#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yi2 s GLU 5 N 0.00 1.86 -0.06 5.56 2.12 -1.26 -1.52 118.70 125.39 1yi2 s GLU 5 Ca 0.00 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 1yi2 s GLU 5 Cb 0.00 -1.57 -0.08 0.00 0.26 0.00 0.00 34.13 32.74 1yi2 s GLU 5 CO 0.00 0.18 2.06 0.00 -0.54 0.00 0.00 175.26 176.96 1yi2 n ASP 7 N 8.94 0.00 0.00 0.00 8.00 -0.04 -1.60 116.55 131.85 1yi2 n ASP 7 Ca 0.24 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1yi2 n ASP 7 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1yi2 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yi2 n TYR 8 N -0.87 0.00 0.08 1.24 9.36 -1.26 -4.85 117.16 120.85 1yi2 n TYR 8 Ca 0.01 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.13 1yi2 n TYR 8 Cb 0.01 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.59 1yi2 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1yi2 n GLY 10 N 1.42 0.81 3.68 0.00 0.00 -0.63 -0.07 105.19 110.40 1yi2 n GLY 10 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1yi2 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yi2 s THR 11 N -2.13 2.23 0.05 2.61 -4.23 -1.26 -4.49 115.64 108.41 1yi2 s THR 11 Ca 0.00 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.29 1yi2 s THR 11 Cb 0.00 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1yi2 s THR 11 CO 0.00 -0.10 0.94 -1.81 -0.54 0.00 0.00 174.62 173.12 1yi2 s ASP 12 N -3.40 7.40 -0.44 3.99 1.01 -1.26 -1.15 116.67 122.81 1yi2 s ASP 12 Ca 0.65 1.68 -0.28 0.00 0.71 0.00 0.00 52.55 55.31 1yi2 s ASP 12 Cb -0.19 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.20 1yi2 s ASP 12 CO 0.58 -0.15 1.05 -0.63 0.21 0.00 0.00 175.17 176.23 1yi2 s ILE 13 N 0.50 4.36 -0.14 0.77 1.01 -0.58 -4.87 121.20 122.24 1yi2 s ILE 13 Ca 0.48 1.18 -0.37 0.00 0.00 0.00 0.00 60.65 61.94 1yi2 s ILE 13 Cb -0.22 -4.51 -0.14 0.00 0.01 0.00 0.00 42.46 37.61 1yi2 s ILE 13 CO 0.28 -0.84 1.78 1.21 0.00 0.00 0.00 174.94 177.37 1yi2 n GLU 14 N 7.41 1.70 -1.61 2.79 4.07 -1.26 -4.49 120.64 129.24 1yi2 n GLU 14 Ca 0.10 0.62 -0.42 0.00 -0.06 0.00 0.00 57.16 57.40 1yi2 n GLU 14 Cb 0.48 -2.38 0.00 0.00 -0.06 0.00 0.00 31.44 29.48 1yi2 n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1yi2 n PRO 15 N 5.71 1.46 -2.04 5.31 -0.04 -1.26 -2.31 135.00 141.83 1yi2 n PRO 15 Ca 0.24 0.52 -0.02 0.00 -0.04 0.00 0.00 63.50 64.20 1yi2 n PRO 15 Cb 0.22 -2.02 -0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1yi2 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yi2 n GLY 16 N 1.14 0.30 3.43 0.55 0.00 -1.26 -5.03 105.19 104.32 1yi2 n GLY 16 Ca 0.09 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1yi2 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yi2 s THR 17 N -2.10 0.02 0.00 2.61 2.01 -0.98 -5.16 115.64 112.04 1yi2 s THR 17 Ca 0.00 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 60.45 1yi2 s THR 17 Cb -0.00 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.32 1yi2 s THR 17 CO 0.00 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 1yi2 n GLY 18 N -0.31 -1.35 3.22 4.40 0.00 -1.26 -4.90 105.19 104.98 1yi2 n GLY 18 Ca -0.02 -1.59 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 1yi2 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yi2 s THR 19 N -2.03 1.32 -0.19 2.61 2.01 -1.00 -5.01 115.64 113.35 1yi2 s THR 19 Ca 0.00 -1.45 0.01 0.00 0.31 0.00 0.00 61.69 60.56 1yi2 s THR 19 Cb 0.00 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.24 1yi2 s THR 19 CO 0.00 -0.21 -0.19 -0.32 -0.69 0.00 0.00 174.62 173.21 1yi2 s MET 20 N -1.96 2.85 -0.27 4.92 1.75 -1.26 -0.53 119.30 124.81 1yi2 s MET 20 Ca 0.02 -0.87 -0.14 0.00 -1.25 0.00 0.00 55.69 53.45 1yi2 s MET 20 Cb -0.09 -2.58 -0.04 0.00 2.84 0.00 0.00 34.83 34.96 1yi2 s MET 20 CO 0.03 -0.26 0.33 0.12 -0.65 0.00 0.00 175.02 174.59 1yi2 s PHE 21 N 1.28 3.25 -0.39 4.11 5.36 -0.04 -4.93 117.98 126.63 1yi2 s PHE 21 Ca 0.03 0.36 -0.19 0.00 -0.96 0.00 0.00 56.93 56.17 1yi2 s PHE 21 Cb -0.14 -2.52 0.01 0.00 -0.34 0.00 0.00 43.02 40.03 1yi2 s PHE 21 CO -0.12 -0.19 0.58 0.08 -1.46 0.00 0.00 175.22 174.12 1yi2 s VAL 22 N 1.91 4.93 0.96 3.12 1.01 -1.26 -1.61 120.40 129.45 1yi2 s VAL 22 Ca 0.13 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 1yi2 s VAL 22 Cb -0.16 -4.08 0.16 0.00 0.00 0.00 0.00 36.38 32.31 1yi2 s VAL 22 CO 0.10 -0.39 1.09 -1.00 0.00 0.00 0.00 175.10 174.90 1yi2 s HIS 23 N 2.60 2.09 0.17 5.22 0.09 0.59 -4.90 115.29 121.14 1yi2 s HIS 23 Ca 0.21 1.23 -0.14 0.00 -0.00 0.00 0.00 55.06 56.36 1yi2 s HIS 23 Cb -0.15 -3.19 0.13 0.00 -0.00 0.00 0.00 32.58 29.38 1yi2 s HIS 23 CO 0.16 -2.73 1.73 -0.22 -0.00 0.00 0.00 174.74 173.67 1yi2 h LYS 24 N -1.79 0.23 0.00 1.40 3.64 -1.97 -1.81 116.57 116.27 1yi2 h LYS 24 Ca -0.52 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1yi2 h LYS 24 Cb 1.30 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1yi2 h LYS 24 CO 0.54 0.15 0.00 -0.40 -2.27 0.00 0.00 179.45 177.47 1yi2 n ASP 25 N -5.08 0.00 0.00 4.20 3.85 -1.26 -4.86 116.55 113.40 1yi2 n ASP 25 Ca 0.04 0.47 0.00 0.00 -0.71 0.00 0.00 54.79 54.59 1yi2 n ASP 25 Cb 0.20 -0.49 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 1yi2 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yi2 n GLY 26 N 0.56 2.06 3.54 6.12 0.00 -0.68 -5.09 105.19 111.70 1yi2 n GLY 26 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1yi2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yi2 n ALA 27 N -0.53 -0.70 -3.41 4.61 0.00 -1.26 -4.61 120.51 114.61 1yi2 n ALA 27 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 1yi2 n ALA 27 Cb 0.00 -1.97 -0.17 0.00 0.00 0.00 0.00 19.45 17.31 1yi2 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1yi2 s THR 28 N -1.73 1.35 -0.19 0.00 2.01 -1.26 -0.30 115.64 115.52 1yi2 s THR 28 Ca 0.71 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1yi2 s THR 28 Cb -0.39 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 70.95 1yi2 s THR 28 CO 0.52 0.40 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.86 1yi2 s THR 29 N 0.60 1.56 -0.17 -0.82 2.01 -0.63 -4.99 115.64 113.20 1yi2 s THR 29 Ca -0.15 -0.91 -0.20 0.00 0.31 0.00 0.00 61.69 60.74 1yi2 s THR 29 Cb -0.16 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1yi2 s THR 29 CO 0.05 0.20 0.56 -1.00 -0.69 0.00 0.00 174.62 173.73 1yi2 s HIS 30 N 1.44 3.43 0.11 4.92 3.76 -1.26 -0.86 115.29 126.83 1yi2 s HIS 30 Ca -0.00 0.89 0.07 0.00 -0.15 0.00 0.00 55.06 55.87 1yi2 s HIS 30 Cb -0.16 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.80 1yi2 s HIS 30 CO -0.08 -0.04 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.64 1yi2 s PHE 31 N 1.38 2.79 -0.66 1.40 0.40 0.32 -0.86 117.98 122.74 1yi2 s PHE 31 Ca 0.27 -0.13 0.23 0.00 -0.60 0.00 0.00 56.93 56.69 1yi2 s PHE 31 Cb -0.16 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 1yi2 s PHE 31 CO 0.11 0.45 0.97 0.00 0.70 0.00 0.00 175.22 177.44 1yi2 s SER 33 N -3.72 -0.03 0.11 0.00 1.04 -1.26 -4.39 113.70 105.46 1yi2 s SER 33 Ca 0.04 -0.70 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 1yi2 s SER 33 Cb 0.15 0.55 -0.12 0.00 0.10 0.00 0.00 66.02 66.70 1yi2 s SER 33 CO 0.82 -1.08 1.35 0.77 0.98 0.00 0.00 173.24 176.08 1yi2 h SER 34 N 2.00 0.96 -0.71 7.02 4.64 -1.98 -2.83 113.55 122.64 1yi2 h SER 34 Ca -0.28 -0.58 0.16 0.00 -0.47 0.00 0.00 61.79 60.62 1yi2 h SER 34 Cb 1.23 -0.28 -0.12 0.00 -0.31 0.00 0.00 62.40 62.91 1yi2 h SER 34 CO 0.35 1.38 0.01 0.50 -0.87 0.00 0.00 176.83 178.20 1yi2 h LYS 35 N 0.60 0.11 0.10 4.77 3.64 -1.98 0.59 116.57 124.40 1yi2 h LYS 35 Ca -0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1yi2 h LYS 35 Cb 1.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1yi2 h LYS 35 CO 0.14 0.07 -0.05 0.00 -2.27 0.00 0.00 179.45 177.35 1yi2 h GLU 37 N -0.65 0.21 -0.29 0.00 5.08 -1.05 0.56 114.58 118.43 1yi2 h GLU 37 Ca -0.01 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1yi2 h GLU 37 Cb 0.52 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1yi2 h GLU 37 CO 0.02 0.14 -0.37 -0.91 -1.00 0.00 0.00 179.01 176.89 1yi2 h ASN 38 N 0.22 0.83 -0.39 1.42 2.35 0.19 -1.48 115.58 118.71 1yi2 h ASN 38 Ca 0.48 -0.50 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1yi2 h ASN 38 Cb 0.90 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1yi2 h ASN 38 CO -0.61 1.16 0.09 0.78 -1.65 0.00 0.00 177.43 177.20 1yi2 h ASN 39 N 0.52 0.67 0.07 5.81 4.21 -0.16 -1.98 115.58 124.71 1yi2 h ASN 39 Ca 0.04 -0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.42 1yi2 h ASN 39 Cb 0.96 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.99 1yi2 h ASN 39 CO 0.09 0.68 -0.03 0.00 -1.29 0.00 0.00 177.43 176.88 1yi2 h ALA 40 N 1.41 -0.09 -0.17 -0.83 0.00 -0.78 -2.17 119.26 116.62 1yi2 h ALA 40 Ca 0.15 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1yi2 h ALA 40 Cb 0.30 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1yi2 h ALA 40 CO 0.00 -0.51 0.18 -0.44 0.00 0.00 0.00 179.25 178.49 1yi2 h ASP 41 N -0.17 0.00 0.20 0.00 3.32 -0.82 0.60 116.42 119.55 1yi2 h ASP 41 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1yi2 h ASP 41 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1yi2 h ASP 41 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 1yi2 n LEU 42 N -3.85 0.00 0.00 1.55 4.77 -0.79 -4.83 117.00 113.85 1yi2 n LEU 42 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1yi2 n LEU 42 Cb 0.30 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1yi2 n LEU 42 CO 0.28 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1yi2 n GLY 43 N 0.54 0.54 3.85 -0.72 0.00 0.21 -5.03 105.19 104.57 1yi2 n GLY 43 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1yi2 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yi2 s ARG 44 N -0.08 3.89 -0.15 1.61 0.52 -1.04 -5.04 118.95 118.67 1yi2 s ARG 44 Ca 0.00 0.92 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1yi2 s ARG 44 Cb 0.00 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 1yi2 s ARG 44 CO 0.00 -0.32 -0.14 -1.21 0.02 0.00 0.00 175.30 173.65 1yi2 s GLU 45 N -4.26 3.27 0.49 3.54 2.02 -1.26 -4.47 118.70 118.03 1yi2 s GLU 45 Ca 0.58 -0.73 0.40 0.00 0.02 0.00 0.00 54.97 55.24 1yi2 s GLU 45 Cb -0.10 -2.64 1.59 0.00 0.10 0.00 0.00 34.13 33.08 1yi2 s GLU 45 CO 0.35 0.07 1.59 0.00 0.02 0.00 0.00 175.26 177.29 1yi2 h ALA 46 N 7.15 3.25 0.00 5.21 0.00 -1.94 0.11 119.26 133.04 1yi2 h ALA 46 Ca -0.30 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1yi2 h ALA 46 Cb 1.20 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1yi2 h ALA 46 CO 0.56 -1.87 -0.12 0.00 0.00 0.00 0.00 179.25 177.83 1yi2 h ARG 47 N 0.02 0.00 -0.01 0.00 3.08 -1.94 -2.61 114.38 112.92 1yi2 h ARG 47 Ca 0.88 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.93 1yi2 h ARG 47 Cb 3.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.20 1yi2 h ARG 47 CO -0.26 0.12 -0.46 0.09 -1.07 0.00 0.00 179.97 178.39 1yi2 n ASN 48 N -3.84 1.13 -4.52 7.04 3.02 0.39 -4.56 115.26 113.92 1yi2 n ASN 48 Ca -0.02 -0.90 -0.41 0.00 -0.03 0.00 0.00 54.58 53.22 1yi2 n ASN 48 Cb 0.21 0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 1yi2 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1yi2 s LEU 49 N -2.67 4.63 0.46 3.41 1.43 -0.98 -4.98 118.68 119.97 1yi2 s LEU 49 Ca 0.18 -0.47 0.16 0.00 -1.03 0.00 0.00 54.13 52.98 1yi2 s LEU 49 Cb 0.18 -2.23 1.13 0.00 0.03 0.00 0.00 46.19 45.30 1yi2 s LEU 49 CO 0.62 -0.34 2.00 -0.33 0.23 0.00 0.00 176.35 178.53 1yi2 h GLU 50 N 8.53 0.27 0.00 1.70 5.08 -1.87 -2.21 114.58 126.08 1yi2 h GLU 50 Ca -0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1yi2 h GLU 50 Cb 1.14 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1yi2 h GLU 50 CO 0.69 0.18 0.00 0.11 -1.00 0.00 0.00 179.01 178.98 1yi2 h TRP 51 N 0.28 0.00 -3.10 4.33 5.08 -1.93 -3.41 115.95 117.19 1yi2 h TRP 51 Ca 0.24 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.68 1yi2 h TRP 51 Cb 0.58 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.75 1yi2 h TRP 51 CO -0.00 0.00 0.67 0.99 -1.28 0.00 0.00 178.44 178.81 1yi2 s THR 52 N -3.48 3.53 0.27 0.12 2.01 -0.83 -4.92 115.64 112.33 1yi2 s THR 52 Ca 0.03 1.11 -0.01 0.00 0.31 0.00 0.00 61.69 63.13 1yi2 s THR 52 Cb 0.09 -3.71 0.25 0.00 0.01 0.00 0.00 72.50 69.14 1yi2 s THR 52 CO 0.53 0.09 1.81 0.44 -0.69 0.00 0.00 174.62 176.80 1yi2 h ASP 53 N 6.66 0.77 -0.05 3.53 5.19 -1.78 -0.07 116.42 130.67 1yi2 h ASP 53 Ca -0.42 0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.05 1yi2 h ASP 53 Cb 1.21 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 1yi2 h ASP 53 CO 0.84 0.40 -0.09 0.74 -3.12 0.00 0.00 179.24 178.00 1yi2 h THR 54 N 0.85 0.00 -0.76 0.35 2.02 -0.79 -1.49 112.91 113.09 1yi2 h THR 54 Ca 0.46 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.81 1yi2 h THR 54 Cb 0.49 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.79 1yi2 h THR 54 CO -0.28 0.00 0.18 0.00 0.37 0.00 0.00 175.52 175.78 1yi2 h ALA 55 N -1.14 0.99 0.00 6.16 0.00 -1.50 -3.49 119.26 120.28 1yi2 h ALA 55 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1yi2 h ALA 55 Cb 0.11 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1yi2 h ALA 55 CO -0.09 -0.36 0.00 0.54 0.00 0.00 0.00 179.25 179.34