#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 0.09 -3.25 0.00 -1.04 -1.26 -4.51 114.28 104.30 1afp n THR 2 Ca 0.00 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.58 1afp n THR 2 Cb 0.00 -1.66 -0.08 0.00 -1.82 0.00 0.00 70.33 66.77 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 0.89 3.22 0.58 -1.42 2.02 -0.79 -4.79 117.35 117.06 1afp s TYR 3 Ca 0.77 0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 57.71 1afp s TYR 3 Cb -0.63 -2.81 -0.05 0.00 -0.40 0.00 0.00 41.96 38.08 1afp s TYR 3 CO 0.37 -0.40 1.03 -0.80 -1.57 0.00 0.00 175.55 174.19 1afp s ASN 4 N 1.66 6.04 0.00 2.29 0.02 -1.26 -0.55 114.94 123.15 1afp s ASN 4 Ca 0.19 1.71 0.00 0.00 -1.02 0.00 0.00 52.86 53.74 1afp s ASN 4 Cb -0.16 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.59 1afp s ASN 4 CO 0.11 -0.99 0.00 0.61 0.02 0.00 0.00 177.10 176.85 1afp n GLY 5 N -1.31 -0.74 3.15 0.66 0.00 0.36 -4.03 105.19 103.28 1afp n GLY 5 Ca 0.08 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.47 0.76 0.14 1.61 3.01 -0.80 -1.26 119.74 122.73 1afp s LYS 6 Ca 0.00 -1.15 0.06 0.00 -1.01 0.00 0.00 55.97 53.87 1afp s LYS 6 Cb 0.00 0.27 -0.04 0.00 -1.01 0.00 0.00 37.83 37.05 1afp s LYS 6 CO 0.00 -0.20 -0.14 0.00 0.51 0.00 0.00 175.35 175.52 1afp s TYR 8 N -2.44 2.53 -0.17 0.00 2.02 0.88 -2.32 117.35 117.84 1afp s TYR 8 Ca 0.13 -0.27 -0.24 0.00 -0.37 0.00 0.00 57.07 56.32 1afp s TYR 8 Cb -0.03 -1.37 -0.21 0.00 -0.40 0.00 0.00 41.96 39.94 1afp s TYR 8 CO 0.04 0.34 0.44 1.57 -1.57 0.00 0.00 175.55 176.37 1afp h LYS 9 N 3.97 0.00 -0.73 -0.62 2.10 -1.80 1.60 116.57 121.10 1afp h LYS 9 Ca -0.49 0.00 0.18 0.00 -2.00 0.00 0.00 60.65 58.34 1afp h LYS 9 Cb 1.16 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.45 1afp h LYS 9 CO 0.46 0.94 0.51 -0.22 -2.00 0.00 0.00 179.45 179.14 1afp h LYS 10 N -1.00 0.18 0.00 0.07 3.64 -1.97 0.91 116.57 118.41 1afp h LYS 10 Ca -0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1afp h LYS 10 Cb 1.11 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1afp h LYS 10 CO -0.11 0.12 -1.38 -0.25 -2.27 0.00 0.00 179.45 175.56 1afp n ASP 11 N -4.40 1.22 -3.99 4.20 10.43 -1.25 -5.00 116.55 117.75 1afp n ASP 11 Ca 0.14 -0.28 -0.32 0.00 2.57 0.00 0.00 54.79 56.91 1afp n ASP 11 Cb 0.68 1.48 -0.01 0.00 1.84 0.00 0.00 41.12 45.10 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 -1.81 -1.84 -3.85 -2.24 5.15 0.54 -4.91 115.26 106.30 1afp n ASN 12 Ca -0.01 -1.12 -0.12 0.00 -0.60 0.00 0.00 54.58 52.74 1afp n ASN 12 Cb 0.35 -2.59 -0.11 0.00 -0.53 0.00 0.00 39.78 36.90 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 -3.86 0.05 -0.39 -1.44 -5.25 -0.52 -1.82 121.20 107.97 1afp s ILE 13 Ca 0.19 -0.41 -0.19 0.00 -0.99 0.00 0.00 60.65 59.25 1afp s ILE 13 Cb -0.09 -0.36 0.01 0.00 2.95 0.00 0.00 42.46 44.97 1afp s ILE 13 CO 0.92 -0.23 0.53 0.00 -1.79 0.00 0.00 174.94 174.37 1afp s LYS 15 N 2.45 3.04 0.02 0.00 3.01 0.57 -2.15 119.74 126.67 1afp s LYS 15 Ca 0.18 -1.14 0.00 0.00 -1.01 0.00 0.00 55.97 54.00 1afp s LYS 15 Cb -0.15 -4.11 -0.00 0.00 -1.01 0.00 0.00 37.83 32.56 1afp s LYS 15 CO 0.15 -1.08 0.01 2.48 0.51 0.00 0.00 175.35 177.42 1afp n TYR 16 N 5.57 -0.01 -2.43 3.18 4.11 -0.16 -1.91 117.16 125.51 1afp n TYR 16 Ca -0.10 -0.13 -0.32 0.00 -0.00 0.00 0.00 57.90 57.35 1afp n TYR 16 Cb 0.45 0.01 -0.03 0.00 -0.00 0.00 0.00 39.34 39.76 1afp n TYR 16 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1afp s LYS 17 N -2.07 3.93 -0.45 -3.48 -0.14 -1.26 0.19 119.74 116.46 1afp s LYS 17 Ca 0.01 0.91 0.03 0.00 -1.36 0.00 0.00 55.97 55.57 1afp s LYS 17 Cb 0.00 -2.16 0.46 0.00 -1.68 0.00 0.00 37.83 34.45 1afp s LYS 17 CO 0.01 -0.26 1.57 0.00 -0.76 0.00 0.00 175.35 175.91 1afp n ALA 18 N -1.58 5.55 0.00 5.17 0.00 -1.26 -4.09 120.51 124.30 1afp n ALA 18 Ca 0.06 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.88 1afp n ALA 18 Cb 0.54 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.82 0.00 -0.29 0.00 -0.06 -1.26 -4.24 117.38 110.71 1afp n GLN 19 Ca 0.52 0.00 0.34 0.00 -2.00 0.00 0.00 57.00 55.85 1afp n GLN 19 Cb 0.85 0.00 0.74 0.00 -4.06 0.00 0.00 30.24 27.77 1afp n GLN 19 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1afp h SER 20 N 0.00 0.01 0.00 1.69 4.64 -1.99 -3.44 113.55 114.46 1afp h SER 20 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1afp h SER 20 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1afp h SER 20 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1afp n GLY 21 N -1.75 1.76 0.00 -0.77 0.00 -1.26 -5.07 105.19 98.10 1afp n GLY 21 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.04 0.00 -3.53 1.61 4.81 -1.26 -4.78 118.16 114.97 1afp n LYS 22 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1afp n LYS 22 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 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 -0.01 3.15 2.01 -1.26 -4.31 115.64 115.22 1afp s THR 23 Ca 0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1afp s THR 23 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1afp s THR 23 CO 0.00 0.00 -0.06 0.00 -0.69 0.00 0.00 174.62 173.87 1afp s ALA 24 N -1.09 0.58 -0.01 7.40 0.00 0.50 -4.38 121.76 124.76 1afp s ALA 24 Ca -0.09 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1afp s ALA 24 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1afp s ALA 24 CO 0.09 0.11 -0.09 0.42 0.00 0.00 0.00 175.76 176.28 1afp s ILE 25 N 0.05 3.46 -0.25 0.00 1.01 -1.26 -0.99 121.20 123.23 1afp s ILE 25 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1afp s ILE 25 Cb -0.05 -2.46 0.13 0.00 0.01 0.00 0.00 42.46 40.09 1afp s ILE 25 CO -0.00 0.45 0.34 0.00 0.00 0.00 0.00 174.94 175.74 1afp n LYS 27 N 5.35 0.00 -2.57 0.00 5.02 -1.26 -1.58 118.16 123.12 1afp n LYS 27 Ca -0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 1afp n LYS 27 Cb 0.49 -0.97 -0.02 0.00 -0.02 0.00 0.00 35.03 34.51 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp n TYR 29 N 6.43 1.22 0.00 0.00 4.11 -1.26 -4.70 117.16 122.96 1afp n TYR 29 Ca 0.13 -0.54 0.00 0.00 -0.00 0.00 0.00 57.90 57.49 1afp n TYR 29 Cb 0.46 -0.11 0.00 0.00 -0.00 0.00 0.00 39.34 39.69 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 1.46 0.00 -1.56 -3.48 0.24 -1.26 -4.94 118.33 108.79 1afp n VAL 30 Ca 0.25 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.23 1afp n VAL 30 Cb 0.74 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.13 1afp n VAL 30 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1afp n LYS 31 N 0.00 2.51 -1.65 7.34 5.02 -1.26 -4.97 118.16 125.15 1afp n LYS 31 Ca 0.00 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 1afp n LYS 31 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1afp n LYS 32 N -0.02 -4.37 -1.79 1.97 4.81 -1.26 -4.78 118.16 112.72 1afp n LYS 32 Ca 0.51 3.31 -0.40 0.00 -0.87 0.00 0.00 58.31 60.86 1afp n LYS 32 Cb 0.45 -3.93 0.01 0.00 0.02 0.00 0.00 35.03 31.58 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp h PRO 34 N 2.55 0.26 -1.05 0.00 0.13 -1.90 -3.38 132.00 128.60 1afp h PRO 34 Ca -0.51 -0.26 0.26 0.00 -0.87 0.00 0.00 66.00 64.63 1afp h PRO 34 Cb 1.26 0.07 -0.26 0.00 0.13 0.00 0.00 31.00 32.19 1afp h PRO 34 CO 0.62 0.95 0.97 -0.98 -0.23 0.00 0.00 178.00 179.33 1afp s ARG 35 N -3.36 0.05 0.10 0.86 1.70 -1.26 -4.88 118.95 112.15 1afp s ARG 35 Ca -0.04 0.00 -0.35 0.00 -0.47 0.00 0.00 55.73 54.88 1afp s ARG 35 Cb 0.10 0.02 -0.14 0.00 -0.57 0.00 0.00 34.95 34.36 1afp s ARG 35 CO 0.83 -0.02 1.57 -3.47 -1.08 0.00 0.00 175.30 173.14 1afp n ASP 36 N 0.41 2.81 0.00 -2.89 2.03 -1.26 -1.22 116.55 116.43 1afp n ASP 36 Ca 0.01 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.40 1afp n ASP 36 Cb 0.58 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1afp n GLY 37 N 3.39 2.33 3.53 0.27 0.00 -0.98 -5.00 105.19 108.73 1afp n GLY 37 Ca 0.18 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.55 0.04 -1.68 4.61 0.00 -0.36 -4.52 120.51 118.04 1afp n ALA 38 Ca 0.00 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1afp n ALA 38 Cb 0.00 -2.21 0.06 0.00 0.00 0.00 0.00 19.45 17.30 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 4.78 2.60 0.06 0.00 2.20 -1.26 0.62 119.74 128.74 1afp s LYS 39 Ca 1.08 1.96 -0.27 0.00 -0.36 0.00 0.00 55.97 58.38 1afp s LYS 39 Cb -1.21 -1.87 0.09 0.00 -1.51 0.00 0.00 37.83 33.33 1afp s LYS 39 CO 0.65 -1.53 0.80 0.00 -0.36 0.00 0.00 175.35 174.90 1afp s GLU 41 N -3.34 1.04 -0.44 0.00 2.02 -1.24 -0.49 118.70 116.26 1afp s GLU 41 Ca 0.04 -0.56 -0.15 0.00 0.02 0.00 0.00 54.97 54.32 1afp s GLU 41 Cb -0.01 -1.02 0.04 0.00 0.10 0.00 0.00 34.13 33.24 1afp s GLU 41 CO -0.10 0.27 0.34 0.12 0.02 0.00 0.00 175.26 175.91 1afp s PHE 42 N -0.47 3.24 -0.44 1.61 2.19 0.29 -2.02 117.98 122.39 1afp s PHE 42 Ca 0.04 -0.75 -0.28 0.00 0.33 0.00 0.00 56.93 56.27 1afp s PHE 42 Cb -0.06 -2.83 -0.02 0.00 -1.31 0.00 0.00 43.02 38.80 1afp s PHE 42 CO 0.00 -0.68 1.79 -0.51 1.83 0.00 0.00 175.22 177.65 1afp s ASP 43 N 2.07 5.71 0.00 6.13 1.11 -1.26 -1.88 116.67 128.55 1afp s ASP 43 Ca 0.05 0.92 0.25 0.00 0.18 0.00 0.00 52.55 53.95 1afp s ASP 43 Cb -0.21 -2.53 1.50 0.00 1.07 0.00 0.00 42.92 42.75 1afp s ASP 43 CO 0.08 -1.92 1.87 -1.54 1.18 0.00 0.00 175.17 174.84 1afp n SER 44 N 11.05 0.00 0.08 0.27 3.41 -1.26 0.02 113.62 127.18 1afp n SER 44 Ca 0.22 -0.85 -0.13 0.00 -0.26 0.00 0.00 58.87 57.84 1afp n SER 44 Cb 0.49 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 1afp n SER 44 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1afp h TYR 45 N 0.00 0.52 0.00 7.33 0.05 -1.94 -3.41 116.97 119.52 1afp h TYR 45 Ca 0.00 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1afp h TYR 45 Cb 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1afp h TYR 45 CO 0.00 1.14 -0.64 1.63 -1.05 0.00 0.00 178.16 179.24 1afp n LYS 46 N -3.69 0.00 0.00 4.88 5.02 -1.15 -5.06 118.16 118.16 1afp n LYS 46 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1afp n LYS 46 Cb 0.86 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 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 2.62 1.65 0.00 0.72 0.00 0.10 -5.10 105.19 105.18 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 -0.39 0.00 0.00 1.61 4.76 -1.24 -4.96 118.16 117.94 1afp n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1afp n LYS 48 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp n TYR 50 N 0.00 0.92 1.91 0.00 4.02 -0.86 -4.27 117.16 118.88 1afp n TYR 50 Ca 0.00 -1.49 0.16 0.00 -0.01 0.00 0.00 57.90 56.55 1afp n TYR 50 Cb 0.00 -1.33 0.87 0.00 -0.02 0.00 0.00 39.34 38.86 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85