#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 4.13 0.00 -1.24 -0.14 -1.26 -4.74 119.74 116.48 1brz s LYS 3 Ca 0.00 -0.06 0.00 0.00 -1.36 0.00 0.00 55.97 54.55 1brz s LYS 3 Cb 0.00 -3.53 0.00 0.00 -1.68 0.00 0.00 37.83 32.62 1brz s LYS 3 CO 0.00 0.04 0.00 0.00 -0.76 0.00 0.00 175.35 174.63 1brz s LYS 5 N 0.00 0.63 -0.18 0.00 0.00 -1.26 -0.97 119.74 117.95 1brz s LYS 5 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 55.97 55.19 1brz s LYS 5 Cb 0.00 0.25 0.08 0.00 0.00 0.00 0.00 37.83 38.16 1brz s LYS 5 CO 0.00 -0.17 0.39 0.21 0.00 0.00 0.00 175.35 175.78 1brz s LYS 6 N -2.60 0.30 -0.10 1.78 2.20 -0.18 -4.97 119.74 116.16 1brz s LYS 6 Ca -0.05 0.96 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 1brz s LYS 6 Cb -0.01 0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 36.48 1brz s LYS 6 CO -0.04 -0.25 1.92 0.14 -0.36 0.00 0.00 175.35 176.76 1brz s VAL 7 N 2.44 3.23 -0.55 4.02 -7.23 -1.26 -1.25 120.40 119.80 1brz s VAL 7 Ca -0.02 0.27 -0.22 0.00 -1.81 0.00 0.00 61.98 60.19 1brz s VAL 7 Cb -0.12 -3.22 -0.22 0.00 0.56 0.00 0.00 36.38 33.38 1brz s VAL 7 CO -0.12 -0.07 1.68 0.00 -0.31 0.00 0.00 175.10 176.28 1brz n TYR 8 N 8.76 0.45 0.00 2.82 9.36 0.91 -4.64 117.16 134.82 1brz n TYR 8 Ca 0.22 -0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1brz n TYR 8 Cb 0.43 -1.62 0.00 0.00 -0.63 0.00 0.00 39.34 37.52 1brz n TYR 8 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1brz n GLU 9 N 7.21 0.00 -2.03 2.98 1.02 -1.26 -0.64 120.64 127.91 1brz n GLU 9 Ca 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1brz n GLU 9 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1brz n GLU 9 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1brz n ASN 10 N 0.35 0.00 -4.67 1.62 4.13 -1.26 -4.72 115.26 110.71 1brz n ASN 10 Ca 0.00 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.82 1brz n ASN 10 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1brz n TYR 11 N -0.71 2.12 -1.25 3.10 9.36 0.19 -4.61 117.16 125.36 1brz n TYR 11 Ca 0.00 0.49 -0.11 0.00 3.32 0.00 0.00 57.90 61.60 1brz n TYR 11 Cb 0.00 -2.43 -0.11 0.00 -0.63 0.00 0.00 39.34 36.17 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 1.51 0.01 -1.54 2.98 -0.02 -1.26 -4.71 135.00 131.96 1brz n PRO 12 Ca 0.09 -0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 1brz n PRO 12 Cb 0.33 -1.06 -0.05 0.00 -0.02 0.00 0.00 33.50 32.70 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 5.08 0.17 0.00 -1.45 0.31 -1.26 -4.25 118.33 116.92 1brz n VAL 13 Ca 0.33 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1brz n VAL 13 Cb 0.33 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 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 12.32 0.00 -4.77 4.52 3.41 -1.26 -4.95 113.62 122.89 1brz n SER 14 Ca 0.37 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.66 1brz n SER 14 Cb 0.40 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.43 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 2.31 0.00 4.33 1.02 -1.26 -4.92 119.74 121.22 1brz s LYS 15 Ca 0.00 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.20 1brz s LYS 15 Cb 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1brz s LYS 15 CO 0.00 -1.61 0.00 0.00 -0.92 0.00 0.00 175.35 172.82 1brz n GLN 17 N -0.80 -1.54 -3.75 0.00 3.00 -1.26 -3.76 117.38 109.26 1brz n GLN 17 Ca 0.00 0.65 -0.19 0.00 -0.01 0.00 0.00 57.00 57.45 1brz n GLN 17 Cb 0.00 -4.91 -0.00 0.00 0.00 0.00 0.00 30.24 25.32 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 -0.65 -0.11 0.00 1.08 4.32 -1.26 -4.57 117.00 115.80 1brz n LEU 18 Ca -0.06 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 1brz n LEU 18 Cb 0.47 -0.66 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1brz n LEU 18 CO 0.09 0.32 0.00 0.00 -1.22 0.00 0.00 177.39 176.58 1brz n ALA 19 N -2.65 0.00 -2.00 -1.18 0.00 -1.25 -4.90 120.51 108.54 1brz n ALA 19 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1brz n ALA 19 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 0.00 4.05 -1.26 -4.91 115.26 113.14 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 0.00 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 0.00 -3.05 0.00 0.00 177.26 174.21 1brz n GLN 21 N 0.00 0.00 0.05 1.20 3.00 -1.26 0.33 117.38 120.70 1brz n GLN 21 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1brz n GLN 21 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1brz h ASN 23 N -0.10 -0.15 -0.56 0.00 -0.00 0.53 0.50 115.58 115.80 1brz h ASN 23 Ca 0.02 0.02 0.10 0.00 -0.00 0.00 0.00 56.30 56.44 1brz h ASN 23 Cb 0.13 0.06 -0.08 0.00 -0.00 0.00 0.00 38.32 38.42 1brz h ASN 23 CO -0.06 -0.06 0.11 0.22 -0.00 0.00 0.00 177.43 177.65 1brz h TYR 24 N -0.08 0.18 0.21 0.67 3.20 -0.78 0.71 116.97 121.07 1brz h TYR 24 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1brz h TYR 24 Cb 0.08 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 1brz h TYR 24 CO -0.28 -0.02 -0.15 -0.44 -1.64 0.00 0.00 178.16 175.63 1brz h ASP 25 N 0.25 -0.39 -0.98 -2.11 3.32 -0.06 -2.80 116.42 113.66 1brz h ASP 25 Ca 0.29 0.02 0.20 0.00 0.02 0.00 0.00 57.03 57.56 1brz h ASP 25 Cb 0.41 0.12 -0.11 0.00 0.22 0.00 0.00 39.33 39.97 1brz h ASP 25 CO -0.37 -0.22 0.57 0.00 -1.72 0.00 0.00 179.24 177.50 1brz n LYS 27 N -4.83 0.00 0.00 0.00 4.81 0.23 -0.43 118.16 117.94 1brz n LYS 27 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1brz n LYS 27 Cb 0.60 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.45 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 -0.68 0.00 0.09 3.14 -0.00 0.14 -4.81 117.00 114.88 1brz n LEU 28 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1brz n LEU 28 Cb 0.00 0.04 -0.08 0.00 -0.00 0.00 0.00 43.42 43.37 1brz n LEU 28 CO 0.00 -0.04 0.56 0.44 -0.00 0.00 0.00 177.39 178.36 1brz h ASP 29 N 0.00 -0.21 -0.60 1.96 3.32 0.66 -3.22 116.42 118.33 1brz h ASP 29 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1brz h ASP 29 Cb 0.00 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1brz h ASP 29 CO 0.00 0.20 0.00 0.29 -1.72 0.00 0.00 179.24 178.01 1brz n LYS 30 N -5.02 4.60 -3.62 3.56 5.02 -1.20 -4.92 118.16 116.58 1brz n LYS 30 Ca -0.09 -3.07 -0.24 0.00 -2.02 0.00 0.00 58.31 52.89 1brz n LYS 30 Cb 0.25 -2.17 -0.04 0.00 -0.02 0.00 0.00 35.03 33.04 1brz n LYS 30 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1brz n HIS 31 N 0.76 -1.57 -1.77 2.13 -0.00 -1.01 -4.90 115.22 108.87 1brz n HIS 31 Ca 0.27 0.40 -0.05 0.00 -0.00 0.00 0.00 57.72 58.34 1brz n HIS 31 Cb 1.12 -1.71 0.03 0.00 -0.00 0.00 0.00 29.99 29.43 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1brz n ALA 32 N -3.41 -0.12 -0.11 1.59 0.00 0.42 -4.95 120.51 113.93 1brz n ALA 32 Ca 0.06 -0.36 -0.25 0.00 0.00 0.00 0.00 53.44 52.88 1brz n ALA 32 Cb 0.48 0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.45 0.60 -3.58 0.00 3.00 -0.07 -4.47 116.66 110.69 1brz n ARG 33 Ca 0.03 0.37 -0.14 0.00 -0.00 0.00 0.00 57.85 58.12 1brz n ARG 33 Cb 0.11 -1.61 -0.06 0.00 0.00 0.00 0.00 32.46 30.90 1brz n ARG 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1brz s SER 34 N -7.12 -0.58 0.52 6.15 1.04 -0.60 -4.77 113.70 108.35 1brz s SER 34 Ca -0.33 0.85 0.03 0.00 0.48 0.00 0.00 55.95 56.98 1brz s SER 34 Cb 0.10 0.77 0.01 0.00 0.10 0.00 0.00 66.02 67.00 1brz s SER 34 CO 0.57 -0.38 0.20 -0.83 0.98 0.00 0.00 173.24 173.78 1brz s GLY 35 N -0.54 2.69 -0.29 7.32 0.00 -1.26 0.20 107.32 115.44 1brz s GLY 35 Ca -0.04 -0.85 -0.25 0.00 0.00 0.00 0.00 44.72 43.58 1brz s GLY 35 CO 0.03 -2.07 1.29 -0.54 0.00 0.00 0.00 173.10 171.82 1brz s GLU 36 N -4.07 0.22 0.18 2.90 2.02 0.18 -4.35 118.70 115.78 1brz s GLU 36 Ca 0.20 0.27 -0.16 0.00 0.02 0.00 0.00 54.97 55.30 1brz s GLU 36 Cb -0.00 0.11 -0.07 0.00 0.10 0.00 0.00 34.13 34.26 1brz s GLU 36 CO 0.12 -0.03 0.61 0.00 0.02 0.00 0.00 175.26 175.98 1brz s PHE 38 N -1.52 -0.11 0.92 0.00 0.08 -0.40 -4.86 117.98 112.09 1brz s PHE 38 Ca 0.40 0.26 -0.15 0.00 0.12 0.00 0.00 56.93 57.56 1brz s PHE 38 Cb -0.15 0.03 0.23 0.00 -0.57 0.00 0.00 43.02 42.55 1brz s PHE 38 CO 0.20 -0.12 0.90 0.66 -0.10 0.00 0.00 175.22 176.76 1brz n TYR 39 N 2.67 -3.77 -2.99 0.36 4.01 -1.26 0.13 117.16 116.31 1brz n TYR 39 Ca -0.15 -0.81 0.00 0.00 -0.16 0.00 0.00 57.90 56.78 1brz n TYR 39 Cb 0.58 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 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 -4.28 0.00 0.00 7.72 5.68 -0.96 -4.74 116.55 119.96 1brz n ASP 40 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1brz n ASP 40 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1brz n ASP 40 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1brz n GLU 41 N -0.18 0.00 -3.52 0.11 0.28 -1.26 -1.37 120.64 114.70 1brz n GLU 41 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 1brz n GLU 41 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1brz n LYS 42 N 0.00 0.70 -2.26 3.44 4.76 -1.26 -4.89 118.16 118.65 1brz n LYS 42 Ca 0.00 -3.56 -0.07 0.00 -2.87 0.00 0.00 58.31 51.81 1brz n LYS 42 Cb 0.00 -1.82 -0.01 0.00 -1.84 0.00 0.00 35.03 31.36 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 2.49 -2.33 -3.36 1.97 0.63 -0.47 -4.89 116.66 110.70 1brz n ARG 43 Ca 0.27 0.35 -0.39 0.00 -0.92 0.00 0.00 57.85 57.16 1brz n ARG 43 Cb 0.45 -4.84 -0.08 0.00 0.45 0.00 0.00 32.46 28.44 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 -1.95 6.38 -0.47 6.15 -0.87 -1.11 -4.84 114.94 118.23 1brz s ASN 44 Ca 0.00 0.45 -0.23 0.00 -1.57 0.00 0.00 52.86 51.51 1brz s ASN 44 Cb 0.00 -2.23 0.03 0.00 -0.02 0.00 0.00 41.25 39.03 1brz s ASN 44 CO 0.00 -0.14 0.77 -0.76 -2.57 0.00 0.00 177.10 174.40 1brz s LEU 45 N 1.70 4.32 -0.05 0.60 1.43 -1.26 -2.28 118.68 123.15 1brz s LEU 45 Ca 0.18 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 1brz s LEU 45 Cb -0.15 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 1brz s LEU 45 CO 0.09 -0.94 0.41 -1.10 0.23 0.00 0.00 176.35 175.04 1brz s GLN 46 N 3.26 4.09 -0.68 1.70 -0.21 0.12 -4.43 119.66 123.51 1brz s GLN 46 Ca 0.28 0.38 -0.27 0.00 0.02 0.00 0.00 55.36 55.77 1brz s GLN 46 Cb -0.13 -3.31 0.02 0.00 1.00 0.00 0.00 33.01 30.59 1brz s GLN 46 CO 0.21 0.48 1.43 0.00 -2.12 0.00 0.00 175.29 175.28 1brz s ILE 48 N 6.50 4.78 -0.41 0.00 -1.09 0.18 -0.06 121.20 131.11 1brz s ILE 48 Ca 0.45 1.13 -0.19 0.00 -2.23 0.00 0.00 60.65 59.81 1brz s ILE 48 Cb -0.09 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.65 1brz s ILE 48 CO 0.18 -0.28 0.55 0.00 -1.23 0.00 0.00 174.94 174.16 1brz s ASP 50 N 1.88 7.00 0.00 0.00 1.01 0.53 -1.01 116.67 126.07 1brz s ASP 50 Ca 0.18 1.28 0.09 0.00 0.71 0.00 0.00 52.55 54.81 1brz s ASP 50 Cb -0.15 -2.37 0.01 0.00 1.01 0.00 0.00 42.92 41.42 1brz s ASP 50 CO 0.16 0.12 0.61 -1.22 0.21 0.00 0.00 175.17 175.05 1brz n TYR 51 N 1.04 0.00 0.00 4.23 4.02 -0.14 -0.89 117.16 125.41 1brz n TYR 51 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 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 0.00 0.00 0.00 -1.26 -4.77 120.64 114.61 1brz n GLU 53 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.17 1brz n GLU 53 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.45 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79