#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 0.00 -3.80 -0.67 4.81 -1.26 -4.53 118.16 112.71 1brz n LYS 3 Ca 0.00 0.40 -0.29 0.00 -0.87 0.00 0.00 58.31 57.55 1brz n LYS 3 Cb 0.00 -0.92 0.02 0.00 0.02 0.00 0.00 35.03 34.15 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 -6.50 0.12 -0.16 0.00 3.01 -1.26 -0.72 119.74 114.22 1brz s LYS 5 Ca 0.62 0.26 -0.06 0.00 -1.01 0.00 0.00 55.97 55.78 1brz s LYS 5 Cb -0.31 -0.04 0.07 0.00 -1.01 0.00 0.00 37.83 36.54 1brz s LYS 5 CO 0.76 -0.08 0.35 0.15 0.51 0.00 0.00 175.35 177.04 1brz s LYS 6 N 0.56 0.26 0.95 1.68 1.02 -0.21 -4.49 119.74 119.51 1brz s LYS 6 Ca -0.04 0.87 -0.11 0.00 0.02 0.00 0.00 55.97 56.71 1brz s LYS 6 Cb -0.06 0.13 0.16 0.00 -0.52 0.00 0.00 37.83 37.54 1brz s LYS 6 CO -0.03 -0.25 1.12 0.14 -0.92 0.00 0.00 175.35 175.41 1brz s VAL 7 N 2.31 2.20 -0.75 3.17 -7.23 -1.26 -0.98 120.40 117.86 1brz s VAL 7 Ca -0.02 0.07 -0.01 0.00 -1.81 0.00 0.00 61.98 60.21 1brz s VAL 7 Cb -0.11 -2.16 0.19 0.00 0.56 0.00 0.00 36.38 34.86 1brz s VAL 7 CO -0.11 -0.09 0.59 -0.47 -0.31 0.00 0.00 175.10 174.71 1brz s TYR 8 N -2.65 3.63 0.00 2.82 6.14 0.29 -4.79 117.35 122.79 1brz s TYR 8 Ca 0.66 -2.97 0.00 0.00 0.64 0.00 0.00 57.07 55.40 1brz s TYR 8 Cb -0.22 -3.13 0.00 0.00 0.42 0.00 0.00 41.96 39.03 1brz s TYR 8 CO 0.59 -0.75 0.52 -0.85 0.64 0.00 0.00 175.55 175.70 1brz n GLU 9 N 2.73 0.00 -0.35 4.97 -0.00 -1.26 -3.35 120.64 123.38 1brz n GLU 9 Ca 0.15 0.07 0.33 0.00 -0.00 0.00 0.00 57.16 57.71 1brz n GLU 9 Cb 0.37 -1.02 0.58 0.00 -0.00 0.00 0.00 31.44 31.37 1brz n GLU 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1brz n ASN 10 N -0.61 0.29 -4.67 -1.84 4.05 -1.26 -4.51 115.26 106.72 1brz n ASN 10 Ca 0.00 1.50 -0.50 0.00 0.45 0.00 0.00 54.58 56.04 1brz n ASN 10 Cb 0.00 -0.73 -0.05 0.00 1.23 0.00 0.00 39.78 40.22 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1brz n TYR 11 N -4.99 2.13 -1.44 1.20 9.36 -1.21 -4.78 117.16 117.42 1brz n TYR 11 Ca 0.37 0.27 -0.56 0.00 3.32 0.00 0.00 57.90 61.30 1brz n TYR 11 Cb 1.30 -2.54 -0.09 0.00 -0.63 0.00 0.00 39.34 37.39 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1brz n PRO 12 N 4.75 0.69 0.00 2.98 -0.02 -1.26 -4.73 135.00 137.40 1brz n PRO 12 Ca 0.21 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1brz n PRO 12 Cb 0.25 -2.04 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1brz n PRO 12 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1brz n VAL 13 N 6.35 0.00 0.00 -1.45 3.14 -1.26 -4.28 118.33 120.82 1brz n VAL 13 Ca 0.43 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.81 1brz n VAL 13 Cb 0.11 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 1brz n VAL 13 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1brz n SER 14 N -0.62 0.00 -4.75 6.55 3.41 -1.26 -4.83 113.62 112.12 1brz n SER 14 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1brz n SER 14 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1brz n SER 14 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1brz s LYS 15 N 0.00 2.86 0.00 4.33 2.20 -1.26 -4.89 119.74 122.98 1brz s LYS 15 Ca 0.00 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 1brz s LYS 15 Cb 0.00 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 1brz s LYS 15 CO 0.00 -1.32 0.00 0.00 -0.36 0.00 0.00 175.35 173.67 1brz h GLN 17 N 0.00 0.08 -6.26 0.00 1.08 -1.97 -3.40 115.11 104.64 1brz h GLN 17 Ca 0.00 -0.14 -0.56 0.00 -1.45 0.00 0.00 58.65 56.50 1brz h GLN 17 Cb 0.28 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1brz h GLN 17 CO 0.00 0.81 1.12 -0.51 -0.95 0.00 0.00 178.83 179.30 1brz s LEU 18 N -6.52 4.00 0.00 1.46 2.01 -1.26 -4.83 118.68 113.54 1brz s LEU 18 Ca -0.06 1.79 0.00 0.00 0.01 0.00 0.00 54.13 55.87 1brz s LEU 18 Cb 0.08 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.75 1brz s LEU 18 CO 0.83 -1.18 0.21 0.00 1.01 0.00 0.00 176.35 177.22 1brz n ALA 19 N 8.15 1.76 -2.00 4.21 0.00 -1.26 -4.07 120.51 127.30 1brz n ALA 19 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1brz n ALA 19 Cb 0.45 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 1.85 0.00 0.00 0.00 4.05 -1.26 -4.67 115.26 115.23 1brz n ASN 20 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1brz n ASN 20 Cb 0.05 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.06 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 0.00 0.36 1.20 1.13 -1.26 0.28 117.38 119.09 1brz n GLN 21 Ca 0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1brz n GLN 21 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.26 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 -1.00 -1.16 -0.17 0.00 -0.00 0.38 0.22 115.58 113.84 1brz h ASN 23 Ca -0.08 0.13 0.05 0.00 -0.00 0.00 0.00 56.30 56.40 1brz h ASN 23 Cb 0.81 0.44 -0.06 0.00 -0.00 0.00 0.00 38.32 39.51 1brz h ASN 23 CO 0.07 -0.46 -0.20 0.22 -0.00 0.00 0.00 177.43 177.06 1brz h TYR 24 N -0.61 -0.51 -0.44 0.67 3.20 0.22 0.62 116.97 120.12 1brz h TYR 24 Ca 0.03 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.02 1brz h TYR 24 Cb 0.65 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 39.09 1brz h TYR 24 CO -0.36 -0.27 -0.12 -0.44 -1.64 0.00 0.00 178.16 175.33 1brz h ASP 25 N -0.23 -0.44 -0.15 -2.11 5.19 0.35 -0.52 116.42 118.52 1brz h ASP 25 Ca 0.11 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.71 1brz h ASP 25 Cb 0.40 0.28 -0.06 0.00 0.18 0.00 0.00 39.33 40.13 1brz h ASP 25 CO -0.31 -0.16 -0.28 0.00 -3.12 0.00 0.00 179.24 175.37 1brz n LYS 27 N -5.39 0.06 0.06 0.00 4.81 0.11 -1.14 118.16 116.68 1brz n LYS 27 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1brz n LYS 27 Cb 0.31 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.34 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 -0.04 -1.04 0.10 3.14 -0.00 0.33 -4.78 117.00 114.70 1brz n LEU 28 Ca 0.00 0.29 0.09 0.00 -0.00 0.00 0.00 56.01 56.39 1brz n LEU 28 Cb 0.01 1.23 0.42 0.00 -0.00 0.00 0.00 43.42 45.08 1brz n LEU 28 CO 0.00 -0.12 0.78 0.47 -0.00 0.00 0.00 177.39 178.52 1brz n ASP 29 N -2.68 0.43 -0.90 1.96 9.92 1.30 -2.57 116.55 124.02 1brz n ASP 29 Ca 0.00 0.64 0.02 0.00 -0.53 0.00 0.00 54.79 54.92 1brz n ASP 29 Cb 0.00 -0.72 0.01 0.00 -0.64 0.00 0.00 41.12 39.77 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 -2.02 0.01 -3.33 -1.24 4.76 -1.13 -4.97 118.16 110.24 1brz n LYS 30 Ca 0.01 -1.42 -0.25 0.00 -2.87 0.00 0.00 58.31 53.79 1brz n LYS 30 Cb 0.13 -0.31 -0.05 0.00 -1.84 0.00 0.00 35.03 32.96 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1brz n HIS 31 N 0.19 -0.92 -2.31 2.13 8.25 -1.06 -4.86 115.22 116.64 1brz n HIS 31 Ca 0.03 0.40 -0.27 0.00 -0.26 0.00 0.00 57.72 57.62 1brz n HIS 31 Cb 0.88 -1.20 0.16 0.00 1.12 0.00 0.00 29.99 30.96 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1brz s ALA 32 N -2.37 3.02 -0.11 -1.41 0.00 -0.29 -4.94 121.76 115.66 1brz s ALA 32 Ca 0.48 -1.64 0.16 0.00 0.00 0.00 0.00 51.96 50.97 1brz s ALA 32 Cb -0.28 -2.29 -0.19 0.00 0.00 0.00 0.00 23.12 20.36 1brz s ALA 32 CO 0.59 -2.06 0.64 0.54 0.00 0.00 0.00 175.76 175.47 1brz n ARG 33 N -3.35 0.64 -3.08 0.00 5.12 0.26 -4.44 116.66 111.80 1brz n ARG 33 Ca 0.17 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 1brz n ARG 33 Cb 0.60 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1brz n SER 34 N -2.87 0.00 0.00 0.55 3.41 -0.03 -4.87 113.62 109.82 1brz n SER 34 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1brz n SER 34 Cb 0.93 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 -1.44 0.00 5.00 0.00 -1.26 0.57 105.19 108.06 1brz n GLY 35 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.16 0.00 -3.84 1.61 0.00 0.26 -4.55 120.64 113.95 1brz n GLU 36 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 1brz n GLU 36 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.32 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 -0.35 0.39 -0.28 0.00 0.08 -0.36 -4.92 117.98 112.55 1brz s PHE 38 Ca -0.04 -0.77 -0.10 0.00 0.12 0.00 0.00 56.93 56.13 1brz s PHE 38 Cb -0.03 -0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.29 1brz s PHE 38 CO 0.00 -0.68 0.17 0.71 -0.10 0.00 0.00 175.22 175.33 1brz s TYR 39 N -3.96 3.19 1.10 0.36 2.02 -1.26 -0.72 117.35 118.08 1brz s TYR 39 Ca 0.16 -0.07 -0.18 0.00 -0.37 0.00 0.00 57.07 56.60 1brz s TYR 39 Cb 0.04 -2.36 0.09 0.00 -0.40 0.00 0.00 41.96 39.33 1brz s TYR 39 CO -0.02 -0.24 -0.01 -0.40 -1.57 0.00 0.00 175.55 173.32 1brz n ASP 40 N 5.03 -2.38 -1.56 2.29 5.75 0.14 -4.63 116.55 121.19 1brz n ASP 40 Ca -0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 1brz n ASP 40 Cb 0.51 -0.97 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 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 -1.90 0.21 0.00 0.11 1.02 -1.26 -3.55 120.64 115.27 1brz n GLU 41 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1brz n GLU 41 Cb 0.62 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 1.52 0.00 -0.11 3.49 4.76 -1.26 -5.06 118.16 121.49 1brz n LYS 42 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1brz n LYS 42 Cb 0.11 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.29 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 -0.87 0.00 -3.69 1.97 3.00 -1.23 -5.13 116.66 110.70 1brz n ARG 43 Ca 0.00 -0.01 -0.36 0.00 -0.00 0.00 0.00 57.85 57.47 1brz n ARG 43 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 32.46 32.40 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 -0.01 5.99 0.04 6.15 0.01 -1.26 -4.89 114.94 120.97 1brz s ASN 44 Ca 0.00 0.07 -0.19 0.00 -0.71 0.00 0.00 52.86 52.03 1brz s ASN 44 Cb 0.00 -2.08 -0.06 0.00 0.41 0.00 0.00 41.25 39.52 1brz s ASN 44 CO 0.00 0.06 0.56 -0.22 -1.51 0.00 0.00 177.10 175.99 1brz s LEU 45 N 1.10 4.49 -0.05 0.60 2.96 -1.26 0.24 118.68 126.76 1brz s LEU 45 Ca 0.07 1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 55.08 1brz s LEU 45 Cb -0.14 -2.88 0.02 0.00 0.50 0.00 0.00 46.19 43.70 1brz s LEU 45 CO 0.05 0.23 0.25 -1.10 -1.32 0.00 0.00 176.35 174.46 1brz s GLN 46 N -0.83 0.48 -0.49 1.98 -0.21 0.10 -4.94 119.66 115.74 1brz s GLN 46 Ca 0.29 -0.00 -0.27 0.00 0.02 0.00 0.00 55.36 55.40 1brz s GLN 46 Cb -0.19 0.22 0.03 0.00 1.00 0.00 0.00 33.01 34.07 1brz s GLN 46 CO 0.18 -0.11 1.04 0.00 -2.12 0.00 0.00 175.29 174.28 1brz s ILE 48 N 4.20 4.92 -0.27 0.00 1.01 0.89 0.11 121.20 132.06 1brz s ILE 48 Ca 0.41 0.82 -0.14 0.00 0.00 0.00 0.00 60.65 61.74 1brz s ILE 48 Cb -0.09 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1brz s ILE 48 CO 0.28 -0.18 0.34 0.00 0.00 0.00 0.00 174.94 175.38 1brz s ASP 50 N 1.65 6.67 0.00 0.00 2.15 0.19 -1.05 116.67 126.29 1brz s ASP 50 Ca 0.14 0.80 0.10 0.00 0.43 0.00 0.00 52.55 54.01 1brz s ASP 50 Cb -0.16 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 1brz s ASP 50 CO 0.10 0.23 0.56 -1.22 -0.17 0.00 0.00 175.17 174.67 1brz n TYR 51 N 2.51 0.00 0.00 -5.34 4.02 0.10 0.91 117.16 119.36 1brz n TYR 51 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1brz n TYR 51 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 -3.39 0.00 0.00 0.00 -1.26 -4.90 120.64 111.09 1brz n GLU 53 Ca 0.00 2.48 0.00 0.00 0.00 0.00 0.00 57.16 59.64 1brz n GLU 53 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 31.44 28.78 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79