#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yug n VAL 2 N 0.00 0.00 -1.54 3.34 3.14 -1.26 -5.13 118.33 116.88 1yug n VAL 2 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1yug n VAL 2 Cb 0.00 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.85 1yug n VAL 2 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1yug s SER 3 N -1.58 4.64 -0.09 6.55 1.04 -1.26 -5.05 113.70 117.96 1yug s SER 3 Ca 0.00 2.09 -0.04 0.00 0.48 0.00 0.00 55.95 58.48 1yug s SER 3 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 1yug s SER 3 CO 0.00 -1.95 0.18 -2.28 0.98 0.00 0.00 173.24 170.17 1yug s HIS 4 N -2.33 -0.23 0.10 5.02 5.65 -1.26 -5.11 115.29 117.14 1yug s HIS 4 Ca 0.68 0.63 -0.19 0.00 0.25 0.00 0.00 55.06 56.44 1yug s HIS 4 Cb -0.23 -0.12 0.04 0.00 -1.18 0.00 0.00 32.58 31.10 1yug s HIS 4 CO 0.45 -0.23 0.46 0.12 -0.65 0.00 0.00 174.74 174.89 1yug s PHE 5 N 1.70 -0.31 0.04 3.88 5.36 -1.26 -2.61 117.98 124.78 1yug s PHE 5 Ca -0.04 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 1yug s PHE 5 Cb -0.12 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1yug s PHE 5 CO -0.07 -0.69 0.00 0.09 -1.46 0.00 0.00 175.22 173.10 1yug n ASN 6 N 0.02 0.04 -3.63 6.13 3.02 -1.26 -5.01 115.26 114.58 1yug n ASN 6 Ca -0.17 0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.31 1yug n ASN 6 Cb 0.62 0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.76 1yug n ASN 6 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1yug s ASP 7 N -4.51 -0.34 -0.24 6.41 1.01 -1.26 -4.99 116.67 112.74 1yug s ASP 7 Ca 0.00 0.05 -0.16 0.00 0.71 0.00 0.00 52.55 53.15 1yug s ASP 7 Cb 0.00 0.45 -0.04 0.00 1.01 0.00 0.00 42.92 44.34 1yug s ASP 7 CO 0.00 -0.69 0.41 0.00 0.21 0.00 0.00 175.17 175.10 1yug n PRO 9 N 5.08 -2.51 0.25 0.00 -0.04 -1.26 -4.88 135.00 131.64 1yug n PRO 9 Ca -0.07 -1.09 0.09 0.00 -0.04 0.00 0.00 63.50 62.38 1yug n PRO 9 Cb 0.51 -1.05 0.64 0.00 -0.04 0.00 0.00 33.50 33.56 1yug n PRO 9 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1yug h ASP 10 N -2.19 0.00 -3.47 3.54 3.58 -1.98 -3.38 116.42 112.53 1yug h ASP 10 Ca -0.26 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.66 1yug h ASP 10 Cb 0.80 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.92 1yug h ASP 10 CO 0.17 0.09 0.79 -0.55 -2.88 0.00 0.00 179.24 176.86 1yug s SER 11 N -6.76 6.54 0.00 2.28 0.15 -1.26 -0.70 113.70 113.95 1yug s SER 11 Ca -0.04 2.80 0.00 0.00 0.70 0.00 0.00 55.95 59.41 1yug s SER 11 Cb 0.16 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1yug s SER 11 CO 0.65 -0.78 0.00 1.57 1.20 0.00 0.00 173.24 175.88 1yug n HIS 12 N 1.95 0.00 0.00 3.44 -0.00 -1.26 -4.82 115.22 114.53 1yug n HIS 12 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1yug n HIS 12 Cb 0.39 -0.92 0.00 0.00 -0.00 0.00 0.00 29.99 29.46 1yug n HIS 12 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1yug n THR 13 N -2.33 0.00 -0.05 3.57 -2.24 0.13 -2.72 114.28 110.63 1yug n THR 13 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1yug n THR 13 Cb 0.17 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 1yug n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yug n GLN 14 N 0.00 0.22 -1.34 -0.78 3.00 -1.26 -4.87 117.38 112.34 1yug n GLN 14 Ca 0.00 0.09 -0.12 0.00 -0.01 0.00 0.00 57.00 56.97 1yug n GLN 14 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 30.24 29.30 1yug n GLN 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1yug n PHE 15 N -3.43 0.00 -3.73 1.08 7.35 -1.10 -4.82 117.46 112.80 1yug n PHE 15 Ca -0.20 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.33 1yug n PHE 15 Cb 0.65 -2.35 -0.15 0.00 0.35 0.00 0.00 39.48 37.97 1yug n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1yug h PHE 17 N 7.56 0.68 -0.99 0.00 -1.00 -1.75 -3.39 116.94 118.05 1yug h PHE 17 Ca -0.36 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.44 1yug h PHE 17 Cb 1.13 -0.20 -0.20 0.00 3.61 0.00 0.00 35.95 40.28 1yug h PHE 17 CO 0.46 0.29 -0.40 -1.58 -1.61 0.00 0.00 178.31 175.47 1yug s HIS 18 N -6.07 -1.80 0.00 -0.55 5.65 -1.26 -5.12 115.29 106.14 1yug s HIS 18 Ca -0.13 0.77 0.00 0.00 0.25 0.00 0.00 55.06 55.95 1yug s HIS 18 Cb 0.17 0.32 0.00 0.00 -1.18 0.00 0.00 32.58 31.89 1yug s HIS 18 CO 0.76 -1.11 0.00 0.41 -0.65 0.00 0.00 174.74 174.15 1yug n GLY 19 N 5.03 1.18 3.89 1.59 0.00 -1.26 -4.17 105.19 111.45 1yug n GLY 19 Ca 0.07 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1yug n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yug s THR 20 N -2.38 4.73 -0.08 2.61 2.01 0.83 -4.94 115.64 118.42 1yug s THR 20 Ca 0.00 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.53 1yug s THR 20 Cb 0.00 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1yug s THR 20 CO 0.00 -0.97 -0.10 0.00 -0.69 0.00 0.00 174.62 172.86 1yug s ARG 22 N 0.97 0.38 -0.23 0.00 0.52 -0.10 -4.42 118.95 116.07 1yug s ARG 22 Ca -0.09 -0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 54.70 1yug s ARG 22 Cb -0.15 0.15 0.07 0.00 0.52 0.00 0.00 34.95 35.55 1yug s ARG 22 CO 0.00 -0.08 0.08 0.12 0.02 0.00 0.00 175.30 175.44 1yug s PHE 23 N -1.20 0.76 -0.02 -0.53 2.19 -1.26 0.20 117.98 118.13 1yug s PHE 23 Ca -0.13 -0.86 -0.30 0.00 0.33 0.00 0.00 56.93 55.97 1yug s PHE 23 Cb -0.07 -1.02 -0.07 0.00 -1.31 0.00 0.00 43.02 40.55 1yug s PHE 23 CO 0.01 -0.67 1.82 -0.51 1.83 0.00 0.00 175.22 177.69 1yug s LEU 24 N 1.95 4.34 0.14 6.12 1.02 -0.16 -4.44 118.68 127.65 1yug s LEU 24 Ca 0.04 2.42 0.13 0.00 0.02 0.00 0.00 54.13 56.74 1yug s LEU 24 Cb -0.17 -3.53 -0.10 0.00 0.02 0.00 0.00 46.19 42.41 1yug s LEU 24 CO -0.17 -1.03 1.15 0.58 0.02 0.00 0.00 176.35 176.90 1yug h VAL 25 N 5.66 1.02 0.00 -1.59 2.07 -1.79 0.16 116.25 121.79 1yug h VAL 25 Ca -0.44 -2.58 -0.07 0.00 0.82 0.00 0.00 66.70 64.44 1yug h VAL 25 Cb 1.21 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 1yug h VAL 25 CO 0.95 0.58 -0.31 0.06 0.02 0.00 0.00 177.57 178.86 1yug h GLN 26 N 0.00 0.00 -0.03 1.57 3.07 -1.89 -2.85 115.11 114.98 1yug h GLN 26 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1yug h GLN 26 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.19 1yug h GLN 26 CO 0.08 0.31 0.00 0.39 0.09 0.00 0.00 178.83 179.71 1yug n GLU 27 N -3.62 0.89 -4.07 0.06 1.02 -1.22 -5.01 120.64 108.69 1yug n GLU 27 Ca -0.01 -1.05 -0.45 0.00 -0.02 0.00 0.00 57.16 55.63 1yug n GLU 27 Cb 0.44 -1.05 0.02 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.06 -4.17 -3.85 1.62 2.03 0.45 -4.95 116.55 107.62 1yug n ASP 28 Ca 0.02 -1.28 -0.12 0.00 0.52 0.00 0.00 54.79 53.93 1yug n ASP 28 Cb 0.15 -1.59 -0.11 0.00 -0.72 0.00 0.00 41.12 38.86 1yug n ASP 28 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1yug s LYS 29 N -7.24 0.37 0.98 -0.67 -2.85 -0.47 -5.01 119.74 104.86 1yug s LYS 29 Ca 0.44 -0.16 -0.12 0.00 -1.00 0.00 0.00 55.97 55.13 1yug s LYS 29 Cb -0.25 0.16 0.18 0.00 -2.06 0.00 0.00 37.83 35.86 1yug s LYS 29 CO 0.97 -0.08 1.09 -1.25 0.10 0.00 0.00 175.35 176.18 1yug s PRO 30 N -0.83 0.55 -0.30 1.78 0.04 -1.26 -0.99 135.00 133.99 1yug s PRO 30 Ca -0.09 0.65 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 1yug s PRO 30 Cb -0.05 -1.74 0.19 0.00 0.04 0.00 0.00 34.50 32.94 1yug s PRO 30 CO 0.01 -2.69 0.76 0.00 0.04 0.00 0.00 177.00 175.12 1yug s ALA 31 N -2.90 -2.78 0.02 8.56 0.00 0.13 -4.68 121.76 120.10 1yug s ALA 31 Ca 0.65 1.52 -0.05 0.00 0.00 0.00 0.00 51.96 54.08 1yug s ALA 31 Cb -0.19 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 1yug s ALA 31 CO 0.58 -1.56 0.25 0.00 0.00 0.00 0.00 175.76 175.03 1yug s VAL 33 N -1.34 0.81 0.65 0.00 1.01 -0.99 -4.98 120.40 115.55 1yug s VAL 33 Ca 0.29 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1yug s VAL 33 Cb -0.13 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 35.53 1yug s VAL 33 CO 0.18 -0.24 0.90 0.00 0.00 0.00 0.00 175.10 175.95 1yug n HIS 35 N -2.63 3.14 -1.13 0.00 8.25 -1.26 -4.46 115.22 117.14 1yug n HIS 35 Ca 0.12 -2.69 0.00 0.00 -0.26 0.00 0.00 57.72 54.88 1yug n HIS 35 Cb 0.60 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1yug n HIS 35 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1yug n SER 36 N -0.59 -6.23 -3.53 0.41 3.41 -1.26 -4.84 113.62 100.98 1yug n SER 36 Ca 0.49 1.08 -0.19 0.00 -0.26 0.00 0.00 58.87 59.99 1yug n SER 36 Cb 0.54 -3.22 0.06 0.00 -0.26 0.00 0.00 64.21 61.34 1yug n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yug n GLY 37 N -1.52 -0.40 3.42 5.00 0.00 -1.26 -4.95 105.19 105.47 1yug n GLY 37 Ca 0.00 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.49 1.88 0.00 1.61 1.51 -1.26 -2.41 117.35 115.20 1yug s TYR 38 Ca 0.04 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.32 1yug s TYR 38 Cb -0.01 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 1yug s TYR 38 CO 0.77 0.18 0.00 0.28 -1.11 0.00 0.00 175.55 175.66 1yug n VAL 39 N -0.57 0.00 -4.14 0.71 0.31 -0.84 -4.74 118.33 109.06 1yug n VAL 39 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1yug n VAL 39 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 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 0.00 0.56 2.81 2.92 0.00 -1.26 -3.24 105.19 106.97 1yug n GLY 40 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 1yug n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yug s ALA 41 N -1.86 0.11 -1.63 4.61 0.00 -1.26 -4.76 121.76 116.97 1yug s ALA 41 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1yug s ALA 41 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1yug s ALA 41 CO 0.00 -0.07 0.00 0.54 0.00 0.00 0.00 175.76 176.23 1yug n ARG 42 N 3.90 -1.14 -3.31 0.00 1.74 -1.26 -1.51 116.66 115.08 1yug n ARG 42 Ca -0.24 1.01 -0.21 0.00 -0.77 0.00 0.00 57.85 57.64 1yug n ARG 42 Cb 0.52 -5.22 0.06 0.00 -1.02 0.00 0.00 32.46 26.80 1yug n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yug h GLU 44 N -2.05 0.00 -5.61 0.00 5.08 -1.43 -3.15 114.58 107.42 1yug h GLU 44 Ca -0.49 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.38 1yug h GLU 44 Cb 1.32 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.43 1yug h GLU 44 CO 0.49 0.44 -0.71 -1.58 -1.00 0.00 0.00 179.01 176.65 1yug s HIS 45 N -3.01 1.88 0.36 4.33 2.46 -1.20 -4.85 115.29 115.26 1yug s HIS 45 Ca 0.04 -0.60 0.03 0.00 0.47 0.00 0.00 55.06 55.01 1yug s HIS 45 Cb 0.07 -0.96 -0.04 0.00 -0.13 0.00 0.00 32.58 31.53 1yug s HIS 45 CO 0.73 0.37 0.12 0.00 -2.47 0.00 0.00 174.74 173.49 1yug s ALA 46 N -2.93 2.49 0.78 1.58 0.00 -1.26 -1.99 121.76 120.42 1yug s ALA 46 Ca 0.26 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 1yug s ALA 46 Cb 0.01 0.85 0.06 0.00 0.00 0.00 0.00 23.12 24.03 1yug s ALA 46 CO 0.10 -0.38 1.09 0.16 0.00 0.00 0.00 175.76 176.73 1yug s ASP 47 N -3.51 4.64 0.29 0.00 -4.77 -1.01 -4.51 116.67 107.81 1yug s ASP 47 Ca 0.30 1.41 -0.10 0.00 -3.30 0.00 0.00 52.55 50.86 1yug s ASP 47 Cb 0.05 -2.17 0.00 0.00 -1.09 0.00 0.00 42.92 39.71 1yug s ASP 47 CO 0.15 -1.89 0.51 -1.48 0.70 0.00 0.00 175.17 173.17 1yug s LEU 48 N -5.75 0.50 0.00 2.11 -0.00 -1.26 -5.03 118.68 109.24 1yug s LEU 48 Ca 0.60 -1.13 0.00 0.00 -0.00 0.00 0.00 54.13 53.61 1yug s LEU 48 Cb -0.15 1.78 0.00 0.00 -0.00 0.00 0.00 46.19 47.83 1yug s LEU 48 CO 0.55 -1.25 0.00 0.18 -0.00 0.00 0.00 176.35 175.83 1yug n LEU 49 N -0.45 0.00 0.00 1.48 4.77 -1.26 -5.23 117.00 116.31 1yug n LEU 49 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1yug n LEU 49 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1yug n LEU 49 CO 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.31