#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 -2.39 0.00 -1.24 5.02 -1.26 -3.20 118.16 115.09 1brz n LYS 3 Ca 0.00 2.13 0.00 0.00 -2.02 0.00 0.00 58.31 58.42 1brz n LYS 3 Cb 0.00 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.40 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 0.00 4.09 -0.10 0.00 -2.85 -1.19 -0.79 119.74 118.90 1brz s LYS 5 Ca 0.00 0.09 -0.07 0.00 -1.00 0.00 0.00 55.97 54.99 1brz s LYS 5 Cb 0.00 -3.36 0.04 0.00 -2.06 0.00 0.00 37.83 32.44 1brz s LYS 5 CO 0.00 0.38 0.25 0.15 0.10 0.00 0.00 175.35 176.23 1brz s LYS 6 N 0.04 0.25 0.71 1.78 1.02 -0.35 -4.14 119.74 119.05 1brz s LYS 6 Ca 0.17 0.45 -0.15 0.00 0.02 0.00 0.00 55.97 56.46 1brz s LYS 6 Cb -0.13 0.01 0.03 0.00 -0.52 0.00 0.00 37.83 37.21 1brz s LYS 6 CO 0.05 -0.10 1.17 0.14 -0.92 0.00 0.00 175.35 175.68 1brz s VAL 7 N 0.72 2.66 -1.04 3.17 -7.23 -1.26 -1.43 120.40 115.99 1brz s VAL 7 Ca -0.05 0.31 -0.15 0.00 -1.81 0.00 0.00 61.98 60.29 1brz s VAL 7 Cb -0.06 -2.84 0.18 0.00 0.56 0.00 0.00 36.38 34.22 1brz s VAL 7 CO -0.04 -0.19 1.18 -0.47 -0.31 0.00 0.00 175.10 175.27 1brz s TYR 8 N -2.15 3.52 1.22 2.82 6.14 0.12 -4.83 117.35 124.19 1brz s TYR 8 Ca 0.71 -1.94 -0.16 0.00 0.64 0.00 0.00 57.07 56.32 1brz s TYR 8 Cb -0.25 -4.16 0.28 0.00 0.42 0.00 0.00 41.96 38.24 1brz s TYR 8 CO 0.44 -1.30 0.77 -0.85 0.64 0.00 0.00 175.55 175.25 1brz n GLU 9 N 5.27 -2.80 0.00 4.97 0.00 -1.26 -4.38 120.64 122.45 1brz n GLU 9 Ca 0.27 -0.80 0.00 0.00 0.00 0.00 0.00 57.16 56.63 1brz n GLU 9 Cb 0.45 -2.01 0.00 0.00 0.00 0.00 0.00 31.44 29.88 1brz n GLU 9 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1brz n ASN 10 N -4.40 0.00 0.00 -1.84 2.04 -1.26 -4.95 115.26 104.85 1brz n ASN 10 Ca 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.17 1brz n ASN 10 Cb 0.56 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.81 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1brz n TYR 11 N 0.84 0.00 -0.73 -2.53 4.19 -1.26 -5.06 117.16 112.62 1brz n TYR 11 Ca 0.00 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.20 1brz n TYR 11 Cb 0.00 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 39.82 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1brz n PRO 12 N -0.20 0.00 0.28 2.98 -0.02 -1.26 -4.65 135.00 132.13 1brz n PRO 12 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1brz n PRO 12 Cb 0.00 -0.70 0.80 0.00 -0.02 0.00 0.00 33.50 33.58 1brz n PRO 12 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1brz h VAL 13 N 4.91 0.71 -0.35 -1.45 3.04 -1.94 -2.53 116.25 118.64 1brz h VAL 13 Ca 0.00 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1brz h VAL 13 Cb 0.71 1.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.99 1brz h VAL 13 CO 0.74 0.01 0.17 0.77 -1.01 0.00 0.00 177.57 178.24 1brz h SER 14 N 0.00 0.46 -0.37 3.17 4.64 -1.93 -3.37 113.55 116.15 1brz h SER 14 Ca -0.00 -0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 61.01 1brz h SER 14 Cb 0.02 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1brz h SER 14 CO 0.00 0.46 0.54 -0.54 -0.87 0.00 0.00 176.83 176.42 1brz s LYS 15 N -5.70 1.93 -0.32 4.77 3.01 -0.95 -4.63 119.74 117.85 1brz s LYS 15 Ca -0.13 -0.58 -0.08 0.00 -1.01 0.00 0.00 55.97 54.16 1brz s LYS 15 Cb 0.10 -5.07 0.19 0.00 -1.01 0.00 0.00 37.83 32.03 1brz s LYS 15 CO 0.73 -4.49 1.00 0.00 0.51 0.00 0.00 175.35 173.10 1brz n GLN 17 N 4.47 2.29 -2.60 0.00 1.13 -1.26 -5.02 117.38 116.39 1brz n GLN 17 Ca 0.08 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.11 1brz n GLN 17 Cb 0.60 -0.99 0.01 0.00 0.11 0.00 0.00 30.24 29.97 1brz n GLN 17 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1brz n LEU 18 N -2.18 0.00 -4.14 1.08 4.77 -1.26 -5.12 117.00 110.15 1brz n LEU 18 Ca 0.00 -1.04 -0.24 0.00 -0.03 0.00 0.00 56.01 54.70 1brz n LEU 18 Cb 0.49 1.73 0.20 0.00 -2.33 0.00 0.00 43.42 43.51 1brz n LEU 18 CO 0.00 -0.35 0.08 0.00 -1.33 0.00 0.00 177.39 175.79 1brz n ALA 19 N -1.78 -2.69 0.00 -1.18 0.00 -1.26 -4.35 120.51 109.25 1brz n ALA 19 Ca -0.08 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1brz n ALA 19 Cb 0.31 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.94 0.00 0.00 0.00 4.05 -1.26 -4.72 115.26 110.39 1brz n ASN 20 Ca 0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.10 1brz n ASN 20 Cb 0.48 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.49 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 0.00 0.00 -0.22 1.20 -0.06 -1.26 0.15 117.38 117.19 1brz n GLN 21 Ca 0.00 0.73 0.01 0.00 -2.00 0.00 0.00 57.00 55.73 1brz n GLN 21 Cb 0.00 -1.50 0.12 0.00 -4.06 0.00 0.00 30.24 24.80 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 0.46 -0.43 -0.61 0.00 -1.24 -1.77 0.32 115.58 112.32 1brz h ASN 23 Ca 0.32 0.03 0.12 0.00 0.71 0.00 0.00 56.30 57.49 1brz h ASN 23 Cb 0.39 0.14 -0.10 0.00 0.73 0.00 0.00 38.32 39.49 1brz h ASN 23 CO -0.30 -0.22 0.07 0.22 -1.29 0.00 0.00 177.43 175.91 1brz h TYR 24 N -0.33 0.09 -0.29 0.67 3.20 -0.16 0.90 116.97 121.04 1brz h TYR 24 Ca -0.02 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.95 1brz h TYR 24 Cb 0.28 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.54 1brz h TYR 24 CO -0.10 -0.10 -0.14 -0.44 -1.64 0.00 0.00 178.16 175.74 1brz h ASP 25 N 0.19 -0.47 -0.94 -2.11 5.19 -0.82 0.15 116.42 117.61 1brz h ASP 25 Ca 0.32 0.11 0.05 0.00 -0.62 0.00 0.00 57.03 56.90 1brz h ASP 25 Cb 0.51 0.26 -0.06 0.00 0.18 0.00 0.00 39.33 40.22 1brz h ASP 25 CO -0.47 -0.18 0.60 0.00 -3.12 0.00 0.00 179.24 176.08 1brz n LYS 27 N -4.53 0.00 0.00 0.00 3.00 0.48 -0.56 118.16 116.56 1brz n LYS 27 Ca 0.13 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1brz n LYS 27 Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.67 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 -0.96 0.00 0.00 3.14 7.94 0.30 -4.61 117.00 122.81 1brz n LEU 28 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1brz n LEU 28 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1brz n LEU 28 CO 0.00 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.75 1brz n ASP 29 N 0.00 0.00 0.00 1.96 9.92 -0.91 -2.67 116.55 124.85 1brz n ASP 29 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1brz n ASP 29 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1brz n ASP 29 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1brz n LYS 30 N 0.00 0.00 0.00 -1.24 4.01 -1.26 -5.10 118.16 114.57 1brz n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1brz n LYS 30 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1brz n LYS 30 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1brz n HIS 31 N -0.40 0.00 -2.44 2.13 1.44 -1.09 -5.10 115.22 109.76 1brz n HIS 31 Ca 0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 1brz n HIS 31 Cb 0.00 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.25 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1brz s ALA 32 N 0.00 3.32 -0.15 1.59 0.00 0.28 -4.94 121.76 121.86 1brz s ALA 32 Ca 0.00 -1.73 0.09 0.00 0.00 0.00 0.00 51.96 50.33 1brz s ALA 32 Cb 0.00 -2.15 -0.23 0.00 0.00 0.00 0.00 23.12 20.74 1brz s ALA 32 CO 0.00 -1.85 0.25 -2.13 0.00 0.00 0.00 175.76 172.03 1brz n ARG 33 N -3.16 0.68 -0.34 0.00 3.00 0.55 -4.26 116.66 113.13 1brz n ARG 33 Ca 0.17 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1brz n ARG 33 Cb 0.60 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.43 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1brz n SER 34 N -3.06 0.00 0.00 6.15 3.41 0.15 -4.74 113.62 115.53 1brz n SER 34 Ca -0.30 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1brz n SER 34 Cb 1.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 1brz n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1brz n GLY 35 N 0.00 -1.16 0.00 5.00 0.00 -1.26 -0.03 105.19 107.75 1brz n GLY 35 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1brz n GLY 35 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1brz n GLU 36 N 0.00 0.00 -3.76 1.61 0.00 0.17 -4.66 120.64 114.00 1brz n GLU 36 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 1brz n GLU 36 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 1brz n GLU 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1brz s PHE 38 N -0.55 0.27 0.80 0.00 0.40 -0.46 -4.87 117.98 113.57 1brz s PHE 38 Ca -0.07 -0.73 -0.09 0.00 -0.60 0.00 0.00 56.93 55.44 1brz s PHE 38 Cb -0.04 -0.16 0.12 0.00 0.51 0.00 0.00 43.02 43.45 1brz s PHE 38 CO 0.02 -0.49 1.12 0.71 0.70 0.00 0.00 175.22 177.28 1brz s TYR 39 N -3.87 2.25 0.05 0.36 1.51 -1.26 0.19 117.35 116.58 1brz s TYR 39 Ca 0.06 0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1brz s TYR 39 Cb 0.06 -3.47 0.00 0.00 -0.11 0.00 0.00 41.96 38.44 1brz s TYR 39 CO -0.11 -1.89 0.09 -0.40 -1.11 0.00 0.00 175.55 172.13 1brz n ASP 40 N -3.21 -0.26 0.10 2.29 5.75 -1.26 -4.80 116.55 115.16 1brz n ASP 40 Ca 0.12 -1.25 0.07 0.00 -0.01 0.00 0.00 54.79 53.72 1brz n ASP 40 Cb 0.60 0.45 0.37 0.00 -1.03 0.00 0.00 41.12 41.51 1brz n ASP 40 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1brz n GLU 41 N -0.08 0.09 -0.83 0.11 0.00 -1.26 -1.26 120.64 117.42 1brz n GLU 41 Ca -0.01 0.54 -0.08 0.00 0.00 0.00 0.00 57.16 57.61 1brz n GLU 41 Cb 0.08 -1.77 0.21 0.00 0.00 0.00 0.00 31.44 29.96 1brz n GLU 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1brz n LYS 42 N -1.96 2.78 -3.65 5.31 4.81 -1.26 -4.92 118.16 119.26 1brz n LYS 42 Ca -0.00 -2.32 -0.19 0.00 -0.87 0.00 0.00 58.31 54.93 1brz n LYS 42 Cb 0.06 -1.97 -0.02 0.00 0.02 0.00 0.00 35.03 33.12 1brz n LYS 42 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1brz n ARG 43 N -0.24 -0.80 0.00 1.64 0.00 -0.39 -4.78 116.66 112.09 1brz n ARG 43 Ca 0.35 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 1brz n ARG 43 Cb 1.22 -1.17 0.00 0.00 -0.00 0.00 0.00 32.46 32.51 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1brz n ASN 44 N -0.86 0.00 -3.86 2.89 3.02 -1.26 -4.97 115.26 110.22 1brz n ASN 44 Ca -0.10 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.35 1brz n ASN 44 Cb 0.30 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 1brz n ASN 44 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1brz s LEU 45 N 0.00 1.00 -0.19 3.41 1.43 -1.26 -4.21 118.68 118.86 1brz s LEU 45 Ca 0.00 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1brz s LEU 45 Cb 0.00 1.29 0.09 0.00 0.03 0.00 0.00 46.19 47.61 1brz s LEU 45 CO 0.00 -0.84 0.30 -1.10 0.23 0.00 0.00 176.35 174.95 1brz s GLN 46 N -3.90 0.24 -0.52 1.70 -0.21 0.49 -4.89 119.66 112.58 1brz s GLN 46 Ca 0.10 0.58 -0.27 0.00 0.02 0.00 0.00 55.36 55.79 1brz s GLN 46 Cb 0.03 -0.42 -0.02 0.00 1.00 0.00 0.00 33.01 33.60 1brz s GLN 46 CO -0.06 -0.48 1.88 0.00 -2.12 0.00 0.00 175.29 174.51 1brz s ILE 48 N 8.68 4.82 -0.29 0.00 -1.09 0.55 0.11 121.20 133.99 1brz s ILE 48 Ca 0.73 0.77 -0.13 0.00 -2.23 0.00 0.00 60.65 59.79 1brz s ILE 48 Cb -0.16 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 1brz s ILE 48 CO 0.25 -0.35 0.28 0.00 -1.23 0.00 0.00 174.94 173.90 1brz s ASP 50 N 1.71 6.38 0.04 0.00 1.01 0.96 -1.21 116.67 125.56 1brz s ASP 50 Ca 0.11 0.44 0.21 0.00 0.71 0.00 0.00 52.55 54.01 1brz s ASP 50 Cb -0.16 -2.16 -0.20 0.00 1.01 0.00 0.00 42.92 41.41 1brz s ASP 50 CO 0.11 0.12 0.67 -1.22 0.21 0.00 0.00 175.17 175.05 1brz n TYR 51 N 3.57 0.44 0.00 4.23 4.02 0.03 0.29 117.16 129.74 1brz n TYR 51 Ca -0.13 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1brz n TYR 51 Cb 0.52 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 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 -1.51 0.00 0.00 0.00 2.13 -1.26 -4.91 120.64 115.08 1brz n GLU 53 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1brz n GLU 53 Cb 0.00 0.00 0.75 0.00 0.27 0.00 0.00 31.44 32.46 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38