#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 3.47 -2.26 0.00 -1.04 -1.26 -4.54 114.28 108.65 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 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 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 -0.82 -0.23 -3.63 -1.42 4.01 -1.10 -4.88 117.16 109.10 1afp n TYR 3 Ca 0.09 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.68 1afp n TYR 3 Cb 0.43 0.00 -0.07 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 -0.69 -0.66 0.00 7.72 0.01 -1.26 -3.71 114.94 116.35 1afp s ASN 4 Ca 0.00 1.13 0.00 0.00 -0.71 0.00 0.00 52.86 53.28 1afp s ASN 4 Cb 0.00 1.11 0.00 0.00 0.41 0.00 0.00 41.25 42.77 1afp s ASN 4 CO 0.00 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 1afp n GLY 5 N 2.24 2.45 3.17 0.66 0.00 -0.75 -4.53 105.19 108.42 1afp n GLY 5 Ca -0.15 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 4.80 0.52 0.24 1.61 1.02 -0.56 -2.74 119.74 124.63 1afp s LYS 6 Ca 0.00 -0.16 0.10 0.00 0.02 0.00 0.00 55.97 55.93 1afp s LYS 6 Cb 0.00 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.49 1afp s LYS 6 CO 0.00 -0.13 -0.16 0.00 -0.92 0.00 0.00 175.35 174.14 1afp s TYR 8 N -2.77 2.62 -0.19 0.00 2.02 0.86 -1.89 117.35 118.00 1afp s TYR 8 Ca 0.26 -0.22 -0.19 0.00 -0.37 0.00 0.00 57.07 56.55 1afp s TYR 8 Cb -0.02 -1.34 -0.20 0.00 -0.40 0.00 0.00 41.96 39.99 1afp s TYR 8 CO 0.11 0.45 0.25 1.57 -1.57 0.00 0.00 175.55 176.36 1afp h LYS 9 N 3.35 0.05 -0.71 -0.62 5.09 -1.83 0.50 116.57 122.39 1afp h LYS 9 Ca -0.48 -0.08 0.05 0.00 0.09 0.00 0.00 60.65 60.23 1afp h LYS 9 Cb 1.18 0.03 -0.04 0.00 0.10 0.00 0.00 32.23 33.50 1afp h LYS 9 CO 0.51 1.04 0.47 -0.22 -2.09 0.00 0.00 179.45 179.16 1afp h LYS 10 N -0.81 0.76 0.00 0.07 3.64 -1.95 -1.57 116.57 116.71 1afp h LYS 10 Ca -0.36 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 1afp h LYS 10 Cb 1.43 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1afp h LYS 10 CO -0.16 0.50 -1.82 -0.25 -2.27 0.00 0.00 179.45 175.45 1afp n ASP 11 N -4.47 0.17 -3.83 4.20 10.43 -1.26 -4.99 116.55 116.80 1afp n ASP 11 Ca 0.10 0.07 -0.27 0.00 2.57 0.00 0.00 54.79 57.25 1afp n ASP 11 Cb 0.19 1.65 0.01 0.00 1.84 0.00 0.00 41.12 44.80 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 -2.37 -2.13 -3.85 -2.24 4.05 0.17 -4.92 115.26 103.97 1afp n ASN 12 Ca -0.04 -0.99 -0.12 0.00 0.45 0.00 0.00 54.58 53.88 1afp n ASN 12 Cb 0.59 -3.29 -0.12 0.00 1.23 0.00 0.00 39.78 38.20 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 -3.75 0.03 -0.25 -1.44 -5.25 -0.82 -2.06 121.20 107.66 1afp s ILE 13 Ca 0.16 -0.28 -0.11 0.00 -0.99 0.00 0.00 60.65 59.43 1afp s ILE 13 Cb -0.06 -0.28 -0.05 0.00 2.95 0.00 0.00 42.46 45.02 1afp s ILE 13 CO 0.87 -0.15 0.19 0.00 -1.79 0.00 0.00 174.94 174.06 1afp s LYS 15 N 1.34 3.24 0.19 0.00 1.02 0.16 0.13 119.74 125.82 1afp s LYS 15 Ca 0.08 -0.71 -0.19 0.00 0.02 0.00 0.00 55.97 55.17 1afp s LYS 15 Cb -0.14 -2.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1afp s LYS 15 CO 0.07 0.26 0.54 1.52 -0.92 0.00 0.00 175.35 176.81 1afp s TYR 16 N 0.23 -0.20 -0.62 3.18 1.13 -1.26 -1.50 117.35 118.30 1afp s TYR 16 Ca -0.10 -0.13 -0.20 0.00 -1.41 0.00 0.00 57.07 55.24 1afp s TYR 16 Cb -0.16 0.43 0.09 0.00 -1.10 0.00 0.00 41.96 41.23 1afp s TYR 16 CO 0.06 -0.91 0.81 0.21 -2.51 0.00 0.00 175.55 173.21 1afp s LYS 17 N -3.85 3.08 0.97 -3.49 2.47 -1.26 -4.27 119.74 113.39 1afp s LYS 17 Ca 0.07 -1.16 -0.17 0.00 -1.56 0.00 0.00 55.97 53.16 1afp s LYS 17 Cb -0.01 -4.27 -0.14 0.00 -1.46 0.00 0.00 37.83 31.95 1afp s LYS 17 CO -0.05 -1.65 -0.70 0.00 0.16 0.00 0.00 175.35 173.12 1afp n ALA 18 N 6.83 -5.21 0.22 3.13 0.00 -1.26 -4.67 120.51 119.55 1afp n ALA 18 Ca -0.07 -0.65 0.14 0.00 0.00 0.00 0.00 53.44 52.86 1afp n ALA 18 Cb 0.44 -1.20 0.75 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.98 0.00 0.00 0.00 4.15 -1.95 -1.48 115.11 114.84 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 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1afp h GLN 19 CO 0.25 0.00 0.00 -1.13 -1.93 0.00 0.00 178.83 176.02 1afp n SER 20 N -2.48 0.56 0.00 -0.69 3.41 -1.26 -4.97 113.62 108.18 1afp n SER 20 Ca -0.02 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 1afp n SER 20 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.13 0.82 0.20 5.00 0.00 -0.56 -4.89 105.19 105.61 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 2.43 -0.46 0.00 1.61 3.64 -1.94 -3.43 116.57 118.42 1afp h LYS 22 Ca 0.00 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1afp h LYS 22 Cb 0.01 0.10 0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1afp h LYS 22 CO 0.00 -0.31 -0.02 -2.37 -2.27 0.00 0.00 179.45 174.49 1afp n THR 23 N -3.71 0.00 -0.58 1.00 5.66 -1.26 -4.93 114.28 110.45 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 0.19 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 -2.30 0.00 -1.75 1.79 0.00 -1.26 -4.44 120.51 112.54 1afp n ALA 24 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 1afp n ALA 24 Cb 0.06 0.00 -0.00 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 1.90 -3.48 0.00 2.08 -1.26 -4.16 119.36 114.44 1afp n ILE 25 Ca 0.00 -0.48 -0.19 0.00 0.56 0.00 0.00 62.75 62.64 1afp n ILE 25 Cb 0.00 -1.88 -0.13 0.00 -0.75 0.00 0.00 39.64 36.88 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 5.31 0.00 -2.88 0.00 5.02 -1.26 -0.67 118.16 123.68 1afp n LYS 27 Ca -0.05 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.81 1afp n LYS 27 Cb 0.48 -0.78 -0.03 0.00 -0.02 0.00 0.00 35.03 34.69 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp s TYR 29 N 2.98 2.30 0.21 0.00 5.04 -1.26 -4.45 117.35 122.17 1afp s TYR 29 Ca 0.34 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 1afp s TYR 29 Cb -0.04 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 38.42 1afp s TYR 29 CO -0.09 -3.44 0.00 1.33 -1.34 0.00 0.00 175.55 172.01 1afp n VAL 30 N 5.15 -1.71 -3.09 3.14 0.24 -1.26 -4.84 118.33 115.96 1afp n VAL 30 Ca 0.16 0.69 -0.20 0.00 -2.04 0.00 0.00 64.34 62.95 1afp n VAL 30 Cb 0.43 -1.05 0.02 0.00 -1.47 0.00 0.00 33.84 31.77 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 -1.53 -1.05 -0.50 7.34 4.81 -1.26 -4.84 118.16 121.13 1afp n LYS 31 Ca 0.00 1.00 -0.17 0.00 -0.87 0.00 0.00 58.31 58.27 1afp n LYS 31 Cb 0.11 -1.37 0.15 0.00 0.02 0.00 0.00 35.03 33.94 1afp n LYS 31 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1afp n LYS 32 N 0.45 -2.46 -2.53 1.64 4.01 -1.26 -4.75 118.16 113.26 1afp n LYS 32 Ca -0.04 -0.73 -0.38 0.00 -0.51 0.00 0.00 58.31 56.64 1afp n LYS 32 Cb 0.54 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.53 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 3.16 0.50 -1.68 0.00 0.13 -1.90 -3.37 132.00 128.84 1afp h PRO 34 Ca -0.47 -0.49 0.05 0.00 -0.87 0.00 0.00 66.00 64.22 1afp h PRO 34 Cb 1.21 0.13 -0.25 0.00 0.13 0.00 0.00 31.00 32.22 1afp h PRO 34 CO 0.65 1.13 0.35 -0.98 -0.23 0.00 0.00 178.00 178.91 1afp s ARG 35 N -3.40 0.55 0.10 0.86 1.70 -1.26 -4.84 118.95 112.65 1afp s ARG 35 Ca -0.12 0.73 -0.26 0.00 -0.47 0.00 0.00 55.73 55.61 1afp s ARG 35 Cb 0.05 0.22 -0.15 0.00 -0.57 0.00 0.00 34.95 34.50 1afp s ARG 35 CO 0.84 -0.08 0.59 -3.47 -1.08 0.00 0.00 175.30 172.10 1afp n ASP 36 N 2.82 -0.62 0.00 -2.89 2.03 -1.26 -0.38 116.55 116.25 1afp n ASP 36 Ca -0.15 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.08 1afp n ASP 36 Cb 0.56 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 1.44 3.24 3.61 0.27 0.00 -0.79 -4.99 105.19 107.97 1afp n GLY 37 Ca 0.15 0.00 -0.65 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.96 -1.32 -1.78 4.61 0.00 0.49 -4.33 120.51 117.22 1afp n ALA 38 Ca 0.00 0.48 -0.35 0.00 0.00 0.00 0.00 53.44 53.57 1afp n ALA 38 Cb 0.00 -1.85 -0.01 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 2.88 3.60 0.34 0.00 2.20 -1.26 0.14 119.74 127.64 1afp s LYS 39 Ca 1.01 1.57 -0.07 0.00 -0.36 0.00 0.00 55.97 58.12 1afp s LYS 39 Cb -1.44 -2.14 0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1afp s LYS 39 CO 0.79 -0.64 0.57 0.00 -0.36 0.00 0.00 175.35 175.72 1afp s GLU 41 N -2.44 0.30 -0.55 0.00 8.01 -1.25 -1.82 118.70 120.96 1afp s GLU 41 Ca 0.21 -0.06 -0.14 0.00 0.01 0.00 0.00 54.97 54.99 1afp s GLU 41 Cb -0.03 0.13 0.14 0.00 -4.31 0.00 0.00 34.13 30.06 1afp s GLU 41 CO 0.15 -0.06 0.48 0.12 0.01 0.00 0.00 175.26 175.96 1afp s PHE 42 N -0.56 3.35 0.01 1.61 5.36 -1.24 -2.02 117.98 124.49 1afp s PHE 42 Ca -0.06 -1.56 -0.30 0.00 -0.96 0.00 0.00 56.93 54.05 1afp s PHE 42 Cb -0.04 -3.70 -0.07 0.00 -0.34 0.00 0.00 43.02 38.86 1afp s PHE 42 CO 0.01 -1.01 1.77 0.16 -1.46 0.00 0.00 175.22 174.69 1afp s ASP 43 N 3.14 6.57 -0.06 6.13 -4.77 -1.26 -2.70 116.67 123.71 1afp s ASP 43 Ca 0.05 2.46 0.08 0.00 -3.30 0.00 0.00 52.55 51.84 1afp s ASP 43 Cb -0.27 -2.54 0.32 0.00 -1.09 0.00 0.00 42.92 39.34 1afp s ASP 43 CO 0.01 -0.97 1.12 -1.54 0.70 0.00 0.00 175.17 174.49 1afp n SER 44 N 6.92 2.48 -0.08 2.11 3.41 -1.26 -1.72 113.62 125.49 1afp n SER 44 Ca 0.18 -2.23 -0.05 0.00 -0.26 0.00 0.00 58.87 56.50 1afp n SER 44 Cb 0.42 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.34 0.00 0.01 7.33 4.01 -1.26 -4.79 117.16 122.80 1afp n TYR 45 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1afp n TYR 45 Cb 0.50 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 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 -2.60 0.00 0.00 -0.72 5.02 -1.23 -5.06 118.16 113.57 1afp n LYS 46 Ca -0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1afp n LYS 46 Cb 0.99 -0.44 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 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 2.89 1.87 0.00 0.72 0.00 -0.70 -5.11 105.19 104.86 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 -0.50 2.07 -2.83 1.61 4.81 -1.25 -4.97 118.16 117.09 1afp n LYS 48 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1afp n LYS 48 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp n TYR 50 N 1.54 -2.40 -1.16 0.00 4.02 -0.85 -4.39 117.16 113.91 1afp n TYR 50 Ca 0.11 0.38 0.00 0.00 -0.01 0.00 0.00 57.90 58.38 1afp n TYR 50 Cb 0.62 -1.40 0.00 0.00 -0.02 0.00 0.00 39.34 38.54 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85