#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 2.44 0.00 0.00 2.01 -1.26 -4.45 115.64 114.38 1afp s THR 2 Ca 0.00 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1afp s THR 2 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.28 1afp s THR 2 CO 0.00 0.05 0.00 -1.22 -0.69 0.00 0.00 174.62 172.76 1afp n TYR 3 N -0.05 -1.17 -3.68 4.92 4.01 -1.07 -4.84 117.16 115.29 1afp n TYR 3 Ca 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.65 1afp n TYR 3 Cb 0.43 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.00 -0.57 0.00 7.72 0.01 -1.26 -3.50 114.94 116.34 1afp s ASN 4 Ca 0.00 1.04 0.00 0.00 -0.71 0.00 0.00 52.86 53.19 1afp s ASN 4 Cb 0.00 1.06 0.00 0.00 0.41 0.00 0.00 41.25 42.72 1afp s ASN 4 CO 0.00 -0.24 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 1afp n GLY 5 N 2.56 2.44 3.21 0.66 0.00 0.81 -4.31 105.19 110.56 1afp n GLY 5 Ca -0.14 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 4.51 0.84 0.07 1.61 1.02 0.10 -2.76 119.74 125.13 1afp s LYS 6 Ca 0.00 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.06 1afp s LYS 6 Cb 0.00 0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.62 1afp s LYS 6 CO 0.00 -0.27 -0.09 0.00 -0.92 0.00 0.00 175.35 174.08 1afp s TYR 8 N -2.11 2.73 -0.06 0.00 2.02 0.18 -1.70 117.35 118.41 1afp s TYR 8 Ca -0.01 -0.47 -0.25 0.00 -0.37 0.00 0.00 57.07 55.97 1afp s TYR 8 Cb -0.05 -1.73 -0.23 0.00 -0.40 0.00 0.00 41.96 39.55 1afp s TYR 8 CO -0.01 -0.06 1.03 1.57 -1.57 0.00 0.00 175.55 176.51 1afp h LYS 9 N 6.11 0.12 -0.42 -0.62 5.09 -1.82 1.78 116.57 126.81 1afp h LYS 9 Ca -0.34 -0.12 0.07 0.00 0.09 0.00 0.00 60.65 60.34 1afp h LYS 9 Cb 1.19 0.03 -0.06 0.00 0.10 0.00 0.00 32.23 33.49 1afp h LYS 9 CO 0.52 0.86 0.08 -0.22 -2.09 0.00 0.00 179.45 178.61 1afp h LYS 10 N -0.57 0.21 -0.01 0.07 3.64 -1.95 0.56 116.57 118.53 1afp h LYS 10 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1afp h LYS 10 Cb 0.91 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1afp h LYS 10 CO 0.03 0.14 -0.30 -0.25 -2.27 0.00 0.00 179.45 176.80 1afp n ASP 11 N -5.10 0.87 -4.04 4.20 10.43 -1.24 -4.96 116.55 116.72 1afp n ASP 11 Ca 0.03 -0.72 -0.42 0.00 2.57 0.00 0.00 54.79 56.25 1afp n ASP 11 Cb 0.19 0.14 0.02 0.00 1.84 0.00 0.00 41.12 43.31 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 -0.86 -3.89 -4.08 -2.24 4.05 0.58 -4.83 115.26 104.00 1afp n ASN 12 Ca 0.11 -1.20 -0.10 0.00 0.45 0.00 0.00 54.58 53.84 1afp n ASN 12 Cb 0.34 -1.48 -0.09 0.00 1.23 0.00 0.00 39.78 39.79 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 -3.55 0.09 -0.24 -1.44 -5.25 0.15 -1.08 121.20 109.88 1afp s ILE 13 Ca 0.42 -1.71 0.02 0.00 -0.99 0.00 0.00 60.65 58.38 1afp s ILE 13 Cb -0.23 -1.97 0.06 0.00 2.95 0.00 0.00 42.46 43.27 1afp s ILE 13 CO 0.91 -0.40 -0.08 0.00 -1.79 0.00 0.00 174.94 173.57 1afp s LYS 15 N 1.29 3.49 0.02 0.00 1.02 0.41 0.18 119.74 126.15 1afp s LYS 15 Ca -0.06 -0.34 -0.28 0.00 0.02 0.00 0.00 55.97 55.31 1afp s LYS 15 Cb -0.19 -3.03 0.09 0.00 -0.52 0.00 0.00 37.83 34.19 1afp s LYS 15 CO -0.06 0.52 0.79 1.52 -0.92 0.00 0.00 175.35 177.20 1afp s TYR 16 N -0.35 -0.45 -0.48 3.18 1.13 -1.26 0.02 117.35 119.14 1afp s TYR 16 Ca 0.08 0.44 -0.25 0.00 -1.41 0.00 0.00 57.07 55.93 1afp s TYR 16 Cb -0.12 0.51 0.03 0.00 -1.10 0.00 0.00 41.96 41.28 1afp s TYR 16 CO 0.02 -0.62 0.90 0.15 -2.51 0.00 0.00 175.55 173.49 1afp s LYS 17 N -2.76 3.47 0.96 -3.49 -0.14 -1.26 -4.14 119.74 112.38 1afp s LYS 17 Ca 0.01 0.03 -0.13 0.00 -1.36 0.00 0.00 55.97 54.52 1afp s LYS 17 Cb -0.01 -3.95 0.04 0.00 -1.68 0.00 0.00 37.83 32.23 1afp s LYS 17 CO -0.06 -1.25 0.38 0.00 -0.76 0.00 0.00 175.35 173.66 1afp n ALA 18 N 7.13 -2.69 0.33 5.17 0.00 -1.26 -4.73 120.51 124.47 1afp n ALA 18 Ca 0.05 -0.63 0.20 0.00 0.00 0.00 0.00 53.44 53.05 1afp n ALA 18 Cb 0.48 -1.78 1.04 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 -1.58 0.00 0.00 0.00 -0.00 -1.95 -0.17 115.11 111.42 1afp h GLN 19 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1afp h GLN 19 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.76 1afp h GLN 19 CO 0.34 0.00 -0.13 -1.13 0.00 0.00 0.00 178.83 177.91 1afp n SER 20 N -3.02 0.93 0.00 -0.69 3.41 -1.26 -4.96 113.62 108.02 1afp n SER 20 Ca -0.02 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1afp n SER 20 Cb 0.21 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.40 0.43 0.11 5.00 0.00 -0.08 -4.88 105.19 105.38 1afp n GLY 21 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 1.18 -0.25 0.00 1.61 3.11 -1.93 -3.43 116.57 116.86 1afp h LYS 22 Ca 0.00 0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.79 1afp h LYS 22 Cb 0.19 0.06 0.04 0.00 -1.00 0.00 0.00 32.23 31.52 1afp h LYS 22 CO 0.00 -0.17 -0.03 -2.37 -2.81 0.00 0.00 179.45 174.07 1afp n THR 23 N -3.06 0.00 -2.33 1.00 5.66 -1.26 -4.91 114.28 109.38 1afp n THR 23 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1afp n THR 23 Cb 0.10 -0.17 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 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 -1.45 1.79 0.00 -1.26 -4.38 120.51 112.62 1afp n ALA 24 Ca -0.03 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.95 1afp n ALA 24 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 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 1.84 -3.45 0.00 -0.00 -1.26 -4.38 119.36 112.12 1afp n ILE 25 Ca 0.00 -0.50 -0.16 0.00 -0.00 0.00 0.00 62.75 62.09 1afp n ILE 25 Cb 0.00 -0.35 -0.11 0.00 -0.00 0.00 0.00 39.64 39.17 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 -2.16 0.00 0.00 -1.26 0.11 118.16 120.18 1afp n LYS 27 Ca -0.05 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.87 1afp n LYS 27 Cb 0.49 -0.70 -0.02 0.00 -0.00 0.00 0.00 35.03 34.80 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1afp s TYR 29 N 5.80 1.44 0.16 0.00 5.04 -1.26 -4.26 117.35 124.27 1afp s TYR 29 Ca 0.57 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1afp s TYR 29 Cb 0.06 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1afp s TYR 29 CO 0.07 -4.26 0.00 1.33 -1.34 0.00 0.00 175.55 171.35 1afp n VAL 30 N 6.72 -1.28 -3.61 3.14 0.24 -1.26 -4.76 118.33 117.52 1afp n VAL 30 Ca 0.24 0.51 -0.31 0.00 -2.04 0.00 0.00 64.34 62.73 1afp n VAL 30 Cb 0.44 -0.78 0.02 0.00 -1.47 0.00 0.00 33.84 32.05 1afp n VAL 30 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1afp n LYS 31 N -1.55 -1.68 -0.99 7.34 4.81 -1.26 -4.77 118.16 120.06 1afp n LYS 31 Ca 0.00 1.03 -0.36 0.00 -0.87 0.00 0.00 58.31 58.11 1afp n LYS 31 Cb 0.09 -2.04 0.04 0.00 0.02 0.00 0.00 35.03 33.15 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 -1.44 -0.02 -1.69 1.64 4.81 -1.26 -4.77 118.16 115.43 1afp n LYS 32 Ca -0.21 -0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.83 1afp n LYS 32 Cb 0.67 -1.05 0.02 0.00 0.02 0.00 0.00 35.03 34.70 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 1.68 0.37 -1.63 0.00 0.13 -1.86 -3.36 132.00 127.33 1afp h PRO 34 Ca -0.48 -0.36 0.06 0.00 -0.87 0.00 0.00 66.00 64.35 1afp h PRO 34 Cb 1.31 0.09 -0.26 0.00 0.13 0.00 0.00 31.00 32.28 1afp h PRO 34 CO 0.58 1.03 0.41 -0.98 -0.23 0.00 0.00 178.00 178.80 1afp s ARG 35 N -3.34 0.51 0.04 0.86 1.70 -1.26 -4.80 118.95 112.65 1afp s ARG 35 Ca -0.14 0.66 -0.33 0.00 -0.47 0.00 0.00 55.73 55.45 1afp s ARG 35 Cb 0.03 0.22 -0.17 0.00 -0.57 0.00 0.00 34.95 34.46 1afp s ARG 35 CO 0.80 -0.07 0.83 -3.47 -1.08 0.00 0.00 175.30 172.31 1afp n ASP 36 N 2.60 -0.23 0.00 -2.89 -0.08 -1.25 0.58 116.55 115.28 1afp n ASP 36 Ca -0.14 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 1afp n ASP 36 Cb 0.56 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 43.22 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 1.39 3.41 3.65 0.27 0.00 -0.69 -4.98 105.19 108.24 1afp n GLY 37 Ca 0.17 0.00 -0.61 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 -1.74 -0.46 -1.75 4.61 0.00 0.20 -4.37 120.51 116.99 1afp n ALA 38 Ca 0.00 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 1afp n ALA 38 Cb 0.00 -2.12 0.03 0.00 0.00 0.00 0.00 19.45 17.36 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 3.86 3.19 0.02 0.00 2.36 -1.26 0.10 119.74 128.02 1afp s LYS 39 Ca 1.04 2.10 -0.25 0.00 -2.55 0.00 0.00 55.97 56.32 1afp s LYS 39 Cb -1.26 -2.22 0.06 0.00 -1.05 0.00 0.00 37.83 33.35 1afp s LYS 39 CO 0.70 -1.11 0.57 0.00 1.55 0.00 0.00 175.35 177.06 1afp s GLU 41 N -2.05 1.75 -0.49 0.00 2.02 -0.68 -0.13 118.70 119.11 1afp s GLU 41 Ca -0.07 -1.24 -0.09 0.00 0.02 0.00 0.00 54.97 53.58 1afp s GLU 41 Cb -0.01 -2.07 0.12 0.00 0.10 0.00 0.00 34.13 32.28 1afp s GLU 41 CO 0.02 0.46 0.37 0.12 0.02 0.00 0.00 175.26 176.25 1afp s PHE 42 N -1.25 3.43 0.05 1.61 5.36 -1.23 -1.25 117.98 124.70 1afp s PHE 42 Ca 0.19 -1.88 -0.30 0.00 -0.96 0.00 0.00 56.93 53.97 1afp s PHE 42 Cb -0.10 -3.52 -0.09 0.00 -0.34 0.00 0.00 43.02 38.98 1afp s PHE 42 CO 0.10 -0.99 1.82 -0.51 -1.46 0.00 0.00 175.22 174.18 1afp s ASP 43 N 2.64 6.51 -0.18 6.13 1.11 -1.26 -2.60 116.67 129.02 1afp s ASP 43 Ca 0.06 2.59 0.05 0.00 0.18 0.00 0.00 52.55 55.43 1afp s ASP 43 Cb -0.26 -2.55 0.41 0.00 1.07 0.00 0.00 42.92 41.60 1afp s ASP 43 CO -0.01 -0.99 1.33 -1.54 1.18 0.00 0.00 175.17 175.14 1afp n SER 44 N 6.63 3.51 -0.02 0.27 3.41 -1.26 -1.99 113.62 124.16 1afp n SER 44 Ca 0.18 -2.68 0.01 0.00 -0.26 0.00 0.00 58.87 56.12 1afp n SER 44 Cb 0.40 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 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 -0.01 0.00 0.02 7.33 4.01 -1.26 -4.87 117.16 122.38 1afp n TYR 45 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1afp n TYR 45 Cb 0.94 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 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 -2.03 0.00 0.00 -0.72 5.02 -1.24 -5.06 118.16 114.14 1afp n LYS 46 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1afp n LYS 46 Cb 0.46 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 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 2.14 1.85 0.00 0.72 0.00 -0.84 -5.10 105.19 103.96 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 1.17 0.00 0.00 0.00 173.32 174.49 1afp n LYS 48 N -0.46 2.82 -2.77 1.61 3.00 -1.26 -4.95 118.16 116.16 1afp n LYS 48 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1afp n LYS 48 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.07 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1afp n TYR 50 N 1.76 0.58 -0.51 0.00 4.02 -0.38 -4.72 117.16 117.91 1afp n TYR 50 Ca 0.10 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 1afp n TYR 50 Cb 0.62 -1.80 0.00 0.00 -0.02 0.00 0.00 39.34 38.14 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85