#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 0.00 0.11 5.02 -1.26 -4.98 118.16 117.05 1brz n LYS 3 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1brz n LYS 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1brz s LYS 5 N 0.00 0.32 -0.16 0.00 3.01 -1.26 -0.41 119.74 121.24 1brz s LYS 5 Ca 0.00 -0.47 -0.07 0.00 -1.01 0.00 0.00 55.97 54.41 1brz s LYS 5 Cb 0.00 0.12 0.07 0.00 -1.01 0.00 0.00 37.83 37.01 1brz s LYS 5 CO 0.00 -0.06 0.37 0.21 0.51 0.00 0.00 175.35 176.38 1brz s LYS 6 N -1.26 0.31 0.59 1.68 2.20 0.02 -4.97 119.74 118.31 1brz s LYS 6 Ca -0.14 0.82 -0.19 0.00 -0.36 0.00 0.00 55.97 56.11 1brz s LYS 6 Cb -0.08 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 1brz s LYS 6 CO -0.00 -0.21 1.20 0.14 -0.36 0.00 0.00 175.35 176.12 1brz s VAL 7 N 1.89 2.67 -0.90 4.02 -7.23 -1.26 -1.16 120.40 118.43 1brz s VAL 7 Ca -0.06 0.41 0.21 0.00 -1.81 0.00 0.00 61.98 60.74 1brz s VAL 7 Cb -0.10 -3.16 -0.24 0.00 0.56 0.00 0.00 36.38 33.44 1brz s VAL 7 CO -0.12 -0.09 0.85 0.00 -0.31 0.00 0.00 175.10 175.44 1brz n TYR 8 N -1.59 0.00 0.00 2.82 4.19 0.12 -4.84 117.16 117.85 1brz n TYR 8 Ca 0.13 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.34 1brz n TYR 8 Cb 0.50 -0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.28 1brz n TYR 8 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1brz n GLU 9 N -1.56 0.00 0.00 2.98 0.00 -1.26 -4.65 120.64 116.15 1brz n GLU 9 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1brz n GLU 9 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.79 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 -2.86 0.00 0.00 -1.84 2.85 -1.26 -4.86 115.26 107.29 1brz n ASN 10 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1brz n ASN 10 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1brz n TYR 11 N 0.13 0.00 -1.50 1.20 4.19 -1.26 -5.07 117.16 114.85 1brz n TYR 11 Ca 0.00 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 60.98 1brz n TYR 11 Cb 0.00 0.00 -0.22 0.00 0.49 0.00 0.00 39.34 39.61 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1brz n PRO 12 N -0.00 0.00 0.00 2.98 -0.02 -1.26 -4.82 135.00 131.88 1brz n PRO 12 Ca 0.00 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1brz n PRO 12 Cb 0.00 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 5.64 0.00 0.00 -1.45 0.31 -1.26 -3.81 118.33 117.75 1brz n VAL 13 Ca 0.68 0.47 0.00 0.00 -0.01 0.00 0.00 64.34 65.48 1brz n VAL 13 Cb 0.13 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 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 0.00 0.00 -4.56 4.52 3.41 -1.26 -3.63 113.62 112.10 1brz n SER 14 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1brz n SER 14 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.57 -0.30 4.33 3.01 -1.25 -4.74 119.74 122.36 1brz s LYS 15 Ca 0.00 0.42 -0.17 0.00 -1.01 0.00 0.00 55.97 55.21 1brz s LYS 15 Cb 0.00 -4.80 0.18 0.00 -1.01 0.00 0.00 37.83 32.20 1brz s LYS 15 CO 0.00 -4.53 1.15 0.00 0.51 0.00 0.00 175.35 172.48 1brz n GLN 17 N 4.96 0.17 0.00 0.00 3.00 -1.26 -5.02 117.38 119.22 1brz n GLN 17 Ca -0.08 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1brz n GLN 17 Cb 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 30.24 30.00 1brz n GLN 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1brz n LEU 18 N -3.54 0.00 0.00 1.08 4.77 -1.26 -5.01 117.00 113.04 1brz n LEU 18 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1brz n LEU 18 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1brz n LEU 18 CO 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.09 1brz n ALA 19 N -0.00 0.00 -1.79 -1.18 0.00 -1.26 -4.43 120.51 111.85 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 -0.10 0.00 4.05 -1.26 -4.94 115.26 113.01 1brz n ASN 20 Ca 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 54.97 1brz n ASN 20 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1brz n ASN 20 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 1brz h GLN 21 N 0.00 -0.15 0.72 1.20 1.08 -1.98 0.10 115.11 116.08 1brz h GLN 21 Ca 0.00 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1brz h GLN 21 Cb 0.00 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1brz h GLN 21 CO 0.00 -0.10 -0.47 0.00 -0.95 0.00 0.00 178.83 177.32 1brz h ASN 23 N -1.12 -1.06 -0.41 0.00 -0.00 -1.70 0.13 115.58 111.43 1brz h ASN 23 Ca -0.09 0.12 0.07 0.00 -0.00 0.00 0.00 56.30 56.40 1brz h ASN 23 Cb 0.91 0.40 -0.06 0.00 -0.00 0.00 0.00 38.32 39.57 1brz h ASN 23 CO 0.08 -0.33 0.01 0.22 -0.00 0.00 0.00 177.43 177.41 1brz h TYR 24 N -0.42 0.00 -0.03 0.67 3.20 -0.82 0.09 116.97 119.65 1brz h TYR 24 Ca 0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1brz h TYR 24 Cb 0.46 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1brz h TYR 24 CO -0.47 -0.07 -0.26 -0.44 -1.64 0.00 0.00 178.16 175.28 1brz h ASP 25 N 0.12 -0.83 -0.91 -2.11 5.19 0.11 -0.27 116.42 117.73 1brz h ASP 25 Ca 0.20 0.10 0.19 0.00 -0.62 0.00 0.00 57.03 56.90 1brz h ASP 25 Cb 0.28 0.32 -0.11 0.00 0.18 0.00 0.00 39.33 40.00 1brz h ASP 25 CO -0.32 -0.25 0.46 0.00 -3.12 0.00 0.00 179.24 176.01 1brz n LYS 27 N -4.93 0.05 0.00 0.00 4.81 -0.00 -0.17 118.16 117.92 1brz n LYS 27 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1brz n LYS 27 Cb 0.58 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.63 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 -0.41 0.00 0.21 3.14 7.94 0.24 -4.69 117.00 123.42 1brz n LEU 28 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1brz n LEU 28 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1brz n LEU 28 CO 0.00 0.00 0.27 0.44 -1.11 0.00 0.00 177.39 176.99 1brz h ASP 29 N 0.00 -0.50 -0.53 1.96 3.32 0.71 -3.29 116.42 118.08 1brz h ASP 29 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1brz h ASP 29 Cb 0.00 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1brz h ASP 29 CO 0.00 -0.14 0.00 1.17 -1.72 0.00 0.00 179.24 178.55 1brz n LYS 30 N -4.79 4.36 -2.87 3.56 3.00 -1.20 -4.90 118.16 115.32 1brz n LYS 30 Ca -0.07 -2.80 -0.19 0.00 -0.00 0.00 0.00 58.31 55.25 1brz n LYS 30 Cb 0.23 -2.14 0.00 0.00 0.00 0.00 0.00 35.03 33.13 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1brz n HIS 31 N 0.64 -1.62 -1.98 5.64 8.25 -1.16 -4.95 115.22 120.04 1brz n HIS 31 Ca 0.25 0.27 -0.20 0.00 -0.26 0.00 0.00 57.72 57.77 1brz n HIS 31 Cb 1.06 -3.27 0.13 0.00 1.12 0.00 0.00 29.99 29.03 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 -2.92 -0.71 -0.08 -1.41 0.00 0.76 -4.90 120.51 111.25 1brz n ALA 32 Ca -0.10 -1.36 -0.21 0.00 0.00 0.00 0.00 53.44 51.76 1brz n ALA 32 Cb 0.60 0.04 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.87 0.67 0.00 0.00 3.00 0.86 -4.10 116.66 114.22 1brz n ARG 33 Ca 0.12 0.24 0.00 0.00 -0.01 0.00 0.00 57.85 58.20 1brz n ARG 33 Cb 0.44 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 31.30 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 -3.55 0.00 0.00 0.55 3.41 -0.52 -4.62 113.62 108.89 1brz n SER 34 Ca -0.41 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1brz n SER 34 Cb 0.97 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 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 -1.66 3.63 5.00 0.00 -1.26 0.22 105.19 111.12 1brz n GLY 35 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.54 0.13 0.39 1.61 -1.05 0.14 -4.41 118.70 113.97 1brz s GLU 36 Ca 0.00 -0.02 -0.09 0.00 -0.15 0.00 0.00 54.97 54.71 1brz s GLU 36 Cb 0.00 0.06 -0.06 0.00 -0.44 0.00 0.00 34.13 33.69 1brz s GLU 36 CO 0.00 -0.05 0.73 0.00 0.95 0.00 0.00 175.26 176.89 1brz s PHE 38 N -2.37 -0.40 0.00 0.00 0.40 -0.49 -4.88 117.98 110.24 1brz s PHE 38 Ca 0.49 0.93 0.00 0.00 -0.60 0.00 0.00 56.93 57.76 1brz s PHE 38 Cb -0.10 -0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.39 1brz s PHE 38 CO 0.33 -0.34 0.00 0.66 0.70 0.00 0.00 175.22 176.57 1brz n TYR 39 N 5.22 0.00 -1.45 0.36 4.02 -1.26 -0.35 117.16 123.70 1brz n TYR 39 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1brz n TYR 39 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 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 0.00 -6.19 0.00 7.72 5.75 -1.26 -4.46 116.55 118.11 1brz n ASP 40 Ca 0.00 1.26 0.00 0.00 -0.01 0.00 0.00 54.79 56.04 1brz n ASP 40 Cb 0.00 -4.15 0.00 0.00 -1.03 0.00 0.00 41.12 35.94 1brz n ASP 40 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1brz n GLU 41 N -2.09 0.00 -3.02 0.11 2.13 -1.26 -4.26 120.64 112.25 1brz n GLU 41 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1brz n GLU 41 Cb 0.27 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.95 1brz n GLU 41 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1brz n LYS 42 N 0.00 0.60 -4.09 5.31 0.00 -1.26 -4.96 118.16 113.76 1brz n LYS 42 Ca 0.00 -2.55 -0.35 0.00 0.00 0.00 0.00 58.31 55.41 1brz n LYS 42 Cb 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 35.03 33.54 1brz n LYS 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1brz n ARG 43 N 2.02 -0.99 -0.20 1.64 3.00 -1.26 -4.89 116.66 115.98 1brz n ARG 43 Ca 0.19 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.15 1brz n ARG 43 Cb 0.56 -4.36 0.00 0.00 0.00 0.00 0.00 32.46 28.66 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 -2.13 0.00 -3.25 6.15 3.02 -1.26 -5.02 115.26 112.78 1brz n ASN 44 Ca 0.10 -0.31 -0.04 0.00 -0.03 0.00 0.00 54.58 54.30 1brz n ASN 44 Cb 0.42 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.09 0.53 3.41 1.43 -1.26 -4.01 118.68 117.69 1brz s LEU 45 Ca 0.00 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1brz s LEU 45 Cb 0.00 1.46 0.03 0.00 0.03 0.00 0.00 46.19 47.71 1brz s LEU 45 CO 0.00 -0.31 0.74 -1.10 0.23 0.00 0.00 176.35 175.91 1brz s GLN 46 N 2.48 2.56 -0.27 1.70 -0.21 0.52 -4.81 119.66 121.63 1brz s GLN 46 Ca 0.11 -0.91 0.03 0.00 0.02 0.00 0.00 55.36 54.60 1brz s GLN 46 Cb -0.11 -2.54 0.06 0.00 1.00 0.00 0.00 33.01 31.42 1brz s GLN 46 CO -0.24 -0.66 -0.10 0.00 -2.12 0.00 0.00 175.29 172.17 1brz s ILE 48 N 1.09 5.10 -0.26 0.00 -1.09 0.17 0.13 121.20 126.34 1brz s ILE 48 Ca -0.08 0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 59.09 1brz s ILE 48 Cb -0.20 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 1brz s ILE 48 CO -0.05 0.13 0.18 0.00 -1.23 0.00 0.00 174.94 173.97 1brz s ASP 50 N 1.40 6.74 -0.00 0.00 1.11 0.13 -0.80 116.67 125.25 1brz s ASP 50 Ca 0.07 0.89 0.06 0.00 0.18 0.00 0.00 52.55 53.75 1brz s ASP 50 Cb -0.15 -2.22 -0.07 0.00 1.07 0.00 0.00 42.92 41.55 1brz s ASP 50 CO 0.08 0.28 0.21 -1.22 1.18 0.00 0.00 175.17 175.69 1brz n TYR 51 N 1.53 0.00 -0.86 4.23 4.02 0.46 -0.10 117.16 126.44 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 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.03 -1.09 0.00 0.00 2.13 -1.26 -5.10 120.64 115.29 1brz n GLU 53 Ca 0.00 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1brz n GLU 53 Cb 0.34 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1brz n GLU 53 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70