#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 0.14 0.00 0.11 2.36 -1.26 -4.99 119.74 116.09 1brz s LYS 3 Ca 0.00 0.39 0.00 0.00 -2.55 0.00 0.00 55.97 53.81 1brz s LYS 3 Cb 0.00 -0.12 0.00 0.00 -1.05 0.00 0.00 37.83 36.66 1brz s LYS 3 CO 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 175.35 176.76 1brz s LYS 5 N 0.00 0.50 -0.19 0.00 -0.14 -1.26 -1.20 119.74 117.45 1brz s LYS 5 Ca 0.00 -0.87 -0.14 0.00 -1.36 0.00 0.00 55.97 53.60 1brz s LYS 5 Cb 0.00 -0.97 -0.04 0.00 -1.68 0.00 0.00 37.83 35.13 1brz s LYS 5 CO 0.00 -1.15 0.30 0.15 -0.76 0.00 0.00 175.35 173.89 1brz s LYS 6 N 1.53 4.19 0.22 1.68 1.02 0.13 -4.83 119.74 123.69 1brz s LYS 6 Ca 0.15 0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.90 1brz s LYS 6 Cb -0.18 -3.49 -0.10 0.00 -0.52 0.00 0.00 37.83 33.55 1brz s LYS 6 CO -0.11 0.11 1.44 0.14 -0.92 0.00 0.00 175.35 176.01 1brz s VAL 7 N 0.87 2.78 -0.88 3.17 -7.23 -1.26 -0.33 120.40 117.52 1brz s VAL 7 Ca 0.16 0.62 -0.25 0.00 -1.81 0.00 0.00 61.98 60.70 1brz s VAL 7 Cb -0.14 -3.40 0.02 0.00 0.56 0.00 0.00 36.38 33.42 1brz s VAL 7 CO 0.05 0.09 1.54 -0.47 -0.31 0.00 0.00 175.10 175.99 1brz s TYR 8 N 0.30 2.24 0.83 2.82 6.14 0.46 -4.85 117.35 125.29 1brz s TYR 8 Ca 0.61 -0.19 -0.09 0.00 0.64 0.00 0.00 57.07 58.04 1brz s TYR 8 Cb -0.41 -4.50 0.14 0.00 0.42 0.00 0.00 41.96 37.61 1brz s TYR 8 CO 0.39 -1.98 0.32 0.39 0.64 0.00 0.00 175.55 175.31 1brz n GLU 9 N 9.05 -0.69 0.00 4.97 1.02 -1.26 -4.41 120.64 129.33 1brz n GLU 9 Ca 0.25 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 1brz n GLU 9 Cb 0.50 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 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 -0.60 0.00 -3.63 1.62 4.13 -1.26 -4.98 115.26 110.55 1brz n ASN 10 Ca 0.05 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.25 1brz n ASN 10 Cb 0.22 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.40 1brz n ASN 10 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1brz s TYR 11 N 0.00 -0.25 0.00 3.10 5.04 -1.26 -5.13 117.35 118.85 1brz s TYR 11 Ca 0.00 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 1brz s TYR 11 Cb 0.00 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.75 1brz s TYR 11 CO 0.00 -0.17 0.00 -2.30 -1.34 0.00 0.00 175.55 171.74 1brz n PRO 12 N 1.34 1.86 0.02 4.97 -0.02 -1.26 -4.99 135.00 136.91 1brz n PRO 12 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1brz n PRO 12 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 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 0.00 0.00 -0.31 -1.45 0.31 -1.26 -4.94 118.33 110.68 1brz n VAL 13 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1brz n VAL 13 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 -2.72 0.63 0.01 4.52 3.41 -1.26 -2.86 113.62 115.35 1brz n SER 14 Ca 0.00 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 1brz n SER 14 Cb 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1brz n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1brz n LYS 15 N 6.81 0.00 0.00 4.33 5.02 -1.26 -5.04 118.16 128.02 1brz n LYS 15 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1brz n LYS 15 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 1brz n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1brz n GLN 17 N 0.00 0.00 -3.14 0.00 6.02 -1.26 -4.14 117.38 114.86 1brz n GLN 17 Ca 0.00 -0.06 0.04 0.00 -0.01 0.00 0.00 57.00 56.98 1brz n GLN 17 Cb 0.00 -1.31 -0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.18 -0.78 1.08 1.43 -1.17 -5.08 118.68 112.97 1brz s LEU 18 Ca 0.00 0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 1brz s LEU 18 Cb 0.00 1.72 -0.20 0.00 0.03 0.00 0.00 46.19 47.73 1brz s LEU 18 CO 0.00 -0.21 2.05 0.00 0.23 0.00 0.00 176.35 178.42 1brz n ALA 19 N 5.17 0.63 -0.81 4.21 0.00 -1.26 -3.44 120.51 125.01 1brz n ALA 19 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1brz n ALA 19 Cb 0.56 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 11.87 0.00 -2.06 0.00 4.05 -1.26 -4.86 115.26 123.00 1brz n ASN 20 Ca 0.46 0.00 -0.00 0.00 0.45 0.00 0.00 54.58 55.49 1brz n ASN 20 Cb 0.34 0.03 -0.00 0.00 1.23 0.00 0.00 39.78 41.38 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 -0.88 0.03 0.11 1.20 3.00 -1.22 -0.75 117.38 118.86 1brz n GLN 21 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1brz n GLN 21 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.75 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1brz h ASN 23 N 0.00 -0.69 -0.37 0.00 -1.24 -0.15 0.29 115.58 113.43 1brz h ASN 23 Ca 0.00 0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.13 1brz h ASN 23 Cb 0.00 0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.24 1brz h ASN 23 CO 0.00 -0.36 0.09 0.22 -1.29 0.00 0.00 177.43 176.09 1brz h TYR 24 N -0.52 0.16 0.10 0.67 3.20 -1.25 0.48 116.97 119.82 1brz h TYR 24 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1brz h TYR 24 Cb 0.49 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1brz h TYR 24 CO -0.18 0.04 -0.06 -0.44 -1.64 0.00 0.00 178.16 175.88 1brz h ASP 25 N 0.23 -0.16 -0.92 -2.11 5.19 -1.53 -2.94 116.42 114.18 1brz h ASP 25 Ca 0.18 0.01 0.16 0.00 -0.62 0.00 0.00 57.03 56.76 1brz h ASP 25 Cb 0.19 0.05 -0.10 0.00 0.18 0.00 0.00 39.33 39.64 1brz h ASP 25 CO -0.21 -0.10 0.51 0.00 -3.12 0.00 0.00 179.24 176.32 1brz n LYS 27 N -4.82 0.00 0.00 0.00 4.81 0.17 -1.12 118.16 117.19 1brz n LYS 27 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1brz n LYS 27 Cb 0.49 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 -0.68 0.00 0.08 3.14 7.94 0.10 -4.70 117.00 122.89 1brz n LEU 28 Ca 0.00 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 1brz n LEU 28 Cb 0.00 0.08 0.42 0.00 0.53 0.00 0.00 43.42 44.45 1brz n LEU 28 CO 0.00 -0.08 0.80 0.47 -1.11 0.00 0.00 177.39 177.48 1brz n ASP 29 N -1.49 0.42 0.00 1.96 9.92 1.35 -3.00 116.55 125.71 1brz n ASP 29 Ca 0.00 0.61 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 1brz n ASP 29 Cb 0.00 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 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 -1.97 0.13 -3.28 -1.24 4.01 -1.16 -4.94 118.16 109.70 1brz n LYS 30 Ca 0.02 -0.37 -0.23 0.00 -0.51 0.00 0.00 58.31 57.22 1brz n LYS 30 Cb 0.20 -0.55 0.01 0.00 -0.51 0.00 0.00 35.03 34.18 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 -0.03 -1.85 -1.28 2.13 -0.00 -1.09 -4.96 115.22 108.15 1brz n HIS 31 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 1brz n HIS 31 Cb 0.38 -3.40 0.00 0.00 -0.00 0.00 0.00 29.99 26.97 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1brz n ALA 32 N -3.56 0.00 -0.06 1.59 0.00 -0.28 -4.94 120.51 113.26 1brz n ALA 32 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1brz n ALA 32 Cb 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.72 0.66 -2.81 0.00 3.00 0.52 -4.61 116.66 112.70 1brz n ARG 33 Ca 0.00 0.15 -0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1brz n ARG 33 Cb 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 32.46 30.81 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 -2.95 -0.79 -3.31 6.15 3.41 -0.25 -4.84 113.62 111.05 1brz n SER 34 Ca -0.26 -1.34 -0.10 0.00 -0.26 0.00 0.00 58.87 56.91 1brz n SER 34 Cb 1.10 1.27 -0.06 0.00 -0.26 0.00 0.00 64.21 66.26 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 -2.94 -0.51 0.00 5.00 0.00 -1.26 -0.17 107.32 107.45 1brz s GLY 35 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1brz s GLY 35 CO 0.02 3.05 0.00 -2.21 0.00 0.00 0.00 173.10 173.96 1brz n GLU 36 N 4.84 1.10 -3.70 2.90 4.07 0.45 -0.58 120.64 129.71 1brz n GLU 36 Ca 0.06 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.03 1brz n GLU 36 Cb 0.49 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.78 1brz n GLU 36 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1brz s PHE 38 N 0.53 -0.07 0.00 0.00 0.08 -0.47 -4.87 117.98 113.18 1brz s PHE 38 Ca -0.02 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.78 1brz s PHE 38 Cb -0.04 0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.53 1brz s PHE 38 CO -0.03 -0.61 0.00 2.48 -0.10 0.00 0.00 175.22 176.96 1brz n TYR 39 N -0.00 0.00 0.00 0.36 4.11 -1.26 -1.64 117.16 118.73 1brz n TYR 39 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 1brz n TYR 39 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.96 1brz n TYR 39 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1brz n ASP 40 N 0.00 0.00 0.00 9.48 5.75 -1.26 -4.93 116.55 125.59 1brz n ASP 40 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1brz n ASP 40 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1brz n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1brz n GLU 41 N 0.00 0.00 -1.18 0.11 1.02 -1.26 -3.57 120.64 115.75 1brz n GLU 41 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1brz n GLU 41 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1brz n LYS 42 N 0.00 0.00 0.00 3.49 4.76 -1.26 -4.91 118.16 120.24 1brz n LYS 42 Ca 0.00 -1.40 0.00 0.00 -2.87 0.00 0.00 58.31 54.04 1brz n LYS 42 Cb 0.00 0.22 0.00 0.00 -1.84 0.00 0.00 35.03 33.41 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1brz n ARG 43 N 0.22 0.26 0.00 1.97 5.12 -1.23 -4.69 116.66 118.30 1brz n ARG 43 Ca -0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 1brz n ARG 43 Cb 0.89 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 31.11 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1brz n ASN 44 N 0.04 0.00 -1.87 0.55 4.13 -1.26 -4.60 115.26 112.25 1brz n ASN 44 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1brz n ASN 44 Cb 0.04 -0.77 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 1brz n ASN 44 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1brz n LEU 45 N 0.00 -5.06 -4.11 3.41 7.94 -1.26 -4.83 117.00 113.08 1brz n LEU 45 Ca 0.00 3.33 -0.10 0.00 -1.11 0.00 0.00 56.01 58.13 1brz n LEU 45 Cb 0.00 -3.30 -0.09 0.00 0.53 0.00 0.00 43.42 40.55 1brz n LEU 45 CO 0.00 -0.27 -0.25 -1.10 -1.11 0.00 0.00 177.39 174.66 1brz s GLN 46 N -2.55 0.95 -0.47 1.96 1.11 -0.65 -4.74 119.66 115.27 1brz s GLN 46 Ca 0.00 -1.38 -0.29 0.00 0.01 0.00 0.00 55.36 53.70 1brz s GLN 46 Cb 0.00 0.26 0.03 0.00 -1.01 0.00 0.00 33.01 32.29 1brz s GLN 46 CO 0.00 -0.28 1.11 0.00 0.01 0.00 0.00 175.29 176.13 1brz s ILE 48 N 4.36 5.19 -0.31 0.00 1.09 0.38 -0.40 121.20 131.51 1brz s ILE 48 Ca 0.47 0.78 -0.21 0.00 -1.10 0.00 0.00 60.65 60.58 1brz s ILE 48 Cb -0.08 -3.76 -0.01 0.00 -1.06 0.00 0.00 42.46 37.56 1brz s ILE 48 CO 0.31 0.26 0.69 0.00 -0.10 0.00 0.00 174.94 176.10 1brz s ASP 50 N 1.64 6.40 -0.02 0.00 -1.08 0.76 -0.69 116.67 123.67 1brz s ASP 50 Ca 0.28 0.47 0.21 0.00 -0.52 0.00 0.00 52.55 52.99 1brz s ASP 50 Cb -0.15 -2.26 -0.31 0.00 -1.46 0.00 0.00 42.92 38.75 1brz s ASP 50 CO 0.12 -0.22 0.58 -1.22 0.52 0.00 0.00 175.17 174.95 1brz n TYR 51 N 5.26 0.00 -2.96 -5.34 4.02 -0.34 -0.36 117.16 117.45 1brz n TYR 51 Ca -0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.69 1brz n TYR 51 Cb 0.50 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 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 0.13 0.00 0.00 0.00 0.00 -1.26 -4.98 120.64 114.53 1brz n GLU 53 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.40 1brz n GLU 53 Cb 0.73 0.00 0.42 0.00 0.00 0.00 0.00 31.44 32.59 1brz n GLU 53 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11