#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 4.97 -0.15 0.00 2.01 -1.26 -3.84 115.64 117.37 1afp s THR 2 Ca 0.00 0.71 0.01 0.00 0.31 0.00 0.00 61.69 62.72 1afp s THR 2 Cb 0.00 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1afp s THR 2 CO 0.00 0.34 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.77 1afp s TYR 3 N -1.35 2.72 0.47 4.92 1.51 -0.28 -4.89 117.35 120.45 1afp s TYR 3 Ca 0.33 -1.27 -0.03 0.00 -1.01 0.00 0.00 57.07 55.09 1afp s TYR 3 Cb -0.15 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1afp s TYR 3 CO 0.18 -0.59 0.73 -0.80 -1.11 0.00 0.00 175.55 173.96 1afp s ASN 4 N 0.88 6.04 0.00 2.29 0.02 -1.26 0.16 114.94 123.07 1afp s ASN 4 Ca -0.05 0.64 0.00 0.00 -1.02 0.00 0.00 52.86 52.43 1afp s ASN 4 Cb -0.15 -1.93 0.00 0.00 0.02 0.00 0.00 41.25 39.18 1afp s ASN 4 CO -0.02 -0.64 0.00 0.61 0.02 0.00 0.00 177.10 177.06 1afp n GLY 5 N -2.18 -0.77 3.16 0.66 0.00 0.39 -4.14 105.19 102.31 1afp n GLY 5 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.27 0.98 0.26 1.61 1.02 -0.27 -2.53 119.74 120.53 1afp s LYS 6 Ca 0.00 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.53 1afp s LYS 6 Cb 0.00 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 1afp s LYS 6 CO 0.00 -0.27 0.14 0.00 -0.92 0.00 0.00 175.35 174.30 1afp s TYR 8 N -3.80 0.52 -0.02 0.00 1.51 0.84 -0.47 117.35 115.93 1afp s TYR 8 Ca 0.38 -0.10 -0.25 0.00 -1.01 0.00 0.00 57.07 56.09 1afp s TYR 8 Cb 0.06 -0.47 -0.20 0.00 -0.11 0.00 0.00 41.96 41.25 1afp s TYR 8 CO 0.15 -0.11 1.21 1.57 -1.11 0.00 0.00 175.55 177.26 1afp h LYS 9 N 6.82 0.10 -0.03 -0.62 5.09 -1.80 2.01 116.57 128.14 1afp h LYS 9 Ca -0.37 -0.07 0.04 0.00 0.09 0.00 0.00 60.65 60.34 1afp h LYS 9 Cb 1.16 0.01 -0.05 0.00 0.10 0.00 0.00 32.23 33.45 1afp h LYS 9 CO 0.49 0.65 -0.28 -0.22 -2.09 0.00 0.00 179.45 177.99 1afp h LYS 10 N -0.43 -0.39 -0.00 0.07 3.11 -1.95 0.62 116.57 117.60 1afp h LYS 10 Ca 0.00 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1afp h LYS 10 Cb 0.65 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1afp h LYS 10 CO 0.01 -0.26 -0.10 -0.25 -2.81 0.00 0.00 179.45 176.04 1afp n ASP 11 N -5.39 0.16 -4.16 4.20 8.00 -1.23 -4.92 116.55 113.20 1afp n ASP 11 Ca -0.04 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 1afp n ASP 11 Cb 0.30 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1afp n ASN 12 N -1.37 -2.18 -4.06 -2.24 2.85 0.67 -4.85 115.26 104.06 1afp n ASN 12 Ca 0.09 -1.28 -0.13 0.00 -0.11 0.00 0.00 54.58 53.16 1afp n ASN 12 Cb 0.31 -1.55 -0.09 0.00 1.24 0.00 0.00 39.78 39.69 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 -3.86 0.00 -0.10 -1.44 -5.25 -0.29 -1.43 121.20 108.84 1afp s ILE 13 Ca 0.31 -1.95 0.01 0.00 -0.99 0.00 0.00 60.65 58.03 1afp s ILE 13 Cb -0.17 -2.48 0.02 0.00 2.95 0.00 0.00 42.46 42.78 1afp s ILE 13 CO 0.97 0.00 -0.11 0.00 -1.79 0.00 0.00 174.94 174.01 1afp s LYS 15 N 1.27 3.77 0.22 0.00 1.02 0.44 0.19 119.74 126.65 1afp s LYS 15 Ca -0.02 -0.36 -0.18 0.00 0.02 0.00 0.00 55.97 55.42 1afp s LYS 15 Cb -0.14 -3.11 0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1afp s LYS 15 CO -0.04 0.36 0.56 1.52 -0.92 0.00 0.00 175.35 176.84 1afp s TYR 16 N 0.10 -0.11 0.17 3.18 1.13 -0.01 -1.12 117.35 120.69 1afp s TYR 16 Ca 0.04 -0.25 -0.30 0.00 -1.41 0.00 0.00 57.07 55.15 1afp s TYR 16 Cb -0.12 0.45 -0.07 0.00 -1.10 0.00 0.00 41.96 41.11 1afp s TYR 16 CO 0.01 -0.99 1.07 0.15 -2.51 0.00 0.00 175.55 173.28 1afp s LYS 17 N -3.89 4.62 0.09 -3.49 1.02 -1.26 0.20 119.74 117.03 1afp s LYS 17 Ca 0.11 1.67 -0.02 0.00 0.02 0.00 0.00 55.97 57.75 1afp s LYS 17 Cb -0.02 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 34.02 1afp s LYS 17 CO -0.00 0.11 0.10 0.00 -0.92 0.00 0.00 175.35 174.64 1afp n ALA 18 N 2.45 -0.20 0.27 5.17 0.00 -1.25 -4.75 120.51 122.20 1afp n ALA 18 Ca 0.03 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1afp n ALA 18 Cb 0.47 -0.01 0.74 0.00 0.00 0.00 0.00 19.45 20.65 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 0.00 0.00 0.01 0.00 4.15 -1.96 -0.49 115.11 116.82 1afp h GLN 19 Ca -0.04 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.17 1afp h GLN 19 Cb 0.10 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1afp h GLN 19 CO 0.02 0.04 -1.01 0.77 -1.93 0.00 0.00 178.83 176.73 1afp h SER 20 N 0.00 0.05 0.00 -0.69 0.02 -1.97 -3.47 113.55 107.49 1afp h SER 20 Ca -0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1afp h SER 20 Cb 0.09 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1afp h SER 20 CO 0.01 1.02 0.00 0.61 -1.14 0.00 0.00 176.83 177.32 1afp n GLY 21 N 1.31 0.90 0.00 -3.77 0.00 -0.19 -5.06 105.19 98.38 1afp n GLY 21 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1afp n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1afp n LYS 22 N -0.74 0.00 -4.01 1.61 5.02 -1.26 -4.50 118.16 114.28 1afp n LYS 22 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1afp n LYS 22 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1afp n LYS 22 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1afp s THR 23 N 0.00 0.01 -0.30 -0.18 2.01 -1.26 -4.21 115.64 111.71 1afp s THR 23 Ca 0.00 -1.45 -0.17 0.00 0.31 0.00 0.00 61.69 60.39 1afp s THR 23 Cb 0.00 -2.18 0.18 0.00 0.01 0.00 0.00 72.50 70.51 1afp s THR 23 CO 0.00 -0.03 1.14 0.00 -0.69 0.00 0.00 174.62 175.03 1afp s ALA 24 N -4.02 -2.71 -0.09 7.40 0.00 0.53 -3.86 121.76 119.01 1afp s ALA 24 Ca 0.23 2.01 -0.15 0.00 0.00 0.00 0.00 51.96 54.05 1afp s ALA 24 Cb 0.01 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1afp s ALA 24 CO 0.08 -0.60 0.39 0.42 0.00 0.00 0.00 175.76 176.05 1afp s ILE 25 N 1.63 5.17 -0.34 0.00 1.01 -1.26 -0.83 121.20 126.59 1afp s ILE 25 Ca -0.05 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1afp s ILE 25 Cb -0.03 -3.71 0.11 0.00 0.01 0.00 0.00 42.46 38.84 1afp s ILE 25 CO -0.14 0.45 0.12 0.00 0.00 0.00 0.00 174.94 175.37 1afp n LYS 27 N 4.55 0.00 -2.94 0.00 4.01 -1.26 -0.83 118.16 121.68 1afp n LYS 27 Ca 0.01 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.39 1afp n LYS 27 Cb 0.40 -0.93 -0.05 0.00 -0.51 0.00 0.00 35.03 33.95 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp s TYR 29 N 3.07 3.28 0.00 0.00 5.04 -1.26 -4.52 117.35 122.95 1afp s TYR 29 Ca 0.32 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1afp s TYR 29 Cb -0.13 -2.15 0.00 0.00 0.35 0.00 0.00 41.96 40.02 1afp s TYR 29 CO 0.15 0.11 0.00 0.28 -1.34 0.00 0.00 175.55 174.75 1afp n VAL 30 N 3.84 0.00 -0.95 3.14 0.31 -1.26 -4.39 118.33 119.02 1afp n VAL 30 Ca -0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.88 1afp n VAL 30 Cb 0.52 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.43 1afp n VAL 30 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1afp n LYS 31 N 0.00 2.44 -0.95 5.55 4.81 -1.26 -4.92 118.16 123.83 1afp n LYS 31 Ca 0.00 -1.71 -0.35 0.00 -0.87 0.00 0.00 58.31 55.38 1afp n LYS 31 Cb 0.00 -2.61 0.07 0.00 0.02 0.00 0.00 35.03 32.51 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1afp n LYS 32 N 4.40 -0.08 -2.13 1.64 4.81 -1.26 -4.25 118.16 121.29 1afp n LYS 32 Ca 0.53 -0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.56 1afp n LYS 32 Cb 0.19 -1.32 -0.02 0.00 0.02 0.00 0.00 35.03 33.90 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 3.76 0.49 -1.42 0.00 0.13 -1.89 -3.37 132.00 129.71 1afp h PRO 34 Ca -0.48 -0.48 0.11 0.00 -0.87 0.00 0.00 66.00 64.28 1afp h PRO 34 Cb 1.22 0.12 -0.27 0.00 0.13 0.00 0.00 31.00 32.21 1afp h PRO 34 CO 0.68 1.12 0.63 -0.98 -0.23 0.00 0.00 178.00 179.22 1afp s ARG 35 N -3.39 0.39 0.08 0.86 1.70 -1.26 -4.77 118.95 112.56 1afp s ARG 35 Ca -0.13 0.28 -0.34 0.00 -0.47 0.00 0.00 55.73 55.08 1afp s ARG 35 Cb 0.05 0.19 -0.18 0.00 -0.57 0.00 0.00 34.95 34.43 1afp s ARG 35 CO 0.84 -0.08 0.81 -3.47 -1.08 0.00 0.00 175.30 172.31 1afp n ASP 36 N 1.41 -0.53 0.00 -2.89 2.03 -1.26 0.92 116.55 116.23 1afp n ASP 36 Ca -0.10 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1afp n ASP 36 Cb 0.57 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 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 1.67 3.07 3.66 0.27 0.00 0.38 -4.97 105.19 109.28 1afp n GLY 37 Ca 0.19 0.00 -0.65 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 -0.65 -2.14 -1.78 4.61 0.00 0.26 -4.23 120.51 116.60 1afp n ALA 38 Ca 0.00 0.53 -0.36 0.00 0.00 0.00 0.00 53.44 53.61 1afp n ALA 38 Cb 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 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 1.94 3.74 0.16 0.00 2.36 -1.26 0.20 119.74 126.87 1afp s LYS 39 Ca 1.00 1.64 -0.24 0.00 -2.55 0.00 0.00 55.97 55.82 1afp s LYS 39 Cb -1.41 -2.29 0.07 0.00 -1.05 0.00 0.00 37.83 33.15 1afp s LYS 39 CO 0.73 -0.54 0.68 0.00 1.55 0.00 0.00 175.35 177.77 1afp s GLU 41 N -3.66 1.83 -0.27 0.00 1.03 -1.26 -0.46 118.70 115.92 1afp s GLU 41 Ca 0.04 -0.59 -0.18 0.00 0.03 0.00 0.00 54.97 54.27 1afp s GLU 41 Cb -0.02 -1.56 -0.03 0.00 -0.80 0.00 0.00 34.13 31.72 1afp s GLU 41 CO -0.08 0.20 0.51 0.12 -1.33 0.00 0.00 175.26 174.68 1afp s PHE 42 N 0.15 3.25 -0.21 4.83 5.36 0.43 -2.69 117.98 129.10 1afp s PHE 42 Ca -0.06 0.57 -0.19 0.00 -0.96 0.00 0.00 56.93 56.29 1afp s PHE 42 Cb -0.12 -2.74 -0.03 0.00 -0.34 0.00 0.00 43.02 39.79 1afp s PHE 42 CO 0.03 -0.31 0.53 -0.51 -1.46 0.00 0.00 175.22 173.50 1afp s ASP 43 N 1.58 6.55 0.32 6.13 1.01 -1.25 -1.12 116.67 129.89 1afp s ASP 43 Ca 0.20 0.66 0.26 0.00 0.71 0.00 0.00 52.55 54.39 1afp s ASP 43 Cb -0.16 -2.30 0.92 0.00 1.01 0.00 0.00 42.92 42.40 1afp s ASP 43 CO 0.10 -0.22 1.77 0.77 0.21 0.00 0.00 175.17 177.80 1afp h SER 44 N 7.58 0.00 -0.20 0.27 4.64 -1.95 0.75 113.55 124.64 1afp h SER 44 Ca -0.32 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.06 1afp h SER 44 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1afp h SER 44 CO 0.74 0.00 0.32 0.10 -0.87 0.00 0.00 176.83 177.12 1afp h TYR 45 N 0.00 0.00 0.00 4.77 -0.00 -1.91 -3.38 116.97 116.45 1afp h TYR 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1afp h TYR 45 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.31 1afp h TYR 45 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 178.16 179.33 1afp n LYS 46 N -3.46 0.00 0.00 0.10 4.81 -1.16 -5.03 118.16 113.42 1afp n LYS 46 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1afp n LYS 46 Cb 0.44 -0.03 0.00 0.00 0.02 0.00 0.00 35.03 35.45 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1afp n GLY 47 N -0.94 1.48 3.67 3.14 0.00 0.26 -5.06 105.19 107.73 1afp n GLY 47 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1afp n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1afp s LYS 48 N -0.15 4.23 -0.76 1.61 2.36 -1.25 -4.77 119.74 121.01 1afp s LYS 48 Ca 0.00 1.88 -0.25 0.00 -2.55 0.00 0.00 55.97 55.05 1afp s LYS 48 Cb 0.00 -3.78 -0.04 0.00 -1.05 0.00 0.00 37.83 32.96 1afp s LYS 48 CO 0.00 -0.71 1.94 0.00 1.55 0.00 0.00 175.35 178.14 1afp n TYR 50 N 13.71 1.36 0.26 0.00 4.02 -1.10 -4.51 117.16 130.90 1afp n TYR 50 Ca 0.32 -1.97 0.02 0.00 -0.01 0.00 0.00 57.90 56.26 1afp n TYR 50 Cb 0.49 -1.68 0.12 0.00 -0.02 0.00 0.00 39.34 38.26 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85