#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ds3 s ASP 7 N 0.00 6.94 -0.29 4.52 -1.08 -1.26 -4.79 116.67 120.72 1ds3 s ASP 7 Ca 0.00 -2.83 0.11 0.00 -0.52 0.00 0.00 52.55 49.31 1ds3 s ASP 7 Cb 0.00 -2.30 0.58 0.00 -1.46 0.00 0.00 42.92 39.75 1ds3 s ASP 7 CO 0.00 -0.66 1.58 0.00 0.52 0.00 0.00 175.17 176.61 1ds3 h SER 9 N 1.57 0.02 -0.30 0.00 4.64 -2.01 -2.24 113.55 115.24 1ds3 h SER 9 Ca 0.22 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1ds3 h SER 9 Cb 1.89 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.94 1ds3 h SER 9 CO 0.50 0.01 0.08 -0.62 -0.87 0.00 0.00 176.83 175.94 1ds3 n GLU 10 N -4.49 2.35 -4.37 4.77 1.02 -1.26 -4.91 120.64 113.75 1ds3 n GLU 10 Ca 0.01 -1.34 -0.24 0.00 -0.02 0.00 0.00 57.16 55.57 1ds3 n GLU 10 Cb 0.25 -1.74 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 1ds3 n GLU 10 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ds3 s TYR 11 N -1.66 2.52 0.76 -0.32 1.51 -0.84 -4.52 117.35 114.79 1ds3 s TYR 11 Ca 0.24 -0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 55.80 1ds3 s TYR 11 Cb 0.19 -1.37 0.06 0.00 -0.11 0.00 0.00 41.96 40.73 1ds3 s TYR 11 CO 0.06 0.54 1.11 -1.25 -1.11 0.00 0.00 175.55 174.91 1ds3 s PRO 12 N -3.67 2.20 -0.00 -1.71 0.04 -1.26 -5.08 135.00 125.52 1ds3 s PRO 12 Ca 0.33 0.07 0.06 0.00 0.04 0.00 0.00 61.00 61.50 1ds3 s PRO 12 Cb -0.01 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1ds3 s PRO 12 CO 0.19 -1.38 -0.19 0.15 0.04 0.00 0.00 177.00 175.81 1ds3 s LYS 13 N -5.44 1.45 0.60 4.56 1.02 -1.26 -5.04 119.74 115.63 1ds3 s LYS 13 Ca 0.61 -0.70 0.38 0.00 0.02 0.00 0.00 55.97 56.27 1ds3 s LYS 13 Cb -0.11 -1.43 1.92 0.00 -0.52 0.00 0.00 37.83 37.69 1ds3 s LYS 13 CO 0.48 0.39 2.20 -1.00 -0.92 0.00 0.00 175.35 176.50 1ds3 h PRO 14 N 5.53 0.00 -3.33 -1.68 0.13 -2.01 -3.45 132.00 127.19 1ds3 h PRO 14 Ca -0.38 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1ds3 h PRO 14 Cb 1.15 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 1ds3 h PRO 14 CO 0.47 0.02 -0.12 0.00 -0.23 0.00 0.00 178.00 178.15 1ds3 s ALA 15 N -4.03 -0.88 0.10 -0.56 0.00 -1.26 -5.17 121.76 109.95 1ds3 s ALA 15 Ca -0.03 -0.00 0.07 0.00 0.00 0.00 0.00 51.96 52.00 1ds3 s ALA 15 Cb 0.12 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1ds3 s ALA 15 CO 0.49 -0.57 -0.19 0.00 0.00 0.00 0.00 175.76 175.49 1ds3 n THR 17 N 1.09 0.00 -1.16 0.00 -2.24 -1.26 -5.09 114.28 105.61 1ds3 n THR 17 Ca -0.20 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1ds3 n THR 17 Cb 0.54 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 1ds3 n THR 17 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ds3 n ASP 19 N 0.00 -5.71 -3.96 3.42 5.75 -1.26 -4.99 116.55 109.80 1ds3 n ASP 19 Ca 0.00 0.86 -0.31 0.00 -0.01 0.00 0.00 54.79 55.33 1ds3 n ASP 19 Cb 0.00 -3.82 -0.15 0.00 -1.03 0.00 0.00 41.12 36.12 1ds3 n ASP 19 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1ds3 s TYR 20 N -3.85 2.94 -0.44 2.11 5.04 -1.26 -4.67 117.35 117.22 1ds3 s TYR 20 Ca 0.00 -2.29 0.04 0.00 -2.44 0.00 0.00 57.07 52.37 1ds3 s TYR 20 Cb 0.00 -2.13 0.17 0.00 0.35 0.00 0.00 41.96 40.35 1ds3 s TYR 20 CO 0.00 -0.87 0.35 1.03 -1.34 0.00 0.00 175.55 174.72 1ds3 s ARG 21 N 1.20 1.08 0.43 4.97 0.52 0.52 -5.02 118.95 122.66 1ds3 s ARG 21 Ca 0.02 -2.22 -0.26 0.00 -0.52 0.00 0.00 55.73 52.75 1ds3 s ARG 21 Cb -0.19 -1.67 -0.09 0.00 0.52 0.00 0.00 34.95 33.52 1ds3 s ARG 21 CO -0.09 -1.36 1.37 -0.35 0.02 0.00 0.00 175.30 174.89 1ds3 n PRO 22 N 2.81 2.16 -4.55 3.54 -0.04 -1.19 -3.59 135.00 134.13 1ds3 n PRO 22 Ca 0.27 0.77 -0.22 0.00 -0.04 0.00 0.00 63.50 64.28 1ds3 n PRO 22 Cb 0.45 -2.53 -0.15 0.00 -0.04 0.00 0.00 33.50 31.23 1ds3 n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ds3 s LEU 23 N -2.20 1.92 -0.36 1.53 1.43 -0.23 -1.29 118.68 119.47 1ds3 s LEU 23 Ca 0.60 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.32 1ds3 s LEU 23 Cb -0.48 -0.67 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 1ds3 s LEU 23 CO 0.58 0.12 0.36 0.00 0.23 0.00 0.00 176.35 177.64 1ds3 s GLY 25 N 1.74 1.69 0.30 0.00 0.00 -0.61 -0.75 107.32 109.70 1ds3 s GLY 25 Ca 0.11 -0.14 0.19 0.00 0.00 0.00 0.00 44.72 44.88 1ds3 s GLY 25 CO 0.12 0.10 1.58 -1.14 0.00 0.00 0.00 173.10 173.76 1ds3 n SER 26 N -2.44 0.50 -0.63 1.64 3.41 0.23 -0.17 113.62 116.16 1ds3 n SER 26 Ca 0.05 0.72 0.09 0.00 -0.26 0.00 0.00 58.87 59.48 1ds3 n SER 26 Cb 0.54 -0.78 0.31 0.00 -0.26 0.00 0.00 64.21 64.02 1ds3 n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ds3 n ASP 27 N -2.19 1.87 -1.69 4.04 5.68 -1.26 -4.90 116.55 118.10 1ds3 n ASP 27 Ca -0.01 -1.81 -0.15 0.00 -0.50 0.00 0.00 54.79 52.32 1ds3 n ASP 27 Cb 0.06 -0.16 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1ds3 n ASP 27 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1ds3 n ASN 28 N 0.47 -4.62 -4.67 -1.12 3.02 0.76 -5.01 115.26 104.10 1ds3 n ASN 28 Ca 0.15 0.02 -0.35 0.00 -0.03 0.00 0.00 54.58 54.37 1ds3 n ASN 28 Cb 0.34 -3.73 -0.10 0.00 -0.61 0.00 0.00 39.78 35.68 1ds3 n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ds3 s LYS 29 N -4.64 2.94 -0.36 3.52 2.20 -1.25 -4.92 119.74 117.23 1ds3 s LYS 29 Ca 0.00 -0.44 -0.18 0.00 -0.36 0.00 0.00 55.97 54.99 1ds3 s LYS 29 Cb 0.00 -2.76 -0.00 0.00 -1.51 0.00 0.00 37.83 33.56 1ds3 s LYS 29 CO 0.00 0.69 0.52 0.99 -0.36 0.00 0.00 175.35 177.19 1ds3 s THR 30 N -0.89 5.01 0.04 3.43 2.01 -1.26 -1.57 115.64 122.41 1ds3 s THR 30 Ca 0.14 0.29 -0.20 0.00 0.31 0.00 0.00 61.69 62.22 1ds3 s THR 30 Cb -0.11 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 1ds3 s THR 30 CO 0.03 -0.25 0.59 -0.31 -0.69 0.00 0.00 174.62 173.99 1ds3 s TYR 31 N 2.40 3.76 0.36 4.92 1.51 0.91 -4.90 117.35 126.31 1ds3 s TYR 31 Ca 0.19 1.26 0.08 0.00 -1.01 0.00 0.00 57.07 57.58 1ds3 s TYR 31 Cb -0.15 -2.56 0.81 0.00 -0.11 0.00 0.00 41.96 39.95 1ds3 s TYR 31 CO 0.14 0.48 1.91 0.78 -1.11 0.00 0.00 175.55 177.75 1ds3 h GLY 32 N 5.01 1.05 -1.53 0.71 0.00 -1.86 -0.58 103.07 105.86 1ds3 h GLY 32 Ca -0.48 -0.29 0.14 0.00 0.00 0.00 0.00 47.33 46.70 1ds3 h GLY 32 CO 0.66 0.15 0.53 0.54 0.00 0.00 0.00 176.54 178.42 1ds3 s ASN 33 N -5.97 -0.01 0.24 0.19 2.20 -1.24 -0.35 114.94 110.00 1ds3 s ASN 33 Ca -0.10 -0.73 -0.06 0.00 -0.94 0.00 0.00 52.86 51.04 1ds3 s ASN 33 Cb 0.21 0.55 0.30 0.00 -2.00 0.00 0.00 41.25 40.32 1ds3 s ASN 33 CO 0.78 -1.09 1.88 0.50 -2.94 0.00 0.00 177.10 176.22 1ds3 h LYS 34 N 2.00 1.07 -0.33 3.55 3.64 -1.90 -1.32 116.57 123.28 1ds3 h LYS 34 Ca -0.28 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.07 1ds3 h LYS 34 Cb 1.22 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1ds3 h LYS 34 CO 0.36 0.71 0.13 0.00 -2.27 0.00 0.00 179.45 178.37 1ds3 h ASN 36 N 0.28 1.03 0.03 0.00 2.35 -1.85 -1.56 115.58 115.85 1ds3 h ASN 36 Ca 0.15 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1ds3 h ASN 36 Cb 0.10 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1ds3 h ASN 36 CO -0.14 1.08 -0.01 0.15 -1.65 0.00 0.00 177.43 176.85 1ds3 h PHE 37 N 0.96 -0.04 -0.62 1.19 3.57 -0.87 -2.33 116.94 118.81 1ds3 h PHE 37 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1ds3 h PHE 37 Cb 0.55 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1ds3 h PHE 37 CO 0.04 0.20 0.37 0.00 -2.23 0.00 0.00 178.31 176.68 1ds3 h ASN 39 N 0.84 0.68 0.08 0.00 2.35 -1.27 -1.17 115.58 117.08 1ds3 h ASN 39 Ca 0.22 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 1ds3 h ASN 39 Cb -0.01 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1ds3 h ASN 39 CO -0.04 0.47 -0.50 0.00 -1.65 0.00 0.00 177.43 175.72 1ds3 h ALA 40 N 1.62 0.81 -0.33 -0.83 0.00 -0.71 -2.52 119.26 117.31 1ds3 h ALA 40 Ca 0.25 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ds3 h ALA 40 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ds3 h ALA 40 CO -0.07 0.67 0.19 0.28 0.00 0.00 0.00 179.25 180.32 1ds3 h VAL 41 N 0.37 1.12 -0.65 0.00 2.07 0.19 -1.42 116.25 117.95 1ds3 h VAL 41 Ca 0.02 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1ds3 h VAL 41 Cb 1.00 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1ds3 h VAL 41 CO 0.09 0.13 0.21 0.58 0.02 0.00 0.00 177.57 178.60 1ds3 h VAL 42 N 0.41 1.25 0.00 2.57 2.07 -1.36 -2.43 116.25 118.76 1ds3 h VAL 42 Ca 0.12 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1ds3 h VAL 42 Cb 0.04 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1ds3 h VAL 42 CO -0.02 0.32 0.00 -0.33 0.02 0.00 0.00 177.57 177.56 1ds3 h GLU 43 N 0.93 0.00 -0.01 1.57 5.08 -1.19 -2.58 114.58 118.37 1ds3 h GLU 43 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1ds3 h GLU 43 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ds3 h GLU 43 CO -0.01 0.00 -0.12 -1.13 -1.00 0.00 0.00 179.01 176.75 1ds3 n SER 44 N -2.83 1.01 -3.50 1.42 3.41 -0.56 -4.94 113.62 107.64 1ds3 n SER 44 Ca 0.01 -1.04 -0.21 0.00 -0.26 0.00 0.00 58.87 57.37 1ds3 n SER 44 Cb 0.27 0.04 0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1ds3 n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ds3 n ASN 45 N -0.45 -4.31 0.00 4.04 4.13 -0.97 -2.66 115.26 115.04 1ds3 n ASN 45 Ca 0.16 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.61 1ds3 n ASN 45 Cb 0.32 -4.43 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 1ds3 n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ds3 n GLY 46 N -1.42 0.90 0.12 7.41 0.00 -1.22 -4.89 105.19 106.09 1ds3 n GLY 46 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 1ds3 n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ds3 h THR 47 N 0.00 1.45 -3.37 2.61 1.35 -1.77 -3.45 112.91 109.74 1ds3 h THR 47 Ca 0.00 -2.45 -0.56 0.00 -0.55 0.00 0.00 66.41 62.85 1ds3 h THR 47 Cb 0.00 2.34 -0.05 0.00 -1.73 0.00 0.00 68.15 68.71 1ds3 h THR 47 CO 0.00 0.69 0.08 -0.22 -0.25 0.00 0.00 175.52 175.82 1ds3 s LEU 48 N -7.25 4.38 0.27 3.87 2.96 -1.26 -5.00 118.68 116.65 1ds3 s LEU 48 Ca -0.00 1.25 0.02 0.00 -0.22 0.00 0.00 54.13 55.18 1ds3 s LEU 48 Cb 0.12 -3.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 1ds3 s LEU 48 CO 0.77 -0.03 0.07 0.42 -1.32 0.00 0.00 176.35 176.26 1ds3 s THR 49 N 0.33 0.77 -0.38 3.68 -4.23 -1.26 -4.84 115.64 109.70 1ds3 s THR 49 Ca 0.36 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.64 1ds3 s THR 49 Cb -0.19 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.05 1ds3 s THR 49 CO 0.19 -0.06 0.77 -0.22 -0.54 0.00 0.00 174.62 174.76 1ds3 s LEU 50 N -3.34 4.16 -0.03 4.79 2.96 -1.26 -0.60 118.68 125.36 1ds3 s LEU 50 Ca 0.36 0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 54.31 1ds3 s LEU 50 Cb 0.08 -2.99 -0.13 0.00 0.50 0.00 0.00 46.19 43.64 1ds3 s LEU 50 CO 0.13 -0.75 0.89 0.28 -1.32 0.00 0.00 176.35 175.57 1ds3 h SER 51 N 8.57 -0.36 -5.09 3.68 0.02 -1.17 -3.46 113.55 115.74 1ds3 h SER 51 Ca -0.25 -0.16 0.16 0.00 -0.84 0.00 0.00 61.79 60.70 1ds3 h SER 51 Cb 1.09 0.09 -0.11 0.00 0.14 0.00 0.00 62.40 63.62 1ds3 h SER 51 CO 0.91 0.10 0.51 -1.38 -1.14 0.00 0.00 176.83 175.83 1ds3 s HIS 52 N -3.75 -0.20 0.40 3.45 0.00 -1.03 -5.03 115.29 109.13 1ds3 s HIS 52 Ca -0.12 -0.03 -0.24 0.00 -3.00 0.00 0.00 55.06 51.68 1ds3 s HIS 52 Cb 0.01 0.60 -0.09 0.00 -4.00 0.00 0.00 32.58 29.10 1ds3 s HIS 52 CO 0.41 -0.69 1.03 -0.06 -1.00 0.00 0.00 174.74 174.43 1ds3 s PHE 53 N -3.17 3.29 0.00 0.38 0.08 -1.26 -1.00 117.98 116.29 1ds3 s PHE 53 Ca 0.10 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.79 1ds3 s PHE 53 Cb -0.01 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 1ds3 s PHE 53 CO -0.02 -0.53 0.00 0.41 -0.10 0.00 0.00 175.22 174.98 1ds3 n GLY 54 N 0.25 0.28 3.79 4.36 0.00 -0.42 -4.75 105.19 108.70 1ds3 n GLY 54 Ca 0.05 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1ds3 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ds3 s LYS 55 N -1.33 3.47 0.00 1.61 -2.85 -1.26 -1.55 119.74 117.84 1ds3 s LYS 55 Ca 0.00 1.43 0.05 0.00 -1.00 0.00 0.00 55.97 56.45 1ds3 s LYS 55 Cb 0.00 -2.04 0.32 0.00 -2.06 0.00 0.00 37.83 34.05 1ds3 s LYS 55 CO 0.00 -0.72 0.79 0.00 0.10 0.00 0.00 175.35 175.52