#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg n ILE 4 N 0.00 0.00 -3.42 -0.61 -5.35 -1.26 -4.84 119.36 103.88 2qbg n ILE 4 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 2qbg n ILE 4 Cb 0.00 -0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 37.57 2qbg n ILE 4 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2qbg s ARG 5 N -0.57 3.16 0.72 6.28 1.81 -1.26 -4.54 118.95 124.55 2qbg s ARG 5 Ca 0.00 -2.24 -0.13 0.00 -1.72 0.00 0.00 55.73 51.64 2qbg s ARG 5 Cb 0.00 -4.22 0.03 0.00 -0.45 0.00 0.00 34.95 30.31 2qbg s ARG 5 CO 0.00 -1.27 1.10 -1.21 -0.68 0.00 0.00 175.30 173.25 2qbg s GLU 6 N 0.55 2.49 0.18 3.54 8.01 -0.76 -4.66 118.70 128.05 2qbg s GLU 6 Ca 0.13 1.29 -0.19 0.00 0.01 0.00 0.00 54.97 56.21 2qbg s GLU 6 Cb -0.18 -1.92 -0.08 0.00 -4.31 0.00 0.00 34.13 27.65 2qbg s GLU 6 CO -0.05 -1.47 0.67 0.15 0.01 0.00 0.00 175.26 174.57 2qbg s LYS 7 N -4.51 4.24 0.19 1.61 1.02 -1.26 -0.76 119.74 120.27 2qbg s LYS 7 Ca 0.64 0.82 0.11 0.00 0.02 0.00 0.00 55.97 57.56 2qbg s LYS 7 Cb -0.19 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 2qbg s LYS 7 CO 0.49 0.47 -0.23 0.42 -0.92 0.00 0.00 175.35 175.58 2qbg s ILE 8 N -1.40 2.43 -0.38 2.17 -1.09 0.60 -4.88 121.20 118.65 2qbg s ILE 8 Ca 0.39 -1.97 0.03 0.00 -2.23 0.00 0.00 60.65 56.86 2qbg s ILE 8 Cb -0.18 -2.16 0.11 0.00 -1.58 0.00 0.00 42.46 38.65 2qbg s ILE 8 CO 0.21 -0.10 0.13 -1.59 -1.23 0.00 0.00 174.94 172.36 2qbg s LYS 9 N -2.64 1.36 -0.40 2.79 0.00 -1.26 -1.91 119.74 117.69 2qbg s LYS 9 Ca 0.21 -1.85 -0.28 0.00 0.00 0.00 0.00 55.97 54.05 2qbg s LYS 9 Cb -0.08 -2.80 -0.00 0.00 0.00 0.00 0.00 37.83 34.94 2qbg s LYS 9 CO 0.10 -1.02 1.62 -0.51 0.00 0.00 0.00 175.35 175.54 2qbg s LEU 10 N 0.76 3.52 0.26 2.77 1.02 0.34 -4.61 118.68 122.75 2qbg s LEU 10 Ca 0.13 0.97 -0.07 0.00 0.02 0.00 0.00 54.13 55.19 2qbg s LEU 10 Cb -0.21 -3.43 -0.06 0.00 0.02 0.00 0.00 46.19 42.52 2qbg s LEU 10 CO -0.09 -1.64 0.54 -0.69 0.02 0.00 0.00 176.35 174.49 2qbg s VAL 11 N 6.38 5.00 0.32 -1.59 1.01 -0.78 0.30 120.40 131.03 2qbg s VAL 11 Ca 0.69 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.63 2qbg s VAL 11 Cb -0.17 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 2qbg s VAL 11 CO 0.32 -0.21 0.93 -0.55 0.00 0.00 0.00 175.10 175.59 2qbg s SER 12 N -2.83 7.34 0.50 3.32 0.15 -1.09 0.58 113.70 121.65 2qbg s SER 12 Ca 0.45 1.82 0.29 0.00 0.70 0.00 0.00 55.95 59.21 2qbg s SER 12 Cb -0.11 -2.57 1.03 0.00 -1.71 0.00 0.00 66.02 62.65 2qbg s SER 12 CO 0.27 -0.06 1.86 0.77 1.20 0.00 0.00 173.24 177.28 2qbg h SER 13 N 3.21 0.00 -4.25 5.45 4.64 -1.81 -3.44 113.55 117.34 2qbg h SER 13 Ca -0.47 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.36 2qbg h SER 13 Cb 1.19 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.34 2qbg h SER 13 CO 0.65 0.07 0.38 0.00 -0.87 0.00 0.00 176.83 177.06 2qbg s ALA 14 N -3.56 2.85 0.40 5.18 0.00 -1.26 -4.91 121.76 120.47 2qbg s ALA 14 Ca 0.02 0.21 0.27 0.00 0.00 0.00 0.00 51.96 52.46 2qbg s ALA 14 Cb 0.08 -3.17 1.49 0.00 0.00 0.00 0.00 23.12 21.52 2qbg s ALA 14 CO 0.60 -0.74 1.82 0.78 0.00 0.00 0.00 175.76 178.21 2qbg h GLY 15 N 0.20 0.00 -4.43 0.00 0.00 -2.02 -3.43 103.07 93.40 2qbg h GLY 15 Ca -0.46 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.35 2qbg h GLY 15 CO 0.59 0.00 0.92 -0.51 0.00 0.00 0.00 176.54 177.54 2qbg s THR 16 N -3.85 2.12 -1.88 4.70 -4.23 -1.26 -4.88 115.64 106.36 2qbg s THR 16 Ca -0.03 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2qbg s THR 16 Cb 0.08 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.86 2qbg s THR 16 CO 0.25 0.01 0.69 0.61 -0.54 0.00 0.00 174.62 175.64 2qbg n GLY 17 N 2.87 -0.52 3.75 3.99 0.00 -1.26 -4.56 105.19 109.46 2qbg n GLY 17 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2qbg n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qbg s HIS 18 N -1.88 2.39 0.06 1.61 5.65 -1.26 -4.93 115.29 116.92 2qbg s HIS 18 Ca 0.00 1.54 -0.27 0.00 0.25 0.00 0.00 55.06 56.59 2qbg s HIS 18 Cb 0.00 -3.40 0.09 0.00 -1.18 0.00 0.00 32.58 28.09 2qbg s HIS 18 CO 0.00 -2.13 0.76 -0.59 -0.65 0.00 0.00 174.74 172.13 2qbg s PHE 19 N -1.84 -0.45 0.32 3.88 -0.71 -1.26 -2.69 117.98 115.23 2qbg s PHE 19 Ca 0.74 0.33 0.08 0.00 -1.04 0.00 0.00 56.93 57.04 2qbg s PHE 19 Cb -0.27 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.03 2qbg s PHE 19 CO 0.37 -0.67 0.17 0.71 -1.34 0.00 0.00 175.22 174.46 2qbg s TYR 20 N -3.19 2.80 -0.01 3.49 2.02 0.15 -4.94 117.35 117.68 2qbg s TYR 20 Ca 0.02 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 2qbg s TYR 20 Cb -0.01 -1.61 -0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2qbg s TYR 20 CO -0.09 0.35 -0.08 -0.08 -1.57 0.00 0.00 175.55 174.08 2qbg s THR 21 N -2.35 0.61 0.10 -0.71 -1.32 -1.26 -0.50 115.64 110.21 2qbg s THR 21 Ca 0.37 -0.32 -0.06 0.00 -1.21 0.00 0.00 61.69 60.47 2qbg s THR 21 Cb -0.04 -0.52 0.02 0.00 -1.51 0.00 0.00 72.50 70.45 2qbg s THR 21 CO 0.24 0.18 0.32 1.07 -2.21 0.00 0.00 174.62 174.21 2qbg n THR 22 N 2.95 0.00 -4.46 5.08 5.66 -0.80 -4.99 114.28 117.72 2qbg n THR 22 Ca -0.14 -0.27 -0.24 0.00 -3.05 0.00 0.00 64.05 60.35 2qbg n THR 22 Cb 0.57 0.31 -0.10 0.00 -1.55 0.00 0.00 70.33 69.56 2qbg n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qbg s THR 23 N -2.54 2.56 0.08 1.09 -4.23 -1.26 0.22 115.64 111.57 2qbg s THR 23 Ca 0.07 -2.35 -0.12 0.00 -1.18 0.00 0.00 61.69 58.10 2qbg s THR 23 Cb -0.01 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.47 2qbg s THR 23 CO 0.03 -0.39 0.29 -0.75 -0.54 0.00 0.00 174.62 173.26 2qbg s LYS 24 N -3.53 0.90 -0.93 3.99 2.20 0.06 -4.83 119.74 117.60 2qbg s LYS 24 Ca 0.30 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2qbg s LYS 24 Cb -0.05 0.38 0.27 0.00 -1.51 0.00 0.00 37.83 36.93 2qbg s LYS 24 CO 0.16 -0.31 1.12 -1.71 -0.36 0.00 0.00 175.35 174.25 2qbg n ASN 25 N 0.10 5.21 0.28 1.43 5.15 -1.26 -1.82 115.26 124.35 2qbg n ASN 25 Ca -0.16 -3.33 0.10 0.00 -0.60 0.00 0.00 54.58 50.58 2qbg n ASN 25 Cb 0.62 -1.08 0.55 0.00 -0.53 0.00 0.00 39.78 39.34 2qbg n ASN 25 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2qbg h LYS 26 N 5.32 0.00 0.00 1.20 1.63 -1.79 0.22 116.57 123.15 2qbg h LYS 26 Ca 0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2qbg h LYS 26 Cb 0.69 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 2qbg h LYS 26 CO 1.08 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 177.62 2qbg n ARG 27 N -2.55 0.14 0.00 1.90 5.12 -1.26 -3.60 116.66 116.41 2qbg n ARG 27 Ca -0.01 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 2qbg n ARG 27 Cb 0.45 -1.83 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 2qbg n ARG 27 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2qbg n THR 28 N -2.10 0.00 -3.28 0.55 -2.24 -0.03 -4.95 114.28 102.23 2qbg n THR 28 Ca 0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2qbg n THR 28 Cb 0.13 0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.81 2qbg n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qbg n LYS 29 N 0.00 2.51 0.31 -0.78 4.76 -0.64 -4.90 118.16 119.42 2qbg n LYS 29 Ca 0.00 -4.57 0.19 0.00 -2.87 0.00 0.00 58.31 51.06 2qbg n LYS 29 Cb 0.00 -2.15 1.03 0.00 -1.84 0.00 0.00 35.03 32.07 2qbg n LYS 29 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2qbg h PRO 30 N 3.84 0.00 -6.29 1.97 0.11 -1.82 -3.41 132.00 126.40 2qbg h PRO 30 Ca 0.17 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.74 2qbg h PRO 30 Cb 0.65 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.77 2qbg h PRO 30 CO 0.79 0.01 1.21 -1.83 -0.21 0.00 0.00 178.00 177.98 2qbg s GLU 31 N -4.29 4.03 -0.05 1.05 1.03 -1.26 -4.89 118.70 114.32 2qbg s GLU 31 Ca -0.04 2.36 -0.32 0.00 0.03 0.00 0.00 54.97 57.00 2qbg s GLU 31 Cb 0.13 -4.12 -0.10 0.00 -0.80 0.00 0.00 34.13 29.24 2qbg s GLU 31 CO 0.49 -1.06 1.96 1.63 -1.33 0.00 0.00 175.26 176.94 2qbg n LYS 32 N 7.55 2.45 -2.57 -4.83 4.76 -1.25 -4.84 118.16 119.44 2qbg n LYS 32 Ca 0.20 0.88 -0.40 0.00 -2.87 0.00 0.00 58.31 56.12 2qbg n LYS 32 Cb 0.42 -2.85 -0.05 0.00 -1.84 0.00 0.00 35.03 30.72 2qbg n LYS 32 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2qbg s LEU 33 N 4.64 4.58 -0.01 -0.35 2.96 -0.14 -4.85 118.68 125.50 2qbg s LEU 33 Ca 0.92 2.16 -0.12 0.00 -0.22 0.00 0.00 54.13 56.87 2qbg s LEU 33 Cb -0.56 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.53 2qbg s LEU 33 CO 0.46 -0.05 0.25 -1.61 -1.32 0.00 0.00 176.35 174.08 2qbg s GLU 34 N -1.31 0.58 0.00 1.98 2.02 -1.26 -3.93 118.70 116.79 2qbg s GLU 34 Ca 0.44 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.19 2qbg s GLU 34 Cb -0.30 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.18 2qbg s GLU 34 CO 0.38 -0.15 0.00 1.47 0.02 0.00 0.00 175.26 176.98 2qbg n LEU 35 N 1.43 0.00 -1.12 1.80 -0.00 -1.19 -5.04 117.00 112.88 2qbg n LEU 35 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 2qbg n LEU 35 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2qbg n LEU 35 CO 0.21 0.10 -0.25 0.29 -0.00 0.00 0.00 177.39 177.74 2qbg n LYS 36 N 0.00 -2.81 -0.83 1.47 5.02 -1.26 -4.90 118.16 114.84 2qbg n LYS 36 Ca 0.00 2.12 0.00 0.00 -2.02 0.00 0.00 58.31 58.41 2qbg n LYS 36 Cb 0.10 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 2qbg n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qbg n LYS 37 N 0.45 0.00 -3.61 1.97 5.02 -0.33 -4.83 118.16 116.83 2qbg n LYS 37 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2qbg n LYS 37 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2qbg n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qbg s PHE 38 N -2.25 3.47 -0.62 2.13 5.36 -1.26 -0.76 117.98 124.04 2qbg s PHE 38 Ca 0.00 0.54 -0.10 0.00 -0.96 0.00 0.00 56.93 56.42 2qbg s PHE 38 Cb 0.00 -2.27 0.16 0.00 -0.34 0.00 0.00 43.02 40.57 2qbg s PHE 38 CO 0.00 0.30 0.51 0.34 -1.46 0.00 0.00 175.22 174.91 2qbg s ASP 39 N 0.27 5.95 0.27 6.13 -1.08 -1.14 -4.95 116.67 122.12 2qbg s ASP 39 Ca 0.15 -2.37 -0.03 0.00 -0.52 0.00 0.00 52.55 49.78 2qbg s ASP 39 Cb -0.13 -2.05 0.56 0.00 -1.46 0.00 0.00 42.92 39.84 2qbg s ASP 39 CO 0.03 -0.59 1.62 -0.65 0.52 0.00 0.00 175.17 176.10 2qbg h PRO 40 N 7.95 0.10 -0.15 4.34 0.11 -1.93 0.46 132.00 142.87 2qbg h PRO 40 Ca -0.08 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.06 2qbg h PRO 40 Cb 1.04 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 2qbg h PRO 40 CO 0.81 0.07 -0.50 0.28 -0.21 0.00 0.00 178.00 178.45 2qbg h VAL 41 N 0.10 0.00 -0.00 3.15 2.07 -1.95 0.19 116.25 119.80 2qbg h VAL 41 Ca 0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.00 2qbg h VAL 41 Cb 0.91 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2qbg h VAL 41 CO -0.73 0.00 -0.04 0.52 0.02 0.00 0.00 177.57 177.34 2qbg n VAL 42 N -5.16 0.00 -2.57 2.57 0.31 -0.90 -4.90 118.33 107.67 2qbg n VAL 42 Ca -0.05 -0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.08 2qbg n VAL 42 Cb 0.34 -0.26 -0.00 0.00 -0.91 0.00 0.00 33.84 33.01 2qbg n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbg n ARG 43 N -0.97 -2.45 -3.79 5.55 1.74 0.16 -4.94 116.66 111.96 2qbg n ARG 43 Ca 0.17 0.67 -0.13 0.00 -0.77 0.00 0.00 57.85 57.79 2qbg n ARG 43 Cb 0.23 -5.31 -0.13 0.00 -1.02 0.00 0.00 32.46 26.24 2qbg n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qbg s GLN 44 N -5.18 0.20 0.75 5.56 -0.44 -1.09 -4.96 119.66 114.50 2qbg s GLN 44 Ca 0.06 0.32 -0.15 0.00 -2.50 0.00 0.00 55.36 53.09 2qbg s GLN 44 Cb -0.03 0.03 0.02 0.00 -1.64 0.00 0.00 33.01 31.39 2qbg s GLN 44 CO 0.08 -0.07 0.93 0.72 0.50 0.00 0.00 175.29 177.45 2qbg n HIS 45 N 3.34 0.49 -3.15 1.67 8.25 -1.26 -2.91 115.22 121.65 2qbg n HIS 45 Ca -0.16 0.38 -0.01 0.00 -0.26 0.00 0.00 57.72 57.67 2qbg n HIS 45 Cb 0.57 -2.05 0.00 0.00 1.12 0.00 0.00 29.99 29.63 2qbg n HIS 45 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2qbg n VAL 46 N -2.70 0.00 -3.45 1.59 3.14 0.06 -4.84 118.33 112.13 2qbg n VAL 46 Ca 0.12 -0.09 -0.43 0.00 -2.96 0.00 0.00 64.34 60.98 2qbg n VAL 46 Cb 0.50 0.10 -0.09 0.00 -1.06 0.00 0.00 33.84 33.29 2qbg n VAL 46 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qbg s ILE 47 N -2.84 5.09 0.16 1.55 1.09 -1.26 -1.19 121.20 123.80 2qbg s ILE 47 Ca 0.02 -0.94 -0.22 0.00 -1.10 0.00 0.00 60.65 58.41 2qbg s ILE 47 Cb -0.00 -3.96 -0.08 0.00 -1.06 0.00 0.00 42.46 37.36 2qbg s ILE 47 CO 0.01 -0.45 0.70 -0.31 -0.10 0.00 0.00 174.94 174.79 2qbg s TYR 48 N 1.63 3.79 0.00 3.97 2.02 -1.26 -2.38 117.35 125.11 2qbg s TYR 48 Ca 0.04 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.18 2qbg s TYR 48 Cb -0.22 -2.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 2qbg s TYR 48 CO 0.07 0.48 0.00 1.17 -1.57 0.00 0.00 175.55 175.70 2qbg n LYS 49 N 1.32 2.98 -2.47 -0.62 3.00 0.19 -3.17 118.16 119.40 2qbg n LYS 49 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.24 2qbg n LYS 49 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.52 2qbg n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2qbg n GLU 50 N 0.00 -3.22 -2.86 1.64 4.07 -1.25 -1.87 120.64 117.15 2qbg n GLU 50 Ca 0.00 2.41 0.02 0.00 -0.06 0.00 0.00 57.16 59.53 2qbg n GLU 50 Cb 0.00 -3.19 0.00 0.00 -0.06 0.00 0.00 31.44 28.19 2qbg n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbg s ALA 51 N -0.38 -4.15 0.00 4.31 0.00 -1.25 -3.56 121.76 116.73 2qbg s ALA 51 Ca -0.08 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2qbg s ALA 51 Cb 0.01 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2qbg s ALA 51 CO 0.21 -2.43 0.00 1.63 0.00 0.00 0.00 175.76 175.18