#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iju h HIS 2 N 0.00 0.12 0.21 2.11 -0.00 -1.94 0.11 115.15 115.75 1iju h HIS 2 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1iju h HIS 2 Cb 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1iju h HIS 2 CO 0.00 -0.01 -0.18 -0.92 -0.00 0.00 0.00 177.93 176.82 1iju h TYR 3 N 0.20 -0.47 -0.43 5.26 3.20 -1.99 -1.38 116.97 121.36 1iju h TYR 3 Ca 0.21 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1iju h TYR 3 Cb 0.27 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1iju h TYR 3 CO -0.22 -0.27 0.02 -0.97 -1.64 0.00 0.00 178.16 175.07 1iju h ASN 4 N -0.41 0.66 0.38 -2.11 -1.24 -1.91 -0.10 115.58 110.85 1iju h ASN 4 Ca -0.01 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.85 1iju h ASN 4 Cb 0.37 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 1iju h ASN 4 CO -0.03 0.71 -0.22 0.00 -1.29 0.00 0.00 177.43 176.61 1iju h VAL 6 N -0.57 1.28 -0.26 0.00 2.07 -1.14 0.19 116.25 117.83 1iju h VAL 6 Ca -0.04 -1.60 0.07 0.00 0.82 0.00 0.00 66.70 65.94 1iju h VAL 6 Cb 0.46 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1iju h VAL 6 CO 0.05 0.52 0.18 0.28 0.02 0.00 0.00 177.57 178.63 1iju h SER 7 N 0.64 0.02 0.59 0.57 0.02 -0.88 -1.71 113.55 112.80 1iju h SER 7 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1iju h SER 7 Cb 0.99 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1iju h SER 7 CO 0.09 0.01 -0.61 -1.20 -1.14 0.00 0.00 176.83 173.99 1iju n SER 8 N -4.47 0.57 0.00 3.07 7.64 -1.04 -4.93 113.62 114.46 1iju n SER 8 Ca 0.03 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1iju n SER 8 Cb 0.32 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1iju n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iju n GLY 9 N 1.44 1.00 3.97 0.23 0.00 -0.64 -5.12 105.19 106.07 1iju n GLY 9 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1iju n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iju s GLY 10 N -0.09 1.80 0.03 -0.02 0.00 0.04 -4.88 107.32 104.20 1iju s GLY 10 Ca 0.00 -1.31 0.09 0.00 0.00 0.00 0.00 44.72 43.49 1iju s GLY 10 CO 0.00 -0.97 -0.25 1.20 0.00 0.00 0.00 173.10 173.08 1iju s GLN 11 N -4.90 1.74 -0.31 2.90 -0.21 -0.29 -4.00 119.66 114.59 1iju s GLN 11 Ca 0.59 -1.03 -0.19 0.00 0.02 0.00 0.00 55.36 54.75 1iju s GLN 11 Cb -0.10 -1.86 -0.01 0.00 1.00 0.00 0.00 33.01 32.04 1iju s GLN 11 CO 0.40 0.48 0.57 0.00 -2.12 0.00 0.00 175.29 174.63 1iju s LEU 13 N 2.49 1.62 0.10 0.00 1.43 -0.33 -4.93 118.68 119.06 1iju s LEU 13 Ca 0.23 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1iju s LEU 13 Cb -0.15 -0.30 -0.16 0.00 0.03 0.00 0.00 46.19 45.62 1iju s LEU 13 CO 0.12 -0.01 1.27 1.88 0.23 0.00 0.00 176.35 179.84 1iju h TYR 14 N 6.63 0.95 -0.23 0.29 -1.99 -1.87 0.78 116.97 121.52 1iju h TYR 14 Ca -0.34 -0.47 0.00 0.00 2.00 0.00 0.00 58.73 59.91 1iju h TYR 14 Cb 1.17 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.77 1iju h TYR 14 CO 0.46 1.30 0.00 0.43 -0.00 0.00 0.00 178.16 180.34 1iju n SER 15 N -3.87 0.00 -4.96 3.88 7.64 -1.26 -4.76 113.62 110.29 1iju n SER 15 Ca -0.08 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.57 1iju n SER 15 Cb 0.81 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.00 1iju n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iju s ALA 16 N -3.75 3.82 0.08 -0.43 0.00 -1.26 -4.72 121.76 115.50 1iju s ALA 16 Ca 0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.58 1iju s ALA 16 Cb 0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 1iju s ALA 16 CO 0.00 0.04 1.78 0.00 0.00 0.00 0.00 175.76 177.58 1iju n PRO 18 N 6.03 -2.52 -1.78 0.00 -0.04 -1.26 -4.83 135.00 130.60 1iju n PRO 18 Ca 0.17 -1.15 -0.42 0.00 -0.04 0.00 0.00 63.50 62.06 1iju n PRO 18 Cb 0.40 -1.10 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1iju n PRO 18 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1iju s ILE 19 N -2.29 2.13 0.00 0.52 2.07 -1.26 -1.61 121.20 120.76 1iju s ILE 19 Ca 0.47 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.81 1iju s ILE 19 Cb -0.05 -3.06 0.00 0.00 0.13 0.00 0.00 42.46 39.48 1iju s ILE 19 CO 0.36 0.01 0.00 0.49 -1.91 0.00 0.00 174.94 173.89 1iju n PHE 20 N 3.28 0.00 -4.51 3.50 0.99 -1.26 -5.03 117.46 114.44 1iju n PHE 20 Ca 0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.33 1iju n PHE 20 Cb 0.37 -0.06 -0.10 0.00 -1.00 0.00 0.00 39.48 38.68 1iju n PHE 20 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1iju s THR 21 N -3.46 2.05 0.07 4.37 -4.23 -0.63 -4.96 115.64 108.85 1iju s THR 21 Ca 0.00 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.33 1iju s THR 21 Cb 0.00 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1iju s THR 21 CO 0.00 -0.24 -0.05 -1.59 -0.54 0.00 0.00 174.62 172.20 1iju s LYS 22 N -3.65 0.69 0.05 3.99 -2.85 -0.14 -4.63 119.74 113.20 1iju s LYS 22 Ca 0.31 -1.20 -0.31 0.00 -1.00 0.00 0.00 55.97 53.78 1iju s LYS 22 Cb 0.03 -0.03 -0.07 0.00 -2.06 0.00 0.00 37.83 35.70 1iju s LYS 22 CO 0.15 -0.05 1.46 -1.50 0.10 0.00 0.00 175.35 175.51 1iju s ILE 23 N -3.42 3.42 -0.28 3.79 2.07 -1.26 -2.34 121.20 123.18 1iju s ILE 23 Ca 0.06 0.90 0.16 0.00 -1.41 0.00 0.00 60.65 60.36 1iju s ILE 23 Cb 0.04 -3.58 0.49 0.00 0.13 0.00 0.00 42.46 39.54 1iju s ILE 23 CO -0.06 0.02 1.14 0.00 -1.91 0.00 0.00 174.94 174.12 1iju n GLN 24 N 5.01 2.50 0.00 3.50 1.13 0.16 -4.98 117.38 124.70 1iju n GLN 24 Ca 0.13 -3.79 0.00 0.00 -1.94 0.00 0.00 57.00 51.41 1iju n GLN 24 Cb 0.42 -1.88 0.00 0.00 0.11 0.00 0.00 30.24 28.90 1iju n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1iju n GLY 25 N -0.62 0.40 3.31 1.08 0.00 -1.25 -4.84 105.19 103.26 1iju n GLY 25 Ca 0.22 -2.24 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 1iju n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iju s THR 26 N -0.35 0.56 0.21 2.61 -4.23 -1.26 -1.25 115.64 111.93 1iju s THR 26 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1iju s THR 26 Cb 0.00 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1iju s THR 26 CO 0.00 -0.01 0.12 0.00 -0.54 0.00 0.00 174.62 174.19 1iju n TYR 28 N -0.31 -2.04 -3.55 0.00 0.53 -1.26 -1.47 117.16 109.06 1iju n TYR 28 Ca 0.01 0.74 -0.25 0.00 -1.02 0.00 0.00 57.90 57.39 1iju n TYR 28 Cb 0.66 -4.11 0.06 0.00 -1.03 0.00 0.00 39.34 34.92 1iju n TYR 28 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1iju n ARG 29 N -4.01 -6.99 -0.97 -0.72 5.12 -1.26 -1.89 116.66 105.94 1iju n ARG 29 Ca -0.19 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.52 1iju n ARG 29 Cb 0.64 -5.79 0.00 0.00 -1.16 0.00 0.00 32.46 26.15 1iju n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iju n GLY 30 N -1.87 0.70 0.11 -0.13 0.00 -1.01 -4.90 105.19 98.09 1iju n GLY 30 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1iju n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iju h LYS 31 N 1.91 0.00 -5.58 1.61 1.79 -1.00 -3.46 116.57 111.84 1iju h LYS 31 Ca 0.00 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.00 1iju h LYS 31 Cb 0.05 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.55 1iju h LYS 31 CO 0.00 0.00 -0.72 0.00 -1.08 0.00 0.00 179.45 177.65 1iju s ALA 32 N -3.15 2.14 0.03 3.86 0.00 -0.54 -4.81 121.76 119.29 1iju s ALA 32 Ca 0.08 -1.74 -0.10 0.00 0.00 0.00 0.00 51.96 50.20 1iju s ALA 32 Cb 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1iju s ALA 32 CO 0.66 0.04 0.36 0.15 0.00 0.00 0.00 175.76 176.96 1iju s LYS 33 N -3.66 3.73 -0.40 0.00 1.02 0.27 -0.82 119.74 119.87 1iju s LYS 33 Ca 0.25 0.15 -0.21 0.00 0.02 0.00 0.00 55.97 56.17 1iju s LYS 33 Cb 0.00 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1iju s LYS 33 CO 0.09 0.62 0.69 0.00 -0.92 0.00 0.00 175.35 175.83