#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qky s GLU 2 N 0.00 0.61 -1.15 -1.24 2.12 -1.26 -5.07 118.70 112.71 1qky s GLU 2 Ca 0.00 0.22 -0.15 0.00 0.36 0.00 0.00 54.97 55.40 1qky s GLU 2 Cb 0.00 0.28 0.16 0.00 0.26 0.00 0.00 34.13 34.83 1qky s GLU 2 CO 0.00 -0.14 1.39 0.00 -0.54 0.00 0.00 175.26 175.97 1qky s ALA 3 N -0.56 3.82 -1.39 6.30 0.00 -1.26 -4.92 121.76 123.76 1qky s ALA 3 Ca -0.07 -3.21 -0.14 0.00 0.00 0.00 0.00 51.96 48.54 1qky s ALA 3 Cb -0.04 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1qky s ALA 3 CO 0.03 -2.85 2.27 -0.89 0.00 0.00 0.00 175.76 174.31 1qky n ILE 4 N 4.91 3.33 -4.31 0.00 5.41 -1.26 -4.83 119.36 122.61 1qky n ILE 4 Ca 0.35 -2.77 -0.16 0.00 1.00 0.00 0.00 62.75 61.16 1qky n ILE 4 Cb 0.44 -2.57 -0.10 0.00 -0.71 0.00 0.00 39.64 36.70 1qky n ILE 4 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1qky s ARG 5 N 3.31 1.42 0.16 0.38 0.52 -1.26 -2.05 118.95 121.43 1qky s ARG 5 Ca 0.50 -1.77 -0.01 0.00 -0.52 0.00 0.00 55.73 53.93 1qky s ARG 5 Cb 0.14 -0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.36 1qky s ARG 5 CO -0.06 -0.32 0.10 0.00 0.02 0.00 0.00 175.30 175.04 1qky n THR 7 N -0.16 1.07 -1.42 0.00 -1.04 -1.26 -4.75 114.28 106.71 1qky n THR 7 Ca -0.03 0.35 -0.31 0.00 -2.04 0.00 0.00 64.05 62.02 1qky n THR 7 Cb 0.64 -1.45 0.07 0.00 -1.82 0.00 0.00 70.33 67.78 1qky n THR 7 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1qky s GLY 8 N -4.11 1.71 0.13 3.41 0.00 -1.26 -4.98 107.32 102.22 1qky s GLY 8 Ca 0.00 0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.67 1qky s GLY 8 CO 0.00 0.55 1.62 -0.84 0.00 0.00 0.00 173.10 174.43 1qky h THR 9 N -0.87 0.32 -0.29 0.90 2.02 -1.96 -2.82 112.91 110.20 1qky h THR 9 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1qky h THR 9 Cb 1.22 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1qky h THR 9 CO 0.54 0.00 0.00 2.29 0.37 0.00 0.00 175.52 178.72 1qky n LYS 10 N -5.41 1.89 -0.11 6.66 2.85 -1.26 -4.58 118.16 118.21 1qky n LYS 10 Ca -0.05 -1.36 -0.09 0.00 -1.05 0.00 0.00 58.31 55.76 1qky n LYS 10 Cb 0.32 -1.37 -0.03 0.00 -0.65 0.00 0.00 35.03 33.30 1qky n LYS 10 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1qky h ASP 11 N 2.48 -1.25 0.00 -5.58 5.19 -1.88 -1.32 116.42 114.06 1qky h ASP 11 Ca 0.00 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1qky h ASP 11 Cb 0.55 0.56 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1qky h ASP 11 CO 0.00 -0.35 0.00 0.00 -3.12 0.00 0.00 179.24 175.77 1qky h TYR 13 N 0.00 0.20 0.33 0.00 -1.99 -1.50 -2.89 116.97 111.11 1qky h TYR 13 Ca 0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1qky h TYR 13 Cb 0.00 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 1qky h TYR 13 CO 0.00 0.10 -0.43 0.82 -0.00 0.00 0.00 178.16 178.65 1qky h ILE 14 N 0.24 0.00 -0.57 -2.88 5.03 -1.75 0.13 117.51 117.70 1qky h ILE 14 Ca 0.11 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.81 1qky h ILE 14 Cb 0.06 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.83 1qky h ILE 14 CO -0.10 0.00 0.20 1.55 -0.68 0.00 0.00 178.15 179.12 1qky h PRO 15 N -0.78 0.87 -0.28 2.37 0.13 -1.81 0.18 132.00 132.68 1qky h PRO 15 Ca -0.04 -0.17 0.05 0.00 -0.87 0.00 0.00 66.00 64.97 1qky h PRO 15 Cb 0.70 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 31.65 1qky h PRO 15 CO -0.11 0.77 -0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1qky h ARG 17 N 0.08 0.66 -0.66 0.00 2.43 -0.32 0.28 114.38 116.85 1qky h ARG 17 Ca 0.13 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1qky h ARG 17 Cb 0.17 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1qky h ARG 17 CO -0.22 0.52 0.22 -0.92 -1.51 0.00 0.00 179.97 178.06 1qky h TYR 18 N 0.66 1.02 0.18 2.20 3.20 0.83 0.15 116.97 125.22 1qky h TYR 18 Ca 0.17 -0.08 -0.33 0.00 3.14 0.00 0.00 58.73 61.62 1qky h TYR 18 Cb 0.08 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.06 1qky h TYR 18 CO 0.01 0.81 -1.60 0.82 -1.64 0.00 0.00 178.16 176.55 1qky h ILE 19 N 0.97 1.11 0.00 1.81 2.04 0.45 -3.40 117.51 120.49 1qky h ILE 19 Ca 0.22 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1qky h ILE 19 Cb 0.25 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1qky h ILE 19 CO -0.01 0.84 -0.55 1.07 0.00 0.00 0.00 178.15 179.49 1qky n THR 20 N -3.58 0.00 -0.63 -0.27 5.66 0.87 -5.02 114.28 111.30 1qky n THR 20 Ca -0.20 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 1qky n THR 20 Cb 1.07 0.79 0.00 0.00 -1.55 0.00 0.00 70.33 70.64 1qky n THR 20 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qky n GLY 21 N 1.49 1.25 3.08 1.09 0.00 0.52 -4.78 105.19 107.84 1qky n GLY 21 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1qky n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qky n PHE 23 N 2.56 1.20 -3.85 0.00 -1.74 -1.26 -3.09 117.46 111.28 1qky n PHE 23 Ca -0.15 -1.98 -0.31 0.00 -0.56 0.00 0.00 57.45 54.45 1qky n PHE 23 Cb 0.56 -1.61 -0.11 0.00 1.52 0.00 0.00 39.48 39.84 1qky n PHE 23 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1qky s ASN 24 N 1.11 4.93 -0.31 5.98 0.01 -1.26 -4.96 114.94 120.44 1qky s ASN 24 Ca 0.62 -3.48 0.01 0.00 -0.71 0.00 0.00 52.86 49.30 1qky s ASN 24 Cb 0.32 -1.71 0.10 0.00 0.41 0.00 0.00 41.25 40.37 1qky s ASN 24 CO -0.11 -0.18 0.08 -0.55 -1.51 0.00 0.00 177.10 174.83 1qky s SER 25 N -0.65 4.21 -0.16 -1.22 0.15 -1.26 -0.33 113.70 114.44 1qky s SER 25 Ca 0.22 -1.76 -0.29 0.00 0.70 0.00 0.00 55.95 54.82 1qky s SER 25 Cb -0.13 -1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 63.10 1qky s SER 25 CO -0.10 -0.40 1.09 -0.60 1.20 0.00 0.00 173.24 174.44 1qky s ARG 26 N 1.42 4.31 -0.57 5.44 3.52 0.62 -4.64 118.95 129.05 1qky s ARG 26 Ca 0.10 1.47 -0.18 0.00 -0.13 0.00 0.00 55.73 56.98 1qky s ARG 26 Cb -0.18 -3.62 0.10 0.00 -1.56 0.00 0.00 34.95 29.69 1qky s ARG 26 CO -0.20 -0.53 0.63 0.00 -0.81 0.00 0.00 175.30 174.40 1qky s ILE 28 N 2.37 1.25 -1.45 0.00 1.10 0.58 -4.66 121.20 120.37 1qky s ILE 28 Ca 0.09 -0.60 -0.08 0.00 -0.51 0.00 0.00 60.65 59.56 1qky s ILE 28 Cb -0.25 -1.09 0.05 0.00 0.15 0.00 0.00 42.46 41.32 1qky s ILE 28 CO 0.06 0.37 0.80 -3.20 -2.11 0.00 0.00 174.94 170.86 1qky n ASN 29 N 3.31 -2.87 0.00 4.50 5.15 -1.26 -0.26 115.26 123.82 1qky n ASN 29 Ca -0.19 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 1qky n ASN 29 Cb 0.53 -3.78 0.00 0.00 -0.53 0.00 0.00 39.78 36.00 1qky n ASN 29 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1qky n LYS 30 N -4.49 -0.27 -4.04 1.20 5.02 -1.26 -4.93 118.16 109.40 1qky n LYS 30 Ca -0.12 0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.88 1qky n LYS 30 Cb 0.60 -3.73 -0.06 0.00 -0.02 0.00 0.00 35.03 31.81 1qky n LYS 30 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1qky s SER 31 N -1.50 5.93 0.25 4.39 0.01 0.64 -0.28 113.70 123.13 1qky s SER 31 Ca 0.00 0.24 -0.19 0.00 1.31 0.00 0.00 55.95 57.32 1qky s SER 31 Cb 0.00 -1.78 -0.08 0.00 0.21 0.00 0.00 66.02 64.37 1qky s SER 31 CO 0.00 0.30 0.74 0.00 0.41 0.00 0.00 173.24 174.68 1qky s LYS 33 N -2.23 0.38 -0.04 0.00 -0.14 0.69 -4.96 119.74 113.44 1qky s LYS 33 Ca 0.46 -0.06 -0.08 0.00 -1.36 0.00 0.00 55.97 54.94 1qky s LYS 33 Cb -0.15 -1.46 -0.05 0.00 -1.68 0.00 0.00 37.83 34.50 1qky s LYS 33 CO 0.20 -0.50 0.23 0.00 -0.76 0.00 0.00 175.35 174.52 1qky n TYR 35 N 1.54 0.00 -1.97 0.00 4.02 0.55 -4.98 117.16 116.31 1qky n TYR 35 Ca -0.15 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.75 1qky n TYR 35 Cb 0.54 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1qky n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qky n GLY 36 N 1.13 -2.12 3.57 2.72 0.00 -1.26 -4.59 105.19 104.64 1qky n GLY 36 Ca 0.00 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1qky n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32