#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgk s ALA 12 N 0.00 1.54 -0.50 0.00 0.00 -1.26 -5.02 121.76 116.52 1qgk s ALA 12 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1qgk s ALA 12 Cb 0.00 -0.97 0.48 0.00 0.00 0.00 0.00 23.12 22.63 1qgk s ALA 12 CO 0.00 -0.40 1.72 0.54 0.00 0.00 0.00 175.76 177.62 1qgk n ARG 13 N 4.86 2.84 -0.34 0.00 1.74 -1.26 -4.74 116.66 119.76 1qgk n ARG 13 Ca -0.14 -3.52 0.10 0.00 -0.77 0.00 0.00 57.85 53.52 1qgk n ARG 13 Cb 0.50 -2.23 0.28 0.00 -1.02 0.00 0.00 32.46 29.99 1qgk n ARG 13 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1qgk h LEU 14 N 1.86 0.78 -1.71 0.55 3.38 -1.97 0.15 115.31 118.34 1qgk h LEU 14 Ca 0.50 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1qgk h LEU 14 Cb 1.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1qgk h LEU 14 CO 1.18 0.32 0.13 1.12 0.09 0.00 0.00 178.44 181.28 1qgk h HIS 15 N 0.80 0.00 -0.01 1.13 2.07 -1.90 0.14 115.15 117.38 1qgk h HIS 15 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 1qgk h HIS 15 Cb 0.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 1qgk h HIS 15 CO -0.02 0.00 -0.29 0.54 -3.07 0.00 0.00 177.93 175.09 1qgk n ARG 16 N -2.48 1.27 -2.82 5.12 5.12 0.51 -2.34 116.66 121.04 1qgk n ARG 16 Ca -0.02 -0.94 -0.43 0.00 -1.93 0.00 0.00 57.85 54.54 1qgk n ARG 16 Cb 0.17 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 29.95 1qgk n ARG 16 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1qgk s PHE 17 N -2.37 3.05 0.00 -1.55 5.36 0.50 -4.90 117.98 118.07 1qgk s PHE 17 Ca 0.24 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 1qgk s PHE 17 Cb 0.19 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 1qgk s PHE 17 CO 0.49 -0.88 0.00 1.63 -1.46 0.00 0.00 175.22 175.01 1qgk n LYS 18 N 6.84 0.00 -0.37 10.12 5.02 -1.26 -1.08 118.16 137.43 1qgk n LYS 18 Ca 0.07 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 1qgk n LYS 18 Cb 0.48 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.72 1qgk n LYS 18 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qgk n ASN 19 N 5.34 3.59 -0.25 4.39 3.02 -1.26 -4.69 115.26 125.39 1qgk n ASN 19 Ca 0.00 -2.88 -0.06 0.00 -0.03 0.00 0.00 54.58 51.60 1qgk n ASN 19 Cb 0.00 -0.49 0.05 0.00 -0.61 0.00 0.00 39.78 38.73 1qgk n ASN 19 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1qgk h LYS 20 N 1.62 1.04 0.00 3.52 1.63 -1.36 -2.59 116.57 120.44 1qgk h LYS 20 Ca 0.00 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1qgk h LYS 20 Cb 1.30 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1qgk h LYS 20 CO 0.17 0.86 0.00 0.41 -3.45 0.00 0.00 179.45 177.44 1qgk n GLY 21 N -0.87 -0.94 2.48 5.01 0.00 -0.99 -3.92 105.19 105.97 1qgk n GLY 21 Ca 0.05 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1qgk n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qgk n LYS 22 N -1.41 3.20 -0.71 1.61 5.02 -0.97 -4.71 118.16 120.19 1qgk n LYS 22 Ca 0.05 -2.74 -0.05 0.00 -2.02 0.00 0.00 58.31 53.55 1qgk n LYS 22 Cb 0.16 -2.32 0.03 0.00 -0.02 0.00 0.00 35.03 32.88 1qgk n LYS 22 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1qgk n ASP 23 N 1.19 0.15 -0.18 4.39 5.75 -1.25 -4.81 116.55 121.78 1qgk n ASP 23 Ca 0.54 -1.16 -0.10 0.00 -0.01 0.00 0.00 54.79 54.06 1qgk n ASP 23 Cb 0.45 -0.16 0.01 0.00 -1.03 0.00 0.00 41.12 40.38 1qgk n ASP 23 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1qgk h SER 24 N -0.23 0.90 -0.58 -1.12 4.64 -1.96 -0.73 113.55 114.47 1qgk h SER 24 Ca -0.07 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1qgk h SER 24 Cb 0.24 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1qgk h SER 24 CO 0.07 0.97 0.38 0.74 -0.87 0.00 0.00 176.83 178.11 1qgk h THR 25 N 0.79 1.15 -0.23 2.95 2.02 -1.96 0.72 112.91 118.35 1qgk h THR 25 Ca 0.15 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1qgk h THR 25 Cb 0.51 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1qgk h THR 25 CO 0.02 0.15 -0.37 -0.08 0.37 0.00 0.00 175.52 175.61 1qgk h GLU 26 N 0.78 0.53 -0.13 6.66 4.57 -1.81 -1.53 114.58 123.65 1qgk h GLU 26 Ca 0.21 -0.25 -0.19 0.00 -1.18 0.00 0.00 59.36 57.95 1qgk h GLU 26 Cb -0.08 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1qgk h GLU 26 CO -0.04 0.82 -0.70 0.52 -1.18 0.00 0.00 179.01 178.43 1qgk h MET 27 N 0.44 0.57 -0.42 1.92 2.86 -0.77 -1.69 114.93 117.83 1qgk h MET 27 Ca 0.04 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.21 1qgk h MET 27 Cb 0.85 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1qgk h MET 27 CO 0.07 1.06 0.13 -0.09 1.06 0.00 0.00 176.91 179.14 1qgk h ARG 28 N 0.40 0.65 -0.69 1.72 2.43 -0.74 -0.33 114.38 117.83 1qgk h ARG 28 Ca -0.03 -0.14 0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1qgk h ARG 28 Cb 1.28 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 1qgk h ARG 28 CO 0.13 0.64 0.36 -0.09 -1.51 0.00 0.00 179.97 179.51 1qgk h ARG 29 N 0.54 0.63 -0.53 0.20 2.43 -1.16 -1.02 114.38 115.47 1qgk h ARG 29 Ca 0.14 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1qgk h ARG 29 Cb 0.26 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1qgk h ARG 29 CO -0.00 0.42 -0.07 0.00 -1.51 0.00 0.00 179.97 178.80 1qgk h ARG 30 N 0.65 0.96 -0.68 0.20 3.08 -0.95 -1.96 114.38 115.68 1qgk h ARG 30 Ca 0.32 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1qgk h ARG 30 Cb 0.26 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1qgk h ARG 30 CO -0.22 0.99 0.42 -0.09 -1.07 0.00 0.00 179.97 180.00 1qgk h ARG 31 N 0.87 0.78 -0.44 0.04 2.43 -0.03 0.03 114.38 118.06 1qgk h ARG 31 Ca 0.15 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1qgk h ARG 31 Cb 0.61 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1qgk h ARG 31 CO 0.04 0.52 -0.03 0.82 -1.51 0.00 0.00 179.97 179.80 1qgk h ILE 32 N 0.80 1.24 -0.05 1.20 2.04 -1.05 -2.24 117.51 119.46 1qgk h ILE 32 Ca 0.28 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1qgk h ILE 32 Cb 0.06 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1qgk h ILE 32 CO -0.12 0.35 0.02 -0.08 0.00 0.00 0.00 178.15 178.32 1qgk h GLU 33 N 0.68 0.07 -0.78 2.37 4.81 -0.43 -0.19 114.58 121.10 1qgk h GLU 33 Ca 0.13 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1qgk h GLU 33 Cb 0.47 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 1qgk h GLU 33 CO 0.02 0.14 0.51 0.28 -0.73 0.00 0.00 179.01 179.24 1qgk h VAL 34 N -0.03 1.04 0.14 0.32 2.07 -0.78 -1.43 116.25 117.58 1qgk h VAL 34 Ca 0.02 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1qgk h VAL 34 Cb 0.10 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1qgk h VAL 34 CO -0.00 0.15 -0.07 0.78 0.02 0.00 0.00 177.57 178.46 1qgk h ASN 35 N 0.85 -0.16 -0.55 0.57 2.35 -0.92 -0.79 115.58 116.93 1qgk h ASN 35 Ca 0.34 -0.33 0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1qgk h ASN 35 Cb 0.23 0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.56 1qgk h ASN 35 CO -0.12 0.28 0.14 0.58 -1.65 0.00 0.00 177.43 176.67 1qgk h VAL 36 N -0.64 0.71 0.00 2.81 2.07 -0.77 0.25 116.25 120.68 1qgk h VAL 36 Ca -0.02 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1qgk h VAL 36 Cb 0.48 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1qgk h VAL 36 CO 0.03 0.05 -0.38 -0.08 0.02 0.00 0.00 177.57 177.21 1qgk h GLU 37 N 0.29 0.00 0.00 1.57 4.81 -1.30 -2.43 114.58 117.52 1qgk h GLU 37 Ca 0.28 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1qgk h GLU 37 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1qgk h GLU 37 CO -0.34 0.38 -0.68 1.25 -0.73 0.00 0.00 179.01 178.89 1qgk h LEU 38 N 0.00 0.00 -0.37 1.64 5.85 0.62 -2.68 115.31 120.37 1qgk h LEU 38 Ca -0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1qgk h LEU 38 Cb 0.75 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1qgk h LEU 38 CO 0.05 0.68 -0.24 0.03 -0.34 0.00 0.00 178.44 178.62 1qgk h ARG 39 N 0.00 0.81 0.36 1.25 3.08 -0.16 -2.79 114.38 116.94 1qgk h ARG 39 Ca -0.01 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 1qgk h ARG 39 Cb 1.23 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1qgk h ARG 39 CO 0.09 1.02 -0.27 0.87 -1.07 0.00 0.00 179.97 180.60 1qgk h LYS 40 N 0.61 -0.61 -0.98 0.04 1.57 -1.35 0.10 116.57 115.95 1qgk h LYS 40 Ca 0.07 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.13 1qgk h LYS 40 Cb 0.81 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 33.14 1qgk h LYS 40 CO 0.07 -0.41 0.56 0.00 -0.57 0.00 0.00 179.45 179.09 1qgk h ALA 41 N -0.08 1.69 0.07 3.86 0.00 -1.46 1.64 119.26 124.99 1qgk h ALA 41 Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qgk h ALA 41 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1qgk h ALA 41 CO -0.00 -0.24 -0.04 0.87 0.00 0.00 0.00 179.25 179.84 1qgk h LYS 42 N 0.58 -0.09 -0.29 0.00 6.56 -1.17 -2.45 116.57 119.69 1qgk h LYS 42 Ca 0.61 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 60.18 1qgk h LYS 42 Cb 1.13 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.80 1qgk h LYS 42 CO -0.47 0.37 0.08 0.87 -2.06 0.00 0.00 179.45 178.23 1qgk h LYS 43 N -0.60 0.46 -0.55 3.15 1.57 0.98 -1.57 116.57 120.02 1qgk h LYS 43 Ca -0.01 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1qgk h LYS 43 Cb 0.50 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1qgk h LYS 43 CO 0.02 0.54 0.21 -0.44 -0.57 0.00 0.00 179.45 179.21 1qgk h ASP 44 N 0.31 0.73 1.78 0.86 3.32 0.22 -1.17 116.42 122.46 1qgk h ASP 44 Ca 0.09 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qgk h ASP 44 Cb 0.28 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1qgk h ASP 44 CO 0.00 0.66 -0.06 -0.78 -1.72 0.00 0.00 179.24 177.35 1qgk h ASP 45 N 0.79 0.00 0.57 6.45 1.82 -1.36 -2.17 116.42 122.52 1qgk h ASP 45 Ca 0.19 -0.01 -0.28 0.00 -0.39 0.00 0.00 57.03 56.54 1qgk h ASP 45 Cb 0.17 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 1qgk h ASP 45 CO -0.02 0.00 -1.47 -0.61 -1.61 0.00 0.00 179.24 175.54 1qgk h GLN 46 N 0.00 0.13 0.01 0.28 4.15 -0.63 -3.21 115.11 115.85 1qgk h GLN 46 Ca 0.00 -0.23 -0.23 0.00 0.77 0.00 0.00 58.65 58.96 1qgk h GLN 46 Cb 0.92 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1qgk h GLN 46 CO 0.00 0.94 -0.96 0.52 -1.93 0.00 0.00 178.83 177.40 1qgk h MET 47 N 0.04 0.41 0.00 1.69 2.86 -1.26 -3.08 114.93 115.58 1qgk h MET 47 Ca -0.21 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 56.98 1qgk h MET 47 Cb 1.96 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.75 1qgk h MET 47 CO 0.13 1.12 0.00 1.25 1.06 0.00 0.00 176.91 180.47 1qgk h LEU 48 N 0.22 0.00 -1.17 1.22 6.46 -1.49 -1.62 115.31 118.94 1qgk h LEU 48 Ca -0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1qgk h LEU 48 Cb 1.61 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.54 1qgk h LEU 48 CO 0.17 0.00 -0.27 0.29 -0.62 0.00 0.00 178.44 178.01 1qgk n LYS 49 N -2.94 1.49 -0.12 1.25 5.02 -1.17 -2.76 118.16 118.93 1qgk n LYS 49 Ca -0.00 -1.17 -0.24 0.00 -2.02 0.00 0.00 58.31 54.88 1qgk n LYS 49 Cb 0.21 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 1qgk n LYS 49 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qgk n ARG 50 N 0.27 0.57 -0.04 1.97 1.74 -0.68 -4.43 116.66 116.06 1qgk n ARG 50 Ca 0.12 0.48 -0.07 0.00 -0.77 0.00 0.00 57.85 57.61 1qgk n ARG 50 Cb 0.47 -1.67 0.11 0.00 -1.02 0.00 0.00 32.46 30.36 1qgk n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qgk h ARG 51 N -1.00 0.64 -2.68 5.56 3.08 -1.54 -3.49 114.38 114.95 1qgk h ARG 51 Ca -0.46 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.31 1qgk h ARG 51 Cb 1.40 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1qgk h ARG 51 CO -0.28 0.87 0.00 0.09 -1.07 0.00 0.00 179.97 179.58 1qgk n ASN 52 N -4.08 -1.79 -1.40 7.04 3.02 -1.11 -5.11 115.26 111.82 1qgk n ASN 52 Ca -0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1qgk n ASN 52 Cb 0.46 -0.89 -0.01 0.00 -0.61 0.00 0.00 39.78 38.73 1qgk n ASN 52 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qgk n VAL 53 N -0.46 0.00 0.00 2.41 0.31 -1.18 -5.08 118.33 114.33 1qgk n VAL 53 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1qgk n VAL 53 Cb 0.02 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 1qgk n VAL 53 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27