#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 -0.09 -1.24 5.02 -1.26 -4.43 118.16 116.17 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 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 2.78 -0.15 0.00 1.02 -1.26 -0.67 119.74 121.46 1brz s LYS 5 Ca 0.00 -0.83 -0.07 0.00 0.02 0.00 0.00 55.97 55.09 1brz s LYS 5 Cb 0.00 -2.30 0.06 0.00 -0.52 0.00 0.00 37.83 35.07 1brz s LYS 5 CO 0.00 0.35 0.33 -1.59 -0.92 0.00 0.00 175.35 173.53 1brz s LYS 6 N -0.07 0.27 0.48 1.68 -2.85 -0.45 -4.95 119.74 113.85 1brz s LYS 6 Ca -0.05 0.76 -0.24 0.00 -1.00 0.00 0.00 55.97 55.44 1brz s LYS 6 Cb -0.14 0.02 -0.07 0.00 -2.06 0.00 0.00 37.83 35.58 1brz s LYS 6 CO 0.04 -0.21 1.38 0.14 0.10 0.00 0.00 175.35 176.81 1brz s VAL 7 N 1.87 2.15 -1.47 1.79 -7.23 -1.26 -1.17 120.40 115.08 1brz s VAL 7 Ca -0.05 0.12 -0.09 0.00 -1.81 0.00 0.00 61.98 60.15 1brz s VAL 7 Cb -0.11 -3.07 0.02 0.00 0.56 0.00 0.00 36.38 33.79 1brz s VAL 7 CO -0.11 0.01 2.58 0.00 -0.31 0.00 0.00 175.10 177.27 1brz n TYR 8 N -0.50 2.64 0.00 2.82 9.36 0.12 -4.85 117.16 126.75 1brz n TYR 8 Ca 0.07 -2.96 0.00 0.00 3.32 0.00 0.00 57.90 58.33 1brz n TYR 8 Cb 0.43 -2.21 0.00 0.00 -0.63 0.00 0.00 39.34 36.94 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 3.15 0.00 0.00 2.98 -0.58 -1.26 -1.17 120.64 123.77 1brz n GLU 9 Ca 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1brz n GLU 9 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.13 1brz n GLU 9 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1brz n ASN 10 N -2.59 0.00 -4.64 1.62 4.13 -1.26 -4.78 115.26 107.74 1brz n ASN 10 Ca 0.00 -1.14 -0.46 0.00 1.68 0.00 0.00 54.58 54.66 1brz n ASN 10 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 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 2.36 1.92 -1.23 3.10 9.36 -0.31 -4.59 117.16 127.75 1brz n TYR 11 Ca 0.00 0.50 -0.12 0.00 3.32 0.00 0.00 57.90 61.60 1brz n TYR 11 Cb 0.00 -2.41 -0.12 0.00 -0.63 0.00 0.00 39.34 36.18 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 2.02 0.00 0.00 2.98 -0.02 -1.26 -4.62 135.00 134.10 1brz n PRO 12 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1brz n PRO 12 Cb 0.29 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 1brz n PRO 12 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1brz n VAL 13 N 4.88 0.00 0.00 -1.45 3.14 -1.26 -3.88 118.33 119.76 1brz n VAL 13 Ca 0.36 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.74 1brz n VAL 13 Cb 0.29 -0.94 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 1brz n VAL 13 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1brz n SER 14 N -0.87 0.00 -4.62 6.55 3.41 -1.26 -4.63 113.62 112.20 1brz n SER 14 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1brz n SER 14 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1brz n SER 14 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1brz s LYS 15 N 0.00 3.64 -0.30 4.33 2.20 -1.25 -4.90 119.74 123.46 1brz s LYS 15 Ca 0.00 1.79 -0.14 0.00 -0.36 0.00 0.00 55.97 57.26 1brz s LYS 15 Cb 0.00 -4.14 0.18 0.00 -1.51 0.00 0.00 37.83 32.36 1brz s LYS 15 CO 0.00 -1.49 1.10 0.00 -0.36 0.00 0.00 175.35 174.60 1brz n GLN 17 N 5.44 3.29 -3.62 0.00 1.13 -1.26 -5.08 117.38 117.28 1brz n GLN 17 Ca -0.06 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.97 1brz n GLN 17 Cb 0.54 -0.42 0.02 0.00 0.11 0.00 0.00 30.24 30.50 1brz n GLN 17 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1brz n LEU 18 N -0.17 0.00 -4.58 1.08 4.77 -1.26 -5.07 117.00 111.77 1brz n LEU 18 Ca 0.00 -1.50 -0.45 0.00 -0.03 0.00 0.00 56.01 54.03 1brz n LEU 18 Cb 0.00 2.71 -0.04 0.00 -2.33 0.00 0.00 43.42 43.76 1brz n LEU 18 CO 0.00 -0.50 1.78 0.00 -1.33 0.00 0.00 177.39 177.34 1brz n ALA 19 N -0.95 1.52 -2.00 -1.18 0.00 -1.26 -4.55 120.51 112.09 1brz n ALA 19 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1brz n ALA 19 Cb 0.53 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 10.36 0.00 -0.03 0.00 4.05 -1.26 -4.94 115.26 123.44 1brz n ASN 20 Ca 0.31 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 55.23 1brz n ASN 20 Cb 0.38 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.34 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 -0.39 0.38 1.20 1.08 -1.93 0.17 115.11 115.62 1brz h GLN 21 Ca 0.00 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1brz h GLN 21 Cb 0.00 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1brz h GLN 21 CO 0.00 -0.26 -0.39 0.00 -0.95 0.00 0.00 178.83 177.23 1brz h ASN 23 N -0.79 -0.81 -0.59 0.00 -0.00 -1.60 0.13 115.58 111.91 1brz h ASN 23 Ca -0.03 0.08 0.11 0.00 -0.00 0.00 0.00 56.30 56.47 1brz h ASN 23 Cb 0.71 0.30 -0.09 0.00 -0.00 0.00 0.00 38.32 39.25 1brz h ASN 23 CO -0.07 -0.29 0.11 0.22 -0.00 0.00 0.00 177.43 177.39 1brz h TYR 24 N -0.40 0.17 0.12 0.67 3.20 -0.65 0.11 116.97 120.19 1brz h TYR 24 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1brz h TYR 24 Cb 0.40 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1brz h TYR 24 CO -0.36 -0.05 -0.28 -0.44 -1.64 0.00 0.00 178.16 175.40 1brz h ASP 25 N 0.24 -0.82 -0.42 -2.11 3.32 0.97 -2.20 116.42 115.39 1brz h ASP 25 Ca 0.31 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.53 1brz h ASP 25 Cb 0.46 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 40.23 1brz h ASP 25 CO -0.41 -0.31 -0.12 0.00 -1.72 0.00 0.00 179.24 176.67 1brz n LYS 27 N -5.33 0.09 0.00 0.00 4.81 0.36 -1.26 118.16 116.83 1brz n LYS 27 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1brz n LYS 27 Cb 0.24 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.27 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 -0.03 0.00 -0.04 3.14 -0.00 0.71 -4.68 117.00 116.10 1brz n LEU 28 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1brz n LEU 28 Cb 0.01 0.04 -0.07 0.00 -0.00 0.00 0.00 43.42 43.40 1brz n LEU 28 CO 0.00 -0.04 0.70 0.44 -0.00 0.00 0.00 177.39 178.49 1brz h ASP 29 N 0.00 0.25 -0.47 1.96 5.19 0.83 -3.16 116.42 121.03 1brz h ASP 29 Ca 0.00 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1brz h ASP 29 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1brz h ASP 29 CO 0.00 0.56 0.00 0.29 -3.12 0.00 0.00 179.24 176.97 1brz n LYS 30 N -4.73 2.53 -3.26 3.56 5.02 -1.18 -4.95 118.16 115.16 1brz n LYS 30 Ca -0.06 -2.35 -0.24 0.00 -2.02 0.00 0.00 58.31 53.65 1brz n LYS 30 Cb 0.25 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.80 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1brz n HIS 31 N 1.45 -2.19 -1.98 2.13 8.25 -1.15 -4.98 115.22 116.75 1brz n HIS 31 Ca 0.20 0.66 -0.13 0.00 -0.26 0.00 0.00 57.72 58.19 1brz n HIS 31 Cb 0.59 -4.41 0.08 0.00 1.12 0.00 0.00 29.99 27.37 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 -3.97 -0.29 -0.01 -1.41 0.00 -0.39 -4.91 120.51 109.53 1brz n ALA 32 Ca -0.06 -0.91 -0.01 0.00 0.00 0.00 0.00 53.44 52.46 1brz n ALA 32 Cb 0.59 0.07 -0.11 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.12 0.64 -0.75 0.00 3.00 0.97 -4.47 116.66 113.93 1brz n ARG 33 Ca 0.08 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1brz n ARG 33 Cb 0.29 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.05 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 -2.77 0.00 0.00 6.15 3.41 -0.05 -4.85 113.62 115.51 1brz n SER 34 Ca -0.14 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1brz n SER 34 Cb 0.88 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 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 0.26 3.61 5.00 0.00 -1.26 -0.16 105.19 112.64 1brz n GLY 35 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.99 0.23 0.08 1.61 2.12 0.05 -3.93 118.70 116.87 1brz s GLU 36 Ca 0.00 -0.11 -0.24 0.00 0.36 0.00 0.00 54.97 54.99 1brz s GLU 36 Cb 0.00 0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.42 1brz s GLU 36 CO 0.00 -0.10 0.73 0.00 -0.54 0.00 0.00 175.26 175.35 1brz s PHE 38 N -0.51 0.28 0.80 0.00 0.08 -0.14 -4.93 117.98 113.56 1brz s PHE 38 Ca 0.36 -0.69 -0.08 0.00 0.12 0.00 0.00 56.93 56.65 1brz s PHE 38 Cb -0.21 -0.08 0.14 0.00 -0.57 0.00 0.00 43.02 42.29 1brz s PHE 38 CO 0.23 -0.60 1.12 0.71 -0.10 0.00 0.00 175.22 176.57 1brz s TYR 39 N -3.91 1.91 0.46 0.36 1.51 -1.26 0.44 117.35 116.87 1brz s TYR 39 Ca 0.10 0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.34 1brz s TYR 39 Cb 0.04 -3.45 -0.00 0.00 -0.11 0.00 0.00 41.96 38.44 1brz s TYR 39 CO -0.06 -1.97 0.35 0.16 -1.11 0.00 0.00 175.55 172.91 1brz s ASP 40 N -4.74 4.76 0.00 2.29 -4.77 -1.25 -4.79 116.67 108.16 1brz s ASP 40 Ca 0.68 -1.00 0.00 0.00 -3.30 0.00 0.00 52.55 48.92 1brz s ASP 40 Cb -0.06 -0.18 0.00 0.00 -1.09 0.00 0.00 42.92 41.59 1brz s ASP 40 CO 0.47 -0.80 0.23 -0.62 0.70 0.00 0.00 175.17 175.15 1brz n GLU 41 N -1.57 0.26 0.00 2.11 4.71 -1.26 -3.60 120.64 121.29 1brz n GLU 41 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1brz n GLU 41 Cb 0.63 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 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 0.77 0.00 0.00 3.49 5.02 -1.26 -5.10 118.16 121.08 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 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 1brz n LYS 42 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1brz n ARG 43 N -1.88 0.00 0.00 1.97 0.63 -1.24 -5.18 116.66 110.97 1brz n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1brz n ARG 43 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1brz n ASN 44 N 0.00 0.00 -3.75 6.15 3.02 -1.26 -4.93 115.26 114.49 1brz n ASN 44 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1brz n ASN 44 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.64 -0.09 3.41 1.02 -1.26 -3.92 118.68 118.48 1brz s LEU 45 Ca 0.00 0.64 -0.09 0.00 0.02 0.00 0.00 54.13 54.70 1brz s LEU 45 Cb 0.00 1.03 0.03 0.00 0.02 0.00 0.00 46.19 47.27 1brz s LEU 45 CO 0.00 -0.13 0.25 -1.10 0.02 0.00 0.00 176.35 175.39 1brz s GLN 46 N 0.50 0.29 -0.71 1.70 -0.21 0.17 -4.93 119.66 116.48 1brz s GLN 46 Ca -0.03 0.35 -0.26 0.00 0.02 0.00 0.00 55.36 55.45 1brz s GLN 46 Cb -0.04 0.13 0.04 0.00 1.00 0.00 0.00 33.01 34.14 1brz s GLN 46 CO -0.03 -0.04 1.17 0.00 -2.12 0.00 0.00 175.29 174.28 1brz s ILE 48 N 5.17 4.46 -0.31 0.00 -1.09 0.72 0.14 121.20 130.29 1brz s ILE 48 Ca 0.31 1.16 -0.16 0.00 -2.23 0.00 0.00 60.65 59.73 1brz s ILE 48 Cb -0.11 -4.43 -0.02 0.00 -1.58 0.00 0.00 42.46 36.32 1brz s ILE 48 CO 0.14 -0.71 0.40 0.00 -1.23 0.00 0.00 174.94 173.53 1brz s ASP 50 N 1.69 6.63 -0.04 0.00 1.01 0.77 -1.34 116.67 125.40 1brz s ASP 50 Ca 0.15 0.76 0.06 0.00 0.71 0.00 0.00 52.55 54.22 1brz s ASP 50 Cb -0.16 -2.17 -0.08 0.00 1.01 0.00 0.00 42.92 41.52 1brz s ASP 50 CO 0.11 0.23 0.06 -1.22 0.21 0.00 0.00 175.17 174.57 1brz n TYR 51 N 1.20 0.00 0.00 4.23 4.02 0.16 -0.02 117.16 126.74 1brz n TYR 51 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1brz n TYR 51 Cb 0.53 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 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 -2.65 0.00 0.00 0.00 -1.26 -4.89 120.64 111.84 1brz n GLU 53 Ca 0.00 1.97 0.10 0.00 0.00 0.00 0.00 57.16 59.23 1brz n GLU 53 Cb 0.00 -2.66 0.08 0.00 0.00 0.00 0.00 31.44 28.87 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79