#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl s GLU 5 N 0.00 0.55 -0.03 5.56 2.12 -1.26 -2.03 118.70 123.61 2otl s GLU 5 Ca 0.00 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 2otl s GLU 5 Cb 0.00 -0.56 -0.07 0.00 0.26 0.00 0.00 34.13 33.76 2otl s GLU 5 CO 0.00 0.06 1.90 0.00 -0.54 0.00 0.00 175.26 176.68 2otl n ASP 7 N 7.95 0.00 0.00 0.00 8.00 -0.16 -1.87 116.55 130.46 2otl n ASP 7 Ca 0.20 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2otl n ASP 7 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2otl n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otl n TYR 8 N -0.90 0.00 0.09 1.24 9.36 -1.26 -4.87 117.16 120.82 2otl n TYR 8 Ca 0.03 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.10 2otl n TYR 8 Cb 0.01 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.59 2otl n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2otl n GLY 10 N 1.51 0.45 3.78 0.00 0.00 -0.78 0.18 105.19 110.33 2otl n GLY 10 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2otl n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2otl s THR 11 N -2.00 2.88 -0.07 2.61 -4.23 -1.26 -4.58 115.64 108.99 2otl s THR 11 Ca 0.00 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 2otl s THR 11 Cb 0.00 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 2otl s THR 11 CO 0.00 -0.37 1.19 -1.81 -0.54 0.00 0.00 174.62 173.09 2otl s ASP 12 N -3.78 7.05 -0.39 3.99 1.01 -1.26 -1.52 116.67 121.77 2otl s ASP 12 Ca 0.62 1.79 -0.29 0.00 0.71 0.00 0.00 52.55 55.38 2otl s ASP 12 Cb -0.15 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.23 2otl s ASP 12 CO 0.55 -0.59 1.38 -0.63 0.21 0.00 0.00 175.17 176.09 2otl s ILE 13 N 2.31 3.96 -0.10 0.77 1.01 -0.86 -4.90 121.20 123.40 2otl s ILE 13 Ca 0.55 1.00 -0.36 0.00 0.00 0.00 0.00 60.65 61.84 2otl s ILE 13 Cb -0.24 -4.21 -0.14 0.00 0.01 0.00 0.00 42.46 37.88 2otl s ILE 13 CO 0.21 -0.71 1.75 1.21 0.00 0.00 0.00 174.94 177.40 2otl n GLU 14 N 7.92 1.78 -1.63 2.79 4.07 -1.26 -4.51 120.64 129.80 2otl n GLU 14 Ca 0.16 0.65 -0.44 0.00 -0.06 0.00 0.00 57.16 57.47 2otl n GLU 14 Cb 0.48 -2.42 -0.01 0.00 -0.06 0.00 0.00 31.44 29.43 2otl n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2otl n PRO 15 N 5.48 1.64 -2.55 5.31 -0.04 -1.26 -2.90 135.00 140.67 2otl n PRO 15 Ca 0.23 0.57 -0.03 0.00 -0.04 0.00 0.00 63.50 64.23 2otl n PRO 15 Cb 0.24 -2.02 0.01 0.00 -0.04 0.00 0.00 33.50 31.68 2otl n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2otl n GLY 16 N 1.05 0.67 3.64 0.55 0.00 -1.26 -5.05 105.19 104.79 2otl n GLY 16 Ca 0.08 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 2otl n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otl s THR 17 N -2.89 0.00 0.00 2.61 2.01 -1.14 -5.17 115.64 111.06 2otl s THR 17 Ca 0.07 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 60.76 2otl s THR 17 Cb -0.03 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.34 2otl s THR 17 CO 0.08 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 2otl n GLY 18 N -0.39 -0.84 3.05 4.40 0.00 -1.26 -4.94 105.19 105.19 2otl n GLY 18 Ca -0.02 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 2otl n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otl s THR 19 N -1.31 0.41 -0.31 2.61 2.01 -1.06 -5.02 115.64 112.98 2otl s THR 19 Ca 0.00 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 60.92 2otl s THR 19 Cb 0.00 -0.60 0.08 0.00 0.01 0.00 0.00 72.50 71.99 2otl s THR 19 CO 0.00 -0.47 -0.01 -0.32 -0.69 0.00 0.00 174.62 173.13 2otl s MET 20 N -1.76 1.92 -0.31 4.92 1.75 -1.26 -0.73 119.30 123.82 2otl s MET 20 Ca -0.10 -1.60 -0.27 0.00 -1.25 0.00 0.00 55.69 52.47 2otl s MET 20 Cb -0.09 -3.09 0.01 0.00 2.84 0.00 0.00 34.83 34.51 2otl s MET 20 CO -0.01 -0.76 0.98 0.12 -0.65 0.00 0.00 175.02 174.70 2otl s PHE 21 N 1.03 3.17 -0.22 4.11 5.36 -0.05 -4.90 117.98 126.49 2otl s PHE 21 Ca 0.01 1.08 -0.21 0.00 -0.96 0.00 0.00 56.93 56.84 2otl s PHE 21 Cb -0.20 -3.53 -0.02 0.00 -0.34 0.00 0.00 43.02 38.93 2otl s PHE 21 CO -0.06 -0.70 0.67 0.08 -1.46 0.00 0.00 175.22 173.75 2otl s VAL 22 N 3.42 4.98 0.70 3.12 1.01 -1.26 -1.93 120.40 130.43 2otl s VAL 22 Ca 0.41 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.52 2otl s VAL 22 Cb -0.13 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.29 2otl s VAL 22 CO 0.14 0.06 1.09 -1.00 0.00 0.00 0.00 175.10 175.39 2otl s HIS 23 N 2.19 3.32 0.15 5.22 0.09 0.15 -4.95 115.29 121.47 2otl s HIS 23 Ca 0.29 1.11 -0.20 0.00 -0.00 0.00 0.00 55.06 56.26 2otl s HIS 23 Cb -0.16 -3.01 0.05 0.00 -0.00 0.00 0.00 32.58 29.46 2otl s HIS 23 CO 0.10 -1.15 1.65 -0.22 -0.00 0.00 0.00 174.74 175.11 2otl h LYS 24 N -0.64 -0.13 0.00 1.40 3.64 -1.97 -0.53 116.57 118.34 2otl h LYS 24 Ca -0.45 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2otl h LYS 24 Cb 1.24 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2otl h LYS 24 CO 0.63 -0.09 0.00 0.38 -2.27 0.00 0.00 179.45 178.10 2otl h ASP 25 N -0.14 0.00 0.00 4.20 -0.00 -2.04 -3.45 116.42 114.99 2otl h ASP 25 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.19 2otl h ASP 25 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.71 2otl h ASP 25 CO -0.38 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.47 2otl n GLY 26 N -0.39 1.08 3.61 7.15 0.00 -0.21 -5.11 105.19 111.32 2otl n GLY 26 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2otl n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otl s ALA 27 N -2.00 0.83 -0.06 4.61 0.00 -1.26 -4.66 121.76 119.22 2otl s ALA 27 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 2otl s ALA 27 Cb 0.00 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.75 2otl s ALA 27 CO 0.00 -3.14 -0.00 0.99 0.00 0.00 0.00 175.76 173.61 2otl s THR 28 N -2.58 0.35 -0.22 0.00 2.01 -1.26 -0.68 115.64 113.26 2otl s THR 28 Ca 0.67 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.78 2otl s THR 28 Cb -0.24 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 71.84 2otl s THR 28 CO 0.60 0.23 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.74 2otl s THR 29 N 1.63 2.02 -0.27 -0.82 2.01 -0.81 -5.01 115.64 114.39 2otl s THR 29 Ca -0.00 -1.29 -0.21 0.00 0.31 0.00 0.00 61.69 60.50 2otl s THR 29 Cb -0.13 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 2otl s THR 29 CO -0.04 0.18 0.64 -1.00 -0.69 0.00 0.00 174.62 173.72 2otl s HIS 30 N 1.22 3.26 0.01 4.92 3.76 -1.26 -0.87 115.29 126.34 2otl s HIS 30 Ca -0.03 0.77 0.00 0.00 -0.15 0.00 0.00 55.06 55.65 2otl s HIS 30 Cb -0.17 -2.91 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 2otl s HIS 30 CO -0.08 -0.38 0.08 -0.06 -0.85 0.00 0.00 174.74 173.45 2otl s PHE 31 N 2.57 3.25 -0.38 1.40 0.40 0.09 -0.99 117.98 124.32 2otl s PHE 31 Ca 0.26 0.17 0.23 0.00 -0.60 0.00 0.00 56.93 56.99 2otl s PHE 31 Cb -0.15 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 2otl s PHE 31 CO 0.09 0.54 0.95 0.00 0.70 0.00 0.00 175.22 177.51 2otl s SER 33 N -4.56 -0.24 0.28 0.00 1.04 -1.26 -4.45 113.70 104.50 2otl s SER 33 Ca 0.00 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2otl s SER 33 Cb 0.13 0.55 0.40 0.00 0.10 0.00 0.00 66.02 67.20 2otl s SER 33 CO 0.81 -0.99 1.71 0.77 0.98 0.00 0.00 173.24 176.52 2otl h SER 34 N 2.00 0.45 -0.61 7.02 4.64 -1.98 -2.04 113.55 123.02 2otl h SER 34 Ca -0.23 -0.16 0.09 0.00 -0.47 0.00 0.00 61.79 61.02 2otl h SER 34 Cb 1.24 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 63.14 2otl h SER 34 CO 0.26 0.73 0.23 0.50 -0.87 0.00 0.00 176.83 177.69 2otl h LYS 35 N 0.39 0.41 -0.11 4.77 3.64 -1.98 0.84 116.57 124.53 2otl h LYS 35 Ca 0.05 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2otl h LYS 35 Cb 0.71 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2otl h LYS 35 CO 0.05 0.27 -0.15 0.00 -2.27 0.00 0.00 179.45 177.35 2otl h GLU 37 N -0.13 0.86 -0.09 0.00 5.08 -0.60 -0.04 114.58 119.67 2otl h GLU 37 Ca 0.01 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 2otl h GLU 37 Cb 0.70 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2otl h GLU 37 CO 0.04 0.57 -0.73 -0.91 -1.00 0.00 0.00 179.01 176.98 2otl h ASN 38 N 0.89 0.53 0.24 1.42 2.35 0.70 -1.19 115.58 120.52 2otl h ASN 38 Ca 0.38 -0.35 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 2otl h ASN 38 Cb 0.25 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2otl h ASN 38 CO -0.20 1.09 -0.43 0.78 -1.65 0.00 0.00 177.43 177.02 2otl h ASN 39 N 0.31 0.26 -0.38 5.81 4.21 -0.73 -2.39 115.58 122.66 2otl h ASN 39 Ca -0.03 -0.11 -0.08 0.00 1.21 0.00 0.00 56.30 57.29 2otl h ASN 39 Cb 1.31 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 2otl h ASN 39 CO 0.13 0.66 -0.06 0.00 -1.29 0.00 0.00 177.43 176.86 2otl h ALA 40 N 1.36 0.52 0.00 -0.83 0.00 -0.86 -2.32 119.26 117.13 2otl h ALA 40 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2otl h ALA 40 Cb 0.84 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2otl h ALA 40 CO 0.07 0.35 -0.10 -0.44 0.00 0.00 0.00 179.25 179.13 2otl h ASP 41 N 0.52 0.00 0.26 0.00 3.32 -0.97 -0.16 116.42 119.38 2otl h ASP 41 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2otl h ASP 41 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2otl h ASP 41 CO 0.03 0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.83 2otl n LEU 42 N -3.60 0.00 0.00 1.55 4.77 -0.92 -4.87 117.00 113.93 2otl n LEU 42 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2otl n LEU 42 Cb 0.22 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2otl n LEU 42 CO 0.29 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2otl n GLY 43 N 1.10 0.83 3.75 -0.72 0.00 -0.07 -5.02 105.19 105.06 2otl n GLY 43 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2otl n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otl s ARG 44 N -0.21 4.49 -0.10 1.61 0.52 -0.90 -5.02 118.95 119.34 2otl s ARG 44 Ca 0.00 1.94 -0.11 0.00 -0.52 0.00 0.00 55.73 57.04 2otl s ARG 44 Cb 0.00 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 32.23 2otl s ARG 44 CO 0.00 -0.05 0.26 -1.21 0.02 0.00 0.00 175.30 174.33 2otl s GLU 45 N -0.83 3.87 0.47 3.54 2.02 -1.26 -4.36 118.70 122.15 2otl s GLU 45 Ca 0.50 0.09 0.25 0.00 0.02 0.00 0.00 54.97 55.83 2otl s GLU 45 Cb -0.34 -3.28 1.28 0.00 0.10 0.00 0.00 34.13 31.88 2otl s GLU 45 CO 0.41 0.57 1.85 0.00 0.02 0.00 0.00 175.26 178.10 2otl h ALA 46 N 5.50 2.53 0.00 5.21 0.00 -1.93 -0.81 119.26 129.75 2otl h ALA 46 Ca -0.49 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2otl h ALA 46 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2otl h ALA 46 CO 0.65 -0.83 -0.17 0.00 0.00 0.00 0.00 179.25 178.90 2otl h ARG 47 N 0.22 0.00 0.00 0.00 3.08 -1.89 -2.83 114.38 112.95 2otl h ARG 47 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 2otl h ARG 47 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 2otl h ARG 47 CO -0.12 0.17 -0.43 -0.91 -1.07 0.00 0.00 179.97 177.60 2otl h ASN 48 N 0.00 0.00 -3.85 7.04 2.35 -1.55 -3.42 115.58 116.14 2otl h ASN 48 Ca -0.00 -0.12 -0.64 0.00 -0.55 0.00 0.00 56.30 54.99 2otl h ASN 48 Cb 0.31 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.51 2otl h ASN 48 CO 0.02 0.06 -0.46 -0.76 -1.65 0.00 0.00 177.43 174.64 2otl s LEU 49 N -4.58 4.07 0.22 1.61 1.43 -1.07 -5.00 118.68 115.35 2otl s LEU 49 Ca 0.07 0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 2otl s LEU 49 Cb 0.12 -2.18 0.17 0.00 0.03 0.00 0.00 46.19 44.34 2otl s LEU 49 CO 0.69 -0.09 1.85 -0.33 0.23 0.00 0.00 176.35 178.69 2otl h GLU 50 N 8.35 1.12 -0.04 1.70 5.08 -1.86 -2.93 114.58 126.00 2otl h GLU 50 Ca -0.34 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2otl h GLU 50 Cb 1.18 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2otl h GLU 50 CO 0.57 0.81 0.09 0.11 -1.00 0.00 0.00 179.01 179.59 2otl h TRP 51 N 1.12 0.00 -3.70 4.33 5.08 -1.94 -3.41 115.95 117.43 2otl h TRP 51 Ca 0.29 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.75 2otl h TRP 51 Cb -0.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.15 2otl h TRP 51 CO -0.00 0.00 0.44 0.99 -1.28 0.00 0.00 178.44 178.59 2otl s THR 52 N -4.33 3.79 0.28 0.12 2.01 -1.11 -4.96 115.64 111.43 2otl s THR 52 Ca -0.05 1.69 -0.02 0.00 0.31 0.00 0.00 61.69 63.63 2otl s THR 52 Cb 0.13 -4.08 0.19 0.00 0.01 0.00 0.00 72.50 68.75 2otl s THR 52 CO 0.44 0.36 1.87 0.44 -0.69 0.00 0.00 174.62 177.04 2otl h ASP 53 N 4.40 0.85 -0.74 3.53 5.19 -1.71 -1.49 116.42 126.44 2otl h ASP 53 Ca -0.45 -0.11 0.13 0.00 -0.62 0.00 0.00 57.03 55.98 2otl h ASP 53 Cb 1.21 -0.22 -0.09 0.00 0.18 0.00 0.00 39.33 40.41 2otl h ASP 53 CO 0.69 0.75 0.31 0.74 -3.12 0.00 0.00 179.24 178.61 2otl h THR 54 N 0.93 0.69 -0.13 0.35 2.02 -0.56 -0.05 112.91 116.15 2otl h THR 54 Ca 0.22 -0.16 -0.19 0.00 0.77 0.00 0.00 66.41 67.06 2otl h THR 54 Cb 0.15 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2otl h THR 54 CO -0.02 0.08 -0.69 0.00 0.37 0.00 0.00 175.52 175.27 2otl h ALA 55 N 1.53 0.55 0.00 6.16 0.00 -1.56 -3.46 119.26 122.48 2otl h ALA 55 Ca 0.40 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2otl h ALA 55 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2otl h ALA 55 CO -0.38 0.72 0.00 0.54 0.00 0.00 0.00 179.25 180.13