#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 0.00 -4.82 1.61 5.03 -0.67 -4.63 115.26 111.78 1qhk n ASN 7 Ca 0.00 -0.93 -0.36 0.00 0.87 0.00 0.00 54.58 54.16 1qhk n ASN 7 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.69 1qhk n ASN 7 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1qhk s PHE 8 N -6.55 3.44 -0.20 3.10 0.40 0.24 0.12 117.98 118.53 1qhk s PHE 8 Ca 0.00 0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 56.67 1qhk s PHE 8 Cb 0.00 -1.86 0.07 0.00 0.51 0.00 0.00 43.02 41.74 1qhk s PHE 8 CO 0.00 0.64 0.10 -0.47 0.70 0.00 0.00 175.22 176.19 1qhk s TYR 9 N -1.04 0.23 -0.92 0.36 6.14 -0.53 -0.65 117.35 120.93 1qhk s TYR 9 Ca 0.17 -0.46 -0.24 0.00 0.64 0.00 0.00 57.07 57.18 1qhk s TYR 9 Cb -0.12 -0.75 0.04 0.00 0.42 0.00 0.00 41.96 41.55 1qhk s TYR 9 CO 0.06 -0.59 1.43 0.00 0.64 0.00 0.00 175.55 177.10 1qhk s ALA 10 N 2.13 2.66 0.22 3.97 0.00 -0.31 0.37 121.76 130.79 1qhk s ALA 10 Ca 0.04 -1.93 0.11 0.00 0.00 0.00 0.00 51.96 50.18 1qhk s ALA 10 Cb -0.16 -4.45 -0.05 0.00 0.00 0.00 0.00 23.12 18.47 1qhk s ALA 10 CO -0.16 -3.59 -0.20 0.08 0.00 0.00 0.00 175.76 171.89 1qhk s VAL 11 N 5.55 2.54 -0.05 0.00 1.01 0.64 0.47 120.40 130.55 1qhk s VAL 11 Ca 0.44 -2.11 0.02 0.00 0.00 0.00 0.00 61.98 60.34 1qhk s VAL 11 Cb -0.03 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.15 1qhk s VAL 11 CO -0.02 -0.22 0.58 -1.14 0.00 0.00 0.00 175.10 174.31 1qhk n ARG 12 N -0.10 0.22 -1.52 2.72 0.63 -1.26 -0.00 116.66 117.34 1qhk n ARG 12 Ca -0.10 -0.36 -0.16 0.00 -0.92 0.00 0.00 57.85 56.32 1qhk n ARG 12 Cb 0.57 0.32 -0.12 0.00 0.45 0.00 0.00 32.46 33.68 1qhk n ARG 12 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1qhk n LYS 13 N -0.25 0.34 -4.34 -0.14 0.00 -1.26 -2.83 118.16 109.67 1qhk n LYS 13 Ca -0.07 -0.60 -0.35 0.00 0.00 0.00 0.00 58.31 57.28 1qhk n LYS 13 Cb 0.51 -2.77 -0.08 0.00 0.00 0.00 0.00 35.03 32.70 1qhk n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qhk n GLY 14 N 6.28 -0.26 3.32 3.14 0.00 -1.26 -4.90 105.19 111.51 1qhk n GLY 14 Ca 0.52 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.54 1qhk n GLY 14 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qhk s ARG 15 N -7.19 0.85 -1.38 1.61 6.06 -1.13 -5.06 118.95 112.72 1qhk s ARG 15 Ca 0.37 -0.23 -0.15 0.00 -2.50 0.00 0.00 55.73 53.22 1qhk s ARG 15 Cb -0.21 0.38 0.02 0.00 0.06 0.00 0.00 34.95 35.20 1qhk s ARG 15 CO 0.99 -0.27 2.16 -1.91 -2.50 0.00 0.00 175.30 173.77 1qhk n GLU 16 N 0.82 2.74 0.00 5.12 2.13 -1.26 -4.67 120.64 125.51 1qhk n GLU 16 Ca -0.20 -2.58 0.00 0.00 0.66 0.00 0.00 57.16 55.04 1qhk n GLU 16 Cb 0.58 -3.27 0.00 0.00 0.27 0.00 0.00 31.44 29.02 1qhk n GLU 16 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1qhk n THR 17 N 5.31 0.00 0.00 6.31 -2.24 -1.26 -5.12 114.28 117.28 1qhk n THR 17 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1qhk n THR 17 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1qhk n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qhk n GLY 18 N 4.77 0.65 3.68 3.38 0.00 0.99 -5.00 105.19 113.65 1qhk n GLY 18 Ca 0.00 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.93 4.84 0.51 -0.61 1.01 -1.24 -0.26 121.20 123.52 1qhk s ILE 19 Ca 0.00 1.77 0.03 0.00 0.00 0.00 0.00 60.65 62.45 1qhk s ILE 19 Cb 0.00 -4.20 0.10 0.00 0.01 0.00 0.00 42.46 38.37 1qhk s ILE 19 CO 0.00 0.01 0.70 -1.22 0.00 0.00 0.00 174.94 174.44 1qhk n TYR 20 N 5.20 -2.79 -2.77 3.97 4.01 0.16 -4.75 117.16 120.19 1qhk n TYR 20 Ca 0.06 -1.47 -0.10 0.00 -0.16 0.00 0.00 57.90 56.23 1qhk n TYR 20 Cb 0.49 -0.50 0.08 0.00 -0.31 0.00 0.00 39.34 39.09 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 -2.74 -1.99 -3.78 7.72 2.85 -1.15 -1.46 115.26 114.71 1qhk n ASN 21 Ca 0.13 -3.58 -0.08 0.00 -0.11 0.00 0.00 54.58 50.94 1qhk n ASN 21 Cb 0.46 1.63 -0.02 0.00 1.24 0.00 0.00 39.78 43.09 1qhk n ASN 21 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1qhk s THR 22 N -0.02 0.00 -0.12 -0.44 2.01 0.33 -4.63 115.64 112.77 1qhk s THR 22 Ca 0.24 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 1qhk s THR 22 Cb 0.30 -1.83 -0.24 0.00 0.01 0.00 0.00 72.50 70.74 1qhk s THR 22 CO -0.05 0.00 0.80 -0.25 -0.69 0.00 0.00 174.62 174.43 1qhk h TRP 23 N 2.00 -0.00 0.69 4.92 -0.00 -1.82 -1.69 115.95 120.04 1qhk h TRP 23 Ca -0.22 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.64 1qhk h TRP 23 Cb 1.26 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.43 1qhk h TRP 23 CO 0.39 0.88 -0.34 -0.91 -0.00 0.00 0.00 178.44 178.46 1qhk h ASN 24 N -0.93 -0.82 -0.94 2.65 2.35 -1.97 0.14 115.58 116.06 1qhk h ASN 24 Ca -0.00 0.03 0.28 0.00 -0.55 0.00 0.00 56.30 56.06 1qhk h ASN 24 Cb 0.88 0.22 -0.16 0.00 0.05 0.00 0.00 38.32 39.31 1qhk h ASN 24 CO 0.00 -0.57 0.27 -0.33 -1.65 0.00 0.00 177.43 175.15 1qhk h GLU 25 N -0.94 0.14 0.00 0.81 4.39 -1.96 1.57 114.58 118.59 1qhk h GLU 25 Ca -0.09 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1qhk h GLU 25 Cb 0.72 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1qhk h GLU 25 CO 0.15 0.10 0.00 0.00 -1.16 0.00 0.00 179.01 178.09 1qhk h LYS 27 N 0.00 -0.10 -0.73 0.00 1.79 -0.85 0.25 116.57 116.93 1qhk h LYS 27 Ca 0.00 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.64 1qhk h LYS 27 Cb 0.00 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 30.56 1qhk h LYS 27 CO 0.00 -0.07 0.12 -0.97 -1.08 0.00 0.00 179.45 177.45 1qhk h ASN 28 N -0.11 -0.11 1.11 0.86 -1.24 0.21 0.95 115.58 117.26 1qhk h ASN 28 Ca 0.27 0.16 -0.03 0.00 0.71 0.00 0.00 56.30 57.42 1qhk h ASN 28 Cb 0.56 0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.85 1qhk h ASN 28 CO -0.76 -0.09 -0.14 1.56 -1.29 0.00 0.00 177.43 176.71 1qhk h GLN 29 N 0.20 0.00 -1.47 6.67 1.08 0.97 -3.38 115.11 119.19 1qhk h GLN 29 Ca 0.41 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.26 1qhk h GLN 29 Cb 0.72 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 27.89 1qhk h GLN 29 CO -0.56 0.14 -0.72 1.33 -0.95 0.00 0.00 178.83 178.08 1qhk n VAL 30 N -3.25 -0.50 -3.59 -0.54 0.24 0.26 -5.02 118.33 105.92 1qhk n VAL 30 Ca 0.01 -2.16 -0.33 0.00 -2.04 0.00 0.00 64.34 59.82 1qhk n VAL 30 Cb 0.42 -0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 32.58 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 2.65 4.06 0.00 -1.34 2.03 0.25 -4.42 116.55 119.78 1qhk n ASP 31 Ca 0.22 -3.25 0.00 0.00 0.52 0.00 0.00 54.79 52.28 1qhk n ASP 31 Cb 0.54 -0.92 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 1qhk n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qhk n GLY 32 N 1.81 1.34 3.03 0.27 0.00 -1.26 -5.05 105.19 105.33 1qhk n GLY 32 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 3.41 -1.23 1.61 1.51 -1.26 -4.91 117.35 114.48 1qhk s TYR 33 Ca 0.00 -2.90 0.22 0.00 -1.01 0.00 0.00 57.07 53.38 1qhk s TYR 33 Cb 0.00 -3.01 1.05 0.00 -0.11 0.00 0.00 41.96 39.89 1qhk s TYR 33 CO 0.00 -0.84 1.73 0.41 -1.11 0.00 0.00 175.55 175.73 1qhk n GLY 34 N 3.63 -1.14 0.00 0.71 0.00 -1.26 -3.06 105.19 104.07 1qhk n GLY 34 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.70 0.87 3.46 -0.02 0.00 -1.26 -5.05 105.19 103.90 1qhk n GLY 35 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1qhk n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhk n ALA 36 N -1.03 -1.38 -2.59 4.61 0.00 -1.17 -4.92 120.51 114.03 1qhk n ALA 36 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 1qhk n ALA 36 Cb 0.00 -1.83 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 1qhk n ALA 36 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1qhk s ILE 37 N -1.82 5.03 -0.25 0.00 -1.16 -1.26 -5.03 121.20 116.71 1qhk s ILE 37 Ca 0.67 1.13 -0.28 0.00 -0.51 0.00 0.00 60.65 61.65 1qhk s ILE 37 Cb -0.39 -3.88 0.16 0.00 0.61 0.00 0.00 42.46 38.96 1qhk s ILE 37 CO 0.56 0.39 1.22 -0.72 -2.81 0.00 0.00 174.94 173.58 1qhk s TYR 38 N 0.09 -0.19 -0.61 3.50 -0.85 -1.26 -4.14 117.35 113.88 1qhk s TYR 38 Ca 0.29 0.36 0.04 0.00 -0.52 0.00 0.00 57.07 57.25 1qhk s TYR 38 Cb -0.17 0.47 0.16 0.00 0.38 0.00 0.00 41.96 42.80 1qhk s TYR 38 CO 0.15 -0.15 0.41 0.15 -1.52 0.00 0.00 175.55 174.58 1qhk s LYS 39 N -0.78 2.10 0.52 -3.49 3.01 0.18 -5.00 119.74 116.28 1qhk s LYS 39 Ca 0.05 -2.96 -0.21 0.00 -1.01 0.00 0.00 55.97 51.84 1qhk s LYS 39 Cb -0.02 -3.08 -0.08 0.00 -1.01 0.00 0.00 37.83 33.64 1qhk s LYS 39 CO -0.06 -1.26 0.89 1.17 0.51 0.00 0.00 175.35 176.61 1qhk n LYS 40 N 2.41 1.00 -3.68 1.68 3.00 -1.26 -1.17 118.16 120.15 1qhk n LYS 40 Ca 0.17 0.37 -0.09 0.00 -0.00 0.00 0.00 58.31 58.76 1qhk n LYS 40 Cb 0.36 -2.02 -0.02 0.00 0.00 0.00 0.00 35.03 33.35 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 -1.46 -0.29 -0.16 5.64 0.08 0.17 -4.77 117.98 117.20 1qhk s PHE 41 Ca 0.69 -0.06 0.17 0.00 0.12 0.00 0.00 56.93 57.85 1qhk s PHE 41 Cb -0.48 0.58 0.44 0.00 -0.57 0.00 0.00 43.02 42.99 1qhk s PHE 41 CO 0.53 -1.03 1.18 -1.71 -0.10 0.00 0.00 175.22 174.09 1qhk n ASN 42 N -0.40 1.93 -2.93 1.36 2.85 -1.26 -0.60 115.26 116.21 1qhk n ASN 42 Ca -0.10 -2.98 0.04 0.00 -0.11 0.00 0.00 54.58 51.43 1qhk n ASN 42 Cb 0.62 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 41.23 1qhk n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1qhk s SER 43 N -2.95 -0.22 0.47 1.20 0.15 -1.26 -4.88 113.70 106.21 1qhk s SER 43 Ca 0.37 -0.04 0.40 0.00 0.70 0.00 0.00 55.95 57.38 1qhk s SER 43 Cb 0.38 0.70 1.37 0.00 -1.71 0.00 0.00 66.02 66.75 1qhk s SER 43 CO -0.08 -0.03 1.28 0.00 1.20 0.00 0.00 173.24 175.60 1qhk n TYR 44 N 4.33 0.00 -0.01 3.44 9.36 -1.26 0.26 117.16 133.28 1qhk n TYR 44 Ca 0.08 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.26 1qhk n TYR 44 Cb 0.61 -0.39 0.19 0.00 -0.63 0.00 0.00 39.34 39.12 1qhk n TYR 44 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1qhk h GLU 45 N 0.00 0.55 0.03 2.98 4.39 -1.97 0.82 114.58 121.39 1qhk h GLU 45 Ca 0.74 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 60.24 1qhk h GLU 45 Cb 3.08 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 31.69 1qhk h GLU 45 CO -0.01 0.73 -0.02 1.96 -1.16 0.00 0.00 179.01 180.52 1qhk h GLN 46 N 0.49 -0.04 -0.11 2.33 4.20 0.32 -0.70 115.11 121.60 1qhk h GLN 46 Ca 0.08 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1qhk h GLN 46 Cb 0.65 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 1qhk h GLN 46 CO 0.05 0.46 -0.26 0.00 -0.67 0.00 0.00 178.83 178.41 1qhk h ALA 47 N -0.45 -0.26 0.17 3.87 0.00 -1.44 0.99 119.26 122.14 1qhk h ALA 47 Ca -0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qhk h ALA 47 Cb 0.52 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1qhk h ALA 47 CO 0.01 -0.73 -0.35 -0.22 0.00 0.00 0.00 179.25 177.96 1qhk h LYS 48 N -0.34 -0.59 -1.29 0.00 3.11 0.57 0.41 116.57 118.45 1qhk h LYS 48 Ca 0.09 0.04 0.37 0.00 -2.81 0.00 0.00 60.65 58.35 1qhk h LYS 48 Cb 0.47 0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 31.79 1qhk h LYS 48 CO -0.30 -0.39 0.94 1.03 -2.81 0.00 0.00 179.45 177.92 1qhk h SER 49 N -0.61 0.00 0.01 4.20 0.87 -0.29 0.59 113.55 118.32 1qhk h SER 49 Ca 0.02 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 1qhk h SER 49 Cb 0.62 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1qhk h SER 49 CO -0.17 0.00 -0.44 0.15 -0.53 0.00 0.00 176.83 175.84 1qhk h PHE 50 N 0.00 0.42 0.00 2.24 3.57 0.22 -3.37 116.94 120.02 1qhk h PHE 50 Ca 0.61 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1qhk h PHE 50 Cb 2.49 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 41.18 1qhk h PHE 50 CO 0.00 1.06 0.00 1.28 -2.23 0.00 0.00 178.31 178.42 1qhk n LEU 51 N -4.36 0.00 0.00 0.59 4.77 0.20 -5.10 117.00 113.11 1qhk n LEU 51 Ca -0.10 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1qhk n LEU 51 Cb 0.60 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1qhk n LEU 51 CO 0.43 -0.34 0.13 0.61 -1.33 0.00 0.00 177.39 176.89