#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afp n THR 2 N 0.00 2.16 -2.24 0.00 -1.04 -1.26 -4.62 114.28 107.28 1afp n THR 2 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1afp n THR 2 Cb 0.00 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 1afp n THR 2 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1afp n TYR 3 N -0.01 -2.03 -3.73 -1.42 4.01 -1.07 -4.86 117.16 108.05 1afp n TYR 3 Ca 0.08 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 1afp n TYR 3 Cb 0.36 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.39 0.00 7.72 -0.87 -1.26 -3.60 114.94 115.54 1afp s ASN 4 Ca 0.00 0.73 0.00 0.00 -1.57 0.00 0.00 52.86 52.02 1afp s ASN 4 Cb 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 41.25 41.90 1afp s ASN 4 CO 0.00 -0.15 0.00 0.61 -2.57 0.00 0.00 177.10 174.99 1afp n GLY 5 N 3.57 3.19 3.17 0.66 0.00 -0.13 -4.39 105.19 111.26 1afp n GLY 5 Ca -0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 4.97 0.93 0.05 1.61 1.02 0.75 -2.57 119.74 126.50 1afp s LYS 6 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1afp s LYS 6 Cb 0.00 0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1afp s LYS 6 CO 0.00 -0.27 -0.05 0.00 -0.92 0.00 0.00 175.35 174.12 1afp s TYR 8 N -2.93 2.62 -0.09 0.00 2.02 0.56 -1.50 117.35 118.03 1afp s TYR 8 Ca 0.01 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.04 1afp s TYR 8 Cb 0.01 -1.65 -0.25 0.00 -0.40 0.00 0.00 41.96 39.67 1afp s TYR 8 CO -0.05 0.00 0.91 1.57 -1.57 0.00 0.00 175.55 176.41 1afp h LYS 9 N 5.76 0.07 -0.69 -0.62 5.09 -1.82 1.78 116.57 126.13 1afp h LYS 9 Ca -0.39 -0.10 0.10 0.00 0.09 0.00 0.00 60.65 60.35 1afp h LYS 9 Cb 1.16 0.03 -0.07 0.00 0.10 0.00 0.00 32.23 33.45 1afp h LYS 9 CO 0.50 0.94 0.32 -0.22 -2.09 0.00 0.00 179.45 178.90 1afp h LYS 10 N -0.75 0.52 0.00 0.07 3.64 -1.95 0.49 116.57 118.59 1afp h LYS 10 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1afp h LYS 10 Cb 1.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1afp h LYS 10 CO 0.03 0.34 -0.77 -0.25 -2.27 0.00 0.00 179.45 176.53 1afp n ASP 11 N -4.91 0.64 -3.95 4.20 8.00 -1.24 -4.96 116.55 114.32 1afp n ASP 11 Ca 0.11 -0.05 -0.30 0.00 0.71 0.00 0.00 54.79 55.26 1afp n ASP 11 Cb 0.29 0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.80 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1afp n ASN 12 N -1.98 -1.67 -3.93 -2.24 4.05 0.59 -4.84 115.26 105.23 1afp n ASN 12 Ca 0.03 -1.08 -0.18 0.00 0.45 0.00 0.00 54.58 53.80 1afp n ASN 12 Cb 0.43 -2.78 -0.09 0.00 1.23 0.00 0.00 39.78 38.57 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 -3.86 0.26 -0.10 -1.44 -5.25 -0.14 -1.58 121.20 109.09 1afp s ILE 13 Ca 0.16 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.82 1afp s ILE 13 Cb -0.07 -2.51 0.02 0.00 2.95 0.00 0.00 42.46 42.86 1afp s ILE 13 CO 0.91 0.00 -0.08 0.00 -1.79 0.00 0.00 174.94 173.98 1afp s LYS 15 N 1.48 2.65 0.17 0.00 -2.85 0.38 0.12 119.74 121.69 1afp s LYS 15 Ca 0.00 -0.74 -0.23 0.00 -1.00 0.00 0.00 55.97 54.00 1afp s LYS 15 Cb -0.13 -2.37 0.06 0.00 -2.06 0.00 0.00 37.83 33.33 1afp s LYS 15 CO -0.05 0.50 0.61 1.52 0.10 0.00 0.00 175.35 178.03 1afp s TYR 16 N -0.42 -0.50 -0.58 1.78 1.13 -1.26 -0.18 117.35 117.31 1afp s TYR 16 Ca 0.05 0.27 -0.22 0.00 -1.41 0.00 0.00 57.07 55.75 1afp s TYR 16 Cb -0.12 0.57 0.06 0.00 -1.10 0.00 0.00 41.96 41.37 1afp s TYR 16 CO 0.02 -0.89 0.87 0.15 -2.51 0.00 0.00 175.55 173.20 1afp s LYS 17 N -3.77 3.19 0.96 -3.49 1.02 -1.26 -4.17 119.74 112.22 1afp s LYS 17 Ca 0.02 -0.66 -0.15 0.00 0.02 0.00 0.00 55.97 55.21 1afp s LYS 17 Cb -0.01 -4.14 -0.05 0.00 -0.52 0.00 0.00 37.83 33.11 1afp s LYS 17 CO -0.11 -1.56 -0.13 0.00 -0.92 0.00 0.00 175.35 172.64 1afp n ALA 18 N 7.23 -3.84 0.11 5.17 0.00 -1.26 -4.69 120.51 123.23 1afp n ALA 18 Ca -0.03 -0.62 0.18 0.00 0.00 0.00 0.00 53.44 52.97 1afp n ALA 18 Cb 0.46 -1.51 0.75 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.25 0.00 0.00 0.00 4.15 -1.96 0.01 115.11 116.06 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 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1afp h GLN 19 CO 0.30 0.00 -0.06 -1.13 -1.93 0.00 0.00 178.83 176.00 1afp n SER 20 N -4.08 1.81 0.00 -0.69 3.41 -1.26 -4.95 113.62 107.86 1afp n SER 20 Ca 0.05 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 1afp n SER 20 Cb 0.46 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.91 0.24 0.11 5.00 0.00 -0.01 -4.87 105.19 104.74 1afp n GLY 21 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.24 0.00 1.61 3.64 -1.93 -3.44 116.57 116.80 1afp h LYS 22 Ca 0.00 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1afp h LYS 22 Cb 0.46 0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1afp h LYS 22 CO 0.00 -0.16 -0.02 -2.37 -2.27 0.00 0.00 179.45 174.63 1afp n THR 23 N -3.19 0.00 -2.44 1.00 5.66 -1.26 -4.92 114.28 109.14 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 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -2.26 0.00 -1.60 1.79 0.00 -1.26 -4.40 120.51 112.78 1afp n ALA 24 Ca -0.02 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.95 1afp n ALA 24 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 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 0.98 -3.59 0.00 5.41 -1.26 -4.36 119.36 116.55 1afp n ILE 25 Ca 0.00 -0.25 -0.24 0.00 1.00 0.00 0.00 62.75 63.26 1afp n ILE 25 Cb 0.00 -1.00 -0.16 0.00 -0.71 0.00 0.00 39.64 37.76 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 5.29 0.00 -0.11 0.00 5.02 -1.26 -1.54 118.16 125.56 1afp n LYS 27 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1afp n LYS 27 Cb 0.49 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp n TYR 29 N -1.39 0.00 -0.19 0.00 4.19 -1.26 -4.97 117.16 113.54 1afp n TYR 29 Ca 0.00 0.00 0.29 0.00 3.31 0.00 0.00 57.90 61.50 1afp n TYR 29 Cb 0.00 0.00 0.73 0.00 0.49 0.00 0.00 39.34 40.56 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1afp h VAL 30 N 0.00 0.52 -0.70 2.97 2.07 -2.00 -1.54 116.25 117.57 1afp h VAL 30 Ca 0.00 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 66.91 1afp h VAL 30 Cb 0.00 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 1afp h VAL 30 CO 0.00 0.00 2.09 0.29 0.02 0.00 0.00 177.57 179.97 1afp n LYS 31 N -4.23 3.67 -1.11 1.57 4.76 -1.26 -4.97 118.16 116.58 1afp n LYS 31 Ca 0.19 -2.65 -0.37 0.00 -2.87 0.00 0.00 58.31 52.62 1afp n LYS 31 Cb 0.99 -2.51 0.02 0.00 -1.84 0.00 0.00 35.03 31.69 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1afp n LYS 32 N 2.14 0.00 -2.26 1.97 4.81 -0.58 -4.46 118.16 119.78 1afp n LYS 32 Ca 0.62 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.66 1afp n LYS 32 Cb 0.38 -0.97 -0.03 0.00 0.02 0.00 0.00 35.03 34.43 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 3.46 0.30 -1.50 0.00 0.13 -1.89 -3.38 132.00 129.12 1afp h PRO 34 Ca -0.48 -0.29 0.09 0.00 -0.87 0.00 0.00 66.00 64.44 1afp h PRO 34 Cb 1.22 0.08 -0.28 0.00 0.13 0.00 0.00 31.00 32.15 1afp h PRO 34 CO 0.66 0.98 0.53 -0.98 -0.23 0.00 0.00 178.00 178.96 1afp s ARG 35 N -3.32 0.42 0.07 0.86 1.70 -1.26 -4.80 118.95 112.61 1afp s ARG 35 Ca -0.14 0.50 -0.27 0.00 -0.47 0.00 0.00 55.73 55.34 1afp s ARG 35 Cb 0.03 0.20 -0.15 0.00 -0.57 0.00 0.00 34.95 34.46 1afp s ARG 35 CO 0.78 -0.05 0.66 -3.47 -1.08 0.00 0.00 175.30 172.13 1afp n ASP 36 N 2.12 -0.43 0.00 -2.89 2.03 -1.25 0.85 116.55 116.98 1afp n ASP 36 Ca -0.12 0.90 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1afp n ASP 36 Cb 0.56 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 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 1.35 3.23 3.73 0.27 0.00 -0.56 -4.97 105.19 108.24 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 -1.06 -0.91 -1.76 4.61 0.00 0.25 -4.34 120.51 117.29 1afp n ALA 38 Ca 0.00 0.45 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 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 3.16 3.53 0.10 0.00 2.36 -1.26 0.11 119.74 127.74 1afp s LYS 39 Ca 1.02 1.95 -0.19 0.00 -2.55 0.00 0.00 55.97 56.19 1afp s LYS 39 Cb -1.32 -2.35 0.05 0.00 -1.05 0.00 0.00 37.83 33.16 1afp s LYS 39 CO 0.75 -0.79 0.48 0.00 1.55 0.00 0.00 175.35 177.33 1afp s GLU 41 N -3.28 2.20 -0.51 0.00 2.02 -0.78 -0.96 118.70 117.39 1afp s GLU 41 Ca -0.01 -0.89 -0.17 0.00 0.02 0.00 0.00 54.97 53.92 1afp s GLU 41 Cb 0.00 -2.10 0.08 0.00 0.10 0.00 0.00 34.13 32.22 1afp s GLU 41 CO -0.08 0.55 0.52 0.12 0.02 0.00 0.00 175.26 176.39 1afp s PHE 42 N -0.59 3.16 0.01 1.61 5.36 -1.24 -0.19 117.98 126.10 1afp s PHE 42 Ca 0.09 -0.90 -0.30 0.00 -0.96 0.00 0.00 56.93 54.86 1afp s PHE 42 Cb -0.10 -3.50 -0.07 0.00 -0.34 0.00 0.00 43.02 39.00 1afp s PHE 42 CO -0.00 -0.97 1.73 0.34 -1.46 0.00 0.00 175.22 174.86 1afp s ASP 43 N 2.95 6.59 -0.12 6.13 2.15 -0.93 -2.59 116.67 130.86 1afp s ASP 43 Ca 0.08 2.43 0.08 0.00 0.43 0.00 0.00 52.55 55.56 1afp s ASP 43 Cb -0.24 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.28 1afp s ASP 43 CO 0.07 -0.95 1.18 -1.54 -0.17 0.00 0.00 175.17 173.76 1afp n SER 44 N 6.74 3.50 -0.02 -0.34 3.41 -1.26 -1.33 113.62 124.32 1afp n SER 44 Ca 0.17 -2.48 0.01 0.00 -0.26 0.00 0.00 58.87 56.32 1afp n SER 44 Cb 0.42 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.71 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 0.35 0.00 0.00 7.33 4.01 -1.26 -4.86 117.16 122.73 1afp n TYR 45 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1afp n TYR 45 Cb 0.75 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 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 -2.02 0.00 0.00 -0.72 5.02 -1.24 -5.05 118.16 114.16 1afp n LYS 46 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1afp n LYS 46 Cb 0.45 -0.23 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 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 2.05 1.31 3.74 0.72 0.00 -0.44 -5.08 105.19 107.48 1afp n GLY 47 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.17 4.77 -0.77 1.61 3.01 -1.26 -4.80 119.74 122.13 1afp s LYS 48 Ca 0.00 1.50 -0.20 0.00 -1.01 0.00 0.00 55.97 56.26 1afp s LYS 48 Cb 0.00 -3.32 0.11 0.00 -1.01 0.00 0.00 37.83 33.61 1afp s LYS 48 CO 0.00 0.35 0.99 0.00 0.51 0.00 0.00 175.35 177.20 1afp s TYR 50 N 3.13 1.09 -2.47 0.00 1.51 0.73 -4.74 117.35 116.60 1afp s TYR 50 Ca 0.25 1.51 0.20 0.00 -1.01 0.00 0.00 57.07 58.02 1afp s TYR 50 Cb -0.12 -3.61 0.16 0.00 -0.11 0.00 0.00 41.96 38.27 1afp s TYR 50 CO 0.00 -2.58 1.13 0.00 -1.11 0.00 0.00 175.55 172.99