#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhk n ASN 7 N 0.00 -0.02 -4.91 1.61 3.02 -0.71 -4.73 115.26 109.51 1qhk n ASN 7 Ca 0.00 -1.01 -0.32 0.00 -0.03 0.00 0.00 54.58 53.22 1qhk n ASN 7 Cb 0.00 0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 1qhk n ASN 7 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1qhk s PHE 8 N -8.15 3.52 -0.21 3.10 0.40 0.14 0.11 117.98 116.90 1qhk s PHE 8 Ca 0.00 0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.61 1qhk s PHE 8 Cb -0.00 -1.81 0.09 0.00 0.51 0.00 0.00 43.02 41.81 1qhk s PHE 8 CO 0.00 0.59 0.20 -0.47 0.70 0.00 0.00 175.22 176.24 1qhk s TYR 9 N -1.47 -0.18 -0.54 0.36 6.14 -0.60 -0.96 117.35 120.08 1qhk s TYR 9 Ca 0.34 0.05 -0.28 0.00 0.64 0.00 0.00 57.07 57.81 1qhk s TYR 9 Cb -0.13 -0.45 0.03 0.00 0.42 0.00 0.00 41.96 41.83 1qhk s TYR 9 CO 0.25 -0.62 1.21 0.00 0.64 0.00 0.00 175.55 177.03 1qhk s ALA 10 N 2.29 3.03 0.08 3.97 0.00 -0.60 -0.07 121.76 130.46 1qhk s ALA 10 Ca 0.06 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 1qhk s ALA 10 Cb -0.16 -4.00 -0.02 0.00 0.00 0.00 0.00 23.12 18.94 1qhk s ALA 10 CO -0.14 -2.57 0.11 0.08 0.00 0.00 0.00 175.76 173.24 1qhk s VAL 11 N 4.93 0.16 0.00 0.00 1.01 0.75 0.42 120.40 127.66 1qhk s VAL 11 Ca 0.46 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1qhk s VAL 11 Cb -0.08 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1qhk s VAL 11 CO 0.28 -0.74 0.00 -1.14 0.00 0.00 0.00 175.10 173.50 1qhk n ARG 12 N -0.01 0.00 -2.11 2.72 0.00 -1.26 0.32 116.66 116.32 1qhk n ARG 12 Ca -0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.68 1qhk n ARG 12 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.08 1qhk n ARG 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1qhk n LYS 13 N -1.64 -0.35 0.00 -0.14 5.02 -1.26 -4.93 118.16 114.86 1qhk n LYS 13 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1qhk n LYS 13 Cb 0.00 -3.81 0.00 0.00 -0.02 0.00 0.00 35.03 31.20 1qhk n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qhk n GLY 14 N -0.99 2.68 0.00 0.72 0.00 -1.26 -5.04 105.19 101.30 1qhk n GLY 14 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1qhk n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhk n ARG 15 N 0.00 0.00 0.00 1.61 1.74 -1.26 -5.03 116.66 113.72 1qhk n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1qhk n ARG 15 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1qhk n ARG 15 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qhk n GLU 16 N 0.00 1.42 -3.76 5.56 1.02 -1.26 -5.02 120.64 118.60 1qhk n GLU 16 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1qhk n GLU 16 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1qhk n GLU 16 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1qhk s THR 17 N 0.00 0.00 -0.07 2.62 -1.32 -1.26 -4.65 115.64 110.96 1qhk s THR 17 Ca 0.00 -0.71 0.02 0.00 -1.21 0.00 0.00 61.69 59.79 1qhk s THR 17 Cb 0.00 -1.88 0.02 0.00 -1.51 0.00 0.00 72.50 69.13 1qhk s THR 17 CO 0.00 0.00 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.47 1qhk s GLY 18 N -2.89 0.74 -0.37 6.08 0.00 0.15 -4.81 107.32 106.21 1qhk s GLY 18 Ca 0.11 -0.36 -0.21 0.00 0.00 0.00 0.00 44.72 44.25 1qhk s GLY 18 CO 0.02 0.23 0.66 -0.42 0.00 0.00 0.00 173.10 173.60 1qhk s ILE 19 N 0.79 4.85 0.41 0.90 1.01 -1.22 -0.18 121.20 127.76 1qhk s ILE 19 Ca -0.12 0.55 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 1qhk s ILE 19 Cb -0.15 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.29 1qhk s ILE 19 CO 0.02 -0.39 0.56 -1.22 0.00 0.00 0.00 174.94 173.91 1qhk n TYR 20 N 6.16 -3.86 -2.73 3.97 4.01 0.90 -4.62 117.16 121.00 1qhk n TYR 20 Ca -0.01 -0.56 -0.08 0.00 -0.16 0.00 0.00 57.90 57.09 1qhk n TYR 20 Cb 0.48 -0.43 0.08 0.00 -0.31 0.00 0.00 39.34 39.16 1qhk n TYR 20 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1qhk n ASN 21 N -3.31 -2.35 -3.74 7.72 4.05 -1.14 -1.56 115.26 114.93 1qhk n ASN 21 Ca 0.07 -3.43 -0.07 0.00 0.45 0.00 0.00 54.58 51.61 1qhk n ASN 21 Cb 0.26 1.83 -0.01 0.00 1.23 0.00 0.00 39.78 43.08 1qhk n ASN 21 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1qhk s THR 22 N 0.34 0.00 -0.13 -0.44 2.01 0.30 -4.68 115.64 113.04 1qhk s THR 22 Ca 0.24 -0.95 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 1qhk s THR 22 Cb 0.28 -2.11 -0.23 0.00 0.01 0.00 0.00 72.50 70.45 1qhk s THR 22 CO -0.11 0.00 0.67 -0.25 -0.69 0.00 0.00 174.62 174.25 1qhk h TRP 23 N 2.00 -0.00 0.78 4.92 -0.00 -1.85 -1.84 115.95 119.97 1qhk h TRP 23 Ca -0.21 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.64 1qhk h TRP 23 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.41 1qhk h TRP 23 CO 0.54 0.87 -0.38 -0.91 -0.00 0.00 0.00 178.44 178.56 1qhk h ASN 24 N -1.00 -0.89 -0.99 2.65 4.21 -1.97 -0.84 115.58 116.75 1qhk h ASN 24 Ca -0.00 0.03 0.33 0.00 1.21 0.00 0.00 56.30 57.87 1qhk h ASN 24 Cb 0.87 0.23 -0.16 0.00 -1.12 0.00 0.00 38.32 38.14 1qhk h ASN 24 CO 0.00 -0.53 0.52 -0.33 -1.29 0.00 0.00 177.43 175.80 1qhk h GLU 25 N -1.27 0.23 0.00 0.81 4.39 -1.95 2.13 114.58 118.92 1qhk h GLU 25 Ca -0.11 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1qhk h GLU 25 Cb 0.81 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1qhk h GLU 25 CO 0.18 0.15 0.00 0.00 -1.16 0.00 0.00 179.01 178.18 1qhk h LYS 27 N 0.00 -0.01 -0.33 0.00 1.57 -0.96 0.27 116.57 117.11 1qhk h LYS 27 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1qhk h LYS 27 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1qhk h LYS 27 CO 0.00 -0.01 -0.14 -0.97 -0.57 0.00 0.00 179.45 177.76 1qhk h ASN 28 N -0.01 -0.48 0.82 0.86 -0.73 0.34 1.30 115.58 117.68 1qhk h ASN 28 Ca 0.30 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.60 1qhk h ASN 28 Cb 0.48 0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1qhk h ASN 28 CO -0.66 -0.17 0.00 1.56 -0.37 0.00 0.00 177.43 177.78 1qhk h GLN 29 N -0.08 0.00 -1.36 6.67 1.08 0.66 -3.36 115.11 118.72 1qhk h GLN 29 Ca 0.17 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.12 1qhk h GLN 29 Cb 0.33 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.54 1qhk h GLN 29 CO -0.39 0.00 -0.60 0.14 -0.95 0.00 0.00 178.83 177.03 1qhk s VAL 30 N -3.71 -0.67 -0.26 -0.54 -7.23 0.15 -5.05 120.40 103.09 1qhk s VAL 30 Ca 0.00 -1.24 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1qhk s VAL 30 Cb 0.10 -0.31 0.06 0.00 0.56 0.00 0.00 36.38 36.78 1qhk s VAL 30 CO 0.50 -0.31 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.28 1qhk s ASP 31 N 0.85 4.30 0.00 4.85 -1.08 0.40 -4.26 116.67 121.72 1qhk s ASP 31 Ca 0.28 -1.37 0.00 0.00 -0.52 0.00 0.00 52.55 50.94 1qhk s ASP 31 Cb -0.01 -1.45 0.00 0.00 -1.46 0.00 0.00 42.92 40.00 1qhk s ASP 31 CO -0.08 -0.21 0.00 0.61 0.52 0.00 0.00 175.17 176.01 1qhk n GLY 32 N 4.49 2.08 0.21 2.66 0.00 -1.26 -4.95 105.19 108.42 1qhk n GLY 32 Ca -0.13 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1qhk n GLY 32 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1qhk n TYR 33 N 0.00 0.00 0.18 1.61 4.11 -1.26 -4.58 117.16 117.22 1qhk n TYR 33 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.90 58.07 1qhk n TYR 33 Cb 0.00 -0.08 0.67 0.00 -0.00 0.00 0.00 39.34 39.94 1qhk n TYR 33 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 1qhk h GLY 34 N 2.48 0.00 -5.00 -7.48 0.00 -2.03 -3.30 103.07 87.74 1qhk h GLY 34 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1qhk h GLY 34 CO 0.00 0.00 0.12 0.61 0.00 0.00 0.00 176.54 177.27 1qhk n GLY 35 N -1.41 -1.78 3.81 4.60 0.00 -1.26 -5.16 105.19 104.00 1qhk n GLY 35 Ca 0.04 0.99 -0.32 0.00 0.00 0.00 0.00 46.02 46.73 1qhk n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhk s ALA 36 N 0.02 2.77 -0.02 4.61 0.00 -1.25 -5.01 121.76 122.88 1qhk s ALA 36 Ca 0.21 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.27 1qhk s ALA 36 Cb 0.28 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1qhk s ALA 36 CO -0.19 -0.80 0.65 -1.50 0.00 0.00 0.00 175.76 173.92 1qhk s ILE 37 N -2.56 4.92 -0.23 0.00 -1.16 -1.26 -5.02 121.20 115.88 1qhk s ILE 37 Ca 0.62 1.36 -0.33 0.00 -0.51 0.00 0.00 60.65 61.79 1qhk s ILE 37 Cb -0.15 -3.99 0.16 0.00 0.61 0.00 0.00 42.46 39.09 1qhk s ILE 37 CO 0.39 0.36 1.26 -0.72 -2.81 0.00 0.00 174.94 173.42 1qhk s TYR 38 N 0.13 -0.11 -0.51 3.50 -0.85 -1.26 -4.26 117.35 113.99 1qhk s TYR 38 Ca 0.34 0.13 0.03 0.00 -0.52 0.00 0.00 57.07 57.05 1qhk s TYR 38 Cb -0.18 0.50 0.15 0.00 0.38 0.00 0.00 41.96 42.81 1qhk s TYR 38 CO 0.18 -0.14 0.34 0.15 -1.52 0.00 0.00 175.55 174.56 1qhk s LYS 39 N -1.75 1.57 0.61 -3.49 3.01 0.17 -4.99 119.74 114.86 1qhk s LYS 39 Ca 0.08 -2.44 -0.18 0.00 -1.01 0.00 0.00 55.97 52.42 1qhk s LYS 39 Cb -0.01 -2.48 -0.04 0.00 -1.01 0.00 0.00 37.83 34.29 1qhk s LYS 39 CO -0.05 -1.25 1.03 1.17 0.51 0.00 0.00 175.35 176.77 1qhk n LYS 40 N 2.92 0.96 -3.53 1.68 4.81 -1.26 -1.56 118.16 122.18 1qhk n LYS 40 Ca 0.16 0.37 -0.11 0.00 -0.87 0.00 0.00 58.31 57.86 1qhk n LYS 40 Cb 0.38 -2.24 -0.03 0.00 0.02 0.00 0.00 35.03 33.16 1qhk n LYS 40 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1qhk s PHE 41 N -1.48 -0.40 -0.29 5.64 0.08 -0.14 -4.82 117.98 116.57 1qhk s PHE 41 Ca 0.77 0.14 0.15 0.00 0.12 0.00 0.00 56.93 58.10 1qhk s PHE 41 Cb -0.41 0.49 0.48 0.00 -0.57 0.00 0.00 43.02 43.01 1qhk s PHE 41 CO 0.46 -0.85 1.13 -1.71 -0.10 0.00 0.00 175.22 174.15 1qhk n ASN 42 N -0.35 3.22 0.00 1.36 5.15 -1.26 -0.69 115.26 122.70 1qhk n ASN 42 Ca -0.15 -2.93 0.00 0.00 -0.60 0.00 0.00 54.58 50.90 1qhk n ASN 42 Cb 0.64 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1qhk n ASN 42 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1qhk n SER 43 N -0.61 0.00 -0.44 1.20 7.64 -1.26 -4.98 113.62 115.17 1qhk n SER 43 Ca 0.25 0.00 0.37 0.00 1.01 0.00 0.00 58.87 60.50 1qhk n SER 43 Cb 0.87 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 64.63 1qhk n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qhk n TYR 44 N 0.00 0.00 -0.12 1.43 4.19 -1.26 0.14 117.16 121.54 1qhk n TYR 44 Ca 0.00 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.08 1qhk n TYR 44 Cb 0.00 -0.34 -0.02 0.00 0.49 0.00 0.00 39.34 39.47 1qhk n TYR 44 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1qhk h GLU 45 N 0.00 0.86 0.13 2.98 4.39 -1.97 0.56 114.58 121.52 1qhk h GLU 45 Ca 0.65 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1qhk h GLU 45 Cb 2.89 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.54 1qhk h GLU 45 CO -0.01 1.06 -0.06 1.96 -1.16 0.00 0.00 179.01 180.80 1qhk h GLN 46 N 0.66 -0.17 -0.40 2.33 4.20 0.83 -1.29 115.11 121.27 1qhk h GLN 46 Ca 0.07 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.87 1qhk h GLN 46 Cb 0.86 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.61 1qhk h GLN 46 CO 0.08 0.30 -0.05 0.00 -0.67 0.00 0.00 178.83 178.48 1qhk h ALA 47 N -0.26 0.32 0.19 3.87 0.00 -1.51 -0.88 119.26 121.00 1qhk h ALA 47 Ca -0.02 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qhk h ALA 47 Cb 0.54 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1qhk h ALA 47 CO 0.03 -0.43 -0.24 0.87 0.00 0.00 0.00 179.25 179.48 1qhk h LYS 48 N 0.05 -0.43 -1.23 0.00 1.79 0.11 0.39 116.57 117.24 1qhk h LYS 48 Ca 0.20 0.03 0.40 0.00 -2.18 0.00 0.00 60.65 59.09 1qhk h LYS 48 Cb 0.29 0.10 -0.13 0.00 -1.58 0.00 0.00 32.23 30.91 1qhk h LYS 48 CO -0.37 -0.29 0.78 1.03 -1.08 0.00 0.00 179.45 179.52 1qhk h SER 49 N -0.45 0.30 0.51 0.86 0.87 -0.87 1.46 113.55 116.22 1qhk h SER 49 Ca -0.02 0.14 -0.20 0.00 -1.23 0.00 0.00 61.79 60.47 1qhk h SER 49 Cb 0.40 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1qhk h SER 49 CO -0.06 -0.15 -0.88 0.15 -0.53 0.00 0.00 176.83 175.36 1qhk h PHE 50 N 0.15 0.38 0.00 2.24 3.04 0.13 -3.39 116.94 119.49 1qhk h PHE 50 Ca 0.78 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 62.53 1qhk h PHE 50 Cb 2.32 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 40.79 1qhk h PHE 50 CO -0.01 1.01 0.00 1.28 -2.02 0.00 0.00 178.31 178.58 1qhk n LEU 51 N -3.69 0.00 0.00 0.59 4.77 0.50 -5.08 117.00 114.09 1qhk n LEU 51 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1qhk n LEU 51 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1qhk n LEU 51 CO 0.48 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.15