#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 4.31 0.00 0.00 2.01 -1.26 -4.16 115.64 116.54 1afp s THR 2 Ca 0.00 1.95 0.00 0.00 0.31 0.00 0.00 61.69 63.95 1afp s THR 2 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.25 1afp s THR 2 CO 0.00 0.45 0.00 -1.22 -0.69 0.00 0.00 174.62 173.16 1afp n TYR 3 N 1.97 -2.07 -3.65 4.92 4.01 -1.04 -4.85 117.16 116.46 1afp n TYR 3 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 1afp n TYR 3 Cb 0.48 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.44 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 -0.47 0.00 7.72 0.01 -1.26 -3.31 114.94 116.64 1afp s ASN 4 Ca 0.00 0.61 0.00 0.00 -0.71 0.00 0.00 52.86 52.76 1afp s ASN 4 Cb 0.00 0.62 0.00 0.00 0.41 0.00 0.00 41.25 42.28 1afp s ASN 4 CO 0.00 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 175.77 1afp n GLY 5 N 1.57 1.68 3.42 0.66 0.00 0.89 -4.16 105.19 109.26 1afp n GLY 5 Ca -0.18 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 3.79 1.27 0.02 1.61 1.02 0.18 -3.10 119.74 124.53 1afp s LYS 6 Ca 0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 55.97 54.86 1afp s LYS 6 Cb 0.00 0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 37.72 1afp s LYS 6 CO 0.00 -0.50 0.03 0.00 -0.92 0.00 0.00 175.35 173.96 1afp s TYR 8 N -1.74 2.68 0.00 0.00 2.02 -0.95 -1.87 117.35 117.48 1afp s TYR 8 Ca -0.13 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1afp s TYR 8 Cb -0.07 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1afp s TYR 8 CO -0.01 0.19 0.85 1.63 -1.57 0.00 0.00 175.55 176.63 1afp n LYS 9 N 2.20 0.00 0.00 -0.62 5.02 -1.26 0.24 118.16 123.73 1afp n LYS 9 Ca -0.17 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1afp n LYS 9 Cb 0.52 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1afp n LYS 9 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1afp n LYS 10 N -1.60 0.00 0.27 1.97 4.81 -1.26 0.22 118.16 122.58 1afp n LYS 10 Ca 0.00 0.60 0.16 0.00 -0.87 0.00 0.00 58.31 58.20 1afp n LYS 10 Cb 0.00 -1.07 0.76 0.00 0.02 0.00 0.00 35.03 34.74 1afp n LYS 10 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1afp h ASP 11 N 0.00 0.00 -6.99 3.14 3.45 -2.01 -3.44 116.42 110.56 1afp h ASP 11 Ca 0.00 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.88 1afp h ASP 11 Cb 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.69 1afp h ASP 11 CO 0.00 0.00 -0.95 -3.20 -1.57 0.00 0.00 179.24 173.52 1afp n ASN 12 N -3.08 -2.26 -4.28 6.45 5.15 0.65 -4.76 115.26 113.13 1afp n ASN 12 Ca 0.01 -1.23 -0.21 0.00 -0.60 0.00 0.00 54.58 52.54 1afp n ASN 12 Cb 0.48 -1.49 -0.10 0.00 -0.53 0.00 0.00 39.78 38.14 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 -3.85 0.81 -0.32 -1.44 -5.25 -1.00 -0.03 121.20 110.11 1afp s ILE 13 Ca 0.31 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 58.01 1afp s ILE 13 Cb -0.18 -2.60 0.09 0.00 2.95 0.00 0.00 42.46 42.72 1afp s ILE 13 CO 0.93 0.00 0.02 0.00 -1.79 0.00 0.00 174.94 174.10 1afp s LYS 15 N 1.00 4.25 0.15 0.00 -2.85 0.36 0.23 119.74 122.89 1afp s LYS 15 Ca 0.07 0.10 -0.24 0.00 -1.00 0.00 0.00 55.97 54.89 1afp s LYS 15 Cb -0.19 -3.44 0.06 0.00 -2.06 0.00 0.00 37.83 32.20 1afp s LYS 15 CO -0.09 0.20 0.74 1.52 0.10 0.00 0.00 175.35 177.82 1afp s TYR 16 N 0.58 -0.36 -0.58 1.78 1.13 -1.26 0.47 117.35 119.11 1afp s TYR 16 Ca 0.17 0.09 -0.18 0.00 -1.41 0.00 0.00 57.07 55.73 1afp s TYR 16 Cb -0.13 0.60 0.10 0.00 -1.10 0.00 0.00 41.96 41.44 1afp s TYR 16 CO 0.04 -0.88 0.66 0.21 -2.51 0.00 0.00 175.55 173.07 1afp s LYS 17 N -3.60 3.04 1.06 -3.49 2.36 -1.26 -4.18 119.74 113.67 1afp s LYS 17 Ca 0.06 -1.36 -0.23 0.00 -2.55 0.00 0.00 55.97 51.89 1afp s LYS 17 Cb -0.02 -4.26 -0.05 0.00 -1.05 0.00 0.00 37.83 32.45 1afp s LYS 17 CO -0.05 -1.48 -0.79 0.00 1.55 0.00 0.00 175.35 174.57 1afp n ALA 18 N 6.13 -5.02 0.21 3.13 0.00 -1.26 -4.75 120.51 118.94 1afp n ALA 18 Ca -0.10 -1.34 0.06 0.00 0.00 0.00 0.00 53.44 52.05 1afp n ALA 18 Cb 0.42 -1.15 0.47 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.52 0.00 -0.01 0.00 4.15 -1.96 -2.80 115.11 112.97 1afp h GLN 19 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1afp h GLN 19 Cb 1.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.07 1afp h GLN 19 CO 0.30 0.28 0.00 -1.13 -1.93 0.00 0.00 178.83 176.34 1afp n SER 20 N -3.98 1.39 0.00 -0.69 3.41 -1.26 -4.96 113.62 107.52 1afp n SER 20 Ca -0.02 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1afp n SER 20 Cb 0.35 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.21 0.63 0.26 5.00 0.00 -1.06 -4.86 105.19 105.38 1afp n GLY 21 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 1.75 0.65 0.00 1.61 3.11 -1.93 -3.44 116.57 118.31 1afp h LYS 22 Ca 0.00 -0.23 -0.30 0.00 -2.81 0.00 0.00 60.65 57.32 1afp h LYS 22 Cb 0.08 -0.05 0.10 0.00 -1.00 0.00 0.00 32.23 31.37 1afp h LYS 22 CO 0.00 0.79 0.23 -2.37 -2.81 0.00 0.00 179.45 175.29 1afp n THR 23 N -4.15 0.00 0.00 1.00 5.66 -1.26 -5.03 114.28 110.50 1afp n THR 23 Ca 0.00 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 1afp n THR 23 Cb 0.38 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.64 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 -3.42 0.00 -1.66 1.79 0.00 -1.26 -4.43 120.51 111.52 1afp n ALA 24 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1afp n ALA 24 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -4.97 -3.15 0.00 5.41 -1.19 -4.94 119.36 110.53 1afp n ILE 25 Ca 0.00 2.30 0.04 0.00 1.00 0.00 0.00 62.75 66.09 1afp n ILE 25 Cb 0.00 -3.27 -0.01 0.00 -0.71 0.00 0.00 39.64 35.65 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 5.43 0.00 -1.76 0.00 0.00 -1.26 0.25 118.16 120.82 1afp n LYS 27 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1afp n LYS 27 Cb 0.52 -0.91 -0.05 0.00 -0.00 0.00 0.00 35.03 34.59 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1afp n TYR 29 N 10.23 0.09 -0.03 0.00 9.36 -1.26 -4.06 117.16 131.48 1afp n TYR 29 Ca 0.48 -0.04 -0.04 0.00 3.32 0.00 0.00 57.90 61.62 1afp n TYR 29 Cb 0.43 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.13 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1afp n VAL 30 N -0.32 0.79 -3.70 2.97 0.31 -1.26 -5.02 118.33 112.09 1afp n VAL 30 Ca 0.14 0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 64.65 1afp n VAL 30 Cb 0.17 -1.84 -0.12 0.00 -0.91 0.00 0.00 33.84 31.15 1afp n VAL 30 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1afp s LYS 31 N -1.94 0.32 0.85 5.55 1.02 -1.26 -5.03 119.74 119.25 1afp s LYS 31 Ca -0.13 0.70 -0.17 0.00 0.02 0.00 0.00 55.97 56.40 1afp s LYS 31 Cb 0.02 -0.05 -0.15 0.00 -0.52 0.00 0.00 37.83 37.13 1afp s LYS 31 CO 0.19 -0.17 -0.61 1.17 -0.92 0.00 0.00 175.35 175.01 1afp n LYS 32 N 4.31 0.00 -2.98 1.68 4.81 -1.26 -4.47 118.16 120.25 1afp n LYS 32 Ca -0.23 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.84 1afp n LYS 32 Cb 0.54 -0.99 -0.06 0.00 0.02 0.00 0.00 35.03 34.54 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 3.51 0.57 -1.09 0.00 0.13 -1.89 -3.41 132.00 129.82 1afp h PRO 34 Ca -0.47 -0.55 0.22 0.00 -0.87 0.00 0.00 66.00 64.33 1afp h PRO 34 Cb 1.19 0.14 -0.28 0.00 0.13 0.00 0.00 31.00 32.18 1afp h PRO 34 CO 0.65 1.18 0.92 -0.98 -0.23 0.00 0.00 178.00 179.54 1afp s ARG 35 N -3.41 0.09 0.08 0.86 1.70 -1.26 -4.86 118.95 112.14 1afp s ARG 35 Ca -0.12 0.03 -0.36 0.00 -0.47 0.00 0.00 55.73 54.82 1afp s ARG 35 Cb 0.06 0.04 -0.18 0.00 -0.57 0.00 0.00 34.95 34.29 1afp s ARG 35 CO 0.86 -0.02 0.95 -3.47 -1.08 0.00 0.00 175.30 172.54 1afp n ASP 36 N 0.75 -0.06 0.00 -2.89 2.03 -1.25 0.18 116.55 115.31 1afp n ASP 36 Ca -0.03 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.43 1afp n ASP 36 Cb 0.58 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 1.76 3.07 3.42 0.27 0.00 -0.78 -4.98 105.19 107.95 1afp n GLY 37 Ca 0.19 0.00 -0.62 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 -0.39 -0.86 -1.77 4.61 0.00 0.13 -4.27 120.51 117.96 1afp n ALA 38 Ca 0.00 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 1afp n ALA 38 Cb 0.00 -1.86 -0.00 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 3.66 3.64 0.14 0.00 2.36 -1.26 0.16 119.74 128.44 1afp s LYS 39 Ca 1.04 1.83 -0.15 0.00 -2.55 0.00 0.00 55.97 56.14 1afp s LYS 39 Cb -1.42 -2.36 0.02 0.00 -1.05 0.00 0.00 37.83 33.02 1afp s LYS 39 CO 0.73 -0.67 0.39 0.00 1.55 0.00 0.00 175.35 177.35 1afp s GLU 41 N -3.84 1.14 -0.41 0.00 -1.05 -1.26 -0.08 118.70 113.19 1afp s GLU 41 Ca 0.06 -1.14 -0.09 0.00 -0.15 0.00 0.00 54.97 53.65 1afp s GLU 41 Cb 0.02 -1.39 0.08 0.00 -0.44 0.00 0.00 34.13 32.40 1afp s GLU 41 CO -0.09 0.32 0.25 0.12 0.95 0.00 0.00 175.26 176.82 1afp s PHE 42 N -1.14 3.34 0.24 4.83 5.36 -1.21 -1.55 117.98 127.86 1afp s PHE 42 Ca 0.06 -1.56 -0.30 0.00 -0.96 0.00 0.00 56.93 54.18 1afp s PHE 42 Cb -0.10 -2.93 -0.09 0.00 -0.34 0.00 0.00 43.02 39.55 1afp s PHE 42 CO 0.04 -0.85 1.35 0.34 -1.46 0.00 0.00 175.22 174.65 1afp s ASP 43 N 2.07 6.80 0.05 6.13 -1.08 -0.82 -2.48 116.67 127.34 1afp s ASP 43 Ca 0.03 2.54 0.22 0.00 -0.52 0.00 0.00 52.55 54.82 1afp s ASP 43 Cb -0.23 -2.62 -0.10 0.00 -1.46 0.00 0.00 42.92 38.51 1afp s ASP 43 CO 0.02 -0.58 0.85 -1.54 0.52 0.00 0.00 175.17 174.44 1afp n SER 44 N 2.23 0.50 0.00 -0.34 3.41 -1.26 -1.17 113.62 116.99 1afp n SER 44 Ca 0.05 -0.10 0.06 0.00 -0.26 0.00 0.00 58.87 58.62 1afp n SER 44 Cb 0.42 1.11 0.28 0.00 -0.26 0.00 0.00 64.21 65.76 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 -2.16 0.00 0.16 7.33 4.11 -1.26 -4.35 117.16 121.00 1afp n TYR 45 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1afp n TYR 45 Cb 0.49 -0.46 0.00 0.00 -0.00 0.00 0.00 39.34 39.37 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 -1.46 0.00 0.00 -3.48 5.02 -1.25 -5.08 118.16 111.90 1afp n LYS 46 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1afp n LYS 46 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 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 0.18 0.94 3.73 0.72 0.00 -0.32 -5.09 105.19 105.35 1afp n GLY 47 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.13 2.14 -0.39 1.61 3.01 -1.20 -4.94 119.74 120.09 1afp s LYS 48 Ca 0.00 -2.24 0.03 0.00 -1.01 0.00 0.00 55.97 52.75 1afp s LYS 48 Cb 0.00 -1.65 0.11 0.00 -1.01 0.00 0.00 37.83 35.28 1afp s LYS 48 CO 0.00 -0.27 0.14 0.00 0.51 0.00 0.00 175.35 175.73 1afp n TYR 50 N 3.99 1.13 0.20 0.00 4.02 -0.59 -4.40 117.16 121.49 1afp n TYR 50 Ca 0.04 -1.35 0.02 0.00 -0.01 0.00 0.00 57.90 56.59 1afp n TYR 50 Cb 0.38 -1.34 0.09 0.00 -0.02 0.00 0.00 39.34 38.46 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85