#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 0.50 -4.89 1.61 5.03 -0.60 -4.61 115.26 112.30 1qhk n ASN 7 Ca 0.00 -1.15 -0.27 0.00 0.87 0.00 0.00 54.58 54.03 1qhk n ASN 7 Cb 0.00 0.09 -0.04 0.00 -1.02 0.00 0.00 39.78 38.81 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 -1.85 3.38 -0.24 3.10 0.40 0.26 0.14 117.98 123.17 1qhk s PHE 8 Ca 0.02 0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.41 1qhk s PHE 8 Cb 0.00 -1.63 0.12 0.00 0.51 0.00 0.00 43.02 42.02 1qhk s PHE 8 CO 0.01 0.52 0.28 -0.47 0.70 0.00 0.00 175.22 176.27 1qhk s TYR 9 N -1.71 -0.47 -0.91 0.36 6.14 -0.56 -0.46 117.35 119.73 1qhk s TYR 9 Ca 0.33 0.27 -0.24 0.00 0.64 0.00 0.00 57.07 58.07 1qhk s TYR 9 Cb -0.11 -0.29 0.04 0.00 0.42 0.00 0.00 41.96 42.02 1qhk s TYR 9 CO 0.27 -0.72 1.43 0.00 0.64 0.00 0.00 175.55 177.16 1qhk s ALA 10 N 2.39 2.66 0.40 3.97 0.00 -0.25 -0.64 121.76 130.29 1qhk s ALA 10 Ca 0.09 -1.90 0.08 0.00 0.00 0.00 0.00 51.96 50.23 1qhk s ALA 10 Cb -0.15 -4.44 -0.06 0.00 0.00 0.00 0.00 23.12 18.47 1qhk s ALA 10 CO -0.19 -3.57 0.09 0.08 0.00 0.00 0.00 175.76 172.17 1qhk s VAL 11 N 5.55 2.28 -0.49 0.00 1.01 -0.50 -0.58 120.40 127.67 1qhk s VAL 11 Ca 0.44 -1.85 -0.00 0.00 0.00 0.00 0.00 61.98 60.57 1qhk s VAL 11 Cb -0.03 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 1qhk s VAL 11 CO -0.01 -0.05 0.47 -1.14 0.00 0.00 0.00 175.10 174.37 1qhk n ARG 12 N -1.09 -0.89 0.00 2.72 0.63 -1.22 0.36 116.66 117.17 1qhk n ARG 12 Ca -0.03 1.13 0.09 0.00 -0.92 0.00 0.00 57.85 58.12 1qhk n ARG 12 Cb 0.65 -4.31 0.43 0.00 0.45 0.00 0.00 32.46 29.68 1qhk n ARG 12 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1qhk n LYS 13 N -1.55 0.13 0.00 -0.14 2.85 -1.26 -2.99 118.16 115.20 1qhk n LYS 13 Ca -0.00 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 1qhk n LYS 13 Cb 0.50 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 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 0.35 -3.09 2.93 2.58 0.00 -1.26 -4.50 105.19 102.19 1qhk n GLY 14 Ca 0.07 0.33 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.75 1.55 -0.21 1.61 3.00 -1.26 -4.93 118.95 116.96 1qhk s ARG 15 Ca 0.00 -1.06 -0.05 0.00 -1.00 0.00 0.00 55.73 53.62 1qhk s ARG 15 Cb 0.00 -2.59 0.02 0.00 0.00 0.00 0.00 34.95 32.37 1qhk s ARG 15 CO 0.00 -0.65 0.09 -1.91 0.00 0.00 0.00 175.30 172.83 1qhk n GLU 16 N 4.65 -3.40 -1.69 5.12 2.13 -1.26 -4.86 120.64 121.33 1qhk n GLU 16 Ca -0.10 2.71 -0.37 0.00 0.66 0.00 0.00 57.16 60.06 1qhk n GLU 16 Cb 0.44 -4.46 0.06 0.00 0.27 0.00 0.00 31.44 27.75 1qhk n GLU 16 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1qhk n THR 17 N 1.28 4.41 -3.97 6.31 -1.04 -1.16 -4.88 114.28 115.23 1qhk n THR 17 Ca -0.15 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.01 1qhk n THR 17 Cb 0.29 -1.38 -0.14 0.00 -1.82 0.00 0.00 70.33 67.28 1qhk n THR 17 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1qhk s GLY 18 N -1.29 1.59 -0.42 3.41 0.00 0.16 -4.82 107.32 105.94 1qhk s GLY 18 Ca 0.79 -1.16 -0.25 0.00 0.00 0.00 0.00 44.72 44.11 1qhk s GLY 18 CO 0.43 0.38 0.88 -0.42 0.00 0.00 0.00 173.10 174.37 1qhk s ILE 19 N 1.40 4.57 0.74 0.90 1.01 -1.23 -1.41 121.20 127.18 1qhk s ILE 19 Ca 0.05 0.83 -0.12 0.00 0.00 0.00 0.00 60.65 61.41 1qhk s ILE 19 Cb -0.14 -4.35 0.17 0.00 0.01 0.00 0.00 42.46 38.14 1qhk s ILE 19 CO -0.04 -0.67 1.01 -1.22 0.00 0.00 0.00 174.94 174.02 1qhk n TYR 20 N 6.87 -3.89 -2.73 3.97 4.01 0.19 -4.64 117.16 120.94 1qhk n TYR 20 Ca 0.05 -0.97 -0.08 0.00 -0.16 0.00 0.00 57.90 56.74 1qhk n TYR 20 Cb 0.48 -0.77 0.08 0.00 -0.31 0.00 0.00 39.34 38.82 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 -3.59 -2.35 -3.70 7.72 5.15 -1.16 -1.50 115.26 115.84 1qhk n ASN 21 Ca 0.13 -3.42 -0.09 0.00 -0.60 0.00 0.00 54.58 50.60 1qhk n ASN 21 Cb 0.45 1.82 -0.02 0.00 -0.53 0.00 0.00 39.78 41.50 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 0.34 0.00 -0.08 -0.44 2.01 0.37 -4.69 115.64 113.15 1qhk s THR 22 Ca 0.24 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.35 1qhk s THR 22 Cb 0.28 -1.62 -0.25 0.00 0.01 0.00 0.00 72.50 70.91 1qhk s THR 22 CO -0.11 -0.01 0.94 -0.25 -0.69 0.00 0.00 174.62 174.51 1qhk h TRP 23 N 2.01 0.21 0.60 4.92 -0.00 -1.81 -1.54 115.95 120.33 1qhk h TRP 23 Ca -0.25 -0.13 -0.03 0.00 -0.00 0.00 0.00 58.89 58.49 1qhk h TRP 23 Cb 1.27 -0.02 0.01 0.00 -0.00 0.00 0.00 29.16 30.42 1qhk h TRP 23 CO 0.35 0.99 -0.29 -0.91 -0.00 0.00 0.00 178.44 178.59 1qhk h ASN 24 N -0.64 -0.68 -1.15 2.65 -0.26 -1.96 -2.39 115.58 111.15 1qhk h ASN 24 Ca -0.04 -0.02 0.39 0.00 -0.56 0.00 0.00 56.30 56.07 1qhk h ASN 24 Cb 1.07 0.18 -0.14 0.00 -1.06 0.00 0.00 38.32 38.37 1qhk h ASN 24 CO 0.05 -0.30 0.70 -0.33 -1.06 0.00 0.00 177.43 176.49 1qhk h GLU 25 N -1.12 0.16 0.00 0.81 4.39 -1.95 2.08 114.58 118.95 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 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1qhk h GLU 25 CO 0.13 0.10 0.00 0.00 -1.16 0.00 0.00 179.01 178.09 1qhk h LYS 27 N 0.00 -0.04 -0.65 0.00 1.79 -1.19 0.12 116.57 116.60 1qhk h LYS 27 Ca 0.00 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.61 1qhk h LYS 27 Cb 0.00 0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 30.55 1qhk h LYS 27 CO 0.00 -0.03 -0.00 -0.97 -1.08 0.00 0.00 179.45 177.37 1qhk h ASN 28 N -0.05 -0.30 0.44 0.86 -1.24 0.33 1.52 115.58 117.14 1qhk h ASN 28 Ca 0.28 0.16 -0.05 0.00 0.71 0.00 0.00 56.30 57.40 1qhk h ASN 28 Cb 0.48 0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 1qhk h ASN 28 CO -0.63 -0.13 -0.25 1.56 -1.29 0.00 0.00 177.43 176.69 1qhk h GLN 29 N 0.11 0.00 -1.45 6.67 1.08 0.99 -3.37 115.11 119.15 1qhk h GLN 29 Ca 0.34 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.25 1qhk h GLN 29 Cb 0.56 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.76 1qhk h GLN 29 CO -0.56 0.25 -0.65 0.14 -0.95 0.00 0.00 178.83 177.06 1qhk s VAL 30 N -4.14 -0.57 -0.63 -0.54 -7.23 0.28 -5.03 120.40 102.55 1qhk s VAL 30 Ca -0.02 -1.51 0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1qhk s VAL 30 Cb 0.13 -0.41 0.29 0.00 0.56 0.00 0.00 36.38 36.95 1qhk s VAL 30 CO 0.66 -0.40 0.85 -0.67 -0.31 0.00 0.00 175.10 175.23 1qhk n ASP 31 N 2.94 4.14 0.00 4.85 2.03 0.44 -4.44 116.55 126.52 1qhk n ASP 31 Ca 0.22 -3.55 0.00 0.00 0.52 0.00 0.00 54.79 51.98 1qhk n ASP 31 Cb 0.53 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.42 1.11 3.09 0.27 0.00 -1.26 -5.02 105.19 103.79 1qhk n GLY 32 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.53 3.62 -0.64 1.61 1.51 -1.26 -4.92 117.35 115.74 1qhk s TYR 33 Ca 0.00 -2.58 0.25 0.00 -1.01 0.00 0.00 57.07 53.73 1qhk s TYR 33 Cb 0.00 -3.15 0.89 0.00 -0.11 0.00 0.00 41.96 39.59 1qhk s TYR 33 CO 0.00 -0.96 1.75 0.41 -1.11 0.00 0.00 175.55 175.64 1qhk n GLY 34 N 4.45 -1.51 0.03 0.71 0.00 -1.26 -3.33 105.19 104.29 1qhk n GLY 34 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.74 -0.55 3.41 -0.02 0.00 -1.26 -5.01 105.19 102.51 1qhk n GLY 35 Ca 0.04 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.15 -1.76 -2.78 4.61 0.00 -1.21 -4.96 120.51 112.26 1qhk n ALA 36 Ca -0.10 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.86 1qhk n ALA 36 Cb 0.57 -1.75 -0.11 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.85 4.03 -0.29 0.00 -1.16 -1.26 -5.04 121.20 115.63 1qhk s ILE 37 Ca 0.64 -0.33 -0.23 0.00 -0.51 0.00 0.00 60.65 60.22 1qhk s ILE 37 Cb -0.40 -2.72 0.17 0.00 0.61 0.00 0.00 42.46 40.12 1qhk s ILE 37 CO 0.59 0.55 1.29 -0.72 -2.81 0.00 0.00 174.94 173.84 1qhk s TYR 38 N -0.29 -0.19 -0.34 3.50 -0.85 -1.26 -3.38 117.35 114.54 1qhk s TYR 38 Ca 0.05 0.44 0.01 0.00 -0.52 0.00 0.00 57.07 57.05 1qhk s TYR 38 Cb -0.12 0.39 0.09 0.00 0.38 0.00 0.00 41.96 42.69 1qhk s TYR 38 CO 0.02 -0.09 0.05 0.15 -1.52 0.00 0.00 175.55 174.17 1qhk s LYS 39 N 0.30 1.95 1.02 -3.49 3.01 0.25 -4.99 119.74 117.79 1qhk s LYS 39 Ca 0.03 -1.64 -0.12 0.00 -1.01 0.00 0.00 55.97 53.23 1qhk s LYS 39 Cb -0.05 -3.25 0.15 0.00 -1.01 0.00 0.00 37.83 33.68 1qhk s LYS 39 CO -0.13 -0.85 0.79 1.63 0.51 0.00 0.00 175.35 177.31 1qhk n LYS 40 N 4.45 -1.07 -3.52 1.68 5.02 -1.26 -1.09 118.16 122.37 1qhk n LYS 40 Ca -0.04 -0.27 -0.11 0.00 -2.02 0.00 0.00 58.31 55.87 1qhk n LYS 40 Cb 0.42 -2.12 -0.02 0.00 -0.02 0.00 0.00 35.03 33.29 1qhk n LYS 40 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1qhk s PHE 41 N -2.47 -0.43 -0.20 2.13 0.08 0.39 -4.65 117.98 112.82 1qhk s PHE 41 Ca 0.64 0.17 0.21 0.00 0.12 0.00 0.00 56.93 58.06 1qhk s PHE 41 Cb -0.22 0.53 0.48 0.00 -0.57 0.00 0.00 43.02 43.24 1qhk s PHE 41 CO 0.63 -0.88 1.14 -1.71 -0.10 0.00 0.00 175.22 174.30 1qhk n ASN 42 N -0.37 1.92 0.00 1.36 5.15 -1.26 -0.57 115.26 121.49 1qhk n ASN 42 Ca -0.15 -2.35 0.00 0.00 -0.60 0.00 0.00 54.58 51.48 1qhk n ASN 42 Cb 0.64 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 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 -0.40 0.00 -0.24 1.20 2.88 -1.26 -4.97 113.62 110.83 1qhk n SER 43 Ca 0.13 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.87 1qhk n SER 43 Cb 0.89 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.74 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 0.77 -0.28 0.66 4.19 -1.26 0.14 117.16 121.38 1qhk n TYR 44 Ca 0.00 0.88 0.09 0.00 3.31 0.00 0.00 57.90 62.18 1qhk n TYR 44 Cb 0.00 -1.24 0.24 0.00 0.49 0.00 0.00 39.34 38.83 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 0.29 0.01 2.98 5.08 -1.97 2.76 114.58 123.73 1qhk h GLU 45 Ca 0.59 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1qhk h GLU 45 Cb 1.49 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1qhk h GLU 45 CO -0.60 0.19 -0.00 1.96 -1.00 0.00 0.00 179.01 179.56 1qhk h GLN 46 N 0.30 -0.01 -0.37 2.33 4.20 0.78 -1.06 115.11 121.29 1qhk h GLN 46 Ca 0.49 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.28 1qhk h GLN 46 Cb 0.89 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.60 1qhk h GLN 46 CO -0.55 0.81 -0.15 0.00 -0.67 0.00 0.00 178.83 178.28 1qhk h ALA 47 N -0.07 0.16 0.08 3.87 0.00 -0.78 -0.59 119.26 121.92 1qhk h ALA 47 Ca -0.00 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1qhk h ALA 47 Cb 0.83 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1qhk h ALA 47 CO 0.00 -0.51 -0.11 -0.22 0.00 0.00 0.00 179.25 178.41 1qhk h LYS 48 N -0.07 -0.22 -0.98 0.00 3.64 0.48 0.24 116.57 119.65 1qhk h LYS 48 Ca 0.18 0.02 0.33 0.00 -1.27 0.00 0.00 60.65 59.91 1qhk h LYS 48 Cb 0.35 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.06 1qhk h LYS 48 CO -0.42 -0.15 0.45 1.03 -2.27 0.00 0.00 179.45 178.09 1qhk h SER 49 N -0.23 0.27 0.43 4.20 0.87 0.21 2.09 113.55 121.39 1qhk h SER 49 Ca 0.02 0.22 -0.22 0.00 -1.23 0.00 0.00 61.79 60.58 1qhk h SER 49 Cb 0.24 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1qhk h SER 49 CO -0.06 -0.25 -0.92 0.15 -0.53 0.00 0.00 176.83 175.22 1qhk h PHE 50 N 0.17 0.49 0.00 2.24 3.57 0.21 -3.37 116.94 120.25 1qhk h PHE 50 Ca 0.73 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.96 1qhk h PHE 50 Cb 1.71 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.40 1qhk h PHE 50 CO -0.10 1.08 0.00 1.28 -2.23 0.00 0.00 178.31 178.34 1qhk n LEU 51 N -3.71 1.60 0.00 0.59 4.32 0.66 -5.05 117.00 115.42 1qhk n LEU 51 Ca -0.05 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1qhk n LEU 51 Cb 0.83 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.59 1qhk n LEU 51 CO 0.50 -0.04 0.19 0.61 -1.22 0.00 0.00 177.39 177.43