#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 3.23 -0.25 0.00 2.01 -1.26 -4.09 115.64 115.28 1afp s THR 2 Ca 0.00 1.14 -0.04 0.00 0.31 0.00 0.00 61.69 63.10 1afp s THR 2 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1afp s THR 2 CO 0.00 0.20 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.82 1afp s TYR 3 N -1.28 3.04 0.28 4.92 1.51 -0.92 -4.90 117.35 119.99 1afp s TYR 3 Ca 0.51 -1.04 -0.28 0.00 -1.01 0.00 0.00 57.07 55.24 1afp s TYR 3 Cb -0.32 -2.14 -0.09 0.00 -0.11 0.00 0.00 41.96 39.29 1afp s TYR 3 CO 0.42 -0.58 0.95 -0.80 -1.11 0.00 0.00 175.55 174.42 1afp s ASN 4 N 1.46 7.51 0.00 2.29 0.02 -1.26 -0.38 114.94 124.57 1afp s ASN 4 Ca 0.04 1.91 0.00 0.00 -1.02 0.00 0.00 52.86 53.79 1afp s ASN 4 Cb -0.16 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.52 1afp s ASN 4 CO -0.02 0.05 0.00 0.61 0.02 0.00 0.00 177.10 177.77 1afp n GLY 5 N 1.10 2.23 3.40 0.66 0.00 0.17 -4.18 105.19 108.57 1afp n GLY 5 Ca -0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 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 1.41 1.51 0.31 1.61 1.02 0.05 -0.25 119.74 125.40 1afp s LYS 6 Ca 0.00 -1.79 0.03 0.00 0.02 0.00 0.00 55.97 54.22 1afp s LYS 6 Cb 0.00 -0.87 -0.05 0.00 -0.52 0.00 0.00 37.83 36.39 1afp s LYS 6 CO 0.00 -0.09 0.11 0.00 -0.92 0.00 0.00 175.35 174.45 1afp s TYR 8 N -3.53 0.28 0.00 0.00 1.51 -1.06 -0.89 117.35 113.66 1afp s TYR 8 Ca 0.35 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 1afp s TYR 8 Cb 0.06 -0.26 0.00 0.00 -0.11 0.00 0.00 41.96 41.65 1afp s TYR 8 CO 0.15 -0.05 0.92 1.63 -1.11 0.00 0.00 175.55 177.08 1afp n LYS 9 N 3.46 0.00 0.00 -0.62 5.02 -1.26 0.22 118.16 124.98 1afp n LYS 9 Ca -0.18 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1afp n LYS 9 Cb 0.55 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.82 0.00 0.27 1.97 4.81 -1.26 0.22 118.16 122.35 1afp n LYS 10 Ca 0.00 0.67 0.16 0.00 -0.87 0.00 0.00 58.31 58.27 1afp n LYS 10 Cb 0.00 -1.15 0.76 0.00 0.02 0.00 0.00 35.03 34.66 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 -6.89 3.14 3.45 -2.00 -3.45 116.42 110.67 1afp h ASP 11 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 1afp h ASP 11 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1afp h ASP 11 CO 0.00 0.00 -1.05 -3.20 -1.57 0.00 0.00 179.24 173.42 1afp n ASN 12 N -3.06 -4.37 -1.92 6.45 2.85 0.59 -4.85 115.26 110.95 1afp n ASN 12 Ca 0.00 -1.20 -0.08 0.00 -0.11 0.00 0.00 54.58 53.20 1afp n ASN 12 Cb 0.48 -1.65 -0.03 0.00 1.24 0.00 0.00 39.78 39.82 1afp n ASN 12 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1afp n ILE 13 N -4.26 0.00 -3.69 -1.44 -6.64 -0.94 -2.26 119.36 100.12 1afp n ILE 13 Ca -0.18 -0.98 -0.28 0.00 -1.77 0.00 0.00 62.75 59.54 1afp n ILE 13 Cb 0.61 0.50 -0.16 0.00 -1.44 0.00 0.00 39.64 39.15 1afp n ILE 13 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1afp s LYS 15 N 1.90 4.39 0.14 0.00 1.02 0.44 0.97 119.74 128.60 1afp s LYS 15 Ca 0.02 0.67 -0.11 0.00 0.02 0.00 0.00 55.97 56.56 1afp s LYS 15 Cb -0.17 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.71 1afp s LYS 15 CO -0.13 0.12 0.31 1.52 -0.92 0.00 0.00 175.35 176.25 1afp s TYR 16 N 0.69 0.16 0.61 3.18 1.13 -0.88 -0.77 117.35 121.46 1afp s TYR 16 Ca 0.32 -0.53 -0.17 0.00 -1.41 0.00 0.00 57.07 55.28 1afp s TYR 16 Cb -0.16 0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.73 1afp s TYR 16 CO 0.14 -0.70 1.11 0.15 -2.51 0.00 0.00 175.55 173.74 1afp s LYS 17 N -3.90 3.05 -0.43 -3.49 -0.14 -1.26 -1.40 119.74 112.17 1afp s LYS 17 Ca 0.10 1.44 0.04 0.00 -1.36 0.00 0.00 55.97 56.19 1afp s LYS 17 Cb 0.03 -1.98 0.45 0.00 -1.68 0.00 0.00 37.83 34.65 1afp s LYS 17 CO -0.05 -1.06 1.48 0.00 -0.76 0.00 0.00 175.35 174.96 1afp n ALA 18 N -2.00 5.48 0.00 5.17 0.00 -1.26 -4.72 120.51 123.18 1afp n ALA 18 Ca 0.11 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.84 1afp n ALA 18 Cb 0.52 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1afp n ALA 18 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1afp n GLN 19 N -0.77 0.00 0.00 0.00 0.00 -1.26 -3.95 117.38 111.40 1afp n GLN 19 Ca 0.50 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.62 1afp n GLN 19 Cb 0.85 0.00 0.62 0.00 0.00 0.00 0.00 30.24 31.71 1afp n GLN 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1afp n SER 20 N 1.54 0.00 0.00 1.69 7.64 -1.26 -4.83 113.62 118.41 1afp n SER 20 Ca 0.00 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1afp n SER 20 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1afp n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1afp n GLY 21 N 0.52 1.73 0.65 0.23 0.00 -1.25 -4.87 105.19 102.20 1afp n GLY 21 Ca 0.14 0.00 0.45 0.00 0.00 0.00 0.00 46.02 46.61 1afp n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1afp h LYS 22 N 2.86 0.00 -5.88 1.61 1.79 -1.88 -3.42 116.57 111.65 1afp h LYS 22 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1afp h LYS 22 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1afp h LYS 22 CO 0.00 0.00 -0.42 2.41 -1.08 0.00 0.00 179.45 180.36 1afp n THR 23 N -3.83 -3.98 -3.74 -0.16 -1.04 -1.26 -4.84 114.28 95.43 1afp n THR 23 Ca 0.37 0.70 -0.22 0.00 -2.04 0.00 0.00 64.05 62.86 1afp n THR 23 Cb 1.78 -3.52 0.01 0.00 -1.82 0.00 0.00 70.33 66.78 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1afp n ALA 24 N 2.30 0.79 -2.69 2.41 0.00 -0.49 -4.88 120.51 117.95 1afp n ALA 24 Ca -0.10 -1.94 -0.31 0.00 0.00 0.00 0.00 53.44 51.09 1afp n ALA 24 Cb 0.17 0.77 -0.08 0.00 0.00 0.00 0.00 19.45 20.31 1afp n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1afp s ILE 25 N -2.38 4.08 -0.28 0.00 1.01 -1.26 -2.07 121.20 120.30 1afp s ILE 25 Ca 0.31 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1afp s ILE 25 Cb -0.02 -2.90 0.09 0.00 0.01 0.00 0.00 42.46 39.64 1afp s ILE 25 CO 0.19 0.22 0.08 0.00 0.00 0.00 0.00 174.94 175.43 1afp n LYS 27 N 4.95 0.00 -1.51 0.00 2.85 -1.26 0.18 118.16 123.37 1afp n LYS 27 Ca -0.04 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 56.98 1afp n LYS 27 Cb 0.43 -0.99 0.16 0.00 -0.65 0.00 0.00 35.03 33.99 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1afp n TYR 29 N -3.45 0.00 0.00 0.00 9.36 -1.26 -4.90 117.16 116.91 1afp n TYR 29 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1afp n TYR 29 Cb 0.46 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.17 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 -0.03 0.00 -3.78 2.97 0.31 -1.26 -4.22 118.33 112.32 1afp n VAL 30 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1afp n VAL 30 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.00 2.41 1.00 5.55 -0.14 -1.26 -5.08 119.74 122.22 1afp s LYS 31 Ca 0.00 -2.57 -0.20 0.00 -1.36 0.00 0.00 55.97 51.84 1afp s LYS 31 Cb 0.00 -3.62 -0.12 0.00 -1.68 0.00 0.00 37.83 32.41 1afp s LYS 31 CO 0.00 -1.16 -0.80 0.36 -0.76 0.00 0.00 175.35 172.99 1afp n LYS 32 N 3.36 -0.18 -1.73 1.68 0.00 -1.26 -4.63 118.16 115.40 1afp n LYS 32 Ca 0.07 -0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 57.92 1afp n LYS 32 Cb 0.36 -1.18 -0.01 0.00 -0.00 0.00 0.00 35.03 34.20 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1afp h PRO 34 N 4.17 0.32 0.00 0.00 0.13 -1.91 -3.39 132.00 131.32 1afp h PRO 34 Ca -0.47 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1afp h PRO 34 Cb 1.24 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1afp h PRO 34 CO 0.74 0.99 0.00 2.89 -0.23 0.00 0.00 178.00 182.39 1afp n ARG 35 N -3.75 0.00 -1.46 0.86 1.85 -1.26 -4.86 116.66 108.04 1afp n ARG 35 Ca -0.05 0.00 -0.54 0.00 -1.00 0.00 0.00 57.85 56.26 1afp n ARG 35 Cb 0.77 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.12 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 -0.48 0.00 2.89 2.03 -1.25 0.59 116.55 120.32 1afp n ASP 36 Ca 0.00 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1afp n ASP 36 Cb 0.00 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 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 1.73 3.03 3.71 0.27 0.00 -0.07 -4.97 105.19 108.89 1afp n GLY 37 Ca 0.19 0.00 -0.67 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 -0.48 -1.70 -1.77 4.61 0.00 0.20 -4.32 120.51 117.05 1afp n ALA 38 Ca 0.00 0.51 -0.36 0.00 0.00 0.00 0.00 53.44 53.59 1afp n ALA 38 Cb 0.00 -1.90 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 2.56 3.57 0.18 0.00 2.20 -1.26 0.15 119.74 127.14 1afp s LYS 39 Ca 1.03 1.74 -0.23 0.00 -0.36 0.00 0.00 55.97 58.15 1afp s LYS 39 Cb -1.47 -2.25 0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1afp s LYS 39 CO 0.78 -0.70 0.62 0.00 -0.36 0.00 0.00 175.35 175.69 1afp s GLU 41 N -3.78 1.63 -0.50 0.00 1.03 -1.26 0.46 118.70 116.28 1afp s GLU 41 Ca 0.03 -0.44 -0.19 0.00 0.03 0.00 0.00 54.97 54.40 1afp s GLU 41 Cb -0.02 -1.37 0.06 0.00 -0.80 0.00 0.00 34.13 31.99 1afp s GLU 41 CO -0.09 0.08 0.64 0.12 -1.33 0.00 0.00 175.26 174.67 1afp s PHE 42 N 0.49 3.04 -0.07 4.83 5.36 0.48 -2.79 117.98 129.32 1afp s PHE 42 Ca -0.11 -0.50 -0.30 0.00 -0.96 0.00 0.00 56.93 55.06 1afp s PHE 42 Cb -0.14 -3.54 -0.05 0.00 -0.34 0.00 0.00 43.02 38.94 1afp s PHE 42 CO 0.03 -1.03 1.66 0.16 -1.46 0.00 0.00 175.22 174.58 1afp s ASP 43 N 2.66 6.62 0.00 6.13 1.47 -1.25 -2.18 116.67 130.13 1afp s ASP 43 Ca 0.16 2.17 0.24 0.00 1.18 0.00 0.00 52.55 56.30 1afp s ASP 43 Cb -0.19 -2.53 1.38 0.00 -0.34 0.00 0.00 42.92 41.24 1afp s ASP 43 CO 0.12 -0.97 1.89 -1.54 0.68 0.00 0.00 175.17 175.35 1afp n SER 44 N 7.32 0.10 0.03 2.11 3.41 -1.26 -1.21 113.62 124.13 1afp n SER 44 Ca 0.18 -1.28 -0.15 0.00 -0.26 0.00 0.00 58.87 57.35 1afp n SER 44 Cb 0.43 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1afp n SER 44 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1afp h TYR 45 N 0.14 0.83 0.00 7.33 0.05 -1.91 -3.42 116.97 119.99 1afp h TYR 45 Ca 0.00 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1afp h TYR 45 Cb 0.03 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1afp h TYR 45 CO 0.00 1.22 -0.49 1.63 -1.05 0.00 0.00 178.16 179.47 1afp n LYS 46 N -3.84 0.00 0.00 4.88 5.02 -1.21 -5.07 118.16 117.93 1afp n LYS 46 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1afp n LYS 46 Cb 0.79 -0.26 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 2.29 1.48 0.89 0.72 0.00 -0.35 -5.10 105.19 105.12 1afp n GLY 47 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.04 0.57 -3.79 1.61 5.02 -1.25 -4.95 118.16 115.35 1afp n LYS 48 Ca 0.00 -0.64 -0.29 0.00 -2.02 0.00 0.00 58.31 55.35 1afp n LYS 48 Cb 0.00 -0.13 -0.15 0.00 -0.02 0.00 0.00 35.03 34.73 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 4.84 0.65 0.00 0.00 4.01 -1.12 -4.44 117.16 121.10 1afp n TYR 50 Ca -0.05 -1.59 0.00 0.00 -0.16 0.00 0.00 57.90 56.09 1afp n TYR 50 Cb 0.44 -1.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.22 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40