#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 0.00 -0.67 5.02 -1.26 -4.94 118.16 116.31 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 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -1.09 3.38 0.00 0.00 2.36 -1.26 0.43 119.74 123.56 1brz s LYS 5 Ca 0.00 -0.17 0.00 0.00 -2.55 0.00 0.00 55.97 53.25 1brz s LYS 5 Cb 0.00 -3.14 0.00 0.00 -1.05 0.00 0.00 37.83 33.64 1brz s LYS 5 CO 0.00 0.77 0.00 1.63 1.55 0.00 0.00 175.35 179.30 1brz n LYS 6 N 2.00 0.00 -3.53 4.03 5.02 0.13 -4.99 118.16 120.83 1brz n LYS 6 Ca -0.20 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.00 1brz n LYS 6 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.53 1brz n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1brz s VAL 7 N -1.83 0.00 -0.51 -0.18 0.11 -1.26 -1.03 120.40 115.70 1brz s VAL 7 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 1brz s VAL 7 Cb 0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1brz s VAL 7 CO 0.00 0.00 0.93 -0.47 -3.33 0.00 0.00 175.10 172.23 1brz s TYR 8 N -2.52 2.85 -2.00 1.54 6.14 -0.28 -4.88 117.35 118.20 1brz s TYR 8 Ca 0.03 0.16 0.04 0.00 0.64 0.00 0.00 57.07 57.94 1brz s TYR 8 Cb -0.01 -4.01 0.22 0.00 0.42 0.00 0.00 41.96 38.58 1brz s TYR 8 CO -0.06 -1.23 0.56 0.39 0.64 0.00 0.00 175.55 175.86 1brz n GLU 9 N 7.31 0.22 0.00 4.97 -0.58 -1.26 -4.51 120.64 126.80 1brz n GLU 9 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1brz n GLU 9 Cb 0.48 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1brz n GLU 9 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1brz n ASN 10 N -0.76 0.00 0.00 1.62 0.23 -1.26 -5.19 115.26 109.90 1brz n ASN 10 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 1brz n ASN 10 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1brz n TYR 11 N 0.00 0.00 -0.61 -2.53 4.19 -1.26 -5.06 117.16 111.89 1brz n TYR 11 Ca 0.00 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.16 1brz n TYR 11 Cb 0.00 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 39.78 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1brz n PRO 12 N -0.07 0.00 -0.21 2.98 -0.02 -1.26 -4.68 135.00 131.74 1brz n PRO 12 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 1brz n PRO 12 Cb 0.00 -0.51 0.34 0.00 -0.02 0.00 0.00 33.50 33.31 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1brz h VAL 13 N 3.54 1.01 -0.00 -1.45 2.07 -1.93 -2.56 116.25 116.93 1brz h VAL 13 Ca 0.01 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1brz h VAL 13 Cb 0.53 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1brz h VAL 13 CO 0.64 0.14 0.00 0.77 0.02 0.00 0.00 177.57 179.14 1brz h SER 14 N 0.79 0.00 -1.67 0.57 4.64 -1.94 -3.39 113.55 112.56 1brz h SER 14 Ca 0.34 -0.12 -0.45 0.00 -0.47 0.00 0.00 61.79 61.09 1brz h SER 14 Cb 0.29 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1brz h SER 14 CO -0.12 0.12 1.41 -0.54 -0.87 0.00 0.00 176.83 176.83 1brz s LYS 15 N -5.73 2.30 -0.30 4.77 1.02 -0.97 -4.81 119.74 116.02 1brz s LYS 15 Ca -0.14 0.97 -0.12 0.00 0.02 0.00 0.00 55.97 56.70 1brz s LYS 15 Cb 0.05 -4.53 0.18 0.00 -0.52 0.00 0.00 37.83 33.00 1brz s LYS 15 CO 0.66 -3.12 1.01 0.00 -0.92 0.00 0.00 175.35 172.98 1brz n GLN 17 N 5.43 1.39 -2.06 0.00 6.02 -1.26 -5.05 117.38 121.86 1brz n GLN 17 Ca -0.07 -3.46 0.00 0.00 -0.01 0.00 0.00 57.00 53.46 1brz n GLN 17 Cb 0.53 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.31 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 -0.02 -2.79 0.00 1.08 4.77 -1.26 -4.82 117.00 113.95 1brz n LEU 18 Ca 0.17 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1brz n LEU 18 Cb 0.75 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1brz n LEU 18 CO 0.26 -1.55 0.00 0.00 -1.33 0.00 0.00 177.39 174.78 1brz n ALA 19 N 1.70 -0.00 -0.76 -1.18 0.00 -1.26 -4.92 120.51 114.09 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 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.04 0.00 4.05 -1.26 -4.34 115.26 111.67 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 1.67 -3.05 0.00 0.00 177.26 175.88 1brz n GLN 21 N 0.00 0.00 0.00 1.20 -0.06 -1.26 -0.96 117.38 116.30 1brz n GLN 21 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1brz n GLN 21 Cb 0.00 -1.43 0.00 0.00 -4.06 0.00 0.00 30.24 24.75 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 0.00 -0.58 -0.63 0.00 -0.73 -1.62 0.10 115.58 112.13 1brz h ASN 23 Ca 0.00 0.04 0.05 0.00 1.87 0.00 0.00 56.30 58.26 1brz h ASN 23 Cb 0.00 0.18 -0.05 0.00 0.27 0.00 0.00 38.32 38.72 1brz h ASN 23 CO 0.00 -0.35 0.35 0.22 -0.37 0.00 0.00 177.43 177.29 1brz h TYR 24 N -0.53 0.65 0.34 0.67 3.20 -1.42 0.40 116.97 120.29 1brz h TYR 24 Ca -0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1brz h TYR 24 Cb 0.46 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1brz h TYR 24 CO -0.12 0.33 -0.46 -0.44 -1.64 0.00 0.00 178.16 175.84 1brz h ASP 25 N 0.67 -1.29 -0.85 -2.11 5.19 -1.50 -1.59 116.42 114.95 1brz h ASP 25 Ca 0.27 0.12 0.10 0.00 -0.62 0.00 0.00 57.03 56.90 1brz h ASP 25 Cb 0.13 0.45 -0.07 0.00 0.18 0.00 0.00 39.33 40.01 1brz h ASP 25 CO -0.15 -0.58 0.49 0.00 -3.12 0.00 0.00 179.24 175.87 1brz n LYS 27 N -4.73 0.11 0.00 0.00 4.81 0.11 -0.20 118.16 118.26 1brz n LYS 27 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1brz n LYS 27 Cb 0.29 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.32 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 -0.29 0.00 0.21 3.14 7.94 0.61 -4.61 117.00 124.01 1brz n LEU 28 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 1brz n LEU 28 Cb 0.01 0.18 0.65 0.00 0.53 0.00 0.00 43.42 44.79 1brz n LEU 28 CO 0.00 -0.18 0.94 0.44 -1.11 0.00 0.00 177.39 177.48 1brz h ASP 29 N 0.00 0.00 0.00 1.96 3.32 0.87 -3.14 116.42 119.43 1brz h ASP 29 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1brz h ASP 29 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1brz h ASP 29 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 1brz n LYS 30 N -2.68 0.00 -3.31 3.56 5.02 -1.02 -4.97 118.16 114.77 1brz n LYS 30 Ca 0.01 -0.18 -0.24 0.00 -2.02 0.00 0.00 58.31 55.88 1brz n LYS 30 Cb 0.23 -0.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.76 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 0.00 -1.91 -1.42 2.13 8.25 -0.30 -4.96 115.22 117.00 1brz n HIS 31 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 1brz n HIS 31 Cb 0.34 -3.57 0.00 0.00 1.12 0.00 0.00 29.99 27.88 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 -3.66 0.00 -0.11 -1.41 0.00 0.72 -4.88 120.51 111.16 1brz n ALA 32 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 1brz n ALA 32 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.78 0.64 0.00 0.00 5.12 0.87 -4.33 116.66 118.18 1brz n ARG 33 Ca 0.00 0.26 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 1brz n ARG 33 Cb 0.00 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1brz n SER 34 N -3.79 0.00 0.00 0.55 3.41 -0.55 -4.77 113.62 108.47 1brz n SER 34 Ca -0.45 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1brz n SER 34 Cb 0.92 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 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 -1.40 3.61 5.00 0.00 -1.26 0.17 105.19 111.31 1brz n GLY 35 Ca 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 0.28 0.05 1.61 2.12 0.04 -4.39 118.70 116.42 1brz s GLU 36 Ca 0.00 -0.12 -0.20 0.00 0.36 0.00 0.00 54.97 55.01 1brz s GLU 36 Cb 0.00 0.12 -0.06 0.00 0.26 0.00 0.00 34.13 34.45 1brz s GLU 36 CO 0.00 -0.13 0.59 0.00 -0.54 0.00 0.00 175.26 175.18 1brz s PHE 38 N -0.76 -0.21 0.51 0.00 0.08 -0.38 -4.88 117.98 112.34 1brz s PHE 38 Ca 0.30 0.40 -0.06 0.00 0.12 0.00 0.00 56.93 57.69 1brz s PHE 38 Cb -0.19 0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.31 1brz s PHE 38 CO 0.19 -0.31 0.83 0.71 -0.10 0.00 0.00 175.22 176.54 1brz s TYR 39 N -0.86 3.53 0.21 0.36 2.02 -1.26 0.67 117.35 122.02 1brz s TYR 39 Ca -0.09 0.84 0.00 0.00 -0.37 0.00 0.00 57.07 57.45 1brz s TYR 39 Cb -0.05 -2.40 0.04 0.00 -0.40 0.00 0.00 41.96 39.15 1brz s TYR 39 CO 0.03 -0.40 0.29 -0.40 -1.57 0.00 0.00 175.55 173.51 1brz n ASP 40 N -2.36 0.43 -0.47 2.29 5.68 -1.26 -4.88 116.55 115.98 1brz n ASP 40 Ca 0.02 -1.36 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1brz n ASP 40 Cb 0.55 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1brz n ASP 40 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1brz n GLU 41 N -1.54 0.27 0.00 0.11 1.02 -1.26 -3.67 120.64 115.58 1brz n GLU 41 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1brz n GLU 41 Cb 0.18 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1brz n LYS 42 N 0.31 0.00 0.00 3.49 5.02 -1.26 -5.09 118.16 120.63 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 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 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 -1.99 0.00 0.00 1.97 1.74 -1.24 -5.06 116.66 112.08 1brz n ARG 43 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 1brz n ARG 43 Cb 0.00 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.49 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1brz n ASN 44 N 0.00 2.01 -1.73 0.55 3.02 -1.26 -4.93 115.26 112.93 1brz n ASN 44 Ca 0.00 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 1brz n ASN 44 Cb 0.00 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1brz n ASN 44 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1brz n LEU 45 N 0.66 -3.25 -4.07 3.41 0.00 -1.26 -4.93 117.00 107.56 1brz n LEU 45 Ca 0.07 2.97 -0.10 0.00 0.00 0.00 0.00 56.01 58.95 1brz n LEU 45 Cb 0.31 -3.12 -0.07 0.00 0.00 0.00 0.00 43.42 40.55 1brz n LEU 45 CO 0.08 0.10 0.04 -1.10 0.00 0.00 0.00 177.39 176.52 1brz s GLN 46 N -2.98 1.46 -0.26 1.96 -0.21 0.21 -4.86 119.66 114.99 1brz s GLN 46 Ca 0.00 -1.41 0.02 0.00 0.02 0.00 0.00 55.36 53.99 1brz s GLN 46 Cb 0.00 0.41 0.06 0.00 1.00 0.00 0.00 33.01 34.48 1brz s GLN 46 CO 0.00 -0.57 -0.07 0.00 -2.12 0.00 0.00 175.29 172.52 1brz s ILE 48 N 1.19 5.05 -0.24 0.00 1.01 0.54 -1.13 121.20 127.62 1brz s ILE 48 Ca -0.06 1.40 -0.05 0.00 0.00 0.00 0.00 60.65 61.94 1brz s ILE 48 Cb -0.19 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1brz s ILE 48 CO -0.06 0.24 0.01 0.00 0.00 0.00 0.00 174.94 175.12 1brz s ASP 50 N 1.51 6.41 0.00 0.00 -1.08 0.13 0.22 116.67 123.85 1brz s ASP 50 Ca 0.05 0.45 0.00 0.00 -0.52 0.00 0.00 52.55 52.53 1brz s ASP 50 Cb -0.15 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 1brz s ASP 50 CO -0.01 -0.01 0.43 -1.22 0.52 0.00 0.00 175.17 174.88 1brz n TYR 51 N -0.39 0.00 0.00 -5.34 4.02 0.17 -0.09 117.16 115.52 1brz n TYR 51 Ca -0.04 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1brz n TYR 51 Cb 0.53 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 -0.01 -0.54 0.00 4.71 -1.26 -4.88 120.64 118.65 1brz n GLU 53 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1brz n GLU 53 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 31.44 30.41 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88