#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 5.41 -0.08 1.61 -0.87 -0.75 -4.50 114.94 115.76 1qhk s ASN 7 Ca 0.00 -0.43 -0.05 0.00 -1.57 0.00 0.00 52.86 50.80 1qhk s ASN 7 Cb 0.00 -1.04 -0.04 0.00 -0.02 0.00 0.00 41.25 40.16 1qhk s ASN 7 CO 0.00 -0.35 0.14 -0.36 -2.57 0.00 0.00 177.10 173.96 1qhk s PHE 8 N -2.28 3.55 -0.20 2.20 0.40 0.42 0.11 117.98 122.18 1qhk s PHE 8 Ca 0.41 0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 57.15 1qhk s PHE 8 Cb -0.06 -1.89 0.08 0.00 0.51 0.00 0.00 43.02 41.66 1qhk s PHE 8 CO 0.27 0.69 0.16 -0.47 0.70 0.00 0.00 175.22 176.57 1qhk s TYR 9 N -1.12 -0.03 -0.88 0.36 6.14 -0.55 -0.06 117.35 121.21 1qhk s TYR 9 Ca 0.19 -0.14 -0.24 0.00 0.64 0.00 0.00 57.07 57.52 1qhk s TYR 9 Cb -0.12 -0.56 0.05 0.00 0.42 0.00 0.00 41.96 41.75 1qhk s TYR 9 CO 0.09 -0.61 1.34 0.00 0.64 0.00 0.00 175.55 177.01 1qhk s ALA 10 N 2.23 2.78 0.18 3.97 0.00 -0.57 -0.82 121.76 129.53 1qhk s ALA 10 Ca 0.05 -1.90 0.09 0.00 0.00 0.00 0.00 51.96 50.20 1qhk s ALA 10 Cb -0.16 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.56 1qhk s ALA 10 CO -0.14 -3.40 -0.10 0.08 0.00 0.00 0.00 175.76 172.19 1qhk s VAL 11 N 5.12 3.14 0.00 0.00 1.01 0.40 0.33 120.40 130.40 1qhk s VAL 11 Ca 0.39 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1qhk s VAL 11 Cb -0.04 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1qhk s VAL 11 CO 0.01 -0.12 0.00 -1.14 0.00 0.00 0.00 175.10 173.86 1qhk n ARG 12 N 0.03 2.29 0.00 2.72 0.63 -1.26 0.19 116.66 121.27 1qhk n ARG 12 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1qhk n ARG 12 Cb 0.56 -0.19 0.00 0.00 0.45 0.00 0.00 32.46 33.27 1qhk n ARG 12 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1qhk n LYS 13 N 0.00 0.00 0.00 -0.14 4.76 -1.24 -0.45 118.16 121.09 1qhk n LYS 13 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1qhk n LYS 13 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 3.83 0.72 0.00 -1.26 -4.65 105.19 103.83 1qhk n GLY 14 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1qhk n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qhk s ARG 15 N -1.93 1.87 -0.95 1.61 1.70 0.40 -5.01 118.95 116.65 1qhk s ARG 15 Ca 0.00 -1.18 -0.07 0.00 -0.47 0.00 0.00 55.73 54.01 1qhk s ARG 15 Cb 0.00 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1qhk s ARG 15 CO 0.00 -0.88 0.80 -1.91 -1.08 0.00 0.00 175.30 172.23 1qhk n GLU 16 N -0.57 -1.67 -2.68 3.89 2.13 -1.26 -4.78 120.64 115.71 1qhk n GLU 16 Ca -0.06 0.99 -0.40 0.00 0.66 0.00 0.00 57.16 58.35 1qhk n GLU 16 Cb 0.60 -5.20 -0.06 0.00 0.27 0.00 0.00 31.44 27.05 1qhk n GLU 16 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1qhk s THR 17 N -3.24 3.93 0.05 6.31 -1.32 -1.26 -4.66 115.64 115.45 1qhk s THR 17 Ca 0.27 1.89 -0.27 0.00 -1.21 0.00 0.00 61.69 62.37 1qhk s THR 17 Cb -0.06 -4.18 0.09 0.00 -1.51 0.00 0.00 72.50 66.85 1qhk s THR 17 CO 0.78 0.41 0.85 -0.83 -2.21 0.00 0.00 174.62 173.62 1qhk s GLY 18 N -1.17 -0.44 -0.25 6.08 0.00 0.13 -4.96 107.32 106.71 1qhk s GLY 18 Ca 0.44 0.78 -0.09 0.00 0.00 0.00 0.00 44.72 45.84 1qhk s GLY 18 CO 0.33 0.25 0.12 -0.42 0.00 0.00 0.00 173.10 173.38 1qhk s ILE 19 N -3.25 4.84 0.79 0.90 1.01 -1.25 -0.45 121.20 123.78 1qhk s ILE 19 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 1qhk s ILE 19 Cb -0.01 -3.26 0.16 0.00 0.01 0.00 0.00 42.46 39.36 1qhk s ILE 19 CO -0.08 0.33 1.08 -0.31 0.00 0.00 0.00 174.94 175.97 1qhk s TYR 20 N 1.38 1.25 -0.47 3.97 2.02 -0.00 -4.75 117.35 120.75 1qhk s TYR 20 Ca 0.06 -0.29 0.06 0.00 -0.37 0.00 0.00 57.07 56.53 1qhk s TYR 20 Cb -0.15 -3.19 0.29 0.00 -0.40 0.00 0.00 41.96 38.51 1qhk s TYR 20 CO 0.06 -2.03 0.99 -1.71 -1.57 0.00 0.00 175.55 171.29 1qhk n ASN 21 N -3.06 -2.36 -3.49 2.29 5.15 -1.14 -1.48 115.26 111.17 1qhk n ASN 21 Ca 0.17 -3.48 -0.11 0.00 -0.60 0.00 0.00 54.58 50.56 1qhk n ASN 21 Cb 0.61 1.70 -0.02 0.00 -0.53 0.00 0.00 39.78 41.54 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 -0.13 -0.44 2.01 0.29 -4.49 115.64 113.17 1qhk s THR 22 Ca 0.27 -0.15 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 1qhk s THR 22 Cb 0.26 -1.15 -0.21 0.00 0.01 0.00 0.00 72.50 71.41 1qhk s THR 22 CO -0.14 0.00 0.64 -0.25 -0.69 0.00 0.00 174.62 174.19 1qhk h TRP 23 N 2.00 -0.00 0.70 4.92 -0.00 -1.83 -1.86 115.95 119.88 1qhk h TRP 23 Ca -0.32 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.54 1qhk h TRP 23 Cb 1.30 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.47 1qhk h TRP 23 CO 0.26 0.82 -0.34 -0.97 -0.00 0.00 0.00 178.44 178.21 1qhk h ASN 24 N -1.00 -0.80 -0.59 2.65 -0.73 -1.97 -2.49 115.58 110.66 1qhk h ASN 24 Ca -0.00 0.02 0.12 0.00 1.87 0.00 0.00 56.30 58.31 1qhk h ASN 24 Cb 0.82 0.21 -0.10 0.00 0.27 0.00 0.00 38.32 39.52 1qhk h ASN 24 CO 0.00 -0.56 0.01 -0.33 -0.37 0.00 0.00 177.43 176.17 1qhk h GLU 25 N -0.95 0.12 0.00 6.67 4.39 -1.95 0.56 114.58 123.42 1qhk h GLU 25 Ca -0.10 -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 29.35 1qhk h GLU 25 CO 0.16 0.08 0.00 0.00 -1.16 0.00 0.00 179.01 178.09 1qhk h LYS 27 N 0.00 0.00 -0.19 0.00 1.57 -1.36 0.48 116.57 117.06 1qhk h LYS 27 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1qhk h LYS 27 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1qhk h LYS 27 CO 0.00 0.00 -0.36 -0.97 -0.57 0.00 0.00 179.45 177.55 1qhk h ASN 28 N 0.00 0.65 1.03 0.86 -1.24 0.25 -1.91 115.58 115.22 1qhk h ASN 28 Ca 0.14 -0.54 -0.13 0.00 0.71 0.00 0.00 56.30 56.48 1qhk h ASN 28 Cb 1.47 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 40.32 1qhk h ASN 28 CO -0.00 1.07 -0.62 1.56 -1.29 0.00 0.00 177.43 178.15 1qhk h GLN 29 N 0.26 0.00 -2.03 6.67 7.50 0.47 -3.41 115.11 124.57 1qhk h GLN 29 Ca 0.01 0.00 -0.39 0.00 0.50 0.00 0.00 58.65 58.76 1qhk h GLN 29 Cb 0.96 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 28.17 1qhk h GLN 29 CO 0.08 0.62 -0.71 0.14 -1.50 0.00 0.00 178.83 177.47 1qhk s VAL 30 N -3.19 -0.27 -0.06 -0.54 -7.23 -0.39 -4.99 120.40 103.74 1qhk s VAL 30 Ca 0.01 -1.07 -0.06 0.00 -1.81 0.00 0.00 61.98 59.05 1qhk s VAL 30 Cb 0.10 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 1qhk s VAL 30 CO 0.75 -0.64 -0.14 -0.67 -0.31 0.00 0.00 175.10 174.10 1qhk n ASP 31 N 4.24 1.10 -3.04 4.85 2.03 -0.73 -4.32 116.55 120.69 1qhk n ASP 31 Ca 0.11 0.17 -0.36 0.00 0.52 0.00 0.00 54.79 55.23 1qhk n ASP 31 Cb 0.44 -0.41 0.02 0.00 -0.72 0.00 0.00 41.12 40.45 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 2.53 5.80 2.82 0.27 0.00 -1.26 -4.88 105.19 110.47 1qhk n GLY 32 Ca -0.13 -2.60 -0.30 0.00 0.00 0.00 0.00 46.02 42.99 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 -3.97 2.51 -2.00 1.61 1.51 -1.26 -4.93 117.35 110.82 1qhk s TYR 33 Ca 0.47 -2.58 0.20 0.00 -1.01 0.00 0.00 57.07 54.16 1qhk s TYR 33 Cb 0.34 -2.25 1.20 0.00 -0.11 0.00 0.00 41.96 41.14 1qhk s TYR 33 CO -0.26 -0.82 1.65 0.41 -1.11 0.00 0.00 175.55 175.42 1qhk n GLY 34 N 3.80 -0.79 0.54 0.71 0.00 -1.26 -3.42 105.19 104.76 1qhk n GLY 34 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.52 0.83 3.73 -0.02 0.00 -1.26 -5.12 105.19 103.87 1qhk n GLY 35 Ca 0.15 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 2.19 0.02 4.61 0.00 -1.22 -4.96 121.76 122.39 1qhk s ALA 36 Ca 0.01 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 52.48 1qhk s ALA 36 Cb 0.01 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1qhk s ALA 36 CO -0.00 -1.75 0.80 -1.50 0.00 0.00 0.00 175.76 173.31 1qhk s ILE 37 N -2.11 4.81 -0.29 0.00 -1.16 -1.26 -5.01 121.20 116.18 1qhk s ILE 37 Ca 0.72 1.70 -0.25 0.00 -0.51 0.00 0.00 60.65 62.30 1qhk s ILE 37 Cb -0.26 -4.15 0.17 0.00 0.61 0.00 0.00 42.46 38.82 1qhk s ILE 37 CO 0.45 0.30 1.29 -0.72 -2.81 0.00 0.00 174.94 173.44 1qhk s TYR 38 N 0.34 -0.21 -0.87 3.50 -0.85 -1.26 -3.66 117.35 114.34 1qhk s TYR 38 Ca 0.41 0.50 -0.00 0.00 -0.52 0.00 0.00 57.07 57.46 1qhk s TYR 38 Cb -0.20 0.44 0.23 0.00 0.38 0.00 0.00 41.96 42.81 1qhk s TYR 38 CO 0.23 -0.11 0.83 1.63 -1.52 0.00 0.00 175.55 176.61 1qhk n LYS 39 N 1.73 2.74 -1.54 -3.49 4.01 0.15 -4.99 118.16 116.77 1qhk n LYS 39 Ca -0.11 -4.52 -0.40 0.00 -0.51 0.00 0.00 58.31 52.78 1qhk n LYS 39 Cb 0.57 -2.39 0.03 0.00 -0.51 0.00 0.00 35.03 32.72 1qhk n LYS 39 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1qhk n LYS 40 N 1.96 0.88 -3.88 1.97 3.00 -1.26 -1.51 118.16 119.32 1qhk n LYS 40 Ca 0.23 0.33 -0.08 0.00 -0.00 0.00 0.00 58.31 58.79 1qhk n LYS 40 Cb 0.37 -1.88 -0.03 0.00 0.00 0.00 0.00 35.03 33.49 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 -1.48 -0.06 -0.09 5.64 0.08 0.91 -4.78 117.98 118.19 1qhk s PHE 41 Ca 0.67 -0.36 0.22 0.00 0.12 0.00 0.00 56.93 57.58 1qhk s PHE 41 Cb -0.50 0.56 0.44 0.00 -0.57 0.00 0.00 43.02 42.95 1qhk s PHE 41 CO 0.54 -1.15 1.17 0.09 -0.10 0.00 0.00 175.22 175.77 1qhk n ASN 42 N -0.43 1.40 -2.96 1.36 4.13 -1.26 -0.44 115.26 117.06 1qhk n ASN 42 Ca -0.04 -2.46 0.03 0.00 1.68 0.00 0.00 54.58 53.79 1qhk n ASN 42 Cb 0.60 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 1qhk n ASN 42 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1qhk s SER 43 N -2.58 -0.64 0.23 6.41 0.15 -1.26 -4.89 113.70 111.12 1qhk s SER 43 Ca 0.35 -0.20 0.17 0.00 0.70 0.00 0.00 55.95 56.97 1qhk s SER 43 Cb 0.38 1.00 0.80 0.00 -1.71 0.00 0.00 66.02 66.49 1qhk s SER 43 CO -0.12 -0.09 0.86 0.00 1.20 0.00 0.00 173.24 175.09 1qhk n TYR 44 N 4.28 0.44 -0.27 3.44 4.19 -1.26 0.25 117.16 128.22 1qhk n TYR 44 Ca 0.07 0.44 -0.05 0.00 3.31 0.00 0.00 57.90 61.67 1qhk n TYR 44 Cb 0.60 -0.83 0.06 0.00 0.49 0.00 0.00 39.34 39.66 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 1.00 0.21 2.98 4.39 -1.97 1.17 114.58 122.35 1qhk h GLU 45 Ca 0.48 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1qhk h GLU 45 Cb 1.50 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1qhk h GLU 45 CO -0.29 0.69 -0.10 1.96 -1.16 0.00 0.00 179.01 180.11 1qhk h GLN 46 N 1.01 -0.27 -0.44 2.33 4.20 0.29 0.38 115.11 122.61 1qhk h GLN 46 Ca 0.27 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.09 1qhk h GLN 46 Cb -0.07 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 1qhk h GLN 46 CO -0.05 0.12 -0.12 0.00 -0.67 0.00 0.00 178.83 178.11 1qhk h ALA 47 N -0.22 0.28 0.37 3.87 0.00 -1.31 -0.25 119.26 122.01 1qhk h ALA 47 Ca -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1qhk h ALA 47 Cb 0.51 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1qhk h ALA 47 CO 0.05 -0.45 -0.32 -0.22 0.00 0.00 0.00 179.25 178.31 1qhk h LYS 48 N -0.01 -0.65 -1.20 0.00 3.64 0.15 0.49 116.57 118.99 1qhk h LYS 48 Ca 0.21 0.04 0.43 0.00 -1.27 0.00 0.00 60.65 60.07 1qhk h LYS 48 Cb 0.33 0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.15 1qhk h LYS 48 CO -0.46 -0.43 0.73 1.03 -2.27 0.00 0.00 179.45 178.05 1qhk h SER 49 N -0.67 0.28 0.43 4.20 0.87 -0.41 2.13 113.55 120.38 1qhk h SER 49 Ca -0.05 0.19 -0.23 0.00 -1.23 0.00 0.00 61.79 60.47 1qhk h SER 49 Cb 0.57 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1qhk h SER 49 CO -0.01 -0.29 -0.99 0.15 -0.53 0.00 0.00 176.83 175.16 1qhk h PHE 50 N 0.05 0.54 -0.06 2.24 3.04 0.11 -3.30 116.94 119.57 1qhk h PHE 50 Ca 0.84 -0.31 0.04 0.00 3.98 0.00 0.00 57.97 62.52 1qhk h PHE 50 Cb 2.46 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 40.86 1qhk h PHE 50 CO -0.01 1.15 -0.33 -0.07 -2.02 0.00 0.00 178.31 177.03 1qhk h LEU 51 N 0.18 -1.02 0.00 0.59 3.38 0.84 -3.51 115.31 115.77 1qhk h LEU 51 Ca -0.08 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1qhk h LEU 51 Cb 1.64 0.42 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1qhk h LEU 51 CO 0.17 -0.38 0.00 0.61 0.09 0.00 0.00 178.44 178.92