#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 4.34 0.12 -0.67 -0.14 -1.26 -4.92 119.74 117.20 1brz s LYS 3 Ca 0.00 1.00 0.21 0.00 -1.36 0.00 0.00 55.97 55.83 1brz s LYS 3 Cb 0.00 -3.54 0.87 0.00 -1.68 0.00 0.00 37.83 33.48 1brz s LYS 3 CO 0.00 -0.23 1.67 0.00 -0.76 0.00 0.00 175.35 176.03 1brz s LYS 5 N -3.12 0.34 -0.48 0.00 3.01 -1.26 -1.13 119.74 117.10 1brz s LYS 5 Ca 0.08 -0.61 -0.19 0.00 -1.01 0.00 0.00 55.97 54.23 1brz s LYS 5 Cb 0.11 -0.99 0.04 0.00 -1.01 0.00 0.00 37.83 35.98 1brz s LYS 5 CO 0.40 -1.08 0.61 0.15 0.51 0.00 0.00 175.35 175.94 1brz s LYS 6 N 1.90 3.16 0.15 1.68 1.02 -0.16 -4.87 119.74 122.63 1brz s LYS 6 Ca 0.12 -0.73 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 1brz s LYS 6 Cb -0.17 -4.04 -0.09 0.00 -0.52 0.00 0.00 37.83 33.01 1brz s LYS 6 CO -0.25 -1.13 1.47 0.14 -0.92 0.00 0.00 175.35 174.67 1brz s VAL 7 N 2.65 2.92 -1.00 3.17 -7.23 -1.26 -1.51 120.40 118.14 1brz s VAL 7 Ca 0.17 0.68 -0.07 0.00 -1.81 0.00 0.00 61.98 60.95 1brz s VAL 7 Cb -0.17 -3.43 -0.08 0.00 0.56 0.00 0.00 36.38 33.25 1brz s VAL 7 CO 0.14 0.06 2.45 0.00 -0.31 0.00 0.00 175.10 177.44 1brz n TYR 8 N 3.74 1.48 0.00 2.82 4.19 -0.23 -4.92 117.16 124.24 1brz n TYR 8 Ca 0.12 -2.17 0.00 0.00 3.31 0.00 0.00 57.90 59.16 1brz n TYR 8 Cb 0.40 -1.86 0.00 0.00 0.49 0.00 0.00 39.34 38.38 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 3.80 0.00 -0.01 2.98 1.02 -1.26 -1.46 120.64 125.71 1brz n GLU 9 Ca 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1brz n GLU 9 Cb 0.23 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.65 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 -1.24 0.06 -4.59 1.62 4.13 -1.26 -4.82 115.26 109.15 1brz n ASN 10 Ca 0.00 -1.85 -0.44 0.00 1.68 0.00 0.00 54.58 53.97 1brz n ASN 10 Cb 0.00 -0.36 -0.01 0.00 -1.54 0.00 0.00 39.78 37.88 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1brz n TYR 11 N 4.38 1.23 -1.55 3.10 9.36 -0.53 -4.70 117.16 128.45 1brz n TYR 11 Ca 0.01 0.66 -0.20 0.00 3.32 0.00 0.00 57.90 61.69 1brz n TYR 11 Cb 0.00 -2.24 -0.08 0.00 -0.63 0.00 0.00 39.34 36.39 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 0.60 0.59 -1.51 2.98 -0.04 -1.26 -4.82 135.00 131.53 1brz n PRO 12 Ca 0.09 -0.56 -0.44 0.00 -0.04 0.00 0.00 63.50 62.55 1brz n PRO 12 Cb 0.34 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1brz n VAL 13 N 8.26 0.11 0.00 0.52 0.31 -1.26 -4.20 118.33 122.07 1brz n VAL 13 Ca 0.48 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1brz n VAL 13 Cb 0.41 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 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 12.06 0.00 -4.75 4.52 3.41 -1.26 -5.13 113.62 122.47 1brz n SER 14 Ca 0.41 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.61 1brz n SER 14 Cb 0.34 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.00 4.30 0.15 4.33 -0.14 -1.26 -4.74 119.74 122.38 1brz s LYS 15 Ca 0.00 2.26 0.00 0.00 -1.36 0.00 0.00 55.97 56.87 1brz s LYS 15 Cb 0.00 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 33.05 1brz s LYS 15 CO 0.00 -0.35 0.00 0.00 -0.76 0.00 0.00 175.35 174.24 1brz n GLN 17 N -2.74 -0.02 0.00 0.00 1.13 -1.26 -3.51 117.38 110.97 1brz n GLN 17 Ca 0.00 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.61 1brz n GLN 17 Cb 0.00 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.34 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 -3.78 0.00 0.00 1.08 4.32 -1.26 -5.05 117.00 112.31 1brz n LEU 18 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.15 1brz n LEU 18 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1brz n LEU 18 CO 0.03 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.20 1brz n ALA 19 N -3.00 0.00 -1.00 -1.18 0.00 -1.23 -5.02 120.51 109.08 1brz n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1brz n ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.00 0.00 -0.11 0.00 4.05 -1.26 -0.03 115.26 117.91 1brz n ASN 20 Ca 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.00 1brz n ASN 20 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 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 -0.11 0.00 1.20 1.13 -1.26 0.39 117.38 118.73 1brz n GLN 21 Ca 0.00 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 1brz n GLN 21 Cb 0.00 -0.58 0.00 0.00 0.11 0.00 0.00 30.24 29.77 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 0.00 -1.11 -0.02 0.00 -0.00 0.64 -0.12 115.58 114.97 1brz h ASN 23 Ca 0.00 0.19 0.03 0.00 -0.00 0.00 0.00 56.30 56.52 1brz h ASN 23 Cb 0.00 0.51 -0.05 0.00 -0.00 0.00 0.00 38.32 38.77 1brz h ASN 23 CO 0.00 -0.33 -0.35 0.22 -0.00 0.00 0.00 177.43 176.97 1brz h TYR 24 N -0.29 -0.97 -0.18 0.67 3.20 -0.07 0.56 116.97 119.90 1brz h TYR 24 Ca 0.15 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1brz h TYR 24 Cb 0.55 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 39.18 1brz h TYR 24 CO -0.52 -0.44 -0.33 -0.44 -1.64 0.00 0.00 178.16 174.79 1brz h ASP 25 N -0.49 -1.05 -0.56 -2.11 3.32 0.12 -1.09 116.42 114.56 1brz h ASP 25 Ca 0.06 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.35 1brz h ASP 25 Cb 0.59 0.45 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 1brz h ASP 25 CO -0.29 -0.36 0.22 0.00 -1.72 0.00 0.00 179.24 177.09 1brz n LYS 27 N -4.97 0.07 0.00 0.00 4.81 0.16 -1.50 118.16 116.73 1brz n LYS 27 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1brz n LYS 27 Cb 0.23 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.27 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 -0.32 0.00 0.04 3.14 0.00 0.20 -4.62 117.00 115.43 1brz n LEU 28 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.08 1brz n LEU 28 Cb 0.00 0.27 0.29 0.00 0.00 0.00 0.00 43.42 43.99 1brz n LEU 28 CO 0.00 -0.27 0.71 0.47 0.00 0.00 0.00 177.39 178.29 1brz n ASP 29 N -2.07 0.17 0.00 1.96 8.00 1.28 -2.49 116.55 123.40 1brz n ASP 29 Ca 0.00 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1brz n ASP 29 Cb 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1brz n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1brz n LYS 30 N -1.70 0.00 -4.36 -1.24 4.76 -1.13 -4.96 118.16 109.53 1brz n LYS 30 Ca 0.02 -0.25 -0.35 0.00 -2.87 0.00 0.00 58.31 54.87 1brz n LYS 30 Cb 0.13 -0.46 -0.08 0.00 -1.84 0.00 0.00 35.03 32.78 1brz n LYS 30 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1brz n HIS 31 N 0.00 -1.29 -2.04 2.13 1.44 -0.90 -4.92 115.22 109.63 1brz n HIS 31 Ca 0.00 0.66 -0.10 0.00 -2.01 0.00 0.00 57.72 56.28 1brz n HIS 31 Cb 0.38 -2.58 0.06 0.00 0.12 0.00 0.00 29.99 27.97 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1brz n ALA 32 N -4.39 -0.14 0.03 1.59 0.00 -0.56 -4.92 120.51 112.12 1brz n ALA 32 Ca -0.15 -0.72 0.04 0.00 0.00 0.00 0.00 53.44 52.61 1brz n ALA 32 Cb 0.60 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.82 0.63 -1.59 0.00 3.00 0.27 -4.63 116.66 112.52 1brz n ARG 33 Ca 0.06 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1brz n ARG 33 Cb 0.22 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 30.96 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 -2.70 0.00 0.00 6.15 3.41 0.49 -4.98 113.62 115.99 1brz n SER 34 Ca -0.09 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1brz n SER 34 Cb 0.75 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 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 1.38 4.03 5.00 0.00 -1.26 0.27 105.19 114.62 1brz n GLY 35 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.65 0.04 -2.89 1.61 0.00 -0.26 -4.24 120.64 114.25 1brz n GLU 36 Ca 0.00 -0.56 -0.44 0.00 0.00 0.00 0.00 57.16 56.17 1brz n GLU 36 Cb 0.00 1.06 -0.02 0.00 0.00 0.00 0.00 31.44 32.48 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 2.78 3.52 0.67 0.00 0.40 0.33 -4.48 117.98 121.19 1brz s PHE 38 Ca 0.35 0.55 -0.08 0.00 -0.60 0.00 0.00 56.93 57.15 1brz s PHE 38 Cb -0.04 -2.06 0.03 0.00 0.51 0.00 0.00 43.02 41.46 1brz s PHE 38 CO -0.08 0.00 1.00 0.71 0.70 0.00 0.00 175.22 177.55 1brz s TYR 39 N -2.41 3.17 0.14 0.36 1.51 -1.25 0.89 117.35 119.76 1brz s TYR 39 Ca 0.43 0.72 0.01 0.00 -1.01 0.00 0.00 57.07 57.23 1brz s TYR 39 Cb -0.10 -3.00 -0.00 0.00 -0.11 0.00 0.00 41.96 38.75 1brz s TYR 39 CO 0.38 -1.13 0.04 -0.40 -1.11 0.00 0.00 175.55 173.33 1brz n ASP 40 N -2.84 1.22 0.00 2.29 5.75 -1.26 -4.86 116.55 116.85 1brz n ASP 40 Ca 0.06 -1.72 0.01 0.00 -0.01 0.00 0.00 54.79 53.13 1brz n ASP 40 Cb 0.58 0.31 0.06 0.00 -1.03 0.00 0.00 41.12 41.04 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 -0.32 0.08 -0.05 0.11 0.28 -1.26 -2.74 120.64 116.74 1brz n GLU 41 Ca -0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.93 1brz n GLU 41 Cb 0.20 -1.40 -0.01 0.00 1.43 0.00 0.00 31.44 31.66 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 -0.90 0.30 0.00 3.44 0.00 -1.26 -5.04 118.16 114.71 1brz n LYS 42 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 58.31 58.58 1brz n LYS 42 Cb 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 35.03 33.85 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1brz n ARG 43 N -3.70 0.00 0.00 1.64 3.00 -1.11 -5.15 116.66 111.35 1brz n ARG 43 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.77 1brz n ARG 43 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.71 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 0.00 0.00 -3.81 0.55 3.02 -1.26 -4.87 115.26 108.89 1brz n ASN 44 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1brz n ASN 44 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 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 1.16 -0.12 3.41 1.43 -1.26 -3.95 118.68 119.35 1brz s LEU 45 Ca 0.00 -0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1brz s LEU 45 Cb 0.00 0.99 0.04 0.00 0.03 0.00 0.00 46.19 47.24 1brz s LEU 45 CO 0.00 -0.39 0.32 -1.10 0.23 0.00 0.00 176.35 175.41 1brz s GLN 46 N -1.24 0.35 -0.94 1.70 1.11 0.26 -4.89 119.66 116.00 1brz s GLN 46 Ca -0.13 0.51 -0.25 0.00 0.01 0.00 0.00 55.36 55.50 1brz s GLN 46 Cb -0.06 0.10 -0.10 0.00 -1.01 0.00 0.00 33.01 31.94 1brz s GLN 46 CO 0.03 -0.08 2.09 0.00 0.01 0.00 0.00 175.29 177.33 1brz s ILE 48 N 12.31 4.95 -0.42 0.00 1.01 0.28 -1.06 121.20 138.26 1brz s ILE 48 Ca 0.77 1.43 -0.20 0.00 0.00 0.00 0.00 60.65 62.65 1brz s ILE 48 Cb -0.07 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1brz s ILE 48 CO 0.06 0.08 0.58 0.00 0.00 0.00 0.00 174.94 175.66 1brz s ASP 50 N 1.93 6.71 -0.26 0.00 1.11 0.14 -0.99 116.67 125.30 1brz s ASP 50 Ca 0.20 0.84 -0.01 0.00 0.18 0.00 0.00 52.55 53.76 1brz s ASP 50 Cb -0.15 -2.29 -0.16 0.00 1.07 0.00 0.00 42.92 41.39 1brz s ASP 50 CO 0.17 0.01 -0.26 -1.22 1.18 0.00 0.00 175.17 175.06 1brz n TYR 51 N 3.58 0.00 -2.12 4.23 4.02 -0.28 -0.38 117.16 126.21 1brz n TYR 51 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.46 1brz n TYR 51 Cb 0.52 -1.00 0.03 0.00 -0.02 0.00 0.00 39.34 38.86 1brz n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1brz s GLU 53 N -3.90 2.92 0.00 0.00 2.56 -1.26 -5.08 118.70 113.93 1brz s GLU 53 Ca 0.51 -0.31 0.00 0.00 0.00 0.00 0.00 54.97 55.17 1brz s GLU 53 Cb 0.42 -4.89 0.00 0.00 2.00 0.00 0.00 34.13 31.67 1brz s GLU 53 CO -0.34 -2.79 0.00 0.66 -0.56 0.00 0.00 175.26 172.23