#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 0.01 1.37 -1.24 2.12 -1.26 -5.10 118.70 114.60 1qky s GLU 2 Ca 0.00 0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.79 1qky s GLU 2 Cb 0.00 -0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.08 1qky s GLU 2 CO 0.00 -0.28 0.00 0.00 -0.54 0.00 0.00 175.26 174.44 1qky n ALA 3 N 5.05 0.00 -3.74 6.30 0.00 -1.26 -4.78 120.51 122.08 1qky n ALA 3 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 1qky n ALA 3 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 1qky n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qky s ILE 4 N 0.00 0.03 0.41 0.00 -1.09 -1.26 -5.10 121.20 114.19 1qky s ILE 4 Ca 0.00 0.18 0.07 0.00 -2.23 0.00 0.00 60.65 58.67 1qky s ILE 4 Cb 0.00 -0.16 -0.08 0.00 -1.58 0.00 0.00 42.46 40.64 1qky s ILE 4 CO 0.00 0.12 0.03 -0.13 -1.23 0.00 0.00 174.94 173.73 1qky s ARG 5 N 1.12 1.99 -0.04 2.79 0.52 -1.26 -0.99 118.95 123.08 1qky s ARG 5 Ca -0.09 -2.06 -0.03 0.00 -0.52 0.00 0.00 55.73 53.03 1qky s ARG 5 Cb -0.13 -1.69 0.01 0.00 0.52 0.00 0.00 34.95 33.66 1qky s ARG 5 CO -0.03 -0.05 0.10 0.00 0.02 0.00 0.00 175.30 175.35 1qky h THR 7 N 5.22 1.14 -2.41 0.00 2.02 -1.91 -3.45 112.91 113.51 1qky h THR 7 Ca -0.29 -0.33 0.22 0.00 0.77 0.00 0.00 66.41 66.78 1qky h THR 7 Cb 1.19 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1qky h THR 7 CO 0.45 0.18 0.68 -0.83 0.37 0.00 0.00 175.52 176.37 1qky s GLY 8 N -3.41 0.04 0.18 2.16 0.00 -1.26 -5.02 107.32 100.01 1qky s GLY 8 Ca -0.11 -0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.13 1qky s GLY 8 CO 0.78 3.38 1.55 -0.84 0.00 0.00 0.00 173.10 177.98 1qky h THR 9 N 2.00 0.02 0.00 0.90 2.02 -1.96 -1.09 112.91 114.80 1qky h THR 9 Ca -0.26 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1qky h THR 9 Cb 1.21 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1qky h THR 9 CO 0.35 0.00 -0.12 0.11 0.37 0.00 0.00 175.52 176.23 1qky h LYS 10 N -0.10 0.00 -0.07 6.66 1.57 -2.00 -2.03 116.57 120.59 1qky h LYS 10 Ca 0.20 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.76 1qky h LYS 10 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 1qky h LYS 10 CO -0.85 0.12 -0.84 0.22 -0.57 0.00 0.00 179.45 177.54 1qky h ASP 11 N 0.00 0.70 -0.09 0.86 3.58 -1.62 -3.28 116.42 116.57 1qky h ASP 11 Ca -0.00 -0.49 0.02 0.00 0.42 0.00 0.00 57.03 56.98 1qky h ASP 11 Cb 0.54 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 1qky h ASP 11 CO 0.02 1.27 0.07 0.00 -2.88 0.00 0.00 179.24 177.72 1qky h TYR 13 N 0.00 0.15 0.08 0.00 0.05 -1.61 -1.73 116.97 113.91 1qky h TYR 13 Ca 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 1qky h TYR 13 Cb 0.18 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1qky h TYR 13 CO 0.00 0.07 -0.04 0.82 -1.05 0.00 0.00 178.16 177.96 1qky h ILE 14 N 0.14 0.00 0.00 -2.88 2.04 -1.34 0.05 117.51 115.52 1qky h ILE 14 Ca 0.22 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 1qky h ILE 14 Cb 0.71 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1qky h ILE 14 CO -0.03 0.00 -0.15 1.55 0.00 0.00 0.00 178.15 179.52 1qky h PRO 15 N -0.13 0.00 0.90 2.37 0.13 -1.71 0.18 132.00 133.73 1qky h PRO 15 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1qky h PRO 15 Cb 0.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.23 1qky h PRO 15 CO 0.02 0.15 -0.43 0.00 -0.23 0.00 0.00 178.00 177.51 1qky h ARG 17 N -1.25 0.00 0.11 0.00 2.43 -0.53 0.93 114.38 116.08 1qky h ARG 17 Ca -0.12 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.83 1qky h ARG 17 Cb 0.93 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1qky h ARG 17 CO 0.20 0.03 -0.91 -0.92 -1.51 0.00 0.00 179.97 176.86 1qky h TYR 18 N 0.00 0.70 0.00 2.20 5.03 -0.50 -3.23 116.97 121.17 1qky h TYR 18 Ca -0.00 -0.46 0.00 0.00 2.58 0.00 0.00 58.73 60.85 1qky h TYR 18 Cb 0.37 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.60 1qky h TYR 18 CO 0.00 1.33 0.00 -0.89 -1.32 0.00 0.00 178.16 177.28 1qky n ILE 19 N -4.04 0.00 0.12 1.81 5.41 0.56 -4.53 119.36 118.69 1qky n ILE 19 Ca -0.13 0.25 0.11 0.00 1.00 0.00 0.00 62.75 63.98 1qky n ILE 19 Cb 0.85 -1.04 0.60 0.00 -0.71 0.00 0.00 39.64 39.34 1qky n ILE 19 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1qky h THR 20 N 0.00 0.94 0.00 1.39 2.02 -1.06 -3.46 112.91 112.74 1qky h THR 20 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1qky h THR 20 Cb 0.00 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1qky h THR 20 CO 0.00 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.52 1qky n GLY 21 N -1.55 1.61 3.70 2.16 0.00 -0.06 -4.94 105.19 106.10 1qky n GLY 21 Ca 0.02 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.51 0.96 -1.51 0.00 7.35 -1.26 -3.88 117.46 115.61 1qky n PHE 23 Ca 0.12 0.36 -0.40 0.00 -0.76 0.00 0.00 57.45 56.77 1qky n PHE 23 Cb 0.51 -1.10 -0.10 0.00 0.35 0.00 0.00 39.48 39.14 1qky n PHE 23 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1qky n ASN 24 N -4.20 1.26 -4.16 -2.13 5.15 -1.17 -4.85 115.26 105.16 1qky n ASN 24 Ca -0.34 -0.06 -0.11 0.00 -0.60 0.00 0.00 54.58 53.47 1qky n ASN 24 Cb 0.78 -1.21 -0.09 0.00 -0.53 0.00 0.00 39.78 38.73 1qky n ASN 24 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1qky s SER 25 N 10.05 0.16 -0.07 1.20 1.04 -1.26 -0.30 113.70 124.52 1qky s SER 25 Ca 1.18 -1.28 -0.19 0.00 0.48 0.00 0.00 55.95 56.14 1qky s SER 25 Cb -0.81 0.38 0.04 0.00 0.10 0.00 0.00 66.02 65.74 1qky s SER 25 CO 0.40 -0.84 0.45 -0.60 0.98 0.00 0.00 173.24 173.63 1qky s ARG 26 N -4.11 0.73 -0.16 4.02 3.00 0.57 -4.96 118.95 118.03 1qky s ARG 26 Ca 0.33 0.15 -0.08 0.00 -1.00 0.00 0.00 55.73 55.13 1qky s ARG 26 Cb 0.06 0.34 -0.04 0.00 0.00 0.00 0.00 34.95 35.31 1qky s ARG 26 CO 0.09 -0.19 0.13 0.00 0.00 0.00 0.00 175.30 175.33 1qky s ILE 28 N -0.27 -0.05 -1.41 0.00 1.10 0.58 -4.86 121.20 116.28 1qky s ILE 28 Ca 0.11 0.19 -0.03 0.00 -0.51 0.00 0.00 60.65 60.41 1qky s ILE 28 Cb -0.12 -0.14 0.00 0.00 0.15 0.00 0.00 42.46 42.36 1qky s ILE 28 CO 0.01 0.08 0.35 0.59 -2.11 0.00 0.00 174.94 173.86 1qky n ASN 29 N 4.13 -0.49 0.00 4.50 3.02 -1.26 -0.11 115.26 125.05 1qky n ASN 29 Ca -0.27 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1qky n ASN 29 Cb 0.51 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 37.01 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 -4.46 -0.92 -3.69 3.52 4.81 -1.26 -4.93 118.16 111.22 1qky n LYS 30 Ca -0.29 0.18 -0.36 0.00 -0.87 0.00 0.00 58.31 56.97 1qky n LYS 30 Cb 0.68 -4.02 -0.08 0.00 0.02 0.00 0.00 35.03 31.64 1qky n LYS 30 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1qky s SER 31 N -1.53 6.29 0.46 3.14 0.01 0.85 -0.31 113.70 122.60 1qky s SER 31 Ca 0.00 0.33 -0.23 0.00 1.31 0.00 0.00 55.95 57.36 1qky s SER 31 Cb 0.00 -2.11 -0.07 0.00 0.21 0.00 0.00 66.02 64.04 1qky s SER 31 CO 0.00 0.18 1.17 0.00 0.41 0.00 0.00 173.24 175.00 1qky s LYS 33 N -2.68 -0.03 -0.11 0.00 -0.14 0.63 -4.75 119.74 112.66 1qky s LYS 33 Ca 0.63 0.32 -0.08 0.00 -1.36 0.00 0.00 55.97 55.48 1qky s LYS 33 Cb -0.29 -0.74 -0.04 0.00 -1.68 0.00 0.00 37.83 35.07 1qky s LYS 33 CO 0.36 -0.40 0.18 0.00 -0.76 0.00 0.00 175.35 174.72 1qky h TYR 35 N 5.17 0.00 0.00 0.00 0.05 -1.02 -3.48 116.97 117.68 1qky h TYR 35 Ca -0.53 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.25 1qky h TYR 35 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 1qky h TYR 35 CO 0.73 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.25 1qky n GLY 36 N 1.18 -0.29 3.79 3.88 0.00 -1.24 -4.99 105.19 107.52 1qky n GLY 36 Ca 0.04 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 1qky n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32