#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brz n LYS 3 N 0.00 -1.85 -3.84 0.11 5.02 -1.26 -4.87 118.16 111.47 1brz n LYS 3 Ca 0.00 1.44 -0.24 0.00 -2.02 0.00 0.00 58.31 57.49 1brz n LYS 3 Cb 0.00 -1.82 0.01 0.00 -0.02 0.00 0.00 35.03 33.20 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1brz s LYS 5 N -6.31 0.70 -0.24 0.00 0.00 -1.26 -1.22 119.74 111.42 1brz s LYS 5 Ca 0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 55.97 55.31 1brz s LYS 5 Cb -0.05 0.29 0.13 0.00 0.00 0.00 0.00 37.83 38.20 1brz s LYS 5 CO 0.85 -0.20 0.37 0.15 0.00 0.00 0.00 175.35 176.52 1brz s LYS 6 N -2.87 0.34 0.45 1.78 1.02 0.53 -4.95 119.74 116.05 1brz s LYS 6 Ca -0.03 0.53 -0.24 0.00 0.02 0.00 0.00 55.97 56.25 1brz s LYS 6 Cb 0.00 -0.50 -0.07 0.00 -0.52 0.00 0.00 37.83 36.74 1brz s LYS 6 CO -0.06 -0.63 1.26 0.14 -0.92 0.00 0.00 175.35 175.14 1brz s VAL 7 N 2.54 2.72 0.00 3.17 -7.23 -1.26 -1.31 120.40 119.02 1brz s VAL 7 Ca 0.12 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.87 1brz s VAL 7 Cb -0.15 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.47 1brz s VAL 7 CO -0.16 0.03 0.61 0.00 -0.31 0.00 0.00 175.10 175.28 1brz n TYR 8 N -0.33 0.00 0.00 2.82 4.19 -0.03 -4.90 117.16 118.91 1brz n TYR 8 Ca 0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.27 1brz n TYR 8 Cb 0.46 -0.22 0.00 0.00 0.49 0.00 0.00 39.34 40.06 1brz n TYR 8 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1brz n GLU 9 N -1.17 0.00 0.00 2.98 -0.00 -1.26 -4.90 120.64 116.29 1brz n GLU 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1brz n GLU 9 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1brz n GLU 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1brz n ASN 10 N 0.00 0.00 -4.55 -1.84 2.85 -1.26 -5.06 115.26 105.40 1brz n ASN 10 Ca 0.00 0.00 -0.50 0.00 -0.11 0.00 0.00 54.58 53.97 1brz n ASN 10 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1brz n TYR 11 N -1.21 1.88 -1.41 1.20 9.36 -1.26 -4.77 117.16 120.95 1brz n TYR 11 Ca 0.00 0.18 -0.59 0.00 3.32 0.00 0.00 57.90 60.80 1brz n TYR 11 Cb 0.00 -2.58 -0.10 0.00 -0.63 0.00 0.00 39.34 36.02 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1brz n PRO 12 N 7.62 0.30 0.00 2.98 -0.02 -1.26 -4.86 135.00 139.76 1brz n PRO 12 Ca 0.34 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1brz n PRO 12 Cb 0.27 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1brz n VAL 13 N 6.06 0.00 0.00 -1.45 0.31 -1.26 -4.39 118.33 117.60 1brz n VAL 13 Ca 0.46 1.49 0.00 0.00 -0.01 0.00 0.00 64.34 66.28 1brz n VAL 13 Cb 0.02 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 30.65 1brz n VAL 13 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1brz n SER 14 N -2.33 0.00 -4.59 4.52 3.41 -1.26 -3.57 113.62 109.80 1brz n SER 14 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1brz n SER 14 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1brz n SER 14 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1brz s LYS 15 N 0.00 3.33 -0.35 4.33 2.47 -1.26 -4.75 119.74 123.51 1brz s LYS 15 Ca 0.00 1.23 0.04 0.00 -1.56 0.00 0.00 55.97 55.69 1brz s LYS 15 Cb 0.00 -4.17 0.27 0.00 -1.46 0.00 0.00 37.83 32.46 1brz s LYS 15 CO 0.00 -1.87 1.28 0.00 0.16 0.00 0.00 175.35 174.92 1brz n GLN 17 N 0.16 0.00 -3.57 0.00 6.02 -1.26 -4.86 117.38 113.88 1brz n GLN 17 Ca -0.09 -1.17 -0.01 0.00 -0.01 0.00 0.00 57.00 55.72 1brz n GLN 17 Cb 0.73 -0.34 -0.06 0.00 1.02 0.00 0.00 30.24 31.60 1brz n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1brz s LEU 18 N 0.00 -0.63 -0.57 1.08 1.43 -1.26 -5.10 118.68 113.63 1brz s LEU 18 Ca 0.08 0.94 -0.27 0.00 -1.03 0.00 0.00 54.13 53.85 1brz s LEU 18 Cb 0.09 1.83 -0.09 0.00 0.03 0.00 0.00 46.19 48.04 1brz s LEU 18 CO -0.04 -0.14 2.46 0.00 0.23 0.00 0.00 176.35 178.86 1brz n ALA 19 N 4.33 0.71 0.01 4.21 0.00 -1.26 -3.92 120.51 124.58 1brz n ALA 19 Ca -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1brz n ALA 19 Cb 0.55 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.91 1brz n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1brz n ASN 20 N 15.29 -0.09 0.00 0.00 4.05 -1.26 -4.92 115.26 128.32 1brz n ASN 20 Ca 0.41 0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.50 1brz n ASN 20 Cb 0.48 0.22 0.00 0.00 1.23 0.00 0.00 39.78 41.71 1brz n ASN 20 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1brz n GLN 21 N -1.85 0.00 -0.36 1.20 -0.06 -1.25 0.25 117.38 115.31 1brz n GLN 21 Ca 0.00 0.57 -0.00 0.00 -2.00 0.00 0.00 57.00 55.57 1brz n GLN 21 Cb 0.00 -1.27 0.14 0.00 -4.06 0.00 0.00 30.24 25.04 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1brz h ASN 23 N 1.20 -0.16 -0.70 0.00 -1.24 -1.63 0.21 115.58 113.27 1brz h ASN 23 Ca 0.39 0.01 0.13 0.00 0.71 0.00 0.00 56.30 57.54 1brz h ASN 23 Cb 0.02 0.05 -0.09 0.00 0.73 0.00 0.00 38.32 39.03 1brz h ASN 23 CO -0.13 -0.07 0.22 0.22 -1.29 0.00 0.00 177.43 176.39 1brz h TYR 24 N -0.10 0.37 0.04 0.67 3.20 -0.18 0.17 116.97 121.14 1brz h TYR 24 Ca -0.00 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1brz h TYR 24 Cb 0.09 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1brz h TYR 24 CO -0.17 0.01 -0.30 -0.44 -1.64 0.00 0.00 178.16 175.63 1brz h ASP 25 N 0.36 -0.90 -0.72 -2.11 5.19 -1.03 0.47 116.42 117.67 1brz h ASP 25 Ca 0.38 0.10 0.15 0.00 -0.62 0.00 0.00 57.03 57.03 1brz h ASP 25 Cb 0.58 0.34 -0.05 0.00 0.18 0.00 0.00 39.33 40.38 1brz h ASP 25 CO -0.41 -0.30 0.48 0.00 -3.12 0.00 0.00 179.24 175.89 1brz n LYS 27 N -4.46 0.09 0.00 0.00 4.81 0.55 -1.03 118.16 118.12 1brz n LYS 27 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1brz n LYS 27 Cb 0.54 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.25 1brz n LYS 27 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1brz n LEU 28 N -0.83 0.00 0.16 3.14 7.94 0.79 -4.71 117.00 123.49 1brz n LEU 28 Ca 0.02 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.93 1brz n LEU 28 Cb 0.01 0.00 0.27 0.00 0.53 0.00 0.00 43.42 44.23 1brz n LEU 28 CO 0.01 0.00 0.62 0.44 -1.11 0.00 0.00 177.39 177.35 1brz h ASP 29 N 0.00 0.00 -0.44 1.96 5.19 0.61 -3.32 116.42 120.42 1brz h ASP 29 Ca 0.00 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 1brz h ASP 29 Cb 0.00 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 39.13 1brz h ASP 29 CO 0.00 0.48 -1.06 0.29 -3.12 0.00 0.00 179.24 175.84 1brz n LYS 30 N -3.92 1.65 -3.42 3.56 5.02 -1.20 -4.99 118.16 114.86 1brz n LYS 30 Ca -0.01 -3.30 -0.22 0.00 -2.02 0.00 0.00 58.31 52.75 1brz n LYS 30 Cb 0.51 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1brz n HIS 31 N -0.63 -0.71 -2.44 2.13 8.25 -1.23 -4.87 115.22 115.72 1brz n HIS 31 Ca 0.05 0.38 -0.25 0.00 -0.26 0.00 0.00 57.72 57.64 1brz n HIS 31 Cb 0.81 -1.35 0.14 0.00 1.12 0.00 0.00 29.99 30.70 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1brz s ALA 32 N -3.03 3.34 -0.11 -1.41 0.00 -0.19 -4.98 121.76 115.37 1brz s ALA 32 Ca 0.26 -1.70 0.22 0.00 0.00 0.00 0.00 51.96 50.74 1brz s ALA 32 Cb -0.15 -2.15 -0.21 0.00 0.00 0.00 0.00 23.12 20.61 1brz s ALA 32 CO 0.60 -1.81 0.69 -2.13 0.00 0.00 0.00 175.76 173.10 1brz n ARG 33 N -3.13 0.64 -3.11 0.00 0.63 0.93 -4.50 116.66 108.12 1brz n ARG 33 Ca 0.16 -0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1brz n ARG 33 Cb 0.60 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.87 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1brz n SER 34 N -2.44 0.00 -3.75 6.15 3.41 0.14 -4.92 113.62 112.22 1brz n SER 34 Ca -0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.51 1brz n SER 34 Cb 0.58 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1brz n SER 34 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1brz s GLY 35 N 0.00 -0.22 -0.24 5.00 0.00 -1.26 0.10 107.32 110.69 1brz s GLY 35 Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 44.72 44.34 1brz s GLY 35 CO 0.00 -0.01 1.29 -0.54 0.00 0.00 0.00 173.10 173.84 1brz s GLU 36 N -3.73 0.17 -0.52 2.90 0.41 0.08 -4.03 118.70 113.97 1brz s GLU 36 Ca 0.09 -0.04 -0.22 0.00 -0.41 0.00 0.00 54.97 54.40 1brz s GLU 36 Cb -0.04 0.08 0.05 0.00 -1.78 0.00 0.00 34.13 32.43 1brz s GLU 36 CO 0.02 -0.07 0.80 0.00 -0.49 0.00 0.00 175.26 175.53 1brz s PHE 38 N 3.38 3.03 0.92 0.00 0.40 -0.32 -4.73 117.98 120.66 1brz s PHE 38 Ca 0.25 -0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.41 1brz s PHE 38 Cb -0.15 -1.53 0.18 0.00 0.51 0.00 0.00 43.02 42.03 1brz s PHE 38 CO 0.17 0.50 1.28 0.71 0.70 0.00 0.00 175.22 178.57 1brz s TYR 39 N -1.44 1.73 -0.33 0.36 1.51 -1.26 0.23 117.35 118.16 1brz s TYR 39 Ca 0.27 0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 56.62 1brz s TYR 39 Cb -0.11 -3.96 0.19 0.00 -0.11 0.00 0.00 41.96 37.97 1brz s TYR 39 CO 0.20 -2.48 0.84 0.16 -1.11 0.00 0.00 175.55 173.16 1brz s ASP 40 N -4.85 -0.96 -0.16 2.29 1.47 -1.23 -4.83 116.67 108.41 1brz s ASP 40 Ca 0.72 -0.16 -0.02 0.00 1.18 0.00 0.00 52.55 54.27 1brz s ASP 40 Cb -0.05 1.42 0.02 0.00 -0.34 0.00 0.00 42.92 43.97 1brz s ASP 40 CO 0.52 -0.14 0.05 1.21 0.68 0.00 0.00 175.17 177.48 1brz n GLU 41 N 4.68 -1.51 0.00 2.11 2.13 -1.26 -4.25 120.64 122.54 1brz n GLU 41 Ca 0.08 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1brz n GLU 41 Cb 0.58 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.69 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1brz n LYS 42 N -1.08 0.00 -0.59 5.31 5.02 -1.26 -4.98 118.16 120.57 1brz n LYS 42 Ca 0.01 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1brz n LYS 42 Cb 0.17 -0.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1brz n ARG 43 N 0.00 -0.18 -3.41 1.97 5.12 -1.26 -4.92 116.66 113.99 1brz n ARG 43 Ca 0.00 0.04 -0.38 0.00 -1.93 0.00 0.00 57.85 55.59 1brz n ARG 43 Cb 0.27 -4.36 -0.06 0.00 -1.16 0.00 0.00 32.46 27.15 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1brz s ASN 44 N -2.09 6.69 -0.30 0.55 0.02 -1.26 -4.93 114.94 113.63 1brz s ASN 44 Ca 0.00 0.82 -0.24 0.00 -1.02 0.00 0.00 52.86 52.43 1brz s ASN 44 Cb 0.00 -2.26 -0.00 0.00 0.02 0.00 0.00 41.25 39.01 1brz s ASN 44 CO 0.00 0.12 0.79 -1.48 0.02 0.00 0.00 177.10 176.56 1brz s LEU 45 N 0.03 4.08 -0.09 0.60 2.34 -1.26 -3.50 118.68 120.88 1brz s LEU 45 Ca 0.24 0.70 -0.06 0.00 0.06 0.00 0.00 54.13 55.08 1brz s LEU 45 Cb -0.15 -3.09 -0.04 0.00 -0.56 0.00 0.00 46.19 42.35 1brz s LEU 45 CO 0.10 -0.60 0.14 -1.58 -1.06 0.00 0.00 176.35 173.35 1brz s GLN 46 N 2.95 3.39 -0.80 1.48 0.74 0.14 -4.79 119.66 122.76 1brz s GLN 46 Ca 0.33 -0.20 -0.25 0.00 0.05 0.00 0.00 55.36 55.28 1brz s GLN 46 Cb -0.14 -3.13 -0.02 0.00 1.10 0.00 0.00 33.01 30.82 1brz s GLN 46 CO 0.12 0.75 1.80 0.00 -0.55 0.00 0.00 175.29 177.41 1brz s ILE 48 N 8.76 5.00 -0.35 0.00 1.01 0.81 -0.85 121.20 135.59 1brz s ILE 48 Ca 0.63 1.09 -0.19 0.00 0.00 0.00 0.00 60.65 62.18 1brz s ILE 48 Cb -0.08 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 1brz s ILE 48 CO 0.07 0.05 0.55 0.00 0.00 0.00 0.00 174.94 175.61 1brz s ASP 50 N 1.76 6.87 -0.03 0.00 1.11 0.28 -0.35 116.67 126.32 1brz s ASP 50 Ca 0.21 1.04 0.11 0.00 0.18 0.00 0.00 52.55 54.09 1brz s ASP 50 Cb -0.15 -2.32 -0.17 0.00 1.07 0.00 0.00 42.92 41.35 1brz s ASP 50 CO 0.14 0.15 0.21 -1.22 1.18 0.00 0.00 175.17 175.63 1brz n TYR 51 N 2.63 0.00 0.00 4.23 4.02 -0.35 0.28 117.16 127.97 1brz n TYR 51 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1brz n TYR 51 Cb 0.51 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1brz n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1brz n GLU 53 N -0.96 0.00 0.00 0.00 0.28 -1.26 -5.13 120.64 113.57 1brz n GLU 53 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1brz n GLU 53 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63