#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 0.57 0.36 2.11 -0.00 -1.92 0.63 115.15 116.90 1iju h HIS 2 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1iju h HIS 2 Cb 0.00 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 1iju h HIS 2 CO 0.00 0.26 -0.21 -0.92 -0.00 0.00 0.00 177.93 177.06 1iju h TYR 3 N 0.58 -0.56 -0.69 5.26 3.20 -2.00 -0.78 116.97 122.00 1iju h TYR 3 Ca 0.28 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.16 1iju h TYR 3 Cb 0.20 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 1iju h TYR 3 CO -0.10 -0.33 0.43 -0.97 -1.64 0.00 0.00 178.16 175.55 1iju h ASN 4 N -0.55 0.72 0.27 -2.11 -1.24 -1.90 -0.54 115.58 110.24 1iju h ASN 4 Ca -0.04 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 1iju h ASN 4 Cb 0.45 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 1iju h ASN 4 CO 0.05 0.51 -0.19 0.00 -1.29 0.00 0.00 177.43 176.50 1iju h VAL 6 N -0.46 1.22 -0.73 0.00 2.07 -1.09 0.24 116.25 117.50 1iju h VAL 6 Ca -0.02 -0.57 0.15 0.00 0.82 0.00 0.00 66.70 67.08 1iju h VAL 6 Cb 0.40 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 1iju h VAL 6 CO 0.01 0.24 0.21 0.28 0.02 0.00 0.00 177.57 178.33 1iju h SER 7 N 0.94 0.09 -0.03 0.57 0.02 -0.79 -1.69 113.55 112.65 1iju h SER 7 Ca 0.24 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1iju h SER 7 Cb 0.07 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1iju h SER 7 CO -0.04 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.46 1iju n SER 8 N -5.11 0.65 0.00 3.07 7.64 -0.24 -4.89 113.62 114.74 1iju n SER 8 Ca 0.14 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.67 1iju n SER 8 Cb 0.44 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 1.01 0.48 4.03 0.23 0.00 -0.64 -5.05 105.19 105.25 1iju n GLY 9 Ca 0.19 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.74 1.73 -0.03 -0.02 0.00 0.82 -4.85 107.32 102.24 1iju s GLY 10 Ca 0.00 -2.07 0.04 0.00 0.00 0.00 0.00 44.72 42.69 1iju s GLY 10 CO 0.00 -1.58 -0.16 1.62 0.00 0.00 0.00 173.10 172.97 1iju s GLN 11 N -4.77 1.51 -0.17 2.90 0.74 -0.27 -4.10 119.66 115.49 1iju s GLN 11 Ca 0.63 -0.57 -0.21 0.00 0.05 0.00 0.00 55.36 55.25 1iju s GLN 11 Cb -0.06 -1.38 -0.03 0.00 1.10 0.00 0.00 33.01 32.65 1iju s GLN 11 CO 0.40 0.28 0.65 0.00 -0.55 0.00 0.00 175.29 176.07 1iju s LEU 13 N 1.71 1.99 0.13 0.00 1.43 -0.12 -4.96 118.68 118.86 1iju s LEU 13 Ca 0.30 -0.00 0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1iju s LEU 13 Cb -0.16 0.02 -0.12 0.00 0.03 0.00 0.00 46.19 45.96 1iju s LEU 13 CO 0.11 -0.01 1.16 1.88 0.23 0.00 0.00 176.35 179.73 1iju h TYR 14 N 6.10 0.00 -2.91 0.29 -1.99 -1.88 0.18 116.97 116.76 1iju h TYR 14 Ca -0.24 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.24 1iju h TYR 14 Cb 1.21 0.00 0.11 0.00 2.00 0.00 0.00 36.73 40.05 1iju h TYR 14 CO 0.42 0.79 0.19 -1.13 -0.00 0.00 0.00 178.16 178.42 1iju n SER 15 N -3.19 -0.47 -4.76 3.88 3.41 -1.26 -4.82 113.62 106.41 1iju n SER 15 Ca -0.03 -1.15 -0.39 0.00 -0.26 0.00 0.00 58.87 57.04 1iju n SER 15 Cb 0.88 -0.59 0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1iju n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iju s ALA 16 N -3.68 2.93 0.33 7.33 0.00 -1.26 -4.82 121.76 122.58 1iju s ALA 16 Ca 0.43 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.41 1iju s ALA 16 Cb -0.02 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 1iju s ALA 16 CO 0.31 -1.25 1.50 0.00 0.00 0.00 0.00 175.76 176.32 1iju s PRO 18 N -1.29 1.87 0.17 0.00 0.04 -1.26 -4.88 135.00 129.66 1iju s PRO 18 Ca 0.57 0.64 -0.33 0.00 0.04 0.00 0.00 61.00 61.93 1iju s PRO 18 Cb -0.46 -1.89 -0.16 0.00 0.04 0.00 0.00 34.50 32.03 1iju s PRO 18 CO 0.54 -1.77 1.13 1.51 0.04 0.00 0.00 177.00 178.46 1iju n ILE 19 N -3.53 0.94 -1.15 0.56 3.06 -1.26 -1.43 119.36 116.54 1iju n ILE 19 Ca 0.07 -0.23 -0.05 0.00 -2.50 0.00 0.00 62.75 60.03 1iju n ILE 19 Cb 0.56 -0.80 -0.02 0.00 0.54 0.00 0.00 39.64 39.92 1iju n ILE 19 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1iju n PHE 20 N 1.40 0.00 -4.28 9.51 3.01 -1.26 -5.03 117.46 120.81 1iju n PHE 20 Ca 0.15 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.46 1iju n PHE 20 Cb 0.24 -1.26 -0.10 0.00 -0.01 0.00 0.00 39.48 38.35 1iju n PHE 20 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1iju s THR 21 N -2.16 0.72 0.17 4.37 -4.23 -0.52 -4.98 115.64 109.01 1iju s THR 21 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 1iju s THR 21 Cb 0.00 -2.29 -0.00 0.00 1.34 0.00 0.00 72.50 71.54 1iju s THR 21 CO 0.00 -0.33 0.32 -1.59 -0.54 0.00 0.00 174.62 172.49 1iju s LYS 22 N -3.93 1.18 0.26 3.99 0.00 0.49 -4.74 119.74 116.99 1iju s LYS 22 Ca 0.28 -1.10 -0.30 0.00 0.00 0.00 0.00 55.97 54.85 1iju s LYS 22 Cb 0.06 0.40 -0.09 0.00 0.00 0.00 0.00 37.83 38.20 1iju s LYS 22 CO 0.07 -0.45 1.11 -1.50 0.00 0.00 0.00 175.35 174.59 1iju s ILE 23 N -3.94 3.53 -0.44 3.79 2.07 -1.26 -1.47 121.20 123.47 1iju s ILE 23 Ca 0.15 1.48 0.07 0.00 -1.41 0.00 0.00 60.65 60.93 1iju s ILE 23 Cb 0.03 -3.94 0.23 0.00 0.13 0.00 0.00 42.46 38.91 1iju s ILE 23 CO -0.01 0.33 0.64 1.67 -1.91 0.00 0.00 174.94 175.66 1iju n GLN 24 N 1.49 0.65 0.00 3.50 7.27 0.42 -4.93 117.38 125.78 1iju n GLN 24 Ca 0.00 -2.60 0.00 0.00 0.07 0.00 0.00 57.00 54.47 1iju n GLN 24 Cb 0.45 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.72 1iju n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iju n GLY 25 N 1.82 -1.79 3.36 1.69 0.00 -1.26 -4.59 105.19 104.42 1iju n GLY 25 Ca 0.18 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 0.89 0.09 2.61 -4.23 -1.26 -1.09 115.64 112.65 1iju s THR 26 Ca 0.00 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1iju s THR 26 Cb 0.00 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1iju s THR 26 CO 0.00 -0.09 0.01 0.00 -0.54 0.00 0.00 174.62 174.00 1iju n TYR 28 N -0.00 -2.46 -3.24 0.00 0.53 -1.26 -1.00 117.16 109.73 1iju n TYR 28 Ca -0.10 0.88 -0.23 0.00 -1.02 0.00 0.00 57.90 57.43 1iju n TYR 28 Cb 0.62 -4.00 0.03 0.00 -1.03 0.00 0.00 39.34 34.96 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 -2.70 -4.97 -0.90 -0.72 5.12 -1.26 -1.80 116.66 109.43 1iju n ARG 29 Ca -0.05 0.77 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 1iju n ARG 29 Cb 0.58 -5.63 0.00 0.00 -1.16 0.00 0.00 32.46 26.25 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 -1.51 0.88 0.06 -0.13 0.00 -1.14 -4.90 105.19 98.44 1iju n GLY 30 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1iju n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iju n LYS 31 N -2.15 0.38 -4.50 1.61 4.76 -0.74 -4.83 118.16 112.68 1iju n LYS 31 Ca 0.00 0.04 -0.24 0.00 -2.87 0.00 0.00 58.31 55.23 1iju n LYS 31 Cb 0.00 -1.67 -0.10 0.00 -1.84 0.00 0.00 35.03 31.42 1iju n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iju s ALA 32 N -3.24 2.78 0.14 7.82 0.00 -0.17 -4.84 121.76 124.25 1iju s ALA 32 Ca 0.03 -1.99 -0.07 0.00 0.00 0.00 0.00 51.96 49.93 1iju s ALA 32 Cb 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 1iju s ALA 32 CO 0.78 0.12 0.41 0.15 0.00 0.00 0.00 175.76 177.23 1iju s LYS 33 N -3.60 3.69 -0.31 0.00 1.02 0.63 -1.31 119.74 119.86 1iju s LYS 33 Ca 0.31 0.05 -0.17 0.00 0.02 0.00 0.00 55.97 56.18 1iju s LYS 33 Cb 0.00 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1iju s LYS 33 CO 0.15 0.47 0.46 0.00 -0.92 0.00 0.00 175.35 175.50