#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 4.54 0.35 0.00 2.01 -1.26 -4.17 115.64 117.11 1afp s THR 2 Ca 0.00 2.00 -0.01 0.00 0.31 0.00 0.00 61.69 63.99 1afp s THR 2 Cb 0.00 -4.29 0.07 0.00 0.01 0.00 0.00 72.50 68.29 1afp s THR 2 CO 0.00 0.32 0.47 -1.22 -0.69 0.00 0.00 174.62 173.51 1afp n TYR 3 N 2.80 -3.28 -3.70 4.92 4.01 -0.82 -4.82 117.16 116.27 1afp n TYR 3 Ca 0.02 -0.77 -0.14 0.00 -0.16 0.00 0.00 57.90 56.85 1afp n TYR 3 Cb 0.49 -0.35 -0.09 0.00 -0.31 0.00 0.00 39.34 39.09 1afp n TYR 3 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1afp s ASN 4 N -2.89 -0.46 0.00 7.72 0.01 -1.26 -2.90 114.94 115.16 1afp s ASN 4 Ca 0.31 0.79 0.00 0.00 -0.71 0.00 0.00 52.86 53.25 1afp s ASN 4 Cb -0.02 0.83 0.00 0.00 0.41 0.00 0.00 41.25 42.47 1afp s ASN 4 CO 0.20 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 1afp n GLY 5 N 2.36 1.52 3.22 0.66 0.00 -0.11 -4.46 105.19 108.38 1afp n GLY 5 Ca -0.15 0.24 -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 3.84 1.07 0.02 1.61 1.02 -0.14 -3.02 119.74 124.14 1afp s LYS 6 Ca 0.00 -1.43 -0.05 0.00 0.02 0.00 0.00 55.97 54.51 1afp s LYS 6 Cb 0.00 0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.59 1afp s LYS 6 CO 0.00 -0.34 0.09 0.00 -0.92 0.00 0.00 175.35 174.17 1afp s TYR 8 N -1.88 2.72 -0.08 0.00 2.02 -0.83 -1.71 117.35 117.58 1afp s TYR 8 Ca -0.11 -0.35 -0.26 0.00 -0.37 0.00 0.00 57.07 55.98 1afp s TYR 8 Cb -0.06 -1.69 -0.24 0.00 -0.40 0.00 0.00 41.96 39.57 1afp s TYR 8 CO -0.01 0.04 0.96 1.57 -1.57 0.00 0.00 175.55 176.53 1afp h LYS 9 N 5.81 0.09 -0.61 -0.62 5.09 -1.80 1.66 116.57 126.20 1afp h LYS 9 Ca -0.39 -0.11 0.09 0.00 0.09 0.00 0.00 60.65 60.33 1afp h LYS 9 Cb 1.17 0.03 -0.07 0.00 0.10 0.00 0.00 32.23 33.47 1afp h LYS 9 CO 0.52 0.91 0.24 -0.22 -2.09 0.00 0.00 179.45 178.80 1afp h LYS 10 N -0.68 0.42 0.00 0.07 3.64 -1.92 0.86 116.57 118.96 1afp h LYS 10 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1afp h LYS 10 Cb 0.97 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1afp h LYS 10 CO 0.03 0.28 -0.55 -0.25 -2.27 0.00 0.00 179.45 176.69 1afp n ASP 11 N -4.97 0.53 -3.99 4.20 10.43 -1.24 -4.97 116.55 116.54 1afp n ASP 11 Ca 0.08 -0.25 -0.39 0.00 2.57 0.00 0.00 54.79 56.80 1afp n ASP 11 Cb 0.26 0.29 0.01 0.00 1.84 0.00 0.00 41.12 43.52 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 -1.56 -4.31 -3.56 -2.24 4.05 0.55 -4.90 115.26 103.30 1afp n ASN 12 Ca 0.05 -1.19 -0.17 0.00 0.45 0.00 0.00 54.58 53.72 1afp n ASN 12 Cb 0.35 -1.57 -0.08 0.00 1.23 0.00 0.00 39.78 39.70 1afp n ASN 12 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1afp s ILE 13 N -3.34 0.00 -0.21 -1.44 -5.25 -0.37 -2.66 121.20 107.93 1afp s ILE 13 Ca 0.32 -1.95 -0.01 0.00 -0.99 0.00 0.00 60.65 58.02 1afp s ILE 13 Cb -0.18 -2.51 0.06 0.00 2.95 0.00 0.00 42.46 42.78 1afp s ILE 13 CO 0.94 0.00 -0.01 0.00 -1.79 0.00 0.00 174.94 174.08 1afp s LYS 15 N 1.62 3.82 0.00 0.00 1.02 0.22 0.10 119.74 126.54 1afp s LYS 15 Ca -0.03 -0.09 -0.28 0.00 0.02 0.00 0.00 55.97 55.59 1afp s LYS 15 Cb -0.18 -3.30 0.09 0.00 -0.52 0.00 0.00 37.83 33.93 1afp s LYS 15 CO -0.07 0.55 0.81 1.52 -0.92 0.00 0.00 175.35 177.24 1afp s TYR 16 N -0.39 -0.43 -0.60 3.18 1.13 -1.26 -0.96 117.35 118.01 1afp s TYR 16 Ca 0.14 0.42 -0.20 0.00 -1.41 0.00 0.00 57.07 56.01 1afp s TYR 16 Cb -0.12 0.51 0.08 0.00 -1.10 0.00 0.00 41.96 41.33 1afp s TYR 16 CO 0.03 -0.59 0.79 0.21 -2.51 0.00 0.00 175.55 173.48 1afp s LYS 17 N -2.71 3.10 1.05 -3.49 2.36 -1.26 -4.13 119.74 114.66 1afp s LYS 17 Ca 0.01 -1.02 -0.23 0.00 -2.55 0.00 0.00 55.97 52.18 1afp s LYS 17 Cb -0.01 -4.21 -0.06 0.00 -1.05 0.00 0.00 37.83 32.50 1afp s LYS 17 CO -0.06 -1.57 -0.82 0.00 1.55 0.00 0.00 175.35 174.45 1afp n ALA 18 N 6.83 -5.04 0.22 3.13 0.00 -1.26 -4.74 120.51 119.65 1afp n ALA 18 Ca -0.06 -1.31 0.06 0.00 0.00 0.00 0.00 53.44 52.13 1afp n ALA 18 Cb 0.44 -1.14 0.51 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.48 0.00 -0.01 0.00 -0.00 -1.97 -2.66 115.11 109.00 1afp h GLN 19 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 1afp h GLN 19 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.86 1afp h GLN 19 CO 0.29 0.23 -0.00 -1.13 0.00 0.00 0.00 178.83 178.21 1afp n SER 20 N -4.08 1.38 0.00 -0.69 3.41 -1.26 -4.96 113.62 107.42 1afp n SER 20 Ca -0.02 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1afp n SER 20 Cb 0.30 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.29 0.75 0.28 5.00 0.00 -1.00 -4.87 105.19 105.63 1afp n GLY 21 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 2.12 0.95 0.00 1.61 3.64 -1.93 -3.44 116.57 119.52 1afp h LYS 22 Ca 0.00 -0.26 -0.23 0.00 -1.27 0.00 0.00 60.65 58.89 1afp h LYS 22 Cb 0.04 -0.11 0.10 0.00 -0.41 0.00 0.00 32.23 31.85 1afp h LYS 22 CO 0.00 0.91 0.18 -2.37 -2.27 0.00 0.00 179.45 175.89 1afp n THR 23 N -4.33 0.00 0.00 1.00 5.66 -1.26 -5.02 114.28 110.33 1afp n THR 23 Ca 0.02 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 1afp n THR 23 Cb 0.27 -1.53 0.00 0.00 -1.55 0.00 0.00 70.33 67.53 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 -3.67 0.00 -1.76 1.79 0.00 -1.26 -4.44 120.51 111.18 1afp n ALA 24 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1afp n ALA 24 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -5.66 -3.20 0.00 5.41 -1.23 -4.94 119.36 109.73 1afp n ILE 25 Ca 0.00 2.59 0.01 0.00 1.00 0.00 0.00 62.75 66.35 1afp n ILE 25 Cb 0.00 -3.50 -0.03 0.00 -0.71 0.00 0.00 39.64 35.40 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 5.41 0.00 0.00 0.00 4.01 -1.26 -0.79 118.16 125.53 1afp n LYS 27 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1afp n LYS 27 Cb 0.51 -0.87 0.00 0.00 -0.51 0.00 0.00 35.03 34.16 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 -0.27 -0.11 0.00 0.00 6.14 -1.26 -4.91 117.35 116.94 1afp s TYR 29 Ca 0.00 0.19 0.00 0.00 0.64 0.00 0.00 57.07 57.90 1afp s TYR 29 Cb 0.00 0.06 0.00 0.00 0.42 0.00 0.00 41.96 42.44 1afp s TYR 29 CO 0.00 -0.05 0.00 0.28 0.64 0.00 0.00 175.55 176.42 1afp n VAL 30 N 4.25 0.00 -1.26 3.14 0.31 -1.26 -4.39 118.33 119.11 1afp n VAL 30 Ca -0.09 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.89 1afp n VAL 30 Cb 0.56 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.43 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 3.45 -1.04 5.55 4.01 -1.26 -4.95 118.16 123.92 1afp n LYS 31 Ca 0.00 -2.02 -0.35 0.00 -0.51 0.00 0.00 58.31 55.43 1afp n LYS 31 Cb 0.00 -2.68 0.03 0.00 -0.51 0.00 0.00 35.03 31.87 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1afp n LYS 32 N 3.41 0.00 -2.18 1.97 4.81 -1.26 -4.34 118.16 120.58 1afp n LYS 32 Ca 0.73 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.77 1afp n LYS 32 Cb 0.34 -0.96 -0.02 0.00 0.02 0.00 0.00 35.03 34.41 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 3.33 -0.24 -2.18 0.00 0.13 -1.89 -3.39 132.00 127.76 1afp h PRO 34 Ca -0.49 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1afp h PRO 34 Cb 1.23 0.06 -0.20 0.00 0.13 0.00 0.00 31.00 32.21 1afp h PRO 34 CO 0.65 0.03 0.08 -0.98 -0.23 0.00 0.00 178.00 177.56 1afp s ARG 35 N -2.80 0.90 0.11 0.86 1.70 -1.26 -4.67 118.95 113.77 1afp s ARG 35 Ca -0.08 0.46 -0.34 0.00 -0.47 0.00 0.00 55.73 55.30 1afp s ARG 35 Cb 0.00 0.43 -0.18 0.00 -0.57 0.00 0.00 34.95 34.62 1afp s ARG 35 CO 0.29 -0.22 0.78 -3.47 -1.08 0.00 0.00 175.30 171.60 1afp n ASP 36 N 1.67 -0.67 0.00 -2.89 -0.08 -1.25 0.48 116.55 113.81 1afp n ASP 36 Ca -0.17 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.25 1afp n ASP 36 Cb 0.56 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 43.08 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 1.77 2.99 3.57 0.27 0.00 -0.69 -4.97 105.19 108.13 1afp n GLY 37 Ca 0.19 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.37 -2.22 -1.78 4.61 0.00 0.18 -4.22 120.51 116.71 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 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 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 1.77 3.92 0.27 0.00 2.36 -1.26 0.19 119.74 127.00 1afp s LYS 39 Ca 0.97 1.56 -0.15 0.00 -2.55 0.00 0.00 55.97 55.80 1afp s LYS 39 Cb -1.38 -2.38 0.01 0.00 -1.05 0.00 0.00 37.83 33.03 1afp s LYS 39 CO 0.70 -0.37 0.57 0.00 1.55 0.00 0.00 175.35 177.81 1afp s GLU 41 N -3.88 0.64 -0.40 0.00 -1.05 -1.26 -0.94 118.70 111.82 1afp s GLU 41 Ca 0.19 -0.76 -0.10 0.00 -0.15 0.00 0.00 54.97 54.15 1afp s GLU 41 Cb -0.03 -0.52 0.06 0.00 -0.44 0.00 0.00 34.13 33.20 1afp s GLU 41 CO 0.09 0.11 0.23 0.12 0.95 0.00 0.00 175.26 176.76 1afp s PHE 42 N -1.17 3.30 0.07 4.83 5.36 -1.14 -2.49 117.98 126.73 1afp s PHE 42 Ca -0.05 -1.34 -0.31 0.00 -0.96 0.00 0.00 56.93 54.27 1afp s PHE 42 Cb -0.09 -2.74 -0.06 0.00 -0.34 0.00 0.00 43.02 39.79 1afp s PHE 42 CO 0.01 -0.78 1.25 -0.51 -1.46 0.00 0.00 175.22 173.73 1afp s ASP 43 N 1.89 7.01 -0.03 6.13 1.11 -1.20 -1.94 116.67 129.63 1afp s ASP 43 Ca 0.02 2.08 0.14 0.00 0.18 0.00 0.00 52.55 54.97 1afp s ASP 43 Cb -0.22 -2.58 0.45 0.00 1.07 0.00 0.00 42.92 41.64 1afp s ASP 43 CO 0.04 -0.53 1.35 -1.54 1.18 0.00 0.00 175.17 175.66 1afp n SER 44 N 4.06 2.87 -0.01 0.27 3.41 -1.26 -2.13 113.62 120.82 1afp n SER 44 Ca 0.10 -2.12 -0.12 0.00 -0.26 0.00 0.00 58.87 56.47 1afp n SER 44 Cb 0.45 -0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.82 1.10 0.00 7.33 4.01 -1.26 -4.73 117.16 124.43 1afp n TYR 45 Ca 0.17 0.34 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 1afp n TYR 45 Cb 0.49 -1.18 0.00 0.00 -0.31 0.00 0.00 39.34 38.34 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 -3.18 0.00 0.00 -0.72 5.02 -1.25 -5.06 118.16 112.97 1afp n LYS 46 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1afp n LYS 46 Cb 1.05 -0.38 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 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 2.63 1.81 4.02 0.72 0.00 -0.91 -5.11 105.19 108.35 1afp n GLY 47 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1afp n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afp s LYS 48 N -0.09 2.21 -0.44 1.61 -0.14 -1.25 -4.95 119.74 116.68 1afp s LYS 48 Ca 0.00 -1.44 -0.00 0.00 -1.36 0.00 0.00 55.97 53.17 1afp s LYS 48 Cb 0.00 -2.58 0.12 0.00 -1.68 0.00 0.00 37.83 33.69 1afp s LYS 48 CO 0.00 -0.94 0.21 0.00 -0.76 0.00 0.00 175.35 173.85 1afp n TYR 50 N 4.13 0.99 0.00 0.00 4.02 -1.04 -4.55 117.16 120.71 1afp n TYR 50 Ca 0.02 -1.69 0.00 0.00 -0.01 0.00 0.00 57.90 56.22 1afp n TYR 50 Cb 0.40 -1.54 0.00 0.00 -0.02 0.00 0.00 39.34 38.18 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85