#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 1.10 -0.35 0.11 1.02 -1.26 -5.01 119.74 115.35 1brz s LYS 3 Ca 0.00 0.94 0.14 0.00 0.02 0.00 0.00 55.97 57.07 1brz s LYS 3 Cb 0.00 -1.78 0.43 0.00 -0.52 0.00 0.00 37.83 35.96 1brz s LYS 3 CO 0.00 -2.38 1.28 0.00 -0.92 0.00 0.00 175.35 173.33 1brz s LYS 5 N -1.14 0.27 -0.15 0.00 0.00 -1.26 -0.62 119.74 116.84 1brz s LYS 5 Ca 0.20 0.37 -0.04 0.00 0.00 0.00 0.00 55.97 56.50 1brz s LYS 5 Cb 0.41 0.09 0.07 0.00 0.00 0.00 0.00 37.83 38.41 1brz s LYS 5 CO -0.06 -0.06 0.18 0.15 0.00 0.00 0.00 175.35 175.56 1brz s LYS 6 N 0.32 0.10 0.10 1.78 -0.14 -0.37 -5.00 119.74 116.53 1brz s LYS 6 Ca -0.02 0.34 -0.31 0.00 -1.36 0.00 0.00 55.97 54.62 1brz s LYS 6 Cb -0.03 -0.85 -0.08 0.00 -1.68 0.00 0.00 37.83 35.18 1brz s LYS 6 CO -0.01 -0.50 1.53 0.14 -0.76 0.00 0.00 175.35 175.75 1brz s VAL 7 N 2.29 3.07 -1.25 3.17 -7.23 -1.26 -1.43 120.40 117.75 1brz s VAL 7 Ca 0.04 0.67 -0.16 0.00 -1.81 0.00 0.00 61.98 60.73 1brz s VAL 7 Cb -0.14 -3.43 0.12 0.00 0.56 0.00 0.00 36.38 33.49 1brz s VAL 7 CO -0.09 0.03 1.58 -0.47 -0.31 0.00 0.00 175.10 175.84 1brz s TYR 8 N 1.76 3.17 0.00 2.82 6.14 0.15 -4.83 117.35 126.56 1brz s TYR 8 Ca 0.69 -1.90 0.00 0.00 0.64 0.00 0.00 57.07 56.50 1brz s TYR 8 Cb -0.39 -4.52 0.00 0.00 0.42 0.00 0.00 41.96 37.47 1brz s TYR 8 CO 0.31 -1.59 0.98 -0.85 0.64 0.00 0.00 175.55 175.04 1brz n GLU 9 N 6.92 0.00 -1.46 4.97 0.28 -1.26 -4.07 120.64 126.02 1brz n GLU 9 Ca 0.42 0.55 -0.13 0.00 -0.16 0.00 0.00 57.16 57.84 1brz n GLU 9 Cb 0.44 -1.48 -0.11 0.00 1.43 0.00 0.00 31.44 31.72 1brz n GLU 9 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1brz n ASN 10 N -2.08 0.29 -3.03 -1.84 2.85 -1.26 -4.59 115.26 105.60 1brz n ASN 10 Ca 0.00 -1.48 0.05 0.00 -0.11 0.00 0.00 54.58 53.04 1brz n ASN 10 Cb 0.00 -1.24 0.00 0.00 1.24 0.00 0.00 39.78 39.79 1brz n ASN 10 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1brz s TYR 11 N 9.51 -0.20 -0.18 1.20 6.14 -1.26 -5.07 117.35 127.49 1brz s TYR 11 Ca 0.86 0.10 -0.09 0.00 0.64 0.00 0.00 57.07 58.58 1brz s TYR 11 Cb -0.27 0.04 -0.09 0.00 0.42 0.00 0.00 41.96 42.06 1brz s TYR 11 CO 0.21 -0.12 1.11 -2.30 0.64 0.00 0.00 175.55 175.09 1brz n PRO 12 N 4.66 0.02 0.00 4.97 -0.02 -1.26 -4.71 135.00 138.66 1brz n PRO 12 Ca 0.09 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 1brz n PRO 12 Cb 0.60 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 5.30 0.00 0.00 -1.45 0.31 -1.26 -4.15 118.33 117.08 1brz n VAL 13 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1brz n VAL 13 Cb 0.41 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 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 -1.37 0.00 -4.76 4.52 3.41 -1.26 -4.27 113.62 109.88 1brz n SER 14 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1brz n SER 14 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 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 2.54 0.00 4.33 3.01 -1.26 -4.87 119.74 123.49 1brz s LYS 15 Ca 0.00 1.36 0.00 0.00 -1.01 0.00 0.00 55.97 56.32 1brz s LYS 15 Cb 0.00 -1.92 0.00 0.00 -1.01 0.00 0.00 37.83 34.90 1brz s LYS 15 CO 0.00 -1.45 0.00 0.00 0.51 0.00 0.00 175.35 174.41 1brz n GLN 17 N -0.69 2.32 -3.15 0.00 3.00 -1.26 -4.51 117.38 113.08 1brz n GLN 17 Ca 0.00 -1.23 0.03 0.00 -0.01 0.00 0.00 57.00 55.79 1brz n GLN 17 Cb 0.00 -2.16 -0.00 0.00 0.00 0.00 0.00 30.24 28.08 1brz n GLN 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1brz s LEU 18 N 0.03 -1.45 -0.68 1.08 1.43 -1.26 -5.07 118.68 112.77 1brz s LEU 18 Ca 0.67 -0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.41 1brz s LEU 18 Cb 0.29 1.88 -0.18 0.00 0.03 0.00 0.00 46.19 48.20 1brz s LEU 18 CO -0.01 -0.23 1.73 0.00 0.23 0.00 0.00 176.35 178.07 1brz n ALA 19 N 4.98 0.31 -0.91 4.21 0.00 -1.26 -3.55 120.51 124.29 1brz n ALA 19 Ca 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.62 1brz n ALA 19 Cb 0.56 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1brz n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1brz n ASN 20 N 14.56 0.00 0.00 0.00 4.13 -1.26 -4.76 115.26 127.93 1brz n ASN 20 Ca 0.30 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.56 1brz n ASN 20 Cb 0.47 0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1brz n GLN 21 N -1.07 0.00 0.09 3.52 3.00 -1.23 0.31 117.38 121.99 1brz n GLN 21 Ca 0.00 0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 1brz n GLN 21 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 30.24 30.09 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1brz n ASN 23 N -5.27 0.00 -0.05 0.00 4.05 -0.09 -0.21 115.26 113.70 1brz n ASN 23 Ca -0.07 0.74 -0.12 0.00 0.45 0.00 0.00 54.58 55.59 1brz n ASN 23 Cb 0.19 -0.24 -0.06 0.00 1.23 0.00 0.00 39.78 40.90 1brz n ASN 23 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1brz h TYR 24 N 0.00 -1.24 0.00 1.20 3.20 0.47 0.07 116.97 120.67 1brz h TYR 24 Ca 0.00 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1brz h TYR 24 Cb 0.00 0.57 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 1brz h TYR 24 CO -0.06 -0.47 -0.38 -0.44 -1.64 0.00 0.00 178.16 175.18 1brz h ASP 25 N -0.44 -1.13 -0.32 -2.11 3.32 -1.00 -2.24 116.42 112.51 1brz h ASP 25 Ca 0.09 0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.36 1brz h ASP 25 Cb 0.61 0.45 -0.08 0.00 0.22 0.00 0.00 39.33 40.53 1brz h ASP 25 CO -0.46 -0.43 -0.25 0.00 -1.72 0.00 0.00 179.24 176.38 1brz n LYS 27 N -5.39 0.10 0.00 0.00 4.81 -0.02 -1.31 118.16 116.35 1brz n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1brz n LYS 27 Cb 0.30 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.31 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 0.23 0.00 -0.19 3.14 0.00 0.70 -4.56 117.00 116.32 1brz n LEU 28 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.91 1brz n LEU 28 Cb 0.02 0.03 0.01 0.00 0.00 0.00 0.00 43.42 43.48 1brz n LEU 28 CO 0.00 -0.03 0.74 0.44 0.00 0.00 0.00 177.39 178.54 1brz h ASP 29 N 0.00 1.04 -0.24 1.96 5.19 0.75 -3.11 116.42 122.02 1brz h ASP 29 Ca 0.00 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1brz h ASP 29 Cb 0.00 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.23 1brz h ASP 29 CO 0.00 1.15 0.00 0.29 -3.12 0.00 0.00 179.24 177.56 1brz n LYS 30 N -4.15 2.74 -3.89 3.56 5.02 -1.18 -4.97 118.16 115.29 1brz n LYS 30 Ca 0.01 -2.41 -0.28 0.00 -2.02 0.00 0.00 58.31 53.62 1brz n LYS 30 Cb 0.40 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 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 -0.24 -2.04 -0.49 2.13 8.25 -1.18 -4.98 115.22 116.68 1brz n HIS 31 Ca 0.15 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.47 1brz n HIS 31 Cb 0.64 -3.95 0.00 0.00 1.12 0.00 0.00 29.99 27.80 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 -4.50 0.00 -0.83 -1.41 0.00 -0.43 -4.90 120.51 108.45 1brz n ALA 32 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1brz n ALA 32 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1brz n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1brz n ARG 33 N 0.00 0.00 -3.95 0.00 1.74 0.04 -4.66 116.66 109.82 1brz n ARG 33 Ca 0.00 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1brz n ARG 33 Cb 0.00 -0.31 0.01 0.00 -1.02 0.00 0.00 32.46 31.15 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1brz n SER 34 N 0.00 -1.29 0.00 0.55 3.41 0.23 -4.93 113.62 111.59 1brz n SER 34 Ca 0.00 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1brz n SER 34 Cb 0.18 2.02 0.00 0.00 -0.26 0.00 0.00 64.21 66.15 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 -0.88 2.49 3.80 5.00 0.00 -1.26 0.89 105.19 115.24 1brz n GLY 35 Ca 0.03 -1.16 0.04 0.00 0.00 0.00 0.00 46.02 44.93 1brz n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1brz s GLU 36 N -2.03 0.15 0.01 1.61 2.12 0.05 -3.97 118.70 116.64 1brz s GLU 36 Ca 0.00 -0.09 -0.23 0.00 0.36 0.00 0.00 54.97 55.01 1brz s GLU 36 Cb 0.00 0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.39 1brz s GLU 36 CO 0.00 -0.07 0.69 0.00 -0.54 0.00 0.00 175.26 175.34 1brz s PHE 38 N 0.05 -0.00 1.08 0.00 0.08 -0.36 -4.87 117.98 113.96 1brz s PHE 38 Ca 0.36 -0.03 -0.18 0.00 0.12 0.00 0.00 56.93 57.19 1brz s PHE 38 Cb -0.19 -0.03 0.26 0.00 -0.57 0.00 0.00 43.02 42.49 1brz s PHE 38 CO 0.20 -0.27 1.22 0.66 -0.10 0.00 0.00 175.22 176.93 1brz n TYR 39 N 1.65 -3.95 -3.92 0.36 4.02 -1.26 -0.12 117.16 113.93 1brz n TYR 39 Ca -0.21 -1.09 -0.12 0.00 -0.01 0.00 0.00 57.90 56.47 1brz n TYR 39 Cb 0.56 -1.07 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 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 -4.30 -1.89 0.00 7.72 5.75 -1.03 -4.81 116.55 117.98 1brz n ASP 40 Ca 0.16 -2.75 0.01 0.00 -0.01 0.00 0.00 54.79 52.20 1brz n ASP 40 Cb 0.58 3.28 0.06 0.00 -1.03 0.00 0.00 41.12 44.01 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 -0.56 0.07 -0.00 0.11 -0.00 -1.26 -0.09 120.64 118.91 1brz n GLU 41 Ca -0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.16 57.21 1brz n GLU 41 Cb 0.60 -1.47 -0.12 0.00 -0.00 0.00 0.00 31.44 30.45 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1brz n LYS 42 N -0.97 0.72 -0.40 3.44 5.02 -1.26 -4.96 118.16 119.75 1brz n LYS 42 Ca 0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1brz n LYS 42 Cb 0.01 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1brz n LYS 42 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1brz n ARG 43 N -1.64 0.00 -3.57 1.97 0.63 0.87 -5.02 116.66 109.90 1brz n ARG 43 Ca 0.02 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.68 1brz n ARG 43 Cb 0.35 -1.66 -0.03 0.00 0.45 0.00 0.00 32.46 31.57 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1brz s ASN 44 N -3.36 6.37 0.35 6.15 -0.87 -1.26 -4.77 114.94 117.56 1brz s ASN 44 Ca 0.00 0.45 -0.04 0.00 -1.57 0.00 0.00 52.86 51.70 1brz s ASN 44 Cb 0.00 -2.03 -0.04 0.00 -0.02 0.00 0.00 41.25 39.16 1brz s ASN 44 CO 0.00 -0.13 0.62 -0.76 -2.57 0.00 0.00 177.10 174.26 1brz s LEU 45 N -3.63 3.94 -0.05 0.60 1.02 -1.26 -2.45 118.68 116.84 1brz s LEU 45 Ca 0.40 0.71 -0.08 0.00 0.02 0.00 0.00 54.13 55.17 1brz s LEU 45 Cb -0.10 -3.57 0.02 0.00 0.02 0.00 0.00 46.19 42.55 1brz s LEU 45 CO 0.31 -0.32 0.20 -1.10 0.02 0.00 0.00 176.35 175.46 1brz s GLN 46 N -4.05 0.36 -0.79 1.70 -0.21 0.82 -4.78 119.66 112.71 1brz s GLN 46 Ca 0.44 0.06 -0.26 0.00 0.02 0.00 0.00 55.36 55.62 1brz s GLN 46 Cb -0.10 0.16 0.03 0.00 1.00 0.00 0.00 33.01 34.10 1brz s GLN 46 CO 0.35 -0.07 1.35 0.00 -2.12 0.00 0.00 175.29 174.80 1brz s ILE 48 N 5.82 5.00 -0.39 0.00 1.01 0.76 0.31 121.20 133.72 1brz s ILE 48 Ca 0.39 1.39 -0.15 0.00 0.00 0.00 0.00 60.65 62.28 1brz s ILE 48 Cb -0.07 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1brz s ILE 48 CO 0.10 0.15 0.33 0.00 0.00 0.00 0.00 174.94 175.52 1brz s ASP 50 N 1.73 6.52 -0.19 0.00 1.11 0.26 -1.24 116.67 124.85 1brz s ASP 50 Ca 0.08 0.61 0.05 0.00 0.18 0.00 0.00 52.55 53.48 1brz s ASP 50 Cb -0.18 -2.20 -0.16 0.00 1.07 0.00 0.00 42.92 41.45 1brz s ASP 50 CO 0.11 0.12 -0.11 -1.22 1.18 0.00 0.00 175.17 175.25 1brz n TYR 51 N 3.32 0.00 -0.17 4.23 4.02 0.21 0.76 117.16 129.54 1brz n TYR 51 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1brz n TYR 51 Cb 0.52 -0.80 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 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 0.00 0.00 0.00 0.00 4.07 -1.25 -5.05 120.64 118.40 1brz n GLU 53 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1brz n GLU 53 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73