#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 4.00 -4.02 0.00 -1.04 -1.26 -4.39 114.28 107.57 1afp n THR 2 Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 1afp n THR 2 Cb 0.00 -1.60 -0.15 0.00 -1.82 0.00 0.00 70.33 66.76 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 -1.31 2.94 0.34 -1.42 1.51 -0.54 -4.88 117.35 113.99 1afp s TYR 3 Ca 0.74 -1.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.17 1afp s TYR 3 Cb -0.41 -2.00 -0.07 0.00 -0.11 0.00 0.00 41.96 39.36 1afp s TYR 3 CO 0.48 -0.73 0.71 -0.80 -1.11 0.00 0.00 175.55 174.09 1afp s ASN 4 N 1.33 6.63 0.00 2.29 0.02 -1.26 0.68 114.94 124.63 1afp s ASN 4 Ca 0.03 1.13 0.00 0.00 -1.02 0.00 0.00 52.86 52.99 1afp s ASN 4 Cb -0.15 -2.31 0.00 0.00 0.02 0.00 0.00 41.25 38.81 1afp s ASN 4 CO -0.08 -0.26 0.00 0.61 0.02 0.00 0.00 177.10 177.39 1afp n GLY 5 N -0.74 1.46 3.21 0.66 0.00 0.62 -4.18 105.19 106.21 1afp n GLY 5 Ca 0.02 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 3.95 0.86 0.12 1.61 1.02 0.01 -3.06 119.74 124.26 1afp s LYS 6 Ca 0.00 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 54.96 1afp s LYS 6 Cb 0.00 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 1afp s LYS 6 CO 0.00 -0.27 -0.03 0.00 -0.92 0.00 0.00 175.35 174.13 1afp s TYR 8 N -3.68 1.34 0.10 0.00 1.51 -0.86 -0.73 117.35 115.03 1afp s TYR 8 Ca 0.17 -0.54 -0.33 0.00 -1.01 0.00 0.00 57.07 55.36 1afp s TYR 8 Cb 0.06 -1.05 -0.14 0.00 -0.11 0.00 0.00 41.96 40.72 1afp s TYR 8 CO -0.02 -0.34 1.59 1.57 -1.11 0.00 0.00 175.55 177.25 1afp h LYS 9 N 7.39 -0.80 0.00 -0.62 5.09 -1.80 3.82 116.57 129.66 1afp h LYS 9 Ca -0.31 0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.48 1afp h LYS 9 Cb 1.16 0.18 0.00 0.00 0.10 0.00 0.00 32.23 33.68 1afp h LYS 9 CO 0.45 -0.53 0.00 1.17 -2.09 0.00 0.00 179.45 178.45 1afp n LYS 10 N -5.51 0.00 0.09 0.07 3.00 -1.26 0.55 118.16 115.10 1afp n LYS 10 Ca -0.10 0.59 0.07 0.00 -0.00 0.00 0.00 58.31 58.87 1afp n LYS 10 Cb 0.41 -1.18 0.35 0.00 0.00 0.00 0.00 35.03 34.61 1afp n LYS 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1afp n ASP 11 N -1.60 0.33 -3.70 3.14 10.43 -1.21 -4.86 116.55 119.08 1afp n ASP 11 Ca 0.00 0.63 -0.25 0.00 2.57 0.00 0.00 54.79 57.75 1afp n ASP 11 Cb 0.00 -0.68 0.00 0.00 1.84 0.00 0.00 41.12 42.28 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 -1.92 -4.13 -4.06 -2.24 5.15 1.26 -4.83 115.26 104.49 1afp n ASN 12 Ca 0.00 -0.91 -0.10 0.00 -0.60 0.00 0.00 54.58 52.97 1afp n ASN 12 Cb 0.07 -1.40 -0.08 0.00 -0.53 0.00 0.00 39.78 37.84 1afp n ASN 12 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1afp s ILE 13 N -2.98 0.05 -0.23 -1.44 -5.25 -0.93 -2.03 121.20 108.39 1afp s ILE 13 Ca 0.06 -1.63 0.00 0.00 -0.99 0.00 0.00 60.65 58.09 1afp s ILE 13 Cb -0.03 -2.08 0.03 0.00 2.95 0.00 0.00 42.46 43.33 1afp s ILE 13 CO 0.80 -0.22 -0.12 0.00 -1.79 0.00 0.00 174.94 173.61 1afp s LYS 15 N 1.26 3.67 0.19 0.00 1.02 0.42 0.18 119.74 126.48 1afp s LYS 15 Ca -0.00 -0.10 -0.21 0.00 0.02 0.00 0.00 55.97 55.67 1afp s LYS 15 Cb -0.16 -3.25 0.05 0.00 -0.52 0.00 0.00 37.83 33.95 1afp s LYS 15 CO -0.07 0.65 0.61 1.52 -0.92 0.00 0.00 175.35 177.13 1afp s TYR 16 N -0.67 -0.39 0.86 3.18 1.13 -0.76 -0.81 117.35 119.89 1afp s TYR 16 Ca 0.14 0.10 -0.11 0.00 -1.41 0.00 0.00 57.07 55.79 1afp s TYR 16 Cb -0.12 0.56 0.11 0.00 -1.10 0.00 0.00 41.96 41.40 1afp s TYR 16 CO 0.03 -0.94 1.11 0.15 -2.51 0.00 0.00 175.55 173.39 1afp s LYS 17 N -3.81 1.55 -0.29 -3.49 -0.14 -1.26 -0.82 119.74 111.48 1afp s LYS 17 Ca 0.04 1.21 0.08 0.00 -1.36 0.00 0.00 55.97 55.95 1afp s LYS 17 Cb -0.02 -1.81 0.46 0.00 -1.68 0.00 0.00 37.83 34.78 1afp s LYS 17 CO -0.07 -2.16 1.18 0.00 -0.76 0.00 0.00 175.35 173.55 1afp n ALA 18 N -3.87 4.86 0.00 5.17 0.00 -1.26 -4.46 120.51 120.94 1afp n ALA 18 Ca 0.09 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1afp n ALA 18 Cb 0.53 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1afp n ALA 18 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1afp n GLN 19 N -0.70 0.00 -0.02 0.00 7.27 -1.26 -3.92 117.38 118.75 1afp n GLN 19 Ca 0.42 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.55 1afp n GLN 19 Cb 0.96 0.00 0.36 0.00 2.41 0.00 0.00 30.24 33.97 1afp n GLN 19 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1afp n SER 20 N 1.57 0.31 0.00 1.69 7.64 -1.26 -4.83 113.62 118.73 1afp n SER 20 Ca 0.00 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.24 1afp n SER 20 Cb 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1afp n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1afp n GLY 21 N 0.77 2.42 0.64 0.23 0.00 -1.25 -4.85 105.19 103.14 1afp n GLY 21 Ca 0.10 0.00 0.44 0.00 0.00 0.00 0.00 46.02 46.57 1afp n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1afp h LYS 22 N 2.33 0.00 -5.46 1.61 1.57 -1.88 -3.41 116.57 111.33 1afp h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1afp h LYS 22 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1afp h LYS 22 CO 0.00 0.00 -0.60 2.41 -0.57 0.00 0.00 179.45 180.69 1afp n THR 23 N -3.80 -5.69 -3.60 -0.16 -1.04 -1.26 -4.81 114.28 93.93 1afp n THR 23 Ca 0.36 1.14 -0.23 0.00 -2.04 0.00 0.00 64.05 63.29 1afp n THR 23 Cb 1.76 -3.98 -0.01 0.00 -1.82 0.00 0.00 70.33 66.29 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1afp s ALA 24 N -0.26 4.31 0.21 2.41 0.00 -0.00 -4.84 121.76 123.59 1afp s ALA 24 Ca -0.10 -1.69 0.09 0.00 0.00 0.00 0.00 51.96 50.26 1afp s ALA 24 Cb 0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1afp s ALA 24 CO 0.26 -0.41 -0.05 0.42 0.00 0.00 0.00 175.76 175.98 1afp s ILE 25 N -2.62 3.36 -0.25 0.00 1.01 -1.26 -1.83 121.20 119.61 1afp s ILE 25 Ca 0.45 -1.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.34 1afp s ILE 25 Cb -0.03 -2.72 0.09 0.00 0.01 0.00 0.00 42.46 39.81 1afp s ILE 25 CO 0.27 -0.21 0.11 0.00 0.00 0.00 0.00 174.94 175.12 1afp n LYS 27 N 5.23 0.04 -2.92 0.00 5.02 -1.26 0.10 118.16 124.38 1afp n LYS 27 Ca -0.06 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 1afp n LYS 27 Cb 0.44 -1.05 -0.04 0.00 -0.02 0.00 0.00 35.03 34.37 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 1.22 1.56 0.00 0.00 5.04 -1.26 -4.84 117.35 119.07 1afp s TYR 29 Ca 0.41 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 1afp s TYR 29 Cb -0.18 -0.86 0.00 0.00 0.35 0.00 0.00 41.96 41.27 1afp s TYR 29 CO 0.19 0.16 0.00 0.28 -1.34 0.00 0.00 175.55 174.83 1afp n VAL 30 N 1.08 0.00 -4.14 3.14 0.31 -1.26 -4.64 118.33 112.81 1afp n VAL 30 Ca -0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.83 1afp n VAL 30 Cb 0.54 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.31 1afp n VAL 30 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1afp s LYS 31 N 0.00 2.41 1.06 5.55 1.02 -1.26 -5.13 119.74 123.40 1afp s LYS 31 Ca 0.00 -0.61 -0.18 0.00 0.02 0.00 0.00 55.97 55.20 1afp s LYS 31 Cb 0.00 -2.15 0.27 0.00 -0.52 0.00 0.00 37.83 35.44 1afp s LYS 31 CO 0.00 -0.19 0.65 1.63 -0.92 0.00 0.00 175.35 176.52 1afp n LYS 32 N 4.62 -3.98 -2.94 1.68 4.76 -1.26 -4.61 118.16 116.43 1afp n LYS 32 Ca -0.18 -1.09 -0.36 0.00 -2.87 0.00 0.00 58.31 53.82 1afp n LYS 32 Cb 0.50 -1.37 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp h PRO 34 N 3.00 0.49 -1.38 0.00 0.13 -1.91 -3.37 132.00 128.96 1afp h PRO 34 Ca -0.48 -0.47 0.14 0.00 -0.87 0.00 0.00 66.00 64.32 1afp h PRO 34 Cb 1.19 0.12 -0.25 0.00 0.13 0.00 0.00 31.00 32.19 1afp h PRO 34 CO 0.65 1.11 0.69 -0.98 -0.23 0.00 0.00 178.00 179.24 1afp s ARG 35 N -3.39 0.39 0.15 0.86 1.70 -1.26 -4.80 118.95 112.61 1afp s ARG 35 Ca -0.13 0.13 -0.33 0.00 -0.47 0.00 0.00 55.73 54.94 1afp s ARG 35 Cb 0.05 0.18 -0.17 0.00 -0.57 0.00 0.00 34.95 34.44 1afp s ARG 35 CO 0.84 -0.11 0.94 -3.47 -1.08 0.00 0.00 175.30 172.41 1afp n ASP 36 N 0.82 0.27 0.00 -2.89 -0.08 -1.25 0.63 116.55 114.05 1afp n ASP 36 Ca -0.07 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.35 1afp n ASP 36 Cb 0.58 -1.08 0.00 0.00 2.34 0.00 0.00 41.12 42.96 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 1.83 3.08 3.74 0.27 0.00 0.10 -4.95 105.19 109.25 1afp n GLY 37 Ca 0.17 0.00 -0.68 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.67 -1.32 -1.76 4.61 0.00 0.20 -4.19 120.51 117.37 1afp n ALA 38 Ca 0.00 0.49 -0.38 0.00 0.00 0.00 0.00 53.44 53.56 1afp n ALA 38 Cb 0.00 -1.92 0.02 0.00 0.00 0.00 0.00 19.45 17.54 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 3.07 3.42 0.16 0.00 2.20 -1.26 0.14 119.74 127.46 1afp s LYS 39 Ca 1.05 1.98 -0.21 0.00 -0.36 0.00 0.00 55.97 58.44 1afp s LYS 39 Cb -1.50 -2.30 0.06 0.00 -1.51 0.00 0.00 37.83 32.58 1afp s LYS 39 CO 0.82 -0.89 0.55 0.00 -0.36 0.00 0.00 175.35 175.47 1afp s GLU 41 N -3.77 2.30 -0.36 0.00 1.03 -1.26 -0.27 118.70 116.36 1afp s GLU 41 Ca 0.02 -0.67 -0.15 0.00 0.03 0.00 0.00 54.97 54.20 1afp s GLU 41 Cb -0.00 -1.84 -0.00 0.00 -0.80 0.00 0.00 34.13 31.48 1afp s GLU 41 CO -0.12 0.16 0.33 0.12 -1.33 0.00 0.00 175.26 174.43 1afp s PHE 42 N 0.33 3.21 0.15 4.83 5.36 0.21 -2.94 117.98 129.14 1afp s PHE 42 Ca -0.13 -0.22 -0.31 0.00 -0.96 0.00 0.00 56.93 55.31 1afp s PHE 42 Cb -0.16 -2.64 -0.09 0.00 -0.34 0.00 0.00 43.02 39.79 1afp s PHE 42 CO 0.05 -0.48 1.47 0.34 -1.46 0.00 0.00 175.22 175.15 1afp s ASP 43 N 1.73 6.70 -0.07 6.13 -1.08 -1.26 -1.46 116.67 127.37 1afp s ASP 43 Ca 0.09 2.49 0.17 0.00 -0.52 0.00 0.00 52.55 54.78 1afp s ASP 43 Cb -0.17 -2.59 0.61 0.00 -1.46 0.00 0.00 42.92 39.31 1afp s ASP 43 CO 0.11 -0.73 1.51 -1.54 0.52 0.00 0.00 175.17 175.04 1afp n SER 44 N 3.78 4.00 -0.03 -0.34 3.41 -1.26 -2.41 113.62 120.78 1afp n SER 44 Ca 0.12 -2.28 0.01 0.00 -0.26 0.00 0.00 58.87 56.46 1afp n SER 44 Cb 0.40 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.75 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 1.08 0.00 0.05 7.33 4.01 -1.26 -4.85 117.16 123.53 1afp n TYR 45 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1afp n TYR 45 Cb 0.72 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1afp n TYR 45 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1afp n LYS 46 N -2.15 0.00 0.00 -0.72 5.02 -1.25 -5.06 118.16 114.00 1afp n LYS 46 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1afp n LYS 46 Cb 0.57 -0.48 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 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 3.38 1.58 0.00 0.72 0.00 -1.01 -5.09 105.19 104.78 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 -0.34 0.02 -3.60 1.61 5.02 -1.26 -4.92 118.16 114.69 1afp n LYS 48 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1afp n LYS 48 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 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 4.87 0.83 0.22 0.00 4.02 -1.15 -4.33 117.16 121.62 1afp n TYR 50 Ca -0.02 -1.87 0.02 0.00 -0.01 0.00 0.00 57.90 56.02 1afp n TYR 50 Cb 0.41 -1.75 0.10 0.00 -0.02 0.00 0.00 39.34 38.08 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85