#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 0.11 -0.14 1.61 -0.87 -0.68 -4.48 114.94 110.49 1qhk s ASN 7 Ca 0.00 -1.01 -0.07 0.00 -1.57 0.00 0.00 52.86 50.22 1qhk s ASN 7 Cb 0.00 0.40 -0.04 0.00 -0.02 0.00 0.00 41.25 41.59 1qhk s ASN 7 CO 0.00 -0.86 0.09 -0.36 -2.57 0.00 0.00 177.10 173.40 1qhk s PHE 8 N -4.01 3.38 -0.16 2.20 0.40 0.50 0.92 117.98 121.21 1qhk s PHE 8 Ca 0.21 0.30 -0.04 0.00 -0.60 0.00 0.00 56.93 56.80 1qhk s PHE 8 Cb 0.04 -1.98 0.06 0.00 0.51 0.00 0.00 43.02 41.65 1qhk s PHE 8 CO 0.02 0.45 0.08 -0.47 0.70 0.00 0.00 175.22 176.00 1qhk s TYR 9 N -0.39 0.31 -0.54 0.36 6.14 -0.73 0.41 117.35 122.92 1qhk s TYR 9 Ca 0.10 -0.35 -0.28 0.00 0.64 0.00 0.00 57.07 57.18 1qhk s TYR 9 Cb -0.12 -0.73 0.03 0.00 0.42 0.00 0.00 41.96 41.57 1qhk s TYR 9 CO 0.02 -0.50 1.13 0.00 0.64 0.00 0.00 175.55 176.83 1qhk s ALA 10 N 2.10 3.08 0.04 3.97 0.00 -0.57 -0.70 121.76 129.67 1qhk s ALA 10 Ca 0.02 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 1qhk s ALA 10 Cb -0.16 -3.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 1qhk s ALA 10 CO -0.08 -2.46 -0.04 0.08 0.00 0.00 0.00 175.76 173.26 1qhk s VAL 11 N 4.60 0.23 0.00 0.00 1.01 -0.06 0.56 120.40 126.75 1qhk s VAL 11 Ca 0.43 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1qhk s VAL 11 Cb -0.08 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1qhk s VAL 11 CO 0.27 -0.73 0.00 -1.14 0.00 0.00 0.00 175.10 173.50 1qhk n ARG 12 N 0.84 0.00 -4.05 2.72 0.00 -1.26 -0.18 116.66 114.73 1qhk n ARG 12 Ca -0.19 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.33 1qhk n ARG 12 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.99 1qhk n ARG 12 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1qhk n LYS 13 N -0.17 -1.71 0.00 -0.14 2.85 -1.26 -4.50 118.16 113.23 1qhk n LYS 13 Ca 0.00 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 1qhk n LYS 13 Cb 0.00 -4.79 0.00 0.00 -0.65 0.00 0.00 35.03 29.59 1qhk n LYS 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qhk n GLY 14 N -1.03 -1.40 0.98 2.58 0.00 -1.26 -5.08 105.19 99.98 1qhk n GLY 14 Ca 0.08 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.59 0.00 0.00 1.61 3.00 -1.26 -5.04 116.66 114.38 1qhk n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1qhk n ARG 15 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 32.46 32.44 1qhk n ARG 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1qhk n GLU 16 N -1.99 0.00 0.00 -0.14 -0.58 -1.26 -5.04 120.64 111.63 1qhk n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1qhk n GLU 16 Cb 0.00 -0.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 1qhk n GLU 16 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1qhk n THR 17 N 0.00 0.00 -4.34 2.62 5.66 -1.25 -4.99 114.28 111.98 1qhk n THR 17 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1qhk n THR 17 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 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 0.00 0.42 -0.32 1.09 0.00 0.74 -4.84 107.32 104.42 1qhk s GLY 18 Ca 0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.18 1qhk s GLY 18 CO 0.00 -0.31 0.42 -0.42 0.00 0.00 0.00 173.10 172.79 1qhk s ILE 19 N -0.21 5.11 0.93 0.90 1.01 -1.23 -0.88 121.20 126.83 1qhk s ILE 19 Ca 0.03 0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.90 1qhk s ILE 19 Cb -0.03 -3.83 0.19 0.00 0.01 0.00 0.00 42.46 38.80 1qhk s ILE 19 CO -0.00 -0.04 1.28 -0.31 0.00 0.00 0.00 174.94 175.86 1qhk s TYR 20 N 2.17 1.62 -0.41 3.97 2.02 0.12 -4.66 117.35 122.19 1qhk s TYR 20 Ca 0.16 0.26 0.09 0.00 -0.37 0.00 0.00 57.07 57.20 1qhk s TYR 20 Cb -0.16 -3.98 0.35 0.00 -0.40 0.00 0.00 41.96 37.77 1qhk s TYR 20 CO 0.11 -2.52 0.99 -1.71 -1.57 0.00 0.00 175.55 170.86 1qhk n ASN 21 N -3.65 -0.91 -3.44 2.29 5.15 -1.05 -1.77 115.26 111.88 1qhk n ASN 21 Ca 0.15 -3.27 -0.13 0.00 -0.60 0.00 0.00 54.58 50.74 1qhk n ASN 21 Cb 0.60 0.77 -0.03 0.00 -0.53 0.00 0.00 39.78 40.59 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 -0.94 0.00 0.06 -0.44 2.01 0.26 -4.33 115.64 112.27 1qhk s THR 22 Ca 0.29 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 1qhk s THR 22 Cb 0.33 -1.00 -0.30 0.00 0.01 0.00 0.00 72.50 71.54 1qhk s THR 22 CO -0.06 -0.01 1.10 -0.25 -0.69 0.00 0.00 174.62 174.71 1qhk h TRP 23 N 2.13 0.86 0.58 4.92 7.01 -1.81 -1.66 115.95 127.98 1qhk h TRP 23 Ca -0.33 -0.58 -0.03 0.00 2.11 0.00 0.00 58.89 60.06 1qhk h TRP 23 Cb 1.29 -0.05 0.01 0.00 -2.10 0.00 0.00 29.16 28.30 1qhk h TRP 23 CO 0.25 1.43 -0.28 -0.97 -2.79 0.00 0.00 178.44 176.08 1qhk h ASN 24 N 0.19 -0.66 -0.90 2.65 -0.00 -1.96 0.11 115.58 115.02 1qhk h ASN 24 Ca -0.19 -0.04 0.23 0.00 -0.00 0.00 0.00 56.30 56.31 1qhk h ASN 24 Cb 1.97 0.17 -0.13 0.00 -0.00 0.00 0.00 38.32 40.33 1qhk h ASN 24 CO 0.24 -0.30 0.37 -0.33 -0.00 0.00 0.00 177.43 177.40 1qhk h GLU 25 N -1.06 0.34 0.00 6.67 4.39 -1.95 2.08 114.58 125.04 1qhk h GLU 25 Ca -0.08 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1qhk h GLU 25 Cb 0.66 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1qhk h GLU 25 CO 0.13 0.22 0.00 0.00 -1.16 0.00 0.00 179.01 178.20 1qhk h LYS 27 N 0.00 -0.52 -0.87 0.00 6.56 -0.51 0.27 116.57 121.50 1qhk h LYS 27 Ca 0.00 0.04 0.23 0.00 -1.06 0.00 0.00 60.65 59.85 1qhk h LYS 27 Cb 0.00 0.12 -0.15 0.00 -0.57 0.00 0.00 32.23 31.63 1qhk h LYS 27 CO 0.00 -0.35 0.14 -0.97 -2.06 0.00 0.00 179.45 176.22 1qhk h ASN 28 N -0.54 -0.17 0.92 0.86 -0.73 0.33 2.33 115.58 118.58 1qhk h ASN 28 Ca 0.06 0.21 -0.06 0.00 1.87 0.00 0.00 56.30 58.38 1qhk h ASN 28 Cb 0.66 0.32 -0.01 0.00 0.27 0.00 0.00 38.32 39.56 1qhk h ASN 28 CO -0.42 -0.20 -0.30 1.56 -0.37 0.00 0.00 177.43 177.70 1qhk h GLN 29 N 0.14 0.00 -1.11 6.67 1.08 0.72 -3.37 115.11 119.25 1qhk h GLN 29 Ca 0.53 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 57.32 1qhk h GLN 29 Cb 1.04 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 28.19 1qhk h GLN 29 CO -0.71 0.30 -0.84 1.33 -0.95 0.00 0.00 178.83 177.97 1qhk n VAL 30 N -3.45 -0.34 -0.03 -0.54 0.24 0.52 -4.93 118.33 109.80 1qhk n VAL 30 Ca 0.00 -2.94 0.01 0.00 -2.04 0.00 0.00 64.34 59.37 1qhk n VAL 30 Cb 0.48 -0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.47 1qhk n VAL 30 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1qhk n ASP 31 N 1.34 1.84 -2.72 -1.34 5.75 0.66 -4.52 116.55 117.56 1qhk n ASP 31 Ca 0.16 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.75 1qhk n ASP 31 Cb 0.59 1.26 0.00 0.00 -1.03 0.00 0.00 41.12 41.94 1qhk n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qhk n GLY 32 N 1.94 3.91 3.04 6.12 0.00 -1.26 -5.02 105.19 113.92 1qhk n GLY 32 Ca -0.11 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.20 3.23 0.12 1.61 1.51 -1.26 -5.01 117.35 114.34 1qhk s TYR 33 Ca 0.39 -2.36 -0.26 0.00 -1.01 0.00 0.00 57.07 53.83 1qhk s TYR 33 Cb 0.40 -2.04 -0.07 0.00 -0.11 0.00 0.00 41.96 40.13 1qhk s TYR 33 CO -0.08 -0.88 1.44 0.78 -1.11 0.00 0.00 175.55 175.70 1qhk h GLY 34 N 7.77 -1.20 -5.96 0.71 0.00 -1.99 -3.30 103.07 99.10 1qhk h GLY 34 Ca -0.17 0.80 -0.49 0.00 0.00 0.00 0.00 47.33 47.48 1qhk h GLY 34 CO 0.46 -0.20 -1.15 0.61 0.00 0.00 0.00 176.54 176.26 1qhk n GLY 35 N -1.26 3.31 3.39 4.60 0.00 -1.26 -5.12 105.19 108.85 1qhk n GLY 35 Ca -0.01 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 1qhk n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhk s ALA 36 N -2.04 -0.74 -0.00 4.61 0.00 -1.25 -4.94 121.76 117.40 1qhk s ALA 36 Ca 0.38 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 1qhk s ALA 36 Cb 0.31 -3.11 -0.32 0.00 0.00 0.00 0.00 23.12 20.00 1qhk s ALA 36 CO -0.09 -4.28 0.85 0.97 0.00 0.00 0.00 175.76 173.20 1qhk h ILE 37 N -3.06 1.13 0.00 0.00 -0.00 -1.98 -3.48 117.51 110.12 1qhk h ILE 37 Ca -0.54 -2.65 0.00 0.00 -0.00 0.00 0.00 64.86 61.67 1qhk h ILE 37 Cb 1.34 2.88 0.00 0.00 -0.00 0.00 0.00 36.82 41.04 1qhk h ILE 37 CO 0.41 0.84 0.00 0.00 -0.00 0.00 0.00 178.15 179.39 1qhk n TYR 38 N -3.62 0.00 -3.71 2.19 0.18 -1.26 -4.86 117.16 106.08 1qhk n TYR 38 Ca -0.20 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.23 1qhk n TYR 38 Cb 1.08 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.96 1qhk n TYR 38 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1qhk s LYS 39 N 0.00 2.82 0.62 -3.48 2.47 0.19 -4.98 119.74 117.38 1qhk s LYS 39 Ca 0.00 -2.91 -0.18 0.00 -1.56 0.00 0.00 55.97 51.33 1qhk s LYS 39 Cb 0.00 -3.78 -0.05 0.00 -1.46 0.00 0.00 37.83 32.54 1qhk s LYS 39 CO 0.00 -1.22 0.77 1.17 0.16 0.00 0.00 175.35 176.23 1qhk n LYS 40 N 2.88 0.65 -3.49 4.03 0.00 -1.26 -1.52 118.16 119.45 1qhk n LYS 40 Ca 0.14 0.26 -0.11 0.00 0.00 0.00 0.00 58.31 58.60 1qhk n LYS 40 Cb 0.37 -1.98 -0.03 0.00 0.00 0.00 0.00 35.03 33.39 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 -1.66 -0.44 -0.19 5.64 0.08 0.17 -4.79 117.98 116.79 1qhk s PHE 41 Ca 0.73 0.19 0.18 0.00 0.12 0.00 0.00 56.93 58.15 1qhk s PHE 41 Cb -0.41 0.48 0.46 0.00 -0.57 0.00 0.00 43.02 42.98 1qhk s PHE 41 CO 0.51 -0.81 1.16 -1.71 -0.10 0.00 0.00 175.22 174.26 1qhk n ASN 42 N -0.34 2.17 0.00 1.36 5.15 -1.26 -0.37 115.26 121.97 1qhk n ASN 42 Ca -0.16 -2.69 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 1qhk n ASN 42 Cb 0.65 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 1qhk n ASN 42 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1qhk n SER 43 N -0.41 0.00 -0.44 1.20 2.88 -1.26 -4.92 113.62 110.66 1qhk n SER 43 Ca 0.17 0.00 0.35 0.00 -1.33 0.00 0.00 58.87 58.05 1qhk n SER 43 Cb 0.91 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.92 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 0.21 -0.22 0.66 9.36 -1.26 0.19 117.16 126.10 1qhk n TYR 44 Ca 0.00 0.21 -0.00 0.00 3.32 0.00 0.00 57.90 61.43 1qhk n TYR 44 Cb 0.00 -0.58 0.11 0.00 -0.63 0.00 0.00 39.34 38.24 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 0.50 0.00 2.98 5.08 -1.97 1.91 114.58 123.08 1qhk h GLU 45 Ca 0.66 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.99 1qhk h GLU 45 Cb 2.46 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.59 1qhk h GLU 45 CO -0.14 0.33 -0.00 1.96 -1.00 0.00 0.00 179.01 180.16 1qhk h GLN 46 N 0.52 -0.00 -0.33 2.33 4.20 0.16 -0.28 115.11 121.71 1qhk h GLN 46 Ca 0.31 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.09 1qhk h GLN 46 Cb 0.33 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.04 1qhk h GLN 46 CO -0.26 0.89 -0.12 0.00 -0.67 0.00 0.00 178.83 178.67 1qhk h ALA 47 N -0.03 0.15 -0.38 3.87 0.00 -1.22 0.05 119.26 121.70 1qhk h ALA 47 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qhk h ALA 47 Cb 0.90 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1qhk h ALA 47 CO 0.00 -0.51 0.21 -0.22 0.00 0.00 0.00 179.25 178.74 1qhk h LYS 48 N -0.06 0.53 -0.84 0.00 3.11 0.29 0.14 116.57 119.74 1qhk h LYS 48 Ca 0.16 -0.06 0.21 0.00 -2.81 0.00 0.00 60.65 58.16 1qhk h LYS 48 Cb 0.31 -0.11 -0.14 0.00 -1.00 0.00 0.00 32.23 31.30 1qhk h LYS 48 CO -0.37 0.43 0.17 1.03 -2.81 0.00 0.00 179.45 177.90 1qhk h SER 49 N 0.49 -0.10 0.54 4.20 0.87 0.77 0.71 113.55 121.03 1qhk h SER 49 Ca 0.14 0.20 -0.21 0.00 -1.23 0.00 0.00 61.79 60.68 1qhk h SER 49 Cb 0.05 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1qhk h SER 49 CO -0.02 -0.16 -0.91 -0.26 -0.53 0.00 0.00 176.83 174.95 1qhk h PHE 50 N 0.18 0.37 0.00 2.24 0.04 -0.43 -3.36 116.94 115.98 1qhk h PHE 50 Ca 0.51 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1qhk h PHE 50 Cb 0.98 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1qhk h PHE 50 CO -0.31 1.03 0.00 1.28 -0.60 0.00 0.00 178.31 179.71 1qhk n LEU 51 N -3.67 0.37 0.00 1.54 4.32 0.21 -5.11 117.00 114.66 1qhk n LEU 51 Ca -0.04 0.63 0.11 0.00 -0.02 0.00 0.00 56.01 56.69 1qhk n LEU 51 Cb 0.83 -0.26 0.67 0.00 -1.62 0.00 0.00 43.42 43.04 1qhk n LEU 51 CO 0.49 -0.26 0.86 0.61 -1.22 0.00 0.00 177.39 177.86