#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afp n THR 2 N 0.00 2.21 -3.86 0.00 -1.04 -1.26 -4.64 114.28 105.70 1afp n THR 2 Ca 0.00 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.15 1afp n THR 2 Cb 0.00 -1.09 -0.13 0.00 -1.82 0.00 0.00 70.33 67.29 1afp n THR 2 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1afp s TYR 3 N -1.21 3.12 0.19 -1.42 2.02 -1.03 -4.84 117.35 114.18 1afp s TYR 3 Ca 0.61 -1.31 -0.14 0.00 -0.37 0.00 0.00 57.07 55.86 1afp s TYR 3 Cb -0.61 -2.16 -0.07 0.00 -0.40 0.00 0.00 41.96 38.72 1afp s TYR 3 CO 0.58 -0.67 0.58 -0.80 -1.57 0.00 0.00 175.55 173.68 1afp s ASN 4 N 1.40 6.81 0.00 2.29 0.02 -1.26 -0.43 114.94 123.77 1afp s ASN 4 Ca 0.01 1.10 0.00 0.00 -1.02 0.00 0.00 52.86 52.95 1afp s ASN 4 Cb -0.17 -2.30 0.00 0.00 0.02 0.00 0.00 41.25 38.80 1afp s ASN 4 CO -0.01 0.04 0.00 0.61 0.02 0.00 0.00 177.10 177.76 1afp n GLY 5 N 0.51 0.75 3.34 0.66 0.00 0.35 -4.11 105.19 106.69 1afp n GLY 5 Ca -0.03 0.44 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 2.66 1.12 0.11 1.61 1.02 -0.49 -3.38 119.74 122.39 1afp s LYS 6 Ca 0.00 -1.06 0.03 0.00 0.02 0.00 0.00 55.97 54.96 1afp s LYS 6 Cb 0.00 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.67 1afp s LYS 6 CO 0.00 -0.41 -0.08 0.00 -0.92 0.00 0.00 175.35 173.93 1afp s TYR 8 N -3.21 1.91 -0.04 0.00 1.51 -0.39 -1.05 117.35 116.08 1afp s TYR 8 Ca 0.11 -0.70 -0.25 0.00 -1.01 0.00 0.00 57.07 55.21 1afp s TYR 8 Cb 0.02 -1.32 -0.20 0.00 -0.11 0.00 0.00 41.96 40.36 1afp s TYR 8 CO -0.02 -0.30 1.14 1.57 -1.11 0.00 0.00 175.55 176.83 1afp h LYS 9 N 6.71 -0.08 -0.19 -0.62 5.09 -1.82 2.07 116.57 127.73 1afp h LYS 9 Ca -0.27 0.01 0.06 0.00 0.09 0.00 0.00 60.65 60.53 1afp h LYS 9 Cb 1.20 0.02 -0.07 0.00 0.10 0.00 0.00 32.23 33.48 1afp h LYS 9 CO 0.47 0.43 -0.29 -0.22 -2.09 0.00 0.00 179.45 177.76 1afp h LYS 10 N -0.63 -0.31 0.00 0.07 3.64 -1.96 0.21 116.57 117.59 1afp h LYS 10 Ca -0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1afp h LYS 10 Cb 0.54 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1afp h LYS 10 CO 0.01 -0.21 -0.06 -0.25 -2.27 0.00 0.00 179.45 176.68 1afp n ASP 11 N -5.40 0.29 -3.81 4.20 10.43 -1.23 -4.95 116.55 116.08 1afp n ASP 11 Ca -0.02 0.46 -0.27 0.00 2.57 0.00 0.00 54.79 57.53 1afp n ASP 11 Cb 0.31 -0.51 0.00 0.00 1.84 0.00 0.00 41.12 42.77 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1afp n ASN 12 N -1.74 -4.82 -3.91 -2.24 2.85 0.69 -4.86 115.26 101.23 1afp n ASN 12 Ca 0.06 -0.99 -0.09 0.00 -0.11 0.00 0.00 54.58 53.45 1afp n ASN 12 Cb 0.37 -1.75 -0.05 0.00 1.24 0.00 0.00 39.78 39.59 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 -3.06 0.00 -0.20 -1.44 -5.25 -0.39 -2.56 121.20 108.31 1afp s ILE 13 Ca 0.06 -1.40 0.01 0.00 -0.99 0.00 0.00 60.65 58.33 1afp s ILE 13 Cb -0.03 -2.25 0.04 0.00 2.95 0.00 0.00 42.46 43.16 1afp s ILE 13 CO 0.90 0.00 -0.14 0.00 -1.79 0.00 0.00 174.94 173.91 1afp s LYS 15 N 1.33 3.35 -0.02 0.00 1.02 0.46 0.19 119.74 126.07 1afp s LYS 15 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 1afp s LYS 15 Cb -0.15 -2.90 0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1afp s LYS 15 CO -0.10 0.50 1.13 1.52 -0.92 0.00 0.00 175.35 177.49 1afp s TYR 16 N -1.77 -0.13 -0.09 3.18 -0.85 -1.04 -1.39 117.35 115.25 1afp s TYR 16 Ca 0.34 -0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.58 1afp s TYR 16 Cb -0.11 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.77 1afp s TYR 16 CO 0.28 -0.43 1.18 0.15 -1.52 0.00 0.00 175.55 175.20 1afp s LYS 17 N -2.73 4.34 0.66 -3.49 1.02 -1.26 -0.77 119.74 117.50 1afp s LYS 17 Ca 0.11 1.61 -0.18 0.00 0.02 0.00 0.00 55.97 57.54 1afp s LYS 17 Cb 0.01 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 1afp s LYS 17 CO -0.03 -0.48 1.23 0.00 -0.92 0.00 0.00 175.35 175.14 1afp n ALA 18 N 5.48 0.91 -0.38 5.17 0.00 -1.09 -4.77 120.51 125.84 1afp n ALA 18 Ca 0.11 -0.02 0.30 0.00 0.00 0.00 0.00 53.44 53.83 1afp n ALA 18 Cb 0.46 -2.29 0.57 0.00 0.00 0.00 0.00 19.45 18.20 1afp n ALA 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1afp h GLN 19 N 0.41 0.20 0.06 0.00 4.15 -1.94 0.40 115.11 118.39 1afp h GLN 19 Ca -0.50 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 58.90 1afp h GLN 19 Cb 1.34 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1afp h GLN 19 CO 0.52 0.13 -0.03 0.77 -1.93 0.00 0.00 178.83 178.30 1afp h SER 20 N 0.21 -0.06 0.00 -0.69 0.02 -2.02 -3.47 113.55 107.53 1afp h SER 20 Ca 0.75 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1afp h SER 20 Cb 2.08 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.64 1afp h SER 20 CO -0.47 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 1afp n GLY 21 N 0.31 0.34 0.00 -3.77 0.00 0.14 -5.12 105.19 97.09 1afp n GLY 21 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1afp n GLY 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1afp n LYS 22 N 0.00 0.00 -3.66 1.61 4.81 -1.26 -4.32 118.16 115.34 1afp n LYS 22 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1afp n LYS 22 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1afp n LYS 22 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1afp s THR 23 N 0.00 -0.00 -0.04 3.15 2.01 -1.26 -2.67 115.64 116.82 1afp s THR 23 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1afp s THR 23 Cb 0.00 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1afp s THR 23 CO 0.00 0.00 -0.04 0.00 -0.69 0.00 0.00 174.62 173.89 1afp s ALA 24 N 0.50 0.67 0.14 7.40 0.00 0.05 -4.65 121.76 125.87 1afp s ALA 24 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 1afp s ALA 24 Cb -0.05 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.58 1afp s ALA 24 CO -0.02 -0.02 0.47 0.42 0.00 0.00 0.00 175.76 176.61 1afp s ILE 25 N 0.93 5.01 -0.30 0.00 1.01 -1.26 -2.51 121.20 124.08 1afp s ILE 25 Ca -0.11 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1afp s ILE 25 Cb -0.14 -3.66 0.09 0.00 0.01 0.00 0.00 42.46 38.76 1afp s ILE 25 CO -0.00 0.15 0.06 0.00 0.00 0.00 0.00 174.94 175.16 1afp n LYS 27 N 4.69 0.00 -3.21 0.00 4.76 -1.26 -0.47 118.16 122.66 1afp n LYS 27 Ca -0.02 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.97 1afp n LYS 27 Cb 0.43 -1.00 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp n TYR 29 N 5.91 2.55 0.00 0.00 4.11 -1.26 -4.86 117.16 123.62 1afp n TYR 29 Ca -0.09 -2.29 0.00 0.00 -0.00 0.00 0.00 57.90 55.53 1afp n TYR 29 Cb 0.44 -0.88 0.00 0.00 -0.00 0.00 0.00 39.34 38.90 1afp n TYR 29 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1afp n VAL 30 N -0.97 0.00 -3.48 -3.48 0.24 -1.26 -5.04 118.33 104.34 1afp n VAL 30 Ca 0.51 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.58 1afp n VAL 30 Cb 1.01 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.38 1afp n VAL 30 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1afp n LYS 31 N -0.24 -1.34 -1.11 7.34 0.00 -1.26 -4.68 118.16 116.87 1afp n LYS 31 Ca 0.00 0.72 -0.35 0.00 0.00 0.00 0.00 58.31 58.68 1afp n LYS 31 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.25 1afp n LYS 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1afp n LYS 32 N -1.84 0.00 -1.50 1.64 4.01 -1.26 -4.71 118.16 114.50 1afp n LYS 32 Ca -0.23 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.14 1afp n LYS 32 Cb 0.58 -0.88 0.00 0.00 -0.51 0.00 0.00 35.03 34.22 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp h PRO 34 N 1.13 0.63 -1.28 0.00 0.13 -1.90 -3.37 132.00 127.35 1afp h PRO 34 Ca -0.40 -0.62 0.14 0.00 -0.87 0.00 0.00 66.00 64.26 1afp h PRO 34 Cb 1.38 0.16 -0.30 0.00 0.13 0.00 0.00 31.00 32.37 1afp h PRO 34 CO 0.54 1.23 0.71 -0.98 -0.23 0.00 0.00 178.00 179.27 1afp s ARG 35 N -3.44 0.23 0.07 0.86 1.70 -1.26 -4.82 118.95 112.29 1afp s ARG 35 Ca -0.11 0.28 -0.35 0.00 -0.47 0.00 0.00 55.73 55.08 1afp s ARG 35 Cb 0.06 0.11 -0.19 0.00 -0.57 0.00 0.00 34.95 34.37 1afp s ARG 35 CO 0.88 -0.03 0.86 -3.47 -1.08 0.00 0.00 175.30 172.46 1afp n ASP 36 N 1.87 -0.45 0.00 -2.89 -0.08 -1.24 0.67 116.55 114.43 1afp n ASP 36 Ca -0.11 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.30 1afp n ASP 36 Cb 0.56 -0.91 0.00 0.00 2.34 0.00 0.00 41.12 43.11 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 1.65 3.19 3.71 0.27 0.00 -0.22 -4.96 105.19 108.83 1afp n GLY 37 Ca 0.19 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.93 -0.48 -1.74 4.61 0.00 0.21 -4.30 120.51 117.89 1afp n ALA 38 Ca 0.00 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 1afp n ALA 38 Cb 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 19.45 17.36 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 3.52 2.83 0.11 0.00 2.36 -1.26 0.21 119.74 127.51 1afp s LYS 39 Ca 1.01 2.06 -0.25 0.00 -2.55 0.00 0.00 55.97 56.24 1afp s LYS 39 Cb -1.20 -1.99 0.08 0.00 -1.05 0.00 0.00 37.83 33.67 1afp s LYS 39 CO 0.70 -1.38 0.76 0.00 1.55 0.00 0.00 175.35 176.98 1afp s GLU 41 N -3.49 1.42 -0.46 0.00 8.01 -1.06 -0.49 118.70 122.62 1afp s GLU 41 Ca 0.05 -0.87 -0.09 0.00 0.01 0.00 0.00 54.97 54.07 1afp s GLU 41 Cb -0.02 -1.48 0.12 0.00 -4.31 0.00 0.00 34.13 28.44 1afp s GLU 41 CO -0.08 0.39 0.33 0.12 0.01 0.00 0.00 175.26 176.03 1afp s PHE 42 N -0.72 3.43 0.03 1.61 5.36 0.43 -1.21 117.98 126.91 1afp s PHE 42 Ca 0.07 -1.88 -0.30 0.00 -0.96 0.00 0.00 56.93 53.86 1afp s PHE 42 Cb -0.08 -3.44 -0.08 0.00 -0.34 0.00 0.00 43.02 39.07 1afp s PHE 42 CO 0.01 -0.98 1.83 0.34 -1.46 0.00 0.00 175.22 174.96 1afp s ASP 43 N 2.58 6.52 0.00 6.13 3.68 -1.26 -2.46 116.67 131.86 1afp s ASP 43 Ca 0.06 2.54 0.13 0.00 2.13 0.00 0.00 52.55 57.41 1afp s ASP 43 Cb -0.26 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.12 1afp s ASP 43 CO -0.01 -0.99 1.34 -1.54 0.13 0.00 0.00 175.17 174.10 1afp n SER 44 N 6.99 1.54 0.01 -0.34 3.41 -1.26 -0.28 113.62 123.68 1afp n SER 44 Ca 0.18 -1.88 0.11 0.00 -0.26 0.00 0.00 58.87 57.02 1afp n SER 44 Cb 0.41 -0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 64.08 1afp n SER 44 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1afp n TYR 45 N 0.30 0.10 0.00 7.33 4.01 -1.26 -4.75 117.16 122.90 1afp n TYR 45 Ca 0.12 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1afp n TYR 45 Cb 0.27 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1afp n TYR 45 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1afp n LYS 46 N -2.06 0.00 -0.06 -0.72 2.85 -1.22 -5.05 118.16 111.90 1afp n LYS 46 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1afp n LYS 46 Cb 0.49 -0.12 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1afp n GLY 47 N 1.48 1.13 0.00 2.58 0.00 0.61 -5.07 105.19 105.92 1afp n GLY 47 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.87 0.00 0.00 1.61 5.02 -1.26 -4.91 118.16 116.75 1afp n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1afp n LYS 48 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp n TYR 50 N 0.00 1.02 0.92 0.00 4.02 -0.35 -4.92 117.16 117.84 1afp n TYR 50 Ca 0.00 -1.14 0.07 0.00 -0.01 0.00 0.00 57.90 56.83 1afp n TYR 50 Cb 0.00 -1.34 0.44 0.00 -0.02 0.00 0.00 39.34 38.42 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85