#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 0.30 -0.03 -0.67 4.76 -1.26 -5.06 118.16 116.20 1brz n LYS 3 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1brz n LYS 3 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1brz s LYS 5 N -2.10 3.59 -0.17 0.00 0.00 -1.26 -0.91 119.74 118.89 1brz s LYS 5 Ca -0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 55.97 55.74 1brz s LYS 5 Cb 0.02 -3.03 0.08 0.00 0.00 0.00 0.00 37.83 34.91 1brz s LYS 5 CO 0.11 0.60 0.37 0.15 0.00 0.00 0.00 175.35 176.57 1brz s LYS 6 N -2.01 0.27 0.62 1.78 1.02 -0.12 -4.99 119.74 116.31 1brz s LYS 6 Ca 0.31 0.91 -0.18 0.00 0.02 0.00 0.00 55.97 57.03 1brz s LYS 6 Cb -0.13 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.33 1brz s LYS 6 CO 0.19 -0.25 1.18 0.14 -0.92 0.00 0.00 175.35 175.69 1brz s VAL 7 N 2.39 2.73 -1.21 3.17 -7.23 -1.26 -1.38 120.40 117.61 1brz s VAL 7 Ca -0.02 0.43 -0.17 0.00 -1.81 0.00 0.00 61.98 60.41 1brz s VAL 7 Cb -0.12 -3.10 0.11 0.00 0.56 0.00 0.00 36.38 33.83 1brz s VAL 7 CO -0.11 -0.13 1.56 -0.47 -0.31 0.00 0.00 175.10 175.64 1brz s TYR 8 N -1.78 3.02 -0.33 2.82 6.14 0.90 -4.85 117.35 123.27 1brz s TYR 8 Ca 0.75 -1.69 -0.29 0.00 0.64 0.00 0.00 57.07 56.48 1brz s TYR 8 Cb -0.28 -4.57 -0.32 0.00 0.42 0.00 0.00 41.96 37.21 1brz s TYR 8 CO 0.35 -1.66 1.74 -0.85 0.64 0.00 0.00 175.55 175.76 1brz n GLU 9 N 7.41 0.25 0.00 4.97 0.28 -1.26 -3.85 120.64 128.44 1brz n GLU 9 Ca 0.41 -1.28 0.00 0.00 -0.16 0.00 0.00 57.16 56.13 1brz n GLU 9 Cb 0.46 -2.85 0.00 0.00 1.43 0.00 0.00 31.44 30.47 1brz n GLU 9 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1brz n ASN 10 N 10.99 0.00 -3.65 -1.84 5.15 -1.26 -5.19 115.26 119.45 1brz n ASN 10 Ca 0.46 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.45 1brz n ASN 10 Cb 0.43 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.61 1brz n ASN 10 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1brz s TYR 11 N 0.00 -0.03 -0.17 1.20 5.04 -1.25 -5.12 117.35 117.02 1brz s TYR 11 Ca 0.00 0.07 -0.29 0.00 -2.44 0.00 0.00 57.07 54.41 1brz s TYR 11 Cb 0.00 0.22 -0.00 0.00 0.35 0.00 0.00 41.96 42.53 1brz s TYR 11 CO 0.00 -0.02 1.04 -1.25 -1.34 0.00 0.00 175.55 173.99 1brz s PRO 12 N 0.60 4.33 0.00 4.97 0.04 -1.26 -4.89 135.00 138.80 1brz s PRO 12 Ca -0.02 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 1brz s PRO 12 Cb -0.03 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.90 1brz s PRO 12 CO -0.12 -0.49 0.31 0.28 0.04 0.00 0.00 177.00 177.01 1brz n VAL 13 N 4.96 0.14 0.00 -0.36 0.31 -1.26 -4.58 118.33 117.53 1brz n VAL 13 Ca 0.11 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1brz n VAL 13 Cb 0.47 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 2.31 0.00 -0.67 4.52 3.41 -1.26 -4.03 113.62 117.90 1brz n SER 14 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1brz n SER 14 Cb 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1brz n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1brz n LYS 15 N 0.00 0.38 0.24 4.33 5.02 -1.26 -3.62 118.16 123.25 1brz n LYS 15 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1brz n LYS 15 Cb 0.00 -1.23 0.61 0.00 -0.02 0.00 0.00 35.03 34.39 1brz n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1brz n GLN 17 N -3.75 0.37 -3.61 0.00 6.02 -1.24 -4.45 117.38 110.73 1brz n GLN 17 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.95 1brz n GLN 17 Cb 0.29 -1.05 -0.05 0.00 1.02 0.00 0.00 30.24 30.45 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 -0.73 -0.91 -0.36 1.08 1.43 -0.93 -5.11 118.68 113.15 1brz s LEU 18 Ca 0.00 1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 54.13 1brz s LEU 18 Cb 0.00 2.15 -0.08 0.00 0.03 0.00 0.00 46.19 48.29 1brz s LEU 18 CO 0.00 -0.20 2.28 0.00 0.23 0.00 0.00 176.35 178.67 1brz n ALA 19 N 4.80 1.28 -1.00 4.21 0.00 -1.26 -4.34 120.51 124.19 1brz n ALA 19 Ca -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1brz n ALA 19 Cb 0.54 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 11.98 0.00 -0.07 0.00 4.05 -1.26 -4.94 115.26 125.02 1brz n ASN 20 Ca 0.37 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 55.32 1brz n ASN 20 Cb 0.38 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.33 1brz n ASN 20 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1brz h GLN 21 N 0.00 -0.22 0.09 1.20 5.75 -1.81 0.34 115.11 120.46 1brz h GLN 21 Ca 0.00 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1brz h GLN 21 Cb 0.00 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 1brz h GLN 21 CO 0.00 -0.14 -0.21 0.00 -2.65 0.00 0.00 178.83 175.83 1brz n ASN 23 N -5.34 0.00 -0.28 0.00 2.85 -1.00 -0.80 115.26 110.69 1brz n ASN 23 Ca -0.06 0.87 0.10 0.00 -0.11 0.00 0.00 54.58 55.37 1brz n ASN 23 Cb 0.25 -0.37 0.25 0.00 1.24 0.00 0.00 39.78 41.14 1brz n ASN 23 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1brz h TYR 24 N 0.00 0.40 0.00 1.20 3.20 -0.38 0.36 116.97 121.75 1brz h TYR 24 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1brz h TYR 24 Cb 0.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1brz h TYR 24 CO -0.19 -0.11 0.00 -0.25 -1.64 0.00 0.00 178.16 175.97 1brz n ASP 25 N -5.15 0.00 -0.22 -2.11 9.92 0.63 -2.55 116.55 117.08 1brz n ASP 25 Ca 0.18 0.76 0.20 0.00 -0.53 0.00 0.00 54.79 55.41 1brz n ASP 25 Cb 0.57 -0.26 0.54 0.00 -0.64 0.00 0.00 41.12 41.33 1brz n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1brz n LYS 27 N -4.47 0.00 0.00 0.00 4.81 0.13 -0.53 118.16 118.09 1brz n LYS 27 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1brz n LYS 27 Cb 0.71 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.33 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 -0.91 0.00 -0.03 3.14 7.94 0.15 -4.48 117.00 122.81 1brz n LEU 28 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1brz n LEU 28 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1brz n LEU 28 CO 0.00 0.00 0.61 0.44 -1.11 0.00 0.00 177.39 177.33 1brz h ASP 29 N 0.00 0.14 -0.61 1.96 5.19 0.58 -3.20 116.42 120.49 1brz h ASP 29 Ca 0.00 -0.50 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1brz h ASP 29 Cb 0.00 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1brz h ASP 29 CO 0.00 0.61 0.00 0.29 -3.12 0.00 0.00 179.24 177.02 1brz n LYS 30 N -4.73 4.48 -3.73 3.56 4.76 -1.20 -4.93 118.16 116.37 1brz n LYS 30 Ca -0.08 -3.08 -0.24 0.00 -2.87 0.00 0.00 58.31 52.04 1brz n LYS 30 Cb 0.30 -2.13 0.04 0.00 -1.84 0.00 0.00 35.03 31.40 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 0.82 -2.25 -0.76 2.13 8.25 -1.21 -4.99 115.22 117.21 1brz n HIS 31 Ca 0.27 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.64 1brz n HIS 31 Cb 1.09 -4.44 0.00 0.00 1.12 0.00 0.00 29.99 27.76 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 -4.53 0.00 0.00 -1.41 0.00 0.31 -4.94 120.51 109.94 1brz n ALA 32 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1brz n ALA 32 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.02 1.69 -3.19 0.00 0.63 0.16 -4.68 116.66 111.25 1brz n ARG 33 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 1brz n ARG 33 Cb 0.00 -0.52 -0.04 0.00 0.45 0.00 0.00 32.46 32.34 1brz n ARG 33 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1brz s SER 34 N -0.83 -0.08 0.53 6.15 1.04 0.98 -4.95 113.70 116.54 1brz s SER 34 Ca 0.00 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.55 1brz s SER 34 Cb 0.00 1.09 0.00 0.00 0.10 0.00 0.00 66.02 67.21 1brz s SER 34 CO 0.00 -0.02 0.04 -0.83 0.98 0.00 0.00 173.24 173.42 1brz s GLY 35 N 2.04 3.02 -0.29 7.32 0.00 -1.26 0.12 107.32 118.26 1brz s GLY 35 Ca 0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.19 1brz s GLY 35 CO -0.16 -2.18 1.39 -0.54 0.00 0.00 0.00 173.10 171.61 1brz s GLU 36 N -3.94 0.06 -0.06 2.90 0.41 0.30 -4.71 118.70 113.67 1brz s GLU 36 Ca 0.05 0.04 -0.22 0.00 -0.41 0.00 0.00 54.97 54.43 1brz s GLU 36 Cb 0.00 0.03 -0.04 0.00 -1.78 0.00 0.00 34.13 32.34 1brz s GLU 36 CO 0.03 -0.01 0.64 0.00 -0.49 0.00 0.00 175.26 175.43 1brz s PHE 38 N 0.50 0.78 0.03 0.00 0.08 -0.24 -4.94 117.98 114.19 1brz s PHE 38 Ca 0.34 -1.06 -0.23 0.00 0.12 0.00 0.00 56.93 56.09 1brz s PHE 38 Cb -0.18 -0.14 -0.05 0.00 -0.57 0.00 0.00 43.02 42.08 1brz s PHE 38 CO 0.17 -0.88 0.71 0.71 -0.10 0.00 0.00 175.22 175.83 1brz s TYR 39 N -3.93 3.71 0.00 0.36 1.51 -1.26 -0.40 117.35 117.35 1brz s TYR 39 Ca 0.30 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.74 1brz s TYR 39 Cb 0.02 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.12 1brz s TYR 39 CO 0.12 0.29 0.00 -0.40 -1.11 0.00 0.00 175.55 174.45 1brz n ASP 40 N 2.81 0.00 -3.56 2.29 5.75 0.49 -4.89 116.55 119.45 1brz n ASP 40 Ca -0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.31 1brz n ASP 40 Cb 0.50 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.48 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 -0.68 0.00 -2.96 0.11 4.71 -1.25 -4.11 120.64 116.46 1brz n GLU 41 Ca 0.00 -1.02 -0.09 0.00 -0.01 0.00 0.00 57.16 56.04 1brz n GLU 41 Cb 0.00 -2.55 0.01 0.00 -1.01 0.00 0.00 31.44 27.89 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1brz n LYS 42 N 7.94 -2.39 -1.45 3.49 4.01 -1.26 -2.96 118.16 125.55 1brz n LYS 42 Ca 0.46 2.05 -0.16 0.00 -0.51 0.00 0.00 58.31 60.15 1brz n LYS 42 Cb 0.42 -4.29 -0.07 0.00 -0.51 0.00 0.00 35.03 30.58 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1brz n ARG 43 N 0.32 -1.50 -3.26 1.97 5.12 -1.26 -4.93 116.66 113.13 1brz n ARG 43 Ca 0.03 1.01 -0.41 0.00 -1.93 0.00 0.00 57.85 56.55 1brz n ARG 43 Cb 0.34 -5.35 -0.08 0.00 -1.16 0.00 0.00 32.46 26.21 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 -2.47 6.32 -0.91 0.55 0.02 -1.16 -4.86 114.94 112.43 1brz s ASN 44 Ca 0.00 0.04 -0.23 0.00 -1.02 0.00 0.00 52.86 51.65 1brz s ASN 44 Cb 0.00 -2.26 0.06 0.00 0.02 0.00 0.00 41.25 39.07 1brz s ASN 44 CO 0.00 -0.44 1.30 -0.22 0.02 0.00 0.00 177.10 177.76 1brz s LEU 45 N 2.35 3.83 0.00 0.60 2.96 -1.26 -0.38 118.68 126.79 1brz s LEU 45 Ca 0.18 -1.32 0.09 0.00 -0.22 0.00 0.00 54.13 52.86 1brz s LEU 45 Cb -0.16 -2.52 0.09 0.00 0.50 0.00 0.00 46.19 44.10 1brz s LEU 45 CO 0.13 -1.48 0.71 0.00 -1.32 0.00 0.00 176.35 174.38 1brz n GLN 46 N 8.40 0.64 -3.53 1.98 1.13 0.46 -4.79 117.38 121.67 1brz n GLN 46 Ca 0.21 -2.91 -0.42 0.00 -1.94 0.00 0.00 57.00 51.95 1brz n GLN 46 Cb 0.50 -0.17 -0.09 0.00 0.11 0.00 0.00 30.24 30.59 1brz n GLN 46 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1brz s ILE 48 N 1.48 4.64 -0.28 0.00 1.09 0.25 -0.07 121.20 128.31 1brz s ILE 48 Ca 0.04 0.37 -0.14 0.00 -1.10 0.00 0.00 60.65 59.81 1brz s ILE 48 Cb -0.24 -4.33 -0.04 0.00 -1.06 0.00 0.00 42.46 36.79 1brz s ILE 48 CO 0.03 -0.75 0.33 0.00 -0.10 0.00 0.00 174.94 174.45 1brz s ASP 50 N 1.69 6.68 -0.02 0.00 2.15 0.32 -0.94 116.67 126.54 1brz s ASP 50 Ca 0.13 0.80 0.18 0.00 0.43 0.00 0.00 52.55 54.09 1brz s ASP 50 Cb -0.16 -2.22 -0.26 0.00 -0.30 0.00 0.00 42.92 39.98 1brz s ASP 50 CO 0.10 0.26 0.47 -1.22 -0.17 0.00 0.00 175.17 174.61 1brz n TYR 51 N 2.37 0.00 0.00 -5.34 4.02 -0.09 0.40 117.16 118.52 1brz n TYR 51 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 1brz n TYR 51 Cb 0.52 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 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 0.28 -1.26 -4.74 120.64 114.92 1brz n GLU 53 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1brz n GLU 53 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63