#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s GLU 5 N 0.00 2.51 -0.11 -0.14 2.12 -1.26 -1.01 118.70 120.80 1yhq s GLU 5 Ca 0.00 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.21 1yhq s GLU 5 Cb 0.00 -2.24 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 1yhq s GLU 5 CO 0.00 0.48 1.82 0.00 -0.54 0.00 0.00 175.26 177.02 1yhq n ASP 7 N 8.46 0.00 0.00 0.00 8.00 -0.30 -1.76 116.55 130.96 1yhq n ASP 7 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1yhq n ASP 7 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1yhq n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yhq n TYR 8 N -0.91 0.00 0.15 1.24 9.36 -1.26 -4.85 117.16 120.89 1yhq n TYR 8 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 1yhq n TYR 8 Cb 0.00 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 38.87 1yhq n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1yhq n GLY 10 N 0.67 0.85 3.71 0.00 0.00 -0.72 -0.82 105.19 108.86 1yhq n GLY 10 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1yhq n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yhq s THR 11 N -2.24 2.06 0.15 2.61 -4.23 -1.26 -4.51 115.64 108.22 1yhq s THR 11 Ca 0.00 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.23 1yhq s THR 11 Cb 0.00 -2.58 -0.07 0.00 1.34 0.00 0.00 72.50 71.19 1yhq s THR 11 CO 0.00 -0.03 0.98 -1.81 -0.54 0.00 0.00 174.62 173.23 1yhq s ASP 12 N -3.61 7.49 -0.42 3.99 1.01 -1.26 -1.13 116.67 122.74 1yhq s ASP 12 Ca 0.65 1.88 -0.25 0.00 0.71 0.00 0.00 52.55 55.54 1yhq s ASP 12 Cb -0.18 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.18 1yhq s ASP 12 CO 0.56 -0.04 0.90 -0.63 0.21 0.00 0.00 175.17 176.18 1yhq s ILE 13 N -0.33 4.55 -0.12 0.77 1.01 -0.18 -4.85 121.20 122.04 1yhq s ILE 13 Ca 0.46 0.88 -0.37 0.00 0.00 0.00 0.00 60.65 61.62 1yhq s ILE 13 Cb -0.25 -4.37 -0.14 0.00 0.01 0.00 0.00 42.46 37.71 1yhq s ILE 13 CO 0.31 -0.69 1.74 1.21 0.00 0.00 0.00 174.94 177.51 1yhq n GLU 14 N 6.94 1.67 -1.61 2.79 4.07 -1.26 -4.54 120.64 128.70 1yhq n GLU 14 Ca 0.06 0.61 -0.41 0.00 -0.06 0.00 0.00 57.16 57.35 1yhq n GLU 14 Cb 0.48 -2.36 0.01 0.00 -0.06 0.00 0.00 31.44 29.51 1yhq n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1yhq n PRO 15 N 5.42 1.33 -2.75 5.31 -0.04 -1.26 -2.48 135.00 140.53 1yhq n PRO 15 Ca 0.23 0.48 -0.08 0.00 -0.04 0.00 0.00 63.50 64.09 1yhq n PRO 15 Cb 0.22 -2.03 0.02 0.00 -0.04 0.00 0.00 33.50 31.67 1yhq n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yhq n GLY 16 N 1.20 0.40 3.61 0.55 0.00 -1.26 -5.03 105.19 104.66 1yhq n GLY 16 Ca 0.09 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1yhq n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yhq s THR 17 N -2.98 0.01 0.00 2.61 2.01 -1.03 -5.17 115.64 111.09 1yhq s THR 17 Ca 0.16 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1yhq s THR 17 Cb -0.07 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.64 1yhq s THR 17 CO 0.20 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 1yhq n GLY 18 N -0.38 -1.36 3.16 4.40 0.00 -1.26 -4.89 105.19 104.86 1yhq n GLY 18 Ca -0.07 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.17 1yhq n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yhq s THR 19 N -1.77 1.11 -0.21 2.61 2.01 -0.91 -5.00 115.64 113.47 1yhq s THR 19 Ca 0.00 -1.15 -0.03 0.00 0.31 0.00 0.00 61.69 60.82 1yhq s THR 19 Cb 0.00 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1yhq s THR 19 CO 0.00 -0.11 -0.08 -0.32 -0.69 0.00 0.00 174.62 173.42 1yhq s MET 20 N -1.43 3.25 -0.24 4.92 1.75 -1.26 -0.36 119.30 125.93 1yhq s MET 20 Ca -0.00 -0.70 -0.13 0.00 -1.25 0.00 0.00 55.69 53.61 1yhq s MET 20 Cb -0.09 -2.92 -0.04 0.00 2.84 0.00 0.00 34.83 34.62 1yhq s MET 20 CO 0.02 -0.22 0.30 0.12 -0.65 0.00 0.00 175.02 174.59 1yhq s PHE 21 N 1.43 3.31 -0.42 4.11 5.36 0.20 -4.93 117.98 127.04 1yhq s PHE 21 Ca 0.05 0.39 -0.18 0.00 -0.96 0.00 0.00 56.93 56.24 1yhq s PHE 21 Cb -0.14 -2.44 0.02 0.00 -0.34 0.00 0.00 43.02 40.11 1yhq s PHE 21 CO -0.05 -0.06 0.47 0.08 -1.46 0.00 0.00 175.22 174.20 1yhq s VAL 22 N 1.47 5.04 0.88 3.12 1.01 -1.26 -1.44 120.40 129.22 1yhq s VAL 22 Ca 0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1yhq s VAL 22 Cb -0.15 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.30 1yhq s VAL 22 CO 0.08 -0.43 1.11 -1.00 0.00 0.00 0.00 175.10 174.85 1yhq s HIS 23 N 2.26 2.09 0.19 5.22 0.09 -0.02 -4.91 115.29 120.21 1yhq s HIS 23 Ca 0.14 1.55 -0.12 0.00 -0.00 0.00 0.00 55.06 56.63 1yhq s HIS 23 Cb -0.16 -3.18 0.19 0.00 -0.00 0.00 0.00 32.58 29.43 1yhq s HIS 23 CO 0.14 -2.45 1.76 -0.22 -0.00 0.00 0.00 174.74 173.98 1yhq h LYS 24 N -1.60 0.41 0.00 1.40 3.64 -1.97 -1.54 116.57 116.91 1yhq h LYS 24 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1yhq h LYS 24 Cb 1.26 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1yhq h LYS 24 CO 0.48 0.27 0.00 -0.40 -2.27 0.00 0.00 179.45 177.54 1yhq n ASP 25 N -4.96 0.61 0.00 4.20 3.85 -1.26 -4.86 116.55 114.13 1yhq n ASP 25 Ca 0.06 0.65 0.00 0.00 -0.71 0.00 0.00 54.79 54.79 1yhq n ASP 25 Cb 0.20 -0.78 0.00 0.00 -1.35 0.00 0.00 41.12 39.19 1yhq n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yhq n GLY 26 N 0.03 1.70 3.63 6.12 0.00 -0.58 -5.10 105.19 110.99 1yhq n GLY 26 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1yhq n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq n ALA 27 N -0.52 -1.09 -3.08 4.61 0.00 -1.26 -4.67 120.51 114.49 1yhq n ALA 27 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.67 1yhq n ALA 27 Cb 0.00 -2.13 -0.16 0.00 0.00 0.00 0.00 19.45 17.16 1yhq n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1yhq s THR 28 N -2.58 0.86 -0.16 0.00 2.01 -1.26 -0.84 115.64 113.67 1yhq s THR 28 Ca 0.65 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1yhq s THR 28 Cb -0.23 -0.77 0.04 0.00 0.01 0.00 0.00 72.50 71.55 1yhq s THR 28 CO 0.59 0.27 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.81 1yhq s THR 29 N 0.25 1.35 -0.28 -0.82 2.01 -0.52 -4.99 115.64 112.65 1yhq s THR 29 Ca -0.05 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 1yhq s THR 29 Cb -0.10 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1yhq s THR 29 CO 0.01 0.25 0.58 -1.00 -0.69 0.00 0.00 174.62 173.77 1yhq s HIS 30 N 1.54 3.25 0.04 4.92 3.76 -1.26 -0.62 115.29 126.91 1yhq s HIS 30 Ca 0.02 0.64 0.02 0.00 -0.15 0.00 0.00 55.06 55.58 1yhq s HIS 30 Cb -0.15 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 1yhq s HIS 30 CO -0.09 -0.37 0.08 -0.06 -0.85 0.00 0.00 174.74 173.45 1yhq s PHE 31 N 2.47 3.22 -0.49 1.40 0.40 0.52 -1.15 117.98 124.35 1yhq s PHE 31 Ca 0.24 0.13 0.23 0.00 -0.60 0.00 0.00 56.93 56.92 1yhq s PHE 31 Cb -0.15 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.72 1yhq s PHE 31 CO 0.10 0.53 0.99 0.00 0.70 0.00 0.00 175.22 177.54 1yhq s SER 33 N -4.25 -0.04 0.10 0.00 1.04 -1.26 -4.36 113.70 104.93 1yhq s SER 33 Ca 0.02 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 1yhq s SER 33 Cb 0.13 0.63 -0.15 0.00 0.10 0.00 0.00 66.02 66.74 1yhq s SER 33 CO 0.81 -1.24 1.31 0.77 0.98 0.00 0.00 173.24 175.87 1yhq h SER 34 N 2.00 0.95 -0.63 7.02 4.64 -1.99 -2.86 113.55 122.68 1yhq h SER 34 Ca -0.28 -0.62 0.13 0.00 -0.47 0.00 0.00 61.79 60.56 1yhq h SER 34 Cb 1.23 -0.28 -0.11 0.00 -0.31 0.00 0.00 62.40 62.93 1yhq h SER 34 CO 0.35 1.42 -0.05 0.50 -0.87 0.00 0.00 176.83 178.17 1yhq h LYS 35 N 0.55 0.07 -0.23 4.77 3.64 -1.99 0.24 116.57 123.62 1yhq h LYS 35 Ca -0.05 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1yhq h LYS 35 Cb 1.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1yhq h LYS 35 CO 0.16 0.05 -0.10 0.00 -2.27 0.00 0.00 179.45 177.28 1yhq h GLU 37 N 0.19 -0.18 -0.52 0.00 5.08 -1.07 -1.86 114.58 116.23 1yhq h GLU 37 Ca 0.05 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1yhq h GLU 37 Cb 0.60 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1yhq h GLU 37 CO 0.03 -0.12 0.23 -0.91 -1.00 0.00 0.00 179.01 177.24 1yhq h ASN 38 N -0.18 0.67 -0.06 1.42 2.35 -0.54 -1.27 115.58 117.96 1yhq h ASN 38 Ca 0.10 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1yhq h ASN 38 Cb 0.33 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1yhq h ASN 38 CO -0.26 0.59 -0.35 0.78 -1.65 0.00 0.00 177.43 176.54 1yhq h ASN 39 N 0.74 0.58 -0.53 5.81 4.21 -1.00 -2.62 115.58 122.77 1yhq h ASN 39 Ca 0.18 -0.24 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 1yhq h ASN 39 Cb 0.11 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.13 1yhq h ASN 39 CO -0.02 0.88 0.02 0.00 -1.29 0.00 0.00 177.43 177.02 1yhq h ALA 40 N 1.15 0.71 0.00 -0.83 0.00 -0.75 -2.19 119.26 117.35 1yhq h ALA 40 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1yhq h ALA 40 Cb 0.83 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1yhq h ALA 40 CO 0.07 0.51 -0.03 -0.44 0.00 0.00 0.00 179.25 179.36 1yhq h ASP 41 N 0.79 0.00 -0.01 0.00 3.32 -1.00 0.26 116.42 119.77 1yhq h ASP 41 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1yhq h ASP 41 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1yhq h ASP 41 CO 0.02 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.75 1yhq n LEU 42 N -3.34 0.33 0.00 1.55 4.77 -0.85 -4.87 117.00 114.58 1yhq n LEU 42 Ca -0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1yhq n LEU 42 Cb 0.15 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1yhq n LEU 42 CO 0.25 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1yhq n GLY 43 N 0.99 1.12 3.77 -0.72 0.00 0.90 -5.02 105.19 106.23 1yhq n GLY 43 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1yhq n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yhq s ARG 44 N -0.10 3.83 -0.17 1.61 0.52 -1.05 -5.01 118.95 118.59 1yhq s ARG 44 Ca 0.00 1.81 -0.05 0.00 -0.52 0.00 0.00 55.73 56.97 1yhq s ARG 44 Cb 0.00 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 1yhq s ARG 44 CO 0.00 -0.50 -0.01 -1.21 0.02 0.00 0.00 175.30 173.61 1yhq s GLU 45 N -2.58 3.76 0.40 3.54 2.02 -1.26 -4.40 118.70 120.18 1yhq s GLU 45 Ca 0.62 -0.47 0.24 0.00 0.02 0.00 0.00 54.97 55.38 1yhq s GLU 45 Cb -0.30 -3.01 1.30 0.00 0.10 0.00 0.00 34.13 32.23 1yhq s GLU 45 CO 0.36 0.24 1.64 0.00 0.02 0.00 0.00 175.26 177.52 1yhq h ALA 46 N 6.75 2.44 0.00 5.21 0.00 -1.95 0.13 119.26 131.83 1yhq h ALA 46 Ca -0.33 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1yhq h ALA 46 Cb 1.18 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1yhq h ALA 46 CO 0.65 -1.06 -0.09 0.00 0.00 0.00 0.00 179.25 178.75 1yhq h ARG 47 N 0.16 0.00 -0.01 0.00 3.08 -1.91 -2.37 114.38 113.34 1yhq h ARG 47 Ca 0.78 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.83 1yhq h ARG 47 Cb 2.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.26 1yhq h ARG 47 CO -0.49 0.09 -0.05 0.09 -1.07 0.00 0.00 179.97 178.55 1yhq n ASN 48 N -4.12 1.10 -4.32 7.04 3.02 0.44 -4.50 115.26 113.90 1yhq n ASN 48 Ca -0.03 -1.25 -0.39 0.00 -0.03 0.00 0.00 54.58 52.89 1yhq n ASN 48 Cb 0.17 0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.23 1yhq n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1yhq s LEU 49 N -2.12 4.55 0.57 3.41 1.43 -0.89 -4.99 118.68 120.64 1yhq s LEU 49 Ca 0.37 -1.10 0.32 0.00 -1.03 0.00 0.00 54.13 52.68 1yhq s LEU 49 Cb 0.21 -1.94 1.44 0.00 0.03 0.00 0.00 46.19 45.93 1yhq s LEU 49 CO 0.38 -0.37 1.80 -0.33 0.23 0.00 0.00 176.35 178.07 1yhq h GLU 50 N 8.33 0.00 0.00 1.70 5.08 -1.85 -1.04 114.58 126.79 1yhq h GLU 50 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1yhq h GLU 50 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1yhq h GLU 50 CO 0.64 0.00 -0.08 0.11 -1.00 0.00 0.00 179.01 178.67 1yhq h TRP 51 N 0.00 0.00 -3.81 4.33 5.08 -1.94 -3.42 115.95 116.19 1yhq h TRP 51 Ca 0.39 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.86 1yhq h TRP 51 Cb 1.81 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.98 1yhq h TRP 51 CO 0.00 0.00 0.45 0.99 -1.28 0.00 0.00 178.44 178.60 1yhq s THR 52 N -3.12 3.60 0.11 0.12 2.01 -0.39 -4.95 115.64 113.02 1yhq s THR 52 Ca 0.10 1.57 -0.21 0.00 0.31 0.00 0.00 61.69 63.46 1yhq s THR 52 Cb 0.12 -3.98 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 1yhq s THR 52 CO 0.62 0.34 1.75 0.44 -0.69 0.00 0.00 174.62 177.08 1yhq h ASP 53 N 3.73 0.07 -0.73 3.53 3.32 -1.64 -0.20 116.42 124.51 1yhq h ASP 53 Ca -0.47 0.01 0.11 0.00 0.02 0.00 0.00 57.03 56.70 1yhq h ASP 53 Cb 1.21 -0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 1yhq h ASP 53 CO 0.67 0.06 -0.42 0.74 -1.72 0.00 0.00 179.24 178.57 1yhq h THR 54 N 0.13 0.07 -0.00 0.35 2.02 -1.28 -0.23 112.91 113.97 1yhq h THR 54 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1yhq h THR 54 Cb 0.03 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1yhq h THR 54 CO -0.05 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.79 1yhq h ALA 55 N 0.90 -0.05 0.00 6.16 0.00 -1.57 -3.47 119.26 121.24 1yhq h ALA 55 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1yhq h ALA 55 Cb 0.56 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1yhq h ALA 55 CO -0.79 -0.54 0.00 0.54 0.00 0.00 0.00 179.25 178.46