#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brz s LYS 3 N 0.00 4.31 0.00 0.11 -0.14 -1.26 -4.91 119.74 117.85 1brz s LYS 3 Ca 0.00 1.41 0.18 0.00 -1.36 0.00 0.00 55.97 56.20 1brz s LYS 3 Cb 0.00 -3.62 0.50 0.00 -1.68 0.00 0.00 37.83 33.03 1brz s LYS 3 CO 0.00 -0.54 1.42 0.00 -0.76 0.00 0.00 175.35 175.46 1brz s LYS 5 N -1.36 0.30 -0.16 0.00 0.00 -1.26 0.14 119.74 117.41 1brz s LYS 5 Ca 0.36 0.53 -0.10 0.00 0.00 0.00 0.00 55.97 56.77 1brz s LYS 5 Cb 0.19 0.02 0.05 0.00 0.00 0.00 0.00 37.83 38.10 1brz s LYS 5 CO 0.26 -0.11 0.39 -1.59 0.00 0.00 0.00 175.35 174.30 1brz s LYS 6 N 0.82 0.39 0.39 1.78 -2.85 -0.44 -4.96 119.74 114.87 1brz s LYS 6 Ca -0.05 0.72 -0.27 0.00 -1.00 0.00 0.00 55.97 55.37 1brz s LYS 6 Cb -0.06 0.01 -0.09 0.00 -2.06 0.00 0.00 37.83 35.62 1brz s LYS 6 CO -0.06 -0.14 1.35 0.14 0.10 0.00 0.00 175.35 176.74 1brz s VAL 7 N 1.18 2.48 0.00 1.79 -7.23 -1.26 -1.42 120.40 115.93 1brz s VAL 7 Ca -0.08 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 1brz s VAL 7 Cb -0.08 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1brz s VAL 7 CO -0.10 0.08 0.22 0.00 -0.31 0.00 0.00 175.10 174.99 1brz n TYR 8 N 0.31 0.00 -2.43 2.82 4.19 0.02 -4.89 117.16 117.18 1brz n TYR 8 Ca 0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.23 1brz n TYR 8 Cb 0.42 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.25 1brz n TYR 8 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1brz n GLU 9 N -0.38 0.00 -0.25 2.98 1.02 -1.26 -4.95 120.64 117.80 1brz n GLU 9 Ca 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 57.16 57.43 1brz n GLU 9 Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 31.44 31.87 1brz n GLU 9 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1brz n ASN 10 N 0.00 0.00 -0.03 1.62 3.02 -1.26 -4.72 115.26 113.89 1brz n ASN 10 Ca 0.00 0.75 0.00 0.00 -0.03 0.00 0.00 54.58 55.30 1brz n ASN 10 Cb 0.00 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1brz n TYR 11 N -3.23 0.00 -0.91 3.10 9.36 -1.26 -4.59 117.16 119.64 1brz n TYR 11 Ca 0.24 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.20 1brz n TYR 11 Cb 1.52 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 40.20 1brz n TYR 11 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1brz n PRO 12 N 0.05 2.52 0.00 2.98 -0.04 -1.26 -4.91 135.00 134.34 1brz n PRO 12 Ca 0.00 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 1brz n PRO 12 Cb 0.00 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1brz n PRO 12 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1brz n VAL 13 N 3.88 0.00 -0.55 0.52 3.14 -1.26 -4.74 118.33 119.32 1brz n VAL 13 Ca 0.54 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.92 1brz n VAL 13 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 1brz n VAL 13 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1brz n SER 14 N 0.00 0.00 -3.15 6.55 3.41 -1.26 -4.94 113.62 114.23 1brz n SER 14 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1brz n SER 14 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1brz n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1brz s LYS 15 N -0.24 0.44 -0.31 4.33 1.02 -1.26 -5.12 119.74 118.60 1brz s LYS 15 Ca 0.00 0.74 -0.08 0.00 0.02 0.00 0.00 55.97 56.65 1brz s LYS 15 Cb 0.00 0.41 0.19 0.00 -0.52 0.00 0.00 37.83 37.90 1brz s LYS 15 CO 0.00 -0.53 0.97 0.00 -0.92 0.00 0.00 175.35 174.88 1brz n GLN 17 N 4.85 0.00 -3.59 0.00 6.02 -1.26 -5.09 117.38 118.31 1brz n GLN 17 Ca 0.08 -0.14 -0.11 0.00 -0.01 0.00 0.00 57.00 56.82 1brz n GLN 17 Cb 0.58 0.19 -0.06 0.00 1.02 0.00 0.00 30.24 31.97 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 -0.46 -0.70 1.08 1.02 -1.26 -5.09 118.68 113.27 1brz s LEU 18 Ca 0.00 0.65 -0.25 0.00 0.02 0.00 0.00 54.13 54.55 1brz s LEU 18 Cb 0.00 2.00 -0.14 0.00 0.02 0.00 0.00 46.19 48.07 1brz s LEU 18 CO 0.00 -0.31 2.42 0.00 0.02 0.00 0.00 176.35 178.48 1brz n ALA 19 N 1.33 0.59 -2.15 4.21 0.00 -1.26 -4.55 120.51 118.68 1brz n ALA 19 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1brz n ALA 19 Cb 0.57 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 15.63 0.33 0.00 0.00 4.05 -1.26 -4.87 115.26 129.13 1brz n ASN 20 Ca 0.47 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.50 1brz n ASN 20 Cb 0.42 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.43 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1brz n GLN 21 N 0.00 0.00 0.12 1.20 1.13 -1.26 0.32 117.38 118.89 1brz n GLN 21 Ca 0.00 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 1brz n GLN 21 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.28 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1brz h ASN 23 N -0.62 -0.80 -0.35 0.00 -1.24 0.51 0.72 115.58 113.81 1brz h ASN 23 Ca 0.02 0.08 0.07 0.00 0.71 0.00 0.00 56.30 57.19 1brz h ASN 23 Cb 0.64 0.29 -0.07 0.00 0.73 0.00 0.00 38.32 39.90 1brz h ASN 23 CO -0.21 -0.31 -0.14 0.22 -1.29 0.00 0.00 177.43 175.69 1brz h TYR 24 N -0.44 -0.34 0.15 0.67 3.20 -0.80 0.11 116.97 119.51 1brz h TYR 24 Ca -0.01 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1brz h TYR 24 Cb 0.42 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1brz h TYR 24 CO -0.30 -0.22 -0.52 -0.44 -1.64 0.00 0.00 178.16 175.04 1brz h ASP 25 N -0.08 -1.55 -0.91 -2.11 5.19 0.14 -1.31 116.42 115.80 1brz h ASP 25 Ca 0.17 0.16 0.11 0.00 -0.62 0.00 0.00 57.03 56.86 1brz h ASP 25 Cb 0.34 0.57 -0.08 0.00 0.18 0.00 0.00 39.33 40.34 1brz h ASP 25 CO -0.40 -0.56 0.54 0.00 -3.12 0.00 0.00 179.24 175.70 1brz n LYS 27 N -4.71 0.00 0.00 0.00 3.00 0.35 -1.25 118.16 115.56 1brz n LYS 27 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1brz n LYS 27 Cb 0.33 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 34.05 1brz n LYS 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1brz n LEU 28 N -0.80 0.00 -0.10 3.14 0.00 0.08 -4.75 117.00 114.57 1brz n LEU 28 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.89 1brz n LEU 28 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1brz n LEU 28 CO 0.00 0.00 0.68 0.44 0.00 0.00 0.00 177.39 178.51 1brz h ASP 29 N 0.00 0.62 -0.42 1.96 3.32 0.68 -3.18 116.42 119.40 1brz h ASP 29 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1brz h ASP 29 Cb 0.00 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1brz h ASP 29 CO 0.00 0.87 0.00 0.29 -1.72 0.00 0.00 179.24 178.68 1brz n LYS 30 N -4.43 2.88 -4.25 3.56 4.01 -1.20 -4.97 118.16 113.76 1brz n LYS 30 Ca -0.03 -2.23 -0.31 0.00 -0.51 0.00 0.00 58.31 55.22 1brz n LYS 30 Cb 0.36 -1.38 -0.07 0.00 -0.51 0.00 0.00 35.03 33.43 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1brz n HIS 31 N 0.67 -1.37 -2.11 2.13 8.25 -1.04 -4.92 115.22 116.83 1brz n HIS 31 Ca 0.15 0.66 -0.21 0.00 -0.26 0.00 0.00 57.72 58.06 1brz n HIS 31 Cb 0.50 -2.92 0.13 0.00 1.12 0.00 0.00 29.99 28.82 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1brz n ALA 32 N -4.47 -0.55 -0.09 -1.41 0.00 -0.38 -4.96 120.51 108.65 1brz n ALA 32 Ca -0.25 -1.45 -0.09 0.00 0.00 0.00 0.00 53.44 51.65 1brz n ALA 32 Cb 0.65 0.09 -0.15 0.00 0.00 0.00 0.00 19.45 20.05 1brz n ALA 32 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1brz n ARG 33 N -2.86 0.96 -3.59 0.00 0.00 -0.42 -4.71 116.66 106.05 1brz n ARG 33 Ca 0.13 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.85 57.91 1brz n ARG 33 Cb 0.46 -1.48 -0.03 0.00 0.00 0.00 0.00 32.46 31.41 1brz n ARG 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1brz s SER 34 N -5.29 -0.22 0.00 6.15 1.04 -0.49 -4.95 113.70 109.95 1brz s SER 34 Ca -0.09 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1brz s SER 34 Cb 0.06 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1brz s SER 34 CO 0.76 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.31 1brz n GLY 35 N 0.24 0.27 0.00 7.32 0.00 -1.26 0.35 105.19 112.10 1brz n GLY 35 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1brz n GLY 35 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1brz n GLU 36 N -0.75 0.00 -3.06 1.61 0.28 0.04 -3.85 120.64 114.91 1brz n GLU 36 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 1brz n GLU 36 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 1brz n GLU 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1brz s PHE 38 N 0.93 0.53 0.00 0.00 0.08 -0.35 -4.91 117.98 114.26 1brz s PHE 38 Ca 0.36 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.54 1brz s PHE 38 Cb -0.17 -0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.18 1brz s PHE 38 CO 0.17 -0.76 0.00 0.66 -0.10 0.00 0.00 175.22 175.18 1brz n TYR 39 N -0.26 0.00 -1.36 0.36 4.02 -1.26 -1.25 117.16 117.42 1brz n TYR 39 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1brz n TYR 39 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 1brz n TYR 39 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1brz n ASP 40 N 0.00 -4.99 0.00 7.72 5.75 -1.26 -4.67 116.55 119.10 1brz n ASP 40 Ca 0.00 1.09 0.00 0.00 -0.01 0.00 0.00 54.79 55.87 1brz n ASP 40 Cb 0.00 -3.65 0.00 0.00 -1.03 0.00 0.00 41.12 36.44 1brz n ASP 40 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1brz n GLU 41 N -2.31 0.00 -1.35 0.11 0.28 -1.26 -4.22 120.64 111.89 1brz n GLU 41 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1brz n GLU 41 Cb 0.27 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.13 1brz n GLU 41 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1brz n LYS 42 N 0.00 0.10 -1.31 3.44 4.81 -1.26 -4.96 118.16 118.97 1brz n LYS 42 Ca 0.00 -1.57 -0.13 0.00 -0.87 0.00 0.00 58.31 55.74 1brz n LYS 42 Cb 0.00 0.19 -0.05 0.00 0.02 0.00 0.00 35.03 35.18 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1brz n ARG 43 N 0.18 -1.46 -3.46 1.64 3.00 -1.26 -4.90 116.66 110.39 1brz n ARG 43 Ca -0.10 0.81 -0.38 0.00 -0.01 0.00 0.00 57.85 58.17 1brz n ARG 43 Cb 0.93 -5.04 -0.08 0.00 0.00 0.00 0.00 32.46 28.27 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1brz s ASN 44 N -2.15 6.36 -0.41 0.55 -0.87 -1.26 -4.91 114.94 112.25 1brz s ASN 44 Ca 0.00 0.42 -0.25 0.00 -1.57 0.00 0.00 52.86 51.47 1brz s ASN 44 Cb 0.00 -2.20 0.02 0.00 -0.02 0.00 0.00 41.25 39.05 1brz s ASN 44 CO 0.00 -0.03 0.87 -0.22 -2.57 0.00 0.00 177.10 175.15 1brz s LEU 45 N 1.20 4.06 0.08 0.60 2.96 -1.26 -4.05 118.68 122.28 1brz s LEU 45 Ca 0.16 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1brz s LEU 45 Cb -0.14 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 1brz s LEU 45 CO 0.07 -0.90 0.06 -1.10 -1.32 0.00 0.00 176.35 173.16 1brz s GLN 46 N 3.45 0.76 -0.78 1.98 -0.21 -0.38 -4.90 119.66 119.59 1brz s GLN 46 Ca 0.35 -1.19 -0.26 0.00 0.02 0.00 0.00 55.36 54.28 1brz s GLN 46 Cb -0.12 0.26 0.01 0.00 1.00 0.00 0.00 33.01 34.16 1brz s GLN 46 CO 0.21 -0.20 1.57 0.00 -2.12 0.00 0.00 175.29 174.76 1brz s ILE 48 N 7.17 4.93 -0.42 0.00 1.01 0.22 -0.80 121.20 133.30 1brz s ILE 48 Ca 0.51 0.84 -0.19 0.00 0.00 0.00 0.00 60.65 61.81 1brz s ILE 48 Cb -0.08 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.41 1brz s ILE 48 CO 0.10 -0.16 0.57 0.00 0.00 0.00 0.00 174.94 175.45 1brz s ASP 50 N 1.92 6.22 0.00 0.00 -1.08 1.06 -1.32 116.67 123.47 1brz s ASP 50 Ca 0.19 0.50 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1brz s ASP 50 Cb -0.15 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 1brz s ASP 50 CO 0.17 -0.40 0.00 -1.22 0.52 0.00 0.00 175.17 174.24 1brz n TYR 51 N -1.90 0.00 1.05 -5.34 4.02 0.37 -1.30 117.16 114.06 1brz n TYR 51 Ca -0.03 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.98 1brz n TYR 51 Cb 0.56 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.97 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 0.35 0.00 0.00 0.00 1.02 -1.26 -5.08 120.64 115.67 1brz n GLU 53 Ca 0.11 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.39 1brz n GLU 53 Cb 0.49 0.00 0.50 0.00 -0.02 0.00 0.00 31.44 32.41 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97