#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 3.96 0.00 0.00 2.01 -1.26 -4.33 115.64 116.02 1afp s THR 2 Ca 0.00 1.74 0.00 0.00 0.31 0.00 0.00 61.69 63.74 1afp s THR 2 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1afp s THR 2 CO 0.00 0.24 0.00 -1.22 -0.69 0.00 0.00 174.62 172.95 1afp n TYR 3 N 0.77 -2.37 -3.73 4.92 4.01 -0.93 -4.86 117.16 114.97 1afp n TYR 3 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 1afp n TYR 3 Cb 0.48 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.42 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 -0.98 -0.30 0.00 7.72 -0.87 -1.26 -3.13 114.94 116.13 1afp s ASN 4 Ca 0.00 0.35 0.00 0.00 -1.57 0.00 0.00 52.86 51.64 1afp s ASN 4 Cb 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 41.25 41.71 1afp s ASN 4 CO 0.00 -0.37 0.00 0.61 -2.57 0.00 0.00 177.10 174.77 1afp n GLY 5 N 1.72 1.96 3.20 0.66 0.00 0.51 -4.33 105.19 108.90 1afp n GLY 5 Ca -0.19 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 4.58 0.76 0.20 1.61 1.02 -0.01 -2.83 119.74 125.06 1afp s LYS 6 Ca 0.00 -0.74 0.08 0.00 0.02 0.00 0.00 55.97 55.33 1afp s LYS 6 Cb 0.00 0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 37.58 1afp s LYS 6 CO 0.00 -0.23 -0.15 0.00 -0.92 0.00 0.00 175.35 174.05 1afp s TYR 8 N -2.81 2.67 -0.08 0.00 2.02 0.36 -1.51 117.35 118.01 1afp s TYR 8 Ca 0.21 -0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1afp s TYR 8 Cb -0.02 -1.38 -0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1afp s TYR 8 CO 0.07 0.43 -0.02 0.87 -1.57 0.00 0.00 175.55 175.33 1afp h LYS 9 N 3.51 0.00 -0.41 -0.62 1.57 -1.83 0.17 116.57 118.95 1afp h LYS 9 Ca -0.49 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.36 1afp h LYS 9 Cb 1.17 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.39 1afp h LYS 9 CO 0.51 0.00 -0.43 -0.22 -0.57 0.00 0.00 179.45 178.74 1afp h LYS 10 N -0.76 -0.31 0.00 3.15 3.64 -1.97 0.88 116.57 121.20 1afp h LYS 10 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1afp h LYS 10 Cb 0.05 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1afp h LYS 10 CO 0.00 -0.21 0.00 -0.25 -2.27 0.00 0.00 179.45 176.72 1afp n ASP 11 N -5.41 0.52 -4.14 4.20 10.43 -1.26 -4.90 116.55 116.00 1afp n ASP 11 Ca -0.01 0.58 -0.35 0.00 2.57 0.00 0.00 54.79 57.58 1afp n ASP 11 Cb 0.35 -0.71 -0.05 0.00 1.84 0.00 0.00 41.12 42.55 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 -2.03 -1.08 -3.89 -2.24 5.15 0.31 -4.82 115.26 106.66 1afp n ASN 12 Ca 0.04 -1.20 -0.23 0.00 -0.60 0.00 0.00 54.58 52.60 1afp n ASN 12 Cb 0.32 -1.47 -0.08 0.00 -0.53 0.00 0.00 39.78 38.02 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 -4.01 0.39 -0.13 -1.44 -5.25 -0.74 -1.60 121.20 108.41 1afp s ILE 13 Ca 0.19 -2.00 -0.00 0.00 -0.99 0.00 0.00 60.65 57.85 1afp s ILE 13 Cb -0.11 -2.42 0.03 0.00 2.95 0.00 0.00 42.46 42.91 1afp s ILE 13 CO 0.92 0.00 -0.08 0.00 -1.79 0.00 0.00 174.94 173.99 1afp s LYS 15 N 1.65 3.18 0.04 0.00 1.02 0.21 0.22 119.74 126.07 1afp s LYS 15 Ca 0.04 -0.60 -0.27 0.00 0.02 0.00 0.00 55.97 55.16 1afp s LYS 15 Cb -0.13 -2.67 0.08 0.00 -0.52 0.00 0.00 37.83 34.59 1afp s LYS 15 CO -0.08 0.40 0.73 1.52 -0.92 0.00 0.00 175.35 176.99 1afp s TYR 16 N -0.10 -0.50 -0.52 3.18 1.13 -1.26 -0.83 117.35 118.44 1afp s TYR 16 Ca 0.00 0.50 -0.24 0.00 -1.41 0.00 0.00 57.07 55.92 1afp s TYR 16 Cb -0.13 0.51 0.04 0.00 -1.10 0.00 0.00 41.96 41.27 1afp s TYR 16 CO 0.03 -0.67 0.91 0.21 -2.51 0.00 0.00 175.55 173.52 1afp s LYS 17 N -2.78 3.38 0.97 -3.49 2.36 -1.26 -4.18 119.74 114.73 1afp s LYS 17 Ca -0.01 -0.16 -0.14 0.00 -2.55 0.00 0.00 55.97 53.11 1afp s LYS 17 Cb -0.01 -4.01 -0.00 0.00 -1.05 0.00 0.00 37.83 32.76 1afp s LYS 17 CO -0.06 -1.38 0.12 0.00 1.55 0.00 0.00 175.35 175.58 1afp n ALA 18 N 7.29 -3.30 0.23 3.13 0.00 -1.26 -4.74 120.51 121.86 1afp n ALA 18 Ca 0.03 -0.65 0.15 0.00 0.00 0.00 0.00 53.44 52.97 1afp n ALA 18 Cb 0.48 -1.64 0.80 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.45 0.00 0.00 0.00 -0.00 -1.95 -1.30 115.11 110.41 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 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.77 1afp h GLN 19 CO 0.32 0.00 -0.02 -1.13 0.00 0.00 0.00 178.83 178.00 1afp n SER 20 N -2.53 0.60 0.00 -0.69 3.41 -1.26 -4.97 113.62 108.17 1afp n SER 20 Ca -0.02 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1afp n SER 20 Cb 0.05 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.16 0.76 0.18 5.00 0.00 -0.49 -4.89 105.19 105.59 1afp n GLY 21 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 2.27 -0.43 0.00 1.61 3.11 -1.93 -3.43 116.57 117.76 1afp h LYS 22 Ca 0.00 0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.81 1afp h LYS 22 Cb 0.01 0.10 0.04 0.00 -1.00 0.00 0.00 32.23 31.37 1afp h LYS 22 CO 0.00 -0.29 -0.03 -2.37 -2.81 0.00 0.00 179.45 173.95 1afp n THR 23 N -3.53 0.00 -1.53 1.00 5.66 -1.26 -4.93 114.28 109.69 1afp n THR 23 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1afp n THR 23 Cb 0.18 -0.17 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 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 -2.60 0.00 -1.64 1.79 0.00 -1.26 -4.43 120.51 112.36 1afp n ALA 24 Ca -0.03 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.93 1afp n ALA 24 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 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 0.14 -3.78 0.00 -0.00 -1.26 -4.28 119.36 110.18 1afp n ILE 25 Ca 0.00 -0.03 -0.30 0.00 -0.00 0.00 0.00 62.75 62.42 1afp n ILE 25 Cb 0.00 -1.29 -0.15 0.00 -0.00 0.00 0.00 39.64 38.20 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 4.77 0.05 0.00 0.00 2.85 -1.26 -0.92 118.16 123.65 1afp n LYS 27 Ca -0.02 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1afp n LYS 27 Cb 0.42 -1.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.74 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1afp s TYR 29 N 0.00 -0.17 0.00 0.00 6.14 -1.26 -5.02 117.35 117.04 1afp s TYR 29 Ca 0.00 0.09 0.00 0.00 0.64 0.00 0.00 57.07 57.80 1afp s TYR 29 Cb 0.00 0.03 0.00 0.00 0.42 0.00 0.00 41.96 42.41 1afp s TYR 29 CO 0.00 -0.10 0.00 0.28 0.64 0.00 0.00 175.55 176.37 1afp n VAL 30 N 4.79 0.00 -1.27 3.14 0.31 -1.26 -4.62 118.33 119.42 1afp n VAL 30 Ca 0.09 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.04 1afp n VAL 30 Cb 0.60 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.45 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 1.16 -1.23 5.55 5.02 -1.26 -4.90 118.16 122.51 1afp n LYS 31 Ca 0.00 -1.83 -0.38 0.00 -2.02 0.00 0.00 58.31 54.08 1afp n LYS 31 Cb 0.00 -3.09 0.02 0.00 -0.02 0.00 0.00 35.03 31.94 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1afp n LYS 32 N 7.55 0.07 -1.94 1.97 4.81 -1.26 -4.82 118.16 124.54 1afp n LYS 32 Ca 0.48 0.03 -0.37 0.00 -0.87 0.00 0.00 58.31 57.57 1afp n LYS 32 Cb 0.43 -1.13 0.03 0.00 0.02 0.00 0.00 35.03 34.38 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 1.37 0.64 0.00 0.00 0.13 -1.88 -3.43 132.00 128.83 1afp h PRO 34 Ca -0.50 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.00 1afp h PRO 34 Cb 1.29 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.58 1afp h PRO 34 CO 0.57 1.23 0.00 2.89 -0.23 0.00 0.00 178.00 182.46 1afp n ARG 35 N -4.00 0.00 -1.37 0.86 1.85 -1.26 -4.89 116.66 107.85 1afp n ARG 35 Ca -0.10 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.30 1afp n ARG 35 Cb 0.77 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.16 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 -1.76 0.00 2.89 -0.08 -1.23 -0.27 116.55 116.11 1afp n ASP 36 Ca 0.00 1.01 0.00 0.00 -1.51 0.00 0.00 54.79 54.29 1afp n ASP 36 Cb 0.00 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 42.52 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 2.10 2.85 3.51 0.27 0.00 -0.57 -4.95 105.19 108.40 1afp n GLY 37 Ca 0.15 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.48 -1.76 4.61 0.00 0.63 -4.41 120.51 118.95 1afp n ALA 38 Ca 0.00 0.33 -0.38 0.00 0.00 0.00 0.00 53.44 53.39 1afp n ALA 38 Cb 0.00 -2.04 0.01 0.00 0.00 0.00 0.00 19.45 17.42 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 4.52 3.66 0.13 0.00 2.36 -1.26 0.22 119.74 129.37 1afp s LYS 39 Ca 1.12 2.05 -0.18 0.00 -2.55 0.00 0.00 55.97 56.41 1afp s LYS 39 Cb -1.45 -2.49 0.04 0.00 -1.05 0.00 0.00 37.83 32.88 1afp s LYS 39 CO 0.72 -0.71 0.45 0.00 1.55 0.00 0.00 175.35 177.36 1afp s GLU 41 N -3.79 1.21 -0.39 0.00 -1.05 -1.20 -0.36 118.70 113.12 1afp s GLU 41 Ca 0.03 -0.94 -0.12 0.00 -0.15 0.00 0.00 54.97 53.78 1afp s GLU 41 Cb 0.01 -1.32 0.02 0.00 -0.44 0.00 0.00 34.13 32.40 1afp s GLU 41 CO -0.12 0.33 0.24 0.12 0.95 0.00 0.00 175.26 176.78 1afp s PHE 42 N -0.90 3.24 0.19 4.83 5.36 -1.18 -1.58 117.98 127.94 1afp s PHE 42 Ca 0.06 -0.83 -0.30 0.00 -0.96 0.00 0.00 56.93 54.89 1afp s PHE 42 Cb -0.09 -2.49 -0.08 0.00 -0.34 0.00 0.00 43.02 40.02 1afp s PHE 42 CO 0.02 -0.63 1.12 0.34 -1.46 0.00 0.00 175.22 174.62 1afp s ASP 43 N 1.60 7.22 0.10 6.13 -1.08 -1.26 -2.20 116.67 127.18 1afp s ASP 43 Ca 0.03 2.14 0.22 0.00 -0.52 0.00 0.00 52.55 54.43 1afp s ASP 43 Cb -0.19 -2.61 -0.10 0.00 -1.46 0.00 0.00 42.92 38.57 1afp s ASP 43 CO 0.08 -0.25 0.86 -1.54 0.52 0.00 0.00 175.17 174.84 1afp n SER 44 N 2.27 0.53 0.00 -0.34 3.41 -1.26 -0.77 113.62 117.46 1afp n SER 44 Ca 0.03 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1afp n SER 44 Cb 0.46 1.01 0.54 0.00 -0.26 0.00 0.00 64.21 65.96 1afp n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afp n TYR 45 N -2.38 0.00 0.14 7.33 4.11 -1.26 -4.58 117.16 120.52 1afp n TYR 45 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 1afp n TYR 45 Cb 0.53 -0.42 0.00 0.00 -0.00 0.00 0.00 39.34 39.45 1afp n TYR 45 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1afp n LYS 46 N -1.42 0.00 -0.60 -3.48 5.02 -1.25 -5.11 118.16 111.33 1afp n LYS 46 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1afp n LYS 46 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 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 -0.41 0.49 0.20 0.72 0.00 0.05 -5.02 105.19 101.23 1afp n GLY 47 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.44 2.85 -3.49 1.61 4.76 -1.26 -4.97 118.16 117.22 1afp n LYS 48 Ca 0.00 -1.76 -0.32 0.00 -2.87 0.00 0.00 58.31 53.36 1afp n LYS 48 Cb 0.20 -1.13 0.03 0.00 -1.84 0.00 0.00 35.03 32.29 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp n TYR 50 N -0.78 1.05 1.47 0.00 4.02 -0.61 -4.84 117.16 117.47 1afp n TYR 50 Ca -0.11 -0.05 0.14 0.00 -0.01 0.00 0.00 57.90 57.86 1afp n TYR 50 Cb 0.66 -2.53 0.50 0.00 -0.02 0.00 0.00 39.34 37.94 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85