#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 0.74 -1.99 1.55 3.04 -2.05 -3.50 116.25 114.03 1yug h VAL 2 Ca 0.00 -2.11 0.00 0.00 -1.01 0.00 0.00 66.70 63.58 1yug h VAL 2 Cb 0.00 2.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1yug h VAL 2 CO 0.00 0.42 -0.52 -1.20 -1.01 0.00 0.00 177.57 175.26 1yug n SER 3 N -3.13 -4.53 -0.64 3.17 7.64 -1.26 -5.10 113.62 109.77 1yug n SER 3 Ca -0.01 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1yug n SER 3 Cb 0.75 -2.25 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 1yug n SER 3 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1yug n HIS 4 N -2.08 -0.61 -3.62 1.43 -0.00 -1.26 -4.83 115.22 104.25 1yug n HIS 4 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 1yug n HIS 4 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.21 1yug n HIS 4 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1yug s PHE 5 N -6.64 -0.11 0.10 1.57 0.08 -1.26 -4.18 117.98 107.54 1yug s PHE 5 Ca 0.00 0.14 -0.14 0.00 0.12 0.00 0.00 56.93 57.05 1yug s PHE 5 Cb 0.00 0.50 0.05 0.00 -0.57 0.00 0.00 43.02 42.99 1yug s PHE 5 CO 0.00 -0.12 0.67 0.09 -0.10 0.00 0.00 175.22 175.75 1yug n ASN 6 N 0.31 -1.03 -3.83 1.36 4.13 -1.21 -4.82 115.26 110.16 1yug n ASN 6 Ca -0.01 -1.51 -0.41 0.00 1.68 0.00 0.00 54.58 54.33 1yug n ASN 6 Cb 0.58 1.67 -0.12 0.00 -1.54 0.00 0.00 39.78 40.37 1yug n ASN 6 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1yug n ASP 7 N -0.98 0.39 -0.25 6.41 9.92 -1.26 -4.62 116.55 126.17 1yug n ASP 7 Ca -0.01 0.31 -0.08 0.00 -0.53 0.00 0.00 54.79 54.48 1yug n ASP 7 Cb 0.36 -0.79 -0.07 0.00 -0.64 0.00 0.00 41.12 39.98 1yug n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yug s PRO 9 N -4.73 2.95 0.00 0.00 0.04 -1.26 -4.47 135.00 127.52 1yug s PRO 9 Ca -0.09 1.02 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1yug s PRO 9 Cb 0.07 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1yug s PRO 9 CO 0.42 -2.32 0.73 -0.25 0.04 0.00 0.00 177.00 175.62 1yug n ASP 10 N 11.65 0.00 0.00 6.66 8.00 -1.25 -5.02 116.55 136.58 1yug n ASP 10 Ca 0.22 -1.52 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1yug n ASP 10 Cb 0.50 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1yug n ASP 10 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1yug n SER 11 N 0.00 0.00 -2.36 -2.24 7.64 -1.26 -4.96 113.62 110.43 1yug n SER 11 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1yug n SER 11 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1yug n SER 11 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1yug n HIS 12 N -0.26 -0.99 1.76 1.43 8.25 -1.26 -4.83 115.22 119.31 1yug n HIS 12 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1yug n HIS 12 Cb 0.00 -3.83 0.84 0.00 1.12 0.00 0.00 29.99 28.12 1yug n HIS 12 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1yug n THR 13 N -3.86 0.00 -0.17 1.59 5.66 -1.26 -2.62 114.28 113.61 1yug n THR 13 Ca -0.24 -0.02 0.06 0.00 -3.05 0.00 0.00 64.05 60.81 1yug n THR 13 Cb 0.68 -0.41 0.28 0.00 -1.55 0.00 0.00 70.33 69.33 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 -1.01 3.32 -0.06 1.09 6.02 -1.26 -3.89 117.38 121.59 1yug n GLN 14 Ca 0.20 -2.21 0.10 0.00 -0.01 0.00 0.00 57.00 55.08 1yug n GLN 14 Cb 0.18 -1.84 0.12 0.00 1.02 0.00 0.00 30.24 29.71 1yug n GLN 14 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1yug n PHE 15 N 0.69 0.16 -3.67 1.08 3.01 -1.08 -4.87 117.46 112.79 1yug n PHE 15 Ca 0.20 -0.10 -0.15 0.00 1.01 0.00 0.00 57.45 58.41 1yug n PHE 15 Cb 0.78 -0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 40.11 1yug n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yug n PHE 17 N 5.32 0.00 -2.98 0.00 3.01 -1.13 -4.84 117.46 116.85 1yug n PHE 17 Ca -0.06 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.28 1yug n PHE 17 Cb 0.50 -0.90 -0.03 0.00 -0.01 0.00 0.00 39.48 39.04 1yug n PHE 17 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1yug n HIS 18 N -2.94 -2.77 -3.62 1.38 -0.00 -1.25 -5.03 115.22 100.98 1yug n HIS 18 Ca -0.36 -2.08 -0.03 0.00 0.46 0.00 0.00 57.72 55.71 1yug n HIS 18 Cb 1.01 1.04 -0.01 0.00 -0.12 0.00 0.00 29.99 31.91 1yug n HIS 18 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1yug s GLY 19 N 0.40 -0.35 0.56 1.57 0.00 -1.26 -4.23 107.32 104.01 1yug s GLY 19 Ca 0.31 0.87 -0.19 0.00 0.00 0.00 0.00 44.72 45.71 1yug s GLY 19 CO -0.11 0.25 0.72 2.41 0.00 0.00 0.00 173.10 176.36 1yug n THR 20 N -0.33 2.77 -4.76 0.90 -1.04 0.32 -4.75 114.28 107.40 1yug n THR 20 Ca -0.06 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.17 1yug n THR 20 Cb 0.61 -0.87 -0.17 0.00 -1.82 0.00 0.00 70.33 68.08 1yug n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yug s ARG 22 N 0.65 0.16 -0.12 0.00 0.52 0.60 -4.78 118.95 115.97 1yug s ARG 22 Ca -0.14 0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 55.76 1yug s ARG 22 Cb -0.16 -0.04 0.06 0.00 0.52 0.00 0.00 34.95 35.33 1yug s ARG 22 CO 0.04 -0.27 0.26 0.12 0.02 0.00 0.00 175.30 175.46 1yug s PHE 23 N 2.30 -0.39 0.31 -0.53 5.36 -1.26 0.59 117.98 124.36 1yug s PHE 23 Ca 0.00 0.92 -0.05 0.00 -0.96 0.00 0.00 56.93 56.84 1yug s PHE 23 Cb -0.12 -0.02 0.07 0.00 -0.34 0.00 0.00 43.02 42.62 1yug s PHE 23 CO -0.09 -0.32 0.31 1.28 -1.46 0.00 0.00 175.22 174.94 1yug n LEU 24 N 5.04 0.00 0.06 6.12 4.77 -1.08 -3.36 117.00 128.56 1yug n LEU 24 Ca -0.11 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1yug n LEU 24 Cb 0.51 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1yug n LEU 24 CO 0.06 -1.15 -0.09 0.52 -1.33 0.00 0.00 177.39 175.40 1yug n VAL 25 N -2.94 0.40 0.21 4.08 0.31 -1.26 -4.11 118.33 115.02 1yug n VAL 25 Ca 0.04 0.13 0.10 0.00 -0.01 0.00 0.00 64.34 64.61 1yug n VAL 25 Cb 0.15 -1.04 0.65 0.00 -0.91 0.00 0.00 33.84 32.70 1yug n VAL 25 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1yug h GLN 26 N 0.00 0.00 -0.01 5.55 1.08 -1.88 -0.82 115.11 119.05 1yug h GLN 26 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yug h GLN 26 Cb 0.19 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1yug h GLN 26 CO 0.00 0.00 -0.24 0.39 -0.95 0.00 0.00 178.83 178.03 1yug n GLU 27 N -4.51 2.22 -4.02 1.46 4.71 -1.26 -4.95 120.64 114.30 1yug n GLU 27 Ca -0.00 -0.56 -0.35 0.00 -0.01 0.00 0.00 57.16 56.24 1yug n GLU 27 Cb 0.19 -1.08 -0.01 0.00 -1.01 0.00 0.00 31.44 29.53 1yug n GLU 27 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1yug n ASP 28 N -0.34 -2.16 -4.25 1.62 5.75 -0.31 -4.88 116.55 111.97 1yug n ASP 28 Ca 0.04 -1.07 -0.37 0.00 -0.01 0.00 0.00 54.79 53.38 1yug n ASP 28 Cb 0.21 -1.29 -0.13 0.00 -1.03 0.00 0.00 41.12 38.89 1yug n ASP 28 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1yug s LYS 29 N -6.92 2.58 0.68 0.11 1.02 -1.26 -4.91 119.74 111.04 1yug s LYS 29 Ca 0.29 -1.19 -0.14 0.00 0.02 0.00 0.00 55.97 54.94 1yug s LYS 29 Cb -0.16 -3.39 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1yug s LYS 29 CO 0.80 -0.65 1.12 -1.25 -0.92 0.00 0.00 175.35 174.45 1yug s PRO 30 N 1.37 2.65 -0.30 -1.68 0.04 -1.26 -2.62 135.00 133.19 1yug s PRO 30 Ca -0.03 1.40 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1yug s PRO 30 Cb -0.20 -1.93 0.18 0.00 0.04 0.00 0.00 34.50 32.59 1yug s PRO 30 CO 0.02 -1.37 0.99 0.00 0.04 0.00 0.00 177.00 176.68 1yug s ALA 31 N -2.38 -3.11 0.15 8.56 0.00 0.20 -4.94 121.76 120.24 1yug s ALA 31 Ca 0.67 1.66 0.11 0.00 0.00 0.00 0.00 51.96 54.39 1yug s ALA 31 Cb -0.21 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1yug s ALA 31 CO 0.44 -1.29 -0.24 0.00 0.00 0.00 0.00 175.76 174.67 1yug s VAL 33 N -1.27 1.13 0.81 0.00 1.01 -0.72 -4.96 120.40 116.41 1yug s VAL 33 Ca 0.17 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1yug s VAL 33 Cb -0.10 -0.96 0.08 0.00 0.00 0.00 0.00 36.38 35.40 1yug s VAL 33 CO 0.08 0.24 1.09 0.00 0.00 0.00 0.00 175.10 176.52 1yug n HIS 35 N -3.51 2.82 -3.42 0.00 8.25 -1.26 -4.59 115.22 113.51 1yug n HIS 35 Ca 0.07 -2.09 -0.19 0.00 -0.26 0.00 0.00 57.72 55.26 1yug n HIS 35 Cb 0.56 -0.98 0.01 0.00 1.12 0.00 0.00 29.99 30.70 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 -1.08 -6.17 0.00 0.41 3.41 -1.26 -4.88 113.62 104.05 1yug n SER 36 Ca 0.56 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1yug n SER 36 Cb 1.35 -3.13 0.00 0.00 -0.26 0.00 0.00 64.21 62.16 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 -1.24 0.00 3.65 5.00 0.00 -0.98 -5.03 105.19 106.60 1yug n GLY 37 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -2.30 0.16 1.61 4.01 -0.40 -4.56 117.16 115.68 1yug n TYR 38 Ca 0.00 -1.84 -0.07 0.00 -0.16 0.00 0.00 57.90 55.84 1yug n TYR 38 Cb 0.00 0.89 -0.03 0.00 -0.31 0.00 0.00 39.34 39.89 1yug n TYR 38 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1yug h VAL 39 N 1.97 0.00 0.00 -0.72 2.07 -1.62 -3.40 116.25 114.54 1yug h VAL 39 Ca -0.33 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1yug h VAL 39 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1yug h VAL 39 CO 0.41 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1yug n GLY 40 N 0.07 0.20 5.19 2.17 0.00 -1.26 -5.00 105.19 106.56 1yug n GLY 40 Ca -0.05 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.61 0.00 0.01 4.61 0.00 -1.26 -1.06 120.51 122.20 1yug n ALA 41 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1yug n ALA 41 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1yug n ALA 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yug n ARG 42 N 0.00 0.65 -2.02 0.00 1.74 -1.26 -4.93 116.66 110.84 1yug n ARG 42 Ca 0.00 -0.06 -0.08 0.00 -0.77 0.00 0.00 57.85 56.94 1yug n ARG 42 Cb 0.00 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 29.81 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 0.00 0.35 -6.34 0.00 4.81 -1.90 -3.33 114.58 108.17 1yug h GLU 44 Ca -0.18 -0.60 -0.55 0.00 -0.13 0.00 0.00 59.36 57.90 1yug h GLU 44 Cb 1.05 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 1yug h GLU 44 CO 0.22 1.29 -0.13 -1.58 -0.73 0.00 0.00 179.01 178.08 1yug s HIS 45 N -2.54 3.51 -0.39 0.92 2.46 -1.26 -4.99 115.29 113.00 1yug s HIS 45 Ca -0.17 0.91 -0.07 0.00 0.47 0.00 0.00 55.06 56.20 1yug s HIS 45 Cb 0.05 -2.27 0.07 0.00 -0.13 0.00 0.00 32.58 30.30 1yug s HIS 45 CO 0.83 0.37 0.19 0.00 -2.47 0.00 0.00 174.74 173.65 1yug s ALA 46 N -1.63 3.17 0.89 1.58 0.00 -1.26 -1.79 121.76 122.72 1yug s ALA 46 Ca 0.42 -2.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.20 1yug s ALA 46 Cb -0.13 -2.46 0.13 0.00 0.00 0.00 0.00 23.12 20.66 1yug s ALA 46 CO 0.20 -1.56 1.10 0.34 0.00 0.00 0.00 175.76 175.84 1yug s ASP 47 N 1.82 3.30 -0.05 0.00 2.15 -1.26 -4.86 116.67 117.76 1yug s ASP 47 Ca 0.02 1.85 0.12 0.00 0.43 0.00 0.00 52.55 54.97 1yug s ASP 47 Cb -0.22 -2.44 0.44 0.00 -0.30 0.00 0.00 42.92 40.40 1yug s ASP 47 CO 0.01 -2.80 1.31 0.18 -0.17 0.00 0.00 175.17 173.70 1yug n LEU 48 N -4.02 2.97 0.00 -1.34 7.99 -1.26 -4.63 117.00 116.70 1yug n LEU 48 Ca 0.09 -1.49 0.00 0.00 -0.01 0.00 0.00 56.01 54.60 1yug n LEU 48 Cb 0.53 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 1yug n LEU 48 CO 0.53 0.57 0.00 0.18 -1.51 0.00 0.00 177.39 177.15 1yug n LEU 49 N 0.68 0.00 0.00 2.23 4.32 -1.26 -5.20 117.00 117.76 1yug n LEU 49 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.15 1yug n LEU 49 Cb 0.54 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1yug n LEU 49 CO 0.14 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.31