#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 5.01 -0.27 0.00 2.01 -1.26 -3.43 115.64 117.70 1afp s THR 2 Ca 0.00 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 1afp s THR 2 Cb 0.00 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.91 1afp s THR 2 CO 0.00 0.07 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.65 1afp s TYR 3 N -1.65 3.17 0.01 4.92 1.51 -0.47 -4.88 117.35 119.96 1afp s TYR 3 Ca 0.42 -1.75 -0.19 0.00 -1.01 0.00 0.00 57.07 54.53 1afp s TYR 3 Cb -0.12 -2.07 -0.06 0.00 -0.11 0.00 0.00 41.96 39.60 1afp s TYR 3 CO 0.21 -0.77 0.56 -0.80 -1.11 0.00 0.00 175.55 173.63 1afp s ASN 4 N 1.28 6.96 0.00 2.29 0.02 -1.26 -0.71 114.94 123.51 1afp s ASN 4 Ca -0.03 1.14 0.00 0.00 -1.02 0.00 0.00 52.86 52.95 1afp s ASN 4 Cb -0.18 -2.34 0.00 0.00 0.02 0.00 0.00 41.25 38.74 1afp s ASN 4 CO -0.03 0.17 0.00 0.61 0.02 0.00 0.00 177.10 177.87 1afp n GLY 5 N 2.24 3.05 3.12 0.66 0.00 0.26 -4.06 105.19 110.46 1afp n GLY 5 Ca -0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 4.55 0.76 0.34 1.61 1.02 0.25 -2.46 119.74 125.81 1afp s LYS 6 Ca 0.00 -1.32 0.03 0.00 0.02 0.00 0.00 55.97 54.70 1afp s LYS 6 Cb 0.00 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.43 1afp s LYS 6 CO 0.00 -0.16 0.08 0.00 -0.92 0.00 0.00 175.35 174.35 1afp s TYR 8 N -3.30 0.34 0.00 0.00 1.51 -0.95 -0.95 117.35 114.00 1afp s TYR 8 Ca 0.33 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 56.33 1afp s TYR 8 Cb 0.07 -0.23 0.00 0.00 -0.11 0.00 0.00 41.96 41.69 1afp s TYR 8 CO 0.15 -0.01 0.84 1.63 -1.11 0.00 0.00 175.55 177.05 1afp n LYS 9 N 3.06 0.00 0.00 -0.62 5.02 -1.26 0.21 118.16 124.57 1afp n LYS 9 Ca -0.14 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1afp n LYS 9 Cb 0.58 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.63 0.00 0.21 1.97 3.00 -1.26 0.22 118.16 120.67 1afp n LYS 10 Ca 0.00 0.87 0.18 0.00 -0.00 0.00 0.00 58.31 59.36 1afp n LYS 10 Cb 0.00 -1.36 0.82 0.00 0.00 0.00 0.00 35.03 34.48 1afp n LYS 10 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1afp h ASP 11 N 0.00 0.00 -6.83 3.14 5.19 -2.00 -3.45 116.42 112.46 1afp h ASP 11 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 1afp h ASP 11 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1afp h ASP 11 CO 0.00 0.00 -1.00 -3.20 -3.12 0.00 0.00 179.24 171.92 1afp n ASN 12 N -3.45 -4.34 -2.32 6.45 2.85 0.60 -4.87 115.26 110.18 1afp n ASN 12 Ca 0.02 -1.26 -0.11 0.00 -0.11 0.00 0.00 54.58 53.12 1afp n ASN 12 Cb 0.44 -1.92 -0.04 0.00 1.24 0.00 0.00 39.78 39.49 1afp n ASN 12 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1afp n ILE 13 N -4.93 0.00 -3.79 -1.44 -6.64 -0.97 -2.15 119.36 99.45 1afp n ILE 13 Ca -0.11 -1.37 -0.27 0.00 -1.77 0.00 0.00 62.75 59.23 1afp n ILE 13 Cb 0.57 0.72 -0.17 0.00 -1.44 0.00 0.00 39.64 39.32 1afp n ILE 13 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1afp s LYS 15 N 1.79 3.02 0.21 0.00 1.02 0.39 0.14 119.74 126.30 1afp s LYS 15 Ca -0.00 -0.41 0.04 0.00 0.02 0.00 0.00 55.97 55.62 1afp s LYS 15 Cb -0.16 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 1afp s LYS 15 CO -0.07 0.68 0.19 2.48 -0.92 0.00 0.00 175.35 177.71 1afp n TYR 16 N 2.20 -0.55 -0.35 3.18 4.11 -0.98 0.84 117.16 125.62 1afp n TYR 16 Ca -0.19 -1.70 -0.14 0.00 -0.00 0.00 0.00 57.90 55.87 1afp n TYR 16 Cb 0.54 0.20 0.11 0.00 -0.00 0.00 0.00 39.34 40.18 1afp n TYR 16 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1afp n LYS 17 N -0.39 1.76 0.00 -3.48 4.76 -1.26 -3.52 118.16 116.04 1afp n LYS 17 Ca 0.04 -1.82 0.00 0.00 -2.87 0.00 0.00 58.31 53.66 1afp n LYS 17 Cb 0.37 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1afp n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp n ALA 18 N -0.49 0.00 -0.27 7.82 0.00 -1.26 -2.67 120.51 123.63 1afp n ALA 18 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1afp n ALA 18 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.66 1afp n ALA 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1afp n GLN 19 N 12.09 -0.61 -0.43 0.00 6.02 -1.26 -4.70 117.38 128.49 1afp n GLN 19 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 1afp n GLN 19 Cb 0.00 -0.86 0.00 0.00 1.02 0.00 0.00 30.24 30.40 1afp n GLN 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1afp n SER 20 N -0.01 0.00 0.00 1.08 7.64 -1.25 -4.97 113.62 116.10 1afp n SER 20 Ca 0.00 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.32 1afp n SER 20 Cb 0.08 -0.11 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 0.00 3.04 0.51 0.23 0.00 -1.09 -4.83 105.19 103.05 1afp n GLY 21 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 1.73 0.00 -4.88 1.61 1.57 -1.93 -3.44 116.57 111.22 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 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1afp h LYS 22 CO 0.00 0.00 -0.69 2.41 -0.57 0.00 0.00 179.45 180.60 1afp n THR 23 N -3.57 -7.45 -4.15 -0.16 -1.04 -1.26 -4.90 114.28 91.76 1afp n THR 23 Ca 0.21 1.66 -0.22 0.00 -2.04 0.00 0.00 64.05 63.65 1afp n THR 23 Cb 1.27 -4.32 -0.06 0.00 -1.82 0.00 0.00 70.33 65.41 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 -0.34 3.45 -0.06 2.41 0.00 -1.23 -4.82 121.76 121.16 1afp s ALA 24 Ca -0.07 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.34 1afp s ALA 24 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 1afp s ALA 24 CO 0.18 0.21 -0.12 0.42 0.00 0.00 0.00 175.76 176.45 1afp s ILE 25 N -2.25 3.27 -0.34 0.00 1.09 -1.26 -2.31 121.20 119.40 1afp s ILE 25 Ca 0.34 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 59.26 1afp s ILE 25 Cb -0.06 -2.30 0.10 0.00 -1.06 0.00 0.00 42.46 39.13 1afp s ILE 25 CO 0.23 0.59 0.10 0.00 -0.10 0.00 0.00 174.94 175.76 1afp n LYS 27 N 4.48 0.00 -3.23 0.00 4.01 -1.26 -0.83 118.16 121.32 1afp n LYS 27 Ca 0.01 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.42 1afp n LYS 27 Cb 0.41 -0.96 -0.06 0.00 -0.51 0.00 0.00 35.03 33.91 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 1.46 2.87 0.00 0.00 -0.85 -1.26 -4.68 117.35 114.88 1afp s TYR 29 Ca 0.25 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.58 1afp s TYR 29 Cb -0.15 -1.76 0.00 0.00 0.38 0.00 0.00 41.96 40.42 1afp s TYR 29 CO 0.10 0.11 0.00 0.28 -1.52 0.00 0.00 175.55 174.52 1afp n VAL 30 N 2.76 0.00 -0.75 -3.49 0.31 -1.26 -4.31 118.33 111.59 1afp n VAL 30 Ca -0.18 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.91 1afp n VAL 30 Cb 0.53 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 1.78 -0.93 5.55 4.81 -1.26 -4.90 118.16 123.21 1afp n LYS 31 Ca 0.00 -1.45 -0.36 0.00 -0.87 0.00 0.00 58.31 55.63 1afp n LYS 31 Cb 0.00 -2.51 0.07 0.00 0.02 0.00 0.00 35.03 32.61 1afp n LYS 31 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1afp n LYS 32 N 4.86 -0.26 -2.16 1.64 2.85 -1.26 -4.40 118.16 119.42 1afp n LYS 32 Ca 0.42 -0.07 -0.41 0.00 -1.05 0.00 0.00 58.31 57.20 1afp n LYS 32 Cb 0.18 -1.21 -0.03 0.00 -0.65 0.00 0.00 35.03 33.31 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1afp h PRO 34 N 4.81 0.29 0.00 0.00 0.13 -1.90 -3.39 132.00 131.94 1afp h PRO 34 Ca -0.46 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1afp h PRO 34 Cb 1.22 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1afp h PRO 34 CO 0.74 0.97 0.00 2.89 -0.23 0.00 0.00 178.00 182.37 1afp n ARG 35 N -3.74 0.00 -1.49 0.86 1.85 -1.26 -4.86 116.66 108.01 1afp n ARG 35 Ca -0.04 0.00 -0.54 0.00 -1.00 0.00 0.00 57.85 56.26 1afp n ARG 35 Cb 0.77 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.12 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 0.01 0.00 2.89 2.03 -1.25 0.25 116.55 120.48 1afp n ASP 36 Ca 0.00 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1afp n ASP 36 Cb 0.00 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 1.77 3.01 3.61 0.27 0.00 -0.12 -4.98 105.19 108.75 1afp n GLY 37 Ca 0.19 0.00 -0.64 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 -0.16 -2.01 -1.79 4.61 0.00 0.14 -4.30 120.51 117.00 1afp n ALA 38 Ca 0.00 0.52 -0.35 0.00 0.00 0.00 0.00 53.44 53.61 1afp n ALA 38 Cb 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 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 2.07 3.74 0.17 0.00 2.36 -1.26 0.18 119.74 127.01 1afp s LYS 39 Ca 0.99 1.49 -0.23 0.00 -2.55 0.00 0.00 55.97 55.67 1afp s LYS 39 Cb -1.41 -2.17 0.06 0.00 -1.05 0.00 0.00 37.83 33.26 1afp s LYS 39 CO 0.73 -0.50 0.65 0.00 1.55 0.00 0.00 175.35 177.78 1afp s GLU 41 N -3.73 1.21 -0.27 0.00 1.03 -1.15 -0.57 118.70 115.21 1afp s GLU 41 Ca 0.03 -0.34 -0.12 0.00 0.03 0.00 0.00 54.97 54.57 1afp s GLU 41 Cb -0.02 -1.09 -0.05 0.00 -0.80 0.00 0.00 34.13 32.18 1afp s GLU 41 CO -0.09 0.09 0.23 0.12 -1.33 0.00 0.00 175.26 174.28 1afp s PHE 42 N 0.36 3.23 -0.32 4.83 5.36 0.11 -2.20 117.98 129.35 1afp s PHE 42 Ca -0.07 0.19 -0.24 0.00 -0.96 0.00 0.00 56.93 55.86 1afp s PHE 42 Cb -0.11 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.16 1afp s PHE 42 CO 0.01 -0.16 0.81 -0.51 -1.46 0.00 0.00 175.22 173.92 1afp s ASP 43 N 1.68 6.66 0.00 6.13 1.11 -1.25 -1.37 116.67 129.63 1afp s ASP 43 Ca 0.09 0.62 0.19 0.00 0.18 0.00 0.00 52.55 53.62 1afp s ASP 43 Cb -0.16 -2.42 1.10 0.00 1.07 0.00 0.00 42.92 42.52 1afp s ASP 43 CO 0.10 -0.67 1.71 -1.20 1.18 0.00 0.00 175.17 176.29 1afp n SER 44 N 6.33 0.03 0.04 0.27 7.64 -1.22 -0.96 113.62 125.75 1afp n SER 44 Ca 0.04 -1.42 -0.20 0.00 1.01 0.00 0.00 58.87 58.29 1afp n SER 44 Cb 0.48 -0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.53 1afp n SER 44 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1afp h TYR 45 N 0.04 0.53 0.00 1.43 0.05 -1.90 -3.42 116.97 113.69 1afp h TYR 45 Ca 0.00 -0.39 -0.15 0.00 0.05 0.00 0.00 58.73 58.25 1afp h TYR 45 Cb 0.01 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1afp h TYR 45 CO 0.00 1.38 -1.50 1.63 -1.05 0.00 0.00 178.16 178.61 1afp n LYS 46 N -4.07 0.20 0.00 4.88 5.02 -1.22 -5.04 118.16 117.92 1afp n LYS 46 Ca -0.17 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1afp n LYS 46 Cb 0.85 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 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 2.56 1.69 0.03 0.72 0.00 -0.13 -5.10 105.19 104.95 1afp n GLY 47 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.51 -0.43 -3.42 1.61 5.02 -1.25 -4.92 118.16 114.26 1afp n LYS 48 Ca 0.00 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 1afp n LYS 48 Cb 0.00 -0.01 -0.10 0.00 -0.02 0.00 0.00 35.03 34.90 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 4.42 2.68 1.77 0.00 4.02 -0.94 -4.60 117.16 124.51 1afp n TYR 50 Ca 0.08 -1.63 0.15 0.00 -0.01 0.00 0.00 57.90 56.48 1afp n TYR 50 Cb 0.42 -2.43 0.76 0.00 -0.02 0.00 0.00 39.34 38.06 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85