#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c09 s LYS 2 N 0.00 3.50 0.43 0.03 -0.14 -1.26 -4.89 119.74 117.41 1c09 s LYS 2 Ca 0.00 -0.39 -0.21 0.00 -1.36 0.00 0.00 55.97 54.01 1c09 s LYS 2 Cb 0.00 -2.89 -0.10 0.00 -1.68 0.00 0.00 37.83 33.16 1c09 s LYS 2 CO 0.00 0.46 0.98 0.15 -0.76 0.00 0.00 175.35 176.18 1c09 s LYS 3 N -3.14 4.14 0.05 1.68 1.02 -1.26 -4.62 119.74 117.60 1c09 s LYS 3 Ca 0.37 1.24 0.07 0.00 0.02 0.00 0.00 55.97 57.67 1c09 s LYS 3 Cb -0.11 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1c09 s LYS 3 CO 0.28 -0.12 -0.20 0.71 -0.92 0.00 0.00 175.35 175.10 1c09 s TYR 4 N -2.03 1.74 -0.00 3.18 1.51 -0.75 -0.90 117.35 120.09 1c09 s TYR 4 Ca 0.62 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 56.39 1c09 s TYR 4 Cb -0.13 -1.03 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 1c09 s TYR 4 CO 0.17 0.09 -0.25 -0.08 -1.11 0.00 0.00 175.55 174.37 1c09 s THR 5 N -0.83 1.97 -0.26 -0.71 -1.32 0.62 0.19 115.64 115.30 1c09 s THR 5 Ca 0.07 -1.13 -0.29 0.00 -1.21 0.00 0.00 61.69 59.12 1c09 s THR 5 Cb -0.09 -1.65 -0.01 0.00 -1.51 0.00 0.00 72.50 69.24 1c09 s THR 5 CO 0.02 0.50 1.35 0.00 -2.21 0.00 0.00 174.62 174.28 1c09 n THR 7 N 6.11 0.28 0.04 0.00 -2.24 -0.67 -0.43 114.28 117.37 1c09 n THR 7 Ca 0.15 0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.81 1c09 n THR 7 Cb 0.46 -0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 67.89 1c09 n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1c09 h VAL 8 N 0.00 0.90 0.00 2.28 2.07 -1.91 -3.43 116.25 116.17 1c09 h VAL 8 Ca 0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.95 1c09 h VAL 8 Cb 0.31 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1c09 h VAL 8 CO 0.00 0.82 -0.28 0.00 0.02 0.00 0.00 177.57 178.13 1c09 n GLY 10 N 1.13 0.35 3.65 0.00 0.00 0.43 -5.04 105.19 105.72 1c09 n GLY 10 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1c09 n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c09 n TYR 11 N -2.00 1.90 -3.88 1.61 9.36 -1.26 -4.64 117.16 118.25 1c09 n TYR 11 Ca 0.00 0.59 -0.35 0.00 3.32 0.00 0.00 57.90 61.45 1c09 n TYR 11 Cb 0.00 -2.36 -0.14 0.00 -0.63 0.00 0.00 39.34 36.21 1c09 n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1c09 s ILE 12 N -0.86 3.47 -0.22 2.97 1.01 -1.26 -0.07 121.20 126.25 1c09 s ILE 12 Ca 0.59 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 60.39 1c09 s ILE 12 Cb -0.64 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1c09 s ILE 12 CO 0.59 0.33 0.98 -0.47 0.00 0.00 0.00 174.94 176.37 1c09 s TYR 13 N 1.47 3.36 -0.25 3.97 5.04 0.13 -4.96 117.35 126.10 1c09 s TYR 13 Ca 0.05 1.40 -0.03 0.00 -2.44 0.00 0.00 57.07 56.04 1c09 s TYR 13 Cb -0.15 -3.20 0.02 0.00 0.35 0.00 0.00 41.96 38.98 1c09 s TYR 13 CO -0.02 -0.42 -0.03 1.21 -1.34 0.00 0.00 175.55 174.95 1c09 s ASN 14 N 1.22 4.49 0.57 4.32 3.84 -1.26 -1.81 114.94 126.29 1c09 s ASN 14 Ca 0.42 -0.76 0.26 0.00 0.21 0.00 0.00 52.86 52.99 1c09 s ASN 14 Cb -0.15 -1.72 1.61 0.00 -0.55 0.00 0.00 41.25 40.43 1c09 s ASN 14 CO 0.08 -0.13 2.16 -0.65 -2.79 0.00 0.00 177.10 175.77 1c09 h PRO 15 N 8.08 0.00 0.00 0.43 0.11 -1.82 -0.01 132.00 138.79 1c09 h PRO 15 Ca -0.34 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.69 1c09 h PRO 15 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1c09 h PRO 15 CO 0.59 0.00 -0.39 0.93 -0.21 0.00 0.00 178.00 178.92 1c09 h GLU 16 N 0.00 0.00 0.00 1.05 4.39 -1.94 0.86 114.58 118.94 1c09 h GLU 16 Ca 0.05 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.43 1c09 h GLU 16 Cb 0.24 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 1c09 h GLU 16 CO -0.00 0.39 -2.20 -0.25 -1.16 0.00 0.00 179.01 175.79 1c09 n ASP 17 N -3.52 0.18 0.00 1.42 10.43 -0.44 -4.39 116.55 120.24 1c09 n ASP 17 Ca -0.00 0.09 0.00 0.00 2.57 0.00 0.00 54.79 57.45 1c09 n ASP 17 Cb 0.52 0.87 0.00 0.00 1.84 0.00 0.00 41.12 44.35 1c09 n ASP 17 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1c09 n GLY 18 N 1.66 0.53 2.30 0.44 0.00 -0.15 -3.98 105.19 106.00 1c09 n GLY 18 Ca -0.27 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 1c09 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c09 n ASP 19 N -2.21 -0.36 0.09 1.61 2.03 0.11 -4.67 116.55 113.13 1c09 n ASP 19 Ca 0.00 -2.71 0.05 0.00 0.52 0.00 0.00 54.79 52.65 1c09 n ASP 19 Cb 0.00 -0.30 0.47 0.00 -0.72 0.00 0.00 41.12 40.57 1c09 n ASP 19 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1c09 h PRO 20 N 4.29 0.35 0.00 -0.67 0.11 -1.66 -1.52 132.00 132.91 1c09 h PRO 20 Ca 0.08 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1c09 h PRO 20 Cb 0.91 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1c09 h PRO 20 CO 0.42 0.27 -0.07 -0.44 -0.21 0.00 0.00 178.00 177.97 1c09 h ASP 21 N 0.36 0.00 -0.43 -2.05 3.45 -1.96 -1.60 116.42 114.19 1c09 h ASP 21 Ca 0.09 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.39 1c09 h ASP 21 Cb 0.03 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 38.71 1c09 h ASP 21 CO -0.01 0.07 0.06 0.59 -1.57 0.00 0.00 179.24 178.38 1c09 n ASN 22 N -3.81 3.33 -0.22 6.45 4.13 -0.65 -4.97 115.26 119.52 1c09 n ASN 22 Ca -0.02 -3.45 -0.03 0.00 1.68 0.00 0.00 54.58 52.76 1c09 n ASN 22 Cb 0.17 -0.64 -0.01 0.00 -1.54 0.00 0.00 39.78 37.76 1c09 n ASN 22 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1c09 n GLY 23 N -0.82 0.60 3.30 7.41 0.00 -0.60 -5.00 105.19 110.08 1c09 n GLY 23 Ca 0.33 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1c09 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c09 s VAL 24 N -2.01 4.72 0.56 1.61 1.01 -0.73 -4.96 120.40 120.61 1c09 s VAL 24 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 1c09 s VAL 24 Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1c09 s VAL 24 CO 0.00 -0.67 1.11 0.20 0.00 0.00 0.00 175.10 175.74 1c09 s ASN 25 N 2.71 5.67 0.17 3.32 -0.87 -1.26 0.04 114.94 124.71 1c09 s ASN 25 Ca 0.04 2.10 -0.31 0.00 -1.57 0.00 0.00 52.86 53.11 1c09 s ASN 25 Cb -0.26 -2.57 -0.17 0.00 -0.02 0.00 0.00 41.25 38.24 1c09 s ASN 25 CO 0.03 -1.25 0.89 -2.65 -2.57 0.00 0.00 177.10 171.55 1c09 n PRO 26 N -1.52 0.59 -0.33 -0.60 -0.02 -1.26 -2.54 135.00 129.32 1c09 n PRO 26 Ca 0.11 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1c09 n PRO 26 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1c09 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c09 n GLY 27 N 1.79 0.70 3.64 -1.23 0.00 0.30 -4.92 105.19 105.46 1c09 n GLY 27 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1c09 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c09 s THR 28 N -2.51 4.93 0.44 2.61 2.01 -1.05 -5.01 115.64 117.06 1c09 s THR 28 Ca 0.00 1.31 -0.24 0.00 0.31 0.00 0.00 61.69 63.07 1c09 s THR 28 Cb 0.00 -4.00 -0.08 0.00 0.01 0.00 0.00 72.50 68.43 1c09 s THR 28 CO 0.00 -0.00 1.22 -0.62 -0.69 0.00 0.00 174.62 174.53 1c09 s ASP 29 N 1.39 6.18 0.25 3.53 3.68 -1.26 -4.58 116.67 125.86 1c09 s ASP 29 Ca 0.30 2.44 -0.03 0.00 2.13 0.00 0.00 52.55 57.38 1c09 s ASP 29 Cb -0.15 -2.62 0.45 0.00 -1.45 0.00 0.00 42.92 39.14 1c09 s ASP 29 CO 0.08 -0.92 1.77 0.15 0.13 0.00 0.00 175.17 176.39 1c09 h PHE 30 N 2.26 0.73 0.00 -5.34 3.57 -1.96 -0.94 116.94 115.26 1c09 h PHE 30 Ca -0.49 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1c09 h PHE 30 Cb 1.25 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1c09 h PHE 30 CO 0.53 0.22 -0.03 1.57 -2.23 0.00 0.00 178.31 178.37 1c09 h LYS 31 N 0.64 0.00 -0.01 1.11 2.10 -1.99 -2.39 116.57 116.04 1c09 h LYS 31 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1c09 h LYS 31 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1c09 h LYS 31 CO -0.32 0.03 -0.28 -0.25 -2.00 0.00 0.00 179.45 176.63 1c09 n ASP 32 N -4.21 0.86 -4.73 7.07 8.00 -0.37 -4.86 116.55 118.30 1c09 n ASP 32 Ca -0.03 -0.72 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 1c09 n ASP 32 Cb 0.11 0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 1c09 n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1c09 s ILE 33 N -2.60 2.29 -0.07 0.53 1.01 -0.90 -4.90 121.20 116.56 1c09 s ILE 33 Ca 0.22 0.23 -0.40 0.00 0.00 0.00 0.00 60.65 60.70 1c09 s ILE 33 Cb 0.19 -3.14 -0.19 0.00 0.01 0.00 0.00 42.46 39.33 1c09 s ILE 33 CO 0.55 0.03 1.30 -2.65 0.00 0.00 0.00 174.94 174.16 1c09 n PRO 34 N 3.17 0.47 0.00 2.79 -0.02 -1.26 -4.83 135.00 135.33 1c09 n PRO 34 Ca 0.12 0.17 0.06 0.00 -2.02 0.00 0.00 63.50 61.82 1c09 n PRO 34 Cb 0.37 -1.73 0.33 0.00 -0.02 0.00 0.00 33.50 32.45 1c09 n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1c09 n ASP 35 N 2.56 0.00 -0.41 2.55 8.00 -1.26 -1.25 116.55 126.74 1c09 n ASP 35 Ca 0.22 -0.42 0.12 0.00 0.71 0.00 0.00 54.79 55.41 1c09 n ASP 35 Cb 0.10 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.30 1c09 n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1c09 n ASP 36 N -0.95 1.72 -4.77 -2.24 5.75 -1.26 -4.80 116.55 110.00 1c09 n ASP 36 Ca 0.08 -1.33 -0.40 0.00 -0.01 0.00 0.00 54.79 53.13 1c09 n ASP 36 Cb 0.04 0.39 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 1c09 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1c09 s TRP 37 N -2.50 2.89 0.32 2.11 -0.00 -0.38 -5.03 118.94 116.35 1c09 s TRP 37 Ca 0.20 1.37 0.09 0.00 -0.00 0.00 0.00 56.10 57.76 1c09 s TRP 37 Cb 0.18 -3.74 -0.06 0.00 -0.00 0.00 0.00 33.47 29.85 1c09 s TRP 37 CO 0.56 -2.14 -0.10 0.14 -0.00 0.00 0.00 176.95 175.42 1c09 s VAL 38 N -1.17 2.08 -0.04 5.86 -7.23 -1.26 -4.04 120.40 114.59 1c09 s VAL 38 Ca 0.52 -2.21 -0.35 0.00 -1.81 0.00 0.00 61.98 58.14 1c09 s VAL 38 Cb -0.40 -2.54 -0.13 0.00 0.56 0.00 0.00 36.38 33.87 1c09 s VAL 38 CO 0.54 -0.26 1.77 0.00 -0.31 0.00 0.00 175.10 176.83 1c09 h PRO 40 N 8.00 0.00 0.05 0.00 0.11 -1.97 0.13 132.00 138.32 1c09 h PRO 40 Ca -0.47 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.28 1c09 h PRO 40 Cb 1.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 1c09 h PRO 40 CO 0.93 0.00 -2.13 1.28 -0.21 0.00 0.00 178.00 177.86 1c09 n LEU 41 N -4.40 2.05 0.00 2.35 4.77 -1.26 -4.70 117.00 115.81 1c09 n LEU 41 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1c09 n LEU 41 Cb 0.19 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1c09 n LEU 41 CO 0.33 0.74 0.19 0.00 -1.33 0.00 0.00 177.39 177.33 1c09 n GLY 43 N 0.04 0.87 3.77 0.00 0.00 0.03 -4.98 105.19 104.92 1c09 n GLY 43 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1c09 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c09 s ALA 44 N -3.48 3.25 0.95 4.61 0.00 -1.26 -4.53 121.76 121.30 1c09 s ALA 44 Ca 0.00 1.19 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 1c09 s ALA 44 Cb 0.00 -3.47 0.16 0.00 0.00 0.00 0.00 23.12 19.81 1c09 s ALA 44 CO 0.00 -0.77 1.11 0.20 0.00 0.00 0.00 175.76 176.30 1c09 s GLY 45 N -0.79 1.58 0.60 0.00 0.00 -1.26 -0.17 107.32 107.28 1c09 s GLY 45 Ca 0.56 -0.38 0.31 0.00 0.00 0.00 0.00 44.72 45.21 1c09 s GLY 45 CO 0.47 0.19 2.20 0.50 0.00 0.00 0.00 173.10 176.46 1c09 h LYS 46 N -1.70 0.00 0.00 2.90 1.57 -1.87 -1.59 116.57 115.88 1c09 h LYS 46 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1c09 h LYS 46 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1c09 h LYS 46 CO 0.59 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.07 1c09 n ASP 47 N -3.73 0.50 -0.94 0.86 5.75 -1.26 -1.73 116.55 116.00 1c09 n ASP 47 Ca -0.01 0.66 0.11 0.00 -0.01 0.00 0.00 54.79 55.54 1c09 n ASP 47 Cb 0.18 -0.75 0.27 0.00 -1.03 0.00 0.00 41.12 39.79 1c09 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c09 n GLN 48 N -2.09 2.23 -3.24 0.11 1.13 -0.60 -4.96 117.38 109.95 1c09 n GLN 48 Ca 0.01 -1.85 -0.23 0.00 -1.94 0.00 0.00 57.00 52.99 1c09 n GLN 48 Cb 0.15 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.03 1c09 n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1c09 s PHE 49 N -1.61 3.38 -0.08 1.08 0.40 -0.71 -1.67 117.98 118.78 1c09 s PHE 49 Ca 0.36 0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 56.85 1c09 s PHE 49 Cb 0.21 -2.05 0.03 0.00 0.51 0.00 0.00 43.02 41.72 1c09 s PHE 49 CO 0.29 -0.05 0.29 -2.00 0.70 0.00 0.00 175.22 174.46 1c09 s GLU 50 N -4.39 0.46 0.28 0.44 2.12 -0.46 -4.92 118.70 112.23 1c09 s GLU 50 Ca 0.43 0.18 -0.30 0.00 0.36 0.00 0.00 54.97 55.64 1c09 s GLU 50 Cb -0.10 0.21 -0.10 0.00 0.26 0.00 0.00 34.13 34.40 1c09 s GLU 50 CO 0.36 -0.09 1.46 -2.00 -0.54 0.00 0.00 175.26 174.45 1c09 s GLU 51 N -0.41 4.23 0.21 4.30 2.12 -1.26 -0.28 118.70 127.62 1c09 s GLU 51 Ca -0.05 2.38 -0.30 0.00 0.36 0.00 0.00 54.97 57.36 1c09 s GLU 51 Cb -0.03 -3.07 -0.08 0.00 0.26 0.00 0.00 34.13 31.20 1c09 s GLU 51 CO 0.02 -0.45 1.10 0.08 -0.54 0.00 0.00 175.26 175.47 1c09 s VAL 52 N -0.27 3.73 0.00 3.70 1.01 -0.08 -4.81 120.40 123.68 1c09 s VAL 52 Ca 0.58 1.57 0.00 0.00 0.00 0.00 0.00 61.98 64.14 1c09 s VAL 52 Cb -0.43 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1c09 s VAL 52 CO 0.48 0.31 0.00 -0.62 0.00 0.00 0.00 175.10 175.26