#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yug s VAL 2 N 0.00 5.03 0.32 2.52 1.01 -1.26 -5.03 120.40 122.99 1yug s VAL 2 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 1yug s VAL 2 Cb 0.00 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 1yug s VAL 2 CO 0.00 0.44 1.57 -1.20 0.00 0.00 0.00 175.10 175.90 1yug n SER 3 N 1.37 3.86 -3.78 3.32 7.64 -1.26 -5.00 113.62 119.77 1yug n SER 3 Ca -0.11 1.17 -0.10 0.00 1.01 0.00 0.00 58.87 60.84 1yug n SER 3 Cb 0.52 -1.60 -0.07 0.00 -1.01 0.00 0.00 64.21 62.05 1yug n SER 3 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1yug s HIS 4 N -0.34 -0.01 -0.78 1.43 0.00 -1.26 -4.97 115.29 109.35 1yug s HIS 4 Ca 0.61 -0.26 -0.01 0.00 -3.00 0.00 0.00 55.06 52.40 1yug s HIS 4 Cb -0.49 0.05 0.00 0.00 -4.00 0.00 0.00 32.58 28.14 1yug s HIS 4 CO 0.53 -0.53 0.64 0.34 -1.00 0.00 0.00 174.74 174.72 1yug n PHE 5 N 0.28 -2.41 -1.25 0.38 7.35 -1.25 -4.90 117.46 115.67 1yug n PHE 5 Ca -0.17 0.96 0.00 0.00 -0.76 0.00 0.00 57.45 57.48 1yug n PHE 5 Cb 0.61 -3.23 0.00 0.00 0.35 0.00 0.00 39.48 37.21 1yug n PHE 5 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1yug n ASN 6 N -2.24 0.00 -0.48 -2.13 3.02 -1.25 -4.94 115.26 107.24 1yug n ASN 6 Ca -0.20 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.38 1yug n ASN 6 Cb 0.62 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.89 1yug n ASN 6 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1yug n ASP 7 N 0.00 1.33 -2.08 6.41 2.03 -1.26 -4.21 116.55 118.78 1yug n ASP 7 Ca 0.00 -2.05 -0.02 0.00 0.52 0.00 0.00 54.79 53.24 1yug n ASP 7 Cb 0.00 -0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.16 1yug n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yug n PRO 9 N 1.20 -2.43 -0.03 0.00 -0.04 -1.26 -4.88 135.00 127.55 1yug n PRO 9 Ca -0.15 -1.01 -0.06 0.00 -0.04 0.00 0.00 63.50 62.24 1yug n PRO 9 Cb 0.23 -0.98 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 1yug n PRO 9 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1yug h ASP 10 N -2.13 -0.80 0.00 3.54 5.19 -2.04 -3.39 116.42 116.79 1yug h ASP 10 Ca -0.24 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1yug h ASP 10 Cb 0.74 0.32 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1yug h ASP 10 CO 0.16 -0.20 0.00 -1.54 -3.12 0.00 0.00 179.24 174.54 1yug n SER 11 N -3.86 0.00 -4.49 6.45 3.41 -1.26 -2.75 113.62 111.11 1yug n SER 11 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 1yug n SER 11 Cb 0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1yug n SER 11 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1yug s HIS 12 N 0.00 2.77 0.75 7.33 3.76 -1.26 -5.00 115.29 123.64 1yug s HIS 12 Ca 0.00 -0.91 -0.05 0.00 -0.15 0.00 0.00 55.06 53.95 1yug s HIS 12 Cb 0.00 -4.44 0.12 0.00 1.11 0.00 0.00 32.58 29.37 1yug s HIS 12 CO 0.00 -1.71 1.04 0.95 -0.85 0.00 0.00 174.74 174.17 1yug s THR 13 N 3.94 2.19 -1.27 1.30 -4.23 -1.11 -4.12 115.64 112.34 1yug s THR 13 Ca 0.34 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1yug s THR 13 Cb -0.06 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1yug s THR 13 CO -0.03 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.05 1yug n GLN 14 N -2.99 -1.79 -0.00 3.99 6.02 -1.26 -4.77 117.38 116.57 1yug n GLN 14 Ca 0.13 0.71 0.09 0.00 -0.01 0.00 0.00 57.00 57.92 1yug n GLN 14 Cb 0.60 -5.17 -0.11 0.00 1.02 0.00 0.00 30.24 26.58 1yug n GLN 14 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1yug n PHE 15 N -2.81 0.00 -3.66 1.08 -0.00 -1.26 -4.87 117.46 105.94 1yug n PHE 15 Ca -0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.18 1yug n PHE 15 Cb 0.55 -0.10 -0.12 0.00 -0.00 0.00 0.00 39.48 39.81 1yug n PHE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yug h PHE 17 N 8.26 0.00 -0.84 0.00 3.57 -1.89 -3.43 116.94 122.60 1yug h PHE 17 Ca -0.14 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.36 1yug h PHE 17 Cb 1.11 0.00 -0.19 0.00 2.79 0.00 0.00 35.95 39.66 1yug h PHE 17 CO 0.35 0.72 -0.35 -1.58 -2.23 0.00 0.00 178.31 175.21 1yug s HIS 18 N -2.83 -1.50 -4.14 0.41 2.46 -1.26 -5.08 115.29 103.34 1yug s HIS 18 Ca -0.00 0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.99 1yug s HIS 18 Cb 0.09 0.27 0.00 0.00 -0.13 0.00 0.00 32.58 32.80 1yug s HIS 18 CO 0.80 -0.96 0.00 0.41 -2.47 0.00 0.00 174.74 172.51 1yug n GLY 19 N 4.64 -2.28 3.93 1.59 0.00 -1.26 -4.12 105.19 107.69 1yug n GLY 19 Ca 0.09 -1.24 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 1yug n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yug s THR 20 N -2.28 2.05 0.01 2.61 -4.23 0.45 -4.90 115.64 109.35 1yug s THR 20 Ca 0.00 -0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1yug s THR 20 Cb 0.00 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 1yug s THR 20 CO 0.00 0.00 -0.01 0.00 -0.54 0.00 0.00 174.62 174.07 1yug s ARG 22 N -0.55 0.53 -0.25 0.00 0.52 -0.31 -4.06 118.95 114.84 1yug s ARG 22 Ca -0.06 -0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 54.64 1yug s ARG 22 Cb -0.04 0.22 0.13 0.00 0.52 0.00 0.00 34.95 35.78 1yug s ARG 22 CO -0.00 -0.13 0.33 0.12 0.02 0.00 0.00 175.30 175.63 1yug s PHE 23 N -1.75 -0.64 -0.77 -0.53 2.19 -1.26 -1.36 117.98 113.86 1yug s PHE 23 Ca -0.12 0.41 -0.26 0.00 0.33 0.00 0.00 56.93 57.29 1yug s PHE 23 Cb -0.06 -0.20 -0.01 0.00 -1.31 0.00 0.00 43.02 41.44 1yug s PHE 23 CO -0.00 -0.77 1.75 -1.17 1.83 0.00 0.00 175.22 176.86 1yug s LEU 24 N 2.45 3.26 0.56 6.12 2.96 -0.77 -3.74 118.68 129.52 1yug s LEU 24 Ca 0.10 -0.31 0.31 0.00 -0.22 0.00 0.00 54.13 54.01 1yug s LEU 24 Cb -0.15 -2.55 1.64 0.00 0.50 0.00 0.00 46.19 45.63 1yug s LEU 24 CO -0.20 -2.31 2.13 0.58 -1.32 0.00 0.00 176.35 175.24 1yug h VAL 25 N 6.86 0.43 -0.92 1.68 2.07 -1.90 0.52 116.25 124.99 1yug h VAL 25 Ca -0.10 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.14 1yug h VAL 25 Cb 1.08 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 1yug h VAL 25 CO 1.25 0.07 0.56 1.56 0.02 0.00 0.00 177.57 181.04 1yug h GLN 26 N 0.00 0.92 0.00 1.57 4.20 -1.95 -2.63 115.11 117.22 1yug h GLN 26 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1yug h GLN 26 Cb 0.25 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1yug h GLN 26 CO 0.01 0.61 0.00 0.39 -0.67 0.00 0.00 178.83 179.17 1yug n GLU 27 N -4.64 2.40 -3.97 1.46 1.02 -0.91 -4.98 120.64 111.01 1yug n GLU 27 Ca 0.15 -1.33 -0.31 0.00 -0.02 0.00 0.00 57.16 55.66 1yug n GLU 27 Cb 0.27 -0.96 0.01 0.00 -0.02 0.00 0.00 31.44 30.74 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 -0.42 -4.09 -4.44 1.62 2.03 0.17 -4.93 116.55 106.50 1yug n ASP 28 Ca 0.00 -0.84 -0.40 0.00 0.52 0.00 0.00 54.79 54.06 1yug n ASP 28 Cb 0.24 -3.61 -0.11 0.00 -0.72 0.00 0.00 41.12 36.92 1yug n ASP 28 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1yug s LYS 29 N -6.65 3.13 0.53 -0.67 1.02 -0.39 -4.96 119.74 111.75 1yug s LYS 29 Ca 0.62 -0.88 -0.20 0.00 0.02 0.00 0.00 55.97 55.53 1yug s LYS 29 Cb -0.32 -3.74 -0.06 0.00 -0.52 0.00 0.00 37.83 33.19 1yug s LYS 29 CO 0.85 -0.58 1.16 -1.25 -0.92 0.00 0.00 175.35 174.61 1yug s PRO 30 N 1.63 3.38 -0.29 -1.68 0.04 -1.26 -1.84 135.00 134.97 1yug s PRO 30 Ca 0.04 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1yug s PRO 30 Cb -0.18 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.46 1yug s PRO 30 CO 0.08 -0.84 0.71 0.00 0.04 0.00 0.00 177.00 176.98 1yug s ALA 31 N -1.68 -2.74 0.01 8.56 0.00 -0.46 -4.92 121.76 120.52 1yug s ALA 31 Ca 0.71 1.31 -0.08 0.00 0.00 0.00 0.00 51.96 53.90 1yug s ALA 31 Cb -0.26 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1yug s ALA 31 CO 0.30 -1.74 0.29 0.00 0.00 0.00 0.00 175.76 174.61 1yug s VAL 33 N -1.27 4.35 -0.38 0.00 1.01 -0.25 -4.91 120.40 118.95 1yug s VAL 33 Ca 0.27 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1yug s VAL 33 Cb -0.14 -3.50 0.67 0.00 0.00 0.00 0.00 36.38 33.41 1yug s VAL 33 CO 0.15 -0.31 1.80 0.00 0.00 0.00 0.00 175.10 176.74 1yug n HIS 35 N -0.54 -2.97 -1.49 0.00 8.25 -1.26 -4.67 115.22 112.55 1yug n HIS 35 Ca 0.47 1.26 -0.45 0.00 -0.26 0.00 0.00 57.72 58.74 1yug n HIS 35 Cb 1.46 -3.18 -0.01 0.00 1.12 0.00 0.00 29.99 29.37 1yug n HIS 35 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yug n SER 36 N 0.36 -0.15 0.00 0.41 2.88 -1.26 -3.85 113.62 112.01 1yug n SER 36 Ca 0.02 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1yug n SER 36 Cb 0.34 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1yug n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1yug n GLY 37 N 1.63 1.23 3.94 0.46 0.00 -1.26 -5.13 105.19 106.06 1yug n GLY 37 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1yug n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yug s TYR 38 N -0.90 2.94 -0.20 1.61 1.51 -1.25 -4.24 117.35 116.81 1yug s TYR 38 Ca 0.00 0.35 -0.10 0.00 -1.01 0.00 0.00 57.07 56.31 1yug s TYR 38 Cb 0.00 -3.03 -0.09 0.00 -0.11 0.00 0.00 41.96 38.73 1yug s TYR 38 CO 0.00 -1.21 -0.26 0.28 -1.11 0.00 0.00 175.55 173.25 1yug n VAL 39 N -2.74 1.11 -0.93 0.71 0.31 -0.92 -4.86 118.33 111.01 1yug n VAL 39 Ca 0.08 -0.29 -0.34 0.00 -0.01 0.00 0.00 64.34 63.78 1yug n VAL 39 Cb 0.60 -1.77 0.09 0.00 -0.91 0.00 0.00 33.84 31.86 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 1.74 -2.39 0.30 2.92 0.00 -1.08 -4.82 105.19 101.86 1yug n GLY 40 Ca -0.40 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 1yug n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yug h ALA 41 N -1.19 0.32 -1.88 4.61 0.00 -1.95 -3.37 119.26 115.79 1yug h ALA 41 Ca -0.44 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1yug h ALA 41 Cb 1.30 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1yug h ALA 41 CO 0.34 -0.50 0.00 0.54 0.00 0.00 0.00 179.25 179.63 1yug n ARG 42 N -5.47 0.00 -1.46 0.00 3.00 -1.26 -4.99 116.66 106.47 1yug n ARG 42 Ca 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.87 1yug n ARG 42 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 32.46 32.69 1yug n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1yug h GLU 44 N 0.29 0.00 -4.76 0.00 4.81 -1.94 -3.43 114.58 109.55 1yug h GLU 44 Ca -0.53 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.45 1yug h GLU 44 Cb 1.39 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.62 1yug h GLU 44 CO -0.26 0.61 -0.70 -1.58 -0.73 0.00 0.00 179.01 176.35 1yug s HIS 45 N -2.99 0.99 -0.15 0.92 2.46 -1.26 -4.90 115.29 110.35 1yug s HIS 45 Ca 0.03 -0.87 -0.10 0.00 0.47 0.00 0.00 55.06 54.59 1yug s HIS 45 Cb 0.09 -0.55 0.05 0.00 -0.13 0.00 0.00 32.58 32.04 1yug s HIS 45 CO 0.76 -0.09 0.37 0.00 -2.47 0.00 0.00 174.74 173.31 1yug s ALA 46 N -3.54 -0.94 0.68 1.58 0.00 -1.26 -2.16 121.76 116.12 1yug s ALA 46 Ca 0.13 1.32 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 1yug s ALA 46 Cb 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.38 1yug s ALA 46 CO -0.03 -0.23 1.11 0.34 0.00 0.00 0.00 175.76 176.95 1yug s ASP 47 N 1.06 4.94 -0.14 0.00 2.15 -1.26 -4.87 116.67 118.55 1yug s ASP 47 Ca -0.07 1.99 0.18 0.00 0.43 0.00 0.00 52.55 55.08 1yug s ASP 47 Cb -0.07 -2.55 0.74 0.00 -0.30 0.00 0.00 42.92 40.74 1yug s ASP 47 CO -0.09 -1.75 1.66 0.18 -0.17 0.00 0.00 175.17 175.00 1yug n LEU 48 N -2.62 4.96 0.00 -1.34 4.32 -1.26 -4.78 117.00 116.28 1yug n LEU 48 Ca 0.10 -2.55 0.00 0.00 -0.02 0.00 0.00 56.01 53.54 1yug n LEU 48 Cb 0.52 -0.60 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1yug n LEU 48 CO 0.49 0.78 0.00 0.18 -1.22 0.00 0.00 177.39 177.61 1yug n LEU 49 N 1.00 0.00 -0.29 2.23 4.32 -1.26 -5.31 117.00 117.69 1yug n LEU 49 Ca 0.26 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.40 1yug n LEU 49 Cb 0.95 0.00 0.69 0.00 -1.62 0.00 0.00 43.42 43.45 1yug n LEU 49 CO 0.26 0.00 0.97 0.00 -1.22 0.00 0.00 177.39 177.39