#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 2.77 -0.13 1.61 -0.87 -0.73 -4.62 114.94 112.98 1qhk s ASN 7 Ca 0.00 -1.27 -0.06 0.00 -1.57 0.00 0.00 52.86 49.96 1qhk s ASN 7 Cb 0.00 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.25 41.02 1qhk s ASN 7 CO 0.00 -0.44 0.10 -0.36 -2.57 0.00 0.00 177.10 173.83 1qhk s PHE 8 N -3.07 3.43 -0.19 2.20 0.08 -0.06 0.46 117.98 120.84 1qhk s PHE 8 Ca 0.32 0.37 -0.03 0.00 0.12 0.00 0.00 56.93 57.71 1qhk s PHE 8 Cb 0.06 -1.94 0.06 0.00 -0.57 0.00 0.00 43.02 40.63 1qhk s PHE 8 CO 0.14 0.56 0.05 -0.47 -0.10 0.00 0.00 175.22 175.39 1qhk s TYR 9 N -0.69 0.89 -1.14 0.36 6.14 -0.67 0.35 117.35 122.59 1qhk s TYR 9 Ca 0.12 -0.77 -0.21 0.00 0.64 0.00 0.00 57.07 56.85 1qhk s TYR 9 Cb -0.12 -0.98 0.06 0.00 0.42 0.00 0.00 41.96 41.34 1qhk s TYR 9 CO 0.03 -0.60 1.58 0.00 0.64 0.00 0.00 175.55 177.20 1qhk s ALA 10 N 1.90 2.95 0.12 3.97 0.00 -0.31 -0.50 121.76 129.89 1qhk s ALA 10 Ca -0.00 -2.53 0.05 0.00 0.00 0.00 0.00 51.96 49.48 1qhk s ALA 10 Cb -0.17 -4.58 -0.04 0.00 0.00 0.00 0.00 23.12 18.33 1qhk s ALA 10 CO -0.08 -3.51 0.04 0.08 0.00 0.00 0.00 175.76 172.30 1qhk s VAL 11 N 4.74 4.18 0.26 0.00 1.01 -0.23 0.61 120.40 130.98 1qhk s VAL 11 Ca 0.50 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1qhk s VAL 11 Cb 0.02 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1qhk s VAL 11 CO -0.02 0.04 0.00 0.54 0.00 0.00 0.00 175.10 175.66 1qhk n ARG 12 N 0.25 0.00 -3.37 2.72 1.74 -1.26 -1.09 116.66 115.66 1qhk n ARG 12 Ca -0.10 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.79 1qhk n ARG 12 Cb 0.53 -0.07 0.06 0.00 -1.02 0.00 0.00 32.46 31.96 1qhk n ARG 12 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1qhk n LYS 13 N -3.48 -1.94 0.00 5.56 3.00 -1.26 0.91 118.16 120.95 1qhk n LYS 13 Ca 0.00 0.76 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 1qhk n LYS 13 Cb 0.00 -5.34 0.00 0.00 0.00 0.00 0.00 35.03 29.69 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 -1.37 0.23 0.54 3.14 0.00 -1.26 -3.22 105.19 103.26 1qhk n GLY 14 Ca -0.08 0.65 0.32 0.00 0.00 0.00 0.00 46.02 46.92 1qhk n GLY 14 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qhk h ARG 15 N 0.00 0.00 -0.55 1.61 2.43 -2.03 -3.46 114.38 112.39 1qhk h ARG 15 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1qhk h ARG 15 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1qhk h ARG 15 CO 0.00 0.00 -0.14 -1.91 -1.51 0.00 0.00 179.97 176.41 1qhk n GLU 16 N -3.54 -0.65 0.04 0.20 2.13 0.26 -5.06 120.64 114.03 1qhk n GLU 16 Ca 0.25 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1qhk n GLU 16 Cb 1.44 -0.58 0.00 0.00 0.27 0.00 0.00 31.44 32.58 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 -1.24 0.12 -0.04 6.31 -2.24 -1.16 -4.90 114.28 111.13 1qhk n THR 17 Ca 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1qhk n THR 17 Cb 0.03 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 2.07 0.97 3.59 3.38 0.00 -0.25 -5.01 105.19 109.95 1qhk n GLY 18 Ca 0.00 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.52 5.12 0.89 -0.61 1.01 -1.24 -1.07 121.20 122.78 1qhk s ILE 19 Ca 0.00 0.57 -0.13 0.00 0.00 0.00 0.00 60.65 61.09 1qhk s ILE 19 Cb 0.00 -3.79 0.17 0.00 0.01 0.00 0.00 42.46 38.84 1qhk s ILE 19 CO 0.00 0.05 1.24 -0.31 0.00 0.00 0.00 174.94 175.92 1qhk s TYR 20 N 2.19 1.84 -0.45 3.97 2.02 0.35 -4.70 117.35 122.56 1qhk s TYR 20 Ca 0.17 0.29 0.07 0.00 -0.37 0.00 0.00 57.07 57.23 1qhk s TYR 20 Cb -0.16 -3.83 0.31 0.00 -0.40 0.00 0.00 41.96 37.89 1qhk s TYR 20 CO 0.10 -2.33 1.04 -1.71 -1.57 0.00 0.00 175.55 171.08 1qhk n ASN 21 N -3.53 -2.06 -3.45 2.29 5.15 -1.08 -1.66 115.26 110.92 1qhk n ASN 21 Ca 0.14 -3.56 -0.14 0.00 -0.60 0.00 0.00 54.58 50.42 1qhk n ASN 21 Cb 0.60 1.62 -0.03 0.00 -0.53 0.00 0.00 39.78 41.43 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 0.03 0.00 0.07 -0.44 2.01 0.17 -4.47 115.64 113.02 1qhk s THR 22 Ca 0.25 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.13 1qhk s THR 22 Cb 0.29 -1.00 -0.26 0.00 0.01 0.00 0.00 72.50 71.53 1qhk s THR 22 CO -0.08 -0.01 1.16 -0.25 -0.69 0.00 0.00 174.62 174.75 1qhk h TRP 23 N 2.30 0.89 0.35 4.92 7.01 -1.82 -1.85 115.95 127.75 1qhk h TRP 23 Ca -0.32 -0.54 -0.02 0.00 2.11 0.00 0.00 58.89 60.12 1qhk h TRP 23 Cb 1.26 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 1qhk h TRP 23 CO 0.28 1.39 -0.17 -0.97 -2.79 0.00 0.00 178.44 176.17 1qhk h ASN 24 N 0.26 -0.40 -1.34 2.65 -1.24 -1.96 -2.83 115.58 110.72 1qhk h ASN 24 Ca -0.15 -0.11 0.41 0.00 0.71 0.00 0.00 56.30 57.16 1qhk h ASN 24 Cb 1.83 0.10 -0.10 0.00 0.73 0.00 0.00 38.32 40.88 1qhk h ASN 24 CO 0.22 0.05 0.90 -0.33 -1.29 0.00 0.00 177.43 176.97 1qhk h GLU 25 N -1.03 0.11 0.00 6.67 4.39 -1.95 2.17 114.58 124.94 1qhk h GLU 25 Ca -0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1qhk h GLU 25 Cb 0.49 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1qhk h GLU 25 CO 0.08 0.08 0.00 0.00 -1.16 0.00 0.00 179.01 178.01 1qhk h LYS 27 N 0.00 0.46 -0.64 0.00 6.56 -1.23 -0.09 116.57 121.64 1qhk h LYS 27 Ca 0.00 -0.03 0.12 0.00 -1.06 0.00 0.00 60.65 59.68 1qhk h LYS 27 Cb 0.00 -0.10 -0.09 0.00 -0.57 0.00 0.00 32.23 31.47 1qhk h LYS 27 CO 0.00 0.31 0.17 -0.97 -2.06 0.00 0.00 179.45 176.90 1qhk h ASN 28 N 0.48 0.07 0.65 0.86 -0.00 0.35 0.30 115.58 118.29 1qhk h ASN 28 Ca 0.37 0.11 -0.11 0.00 -0.00 0.00 0.00 56.30 56.67 1qhk h ASN 28 Cb 0.51 0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 38.94 1qhk h ASN 28 CO -0.35 0.04 -0.53 1.56 -0.00 0.00 0.00 177.43 178.14 1qhk h GLN 29 N 0.31 0.00 -2.26 6.67 1.08 0.39 -3.38 115.11 117.92 1qhk h GLN 29 Ca 0.34 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 57.02 1qhk h GLN 29 Cb 0.50 0.00 -0.36 0.00 -0.05 0.00 0.00 27.48 27.57 1qhk h GLN 29 CO -0.40 0.53 -0.86 0.14 -0.95 0.00 0.00 178.83 177.29 1qhk s VAL 30 N -3.67 0.08 -0.02 -0.54 -7.23 0.57 -4.91 120.40 104.67 1qhk s VAL 30 Ca -0.01 -2.02 0.09 0.00 -1.81 0.00 0.00 61.98 58.23 1qhk s VAL 30 Cb 0.12 -1.03 -0.14 0.00 0.56 0.00 0.00 36.38 35.90 1qhk s VAL 30 CO 0.74 -0.98 0.20 -0.67 -0.31 0.00 0.00 175.10 174.08 1qhk n ASP 31 N 3.38 2.88 0.02 4.85 -0.08 0.75 -4.44 116.55 123.92 1qhk n ASP 31 Ca 0.21 -0.01 -0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1qhk n ASP 31 Cb 0.45 1.41 -0.00 0.00 2.34 0.00 0.00 41.12 45.32 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 1.97 0.02 0.00 0.27 0.00 -1.26 -5.08 105.19 101.12 1qhk n GLY 32 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.97 0.00 0.25 1.61 4.11 -1.26 -4.67 117.16 114.23 1qhk n TYR 33 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 57.98 1qhk n TYR 33 Cb 0.01 0.00 0.39 0.00 -0.00 0.00 0.00 39.34 39.74 1qhk n TYR 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1qhk n GLY 34 N 1.11 -0.92 0.00 -7.48 0.00 -1.26 -4.06 105.19 92.58 1qhk n GLY 34 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.78 0.00 3.62 -0.02 0.00 -1.26 -5.16 105.19 101.59 1qhk n GLY 35 Ca 0.01 0.00 -0.29 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 s ALA 36 N 0.00 0.75 -0.12 4.61 0.00 -1.26 -4.96 121.76 120.78 1qhk s ALA 36 Ca 0.00 0.07 -0.25 0.00 0.00 0.00 0.00 51.96 51.78 1qhk s ALA 36 Cb 0.00 -3.27 -0.26 0.00 0.00 0.00 0.00 23.12 19.58 1qhk s ALA 36 CO 0.00 -3.03 0.70 0.97 0.00 0.00 0.00 175.76 174.40 1qhk h ILE 37 N -2.04 1.53 0.00 0.00 -0.00 -1.98 -3.49 117.51 111.53 1qhk h ILE 37 Ca -0.53 -2.38 0.00 0.00 -0.00 0.00 0.00 64.86 61.96 1qhk h ILE 37 Cb 1.30 3.12 0.00 0.00 -0.00 0.00 0.00 36.82 41.24 1qhk h ILE 37 CO 0.50 0.60 0.00 0.00 -0.00 0.00 0.00 178.15 179.25 1qhk n TYR 38 N -4.40 0.00 -3.19 2.19 4.11 -1.26 -4.77 117.16 109.83 1qhk n TYR 38 Ca -0.15 0.00 -0.45 0.00 -0.00 0.00 0.00 57.90 57.29 1qhk n TYR 38 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.96 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 3.97 0.65 -3.48 -0.14 0.20 -4.95 119.74 115.99 1qhk s LYS 39 Ca 0.00 -2.71 -0.17 0.00 -1.36 0.00 0.00 55.97 51.72 1qhk s LYS 39 Cb 0.00 -4.70 -0.10 0.00 -1.68 0.00 0.00 37.83 31.35 1qhk s LYS 39 CO 0.00 -1.45 0.12 1.17 -0.76 0.00 0.00 175.35 174.43 1qhk n LYS 40 N 4.18 0.19 -3.51 1.68 0.00 -1.26 -1.16 118.16 118.29 1qhk n LYS 40 Ca 0.25 0.08 -0.11 0.00 0.00 0.00 0.00 58.31 58.53 1qhk n LYS 40 Cb 0.43 -1.39 -0.03 0.00 0.00 0.00 0.00 35.03 34.04 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 -1.92 -0.42 -0.29 5.64 0.08 0.15 -4.67 117.98 116.56 1qhk s PHE 41 Ca 0.60 0.17 0.14 0.00 0.12 0.00 0.00 56.93 57.95 1qhk s PHE 41 Cb -0.40 0.47 0.48 0.00 -0.57 0.00 0.00 43.02 43.00 1qhk s PHE 41 CO 0.63 -0.82 1.14 -1.71 -0.10 0.00 0.00 175.22 174.36 1qhk n ASN 42 N -0.34 3.31 0.00 1.36 5.15 -1.26 -0.88 115.26 122.61 1qhk n ASN 42 Ca -0.16 -2.97 0.00 0.00 -0.60 0.00 0.00 54.58 50.85 1qhk n ASN 42 Cb 0.64 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 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 -0.41 1.20 7.64 -1.26 -4.91 113.62 115.28 1qhk n SER 43 Ca 0.26 0.00 0.37 0.00 1.01 0.00 0.00 58.87 60.51 1qhk n SER 43 Cb 0.87 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 64.64 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 -0.05 1.43 9.36 -1.26 0.24 117.16 126.88 1qhk n TYR 44 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 1qhk n TYR 44 Cb 0.00 -0.34 0.05 0.00 -0.63 0.00 0.00 39.34 38.42 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 0.72 0.09 2.98 5.08 -1.97 0.67 114.58 122.14 1qhk h GLU 45 Ca 0.65 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1qhk h GLU 45 Cb 3.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 32.42 1qhk h GLU 45 CO -0.01 0.99 -0.04 1.96 -1.00 0.00 0.00 179.01 180.91 1qhk h GLN 46 N 0.59 -0.11 -0.08 2.33 4.20 0.28 -0.67 115.11 121.64 1qhk h GLN 46 Ca 0.05 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.81 1qhk h GLN 46 Cb 0.94 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.68 1qhk h GLN 46 CO 0.09 0.30 -0.34 0.00 -0.67 0.00 0.00 178.83 178.20 1qhk h ALA 47 N -0.53 -0.45 -0.35 3.87 0.00 -1.42 -0.41 119.26 119.96 1qhk h ALA 47 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1qhk h ALA 47 Cb 0.46 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1qhk h ALA 47 CO 0.02 -0.84 -0.31 -0.22 0.00 0.00 0.00 179.25 177.91 1qhk h LYS 48 N -0.45 -0.25 -1.04 0.00 1.63 0.27 0.86 116.57 117.59 1qhk h LYS 48 Ca 0.08 0.02 0.34 0.00 -0.85 0.00 0.00 60.65 60.24 1qhk h LYS 48 Cb 0.57 0.06 -0.15 0.00 -0.60 0.00 0.00 32.23 32.11 1qhk h LYS 48 CO -0.33 -0.17 0.60 1.03 -3.45 0.00 0.00 179.45 177.14 1qhk h SER 49 N -0.26 0.46 0.47 4.20 0.87 0.42 2.09 113.55 121.80 1qhk h SER 49 Ca 0.16 0.19 -0.21 0.00 -1.23 0.00 0.00 61.79 60.70 1qhk h SER 49 Cb 0.52 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1qhk h SER 49 CO -0.49 -0.17 -0.89 0.15 -0.53 0.00 0.00 176.83 174.90 1qhk h PHE 50 N 0.26 0.43 0.37 2.24 3.57 0.19 -3.33 116.94 120.68 1qhk h PHE 50 Ca 0.75 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 62.00 1qhk h PHE 50 Cb 1.84 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.53 1qhk h PHE 50 CO -0.01 1.04 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.87 1qhk h LEU 51 N 0.17 -0.42 0.00 0.59 3.38 0.79 -3.51 115.31 116.31 1qhk h LEU 51 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1qhk h LEU 51 Cb 1.52 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1qhk h LEU 51 CO 0.14 -0.29 0.00 0.61 0.09 0.00 0.00 178.44 178.99