23 0.00 0.00 178.00 177.17 1hly h PRO 16 N 0.81 0.69 -0.19 1.56 0.13 -1.80 -2.56 132.00 130.64 1hly h PRO 16 Ca 0.18 -0.40 0.01 0.00 -0.87 0.00 0.00 66.00 64.92 1hly h PRO 16 Cb 0.26 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1hly h PRO 16 CO -0.01 1.02 0.10 0.00 -0.23 0.00 0.00 178.00 178.88 1hly n LYS 18 N -5.00 0.01 0.00 0.00 5.02 -0.50 -2.25 118.16 115.43 1hly n LYS 18 Ca -0.03 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1hly n LYS 18 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1hly n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hly n ALA 19 N -1.49 -0.10 0.04 7.82 0.00 -0.54 -2.88 120.51 123.36 1hly n ALA 19 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 1hly n ALA 19 Cb 0.18 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.68 1hly n ALA 19 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1hly h GLN 20 N 0.00 0.44 -0.00 0.00 4.20 -1.56 -3.07 115.11 115.13 1hly h GLN 20 Ca 0.00 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1hly h GLN 20 Cb 0.00 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1hly h GLN 20 CO 0.00 0.94 -0.54 1.19 -0.67 0.00 0.00 178.83 179.75 1hly n PHE 21 N -3.89 0.00 -1.56 2.96 3.72 -0.96 -5.08 117.46 112.66 1hly n PHE 21 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1hly n PHE 21 Cb 0.66 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 1hly n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hly n GLY 22 N 1.25 -1.77 0.19 1.37 0.00 -1.14 -4.03 105.19 101.06 1hly n GLY 22 Ca 0.03 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.34 1hly n GLY 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hly h ILE 23 N 0.00 1.08 0.01 -0.61 2.10 -1.89 -1.65 117.51 116.55 1hly h ILE 23 Ca 0.00 -1.30 -0.20 0.00 1.08 0.00 0.00 64.86 64.44 1hly h ILE 23 Cb 0.00 1.74 -0.02 0.00 -1.09 0.00 0.00 36.82 37.44 1hly h ILE 23 CO 0.00 0.35 -0.95 -0.09 -1.08 0.00 0.00 178.15 176.38 1hly h ARG 24 N 0.00 0.04 -7.17 2.19 9.65 -1.93 -3.48 114.38 113.68 1hly h ARG 24 Ca -0.00 -0.05 -0.51 0.00 -1.10 0.00 0.00 59.98 58.31 1hly h ARG 24 Cb 0.71 0.02 0.10 0.00 -1.39 0.00 0.00 29.97 29.41 1hly h ARG 24 CO 0.05 0.95 0.40 0.00 2.80 0.00 0.00 179.97 184.16 1hly s ALA 25 N -2.89 2.47 0.45 2.80 0.00 -0.62 -3.61 121.76 120.36 1hly s ALA 25 Ca -0.00 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.67 1hly s ALA 25 Cb 0.10 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1hly s ALA 25 CO 0.82 -1.25 0.10 0.20 0.00 0.00 0.00 175.76 175.63 1hly s GLY 26 N -2.26 2.81 -0.22 0.00 0.00 -0.02 -4.61 107.32 103.02 1hly s GLY 26 Ca 0.70 -0.86 -0.11 0.00 0.00 0.00 0.00 44.72 44.45 1hly s GLY 26 CO 0.38 -1.95 0.52 0.00 0.00 0.00 0.00 173.10 172.05 1hly s ALA 27 N -3.09 -1.40 0.24 3.20 0.00 -1.26 -0.53 121.76 118.90 1hly s ALA 27 Ca 0.16 1.87 0.08 0.00 0.00 0.00 0.00 51.96 54.07 1hly s ALA 27 Cb 0.01 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 1hly s ALA 27 CO 0.11 -0.43 -0.12 0.15 0.00 0.00 0.00 175.76 175.47 1hly s LYS 28 N 1.78 1.43 -0.11 0.00 3.01 0.07 -4.87 119.74 121.04 1hly s LYS 28 Ca -0.08 -1.67 -0.02 0.00 -1.01 0.00 0.00 55.97 53.19 1hly s LYS 28 Cb -0.08 -1.18 -0.03 0.00 -1.01 0.00 0.00 37.83 35.53 1hly s LYS 28 CO -0.16 0.15 -0.03 0.00 0.51 0.00 0.00 175.35 175.82 1hly s MET 30 N -0.30 0.67 -1.59 0.00 0.00 0.28 -4.88 119.30 113.49 1hly s MET 30 Ca 0.05 0.86 -0.02 0.00 0.00 0.00 0.00 55.69 56.58 1hly s MET 30 Cb -0.12 0.29 0.00 0.00 0.00 0.00 0.00 34.83 35.00 1hly s MET 30 CO 0.02 -0.09 0.26 -1.71 0.00 0.00 0.00 175.02 173.50 1hly n ASN 31 N 3.00 -5.75 0.00 1.11 5.15 -1.26 -1.60 115.26 115.90 1hly n ASN 31 Ca -0.15 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1hly n ASN 31 Cb 0.56 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 1hly n ASN 31 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hly n GLY 32 N -1.23 0.34 3.17 8.20 0.00 -1.26 -5.00 105.19 109.41 1hly n GLY 32 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1hly n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hly s LYS 33 N -0.75 0.93 0.80 1.61 1.02 -0.63 -0.73 119.74 121.99 1hly s LYS 33 Ca 0.00 -1.39 -0.11 0.00 0.02 0.00 0.00 55.97 54.50 1hly s LYS 33 Cb 0.00 0.26 0.07 0.00 -0.52 0.00 0.00 37.83 37.64 1hly s LYS 33 CO 0.00 -0.27 1.09 0.00 -0.92 0.00 0.00 175.35 175.25 1hly s LYS 35 N -4.91 0.93 0.03 0.00 -0.14 0.72 -4.42 119.74 111.95 1hly s LYS 35 Ca 0.62 -1.37 -0.30 0.00 -1.36 0.00 0.00 55.97 53.55 1hly s LYS 35 Cb -0.17 -0.64 -0.05 0.00 -1.68 0.00 0.00 37.83 35.28 1hly s LYS 35 CO 0.56 -1.32 1.17 0.00 -0.76 0.00 0.00 175.35 175.00 1hly s TYR 37 N 1.27 3.50 -0.16 0.00 1.51 0.30 0.21 117.35 123.98 1hly s TYR 37 Ca 0.57 0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 56.92 1hly s TYR 37 Cb -0.28 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1hly s TYR 37 CO 0.28 0.54 2.69 -0.35 -1.11 0.00 0.00 175.55 177.59 1hly n PRO 38 N 0.12 1.78 0.00 -1.71 -0.04 -1.26 -0.84 135.00 133.05 1hly n PRO 38 Ca -0.05 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1hly n PRO 38 Cb 0.52 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1hly n PRO 38 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04