#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afp s THR 2 N 0.00 4.29 -0.22 0.00 2.01 -1.26 -4.11 115.64 116.35 1afp s THR 2 Ca 0.00 1.69 0.00 0.00 0.31 0.00 0.00 61.69 63.69 1afp s THR 2 Cb 0.00 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.63 1afp s THR 2 CO 0.00 0.05 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.55 1afp s TYR 3 N -1.72 2.99 0.43 4.92 2.02 -0.59 -4.87 117.35 120.53 1afp s TYR 3 Ca 0.52 -1.72 -0.10 0.00 -0.37 0.00 0.00 57.07 55.40 1afp s TYR 3 Cb -0.16 -1.98 -0.06 0.00 -0.40 0.00 0.00 41.96 39.36 1afp s TYR 3 CO 0.21 -0.78 0.79 -0.80 -1.57 0.00 0.00 175.55 173.40 1afp s ASN 4 N 1.27 6.46 0.00 2.29 -0.87 -1.26 0.43 114.94 123.27 1afp s ASN 4 Ca 0.00 1.12 0.00 0.00 -1.57 0.00 0.00 52.86 52.41 1afp s ASN 4 Cb -0.16 -2.32 0.00 0.00 -0.02 0.00 0.00 41.25 38.75 1afp s ASN 4 CO -0.08 -0.46 0.00 0.61 -2.57 0.00 0.00 177.10 174.60 1afp n GLY 5 N -1.54 1.69 3.16 0.66 0.00 0.98 -3.86 105.19 106.28 1afp n GLY 5 Ca 0.02 0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1afp n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afp s LYS 6 N 4.69 0.73 0.31 1.61 1.02 0.29 -2.69 119.74 125.70 1afp s LYS 6 Ca 0.00 -0.98 0.03 0.00 0.02 0.00 0.00 55.97 55.03 1afp s LYS 6 Cb 0.00 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.55 1afp s LYS 6 CO 0.00 -0.20 0.10 0.00 -0.92 0.00 0.00 175.35 174.33 1afp s TYR 8 N -3.50 0.13 0.00 0.00 2.02 -0.96 -0.36 117.35 114.68 1afp s TYR 8 Ca 0.35 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 1afp s TYR 8 Cb 0.07 -0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.43 1afp s TYR 8 CO 0.15 -0.06 0.86 1.63 -1.57 0.00 0.00 175.55 176.57 1afp n LYS 9 N 3.62 0.00 0.00 -0.62 5.02 -1.26 0.25 118.16 125.17 1afp n LYS 9 Ca -0.20 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1afp n LYS 9 Cb 0.55 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1afp n LYS 9 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1afp n LYS 10 N -1.74 0.00 0.23 1.97 4.81 -1.26 0.23 118.16 122.40 1afp n LYS 10 Ca 0.00 0.57 0.16 0.00 -0.87 0.00 0.00 58.31 58.18 1afp n LYS 10 Cb 0.00 -1.03 0.70 0.00 0.02 0.00 0.00 35.03 34.72 1afp n LYS 10 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1afp h ASP 11 N 0.00 0.00 -6.85 3.14 3.45 -2.00 -3.45 116.42 110.71 1afp h ASP 11 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 1afp h ASP 11 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1afp h ASP 11 CO 0.00 0.00 -1.02 -3.20 -1.57 0.00 0.00 179.24 173.45 1afp n ASN 12 N -3.14 -4.39 -3.55 6.45 2.85 0.71 -4.82 115.26 109.36 1afp n ASN 12 Ca 0.03 -1.22 -0.19 0.00 -0.11 0.00 0.00 54.58 53.09 1afp n ASN 12 Cb 0.57 -1.81 -0.08 0.00 1.24 0.00 0.00 39.78 39.70 1afp n ASN 12 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1afp s ILE 13 N -3.42 0.07 -0.32 -1.44 -5.25 -0.95 -1.45 121.20 108.43 1afp s ILE 13 Ca 0.41 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 58.07 1afp s ILE 13 Cb -0.22 -2.48 0.10 0.00 2.95 0.00 0.00 42.46 42.81 1afp s ILE 13 CO 0.95 0.00 0.09 0.00 -1.79 0.00 0.00 174.94 174.19 1afp s LYS 15 N 1.46 4.01 0.17 0.00 -2.85 0.39 -0.88 119.74 122.05 1afp s LYS 15 Ca 0.10 0.37 -0.13 0.00 -1.00 0.00 0.00 55.97 55.32 1afp s LYS 15 Cb -0.18 -3.28 0.05 0.00 -2.06 0.00 0.00 37.83 32.36 1afp s LYS 15 CO -0.22 0.56 0.63 2.48 0.10 0.00 0.00 175.35 178.90 1afp n TYR 16 N 2.32 -1.39 -3.73 1.78 4.11 -1.26 0.10 117.16 119.09 1afp n TYR 16 Ca -0.13 -0.99 -0.38 0.00 -0.00 0.00 0.00 57.90 56.41 1afp n TYR 16 Cb 0.52 0.49 -0.12 0.00 -0.00 0.00 0.00 39.34 40.23 1afp n TYR 16 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1afp s LYS 17 N -2.04 2.76 1.06 -3.48 2.36 -1.25 -4.34 119.74 114.81 1afp s LYS 17 Ca 0.14 -1.09 -0.12 0.00 -2.55 0.00 0.00 55.97 52.35 1afp s LYS 17 Cb -0.02 -3.48 0.23 0.00 -1.05 0.00 0.00 37.83 33.51 1afp s LYS 17 CO 0.05 -0.62 1.07 0.00 1.55 0.00 0.00 175.35 177.40 1afp s ALA 18 N 1.45 0.31 0.36 3.13 0.00 -1.26 -4.73 121.76 121.01 1afp s ALA 18 Ca -0.00 0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1afp s ALA 18 Cb -0.19 -3.30 0.79 0.00 0.00 0.00 0.00 23.12 20.42 1afp s ALA 18 CO 0.03 -3.37 1.92 0.37 0.00 0.00 0.00 175.76 174.71 1afp h GLN 19 N -2.29 0.69 -0.06 0.00 -0.00 -1.95 -1.58 115.11 109.91 1afp h GLN 19 Ca -0.55 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.06 1afp h GLN 19 Cb 1.31 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.63 1afp h GLN 19 CO 0.48 0.46 0.00 -1.13 0.00 0.00 0.00 178.83 178.64 1afp n SER 20 N -4.51 1.88 0.00 -0.69 3.41 -1.26 -4.96 113.62 107.50 1afp n SER 20 Ca 0.13 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1afp n SER 20 Cb 0.34 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1afp n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1afp n GLY 21 N 0.39 0.93 0.37 5.00 0.00 -0.60 -4.85 105.19 106.43 1afp n GLY 21 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 1afp n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1afp h LYS 22 N 2.37 1.24 0.00 1.61 3.11 -1.93 -3.43 116.57 119.53 1afp h LYS 22 Ca 0.00 -0.07 -0.35 0.00 -2.81 0.00 0.00 60.65 57.41 1afp h LYS 22 Cb 0.00 -0.28 0.14 0.00 -1.00 0.00 0.00 32.23 31.09 1afp h LYS 22 CO 0.00 0.82 0.34 -2.37 -2.81 0.00 0.00 179.45 175.42 1afp n THR 23 N -4.43 0.00 0.00 1.00 5.66 -1.26 -5.03 114.28 110.22 1afp n THR 23 Ca 0.13 -0.81 0.00 0.00 -3.05 0.00 0.00 64.05 60.32 1afp n THR 23 Cb 0.08 -1.59 0.00 0.00 -1.55 0.00 0.00 70.33 67.27 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1afp n ALA 24 N -3.68 0.00 -1.65 1.79 0.00 -1.26 -4.42 120.51 111.29 1afp n ALA 24 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1afp n ALA 24 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1afp n ALA 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1afp n ILE 25 N 0.00 -5.49 -3.44 0.00 5.41 -1.21 -4.93 119.36 109.70 1afp n ILE 25 Ca 0.00 2.49 -0.02 0.00 1.00 0.00 0.00 62.75 66.23 1afp n ILE 25 Cb 0.00 -3.43 -0.04 0.00 -0.71 0.00 0.00 39.64 35.45 1afp n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1afp n LYS 27 N 5.42 0.00 -3.20 0.00 5.02 -1.26 -1.13 118.16 123.01 1afp n LYS 27 Ca -0.07 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.84 1afp n LYS 27 Cb 0.50 -0.92 -0.05 0.00 -0.02 0.00 0.00 35.03 34.53 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp s TYR 29 N 0.49 2.76 0.00 0.00 1.13 -1.26 -4.75 117.35 115.72 1afp s TYR 29 Ca 0.31 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 1afp s TYR 29 Cb -0.17 -1.76 0.00 0.00 -1.10 0.00 0.00 41.96 38.93 1afp s TYR 29 CO 0.15 -0.08 0.00 0.28 -2.51 0.00 0.00 175.55 173.39 1afp n VAL 30 N 3.09 0.00 -0.82 -3.49 0.31 -1.26 -4.38 118.33 111.78 1afp n VAL 30 Ca -0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.84 1afp n VAL 30 Cb 0.53 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.41 1afp n VAL 30 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1afp n LYS 31 N 0.00 1.43 -0.78 5.55 5.02 -1.26 -4.90 118.16 123.22 1afp n LYS 31 Ca 0.00 -1.49 -0.33 0.00 -2.02 0.00 0.00 58.31 54.46 1afp n LYS 31 Cb 0.00 -2.62 0.13 0.00 -0.02 0.00 0.00 35.03 32.52 1afp n LYS 31 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1afp n LYS 32 N 5.87 -0.79 -2.23 1.97 2.85 -1.26 -4.27 118.16 120.29 1afp n LYS 32 Ca 0.42 -0.21 -0.41 0.00 -1.05 0.00 0.00 58.31 57.07 1afp n LYS 32 Cb 0.26 -1.64 -0.03 0.00 -0.65 0.00 0.00 35.03 32.98 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1afp h PRO 34 N 4.89 0.38 0.00 0.00 0.13 -1.89 -3.38 132.00 132.13 1afp h PRO 34 Ca -0.46 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 1afp h PRO 34 Cb 1.22 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1afp h PRO 34 CO 0.74 1.04 0.00 2.89 -0.23 0.00 0.00 178.00 182.44 1afp n ARG 35 N -3.77 0.00 -1.45 0.86 1.85 -1.26 -4.86 116.66 108.03 1afp n ARG 35 Ca -0.05 0.00 -0.52 0.00 -1.00 0.00 0.00 57.85 56.28 1afp n ARG 35 Cb 0.78 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.14 1afp n ARG 35 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1afp n ASP 36 N 0.00 -0.58 0.00 2.89 -0.08 -1.26 0.11 116.55 117.64 1afp n ASP 36 Ca 0.00 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.42 1afp n ASP 36 Cb 0.00 -0.96 0.00 0.00 2.34 0.00 0.00 41.12 42.50 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1afp n GLY 37 N 1.80 3.02 3.57 0.27 0.00 0.51 -4.96 105.19 109.41 1afp n GLY 37 Ca 0.18 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.56 1afp n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1afp n ALA 38 N -0.53 -1.70 -1.77 4.61 0.00 0.31 -4.24 120.51 117.18 1afp n ALA 38 Ca 0.00 0.50 -0.36 0.00 0.00 0.00 0.00 53.44 53.58 1afp n ALA 38 Cb 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 1afp n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1afp s LYS 39 N 2.39 3.64 0.15 0.00 2.36 -1.26 0.15 119.74 127.17 1afp s LYS 39 Ca 0.99 1.68 -0.16 0.00 -2.55 0.00 0.00 55.97 55.93 1afp s LYS 39 Cb -1.41 -2.26 0.03 0.00 -1.05 0.00 0.00 37.83 33.14 1afp s LYS 39 CO 0.75 -0.63 0.43 0.00 1.55 0.00 0.00 175.35 177.45 1afp s GLU 41 N -3.84 1.07 -0.40 0.00 1.03 -1.25 -0.01 118.70 115.29 1afp s GLU 41 Ca 0.06 -0.33 -0.15 0.00 0.03 0.00 0.00 54.97 54.57 1afp s GLU 41 Cb 0.01 -0.99 0.01 0.00 -0.80 0.00 0.00 34.13 32.37 1afp s GLU 41 CO -0.08 0.12 0.34 0.12 -1.33 0.00 0.00 175.26 174.42 1afp s PHE 42 N 0.22 3.22 0.12 4.83 2.19 0.17 -2.67 117.98 126.06 1afp s PHE 42 Ca -0.04 -0.45 -0.30 0.00 0.33 0.00 0.00 56.93 56.47 1afp s PHE 42 Cb -0.09 -2.67 -0.06 0.00 -1.31 0.00 0.00 43.02 38.88 1afp s PHE 42 CO 0.01 -0.59 1.06 0.34 1.83 0.00 0.00 175.22 177.88 1afp s ASP 43 N 1.73 7.31 0.01 6.13 -1.08 -1.26 -1.54 116.67 127.97 1afp s ASP 43 Ca 0.08 1.95 0.23 0.00 -0.52 0.00 0.00 52.55 54.29 1afp s ASP 43 Cb -0.18 -2.59 0.06 0.00 -1.46 0.00 0.00 42.92 38.74 1afp s ASP 43 CO 0.11 -0.22 1.07 -1.54 0.52 0.00 0.00 175.17 175.11 1afp n SER 44 N 2.87 0.71 0.03 -0.34 3.41 -1.26 -2.01 113.62 117.02 1afp n SER 44 Ca 0.04 -0.52 0.04 0.00 -0.26 0.00 0.00 58.87 58.17 1afp n SER 44 Cb 0.47 0.76 0.19 0.00 -0.26 0.00 0.00 64.21 65.38 1afp n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afp n TYR 45 N -1.66 0.13 0.11 7.33 4.11 -1.26 -4.20 117.16 121.72 1afp n TYR 45 Ca 0.04 0.06 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 1afp n TYR 45 Cb 0.37 -0.60 0.00 0.00 -0.00 0.00 0.00 39.34 39.11 1afp n TYR 45 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1afp n LYS 46 N -1.63 0.00 0.00 -3.48 5.02 -1.26 -5.08 118.16 111.74 1afp n LYS 46 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1afp n LYS 46 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1afp n GLY 47 N 0.39 0.97 0.00 0.72 0.00 -0.85 -5.12 105.19 101.29 1afp n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1afp n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1afp n LYS 48 N 0.00 2.85 -3.52 1.61 4.01 -1.22 -5.02 118.16 116.87 1afp n LYS 48 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 1afp n LYS 48 Cb 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.39 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp n TYR 50 N 4.59 0.44 1.74 0.00 4.02 -1.09 -4.64 117.16 122.23 1afp n TYR 50 Ca 0.03 -1.62 0.15 0.00 -0.01 0.00 0.00 57.90 56.46 1afp n TYR 50 Cb 0.39 -1.62 0.73 0.00 -0.02 0.00 0.00 39.34 38.82 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85