#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 0.37 -3.88 0.11 0.00 -1.26 -4.99 118.16 108.52 1brz n LYS 3 Ca 0.00 -2.16 -0.29 0.00 0.00 0.00 0.00 58.31 55.86 1brz n LYS 3 Cb 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 35.03 34.61 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1brz s LYS 5 N -6.54 0.23 -0.17 0.00 0.00 -1.26 -0.66 119.74 111.34 1brz s LYS 5 Ca 0.59 0.37 -0.11 0.00 0.00 0.00 0.00 55.97 56.82 1brz s LYS 5 Cb -0.29 0.03 0.05 0.00 0.00 0.00 0.00 37.83 37.62 1brz s LYS 5 CO 0.82 -0.08 0.42 0.15 0.00 0.00 0.00 175.35 176.67 1brz s LYS 6 N 0.51 0.43 0.65 1.78 1.02 -0.39 -4.85 119.74 118.89 1brz s LYS 6 Ca -0.03 0.74 -0.17 0.00 0.02 0.00 0.00 55.97 56.53 1brz s LYS 6 Cb -0.05 0.06 -0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1brz s LYS 6 CO -0.03 -0.13 1.18 0.14 -0.92 0.00 0.00 175.35 175.60 1brz s VAL 7 N 1.03 2.71 -0.65 3.17 -7.23 -1.26 -1.08 120.40 117.09 1brz s VAL 7 Ca -0.07 0.38 -0.19 0.00 -1.81 0.00 0.00 61.98 60.30 1brz s VAL 7 Cb -0.07 -3.01 0.12 0.00 0.56 0.00 0.00 36.38 33.98 1brz s VAL 7 CO -0.09 -0.15 0.76 -0.47 -0.31 0.00 0.00 175.10 174.84 1brz s TYR 8 N -1.91 3.07 -0.15 2.82 5.04 0.26 -4.83 117.35 121.65 1brz s TYR 8 Ca 0.74 -1.09 -0.29 0.00 -2.44 0.00 0.00 57.07 53.99 1brz s TYR 8 Cb -0.27 -4.04 -0.05 0.00 0.35 0.00 0.00 41.96 37.96 1brz s TYR 8 CO 0.39 -1.30 1.77 -1.21 -1.34 0.00 0.00 175.55 173.85 1brz s GLU 9 N 2.50 3.83 0.00 4.97 2.02 -1.26 -4.58 118.70 126.19 1brz s GLU 9 Ca 0.15 1.97 0.00 0.00 0.02 0.00 0.00 54.97 57.10 1brz s GLU 9 Cb -0.21 -4.09 0.00 0.00 0.10 0.00 0.00 34.13 29.93 1brz s GLU 9 CO 0.03 -1.27 0.00 -1.71 0.02 0.00 0.00 175.26 172.33 1brz n ASN 10 N 8.51 0.00 -4.58 -0.19 2.85 -1.26 -5.14 115.26 115.45 1brz n ASN 10 Ca 0.20 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.29 1brz n ASN 10 Cb 0.44 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.51 1brz n ASN 10 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1brz n TYR 11 N 0.00 0.48 1.45 1.20 4.01 -1.26 -4.82 117.16 118.22 1brz n TYR 11 Ca 0.00 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 1brz n TYR 11 Cb 0.00 -2.10 0.00 0.00 -0.31 0.00 0.00 39.34 36.93 1brz n TYR 11 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1brz n PRO 12 N -0.83 0.76 0.00 -0.72 -0.04 -1.26 -4.70 135.00 128.21 1brz n PRO 12 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1brz n PRO 12 Cb 0.47 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1brz n VAL 13 N -0.44 0.00 0.00 0.52 0.31 -1.26 -5.03 118.33 112.43 1brz n VAL 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1brz n VAL 13 Cb 0.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 -4.35 113.62 111.38 1brz n SER 14 Ca 0.00 0.73 -0.39 0.00 -0.26 0.00 0.00 58.87 58.95 1brz n SER 14 Cb 0.00 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.93 2.69 0.00 4.33 1.02 -1.26 -4.48 119.74 120.11 1brz s LYS 15 Ca 0.00 1.02 0.00 0.00 0.02 0.00 0.00 55.97 57.01 1brz s LYS 15 Cb 0.00 -4.39 0.00 0.00 -0.52 0.00 0.00 37.83 32.92 1brz s LYS 15 CO 0.00 -2.63 0.35 0.00 -0.92 0.00 0.00 175.35 172.14 1brz n GLN 17 N 0.00 3.03 -3.39 0.00 6.02 -1.26 -4.83 117.38 116.94 1brz n GLN 17 Ca -0.09 -3.80 0.02 0.00 -0.01 0.00 0.00 57.00 53.12 1brz n GLN 17 Cb 0.38 -2.17 -0.04 0.00 1.02 0.00 0.00 30.24 29.43 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 -3.57 -0.62 -0.02 1.08 1.43 -1.26 -5.03 118.68 110.69 1brz s LEU 18 Ca 0.52 0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1brz s LEU 18 Cb 0.43 1.69 -0.01 0.00 0.03 0.00 0.00 46.19 48.32 1brz s LEU 18 CO 0.02 -0.12 0.78 0.00 0.23 0.00 0.00 176.35 177.26 1brz n ALA 19 N 5.04 1.35 -1.00 4.21 0.00 -1.26 -3.61 120.51 125.24 1brz n ALA 19 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1brz n ALA 19 Cb 0.52 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 3.37 0.00 -0.32 0.00 4.05 -1.26 -4.73 115.26 116.37 1brz n ASN 20 Ca 0.03 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.98 1brz n ASN 20 Cb 0.05 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 40.98 1brz n ASN 20 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1brz n GLN 21 N -0.76 -0.33 0.24 1.20 -0.06 -1.24 0.11 117.38 116.54 1brz n GLN 21 Ca 0.00 1.29 -0.15 0.00 -2.00 0.00 0.00 57.00 56.14 1brz n GLN 21 Cb 0.00 -1.91 -0.08 0.00 -4.06 0.00 0.00 30.24 24.19 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1brz h ASN 23 N -0.67 -0.85 -1.00 0.00 -0.00 -1.50 0.34 115.58 111.90 1brz h ASN 23 Ca -0.06 0.07 0.20 0.00 -0.00 0.00 0.00 56.30 56.52 1brz h ASN 23 Cb 0.49 0.28 -0.11 0.00 -0.00 0.00 0.00 38.32 38.98 1brz h ASN 23 CO 0.10 -0.39 0.61 0.22 -0.00 0.00 0.00 177.43 177.97 1brz h TYR 24 N -0.58 1.04 0.43 0.67 3.20 0.67 0.16 116.97 122.56 1brz h TYR 24 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1brz h TYR 24 Cb 0.51 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1brz h TYR 24 CO -0.21 0.20 -0.44 -0.44 -1.64 0.00 0.00 178.16 175.62 1brz h ASP 25 N 0.71 -1.22 -0.78 -2.11 5.19 0.15 -1.56 116.42 116.80 1brz h ASP 25 Ca 0.59 0.10 0.13 0.00 -0.62 0.00 0.00 57.03 57.24 1brz h ASP 25 Cb 0.99 0.41 -0.09 0.00 0.18 0.00 0.00 39.33 40.82 1brz h ASP 25 CO -0.39 -0.60 0.37 0.00 -3.12 0.00 0.00 179.24 175.49 1brz n LYS 27 N -4.92 0.00 0.00 0.00 4.81 -0.08 -1.14 118.16 116.83 1brz n LYS 27 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1brz n LYS 27 Cb 0.39 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 34.31 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 -0.63 0.00 0.10 3.14 7.94 0.85 -4.57 117.00 123.82 1brz n LEU 28 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 1brz n LEU 28 Cb 0.00 0.00 0.42 0.00 0.53 0.00 0.00 43.42 44.37 1brz n LEU 28 CO 0.00 0.00 0.78 0.47 -1.11 0.00 0.00 177.39 177.53 1brz n ASP 29 N -0.93 0.44 0.00 1.96 8.00 1.15 -2.96 116.55 124.20 1brz n ASP 29 Ca 0.00 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1brz n ASP 29 Cb 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1brz n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1brz n LYS 30 N -2.02 0.00 -3.23 -1.24 4.76 -1.22 -5.00 118.16 110.21 1brz n LYS 30 Ca 0.01 -0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1brz n LYS 30 Cb 0.14 -0.44 0.07 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 0.00 -1.97 -2.40 2.13 8.25 -1.16 -5.02 115.22 115.05 1brz n HIS 31 Ca 0.00 0.76 -0.21 0.00 -0.26 0.00 0.00 57.72 58.01 1brz n HIS 31 Cb 0.26 -4.31 0.12 0.00 1.12 0.00 0.00 29.99 27.18 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 -3.92 -0.15 -0.08 -1.41 0.00 -0.29 -4.93 120.51 109.74 1brz n ALA 32 Ca -0.12 -1.66 -0.11 0.00 0.00 0.00 0.00 53.44 51.54 1brz n ALA 32 Cb 0.59 0.20 -0.15 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.79 0.67 0.00 0.00 3.00 0.13 -4.56 116.66 113.12 1brz n ARG 33 Ca 0.14 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1brz n ARG 33 Cb 0.51 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 31.36 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 -2.95 0.00 -2.46 6.15 3.41 0.14 -4.92 113.62 112.99 1brz n SER 34 Ca -0.30 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.20 1brz n SER 34 Cb 1.10 0.00 -0.02 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 -0.10 2.24 3.58 5.00 0.00 -1.26 0.11 105.19 114.76 1brz n GLY 35 Ca 0.00 -1.51 0.02 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.53 0.12 -0.05 1.61 2.12 -0.37 -4.39 118.70 115.20 1brz s GLU 36 Ca 0.20 -0.06 -0.21 0.00 0.36 0.00 0.00 54.97 55.26 1brz s GLU 36 Cb -0.01 0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 1brz s GLU 36 CO 0.15 -0.05 0.60 0.00 -0.54 0.00 0.00 175.26 175.42 1brz s PHE 38 N 0.32 0.60 -0.54 0.00 0.08 -0.25 -4.91 117.98 113.28 1brz s PHE 38 Ca 0.32 -0.98 -0.21 0.00 0.12 0.00 0.00 56.93 56.18 1brz s PHE 38 Cb -0.17 -0.26 0.06 0.00 -0.57 0.00 0.00 43.02 42.07 1brz s PHE 38 CO 0.16 -0.61 0.76 0.71 -0.10 0.00 0.00 175.22 176.14 1brz s TYR 39 N -4.00 2.93 0.56 0.36 2.02 -1.26 -0.12 117.35 117.85 1brz s TYR 39 Ca 0.19 -0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1brz s TYR 39 Cb 0.05 -3.81 0.11 0.00 -0.40 0.00 0.00 41.96 37.92 1brz s TYR 39 CO -0.00 -1.21 0.77 -0.40 -1.57 0.00 0.00 175.55 173.14 1brz n ASP 40 N 6.71 1.03 -1.90 2.29 5.75 -1.15 -4.89 116.55 124.39 1brz n ASP 40 Ca -0.04 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1brz n ASP 40 Cb 0.46 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 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 -2.43 0.16 -0.60 0.11 1.02 -1.26 -2.10 120.64 115.55 1brz n GLU 41 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1brz n GLU 41 Cb 0.46 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 1.90 0.00 -4.49 3.49 0.00 -1.26 -5.00 118.16 112.80 1brz n LYS 42 Ca 0.00 -0.91 -0.42 0.00 0.00 0.00 0.00 58.31 56.98 1brz n LYS 42 Cb 0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 35.03 34.69 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1brz n ARG 43 N 0.04 -0.94 -3.94 1.64 5.12 -0.89 -4.89 116.66 112.81 1brz n ARG 43 Ca -0.00 0.16 -0.08 0.00 -1.93 0.00 0.00 57.85 55.99 1brz n ARG 43 Cb 0.70 -4.75 -0.08 0.00 -1.16 0.00 0.00 32.46 27.17 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1brz s ASN 44 N -3.23 0.25 -0.83 0.55 0.01 -1.26 -5.02 114.94 105.40 1brz s ASN 44 Ca 0.82 -0.76 -0.22 0.00 -0.71 0.00 0.00 52.86 51.98 1brz s ASN 44 Cb -0.48 0.29 0.08 0.00 0.41 0.00 0.00 41.25 41.55 1brz s ASN 44 CO 1.00 -0.68 1.17 -0.76 -1.51 0.00 0.00 177.10 176.33 1brz s LEU 45 N -2.85 4.18 0.05 0.60 1.43 -1.26 -2.95 118.68 117.88 1brz s LEU 45 Ca 0.05 -1.30 -0.18 0.00 -1.03 0.00 0.00 54.13 51.67 1brz s LEU 45 Cb 0.06 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 1brz s LEU 45 CO -0.10 -1.41 0.52 -1.10 0.23 0.00 0.00 176.35 174.48 1brz s GLN 46 N 4.15 4.12 -0.88 1.70 -0.21 0.83 -4.72 119.66 124.64 1brz s GLN 46 Ca 0.32 0.64 -0.23 0.00 0.02 0.00 0.00 55.36 56.12 1brz s GLN 46 Cb -0.08 -3.23 0.07 0.00 1.00 0.00 0.00 33.01 30.76 1brz s GLN 46 CO 0.01 0.65 1.25 0.00 -2.12 0.00 0.00 175.29 175.08 1brz s ILE 48 N 4.40 4.71 -0.38 0.00 1.01 0.32 -0.58 121.20 130.68 1brz s ILE 48 Ca 0.36 1.55 -0.16 0.00 0.00 0.00 0.00 60.65 62.40 1brz s ILE 48 Cb -0.06 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1brz s ILE 48 CO -0.01 -0.26 0.37 0.00 0.00 0.00 0.00 174.94 175.03 1brz s ASP 50 N 1.75 6.54 -0.24 0.00 2.15 0.30 -1.26 116.67 125.90 1brz s ASP 50 Ca 0.11 0.64 -0.04 0.00 0.43 0.00 0.00 52.55 53.68 1brz s ASP 50 Cb -0.17 -2.21 -0.17 0.00 -0.30 0.00 0.00 42.92 40.07 1brz s ASP 50 CO 0.12 0.14 -0.16 -1.22 -0.17 0.00 0.00 175.17 173.87 1brz n TYR 51 N 3.20 0.21 0.00 -5.34 4.02 0.17 -0.68 117.16 118.74 1brz n TYR 51 Ca -0.12 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1brz n TYR 51 Cb 0.52 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.82 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 4.07 -1.26 -4.96 120.64 118.49 1brz n GLU 53 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1brz n GLU 53 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73