#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 1.27 -1.53 -1.24 4.76 -1.07 -4.59 118.16 115.76 1brz n LYS 3 Ca 0.00 -3.04 -0.08 0.00 -2.87 0.00 0.00 58.31 52.33 1brz n LYS 3 Cb 0.00 -1.11 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1brz s LYS 5 N -3.24 3.98 -0.15 0.00 0.00 -1.26 -0.84 119.74 118.23 1brz s LYS 5 Ca 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 55.97 56.27 1brz s LYS 5 Cb 0.00 -3.27 0.07 0.00 0.00 0.00 0.00 37.83 34.63 1brz s LYS 5 CO 0.00 0.58 0.33 0.15 0.00 0.00 0.00 175.35 176.42 1brz s LYS 6 N -0.71 0.25 0.43 1.78 1.02 -0.15 -5.00 119.74 117.35 1brz s LYS 6 Ca 0.23 0.82 -0.26 0.00 0.02 0.00 0.00 55.97 56.78 1brz s LYS 6 Cb -0.16 0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 37.14 1brz s LYS 6 CO 0.12 -0.24 1.37 0.14 -0.92 0.00 0.00 175.35 175.82 1brz s VAL 7 N 2.15 2.34 -0.65 3.17 -7.23 -1.26 -0.97 120.40 117.95 1brz s VAL 7 Ca -0.03 0.30 -0.27 0.00 -1.81 0.00 0.00 61.98 60.18 1brz s VAL 7 Cb -0.11 -3.18 0.03 0.00 0.56 0.00 0.00 36.38 33.68 1brz s VAL 7 CO -0.11 0.04 1.19 -0.47 -0.31 0.00 0.00 175.10 175.44 1brz s TYR 8 N -1.23 2.50 1.16 2.82 6.14 0.11 -4.83 117.35 124.02 1brz s TYR 8 Ca 0.59 0.11 -0.13 0.00 0.64 0.00 0.00 57.07 58.28 1brz s TYR 8 Cb -0.41 -4.50 0.27 0.00 0.42 0.00 0.00 41.96 37.74 1brz s TYR 8 CO 0.53 -1.77 0.98 0.39 0.64 0.00 0.00 175.55 176.32 1brz n GLU 9 N 8.67 -2.29 0.00 4.97 -0.58 -1.26 -4.47 120.64 125.68 1brz n GLU 9 Ca 0.05 -0.64 0.00 0.00 -0.42 0.00 0.00 57.16 56.15 1brz n GLU 9 Cb 0.49 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1brz n GLU 9 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1brz n ASN 10 N -4.76 0.00 -3.64 1.62 0.23 -1.26 -4.96 115.26 102.49 1brz n ASN 10 Ca 0.04 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.06 1brz n ASN 10 Cb 0.54 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.18 1brz n ASN 10 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1brz s TYR 11 N 0.00 -0.08 -0.14 -2.53 6.14 -1.26 -5.06 117.35 114.42 1brz s TYR 11 Ca 0.00 0.17 -0.01 0.00 0.64 0.00 0.00 57.07 57.87 1brz s TYR 11 Cb 0.00 0.48 -0.05 0.00 0.42 0.00 0.00 41.96 42.82 1brz s TYR 11 CO 0.00 -0.05 0.61 -2.30 0.64 0.00 0.00 175.55 174.45 1brz n PRO 12 N 1.25 0.00 -0.35 4.97 -0.02 -1.26 -4.68 135.00 134.91 1brz n PRO 12 Ca -0.07 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.42 1brz n PRO 12 Cb 0.57 -0.45 0.18 0.00 -0.02 0.00 0.00 33.50 33.78 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 3.14 1.14 -0.74 -1.45 3.04 -1.98 -2.11 116.25 117.29 1brz h VAL 13 Ca 0.01 -0.41 -0.05 0.00 -1.01 0.00 0.00 66.70 65.24 1brz h VAL 13 Cb 0.47 -0.15 -0.03 0.00 -2.01 0.00 0.00 31.29 29.56 1brz h VAL 13 CO 0.54 0.22 0.29 0.77 -1.01 0.00 0.00 177.57 178.37 1brz h SER 14 N 1.19 1.03 -0.71 3.17 4.64 -1.83 -3.39 113.55 117.63 1brz h SER 14 Ca 0.39 -0.16 -0.21 0.00 -0.47 0.00 0.00 61.79 61.35 1brz h SER 14 Cb 0.06 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 1brz h SER 14 CO -0.13 0.92 0.55 -0.75 -0.87 0.00 0.00 176.83 176.55 1brz s LYS 15 N -5.49 2.16 -0.30 4.77 2.47 -0.79 -4.77 119.74 117.78 1brz s LYS 15 Ca -0.12 0.17 -0.13 0.00 -1.56 0.00 0.00 55.97 54.33 1brz s LYS 15 Cb 0.16 -4.88 0.18 0.00 -1.46 0.00 0.00 37.83 31.82 1brz s LYS 15 CO 0.83 -3.75 1.04 0.00 0.16 0.00 0.00 175.35 173.63 1brz n GLN 17 N 5.35 2.48 -3.84 0.00 6.02 -1.26 -5.09 117.38 121.04 1brz n GLN 17 Ca -0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.88 1brz n GLN 17 Cb 0.54 -0.27 0.01 0.00 1.02 0.00 0.00 30.24 31.54 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 -0.24 -0.04 -0.42 1.08 1.43 -1.26 -5.10 118.68 114.12 1brz s LEU 18 Ca 0.00 -0.70 -0.27 0.00 -1.03 0.00 0.00 54.13 52.12 1brz s LEU 18 Cb 0.00 2.26 -0.07 0.00 0.03 0.00 0.00 46.19 48.40 1brz s LEU 18 CO 0.00 -1.11 2.36 0.00 0.23 0.00 0.00 176.35 177.83 1brz n ALA 19 N -0.61 1.08 0.00 4.21 0.00 -1.26 -4.21 120.51 119.71 1brz n ALA 19 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1brz n ALA 19 Cb 0.60 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1brz n ALA 19 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1brz n ASN 20 N 14.22 0.00 0.00 0.00 6.94 -1.26 -4.90 115.26 130.26 1brz n ASN 20 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.92 1brz n ASN 20 Cb 0.48 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1brz n GLN 21 N 0.00 0.00 0.07 -3.83 -0.00 -1.26 0.29 117.38 112.65 1brz n GLN 21 Ca 0.00 0.08 -0.13 0.00 -0.00 0.00 0.00 57.00 56.95 1brz n GLN 21 Cb 0.00 -0.27 -0.06 0.00 -0.00 0.00 0.00 30.24 29.91 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 -5.44 0.00 -0.30 0.00 4.05 -0.55 -0.56 115.26 112.45 1brz n ASN 23 Ca -0.06 0.76 0.11 0.00 0.45 0.00 0.00 54.58 55.84 1brz n ASN 23 Cb 0.36 -0.26 0.27 0.00 1.23 0.00 0.00 39.78 41.38 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 0.72 0.19 1.20 3.20 0.42 0.13 116.97 122.84 1brz h TYR 24 Ca 0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1brz h TYR 24 Cb 0.00 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1brz h TYR 24 CO -0.21 0.06 -0.18 -0.44 -1.64 0.00 0.00 178.16 175.74 1brz h ASP 25 N 0.51 -0.50 -1.00 -2.11 3.32 0.15 -2.25 116.42 114.55 1brz h ASP 25 Ca 0.52 0.04 0.16 0.00 0.02 0.00 0.00 57.03 57.77 1brz h ASP 25 Cb 0.89 0.16 -0.10 0.00 0.22 0.00 0.00 39.33 40.51 1brz h ASP 25 CO -0.45 -0.24 0.62 0.00 -1.72 0.00 0.00 179.24 177.44 1brz n LYS 27 N -4.69 0.00 0.00 0.00 3.00 0.44 0.16 118.16 117.06 1brz n LYS 27 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1brz n LYS 27 Cb 0.49 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.17 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 -0.78 0.00 0.06 3.14 7.94 0.84 -4.76 117.00 123.44 1brz n LEU 28 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1brz n LEU 28 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1brz n LEU 28 CO 0.00 0.00 0.65 0.44 -1.11 0.00 0.00 177.39 177.37 1brz h ASP 29 N 0.00 -0.12 -0.34 1.96 5.19 0.65 -3.25 116.42 120.50 1brz h ASP 29 Ca 0.00 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1brz h ASP 29 Cb 0.00 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1brz h ASP 29 CO 0.00 0.22 0.00 0.29 -3.12 0.00 0.00 179.24 176.63 1brz n LYS 30 N -5.00 2.28 -4.02 3.56 4.76 -1.20 -4.98 118.16 113.57 1brz n LYS 30 Ca -0.09 -2.03 -0.27 0.00 -2.87 0.00 0.00 58.31 53.05 1brz n LYS 30 Cb 0.21 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 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 0.99 -1.60 0.00 2.13 1.44 -0.07 -4.96 115.22 113.14 1brz n HIS 31 Ca 0.15 0.73 0.00 0.00 -2.01 0.00 0.00 57.72 56.59 1brz n HIS 31 Cb 0.48 -3.57 0.00 0.00 0.12 0.00 0.00 29.99 27.02 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 -4.42 0.00 0.00 1.59 0.00 0.12 -4.94 120.51 112.86 1brz n ALA 32 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1brz n ALA 32 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 0.00 0.00 -0.38 0.00 0.00 0.35 -4.83 116.66 111.80 1brz n ARG 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1brz n ARG 33 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 32.46 32.11 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 -1.79 0.00 0.00 6.15 3.41 -0.11 -4.80 113.62 116.49 1brz n SER 34 Ca 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1brz n SER 34 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.29 3.62 5.00 0.00 -1.25 0.08 105.19 112.92 1brz n GLY 35 Ca 0.00 -1.10 0.01 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 -2.00 0.38 0.23 1.61 2.12 -0.10 -4.04 118.70 116.91 1brz s GLU 36 Ca 0.00 -0.20 -0.15 0.00 0.36 0.00 0.00 54.97 54.98 1brz s GLU 36 Cb 0.00 0.13 -0.08 0.00 0.26 0.00 0.00 34.13 34.45 1brz s GLU 36 CO 0.00 -0.17 0.64 0.00 -0.54 0.00 0.00 175.26 175.19 1brz s PHE 38 N -1.71 -0.34 0.34 0.00 0.40 -0.13 -4.92 117.98 111.62 1brz s PHE 38 Ca 0.46 0.80 -0.06 0.00 -0.60 0.00 0.00 56.93 57.54 1brz s PHE 38 Cb -0.13 0.07 0.08 0.00 0.51 0.00 0.00 43.02 43.55 1brz s PHE 38 CO 0.19 -0.23 0.36 0.66 0.70 0.00 0.00 175.22 176.91 1brz n TYR 39 N 4.05 -3.57 -3.27 0.36 4.01 -1.26 -0.98 117.16 116.50 1brz n TYR 39 Ca -0.23 -0.32 -0.01 0.00 -0.16 0.00 0.00 57.90 57.18 1brz n TYR 39 Cb 0.54 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1brz n TYR 39 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1brz n ASP 40 N -3.43 -0.31 0.33 7.72 5.68 -1.26 -4.80 116.55 120.48 1brz n ASP 40 Ca 0.05 -1.20 0.22 0.00 -0.50 0.00 0.00 54.79 53.36 1brz n ASP 40 Cb 0.17 0.51 1.12 0.00 -1.14 0.00 0.00 41.12 41.78 1brz n ASP 40 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1brz h GLU 41 N 0.00 0.00 -0.96 0.11 5.08 -1.99 -1.38 114.58 115.44 1brz h GLU 41 Ca -0.05 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.85 1brz h GLU 41 Cb 0.18 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.16 1brz h GLU 41 CO 0.06 0.00 0.58 1.63 -1.00 0.00 0.00 179.01 180.28 1brz n LYS 42 N -3.08 2.45 -2.87 2.33 4.76 -1.26 -4.90 118.16 115.59 1brz n LYS 42 Ca -0.02 -2.94 -0.15 0.00 -2.87 0.00 0.00 58.31 52.33 1brz n LYS 42 Cb 0.12 -2.16 -0.03 0.00 -1.84 0.00 0.00 35.03 31.13 1brz n LYS 42 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1brz n ARG 43 N -0.95 -1.79 -0.21 1.97 0.63 -0.52 -4.85 116.66 110.93 1brz n ARG 43 Ca 0.56 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1brz n ARG 43 Cb 1.61 -3.62 0.00 0.00 0.45 0.00 0.00 32.46 30.90 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1brz n ASN 44 N -1.44 0.00 -3.42 6.15 4.13 -1.26 -4.89 115.26 114.54 1brz n ASN 44 Ca 0.04 -0.28 -0.19 0.00 1.68 0.00 0.00 54.58 55.83 1brz n ASN 44 Cb 0.38 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.51 1brz n ASN 44 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1brz s LEU 45 N 0.00 -0.14 0.18 3.41 1.43 -1.26 -4.06 118.68 118.25 1brz s LEU 45 Ca 0.00 -0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 1brz s LEU 45 Cb 0.00 0.39 -0.06 0.00 0.03 0.00 0.00 46.19 46.55 1brz s LEU 45 CO 0.00 -0.40 0.47 -1.10 0.23 0.00 0.00 176.35 175.55 1brz s GLN 46 N 2.33 3.72 -0.42 1.70 -0.21 -0.15 -4.62 119.66 122.01 1brz s GLN 46 Ca 0.09 0.12 -0.18 0.00 0.02 0.00 0.00 55.36 55.41 1brz s GLN 46 Cb -0.14 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.14 1brz s GLN 46 CO -0.33 0.39 0.49 0.00 -2.12 0.00 0.00 175.29 173.71 1brz s ILE 48 N 2.30 5.06 -0.27 0.00 -1.09 0.14 0.05 121.20 127.39 1brz s ILE 48 Ca 0.15 1.31 -0.06 0.00 -2.23 0.00 0.00 60.65 59.81 1brz s ILE 48 Cb -0.16 -3.99 -0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1brz s ILE 48 CO 0.15 0.22 0.06 0.00 -1.23 0.00 0.00 174.94 174.14 1brz s ASP 50 N 1.52 6.58 -0.22 0.00 1.01 0.11 -0.98 116.67 124.69 1brz s ASP 50 Ca 0.04 0.69 0.12 0.00 0.71 0.00 0.00 52.55 54.10 1brz s ASP 50 Cb -0.16 -2.21 -0.21 0.00 1.01 0.00 0.00 42.92 41.34 1brz s ASP 50 CO 0.02 0.16 -0.04 -1.22 0.21 0.00 0.00 175.17 174.30 1brz n TYR 51 N 3.02 0.00 0.00 4.23 4.02 -0.02 0.13 117.16 128.55 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 -0.97 0.00 0.00 -0.02 0.00 0.00 39.34 38.87 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 0.28 -1.26 -4.96 120.64 114.70 1brz n GLU 53 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 1brz n GLU 53 Cb 0.00 0.00 0.06 0.00 1.43 0.00 0.00 31.44 32.93 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63