#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 3.11 0.00 0.00 2.01 -1.26 -4.47 115.64 115.02 1afp s THR 2 Ca 0.00 0.94 0.00 0.00 0.31 0.00 0.00 61.69 62.94 1afp s THR 2 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1afp s THR 2 CO 0.00 0.09 0.00 -1.22 -0.69 0.00 0.00 174.62 172.80 1afp n TYR 3 N 0.09 -1.79 -4.08 4.92 4.01 -0.86 -4.88 117.16 114.58 1afp n TYR 3 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 1afp n TYR 3 Cb 0.46 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.92 0.51 0.00 7.72 0.02 -1.26 -3.32 114.94 117.68 1afp s ASN 4 Ca 0.00 -0.92 0.00 0.00 -1.02 0.00 0.00 52.86 50.92 1afp s ASN 4 Cb 0.00 0.17 0.00 0.00 0.02 0.00 0.00 41.25 41.44 1afp s ASN 4 CO 0.00 -0.54 0.00 0.61 0.02 0.00 0.00 177.10 177.19 1afp n GLY 5 N 0.34 -0.55 3.34 0.66 0.00 0.11 -4.15 105.19 104.93 1afp n GLY 5 Ca -0.15 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.74 1.37 0.26 1.61 3.01 0.41 -0.16 119.74 125.50 1afp s LYS 6 Ca 0.00 -1.71 0.01 0.00 -1.01 0.00 0.00 55.97 53.27 1afp s LYS 6 Cb 0.00 -0.59 -0.04 0.00 -1.01 0.00 0.00 37.83 36.19 1afp s LYS 6 CO 0.00 -0.13 0.13 0.00 0.51 0.00 0.00 175.35 175.86 1afp s TYR 8 N -3.80 0.20 -0.12 0.00 1.51 -0.05 -0.32 117.35 114.77 1afp s TYR 8 Ca 0.38 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.95 1afp s TYR 8 Cb 0.06 -0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 1afp s TYR 8 CO 0.15 -0.15 -0.02 1.57 -1.11 0.00 0.00 175.55 175.98 1afp h LYS 9 N 4.94 0.00 -1.28 -0.62 2.10 -1.85 1.58 116.57 121.44 1afp h LYS 9 Ca -0.30 0.00 0.37 0.00 -2.00 0.00 0.00 60.65 58.72 1afp h LYS 9 Cb 1.21 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.49 1afp h LYS 9 CO 0.43 0.11 1.09 -0.22 -2.00 0.00 0.00 179.45 178.86 1afp h LYS 10 N -1.00 0.00 0.00 0.07 1.63 -1.98 1.26 116.57 116.55 1afp h LYS 10 Ca -0.02 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 1afp h LYS 10 Cb 0.34 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1afp h LYS 10 CO -0.01 0.00 -1.68 -3.47 -3.45 0.00 0.00 179.45 170.84 1afp n ASP 11 N -3.75 2.07 -3.70 4.20 -0.08 -1.25 -5.02 116.55 109.02 1afp n ASP 11 Ca 0.28 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.34 1afp n ASP 11 Cb 1.49 1.26 0.03 0.00 2.34 0.00 0.00 41.12 46.24 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1afp n ASN 12 N -2.15 -1.84 -3.69 1.67 4.05 0.53 -4.85 115.26 108.98 1afp n ASN 12 Ca -0.09 -0.86 -0.19 0.00 0.45 0.00 0.00 54.58 53.89 1afp n ASN 12 Cb 0.56 -3.92 -0.09 0.00 1.23 0.00 0.00 39.78 37.57 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 -3.67 0.12 -0.07 -1.44 -5.25 -0.41 -0.33 121.20 110.15 1afp s ILE 13 Ca 0.08 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.74 1afp s ILE 13 Cb -0.02 -2.48 0.02 0.00 2.95 0.00 0.00 42.46 42.92 1afp s ILE 13 CO 0.82 0.00 -0.05 0.00 -1.79 0.00 0.00 174.94 173.92 1afp s LYS 15 N 1.39 2.53 -0.11 0.00 1.02 0.37 0.20 119.74 125.15 1afp s LYS 15 Ca -0.03 -0.70 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 1afp s LYS 15 Cb -0.13 -2.46 0.12 0.00 -0.52 0.00 0.00 37.83 34.84 1afp s LYS 15 CO -0.03 0.62 0.98 1.52 -0.92 0.00 0.00 175.35 177.51 1afp s TYR 16 N -0.88 -0.34 -0.44 3.18 1.13 -1.26 -0.44 117.35 118.30 1afp s TYR 16 Ca 0.14 0.43 -0.25 0.00 -1.41 0.00 0.00 57.07 55.98 1afp s TYR 16 Cb -0.11 0.49 0.02 0.00 -1.10 0.00 0.00 41.96 41.26 1afp s TYR 16 CO 0.04 -0.40 0.90 0.21 -2.51 0.00 0.00 175.55 173.79 1afp s LYS 17 N -1.94 3.58 0.96 -3.49 2.20 -1.26 -4.11 119.74 115.67 1afp s LYS 17 Ca 0.02 0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.69 1afp s LYS 17 Cb -0.01 -3.90 0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1afp s LYS 17 CO -0.03 -1.14 0.41 0.00 -0.36 0.00 0.00 175.35 174.23 1afp n ALA 18 N 7.00 -2.64 -0.20 3.13 0.00 -1.26 -4.78 120.51 121.76 1afp n ALA 18 Ca 0.06 -0.64 0.06 0.00 0.00 0.00 0.00 53.44 52.91 1afp n ALA 18 Cb 0.48 -1.79 0.34 0.00 0.00 0.00 0.00 19.45 18.48 1afp n ALA 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1afp h GLN 19 N -1.60 0.77 -0.25 0.00 3.07 -1.96 -1.28 115.11 113.86 1afp h GLN 19 Ca -0.44 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1afp h GLN 19 Cb 1.29 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1afp h GLN 19 CO 0.35 0.51 0.00 -1.13 0.09 0.00 0.00 178.83 178.65 1afp n SER 20 N -4.48 2.62 -0.09 0.06 3.41 -1.26 -4.94 113.62 108.94 1afp n SER 20 Ca 0.11 -1.84 -0.01 0.00 -0.26 0.00 0.00 58.87 56.87 1afp n SER 20 Cb 0.22 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.54 0.48 0.07 5.00 0.00 -0.48 -4.92 105.19 105.88 1afp n GLY 21 Ca 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.58 -0.10 0.00 1.61 3.64 -1.92 -3.44 116.57 116.94 1afp h LYS 22 Ca -0.02 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1afp h LYS 22 Cb 0.22 0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1afp h LYS 22 CO 0.03 -0.07 -0.02 -2.37 -2.27 0.00 0.00 179.45 174.75 1afp n THR 23 N -4.01 0.00 -0.32 1.00 5.66 -1.26 -4.92 114.28 110.43 1afp n THR 23 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1afp n THR 23 Cb 0.04 -0.14 0.00 0.00 -1.55 0.00 0.00 70.33 68.68 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 -2.44 0.00 -1.66 1.79 0.00 -1.26 -4.39 120.51 112.56 1afp n ALA 24 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1afp n ALA 24 Cb 0.08 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.57 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 3.19 -3.39 0.00 2.08 -1.26 -4.10 119.36 115.89 1afp n ILE 25 Ca 0.00 -0.50 -0.12 0.00 0.56 0.00 0.00 62.75 62.69 1afp n ILE 25 Cb 0.00 -1.33 -0.09 0.00 -0.75 0.00 0.00 39.64 37.46 1afp n ILE 25 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1afp n LYS 27 N 5.35 0.00 -3.46 0.00 4.81 -1.26 0.81 118.16 124.41 1afp n LYS 27 Ca -0.04 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.98 1afp n LYS 27 Cb 0.50 -0.85 -0.10 0.00 0.02 0.00 0.00 35.03 34.60 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp s TYR 29 N 1.73 3.36 0.19 0.00 5.04 -1.26 -4.78 117.35 121.62 1afp s TYR 29 Ca 0.06 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1afp s TYR 29 Cb -0.19 -2.55 0.00 0.00 0.35 0.00 0.00 41.96 39.57 1afp s TYR 29 CO 0.10 -0.05 0.00 1.33 -1.34 0.00 0.00 175.55 175.59 1afp n VAL 30 N 4.48 -1.45 -3.44 3.14 0.24 -1.26 -4.81 118.33 115.23 1afp n VAL 30 Ca -0.08 0.59 -0.33 0.00 -2.04 0.00 0.00 64.34 62.48 1afp n VAL 30 Cb 0.51 -0.90 0.03 0.00 -1.47 0.00 0.00 33.84 32.01 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 -1.56 -1.65 -0.94 7.34 3.00 -1.26 -4.79 118.16 118.30 1afp n LYS 31 Ca 0.00 1.30 -0.36 0.00 -0.00 0.00 0.00 58.31 59.25 1afp n LYS 31 Cb 0.10 -1.81 0.06 0.00 0.00 0.00 0.00 35.03 33.39 1afp n LYS 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1afp n LYS 32 N 0.05 -0.21 -1.69 1.64 4.01 -1.26 -4.79 118.16 115.91 1afp n LYS 32 Ca -0.07 -0.05 -0.39 0.00 -0.51 0.00 0.00 58.31 57.28 1afp n LYS 32 Cb 0.65 -1.19 0.03 0.00 -0.51 0.00 0.00 35.03 34.01 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp h PRO 34 N 1.51 0.55 -1.31 0.00 0.13 -1.87 -3.40 132.00 127.62 1afp h PRO 34 Ca -0.49 -0.54 0.13 0.00 -0.87 0.00 0.00 66.00 64.24 1afp h PRO 34 Cb 1.31 0.14 -0.30 0.00 0.13 0.00 0.00 31.00 32.28 1afp h PRO 34 CO 0.57 1.16 0.67 -0.98 -0.23 0.00 0.00 178.00 179.20 1afp s ARG 35 N -3.41 0.26 0.05 0.86 1.70 -1.26 -4.91 118.95 112.23 1afp s ARG 35 Ca -0.12 0.32 -0.33 0.00 -0.47 0.00 0.00 55.73 55.13 1afp s ARG 35 Cb 0.05 0.12 -0.17 0.00 -0.57 0.00 0.00 34.95 34.38 1afp s ARG 35 CO 0.86 -0.03 0.82 -3.47 -1.08 0.00 0.00 175.30 172.39 1afp n ASP 36 N 2.02 -0.35 0.00 -2.89 2.03 -1.26 0.10 116.55 116.20 1afp n ASP 36 Ca -0.12 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1afp n ASP 36 Cb 0.56 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 1.50 3.29 3.74 0.27 0.00 0.56 -4.97 105.19 109.58 1afp n GLY 37 Ca 0.18 0.00 -0.66 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.35 -1.24 -1.76 4.61 0.00 0.28 -4.25 120.51 116.80 1afp n ALA 38 Ca 0.00 0.49 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 1afp n ALA 38 Cb 0.00 -1.96 0.03 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 3.01 3.13 0.25 0.00 2.20 -1.26 0.18 119.74 127.25 1afp s LYS 39 Ca 1.04 1.88 -0.20 0.00 -0.36 0.00 0.00 55.97 58.33 1afp s LYS 39 Cb -1.43 -2.06 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1afp s LYS 39 CO 0.79 -1.09 0.65 0.00 -0.36 0.00 0.00 175.35 175.34 1afp s GLU 41 N -3.91 0.62 -0.42 0.00 -1.05 -1.16 0.05 118.70 112.83 1afp s GLU 41 Ca 0.11 -0.76 -0.13 0.00 -0.15 0.00 0.00 54.97 54.05 1afp s GLU 41 Cb -0.04 -0.47 0.05 0.00 -0.44 0.00 0.00 34.13 33.22 1afp s GLU 41 CO 0.04 0.10 0.29 0.12 0.95 0.00 0.00 175.26 176.77 1afp s PHE 42 N -1.22 3.26 0.01 4.83 5.36 -1.21 -2.48 117.98 126.53 1afp s PHE 42 Ca -0.06 -0.97 -0.30 0.00 -0.96 0.00 0.00 56.93 54.63 1afp s PHE 42 Cb -0.09 -2.79 -0.04 0.00 -0.34 0.00 0.00 43.02 39.76 1afp s PHE 42 CO 0.01 -0.72 1.10 -0.51 -1.46 0.00 0.00 175.22 173.64 1afp s ASP 43 N 2.00 7.20 -0.24 6.13 1.11 -1.26 -2.03 116.67 129.58 1afp s ASP 43 Ca 0.03 1.81 0.03 0.00 0.18 0.00 0.00 52.55 54.60 1afp s ASP 43 Cb -0.21 -2.57 0.39 0.00 1.07 0.00 0.00 42.92 41.60 1afp s ASP 43 CO 0.07 -0.41 1.49 -1.54 1.18 0.00 0.00 175.17 175.96 1afp n SER 44 N 4.20 3.46 -0.01 0.27 3.41 -1.26 -2.44 113.62 121.25 1afp n SER 44 Ca 0.08 -2.88 0.01 0.00 -0.26 0.00 0.00 58.87 55.82 1afp n SER 44 Cb 0.48 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 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 -0.36 0.00 0.04 7.33 4.01 -1.26 -4.88 117.16 122.04 1afp n TYR 45 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 1afp n TYR 45 Cb 1.14 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.97 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 -1.90 0.00 0.00 -0.72 5.02 -1.24 -5.06 118.16 114.26 1afp n LYS 46 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1afp n LYS 46 Cb 0.36 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 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 2.31 1.70 0.00 0.72 0.00 -1.02 -5.11 105.19 103.79 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 0.28 0.00 0.00 0.00 173.32 173.60 1afp n LYS 48 N -0.49 0.50 -3.38 1.61 5.02 -1.26 -4.96 118.16 115.21 1afp n LYS 48 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1afp n LYS 48 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 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 3.48 1.65 0.74 0.00 4.02 -1.03 -4.65 117.16 121.37 1afp n TYR 50 Ca 0.20 0.17 0.09 0.00 -0.01 0.00 0.00 57.90 58.35 1afp n TYR 50 Cb 0.44 -2.58 0.07 0.00 -0.02 0.00 0.00 39.34 37.25 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85