#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 -2.71 0.00 0.11 4.81 -1.26 -4.97 118.16 114.14 1brz n LYS 3 Ca 0.00 2.26 0.00 0.00 -0.87 0.00 0.00 58.31 59.70 1brz n LYS 3 Cb 0.00 -3.45 0.00 0.00 0.02 0.00 0.00 35.03 31.60 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1brz s LYS 5 N 0.00 3.77 -0.27 0.00 1.02 -1.26 0.20 119.74 123.20 1brz s LYS 5 Ca 0.00 0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.15 1brz s LYS 5 Cb 0.00 -3.22 0.09 0.00 -0.52 0.00 0.00 37.83 34.18 1brz s LYS 5 CO 0.00 0.70 0.13 0.21 -0.92 0.00 0.00 175.35 175.47 1brz s LYS 6 N -0.98 0.17 0.20 1.68 2.36 0.04 -4.95 119.74 118.26 1brz s LYS 6 Ca 0.20 -0.43 -0.32 0.00 -2.55 0.00 0.00 55.97 52.88 1brz s LYS 6 Cb -0.15 -1.25 -0.11 0.00 -1.05 0.00 0.00 37.83 35.27 1brz s LYS 6 CO 0.10 -0.96 1.65 0.14 1.55 0.00 0.00 175.35 177.83 1brz s VAL 7 N 2.12 2.26 -0.95 4.02 -7.23 -1.26 -1.47 120.40 117.88 1brz s VAL 7 Ca 0.08 0.19 -0.17 0.00 -1.81 0.00 0.00 61.98 60.27 1brz s VAL 7 Cb -0.16 -3.12 -0.10 0.00 0.56 0.00 0.00 36.38 33.56 1brz s VAL 7 CO -0.32 0.02 2.06 0.00 -0.31 0.00 0.00 175.10 176.55 1brz n TYR 8 N 3.85 2.05 0.00 2.82 4.19 -0.47 -4.90 117.16 124.70 1brz n TYR 8 Ca 0.15 -2.09 0.00 0.00 3.31 0.00 0.00 57.90 59.27 1brz n TYR 8 Cb 0.37 -1.87 0.00 0.00 0.49 0.00 0.00 39.34 38.32 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 6.08 0.00 0.03 2.98 1.02 -1.26 -2.90 120.64 126.59 1brz n GLU 9 Ca 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.60 1brz n GLU 9 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.73 1brz n GLU 9 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1brz h ASN 10 N 0.00 -0.43 -0.12 1.62 7.08 -1.98 -3.44 115.58 118.31 1brz h ASN 10 Ca 0.00 0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.27 1brz h ASN 10 Cb 0.00 0.16 0.00 0.00 -2.08 0.00 0.00 38.32 36.40 1brz h ASN 10 CO 0.00 -0.15 0.00 0.00 -2.08 0.00 0.00 177.43 175.20 1brz n TYR 11 N -3.26 0.00 -0.02 4.14 9.36 -1.14 -4.67 117.16 121.56 1brz n TYR 11 Ca -0.02 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.19 1brz n TYR 11 Cb 0.11 -0.05 -0.01 0.00 -0.63 0.00 0.00 39.34 38.76 1brz n TYR 11 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1brz h PRO 12 N 0.00 -0.03 0.00 2.98 0.11 -1.95 -3.47 132.00 129.64 1brz h PRO 12 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1brz h PRO 12 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1brz h PRO 12 CO 0.00 -0.02 0.00 0.28 -0.21 0.00 0.00 178.00 178.05 1brz n VAL 13 N -2.97 0.00 0.31 3.15 0.31 -1.26 -5.00 118.33 112.86 1brz n VAL 13 Ca -0.00 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.52 1brz n VAL 13 Cb 0.03 0.00 1.02 0.00 -0.91 0.00 0.00 33.84 33.98 1brz n VAL 13 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1brz h SER 14 N 0.00 0.00 -2.71 4.52 4.64 -2.03 -3.44 113.55 114.53 1brz h SER 14 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1brz h SER 14 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 1brz h SER 14 CO 0.00 0.02 0.70 -0.75 -0.87 0.00 0.00 176.83 175.93 1brz s LYS 15 N -4.16 0.26 -0.33 4.77 2.47 -1.26 -5.09 119.74 116.41 1brz s LYS 15 Ca -0.04 0.28 0.04 0.00 -1.56 0.00 0.00 55.97 54.69 1brz s LYS 15 Cb 0.13 0.13 0.29 0.00 -1.46 0.00 0.00 37.83 36.92 1brz s LYS 15 CO 0.48 -0.04 1.36 0.00 0.16 0.00 0.00 175.35 177.31 1brz n GLN 17 N 0.34 0.81 -3.81 0.00 1.13 -1.26 -4.92 117.38 109.67 1brz n GLN 17 Ca -0.09 -0.10 -0.05 0.00 -1.94 0.00 0.00 57.00 54.82 1brz n GLN 17 Cb 0.74 -1.35 -0.01 0.00 0.11 0.00 0.00 30.24 29.73 1brz n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1brz s LEU 18 N -4.29 -0.20 -0.20 1.08 1.02 -1.26 -5.11 118.68 109.72 1brz s LEU 18 Ca -0.06 -0.53 -0.31 0.00 0.02 0.00 0.00 54.13 53.25 1brz s LEU 18 Cb 0.08 2.44 -0.08 0.00 0.02 0.00 0.00 46.19 48.65 1brz s LEU 18 CO 0.60 -1.14 2.13 0.00 0.02 0.00 0.00 176.35 177.96 1brz n ALA 19 N -0.47 1.44 -1.59 4.21 0.00 -1.26 -4.42 120.51 118.42 1brz n ALA 19 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1brz n ALA 19 Cb 0.60 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 9.89 0.00 -0.20 0.00 4.05 -1.26 -4.90 115.26 122.85 1brz n ASN 20 Ca 0.30 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 55.28 1brz n ASN 20 Cb 0.36 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.39 1brz n ASN 20 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1brz h GLN 21 N 0.00 -0.15 0.59 1.20 5.75 -1.88 0.81 115.11 121.43 1brz h GLN 21 Ca 0.00 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1brz h GLN 21 Cb 0.00 0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.59 1brz h GLN 21 CO 0.00 -0.10 -0.28 0.00 -2.65 0.00 0.00 178.83 175.80 1brz h ASN 23 N -0.81 -0.61 -0.70 0.00 -1.24 -1.52 0.59 115.58 111.28 1brz h ASN 23 Ca -0.08 0.06 0.15 0.00 0.71 0.00 0.00 56.30 57.14 1brz h ASN 23 Cb 0.61 0.21 -0.12 0.00 0.73 0.00 0.00 38.32 39.76 1brz h ASN 23 CO 0.13 -0.25 0.06 0.22 -1.29 0.00 0.00 177.43 176.30 1brz h TYR 24 N -0.36 0.05 0.29 0.67 3.20 0.56 0.42 116.97 121.79 1brz h TYR 24 Ca -0.01 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1brz h TYR 24 Cb 0.33 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1brz h TYR 24 CO -0.26 -0.17 -0.41 -0.44 -1.64 0.00 0.00 178.16 175.25 1brz h ASP 25 N 0.15 -1.16 -0.93 -2.11 3.32 -0.41 -1.89 116.42 113.40 1brz h ASP 25 Ca 0.38 0.10 0.12 0.00 0.02 0.00 0.00 57.03 57.65 1brz h ASP 25 Cb 0.65 0.40 -0.08 0.00 0.22 0.00 0.00 39.33 40.52 1brz h ASP 25 CO -0.57 -0.50 0.56 0.00 -1.72 0.00 0.00 179.24 177.02 1brz n LYS 27 N -4.69 0.02 0.00 0.00 3.00 0.14 -0.52 118.16 116.11 1brz n LYS 27 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1brz n LYS 27 Cb 0.35 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.14 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 -0.74 0.00 0.03 3.14 7.94 0.49 -4.58 117.00 123.29 1brz n LEU 28 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1brz n LEU 28 Cb 0.00 0.30 0.25 0.00 0.53 0.00 0.00 43.42 44.50 1brz n LEU 28 CO 0.00 -0.30 0.68 0.47 -1.11 0.00 0.00 177.39 177.13 1brz n ASP 29 N -2.11 0.13 0.00 1.96 8.00 1.16 -2.33 116.55 123.36 1brz n ASP 29 Ca 0.00 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1brz n ASP 29 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1brz n ASP 29 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1brz n LYS 30 N -1.65 0.00 -3.84 -1.24 3.00 -1.13 -4.95 118.16 108.36 1brz n LYS 30 Ca 0.02 -0.41 -0.30 0.00 -0.00 0.00 0.00 58.31 57.62 1brz n LYS 30 Cb 0.11 -0.42 -0.07 0.00 0.00 0.00 0.00 35.03 34.66 1brz n LYS 30 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1brz n HIS 31 N 0.00 -0.91 -1.46 5.64 1.44 -0.62 -4.88 115.22 114.42 1brz n HIS 31 Ca 0.00 0.51 0.00 0.00 -2.01 0.00 0.00 57.72 56.22 1brz n HIS 31 Cb 0.49 -1.64 0.00 0.00 0.12 0.00 0.00 29.99 28.97 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 -3.37 0.00 -0.08 1.59 0.00 0.32 -4.91 120.51 114.06 1brz n ALA 32 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1brz n ALA 32 Cb 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.62 0.68 0.00 0.00 0.00 0.11 -4.60 116.66 112.23 1brz n ARG 33 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1brz n ARG 33 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 30.86 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 -3.04 0.00 0.00 6.15 3.41 0.01 -4.92 113.62 115.24 1brz n SER 34 Ca -0.33 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 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 -0.14 3.83 5.00 0.00 -1.25 0.23 105.19 112.86 1brz n GLY 35 Ca 0.00 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.50 1brz n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1brz s GLU 36 N -1.65 0.26 0.21 1.61 1.03 0.26 -4.37 118.70 116.05 1brz s GLU 36 Ca 0.00 -0.16 -0.10 0.00 0.03 0.00 0.00 54.97 54.74 1brz s GLU 36 Cb 0.00 0.08 -0.07 0.00 -0.80 0.00 0.00 34.13 33.34 1brz s GLU 36 CO 0.00 -0.12 0.54 0.00 -1.33 0.00 0.00 175.26 174.35 1brz s PHE 38 N -1.73 -0.13 0.49 0.00 0.08 -0.24 -4.89 117.98 111.57 1brz s PHE 38 Ca 0.45 0.26 -0.19 0.00 0.12 0.00 0.00 56.93 57.57 1brz s PHE 38 Cb -0.12 0.04 -0.08 0.00 -0.57 0.00 0.00 43.02 42.29 1brz s PHE 38 CO 0.21 -0.25 1.01 0.71 -0.10 0.00 0.00 175.22 176.80 1brz s TYR 39 N -0.78 3.14 0.59 0.36 1.51 -1.26 -0.78 117.35 120.13 1brz s TYR 39 Ca -0.09 1.56 0.09 0.00 -1.01 0.00 0.00 57.07 57.62 1brz s TYR 39 Cb -0.05 -2.96 0.09 0.00 -0.11 0.00 0.00 41.96 38.93 1brz s TYR 39 CO 0.02 -0.63 0.77 -0.40 -1.11 0.00 0.00 175.55 174.20 1brz n ASP 40 N -1.15 2.24 0.00 2.29 5.75 -0.20 -4.93 116.55 120.55 1brz n ASP 40 Ca 0.08 -2.62 0.03 0.00 -0.01 0.00 0.00 54.79 52.28 1brz n ASP 40 Cb 0.53 -0.38 0.16 0.00 -1.03 0.00 0.00 41.12 40.40 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 -2.23 0.05 0.00 0.11 1.02 -1.26 -3.82 120.64 114.51 1brz n GLU 41 Ca 0.14 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1brz n GLU 41 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1brz n GLU 41 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1brz n LYS 42 N -1.39 0.00 0.00 3.49 4.81 -1.26 -5.04 118.16 118.76 1brz n LYS 42 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1brz n LYS 42 Cb 0.07 -0.09 0.00 0.00 0.02 0.00 0.00 35.03 35.03 1brz n LYS 42 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1brz n ARG 43 N -1.26 0.00 -4.46 1.64 3.00 -1.25 -5.16 116.66 109.16 1brz n ARG 43 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 1brz n ARG 43 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.32 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 0.00 1.81 0.20 6.15 -0.87 -1.26 -4.93 114.94 116.04 1brz s ASN 44 Ca 0.00 -0.43 -0.11 0.00 -1.57 0.00 0.00 52.86 50.74 1brz s ASN 44 Cb 0.00 -0.14 -0.07 0.00 -0.02 0.00 0.00 41.25 41.02 1brz s ASN 44 CO 0.00 0.08 0.54 -1.48 -2.57 0.00 0.00 177.10 173.68 1brz s LEU 45 N -1.00 4.23 0.00 0.60 2.34 -1.26 -1.04 118.68 122.56 1brz s LEU 45 Ca 0.03 0.97 -0.03 0.00 0.06 0.00 0.00 54.13 55.17 1brz s LEU 45 Cb -0.08 -3.52 -0.01 0.00 -0.56 0.00 0.00 46.19 42.03 1brz s LEU 45 CO 0.01 -0.00 0.04 -1.10 -1.06 0.00 0.00 176.35 174.24 1brz s GLN 46 N -2.49 0.30 0.38 1.48 -0.21 0.04 -4.88 119.66 114.28 1brz s GLN 46 Ca 0.44 -0.38 -0.26 0.00 0.02 0.00 0.00 55.36 55.18 1brz s GLN 46 Cb -0.13 0.12 -0.09 0.00 1.00 0.00 0.00 33.01 33.91 1brz s GLN 46 CO 0.20 -0.06 1.17 0.00 -2.12 0.00 0.00 175.29 174.48 1brz s ILE 48 N -1.37 0.33 -0.19 0.00 1.09 0.12 -1.37 121.20 119.81 1brz s ILE 48 Ca 0.55 -0.13 -0.18 0.00 -1.10 0.00 0.00 60.65 59.78 1brz s ILE 48 Cb -0.31 -0.68 -0.03 0.00 -1.06 0.00 0.00 42.46 40.37 1brz s ILE 48 CO 0.40 0.02 0.51 0.00 -0.10 0.00 0.00 174.94 175.77 1brz s ASP 50 N 1.10 6.57 0.00 0.00 -1.08 0.14 -0.78 116.67 122.61 1brz s ASP 50 Ca 0.24 0.67 0.18 0.00 -0.52 0.00 0.00 52.55 53.12 1brz s ASP 50 Cb -0.15 -2.26 0.04 0.00 -1.46 0.00 0.00 42.92 39.08 1brz s ASP 50 CO 0.10 -0.04 0.96 -1.22 0.52 0.00 0.00 175.17 175.48 1brz n TYR 51 N 4.08 0.00 0.00 -5.34 4.02 0.13 0.05 117.16 120.10 1brz n TYR 51 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1brz n TYR 51 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 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 -0.07 0.00 0.00 -1.26 -4.90 120.64 114.41 1brz n GLU 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1brz n GLU 53 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79