#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yug h VAL 2 N 0.00 1.43 -3.97 1.55 2.07 -2.05 -3.45 116.25 111.84 1yug h VAL 2 Ca 0.00 -2.06 -0.52 0.00 0.82 0.00 0.00 66.70 64.94 1yug h VAL 2 Cb 0.00 2.59 0.08 0.00 -1.52 0.00 0.00 31.29 32.44 1yug h VAL 2 CO 0.00 0.60 0.56 -0.44 0.02 0.00 0.00 177.57 178.31 1yug s SER 3 N -6.72 6.15 -0.30 0.57 0.01 -1.26 -5.02 113.70 107.13 1yug s SER 3 Ca -0.13 2.54 -0.06 0.00 1.31 0.00 0.00 55.95 59.61 1yug s SER 3 Cb 0.03 -2.63 0.18 0.00 0.21 0.00 0.00 66.02 63.82 1yug s SER 3 CO 0.82 -0.95 0.79 -1.38 0.41 0.00 0.00 173.24 172.93 1yug s HIS 4 N -1.36 -1.15 -0.33 2.43 0.00 -1.26 -4.59 115.29 109.03 1yug s HIS 4 Ca 0.61 1.18 -0.27 0.00 -3.00 0.00 0.00 55.06 53.58 1yug s HIS 4 Cb -0.35 0.39 0.04 0.00 -4.00 0.00 0.00 32.58 28.66 1yug s HIS 4 CO 0.44 -0.63 0.47 0.34 -1.00 0.00 0.00 174.74 174.36 1yug n PHE 5 N 5.44 -2.11 0.00 0.38 7.35 -1.26 -4.86 117.46 122.40 1yug n PHE 5 Ca -0.03 0.89 0.00 0.00 -0.76 0.00 0.00 57.45 57.55 1yug n PHE 5 Cb 0.52 -1.81 0.00 0.00 0.35 0.00 0.00 39.48 38.55 1yug n PHE 5 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1yug n ASN 6 N 0.21 0.00 -1.78 -2.13 2.85 -1.22 -4.93 115.26 108.26 1yug n ASN 6 Ca -0.05 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.22 1yug n ASN 6 Cb 0.60 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.56 1yug n ASN 6 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1yug n ASP 7 N 0.00 -5.51 -4.64 1.20 2.03 -1.26 -4.82 116.55 103.55 1yug n ASP 7 Ca 0.00 0.33 -0.45 0.00 0.52 0.00 0.00 54.79 55.19 1yug n ASP 7 Cb 0.00 -4.70 -0.02 0.00 -0.72 0.00 0.00 41.12 35.68 1yug n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yug s PRO 9 N -1.09 -1.08 -1.24 0.00 0.04 -1.26 -4.92 135.00 125.46 1yug s PRO 9 Ca 0.63 0.09 -0.08 0.00 0.04 0.00 0.00 61.00 61.68 1yug s PRO 9 Cb -0.68 -1.60 0.20 0.00 0.04 0.00 0.00 34.50 32.46 1yug s PRO 9 CO 0.56 -3.65 1.80 -3.47 0.04 0.00 0.00 177.00 172.28 1yug n ASP 10 N -4.74 5.40 0.00 6.66 2.03 -1.26 -4.55 116.55 120.08 1yug n ASP 10 Ca 0.11 -3.18 0.00 0.00 0.52 0.00 0.00 54.79 52.24 1yug n ASP 10 Cb 0.59 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 1yug n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1yug n SER 11 N 3.27 0.00 0.21 1.67 2.88 -1.26 -4.81 113.62 115.58 1yug n SER 11 Ca 0.37 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.06 1yug n SER 11 Cb 0.35 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.53 1yug n SER 11 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1yug h HIS 12 N 0.00 0.00 0.00 0.66 3.86 -1.91 0.13 115.15 117.89 1yug h HIS 12 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1yug h HIS 12 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1yug h HIS 12 CO 0.00 0.00 0.00 -2.37 0.86 0.00 0.00 177.93 176.42 1yug n THR 13 N -2.58 0.00 -1.00 2.45 5.66 -1.26 -3.43 114.28 114.12 1yug n THR 13 Ca -0.00 0.84 0.08 0.00 -3.05 0.00 0.00 64.05 61.92 1yug n THR 13 Cb 0.15 -1.38 0.27 0.00 -1.55 0.00 0.00 70.33 67.82 1yug n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yug n GLN 14 N -0.67 3.03 -2.50 1.09 10.64 -1.25 -4.72 117.38 123.01 1yug n GLN 14 Ca 0.00 -2.87 -0.03 0.00 -1.83 0.00 0.00 57.00 52.27 1yug n GLN 14 Cb 0.00 -1.87 -0.03 0.00 -0.86 0.00 0.00 30.24 27.48 1yug n GLN 14 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1yug n PHE 15 N -0.45 -3.84 -4.25 2.61 3.72 0.34 -4.87 117.46 110.72 1yug n PHE 15 Ca 0.22 2.06 -0.13 0.00 -0.05 0.00 0.00 57.45 59.55 1yug n PHE 15 Cb 0.91 -3.68 -0.03 0.00 -0.94 0.00 0.00 39.48 35.74 1yug n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yug n PHE 17 N -0.46 0.00 -3.15 0.00 3.01 -1.20 -4.92 117.46 110.74 1yug n PHE 17 Ca -0.04 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.27 1yug n PHE 17 Cb 0.29 0.34 -0.05 0.00 -0.01 0.00 0.00 39.48 40.05 1yug n PHE 17 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1yug s HIS 18 N -1.86 -0.29 -0.04 1.38 2.46 -1.26 -5.09 115.29 110.58 1yug s HIS 18 Ca 0.00 -1.27 -0.30 0.00 0.47 0.00 0.00 55.06 53.96 1yug s HIS 18 Cb 0.00 -0.31 0.11 0.00 -0.13 0.00 0.00 32.58 32.25 1yug s HIS 18 CO 0.00 -1.03 0.97 0.20 -2.47 0.00 0.00 174.74 172.41 1yug s GLY 19 N 0.72 -0.41 0.22 1.59 0.00 -1.26 -3.57 107.32 104.60 1yug s GLY 19 Ca 0.28 1.12 -0.32 0.00 0.00 0.00 0.00 44.72 45.80 1yug s GLY 19 CO -0.10 0.37 1.70 -1.59 0.00 0.00 0.00 173.10 173.48 1yug s THR 20 N -2.95 2.06 0.04 0.90 2.01 0.31 -4.78 115.64 113.24 1yug s THR 20 Ca 0.06 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 1yug s THR 20 Cb -0.01 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 1yug s THR 20 CO -0.07 0.00 0.51 0.00 -0.69 0.00 0.00 174.62 174.37 1yug s ARG 22 N -1.07 0.35 -0.26 0.00 0.52 -0.24 -4.90 118.95 113.35 1yug s ARG 22 Ca 0.27 0.15 -0.03 0.00 -0.52 0.00 0.00 55.73 55.60 1yug s ARG 22 Cb -0.18 0.16 0.10 0.00 0.52 0.00 0.00 34.95 35.55 1yug s ARG 22 CO 0.17 -0.06 0.19 0.12 0.02 0.00 0.00 175.30 175.73 1yug s PHE 23 N -0.28 -0.01 -0.98 -0.53 2.19 -1.26 -2.02 117.98 115.08 1yug s PHE 23 Ca -0.04 -0.44 -0.24 0.00 0.33 0.00 0.00 56.93 56.55 1yug s PHE 23 Cb -0.03 -0.67 -0.06 0.00 -1.31 0.00 0.00 43.02 40.96 1yug s PHE 23 CO 0.01 -0.78 1.95 -0.51 1.83 0.00 0.00 175.22 177.71 1yug s LEU 24 N 2.21 3.13 0.58 6.12 2.01 -0.85 -3.44 118.68 128.45 1yug s LEU 24 Ca 0.08 -0.95 0.28 0.00 0.01 0.00 0.00 54.13 53.55 1yug s LEU 24 Cb -0.15 -2.57 1.69 0.00 0.01 0.00 0.00 46.19 45.17 1yug s LEU 24 CO -0.28 -2.85 2.16 0.58 1.01 0.00 0.00 176.35 176.97 1yug h VAL 25 N 6.96 0.54 -0.97 -1.59 2.07 -1.88 1.08 116.25 122.45 1yug h VAL 25 Ca 0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 1yug h VAL 25 Cb 0.99 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 1yug h VAL 25 CO 1.21 0.00 0.60 1.56 0.02 0.00 0.00 177.57 180.97 1yug h GLN 26 N 0.00 0.94 0.00 1.57 4.20 -1.85 -2.88 115.11 117.10 1yug h GLN 26 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1yug h GLN 26 Cb 0.28 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1yug h GLN 26 CO -0.00 0.62 -0.17 0.39 -0.67 0.00 0.00 178.83 179.01 1yug n GLU 27 N -4.63 0.90 -3.63 1.46 1.02 -0.58 -5.02 120.64 110.15 1yug n GLU 27 Ca 0.18 -1.44 -0.23 0.00 -0.02 0.00 0.00 57.16 55.65 1yug n GLU 27 Cb 0.33 -0.88 0.01 0.00 -0.02 0.00 0.00 31.44 30.89 1yug n GLU 27 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1yug n ASP 28 N -0.50 -5.56 -4.08 1.62 -0.08 0.36 -4.95 116.55 103.36 1yug n ASP 28 Ca 0.05 -0.82 -0.34 0.00 -1.51 0.00 0.00 54.79 52.17 1yug n ASP 28 Cb 0.56 -2.89 -0.13 0.00 2.34 0.00 0.00 41.12 41.00 1yug n ASP 28 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1yug s LYS 29 N -5.02 1.83 0.31 -0.67 1.02 -0.40 -4.94 119.74 111.87 1yug s LYS 29 Ca 0.17 -1.81 -0.29 0.00 0.02 0.00 0.00 55.97 54.05 1yug s LYS 29 Cb -0.07 -3.42 -0.10 0.00 -0.52 0.00 0.00 37.83 33.72 1yug s LYS 29 CO 0.86 -1.00 1.26 -1.25 -0.92 0.00 0.00 175.35 174.30 1yug s PRO 30 N 1.05 4.42 -0.30 -1.68 0.04 -1.26 -2.00 135.00 135.28 1yug s PRO 30 Ca 0.08 2.11 -0.22 0.00 0.04 0.00 0.00 61.00 63.01 1yug s PRO 30 Cb -0.21 -3.10 0.19 0.00 0.04 0.00 0.00 34.50 31.42 1yug s PRO 30 CO -0.06 -0.10 1.37 0.00 0.04 0.00 0.00 177.00 178.26 1yug s ALA 31 N -1.08 -2.34 -0.04 8.56 0.00 -0.86 -4.75 121.76 121.26 1yug s ALA 31 Ca 0.48 1.78 0.03 0.00 0.00 0.00 0.00 51.96 54.25 1yug s ALA 31 Cb -0.38 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1yug s ALA 31 CO 0.49 -0.17 -0.14 0.00 0.00 0.00 0.00 175.76 175.95 1yug s VAL 33 N 0.15 4.33 0.76 0.00 1.01 0.12 -4.85 120.40 121.92 1yug s VAL 33 Ca -0.05 1.71 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 1yug s VAL 33 Cb -0.11 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.22 1yug s VAL 33 CO 0.02 0.41 1.08 0.00 0.00 0.00 0.00 175.10 176.61 1yug n HIS 35 N -3.43 0.00 -2.25 0.00 8.25 -1.23 -4.52 115.22 112.03 1yug n HIS 35 Ca 0.08 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.16 1yug n HIS 35 Cb 0.54 -0.42 0.02 0.00 1.12 0.00 0.00 29.99 31.25 1yug n HIS 35 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1yug n SER 36 N -4.29 6.95 -2.35 0.41 7.64 -1.26 -4.81 113.62 115.91 1yug n SER 36 Ca -0.12 -3.77 -0.10 0.00 1.01 0.00 0.00 58.87 55.88 1yug n SER 36 Cb 0.44 -0.99 -0.01 0.00 -1.01 0.00 0.00 64.21 62.64 1yug n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yug n GLY 37 N -0.38 -0.37 1.85 0.23 0.00 -1.26 -4.91 105.19 100.35 1yug n GLY 37 Ca 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.35 1yug n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yug n TYR 38 N -3.12 -2.78 0.00 1.61 4.01 -1.26 -4.17 117.16 111.45 1yug n TYR 38 Ca -0.12 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 1yug n TYR 38 Cb 0.57 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 1yug n TYR 38 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1yug n VAL 39 N -4.43 0.00 0.00 -0.72 0.31 -0.91 -4.37 118.33 108.21 1yug n VAL 39 Ca 0.07 1.26 0.00 0.00 -0.01 0.00 0.00 64.34 65.66 1yug n VAL 39 Cb 0.31 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1yug n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yug n GLY 40 N -0.99 0.20 0.00 2.92 0.00 -1.26 -4.76 105.19 101.30 1yug n GLY 40 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1yug n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yug n ALA 41 N 0.00 0.00 0.18 4.61 0.00 -1.26 -4.36 120.51 119.68 1yug n ALA 41 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1yug n ALA 41 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1yug n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yug h ARG 42 N 0.00 0.00 -2.51 0.00 3.08 -1.89 -3.42 114.38 109.64 1yug h ARG 42 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1yug h ARG 42 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1yug h ARG 42 CO 0.00 0.20 -0.44 0.00 -1.07 0.00 0.00 179.97 178.66 1yug h GLU 44 N -0.10 0.00 0.00 0.00 4.11 -1.92 -3.36 114.58 113.30 1yug h GLU 44 Ca -0.40 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.85 1yug h GLU 44 Cb 1.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1yug h GLU 44 CO 0.47 0.52 -0.14 1.58 0.07 0.00 0.00 179.01 181.51 1yug n HIS 45 N -3.27 0.24 -4.26 2.06 -0.00 -1.26 -5.02 115.22 103.71 1yug n HIS 45 Ca 0.02 -0.73 -0.33 0.00 0.46 0.00 0.00 57.72 57.14 1yug n HIS 45 Cb 0.72 -0.06 -0.16 0.00 -0.12 0.00 0.00 29.99 30.37 1yug n HIS 45 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1yug s ALA 46 N -2.27 2.37 0.78 1.57 0.00 -1.26 -2.14 121.76 120.80 1yug s ALA 46 Ca 0.02 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 1yug s ALA 46 Cb 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.94 1yug s ALA 46 CO 0.01 -0.26 0.71 -0.40 0.00 0.00 0.00 175.76 175.82 1yug n ASP 47 N 4.47 -0.66 -4.62 0.00 5.75 -1.26 -4.75 116.55 115.47 1yug n ASP 47 Ca -0.20 0.56 -0.43 0.00 -0.01 0.00 0.00 54.79 54.70 1yug n ASP 47 Cb 0.51 -1.30 -0.02 0.00 -1.03 0.00 0.00 41.12 39.27 1yug n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1yug s LEU 48 N -1.88 3.82 -0.45 -2.12 2.01 -1.26 -4.89 118.68 113.91 1yug s LEU 48 Ca 0.67 0.87 0.07 0.00 0.01 0.00 0.00 54.13 55.75 1yug s LEU 48 Cb -0.31 -3.55 0.26 0.00 0.01 0.00 0.00 46.19 42.60 1yug s LEU 48 CO 0.57 -1.04 0.79 -0.11 1.01 0.00 0.00 176.35 177.58 1yug n LEU 49 N 7.31 -1.61 0.00 1.79 7.94 -1.26 -5.21 117.00 125.97 1yug n LEU 49 Ca 0.12 -3.91 0.00 0.00 -1.11 0.00 0.00 56.01 51.11 1yug n LEU 49 Cb 0.48 0.78 0.00 0.00 0.53 0.00 0.00 43.42 45.21 1yug n LEU 49 CO 0.64 2.05 0.00 0.00 -1.11 0.00 0.00 177.39 178.97