#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhk s ASN 7 N 0.00 1.87 0.10 1.61 0.01 -0.77 -4.60 114.94 113.16 1qhk s ASN 7 Ca 0.00 -0.93 -0.11 0.00 -0.71 0.00 0.00 52.86 51.11 1qhk s ASN 7 Cb 0.00 -0.03 -0.06 0.00 0.41 0.00 0.00 41.25 41.56 1qhk s ASN 7 CO 0.00 -0.26 0.45 -0.36 -1.51 0.00 0.00 177.10 175.42 1qhk s PHE 8 N -2.85 3.58 -0.20 2.20 0.40 0.13 0.69 117.98 121.95 1qhk s PHE 8 Ca 0.13 0.87 -0.04 0.00 -0.60 0.00 0.00 56.93 57.29 1qhk s PHE 8 Cb -0.01 -2.22 0.09 0.00 0.51 0.00 0.00 43.02 41.39 1qhk s PHE 8 CO 0.02 0.48 0.20 -0.47 0.70 0.00 0.00 175.22 176.15 1qhk s TYR 9 N -1.43 -0.21 -0.80 0.36 6.14 -0.57 0.31 117.35 121.13 1qhk s TYR 9 Ca 0.35 0.16 -0.26 0.00 0.64 0.00 0.00 57.07 57.96 1qhk s TYR 9 Cb -0.14 -0.40 0.03 0.00 0.42 0.00 0.00 41.96 41.86 1qhk s TYR 9 CO 0.19 -0.58 1.41 0.00 0.64 0.00 0.00 175.55 177.20 1qhk s ALA 10 N 2.30 2.64 0.21 3.97 0.00 -0.32 0.01 121.76 130.57 1qhk s ALA 10 Ca 0.06 -1.53 0.09 0.00 0.00 0.00 0.00 51.96 50.58 1qhk s ALA 10 Cb -0.16 -4.34 -0.04 0.00 0.00 0.00 0.00 23.12 18.58 1qhk s ALA 10 CO -0.11 -3.50 -0.07 0.08 0.00 0.00 0.00 175.76 172.16 1qhk s VAL 11 N 6.06 3.25 0.00 0.00 1.01 -0.40 0.63 120.40 130.95 1qhk s VAL 11 Ca 0.42 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1qhk s VAL 11 Cb -0.06 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1qhk s VAL 11 CO 0.09 -0.20 0.10 -1.14 0.00 0.00 0.00 175.10 173.95 1qhk n ARG 12 N -0.26 -0.16 -3.87 2.72 0.63 -1.24 -0.63 116.66 113.85 1qhk n ARG 12 Ca -0.09 -0.10 -0.30 0.00 -0.92 0.00 0.00 57.85 56.44 1qhk n ARG 12 Cb 0.57 -0.59 -0.14 0.00 0.45 0.00 0.00 32.46 32.75 1qhk n ARG 12 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1qhk s LYS 13 N -0.01 1.47 0.00 -0.14 2.47 -1.25 -4.44 119.74 117.84 1qhk s LYS 13 Ca 0.00 -2.03 0.00 0.00 -1.56 0.00 0.00 55.97 52.38 1qhk s LYS 13 Cb 0.00 -2.83 0.00 0.00 -1.46 0.00 0.00 37.83 33.54 1qhk s LYS 13 CO 0.00 -1.06 0.00 0.41 0.16 0.00 0.00 175.35 174.86 1qhk n GLY 14 N 3.79 -1.45 0.00 5.54 0.00 -1.26 -4.87 105.19 106.94 1qhk n GLY 14 Ca 0.05 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.64 1.61 1.74 -1.26 -4.89 116.66 112.22 1qhk n ARG 15 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1qhk n ARG 15 Cb 0.00 -0.17 0.01 0.00 -1.02 0.00 0.00 32.46 31.27 1qhk n ARG 15 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1qhk n GLU 16 N -0.06 0.37 -1.34 5.56 -0.00 -1.26 -5.09 120.64 118.81 1qhk n GLU 16 Ca 0.00 -1.81 0.00 0.00 -0.00 0.00 0.00 57.16 55.35 1qhk n GLU 16 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 31.44 31.42 1qhk n GLU 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1qhk n THR 17 N -0.01 -5.75 0.00 3.84 -1.04 -1.26 -5.03 114.28 105.03 1qhk n THR 17 Ca -0.07 1.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.99 1qhk n THR 17 Cb 0.93 -3.83 0.00 0.00 -1.82 0.00 0.00 70.33 65.61 1qhk n THR 17 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qhk n GLY 18 N 0.60 0.69 3.63 3.41 0.00 0.20 -4.96 105.19 108.76 1qhk n GLY 18 Ca 0.00 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1qhk n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qhk s ILE 19 N -2.00 5.07 0.76 -0.61 1.01 -1.25 -1.27 121.20 122.90 1qhk s ILE 19 Ca 0.00 0.95 -0.10 0.00 0.00 0.00 0.00 60.65 61.50 1qhk s ILE 19 Cb 0.00 -3.85 0.17 0.00 0.01 0.00 0.00 42.46 38.79 1qhk s ILE 19 CO 0.00 0.11 1.03 -1.22 0.00 0.00 0.00 174.94 174.86 1qhk n TYR 20 N 5.31 -3.76 -2.72 3.97 4.01 0.10 -4.67 117.16 119.40 1qhk n TYR 20 Ca -0.04 -1.09 -0.08 0.00 -0.16 0.00 0.00 57.90 56.54 1qhk n TYR 20 Cb 0.50 -0.79 0.09 0.00 -0.31 0.00 0.00 39.34 38.83 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 -3.52 -2.22 -3.45 7.72 5.15 -1.01 -1.52 115.26 116.41 1qhk n ASN 21 Ca 0.14 -3.31 -0.13 0.00 -0.60 0.00 0.00 54.58 50.68 1qhk n ASN 21 Cb 0.48 1.77 -0.03 0.00 -0.53 0.00 0.00 39.78 41.47 1qhk n ASN 21 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1qhk s THR 22 N 0.29 0.00 0.05 -0.44 2.01 0.22 -4.38 115.64 113.38 1qhk s THR 22 Ca 0.23 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.08 1qhk s THR 22 Cb 0.28 -1.00 -0.31 0.00 0.01 0.00 0.00 72.50 71.48 1qhk s THR 22 CO -0.10 0.00 1.07 -0.25 -0.69 0.00 0.00 174.62 174.64 1qhk h TRP 23 N 2.20 1.02 0.46 4.92 7.01 -1.82 -1.96 115.95 127.77 1qhk h TRP 23 Ca -0.32 -0.67 -0.02 0.00 2.11 0.00 0.00 58.89 59.99 1qhk h TRP 23 Cb 1.27 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 1qhk h TRP 23 CO 0.26 1.51 -0.22 -0.97 -2.79 0.00 0.00 178.44 176.23 1qhk h ASN 24 N 0.23 -0.52 -1.16 2.65 -0.73 -1.96 -2.58 115.58 111.51 1qhk h ASN 24 Ca -0.21 -0.07 0.34 0.00 1.87 0.00 0.00 56.30 58.23 1qhk h ASN 24 Cb 2.01 0.13 -0.11 0.00 0.27 0.00 0.00 38.32 40.62 1qhk h ASN 24 CO 0.25 -0.11 0.75 -0.33 -0.37 0.00 0.00 177.43 177.62 1qhk h GLU 25 N -1.06 0.24 0.00 6.67 4.39 -1.95 0.96 114.58 123.83 1qhk h GLU 25 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1qhk h GLU 25 Cb 0.56 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1qhk h GLU 25 CO 0.10 0.16 0.00 0.00 -1.16 0.00 0.00 179.01 178.11 1qhk h LYS 27 N 0.00 -0.05 -0.82 0.00 6.56 -1.22 0.75 116.57 121.78 1qhk h LYS 27 Ca 0.00 0.00 0.20 0.00 -1.06 0.00 0.00 60.65 59.80 1qhk h LYS 27 Cb 0.00 0.01 -0.14 0.00 -0.57 0.00 0.00 32.23 31.54 1qhk h LYS 27 CO 0.00 -0.04 0.11 -0.97 -2.06 0.00 0.00 179.45 176.49 1qhk h ASN 28 N -0.06 -0.20 0.88 0.86 -1.24 0.88 2.52 115.58 119.22 1qhk h ASN 28 Ca 0.31 0.20 -0.12 0.00 0.71 0.00 0.00 56.30 57.40 1qhk h ASN 28 Cb 0.58 0.31 -0.02 0.00 0.73 0.00 0.00 38.32 39.93 1qhk h ASN 28 CO -0.88 -0.17 -0.57 1.56 -1.29 0.00 0.00 177.43 176.08 1qhk h GLN 29 N 0.15 0.00 -1.06 6.67 1.08 0.31 -3.38 115.11 118.88 1qhk h GLN 29 Ca 0.48 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 57.29 1qhk h GLN 29 Cb 0.90 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 28.06 1qhk h GLN 29 CO -0.67 0.57 -0.83 1.33 -0.95 0.00 0.00 178.83 178.28 1qhk n VAL 30 N -3.55 -0.24 -0.01 -0.54 0.24 0.22 -4.91 118.33 109.54 1qhk n VAL 30 Ca -0.00 -2.97 0.00 0.00 -2.04 0.00 0.00 64.34 59.34 1qhk n VAL 30 Cb 0.64 0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 33.06 1qhk n VAL 30 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1qhk n ASP 31 N 0.97 3.87 -2.49 -1.34 -0.08 0.79 -4.55 116.55 113.72 1qhk n ASP 31 Ca 0.16 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.28 1qhk n ASP 31 Cb 0.62 0.95 0.02 0.00 2.34 0.00 0.00 41.12 45.05 1qhk n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qhk n GLY 32 N 2.45 4.08 3.08 0.27 0.00 -1.26 -5.02 105.19 108.79 1qhk n GLY 32 Ca -0.04 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1qhk n GLY 32 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qhk s TYR 33 N -3.51 3.37 -0.14 1.61 1.51 -1.26 -4.99 117.35 113.94 1qhk s TYR 33 Ca 0.39 -2.39 -0.05 0.00 -1.01 0.00 0.00 57.07 54.01 1qhk s TYR 33 Cb 0.40 -2.18 -0.20 0.00 -0.11 0.00 0.00 41.96 39.87 1qhk s TYR 33 CO -0.04 -0.88 2.95 0.41 -1.11 0.00 0.00 175.55 176.87 1qhk n GLY 34 N 4.43 2.71 0.00 0.71 0.00 -1.26 -3.60 105.19 108.17 1qhk n GLY 34 Ca -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1qhk n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhk n GLY 35 N 2.71 0.40 3.78 -0.02 0.00 -1.26 -5.14 105.19 105.67 1qhk n GLY 35 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.62 2.46 -0.04 4.61 0.00 -1.24 -5.00 121.76 121.93 1qhk s ALA 36 Ca 0.00 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 1qhk s ALA 36 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1qhk s ALA 36 CO 0.00 -1.38 0.65 -1.50 0.00 0.00 0.00 175.76 173.53 1qhk s ILE 37 N -2.67 4.99 -0.27 0.00 -1.16 -1.26 -5.02 121.20 115.81 1qhk s ILE 37 Ca 0.63 1.34 -0.34 0.00 -0.51 0.00 0.00 60.65 61.78 1qhk s ILE 37 Cb -0.18 -3.99 0.17 0.00 0.61 0.00 0.00 42.46 39.08 1qhk s ILE 37 CO 0.48 0.32 1.34 -0.72 -2.81 0.00 0.00 174.94 173.55 1qhk s TYR 38 N 0.39 -0.05 -0.45 3.50 -0.85 -1.26 -3.71 117.35 114.92 1qhk s TYR 38 Ca 0.34 0.06 0.05 0.00 -0.52 0.00 0.00 57.07 57.00 1qhk s TYR 38 Cb -0.18 0.50 0.18 0.00 0.38 0.00 0.00 41.96 42.84 1qhk s TYR 38 CO 0.17 -0.06 0.39 1.63 -1.52 0.00 0.00 175.55 176.16 1qhk n LYS 39 N 0.24 0.50 -0.74 -3.49 4.01 0.20 -5.00 118.16 113.88 1qhk n LYS 39 Ca 0.02 -3.38 -0.32 0.00 -0.51 0.00 0.00 58.31 54.12 1qhk n LYS 39 Cb 0.58 -1.71 0.14 0.00 -0.51 0.00 0.00 35.03 33.53 1qhk n LYS 39 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1qhk n LYS 40 N 2.54 -0.40 -3.89 1.97 -0.00 -1.26 -1.17 118.16 115.95 1qhk n LYS 40 Ca 0.28 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.31 58.44 1qhk n LYS 40 Cb 0.47 -2.05 -0.02 0.00 -0.00 0.00 0.00 35.03 33.43 1qhk n LYS 40 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1qhk s PHE 41 N -2.48 -0.00 -0.23 5.58 0.08 0.15 -4.65 117.98 116.43 1qhk s PHE 41 Ca 0.61 -0.46 0.15 0.00 0.12 0.00 0.00 56.93 57.34 1qhk s PHE 41 Cb -0.22 0.60 0.46 0.00 -0.57 0.00 0.00 43.02 43.30 1qhk s PHE 41 CO 0.64 -1.23 1.17 -1.71 -0.10 0.00 0.00 175.22 173.99 1qhk n ASN 42 N -0.60 2.87 0.00 1.36 2.85 -1.26 -0.69 115.26 119.78 1qhk n ASN 42 Ca -0.04 -3.09 0.00 0.00 -0.11 0.00 0.00 54.58 51.34 1qhk n ASN 42 Cb 0.60 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.21 1qhk n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1qhk n SER 43 N -0.60 0.00 -0.39 1.20 7.64 -1.26 -4.91 113.62 115.30 1qhk n SER 43 Ca 0.24 0.00 0.31 0.00 1.01 0.00 0.00 58.87 60.43 1qhk n SER 43 Cb 0.89 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.58 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 0.21 -0.16 1.43 4.19 -1.26 0.22 117.16 121.79 1qhk n TYR 44 Ca 0.00 0.21 -0.10 0.00 3.31 0.00 0.00 57.90 61.33 1qhk n TYR 44 Cb 0.00 -0.56 -0.00 0.00 0.49 0.00 0.00 39.34 39.26 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 0.76 0.17 2.98 5.08 -1.97 0.93 114.58 122.53 1qhk h GLU 45 Ca 0.59 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1qhk h GLU 45 Cb 2.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1qhk h GLU 45 CO -0.14 0.78 -0.08 1.96 -1.00 0.00 0.00 179.01 180.53 1qhk h GLN 46 N 0.62 -0.22 -0.10 2.33 4.20 0.22 -1.35 115.11 120.81 1qhk h GLN 46 Ca 0.14 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.90 1qhk h GLN 46 Cb 0.40 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1qhk h GLN 46 CO 0.01 0.20 -0.24 0.00 -0.67 0.00 0.00 178.83 178.13 1qhk h ALA 47 N -0.09 -0.25 -0.03 3.87 0.00 -1.42 -0.80 119.26 120.54 1qhk h ALA 47 Ca -0.02 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1qhk h ALA 47 Cb 0.52 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1qhk h ALA 47 CO 0.04 -0.71 -0.16 0.87 0.00 0.00 0.00 179.25 179.29 1qhk h LYS 48 N -0.32 -0.17 -1.23 0.00 1.79 0.93 0.75 116.57 118.32 1qhk h LYS 48 Ca 0.09 0.01 0.43 0.00 -2.18 0.00 0.00 60.65 59.00 1qhk h LYS 48 Cb 0.46 0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 31.00 1qhk h LYS 48 CO -0.28 -0.11 0.76 1.03 -1.08 0.00 0.00 179.45 179.77 1qhk h SER 49 N -0.17 0.28 0.60 0.86 0.87 -0.97 2.01 113.55 117.03 1qhk h SER 49 Ca 0.01 0.17 -0.20 0.00 -1.23 0.00 0.00 61.79 60.54 1qhk h SER 49 Cb 0.20 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1qhk h SER 49 CO -0.12 -0.24 -0.88 -0.26 -0.53 0.00 0.00 176.83 174.80 1qhk h PHE 50 N 0.08 0.27 0.00 2.24 -1.00 0.80 -3.38 116.94 115.95 1qhk h PHE 50 Ca 0.83 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 61.46 1qhk h PHE 50 Cb 2.45 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.98 1qhk h PHE 50 CO -0.01 0.97 0.00 1.28 -1.61 0.00 0.00 178.31 178.94 1qhk n LEU 51 N -3.65 0.00 0.00 1.54 4.77 0.68 -5.08 117.00 115.26 1qhk n LEU 51 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1qhk n LEU 51 Cb 0.81 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1qhk n LEU 51 CO 0.48 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.15