#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 2.44 0.00 0.11 1.02 -1.26 -5.00 119.74 117.05 1brz s LYS 3 Ca 0.00 -0.65 0.16 0.00 0.02 0.00 0.00 55.97 55.50 1brz s LYS 3 Cb 0.00 -2.00 0.47 0.00 -0.52 0.00 0.00 37.83 35.77 1brz s LYS 3 CO 0.00 -0.01 1.37 0.00 -0.92 0.00 0.00 175.35 175.79 1brz s LYS 5 N -1.51 0.71 -0.19 0.00 0.00 -1.26 -0.89 119.74 116.59 1brz s LYS 5 Ca 0.30 -0.94 -0.06 0.00 0.00 0.00 0.00 55.97 55.27 1brz s LYS 5 Cb 0.16 0.28 0.09 0.00 0.00 0.00 0.00 37.83 38.36 1brz s LYS 5 CO 0.22 -0.19 0.40 0.21 0.00 0.00 0.00 175.35 175.98 1brz s LYS 6 N -3.45 0.30 0.34 1.78 2.47 -0.01 -4.95 119.74 116.22 1brz s LYS 6 Ca 0.02 0.97 -0.29 0.00 -1.56 0.00 0.00 55.97 55.11 1brz s LYS 6 Cb 0.04 0.23 -0.11 0.00 -1.46 0.00 0.00 37.83 36.53 1brz s LYS 6 CO -0.09 -0.28 1.42 0.14 0.16 0.00 0.00 175.35 176.71 1brz s VAL 7 N 2.59 2.35 -0.80 4.02 -7.23 -1.26 -1.34 120.40 118.73 1brz s VAL 7 Ca -0.00 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1brz s VAL 7 Cb -0.12 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.60 1brz s VAL 7 CO -0.12 0.08 0.56 0.00 -0.31 0.00 0.00 175.10 175.30 1brz n TYR 8 N 0.87 0.00 -0.44 2.82 4.19 0.04 -4.64 117.16 120.00 1brz n TYR 8 Ca 0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.23 1brz n TYR 8 Cb 0.40 -0.15 0.00 0.00 0.49 0.00 0.00 39.34 40.08 1brz n TYR 8 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1brz n GLU 9 N -1.06 0.00 0.00 2.98 1.02 -1.26 -4.63 120.64 117.69 1brz n GLU 9 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1brz n GLU 9 Cb 0.12 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1brz n GLU 9 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1brz n ASN 10 N 0.00 0.00 -4.64 1.62 5.15 -1.26 -5.10 115.26 111.04 1brz n ASN 10 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 1brz n ASN 10 Cb 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.27 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1brz n TYR 11 N 0.00 1.40 -0.00 1.20 9.36 -1.26 -4.70 117.16 123.16 1brz n TYR 11 Ca 0.00 0.53 -0.00 0.00 3.32 0.00 0.00 57.90 61.75 1brz n TYR 11 Cb 0.00 -2.26 -0.00 0.00 -0.63 0.00 0.00 39.34 36.45 1brz n TYR 11 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1brz n PRO 12 N -0.01 0.01 -0.37 2.98 -0.04 -1.26 -4.75 135.00 131.56 1brz n PRO 12 Ca 0.09 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1brz n PRO 12 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 2.00 0.00 -1.24 0.52 0.31 -1.26 -4.63 118.33 114.03 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 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.45 -0.02 -3.15 4.52 3.41 -1.26 -5.02 113.62 112.55 1brz n SER 14 Ca 0.00 -0.23 0.05 0.00 -0.26 0.00 0.00 58.87 58.43 1brz n SER 14 Cb 0.00 0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.22 0.00 4.33 1.02 -1.26 -5.01 119.74 119.04 1brz s LYS 15 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1brz s LYS 15 Cb 0.00 0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 1brz s LYS 15 CO 0.00 -0.39 0.00 0.00 -0.92 0.00 0.00 175.35 174.04 1brz n GLN 17 N 0.00 1.96 0.00 0.00 6.02 -1.26 -4.51 117.38 119.59 1brz n GLN 17 Ca 0.00 -1.02 0.00 0.00 -0.01 0.00 0.00 57.00 55.97 1brz n GLN 17 Cb 0.13 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.37 1brz n GLN 17 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1brz n LEU 18 N 2.66 0.00 0.00 1.08 4.32 -1.26 -5.09 117.00 118.70 1brz n LEU 18 Ca 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1brz n LEU 18 Cb 0.78 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 1brz n LEU 18 CO 0.20 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.37 1brz n ALA 19 N -3.00 0.00 0.09 -1.18 0.00 -1.26 -5.01 120.51 110.14 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 -0.03 0.00 0.00 4.05 -1.26 -4.66 115.26 113.36 1brz n ASN 20 Ca 0.00 0.30 0.00 0.00 0.45 0.00 0.00 54.58 55.33 1brz n ASN 20 Cb 0.00 0.22 0.00 0.00 1.23 0.00 0.00 39.78 41.23 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 -3.14 0.00 -0.14 1.20 -0.06 -1.26 0.92 117.38 114.91 1brz n GLN 21 Ca 0.00 0.88 -0.09 0.00 -2.00 0.00 0.00 57.00 55.79 1brz n GLN 21 Cb 0.00 -1.38 -0.00 0.00 -4.06 0.00 0.00 30.24 24.80 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 0.51 -0.44 -0.41 0.00 -1.24 -1.64 0.13 115.58 112.49 1brz h ASN 23 Ca 0.14 0.05 0.09 0.00 0.71 0.00 0.00 56.30 57.28 1brz h ASN 23 Cb 0.14 0.17 -0.08 0.00 0.73 0.00 0.00 38.32 39.28 1brz h ASN 23 CO -0.02 -0.15 -0.15 0.22 -1.29 0.00 0.00 177.43 176.05 1brz h TYR 24 N -0.19 -0.35 -0.71 0.67 3.20 0.50 0.21 116.97 120.30 1brz h TYR 24 Ca 0.00 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.01 1brz h TYR 24 Cb 0.20 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 38.57 1brz h TYR 24 CO -0.38 -0.23 -0.47 -0.44 -1.64 0.00 0.00 178.16 175.00 1brz h ASP 25 N -0.06 -1.66 -0.51 -2.11 5.19 -0.87 0.53 116.42 116.93 1brz h ASP 25 Ca 0.20 0.27 0.03 0.00 -0.62 0.00 0.00 57.03 56.91 1brz h ASP 25 Cb 0.37 0.76 -0.04 0.00 0.18 0.00 0.00 39.33 40.60 1brz h ASP 25 CO -0.46 -0.32 0.30 0.00 -3.12 0.00 0.00 179.24 175.64 1brz n LYS 27 N -4.81 0.00 0.00 0.00 4.81 0.17 0.26 118.16 118.59 1brz n LYS 27 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1brz n LYS 27 Cb 0.08 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.66 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 -0.90 0.00 0.00 3.14 7.94 0.58 -4.60 117.00 123.16 1brz n LEU 28 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1brz n LEU 28 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1brz n LEU 28 CO 0.00 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.75 1brz n ASP 29 N 0.00 0.00 -0.16 1.96 9.92 -0.97 0.30 116.55 127.60 1brz n ASP 29 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1brz n ASP 29 Cb 0.00 0.00 0.48 0.00 -0.64 0.00 0.00 41.12 40.96 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 0.00 0.68 -2.35 -1.24 4.01 -1.24 -4.93 118.16 113.09 1brz n LYS 30 Ca 0.00 -0.33 -0.01 0.00 -0.51 0.00 0.00 58.31 57.46 1brz n LYS 30 Cb 0.00 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.03 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1brz n HIS 31 N -0.87 -0.09 -2.47 2.13 8.25 0.88 -5.07 115.22 117.98 1brz n HIS 31 Ca 0.12 0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.37 1brz n HIS 31 Cb 0.32 -1.15 0.14 0.00 1.12 0.00 0.00 29.99 30.41 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 -2.03 -0.16 -0.08 -1.41 0.00 0.14 -4.89 120.51 112.08 1brz n ALA 32 Ca -0.00 -1.91 -0.07 0.00 0.00 0.00 0.00 53.44 51.46 1brz n ALA 32 Cb 0.50 0.24 -0.16 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.04 0.68 0.00 0.00 1.74 0.05 -3.96 116.66 112.14 1brz n ARG 33 Ca 0.16 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1brz n ARG 33 Cb 0.59 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1brz n SER 34 N -2.70 0.00 0.00 0.55 3.41 0.36 -4.62 113.62 110.62 1brz n SER 34 Ca -0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1brz n SER 34 Cb 1.08 0.00 0.00 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 0.00 -2.00 3.61 5.00 0.00 -1.26 0.80 105.19 111.34 1brz n GLY 35 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.77 0.23 0.23 1.61 2.12 -0.12 -4.74 118.70 116.26 1brz s GLU 36 Ca 0.00 -0.06 -0.13 0.00 0.36 0.00 0.00 54.97 55.13 1brz s GLU 36 Cb 0.00 0.11 -0.08 0.00 0.26 0.00 0.00 34.13 34.42 1brz s GLU 36 CO 0.00 -0.10 0.61 0.00 -0.54 0.00 0.00 175.26 175.24 1brz s PHE 38 N -1.72 0.11 0.05 0.00 0.40 -0.26 -4.94 117.98 111.62 1brz s PHE 38 Ca 0.46 0.07 -0.19 0.00 -0.60 0.00 0.00 56.93 56.66 1brz s PHE 38 Cb -0.13 -0.24 -0.06 0.00 0.51 0.00 0.00 43.02 43.10 1brz s PHE 38 CO 0.20 -0.08 0.55 0.71 0.70 0.00 0.00 175.22 177.30 1brz s TYR 39 N 0.81 3.78 -1.19 0.36 1.51 -1.26 -1.03 117.35 120.33 1brz s TYR 39 Ca -0.07 1.22 -0.10 0.00 -1.01 0.00 0.00 57.07 57.11 1brz s TYR 39 Cb -0.10 -2.49 0.22 0.00 -0.11 0.00 0.00 41.96 39.48 1brz s TYR 39 CO -0.02 0.56 1.47 -0.40 -1.11 0.00 0.00 175.55 176.05 1brz n ASP 40 N 1.89 5.43 -1.90 2.29 5.75 -0.97 -4.77 116.55 124.28 1brz n ASP 40 Ca -0.10 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.59 1brz n ASP 40 Cb 0.51 -1.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.14 1brz n ASP 40 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1brz n GLU 41 N 3.94 -0.95 0.07 0.11 0.28 -1.26 -4.27 120.64 118.55 1brz n GLU 41 Ca 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1brz n GLU 41 Cb 0.39 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.26 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 -0.71 0.00 0.00 3.44 5.02 -1.26 -5.06 118.16 119.58 1brz n LYS 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1brz n LYS 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1brz n ARG 43 N -2.92 0.00 -2.35 1.97 5.12 -1.26 -5.15 116.66 112.07 1brz n ARG 43 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 1brz n ARG 43 Cb 0.00 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.38 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 0.00 4.66 0.22 0.55 0.01 -1.26 -4.94 114.94 114.18 1brz s ASN 44 Ca 0.00 0.16 -0.11 0.00 -0.71 0.00 0.00 52.86 52.21 1brz s ASN 44 Cb 0.00 -0.75 -0.01 0.00 0.41 0.00 0.00 41.25 40.90 1brz s ASN 44 CO 0.00 -1.66 0.40 -1.48 -1.51 0.00 0.00 177.10 172.85 1brz s LEU 45 N -5.18 0.54 0.00 0.60 -0.00 -1.26 -2.28 118.68 111.10 1brz s LEU 45 Ca 0.62 -0.97 0.02 0.00 -0.00 0.00 0.00 54.13 53.80 1brz s LEU 45 Cb -0.09 1.48 -0.01 0.00 -0.00 0.00 0.00 46.19 47.58 1brz s LEU 45 CO 0.44 -1.05 -0.06 -1.10 -0.00 0.00 0.00 176.35 174.58 1brz s GLN 46 N -4.02 0.45 -0.55 1.48 -0.21 -0.20 -4.70 119.66 111.90 1brz s GLN 46 Ca 0.23 -0.28 -0.20 0.00 0.02 0.00 0.00 55.36 55.13 1brz s GLN 46 Cb 0.01 -0.40 0.07 0.00 1.00 0.00 0.00 33.01 33.69 1brz s GLN 46 CO 0.07 0.10 0.73 0.00 -2.12 0.00 0.00 175.29 174.08 1brz s ILE 48 N 2.99 4.83 -0.33 0.00 1.01 0.14 -0.78 121.20 129.06 1brz s ILE 48 Ca 0.17 1.61 -0.19 0.00 0.00 0.00 0.00 60.65 62.24 1brz s ILE 48 Cb -0.19 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1brz s ILE 48 CO 0.11 -0.08 0.54 0.00 0.00 0.00 0.00 174.94 175.51 1brz s ASP 50 N 1.72 6.54 -0.08 0.00 1.01 0.24 -0.83 116.67 125.26 1brz s ASP 50 Ca 0.20 0.65 0.18 0.00 0.71 0.00 0.00 52.55 54.29 1brz s ASP 50 Cb -0.15 -2.31 0.64 0.00 1.01 0.00 0.00 42.92 42.11 1brz s ASP 50 CO 0.13 -0.31 1.54 -1.22 0.21 0.00 0.00 175.17 175.51 1brz n TYR 51 N 5.49 1.25 0.00 4.23 4.02 -0.07 -0.48 117.16 131.60 1brz n TYR 51 Ca -0.02 -0.52 0.00 0.00 -0.01 0.00 0.00 57.90 57.35 1brz n TYR 51 Cb 0.49 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 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 -0.58 -1.26 -4.87 120.64 113.92 1brz n GLU 53 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1brz n GLU 53 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31