#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qky h GLU 2 N 0.00 -0.03 -4.92 -1.24 5.08 -2.09 -3.47 114.58 107.92 1qky h GLU 2 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1qky h GLU 2 Cb 0.00 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 1qky h GLU 2 CO 0.00 0.23 -0.51 0.00 -1.00 0.00 0.00 179.01 177.73 1qky s ALA 3 N -5.17 2.12 -0.37 3.43 0.00 -1.26 -5.13 121.76 115.37 1qky s ALA 3 Ca -0.15 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 49.99 1qky s ALA 3 Cb 0.04 1.26 0.09 0.00 0.00 0.00 0.00 23.12 24.51 1qky s ALA 3 CO 0.66 -0.56 0.14 -1.50 0.00 0.00 0.00 175.76 174.50 1qky s ILE 4 N -3.44 3.17 0.82 0.00 2.07 -1.26 -5.09 121.20 117.47 1qky s ILE 4 Ca 0.36 -1.87 -0.12 0.00 -1.41 0.00 0.00 60.65 57.61 1qky s ILE 4 Cb 0.03 -3.08 0.08 0.00 0.13 0.00 0.00 42.46 39.62 1qky s ILE 4 CO 0.22 -0.52 1.14 -0.13 -1.91 0.00 0.00 174.94 173.75 1qky s ARG 5 N 1.17 1.93 -0.01 3.50 0.52 -1.26 -0.47 118.95 124.32 1qky s ARG 5 Ca 0.05 0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.51 1qky s ARG 5 Cb -0.22 -1.93 -0.00 0.00 0.52 0.00 0.00 34.95 33.32 1qky s ARG 5 CO -0.03 -1.65 0.06 0.00 0.02 0.00 0.00 175.30 173.69 1qky h THR 7 N 4.76 1.21 -2.90 0.00 1.35 -1.95 -3.44 112.91 111.94 1qky h THR 7 Ca -0.28 -1.48 0.05 0.00 -0.55 0.00 0.00 66.41 64.15 1qky h THR 7 Cb 1.20 1.82 -0.03 0.00 -1.73 0.00 0.00 68.15 69.41 1qky h THR 7 CO 0.44 0.41 0.30 -0.83 -0.25 0.00 0.00 175.52 175.58 1qky s GLY 8 N -4.35 0.08 0.06 5.82 0.00 -1.26 -5.05 107.32 102.62 1qky s GLY 8 Ca -0.02 -0.43 -0.34 0.00 0.00 0.00 0.00 44.72 43.94 1qky s GLY 8 CO 0.72 -0.00 1.51 0.00 0.00 0.00 0.00 173.10 175.32 1qky h THR 9 N 2.00 0.00 0.00 0.90 1.03 -1.91 -2.97 112.91 111.96 1qky h THR 9 Ca -0.25 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.14 1qky h THR 9 Cb 1.25 0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 68.32 1qky h THR 9 CO 0.31 0.00 -0.03 0.50 -0.01 0.00 0.00 175.52 176.29 1qky h LYS 10 N -1.16 0.00 -0.43 0.00 3.64 -1.99 -2.39 116.57 114.24 1qky h LYS 10 Ca -0.11 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1qky h LYS 10 Cb 0.91 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 1qky h LYS 10 CO 0.16 0.03 0.09 0.22 -2.27 0.00 0.00 179.45 177.67 1qky h ASP 11 N 0.00 0.01 0.45 4.20 1.82 -1.94 -1.02 116.42 119.95 1qky h ASP 11 Ca -0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1qky h ASP 11 Cb 0.52 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.63 1qky h ASP 11 CO 0.00 0.04 0.00 0.00 -1.61 0.00 0.00 179.24 177.67 1qky n TYR 13 N -1.24 0.00 0.00 0.00 4.01 -0.38 -1.02 117.16 118.53 1qky n TYR 13 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1qky n TYR 13 Cb 0.21 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1qky n TYR 13 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1qky n ILE 14 N -1.23 0.00 0.33 -0.72 -0.00 -1.20 -4.06 119.36 112.48 1qky n ILE 14 Ca 0.06 0.11 -0.16 0.00 -0.00 0.00 0.00 62.75 62.76 1qky n ILE 14 Cb 0.08 -0.47 -0.08 0.00 -0.00 0.00 0.00 39.64 39.16 1qky n ILE 14 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 1qky h PRO 15 N 0.00 -0.79 -0.44 0.38 0.13 -1.78 0.18 132.00 129.67 1qky h PRO 15 Ca 0.00 0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.23 1qky h PRO 15 Cb 0.00 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 31.26 1qky h PRO 15 CO 0.00 -0.49 0.18 0.00 -0.23 0.00 0.00 178.00 177.46 1qky h ARG 17 N 0.36 0.02 -0.23 0.00 1.12 -1.57 0.32 114.38 114.40 1qky h ARG 17 Ca 0.20 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.02 1qky h ARG 17 Cb 0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 1qky h ARG 17 CO -0.19 0.62 -0.00 -0.92 -3.11 0.00 0.00 179.97 176.37 1qky h TYR 18 N 0.02 0.45 0.59 2.20 5.03 0.71 0.80 116.97 126.77 1qky h TYR 18 Ca -0.01 -0.08 -0.03 0.00 2.58 0.00 0.00 58.73 61.20 1qky h TYR 18 Cb 1.06 -0.12 0.01 0.00 1.55 0.00 0.00 36.73 39.23 1qky h TYR 18 CO 0.00 0.59 -0.28 0.82 -1.32 0.00 0.00 178.16 177.97 1qky h ILE 19 N 0.18 0.26 0.00 1.81 5.03 -0.51 -3.24 117.51 121.04 1qky h ILE 19 Ca 0.07 -0.34 -0.06 0.00 -0.12 0.00 0.00 64.86 64.40 1qky h ILE 19 Cb 0.41 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 34.54 1qky h ILE 19 CO 0.01 0.03 -0.29 0.00 -0.68 0.00 0.00 178.15 177.22 1qky h THR 20 N -1.06 0.69 0.00 -0.27 1.03 -1.04 -3.47 112.91 108.79 1qky h THR 20 Ca -0.08 -1.33 0.00 0.00 -0.01 0.00 0.00 66.41 64.99 1qky h THR 20 Cb 0.66 1.87 0.00 0.00 -1.07 0.00 0.00 68.15 69.61 1qky h THR 20 CO 0.13 0.29 0.00 0.61 -0.01 0.00 0.00 175.52 176.54 1qky n GLY 21 N 0.25 1.65 3.77 2.99 0.00 0.28 -4.70 105.19 109.43 1qky n GLY 21 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 0.06 3.45 -3.35 0.00 7.35 -1.26 -4.68 117.46 119.04 1qky n PHE 23 Ca 0.04 -2.96 -0.14 0.00 -0.76 0.00 0.00 57.45 53.63 1qky n PHE 23 Cb 0.43 -2.48 -0.07 0.00 0.35 0.00 0.00 39.48 37.70 1qky n PHE 23 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1qky s ASN 24 N 2.89 0.92 0.10 -2.13 2.47 -1.26 -5.10 114.94 112.83 1qky s ASN 24 Ca 0.46 -1.23 0.06 0.00 0.42 0.00 0.00 52.86 52.57 1qky s ASN 24 Cb 0.13 0.74 -0.03 0.00 -1.45 0.00 0.00 41.25 40.64 1qky s ASN 24 CO -0.08 -0.28 -0.15 -0.44 -3.72 0.00 0.00 177.10 172.43 1qky s SER 25 N 1.76 1.94 0.18 -4.21 0.01 -1.26 -0.28 113.70 111.84 1qky s SER 25 Ca 0.15 -0.70 0.04 0.00 1.31 0.00 0.00 55.95 56.74 1qky s SER 25 Cb -0.14 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 1qky s SER 25 CO -0.12 -0.08 -0.05 -0.13 0.41 0.00 0.00 173.24 173.27 1qky s ARG 26 N -2.13 1.15 -0.17 12.44 0.52 0.68 -4.99 118.95 126.44 1qky s ARG 26 Ca 0.04 -1.53 -0.01 0.00 -0.52 0.00 0.00 55.73 53.71 1qky s ARG 26 Cb -0.08 -0.55 0.04 0.00 0.52 0.00 0.00 34.95 34.88 1qky s ARG 26 CO 0.03 -0.01 -0.04 0.00 0.02 0.00 0.00 175.30 175.29 1qky s ILE 28 N 1.64 -0.02 -1.52 0.00 1.10 0.53 -4.79 121.20 118.15 1qky s ILE 28 Ca 0.00 0.06 -0.10 0.00 -0.51 0.00 0.00 60.65 60.10 1qky s ILE 28 Cb -0.16 -0.07 0.07 0.00 0.15 0.00 0.00 42.46 42.46 1qky s ILE 28 CO -0.08 0.03 0.77 0.59 -2.11 0.00 0.00 174.94 174.14 1qky n ASN 29 N 3.39 -2.91 0.00 4.50 3.02 -1.26 -0.27 115.26 121.73 1qky n ASN 29 Ca -0.17 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1qky n ASN 29 Cb 0.57 -3.45 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 1qky n ASN 29 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1qky n LYS 30 N -4.49 -0.26 -3.72 3.52 4.81 -1.26 -4.94 118.16 111.83 1qky n LYS 30 Ca -0.08 0.05 -0.36 0.00 -0.87 0.00 0.00 58.31 57.05 1qky n LYS 30 Cb 0.57 -3.93 -0.07 0.00 0.02 0.00 0.00 35.03 31.62 1qky n LYS 30 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1qky s SER 31 N -1.62 6.34 0.46 3.14 0.15 0.62 -0.34 113.70 122.46 1qky s SER 31 Ca 0.00 0.40 -0.22 0.00 0.70 0.00 0.00 55.95 56.83 1qky s SER 31 Cb 0.00 -2.11 -0.08 0.00 -1.71 0.00 0.00 66.02 62.11 1qky s SER 31 CO 0.00 0.24 1.07 0.00 1.20 0.00 0.00 173.24 175.75 1qky s LYS 33 N -2.93 0.31 0.18 0.00 -0.14 0.54 -4.78 119.74 112.91 1qky s LYS 33 Ca 0.64 -0.08 0.01 0.00 -1.36 0.00 0.00 55.97 55.19 1qky s LYS 33 Cb -0.20 -1.57 -0.04 0.00 -1.68 0.00 0.00 37.83 34.34 1qky s LYS 33 CO 0.25 -0.55 0.33 0.00 -0.76 0.00 0.00 175.35 174.62 1qky s TYR 35 N -1.81 1.63 0.95 0.00 1.51 0.62 -4.97 117.35 115.27 1qky s TYR 35 Ca 0.36 -1.55 -0.11 0.00 -1.01 0.00 0.00 57.07 54.76 1qky s TYR 35 Cb -0.11 -1.55 0.12 0.00 -0.11 0.00 0.00 41.96 40.30 1qky s TYR 35 CO 0.29 -0.81 0.86 0.41 -1.11 0.00 0.00 175.55 175.19 1qky n GLY 36 N 4.87 -1.08 3.10 0.71 0.00 -1.26 -4.50 105.19 107.04 1qky n GLY 36 Ca -0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 1qky n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32