#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yj9 s GLU 5 N 0.00 0.10 -0.29 -0.14 2.12 -1.26 -2.44 118.70 116.79 1yj9 s GLU 5 Ca 0.00 -0.12 -0.28 0.00 0.36 0.00 0.00 54.97 54.92 1yj9 s GLU 5 Cb 0.00 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.40 1yj9 s GLU 5 CO 0.00 -0.02 1.82 0.00 -0.54 0.00 0.00 175.26 176.52 1yj9 n ASP 7 N 10.03 0.00 0.00 0.00 8.00 -0.94 -2.21 116.55 131.43 1yj9 n ASP 7 Ca 0.23 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1yj9 n ASP 7 Cb 0.46 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1yj9 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yj9 n TYR 8 N -0.46 0.00 -0.06 1.24 9.36 -1.26 -4.94 117.16 121.04 1yj9 n TYR 8 Ca 0.00 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.04 1yj9 n TYR 8 Cb 0.00 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.58 1yj9 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1yj9 n GLY 10 N 1.58 1.15 3.49 0.00 0.00 -0.94 -0.23 105.19 110.24 1yj9 n GLY 10 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1yj9 n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yj9 n THR 11 N 0.00 0.00 -2.78 2.61 -2.24 -1.26 -4.36 114.28 106.25 1yj9 n THR 11 Ca 0.00 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 1yj9 n THR 11 Cb 0.00 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.29 1yj9 n THR 11 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1yj9 s ASP 12 N -2.35 7.01 -0.37 3.42 1.01 -1.26 -1.92 116.67 122.21 1yj9 s ASP 12 Ca 0.66 1.26 -0.28 0.00 0.71 0.00 0.00 52.55 54.90 1yj9 s ASP 12 Cb -0.23 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 1yj9 s ASP 12 CO 0.64 -0.54 1.94 -0.63 0.21 0.00 0.00 175.17 176.79 1yj9 s ILE 13 N 2.71 3.33 -0.32 0.77 1.01 -1.02 -4.89 121.20 122.80 1yj9 s ILE 13 Ca 0.41 0.31 -0.39 0.00 0.00 0.00 0.00 60.65 60.98 1yj9 s ILE 13 Cb -0.16 -3.53 -0.14 0.00 0.01 0.00 0.00 42.46 38.64 1yj9 s ILE 13 CO 0.09 -0.39 1.94 1.21 0.00 0.00 0.00 174.94 177.79 1yj9 n GLU 14 N 8.67 1.05 -1.57 2.79 4.07 -1.26 -4.39 120.64 130.00 1yj9 n GLU 14 Ca 0.25 0.35 -0.48 0.00 -0.06 0.00 0.00 57.16 57.22 1yj9 n GLU 14 Cb 0.48 -2.18 -0.03 0.00 -0.06 0.00 0.00 31.44 29.65 1yj9 n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1yj9 n PRO 15 N 6.59 1.12 -0.78 5.31 -0.04 -1.26 -1.90 135.00 144.04 1yj9 n PRO 15 Ca 0.34 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1yj9 n PRO 15 Cb 0.15 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 1yj9 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yj9 n GLY 16 N 1.79 0.72 3.27 0.55 0.00 -1.26 -5.05 105.19 105.21 1yj9 n GLY 16 Ca 0.14 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1yj9 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yj9 s THR 17 N -2.00 0.00 0.00 2.61 2.01 -0.80 -5.15 115.64 112.31 1yj9 s THR 17 Ca 0.00 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.04 1yj9 s THR 17 Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.01 1yj9 s THR 17 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1yj9 n GLY 18 N -0.49 -1.43 3.20 4.40 0.00 -1.26 -4.92 105.19 104.70 1yj9 n GLY 18 Ca 0.05 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 1yj9 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yj9 s THR 19 N -2.12 0.94 -0.26 2.61 2.01 -0.99 -5.00 115.64 112.84 1yj9 s THR 19 Ca 0.00 -1.85 0.00 0.00 0.31 0.00 0.00 61.69 60.15 1yj9 s THR 19 Cb 0.00 -1.59 0.08 0.00 0.01 0.00 0.00 72.50 70.99 1yj9 s THR 19 CO 0.00 -0.70 0.01 -0.32 -0.69 0.00 0.00 174.62 172.92 1yj9 s MET 20 N -3.37 1.23 -0.55 4.92 1.75 -1.26 -0.81 119.30 121.22 1yj9 s MET 20 Ca 0.11 -1.04 -0.25 0.00 -1.25 0.00 0.00 55.69 53.25 1yj9 s MET 20 Cb 0.01 -2.45 0.04 0.00 2.84 0.00 0.00 34.83 35.27 1yj9 s MET 20 CO -0.01 -0.75 0.99 0.12 -0.65 0.00 0.00 175.02 174.73 1yj9 s PHE 21 N 1.45 2.76 -0.19 4.11 5.36 0.99 -4.85 117.98 127.61 1yj9 s PHE 21 Ca 0.01 0.09 -0.29 0.00 -0.96 0.00 0.00 56.93 55.78 1yj9 s PHE 21 Cb -0.18 -4.16 -0.01 0.00 -0.34 0.00 0.00 43.02 38.32 1yj9 s PHE 21 CO -0.11 -1.39 1.24 0.08 -1.46 0.00 0.00 175.22 173.57 1yj9 s VAL 22 N 4.16 4.32 0.87 3.12 1.01 -1.26 -2.23 120.40 130.38 1yj9 s VAL 22 Ca 0.33 1.59 -0.12 0.00 0.00 0.00 0.00 61.98 63.79 1yj9 s VAL 22 Cb -0.11 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.32 1yj9 s VAL 22 CO 0.21 -0.17 1.11 -1.00 0.00 0.00 0.00 175.10 175.24 1yj9 s HIS 23 N 3.54 2.58 0.07 5.22 3.76 0.47 -4.95 115.29 125.98 1yj9 s HIS 23 Ca 0.53 1.07 -0.25 0.00 -0.15 0.00 0.00 55.06 56.27 1yj9 s HIS 23 Cb -0.20 -3.21 -0.16 0.00 1.11 0.00 0.00 32.58 30.11 1yj9 s HIS 23 CO 0.14 -2.16 1.64 -0.22 -0.85 0.00 0.00 174.74 173.30 1yj9 h LYS 24 N -1.36 -0.17 -0.21 1.40 3.64 -1.95 -2.29 116.57 115.62 1yj9 h LYS 24 Ca -0.49 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1yj9 h LYS 24 Cb 1.29 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1yj9 h LYS 24 CO 0.59 -0.06 0.15 0.38 -2.27 0.00 0.00 179.45 178.25 1yj9 h ASP 25 N -0.25 0.00 0.00 4.20 2.03 -2.03 -3.44 116.42 116.92 1yj9 h ASP 25 Ca -0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1yj9 h ASP 25 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1yj9 h ASP 25 CO 0.03 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.85 1yj9 n GLY 26 N -1.56 1.15 3.66 7.15 0.00 -0.86 -5.11 105.19 109.62 1yj9 n GLY 26 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1yj9 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yj9 n ALA 27 N 0.00 0.76 -3.25 4.61 0.00 -1.26 -4.54 120.51 116.84 1yj9 n ALA 27 Ca 0.00 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 1yj9 n ALA 27 Cb 0.00 -2.19 -0.14 0.00 0.00 0.00 0.00 19.45 17.12 1yj9 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1yj9 s THR 28 N -0.74 3.23 -0.15 0.00 2.01 -1.26 0.18 115.64 118.89 1yj9 s THR 28 Ca 0.61 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1yj9 s THR 28 Cb -0.64 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 69.49 1yj9 s THR 28 CO 0.58 0.49 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.93 1yj9 s THR 29 N 0.76 1.79 0.07 -0.82 2.01 -0.95 -4.99 115.64 113.51 1yj9 s THR 29 Ca -0.04 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 1yj9 s THR 29 Cb -0.15 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.67 1yj9 s THR 29 CO 0.02 0.50 0.38 -1.00 -0.69 0.00 0.00 174.62 173.82 1yj9 s HIS 30 N 1.30 3.57 0.02 4.92 3.76 -1.26 -0.01 115.29 127.59 1yj9 s HIS 30 Ca 0.03 0.74 0.04 0.00 -0.15 0.00 0.00 55.06 55.72 1yj9 s HIS 30 Cb -0.13 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.42 1yj9 s HIS 30 CO -0.10 0.52 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.14 1yj9 s PHE 31 N -1.41 1.07 -0.26 1.40 0.40 0.01 -2.22 117.98 116.98 1yj9 s PHE 31 Ca 0.33 -0.29 0.22 0.00 -0.60 0.00 0.00 56.93 56.60 1yj9 s PHE 31 Cb -0.14 -0.66 0.05 0.00 0.51 0.00 0.00 43.02 42.78 1yj9 s PHE 31 CO 0.18 0.00 1.13 0.00 0.70 0.00 0.00 175.22 177.23 1yj9 s SER 33 N -5.51 -0.08 0.18 0.00 1.04 -1.26 -4.27 113.70 103.81 1yj9 s SER 33 Ca 0.01 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.55 1yj9 s SER 33 Cb 0.09 0.77 0.05 0.00 0.10 0.00 0.00 66.02 67.02 1yj9 s SER 33 CO 0.77 -1.47 1.42 0.77 0.98 0.00 0.00 173.24 175.71 1yj9 h SER 34 N 2.03 0.30 -0.76 7.02 4.64 -1.99 -3.06 113.55 121.73 1yj9 h SER 34 Ca -0.25 -0.22 0.16 0.00 -0.47 0.00 0.00 61.79 61.00 1yj9 h SER 34 Cb 1.25 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 63.14 1yj9 h SER 34 CO 0.32 0.99 0.23 0.50 -0.87 0.00 0.00 176.83 178.00 1yj9 h LYS 35 N 0.15 0.32 0.52 4.77 3.64 -1.99 0.30 116.57 124.29 1yj9 h LYS 35 Ca -0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1yj9 h LYS 35 Cb 1.40 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1yj9 h LYS 35 CO 0.13 0.21 -0.25 0.00 -2.27 0.00 0.00 179.45 177.27 1yj9 n GLU 37 N -4.74 -0.16 -0.28 0.00 1.02 -0.83 0.07 120.64 115.71 1yj9 n GLU 37 Ca -0.09 1.35 -0.05 0.00 -0.02 0.00 0.00 57.16 58.35 1yj9 n GLU 37 Cb 0.28 -2.00 0.10 0.00 -0.02 0.00 0.00 31.44 29.79 1yj9 n GLU 37 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1yj9 h ASN 38 N 0.00 1.06 0.03 1.62 2.35 -0.41 0.05 115.58 120.27 1yj9 h ASN 38 Ca 0.34 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 1yj9 h ASN 38 Cb 0.56 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1yj9 h ASN 38 CO -0.88 0.92 -0.43 0.78 -1.65 0.00 0.00 177.43 176.18 1yj9 h ASN 39 N 1.14 0.53 0.51 5.81 4.21 0.47 -2.33 115.58 125.91 1yj9 h ASN 39 Ca 0.27 -0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 1yj9 h ASN 39 Cb 0.17 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1yj9 h ASN 39 CO -0.03 0.89 -0.24 0.00 -1.29 0.00 0.00 177.43 176.76 1yj9 h ALA 40 N 1.13 -0.68 -0.76 -0.83 0.00 -0.38 -2.48 119.26 115.25 1yj9 h ALA 40 Ca 0.03 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 54.99 1yj9 h ALA 40 Cb 0.92 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1yj9 h ALA 40 CO 0.08 -0.83 0.55 -0.44 0.00 0.00 0.00 179.25 178.61 1yj9 h ASP 41 N -0.79 0.01 0.64 0.00 3.32 -0.94 1.47 116.42 120.12 1yj9 h ASP 41 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1yj9 h ASP 41 Cb 0.57 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1yj9 h ASP 41 CO 0.11 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.82 1yj9 n LEU 42 N -4.31 0.61 0.00 1.55 4.77 -0.88 -4.84 117.00 113.89 1yj9 n LEU 42 Ca 0.15 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 1yj9 n LEU 42 Cb 0.83 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1yj9 n LEU 42 CO 0.38 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1yj9 n GLY 43 N -0.14 0.77 3.82 -0.72 0.00 0.50 -5.07 105.19 104.35 1yj9 n GLY 43 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1yj9 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yj9 s ARG 44 N -0.68 4.27 -0.20 1.61 0.52 -0.97 -5.02 118.95 118.47 1yj9 s ARG 44 Ca 0.00 1.11 -0.07 0.00 -0.52 0.00 0.00 55.73 56.26 1yj9 s ARG 44 Cb 0.00 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 1yj9 s ARG 44 CO 0.00 0.04 0.05 -1.21 0.02 0.00 0.00 175.30 174.20 1yj9 s GLU 45 N -2.97 3.84 0.41 3.54 2.02 -1.26 -4.36 118.70 119.91 1yj9 s GLU 45 Ca 0.59 -0.41 0.31 0.00 0.02 0.00 0.00 54.97 55.48 1yj9 s GLU 45 Cb -0.11 -3.20 1.38 0.00 0.10 0.00 0.00 34.13 32.30 1yj9 s GLU 45 CO 0.15 0.14 1.43 0.00 0.02 0.00 0.00 175.26 177.00 1yj9 n ALA 46 N 3.94 1.28 -0.07 5.21 0.00 -1.26 -0.91 120.51 128.69 1yj9 n ALA 46 Ca -0.17 0.79 -0.08 0.00 0.00 0.00 0.00 53.44 53.98 1yj9 n ALA 46 Cb 0.52 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 1yj9 n ALA 46 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1yj9 h ARG 47 N 0.00 0.23 0.00 0.00 0.11 -1.93 -2.89 114.38 109.90 1yj9 h ARG 47 Ca 0.81 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.88 1yj9 h ARG 47 Cb 2.64 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 33.67 1yj9 h ARG 47 CO -0.41 0.15 0.00 0.09 0.10 0.00 0.00 179.97 179.91 1yj9 n ASN 48 N -5.01 0.00 -4.48 0.08 3.02 -0.09 -4.23 115.26 104.55 1yj9 n ASN 48 Ca -0.01 0.32 -0.43 0.00 -0.03 0.00 0.00 54.58 54.43 1yj9 n ASN 48 Cb 0.09 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.74 1yj9 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1yj9 s LEU 49 N -2.86 4.86 0.37 3.41 1.43 -1.09 -4.97 118.68 119.83 1yj9 s LEU 49 Ca 0.14 -0.66 0.14 0.00 -1.03 0.00 0.00 54.13 52.71 1yj9 s LEU 49 Cb 0.14 -2.38 0.98 0.00 0.03 0.00 0.00 46.19 44.96 1yj9 s LEU 49 CO 0.37 -0.57 1.80 -0.33 0.23 0.00 0.00 176.35 177.84 1yj9 h GLU 50 N 8.72 0.50 0.00 1.70 5.08 -1.85 -1.94 114.58 126.79 1yj9 h GLU 50 Ca -0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1yj9 h GLU 50 Cb 1.11 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1yj9 h GLU 50 CO 0.79 0.33 0.00 0.11 -1.00 0.00 0.00 179.01 179.24 1yj9 h TRP 51 N 0.52 0.00 -3.81 4.33 5.08 -1.93 -3.39 115.95 116.75 1yj9 h TRP 51 Ca 0.55 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 60.01 1yj9 h TRP 51 Cb 1.21 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 27.40 1yj9 h TRP 51 CO -0.00 0.00 0.53 0.99 -1.28 0.00 0.00 178.44 178.68 1yj9 s THR 52 N -3.58 3.24 0.26 0.12 2.01 -0.73 -4.91 115.64 112.05 1yj9 s THR 52 Ca 0.02 1.24 -0.03 0.00 0.31 0.00 0.00 61.69 63.22 1yj9 s THR 52 Cb 0.09 -3.79 0.19 0.00 0.01 0.00 0.00 72.50 69.00 1yj9 s THR 52 CO 0.49 0.29 1.85 0.44 -0.69 0.00 0.00 174.62 177.00 1yj9 h ASP 53 N 3.76 0.93 -0.11 3.53 5.19 -1.85 0.19 116.42 128.07 1yj9 h ASP 53 Ca -0.47 -0.12 0.02 0.00 -0.62 0.00 0.00 57.03 55.84 1yj9 h ASP 53 Cb 1.22 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.45 1yj9 h ASP 53 CO 0.67 0.81 -0.27 0.74 -3.12 0.00 0.00 179.24 178.07 1yj9 h THR 54 N 1.01 0.00 -0.09 0.35 2.02 -0.91 -2.18 112.91 113.11 1yj9 h THR 54 Ca 0.24 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.46 1yj9 h THR 54 Cb 0.15 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.50 1yj9 h THR 54 CO -0.03 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.54 1yj9 h ALA 55 N -0.81 -0.41 0.00 6.16 0.00 -1.58 -3.48 119.26 119.14 1yj9 h ALA 55 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yj9 h ALA 55 Cb 0.32 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1yj9 h ALA 55 CO -0.24 -0.81 0.00 0.54 0.00 0.00 0.00 179.25 178.73