#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 0.98 -0.16 2.11 -0.00 -1.92 -0.64 115.15 115.52 1iju h HIS 2 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1iju h HIS 2 Cb 0.00 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.07 1iju h HIS 2 CO 0.00 0.61 0.09 -0.92 -0.00 0.00 0.00 177.93 177.71 1iju h TYR 3 N 1.05 0.21 -0.06 5.26 3.20 -1.99 -1.13 116.97 123.51 1iju h TYR 3 Ca 0.29 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 62.01 1iju h TYR 3 Cb -0.10 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1iju h TYR 3 CO -0.02 0.19 -0.66 -0.91 -1.64 0.00 0.00 178.16 175.12 1iju h ASN 4 N 0.18 0.30 0.71 -2.11 2.35 -1.94 -0.10 115.58 114.96 1iju h ASN 4 Ca 0.06 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1iju h ASN 4 Cb 0.04 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1iju h ASN 4 CO -0.01 0.87 -0.47 0.00 -1.65 0.00 0.00 177.43 176.16 1iju h VAL 6 N -1.12 1.27 -0.42 0.00 2.07 -1.19 0.25 116.25 117.10 1iju h VAL 6 Ca -0.09 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.27 1iju h VAL 6 Cb 0.91 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1iju h VAL 6 CO 0.07 0.43 0.18 0.28 0.02 0.00 0.00 177.57 178.54 1iju h SER 7 N 0.94 0.22 -0.08 0.57 0.02 -0.94 -2.05 113.55 112.24 1iju h SER 7 Ca 0.16 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1iju h SER 7 Cb 0.61 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 1iju h SER 7 CO 0.04 0.17 0.13 0.28 -1.14 0.00 0.00 176.83 176.30 1iju h SER 8 N 0.36 0.00 0.00 3.07 0.02 -0.72 -3.45 113.55 112.83 1iju h SER 8 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1iju h SER 8 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1iju h SER 8 CO -0.17 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.13 1iju n GLY 9 N -1.29 1.02 4.01 -3.77 0.00 -0.77 -5.08 105.19 99.31 1iju n GLY 9 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1iju n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iju n GLY 10 N -1.95 1.65 3.09 -0.02 0.00 0.85 -4.86 105.19 103.93 1iju n GLY 10 Ca 0.00 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 1iju n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iju s GLN 11 N -4.82 1.96 -0.20 1.61 0.74 -0.44 -4.02 119.66 114.49 1iju s GLN 11 Ca 0.64 -0.55 -0.23 0.00 0.05 0.00 0.00 55.36 55.27 1iju s GLN 11 Cb -0.05 -1.60 -0.02 0.00 1.10 0.00 0.00 33.01 32.45 1iju s GLN 11 CO 0.41 0.11 0.74 0.00 -0.55 0.00 0.00 175.29 176.00 1iju s LEU 13 N 2.21 2.06 0.01 0.00 1.43 0.08 -4.94 118.68 119.54 1iju s LEU 13 Ca 0.33 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1iju s LEU 13 Cb -0.16 0.02 -0.23 0.00 0.03 0.00 0.00 46.19 45.85 1iju s LEU 13 CO 0.10 -0.07 0.88 1.88 0.23 0.00 0.00 176.35 179.37 1iju h TYR 14 N 5.78 0.06 -3.63 0.29 -1.99 -1.88 0.63 116.97 116.23 1iju h TYR 14 Ca -0.26 -0.04 -0.42 0.00 2.00 0.00 0.00 58.73 60.01 1iju h TYR 14 Cb 1.21 -0.00 0.19 0.00 2.00 0.00 0.00 36.73 40.13 1iju h TYR 14 CO 0.47 1.06 0.26 -1.54 -0.00 0.00 0.00 178.16 178.41 1iju s SER 15 N -6.41 1.53 0.61 3.88 1.04 -1.26 -4.80 113.70 108.29 1iju s SER 15 Ca -0.04 0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.56 1iju s SER 15 Cb 0.08 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 1iju s SER 15 CO 0.82 -3.72 1.17 0.00 0.98 0.00 0.00 173.24 172.50 1iju s ALA 16 N -3.44 2.51 0.29 5.32 0.00 -1.26 -4.85 121.76 120.34 1iju s ALA 16 Ca 0.74 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 1iju s ALA 16 Cb -0.05 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 1iju s ALA 16 CO 0.55 -1.17 1.53 0.00 0.00 0.00 0.00 175.76 176.66 1iju s PRO 18 N -0.71 1.23 0.26 0.00 0.04 -1.26 -4.87 135.00 129.68 1iju s PRO 18 Ca 0.60 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1iju s PRO 18 Cb -0.46 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.15 1iju s PRO 18 CO 0.49 -2.27 1.29 1.51 0.04 0.00 0.00 177.00 178.05 1iju n ILE 19 N -3.91 1.35 -1.07 0.56 3.06 -1.26 -1.47 119.36 116.62 1iju n ILE 19 Ca 0.07 -0.34 -0.02 0.00 -2.50 0.00 0.00 62.75 59.96 1iju n ILE 19 Cb 0.55 -1.35 -0.01 0.00 0.54 0.00 0.00 39.64 39.37 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 1.22 0.00 -4.15 9.51 3.01 -1.26 -5.04 117.46 120.75 1iju n PHE 20 Ca 0.10 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.46 1iju n PHE 20 Cb 0.32 -0.83 -0.10 0.00 -0.01 0.00 0.00 39.48 38.85 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 -2.09 0.30 0.22 4.37 -4.23 -0.54 -4.98 115.64 108.70 1iju s THR 21 Ca 0.00 -1.90 -0.08 0.00 -1.18 0.00 0.00 61.69 58.54 1iju s THR 21 Cb 0.00 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 1iju s THR 21 CO 0.00 -0.67 0.32 -1.59 -0.54 0.00 0.00 174.62 172.15 1iju s LYS 22 N -3.96 1.39 0.08 3.99 0.00 0.92 -4.71 119.74 117.44 1iju s LYS 22 Ca 0.18 -1.41 -0.31 0.00 0.00 0.00 0.00 55.97 54.43 1iju s LYS 22 Cb 0.07 0.38 -0.07 0.00 0.00 0.00 0.00 37.83 38.22 1iju s LYS 22 CO -0.02 -0.53 1.31 -1.50 0.00 0.00 0.00 175.35 174.61 1iju s ILE 23 N -4.08 3.64 -0.40 3.79 2.07 -1.26 -1.53 121.20 123.43 1iju s ILE 23 Ca 0.29 1.17 0.07 0.00 -1.41 0.00 0.00 60.65 60.77 1iju s ILE 23 Cb 0.03 -3.75 0.23 0.00 0.13 0.00 0.00 42.46 39.10 1iju s ILE 23 CO 0.10 0.08 0.53 0.00 -1.91 0.00 0.00 174.94 173.74 1iju n GLN 24 N 4.06 0.62 0.00 3.50 6.02 0.14 -4.93 117.38 126.79 1iju n GLN 24 Ca 0.11 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.04 1iju n GLN 24 Cb 0.44 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1iju n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iju n GLY 25 N 1.70 -1.73 3.35 1.08 0.00 -1.26 -4.57 105.19 103.77 1iju n GLY 25 Ca 0.21 -2.21 -0.18 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 -0.84 0.85 0.08 2.61 -4.23 -1.26 -0.92 115.64 111.93 1iju s THR 26 Ca 0.00 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1iju s THR 26 Cb 0.00 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1iju s THR 26 CO 0.00 -0.10 -0.01 0.00 -0.54 0.00 0.00 174.62 173.97 1iju n TYR 28 N 0.02 -1.63 -3.78 0.00 0.53 -1.26 -0.76 117.16 110.26 1iju n TYR 28 Ca -0.11 0.57 -0.29 0.00 -1.02 0.00 0.00 57.90 57.06 1iju n TYR 28 Cb 0.62 -3.54 0.03 0.00 -1.03 0.00 0.00 39.34 35.41 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 -2.56 -5.64 -0.62 -0.72 5.12 -1.26 -1.78 116.66 109.19 1iju n ARG 29 Ca -0.04 0.64 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 1iju n ARG 29 Cb 0.57 -5.54 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 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 -1.69 1.52 0.01 -0.13 0.00 -1.13 -4.89 105.19 98.89 1iju n GLY 30 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 0.09 -4.48 1.61 4.76 -0.74 -4.82 118.16 112.58 1iju n LYS 31 Ca 0.00 0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.22 1iju n LYS 31 Cb 0.00 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 31.55 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 -3.06 2.60 0.07 7.82 0.00 0.06 -4.85 121.76 124.41 1iju s ALA 32 Ca 0.09 -2.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.00 1iju s ALA 32 Cb 0.16 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 1iju s ALA 32 CO 0.74 -0.05 0.29 0.15 0.00 0.00 0.00 175.76 176.90 1iju s LYS 33 N -3.70 3.56 -0.35 0.00 1.02 0.22 -1.03 119.74 119.45 1iju s LYS 33 Ca 0.31 -0.18 -0.15 0.00 0.02 0.00 0.00 55.97 55.97 1iju s LYS 33 Cb 0.04 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1iju s LYS 33 CO 0.14 0.57 0.35 0.00 -0.92 0.00 0.00 175.35 175.49