#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 0.81 -0.27 -0.67 0.41 -1.26 -5.17 118.70 112.56 1qky s GLU 2 Ca 0.00 -0.89 -0.28 0.00 -0.41 0.00 0.00 54.97 53.40 1qky s GLU 2 Cb 0.00 0.33 0.17 0.00 -1.78 0.00 0.00 34.13 32.86 1qky s GLU 2 CO 0.00 -0.25 1.28 0.00 -0.49 0.00 0.00 175.26 175.80 1qky s ALA 3 N -3.59 -2.10 -0.50 5.21 0.00 -1.26 -5.11 121.76 114.41 1qky s ALA 3 Ca 0.03 1.78 -0.19 0.00 0.00 0.00 0.00 51.96 53.58 1qky s ALA 3 Cb 0.04 -1.44 0.06 0.00 0.00 0.00 0.00 23.12 21.78 1qky s ALA 3 CO -0.10 -0.21 0.62 0.42 0.00 0.00 0.00 175.76 176.49 1qky s ILE 4 N -0.64 4.89 0.17 0.00 1.01 -1.26 -5.03 121.20 120.34 1qky s ILE 4 Ca 0.06 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.26 1qky s ILE 4 Cb -0.02 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1qky s ILE 4 CO -0.08 -0.80 -0.12 0.00 0.00 0.00 0.00 174.94 173.94 1qky s ARG 5 N 2.60 1.17 0.02 2.79 1.70 -1.26 -1.70 118.95 124.27 1qky s ARG 5 Ca 0.15 -1.49 0.01 0.00 -0.47 0.00 0.00 55.73 53.93 1qky s ARG 5 Cb -0.19 -0.86 -0.02 0.00 -0.57 0.00 0.00 34.95 33.30 1qky s ARG 5 CO 0.12 0.13 -0.05 0.00 -1.08 0.00 0.00 175.30 174.42 1qky h THR 7 N 4.67 1.21 -3.50 0.00 1.03 -1.99 -3.45 112.91 110.88 1qky h THR 7 Ca -0.32 -2.77 -0.05 0.00 -0.01 0.00 0.00 66.41 63.26 1qky h THR 7 Cb 1.21 2.58 -0.11 0.00 -1.07 0.00 0.00 68.15 70.75 1qky h THR 7 CO 0.42 0.69 -0.09 -0.83 -0.01 0.00 0.00 175.52 175.71 1qky s GLY 8 N -4.65 0.11 0.15 2.99 0.00 -1.26 -5.06 107.32 99.59 1qky s GLY 8 Ca 0.01 -0.45 -0.26 0.00 0.00 0.00 0.00 44.72 44.03 1qky s GLY 8 CO 0.79 -0.45 1.59 -0.84 0.00 0.00 0.00 173.10 174.19 1qky h THR 9 N 2.31 0.21 -0.21 0.90 2.02 -1.93 -1.83 112.91 114.37 1qky h THR 9 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1qky h THR 9 Cb 1.25 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1qky h THR 9 CO 0.41 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.59 1qky n LYS 10 N -5.42 1.94 0.00 6.66 5.02 -1.26 -4.14 118.16 120.96 1qky n LYS 10 Ca -0.01 -0.95 0.00 0.00 -2.02 0.00 0.00 58.31 55.33 1qky n LYS 10 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1qky n LYS 10 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1qky n ASP 11 N 0.20 0.00 0.00 4.39 2.03 -0.69 -3.99 116.55 118.50 1qky n ASP 11 Ca 0.09 0.53 0.01 0.00 0.52 0.00 0.00 54.79 55.93 1qky n ASP 11 Cb 0.39 -0.25 0.05 0.00 -0.72 0.00 0.00 41.12 40.59 1qky n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qky h TYR 13 N 0.00 -0.75 0.70 0.00 -1.99 -1.73 -0.08 116.97 113.12 1qky h TYR 13 Ca 0.00 0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 1qky h TYR 13 Cb 0.00 0.39 0.01 0.00 2.00 0.00 0.00 36.73 39.13 1qky h TYR 13 CO 0.00 -0.35 -0.34 0.82 -0.00 0.00 0.00 178.16 178.29 1qky h ILE 14 N -0.20 0.00 -0.71 -2.88 1.08 -1.84 -1.44 117.51 111.51 1qky h ILE 14 Ca 0.19 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.57 1qky h ILE 14 Cb 0.51 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 1qky h ILE 14 CO -0.53 0.00 0.38 1.55 -0.69 0.00 0.00 178.15 178.86 1qky h PRO 15 N -1.02 0.99 -0.08 2.37 0.13 -1.83 0.19 132.00 132.75 1qky h PRO 15 Ca -0.10 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1qky h PRO 15 Cb 0.72 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1qky h PRO 15 CO 0.16 0.73 0.04 0.00 -0.23 0.00 0.00 178.00 178.70 1qky h ARG 17 N 0.02 0.92 0.54 0.00 2.43 -0.74 0.13 114.38 117.67 1qky h ARG 17 Ca 0.03 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1qky h ARG 17 Cb 0.11 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1qky h ARG 17 CO -0.00 0.67 -0.36 1.88 -1.51 0.00 0.00 179.97 180.64 1qky h TYR 18 N 0.93 -0.96 0.23 2.20 0.05 -0.12 0.62 116.97 119.92 1qky h TYR 18 Ca 0.24 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 1qky h TYR 18 Cb 0.00 0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1qky h TYR 18 CO 0.01 -0.54 -0.11 0.82 -1.05 0.00 0.00 178.16 177.29 1qky h ILE 19 N -0.86 0.78 -0.00 -2.88 2.04 -0.37 -3.30 117.51 112.92 1qky h ILE 19 Ca -0.06 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1qky h ILE 19 Cb 0.72 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1qky h ILE 19 CO 0.04 0.17 -0.16 1.07 0.00 0.00 0.00 178.15 179.27 1qky n THR 20 N -5.02 0.00 0.00 -0.27 5.66 0.43 -4.94 114.28 110.13 1qky n THR 20 Ca -0.09 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1qky n THR 20 Cb 0.26 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 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 1.42 1.08 3.84 1.09 0.00 0.21 -4.92 105.19 107.91 1qky n GLY 21 Ca 0.09 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.00 0.00 -3.49 0.00 -1.74 -1.26 -4.25 117.46 103.73 1qky n PHE 23 Ca 0.07 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.76 1qky n PHE 23 Cb 0.54 0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.57 1qky n PHE 23 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1qky n ASN 24 N 0.00 -6.06 -4.82 5.98 5.15 -1.26 -2.56 115.26 111.68 1qky n ASN 24 Ca 0.00 -0.73 -0.36 0.00 -0.60 0.00 0.00 54.58 52.88 1qky n ASN 24 Cb 0.00 -3.83 -0.06 0.00 -0.53 0.00 0.00 39.78 35.36 1qky n ASN 24 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1qky s SER 25 N -3.26 7.02 -0.00 1.20 0.01 -1.26 -0.32 113.70 117.08 1qky s SER 25 Ca 0.28 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1qky s SER 25 Cb -0.09 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 1qky s SER 25 CO 0.82 0.07 -0.01 -0.60 0.41 0.00 0.00 173.24 173.93 1qky s ARG 26 N -1.90 0.11 -0.40 12.44 3.52 0.86 -4.95 118.95 128.63 1qky s ARG 26 Ca 0.41 -0.05 -0.17 0.00 -0.13 0.00 0.00 55.73 55.79 1qky s ARG 26 Cb -0.17 -0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.13 1qky s ARG 26 CO 0.21 0.03 0.46 0.00 -0.81 0.00 0.00 175.30 175.19 1qky s ILE 28 N 2.24 0.33 -1.22 0.00 1.10 0.52 -4.82 121.20 119.35 1qky s ILE 28 Ca 0.14 0.04 -0.31 0.00 -0.51 0.00 0.00 60.65 60.01 1qky s ILE 28 Cb -0.16 -0.42 0.04 0.00 0.15 0.00 0.00 42.46 42.06 1qky s ILE 28 CO 0.14 0.20 0.68 -3.20 -2.11 0.00 0.00 174.94 170.65 1qky n ASN 29 N 4.40 -4.13 0.00 4.50 5.15 -1.26 -0.33 115.26 123.58 1qky n ASN 29 Ca -0.20 -1.26 0.00 0.00 -0.60 0.00 0.00 54.58 52.52 1qky n ASN 29 Cb 0.50 -1.95 0.00 0.00 -0.53 0.00 0.00 39.78 37.80 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 -4.91 0.00 -3.88 1.20 4.76 -1.26 -4.92 118.16 109.16 1qky n LYS 30 Ca -0.12 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.06 1qky n LYS 30 Cb 0.57 -3.62 -0.03 0.00 -1.84 0.00 0.00 35.03 30.11 1qky n LYS 30 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1qky s SER 31 N -1.66 6.35 -0.31 4.39 0.01 0.55 -0.35 113.70 122.68 1qky s SER 31 Ca 0.00 0.23 -0.20 0.00 1.31 0.00 0.00 55.95 57.29 1qky s SER 31 Cb 0.00 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 1qky s SER 31 CO 0.00 0.02 0.61 0.00 0.41 0.00 0.00 173.24 174.28 1qky s LYS 33 N 2.57 2.93 0.13 0.00 -0.14 0.51 -4.97 119.74 120.78 1qky s LYS 33 Ca 0.24 -0.82 0.07 0.00 -1.36 0.00 0.00 55.97 54.10 1qky s LYS 33 Cb -0.15 -2.39 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 1qky s LYS 33 CO 0.12 -0.04 -0.15 0.00 -0.76 0.00 0.00 175.35 174.51 1qky n TYR 35 N 0.53 0.00 0.00 0.00 4.02 0.56 -4.95 117.16 117.32 1qky n TYR 35 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 1qky n TYR 35 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 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 2.58 1.31 3.69 2.72 0.00 -1.13 -4.37 105.19 109.99 1qky n GLY 36 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 1qky n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32