#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 4.90 -0.12 1.61 0.02 -0.68 -4.54 114.94 116.13 1qhk s ASN 7 Ca 0.00 -0.84 -0.05 0.00 -1.02 0.00 0.00 52.86 50.96 1qhk s ASN 7 Cb 0.00 -0.51 -0.04 0.00 0.02 0.00 0.00 41.25 40.72 1qhk s ASN 7 CO 0.00 -0.65 0.05 -0.36 0.02 0.00 0.00 177.10 176.16 1qhk s PHE 8 N -2.51 3.28 -0.11 2.20 0.08 0.34 0.11 117.98 121.37 1qhk s PHE 8 Ca 0.46 0.21 -0.03 0.00 0.12 0.00 0.00 56.93 57.70 1qhk s PHE 8 Cb -0.02 -1.91 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 1qhk s PHE 8 CO 0.27 0.42 0.04 -0.47 -0.10 0.00 0.00 175.22 175.38 1qhk s TYR 9 N -0.53 0.47 -0.89 0.36 6.14 -0.60 0.37 117.35 122.66 1qhk s TYR 9 Ca 0.10 -0.22 -0.24 0.00 0.64 0.00 0.00 57.07 57.35 1qhk s TYR 9 Cb -0.12 -0.73 0.05 0.00 0.42 0.00 0.00 41.96 41.57 1qhk s TYR 9 CO 0.02 -0.39 1.36 0.00 0.64 0.00 0.00 175.55 177.18 1qhk s ALA 10 N 2.04 2.76 0.00 3.97 0.00 -0.08 -0.70 121.76 129.76 1qhk s ALA 10 Ca 0.03 -1.91 -0.00 0.00 0.00 0.00 0.00 51.96 50.08 1qhk s ALA 10 Cb -0.14 -4.39 -0.00 0.00 0.00 0.00 0.00 23.12 18.59 1qhk s ALA 10 CO -0.06 -3.44 0.01 0.08 0.00 0.00 0.00 175.76 172.34 1qhk s VAL 11 N 5.18 0.03 0.00 0.00 1.01 0.20 0.47 120.40 127.28 1qhk s VAL 11 Ca 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1qhk s VAL 11 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.26 1qhk s VAL 11 CO 0.01 -0.11 0.00 -1.14 0.00 0.00 0.00 175.10 173.85 1qhk n ARG 12 N 2.73 0.00 0.00 2.72 3.00 -1.26 -0.49 116.66 123.35 1qhk n ARG 12 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 1qhk n ARG 12 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 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 0.00 0.00 -3.33 -0.14 4.76 -1.26 -3.59 118.16 114.60 1qhk n LYS 13 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1qhk n LYS 13 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1qhk n LYS 13 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qhk n GLY 14 N 0.00 4.38 0.00 0.72 0.00 -1.26 -4.60 105.19 104.43 1qhk n GLY 14 Ca 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 46.02 43.56 1qhk n GLY 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qhk n ARG 15 N 0.89 0.00 -2.57 1.61 0.63 -1.26 -4.98 116.66 110.99 1qhk n ARG 15 Ca 0.28 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.09 1qhk n ARG 15 Cb 0.44 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.38 1qhk n ARG 15 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1qhk n GLU 16 N -0.83 2.21 -1.37 -0.14 1.02 -1.24 -5.10 120.64 115.20 1qhk n GLU 16 Ca 0.00 -3.73 -0.47 0.00 -0.02 0.00 0.00 57.16 52.94 1qhk n GLU 16 Cb 0.00 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 1qhk n GLU 16 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1qhk n THR 17 N -0.43 1.94 -4.60 2.62 5.66 -1.25 -4.59 114.28 113.63 1qhk n THR 17 Ca 0.20 -0.48 -0.29 0.00 -3.05 0.00 0.00 64.05 60.43 1qhk n THR 17 Cb 0.81 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.52 1qhk n THR 17 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1qhk s GLY 18 N -0.97 2.85 -0.16 1.09 0.00 0.35 -4.85 107.32 105.63 1qhk s GLY 18 Ca 0.63 -0.82 -0.04 0.00 0.00 0.00 0.00 44.72 44.48 1qhk s GLY 18 CO 0.55 -1.93 0.07 -0.42 0.00 0.00 0.00 173.10 171.36 1qhk s ILE 19 N -3.10 0.11 0.85 0.90 1.01 -1.24 0.58 121.20 120.32 1qhk s ILE 19 Ca 0.16 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.49 1qhk s ILE 19 Cb 0.01 -0.68 0.15 0.00 0.01 0.00 0.00 42.46 41.95 1qhk s ILE 19 CO 0.11 -0.20 1.18 -0.31 0.00 0.00 0.00 174.94 175.71 1qhk s TYR 20 N 2.05 1.82 -0.44 3.97 2.02 0.13 -4.73 117.35 122.16 1qhk s TYR 20 Ca 0.01 0.16 0.07 0.00 -0.37 0.00 0.00 57.07 56.95 1qhk s TYR 20 Cb -0.16 -3.62 0.33 0.00 -0.40 0.00 0.00 41.96 38.10 1qhk s TYR 20 CO -0.08 -2.16 1.05 -1.71 -1.57 0.00 0.00 175.55 171.08 1qhk n ASN 21 N -3.35 -1.79 -3.64 2.29 4.05 -1.10 -1.56 115.26 110.15 1qhk n ASN 21 Ca 0.14 -3.59 -0.09 0.00 0.45 0.00 0.00 54.58 51.49 1qhk n ASN 21 Cb 0.60 1.49 -0.02 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 -0.20 0.00 -0.10 -0.44 2.01 0.30 -4.52 115.64 112.69 1qhk s THR 22 Ca 0.25 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.48 1qhk s THR 22 Cb 0.30 -1.51 -0.26 0.00 0.01 0.00 0.00 72.50 71.05 1qhk s THR 22 CO -0.06 0.00 0.88 -0.25 -0.69 0.00 0.00 174.62 174.50 1qhk h TRP 23 N 2.00 0.12 0.58 4.92 -0.00 -1.84 -1.74 115.95 119.99 1qhk h TRP 23 Ca -0.26 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.89 58.52 1qhk h TRP 23 Cb 1.28 -0.01 0.01 0.00 -0.00 0.00 0.00 29.16 30.44 1qhk h TRP 23 CO 0.33 0.99 -0.28 -0.91 -0.00 0.00 0.00 178.44 178.57 1qhk h ASN 24 N -0.78 -0.66 -0.96 2.65 4.21 -1.97 -2.67 115.58 115.40 1qhk h ASN 24 Ca -0.02 -0.04 0.30 0.00 1.21 0.00 0.00 56.30 57.75 1qhk h ASN 24 Cb 1.05 0.17 -0.15 0.00 -1.12 0.00 0.00 38.32 38.26 1qhk h ASN 24 CO 0.03 -0.32 0.42 -0.33 -1.29 0.00 0.00 177.43 175.94 1qhk h GLU 25 N -1.01 0.22 0.00 0.81 4.39 -1.95 0.99 114.58 118.02 1qhk h GLU 25 Ca -0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1qhk h GLU 25 Cb 0.66 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1qhk h GLU 25 CO 0.13 0.14 0.00 0.00 -1.16 0.00 0.00 179.01 178.12 1qhk h LYS 27 N 0.00 -0.08 -0.90 0.00 1.79 -1.30 0.40 116.57 116.48 1qhk h LYS 27 Ca 0.00 0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.72 1qhk h LYS 27 Cb 0.00 0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 30.52 1qhk h LYS 27 CO 0.00 -0.06 0.25 -0.97 -1.08 0.00 0.00 179.45 177.59 1qhk h ASN 28 N -0.09 0.01 0.68 0.86 -1.24 0.95 1.20 115.58 117.95 1qhk h ASN 28 Ca 0.29 0.20 -0.14 0.00 0.71 0.00 0.00 56.30 57.37 1qhk h ASN 28 Cb 0.56 0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.86 1qhk h ASN 28 CO -0.76 -0.18 -0.65 1.56 -1.29 0.00 0.00 177.43 176.12 1qhk h GLN 29 N 0.19 0.00 -1.92 6.67 7.50 0.19 -3.38 115.11 124.35 1qhk h GLN 29 Ca 0.57 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 59.22 1qhk h GLN 29 Cb 1.19 0.00 -0.34 0.00 0.05 0.00 0.00 27.48 28.37 1qhk h GLN 29 CO -0.67 0.65 -0.94 1.33 -1.50 0.00 0.00 178.83 177.70 1qhk n VAL 30 N -3.74 -0.83 -0.03 -0.54 0.24 0.35 -4.91 118.33 108.88 1qhk n VAL 30 Ca -0.01 -3.22 0.00 0.00 -2.04 0.00 0.00 64.34 59.07 1qhk n VAL 30 Cb 0.65 -1.24 -0.08 0.00 -1.47 0.00 0.00 33.84 31.70 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 2.29 2.68 -2.64 -1.34 -0.08 0.20 -4.52 116.55 113.15 1qhk n ASP 31 Ca 0.24 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.35 1qhk n ASP 31 Cb 0.52 1.09 0.01 0.00 2.34 0.00 0.00 41.12 45.07 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 2.18 3.60 3.07 0.27 0.00 -1.26 -5.04 105.19 108.01 1qhk n GLY 32 Ca -0.09 -1.97 -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 -3.26 2.73 0.00 1.61 1.51 -1.26 -5.04 117.35 113.64 1qhk s TYR 33 Ca 0.37 -1.72 0.00 0.00 -1.01 0.00 0.00 57.07 54.71 1qhk s TYR 33 Cb 0.42 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1qhk s TYR 33 CO -0.07 -0.79 0.95 0.41 -1.11 0.00 0.00 175.55 174.94 1qhk n GLY 34 N 4.61 -2.63 2.33 0.71 0.00 -1.26 -4.03 105.19 104.92 1qhk n GLY 34 Ca -0.18 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.96 5.79 3.14 -0.02 0.00 -1.26 -5.08 105.19 106.80 1qhk n GLY 35 Ca 0.00 -2.60 -0.29 0.00 0.00 0.00 0.00 46.02 43.13 1qhk n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhk n ALA 36 N -0.55 -3.34 -0.00 4.61 0.00 -1.26 -4.91 120.51 115.07 1qhk n ALA 36 Ca 0.38 -1.22 -0.20 0.00 0.00 0.00 0.00 53.44 52.41 1qhk n ALA 36 Cb 0.78 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 1qhk n ALA 36 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1qhk h ILE 37 N -2.04 1.34 0.00 0.00 -0.00 -1.97 -3.48 117.51 111.35 1qhk h ILE 37 Ca -0.42 -2.42 0.00 0.00 -0.00 0.00 0.00 64.86 62.02 1qhk h ILE 37 Cb 1.17 2.97 0.00 0.00 -0.00 0.00 0.00 36.82 40.96 1qhk h ILE 37 CO 0.28 0.65 0.00 0.00 -0.00 0.00 0.00 178.15 179.08 1qhk n TYR 38 N -4.17 0.00 -3.62 2.19 4.11 -1.26 -4.85 117.16 109.56 1qhk n TYR 38 Ca -0.19 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.32 1qhk n TYR 38 Cb 0.78 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 40.04 1qhk n TYR 38 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1qhk s LYS 39 N 0.00 2.68 0.48 -3.48 -0.14 0.18 -4.96 119.74 114.50 1qhk s LYS 39 Ca 0.00 -2.32 -0.21 0.00 -1.36 0.00 0.00 55.97 52.08 1qhk s LYS 39 Cb 0.00 -3.88 -0.10 0.00 -1.68 0.00 0.00 37.83 32.17 1qhk s LYS 39 CO 0.00 -1.19 0.70 1.17 -0.76 0.00 0.00 175.35 175.28 1qhk n LYS 40 N 3.93 0.79 -3.74 1.68 0.00 -1.26 -0.90 118.16 118.65 1qhk n LYS 40 Ca 0.05 0.29 -0.09 0.00 0.00 0.00 0.00 58.31 58.56 1qhk n LYS 40 Cb 0.40 -1.77 -0.03 0.00 0.00 0.00 0.00 35.03 33.63 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 -1.50 -0.22 -0.30 5.64 0.08 0.16 -4.73 117.98 117.11 1qhk s PHE 41 Ca 0.66 -0.15 0.19 0.00 0.12 0.00 0.00 56.93 57.75 1qhk s PHE 41 Cb -0.52 0.57 0.47 0.00 -0.57 0.00 0.00 43.02 42.96 1qhk s PHE 41 CO 0.55 -1.06 1.02 0.09 -0.10 0.00 0.00 175.22 175.73 1qhk n ASN 42 N -0.41 1.34 0.00 1.36 4.13 -1.26 -0.50 115.26 119.92 1qhk n ASN 42 Ca -0.08 -2.48 0.00 0.00 1.68 0.00 0.00 54.58 53.70 1qhk n ASN 42 Cb 0.61 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1qhk n ASN 42 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1qhk n SER 43 N -0.27 0.00 -0.58 6.41 2.88 -1.26 -4.92 113.62 115.89 1qhk n SER 43 Ca 0.08 0.00 0.44 0.00 -1.33 0.00 0.00 58.87 58.06 1qhk n SER 43 Cb 0.82 0.00 0.68 0.00 -0.75 0.00 0.00 64.21 64.96 1qhk n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qhk n TYR 44 N 0.00 0.00 -0.14 0.66 4.19 -1.26 0.19 117.16 120.80 1qhk n TYR 44 Ca 0.00 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.10 1qhk n TYR 44 Cb 0.00 -0.41 -0.02 0.00 0.49 0.00 0.00 39.34 39.40 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 0.05 2.98 4.39 -1.96 0.59 114.58 121.39 1qhk h GLU 45 Ca 0.78 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 60.19 1qhk h GLU 45 Cb 3.20 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.81 1qhk h GLU 45 CO -0.01 0.89 -0.02 1.96 -1.16 0.00 0.00 179.01 180.66 1qhk h GLN 46 N 0.58 -0.07 -0.14 2.33 4.20 0.16 0.14 115.11 122.32 1qhk h GLN 46 Ca 0.10 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.87 1qhk h GLN 46 Cb 0.59 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.33 1qhk h GLN 46 CO 0.04 0.48 -0.22 0.00 -0.67 0.00 0.00 178.83 178.45 1qhk h ALA 47 N -0.35 -0.18 -0.64 3.87 0.00 -1.36 -0.25 119.26 120.36 1qhk h ALA 47 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1qhk h ALA 47 Cb 0.57 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1qhk h ALA 47 CO 0.01 -0.68 0.41 -0.22 0.00 0.00 0.00 179.25 178.78 1qhk h LYS 48 N -0.28 0.81 -0.64 0.00 1.63 0.09 0.88 116.57 119.07 1qhk h LYS 48 Ca 0.10 -0.05 0.13 0.00 -0.85 0.00 0.00 60.65 59.98 1qhk h LYS 48 Cb 0.43 -0.18 -0.12 0.00 -0.60 0.00 0.00 32.23 31.75 1qhk h LYS 48 CO -0.30 0.54 -0.15 1.03 -3.45 0.00 0.00 179.45 177.12 1qhk h SER 49 N 0.83 -0.57 1.32 4.20 0.87 0.72 0.22 113.55 121.14 1qhk h SER 49 Ca 0.24 0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.90 1qhk h SER 49 Cb -0.05 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1qhk h SER 49 CO -0.07 -0.21 -0.46 -0.26 -0.53 0.00 0.00 176.83 175.31 1qhk h PHE 50 N 0.01 0.00 0.00 2.24 0.04 -0.60 -3.38 116.94 115.26 1qhk h PHE 50 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1qhk h PHE 50 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1qhk h PHE 50 CO -0.51 0.46 0.00 1.28 -0.60 0.00 0.00 178.31 178.94 1qhk n LEU 51 N -3.30 0.00 0.00 1.54 4.32 0.77 -5.11 117.00 115.22 1qhk n LEU 51 Ca 0.01 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1qhk n LEU 51 Cb 0.67 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.47 1qhk n LEU 51 CO 0.39 0.00 0.10 0.61 -1.22 0.00 0.00 177.39 177.27