#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 2.92 0.75 0.00 2.01 -1.26 -4.47 115.64 115.59 1afp s THR 2 Ca 0.00 0.89 -0.00 0.00 0.31 0.00 0.00 61.69 62.88 1afp s THR 2 Cb 0.00 -3.57 0.14 0.00 0.01 0.00 0.00 72.50 69.09 1afp s THR 2 CO 0.00 0.19 1.02 -0.31 -0.69 0.00 0.00 174.62 174.84 1afp s TYR 3 N -0.86 1.28 -0.01 4.92 2.02 -1.01 -4.86 117.35 118.83 1afp s TYR 3 Ca 0.50 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1afp s TYR 3 Cb -0.38 -2.98 0.01 0.00 -0.40 0.00 0.00 41.96 38.21 1afp s TYR 3 CO 0.48 -1.85 0.02 -0.80 -1.57 0.00 0.00 175.55 171.83 1afp s ASN 4 N -4.80 -0.00 0.00 2.29 0.01 -1.26 -2.88 114.94 108.30 1afp s ASN 4 Ca 0.68 0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.87 1afp s ASN 4 Cb -0.04 0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.63 1afp s ASN 4 CO 0.45 -0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.61 1afp n GLY 5 N 3.35 3.38 3.21 0.66 0.00 0.07 -4.37 105.19 111.49 1afp n GLY 5 Ca -0.16 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 4.91 0.79 0.15 1.61 1.02 0.25 -2.61 119.74 125.84 1afp s LYS 6 Ca 0.00 -0.72 0.07 0.00 0.02 0.00 0.00 55.97 55.34 1afp s LYS 6 Cb 0.00 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.60 1afp s LYS 6 CO 0.00 -0.25 -0.15 0.00 -0.92 0.00 0.00 175.35 174.03 1afp s TYR 8 N -2.27 2.75 -0.00 0.00 2.02 -0.25 -1.83 117.35 117.78 1afp s TYR 8 Ca 0.13 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1afp s TYR 8 Cb -0.04 -2.14 -0.00 0.00 -0.40 0.00 0.00 41.96 39.38 1afp s TYR 8 CO 0.05 -0.11 -0.00 1.63 -1.57 0.00 0.00 175.55 175.54 1afp n LYS 9 N -1.56 0.01 0.00 -0.62 5.02 -1.26 -3.00 118.16 116.75 1afp n LYS 9 Ca 0.03 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1afp n LYS 9 Cb 0.61 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 1afp n LYS 9 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1afp n LYS 10 N -2.36 0.00 0.22 1.97 4.81 -1.26 0.99 118.16 122.53 1afp n LYS 10 Ca -0.00 0.64 0.14 0.00 -0.87 0.00 0.00 58.31 58.22 1afp n LYS 10 Cb 0.01 -1.19 0.77 0.00 0.02 0.00 0.00 35.03 34.63 1afp n LYS 10 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1afp h ASP 11 N 0.00 0.00 -6.87 3.14 3.45 -2.02 -3.45 116.42 110.67 1afp h ASP 11 Ca 0.00 0.00 -0.50 0.00 0.43 0.00 0.00 57.03 56.96 1afp h ASP 11 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1afp h ASP 11 CO 0.00 0.00 -0.92 -3.20 -1.57 0.00 0.00 179.24 173.55 1afp n ASN 12 N -2.51 -3.76 -4.36 6.45 5.15 0.28 -4.73 115.26 111.78 1afp n ASN 12 Ca -0.02 -1.05 -0.18 0.00 -0.60 0.00 0.00 54.58 52.73 1afp n ASN 12 Cb 0.08 -1.38 -0.10 0.00 -0.53 0.00 0.00 39.78 37.85 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 -3.42 0.91 -0.30 -1.44 -5.25 -1.21 -0.30 121.20 110.19 1afp s ILE 13 Ca 0.28 -2.01 -0.02 0.00 -0.99 0.00 0.00 60.65 57.91 1afp s ILE 13 Cb -0.16 -2.56 0.05 0.00 2.95 0.00 0.00 42.46 42.74 1afp s ILE 13 CO 0.83 -0.13 0.00 0.00 -1.79 0.00 0.00 174.94 173.85 1afp s LYS 15 N 1.26 3.74 0.10 0.00 -2.85 0.12 0.19 119.74 122.30 1afp s LYS 15 Ca -0.05 -0.48 -0.25 0.00 -1.00 0.00 0.00 55.97 54.19 1afp s LYS 15 Cb -0.20 -3.00 0.08 0.00 -2.06 0.00 0.00 37.83 32.65 1afp s LYS 15 CO -0.01 0.22 0.66 1.52 0.10 0.00 0.00 175.35 177.84 1afp s TYR 16 N 0.44 -0.53 -0.55 1.78 1.13 -1.26 -0.59 117.35 117.77 1afp s TYR 16 Ca -0.02 0.44 -0.23 0.00 -1.41 0.00 0.00 57.07 55.85 1afp s TYR 16 Cb -0.14 0.53 0.05 0.00 -1.10 0.00 0.00 41.96 41.30 1afp s TYR 16 CO 0.02 -0.77 0.91 0.21 -2.51 0.00 0.00 175.55 173.41 1afp s LYS 17 N -3.24 3.29 0.98 -3.49 2.20 -1.26 -4.13 119.74 114.09 1afp s LYS 17 Ca -0.00 -0.38 -0.15 0.00 -0.36 0.00 0.00 55.97 55.08 1afp s LYS 17 Cb -0.01 -4.07 -0.02 0.00 -1.51 0.00 0.00 37.83 32.22 1afp s LYS 17 CO -0.09 -1.48 -0.07 0.00 -0.36 0.00 0.00 175.35 173.35 1afp n ALA 18 N 7.33 -3.74 0.28 3.13 0.00 -1.26 -4.74 120.51 121.51 1afp n ALA 18 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 53.44 52.84 1afp n ALA 18 Cb 0.47 -1.54 0.82 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.42 0.00 0.00 0.00 4.15 -1.95 -1.52 115.11 114.37 1afp h GLN 19 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1afp h GLN 19 Cb 1.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1afp h GLN 19 CO 0.31 0.00 0.00 -1.13 -1.93 0.00 0.00 178.83 176.08 1afp n SER 20 N -4.08 1.75 0.00 -0.69 3.41 -1.26 -4.96 113.62 107.79 1afp n SER 20 Ca -0.03 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1afp n SER 20 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.42 0.52 0.16 5.00 0.00 -0.57 -4.90 105.19 104.98 1afp n GLY 21 Ca 0.00 0.00 -0.06 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 1.33 -0.36 0.00 1.61 3.64 -1.93 -3.44 116.57 117.43 1afp h LYS 22 Ca 0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1afp h LYS 22 Cb 0.15 0.08 0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1afp h LYS 22 CO 0.00 -0.24 -0.03 -2.37 -2.27 0.00 0.00 179.45 174.54 1afp n THR 23 N -3.84 0.00 -1.14 1.00 5.66 -1.26 -4.93 114.28 109.77 1afp n THR 23 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1afp n THR 23 Cb 0.15 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 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 -2.58 0.00 -1.58 1.79 0.00 -1.26 -4.42 120.51 112.47 1afp n ALA 24 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.96 1afp n ALA 24 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 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 0.39 1.93 -3.50 0.00 5.41 -1.25 -4.34 119.36 118.00 1afp n ILE 25 Ca 0.00 -0.48 -0.16 0.00 1.00 0.00 0.00 62.75 63.11 1afp n ILE 25 Cb 0.00 -0.94 -0.12 0.00 -0.71 0.00 0.00 39.64 37.86 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 5.33 0.00 -2.98 0.00 4.81 -1.26 0.21 118.16 124.27 1afp n LYS 27 Ca -0.05 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.95 1afp n LYS 27 Cb 0.50 -0.83 -0.01 0.00 0.02 0.00 0.00 35.03 34.70 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp n TYR 29 N 5.82 0.00 0.00 0.00 9.36 -1.26 -4.71 117.16 126.37 1afp n TYR 29 Ca 0.29 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.51 1afp n TYR 29 Cb 0.46 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.17 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1afp n VAL 30 N -0.74 0.00 -2.00 2.97 0.31 -1.26 -5.04 118.33 112.56 1afp n VAL 30 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.02 1afp n VAL 30 Cb 0.05 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.95 1afp n VAL 30 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1afp s LYS 31 N 5.00 4.02 0.70 5.55 2.20 -1.26 -4.92 119.74 131.02 1afp s LYS 31 Ca 0.00 2.05 -0.17 0.00 -0.36 0.00 0.00 55.97 57.48 1afp s LYS 31 Cb 0.00 -4.03 -0.13 0.00 -1.51 0.00 0.00 37.83 32.16 1afp s LYS 31 CO 0.00 -1.04 -0.27 1.17 -0.36 0.00 0.00 175.35 174.85 1afp n LYS 32 N 7.38 0.04 -2.47 4.03 4.81 -1.26 -4.60 118.16 126.08 1afp n LYS 32 Ca 0.18 0.02 -0.40 0.00 -0.87 0.00 0.00 58.31 57.24 1afp n LYS 32 Cb 0.43 -1.11 -0.04 0.00 0.02 0.00 0.00 35.03 34.33 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 3.79 0.00 0.00 0.00 0.13 -1.88 -3.42 132.00 130.61 1afp h PRO 34 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1afp h PRO 34 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1afp h PRO 34 CO 0.67 0.71 0.00 2.89 -0.23 0.00 0.00 178.00 182.04 1afp n ARG 35 N -3.62 0.00 -1.14 0.86 1.85 -1.26 -4.97 116.66 108.38 1afp n ARG 35 Ca -0.01 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1afp n ARG 35 Cb 0.71 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.09 1afp n ARG 35 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1afp n ASP 36 N 0.00 -0.78 0.00 2.89 2.03 -1.25 -0.66 116.55 118.78 1afp n ASP 36 Ca 0.00 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.22 1afp n ASP 36 Cb 0.00 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 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 1.52 3.04 3.68 0.27 0.00 -0.76 -4.98 105.19 107.96 1afp n GLY 37 Ca 0.15 0.00 -0.66 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 -0.34 -1.03 -1.70 4.61 0.00 0.17 -4.38 120.51 117.84 1afp n ALA 38 Ca 0.00 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.53 1afp n ALA 38 Cb 0.00 -1.97 0.05 0.00 0.00 0.00 0.00 19.45 17.52 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 3.47 2.79 0.02 0.00 2.20 -1.26 0.12 119.74 127.08 1afp s LYS 39 Ca 1.06 1.86 -0.20 0.00 -0.36 0.00 0.00 55.97 58.34 1afp s LYS 39 Cb -1.45 -1.90 0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1afp s LYS 39 CO 0.78 -1.36 0.45 0.00 -0.36 0.00 0.00 175.35 174.86 1afp s GLU 41 N -2.02 2.61 -0.59 0.00 0.41 -1.25 -0.75 118.70 117.11 1afp s GLU 41 Ca -0.08 -0.73 -0.20 0.00 -0.41 0.00 0.00 54.97 53.55 1afp s GLU 41 Cb -0.02 -2.02 0.08 0.00 -1.78 0.00 0.00 34.13 30.40 1afp s GLU 41 CO 0.01 0.12 0.76 0.12 -0.49 0.00 0.00 175.26 175.78 1afp s PHE 42 N 0.47 2.93 0.16 1.61 5.36 -1.14 -2.68 117.98 124.68 1afp s PHE 42 Ca -0.17 -0.73 -0.31 0.00 -0.96 0.00 0.00 56.93 54.75 1afp s PHE 42 Cb -0.17 -3.97 -0.10 0.00 -0.34 0.00 0.00 43.02 38.44 1afp s PHE 42 CO 0.07 -1.32 1.57 0.34 -1.46 0.00 0.00 175.22 174.42 1afp s ASP 43 N 3.40 6.59 -0.23 6.13 2.15 -1.21 -2.41 116.67 131.09 1afp s ASP 43 Ca 0.15 2.60 0.11 0.00 0.43 0.00 0.00 52.55 55.84 1afp s ASP 43 Cb -0.21 -2.59 0.68 0.00 -0.30 0.00 0.00 42.92 40.50 1afp s ASP 43 CO 0.09 -0.82 1.59 -1.54 -0.17 0.00 0.00 175.17 174.31 1afp n SER 44 N 4.08 4.83 -0.05 -0.34 3.41 -1.26 -2.65 113.62 121.64 1afp n SER 44 Ca 0.14 -2.87 -0.01 0.00 -0.26 0.00 0.00 58.87 55.87 1afp n SER 44 Cb 0.39 -0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 63.53 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 0.33 0.00 0.03 7.33 4.01 -1.26 -4.82 117.16 122.78 1afp n TYR 45 Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 1afp n TYR 45 Cb 1.12 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 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 -2.38 0.00 0.00 -0.72 5.02 -1.25 -5.07 118.16 113.76 1afp n LYS 46 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1afp n LYS 46 Cb 0.78 -0.34 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 -0.52 0.00 0.00 177.40 177.29 1afp n GLY 47 N 2.63 1.74 3.90 0.72 0.00 -1.09 -5.12 105.19 107.97 1afp n GLY 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.19 2.54 -0.45 1.61 3.01 -1.26 -5.00 119.74 120.00 1afp s LYS 48 Ca 0.00 -1.53 -0.01 0.00 -1.01 0.00 0.00 55.97 53.42 1afp s LYS 48 Cb 0.00 -2.41 0.12 0.00 -1.01 0.00 0.00 37.83 34.53 1afp s LYS 48 CO 0.00 -0.25 0.23 0.00 0.51 0.00 0.00 175.35 175.84 1afp n TYR 50 N 4.12 1.29 0.00 0.00 4.02 -1.09 -4.36 117.16 121.14 1afp n TYR 50 Ca 0.02 -1.76 0.00 0.00 -0.01 0.00 0.00 57.90 56.15 1afp n TYR 50 Cb 0.40 -1.55 0.00 0.00 -0.02 0.00 0.00 39.34 38.17 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85