#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sgq s ASP 7 N 0.00 4.75 -0.33 6.55 -1.08 -1.26 -5.00 116.67 120.31 2sgq s ASP 7 Ca 0.00 -0.26 0.09 0.00 -0.52 0.00 0.00 52.55 51.86 2sgq s ASP 7 Cb 0.00 -1.82 0.66 0.00 -1.46 0.00 0.00 42.92 40.30 2sgq s ASP 7 CO 0.00 0.01 1.72 0.00 0.52 0.00 0.00 175.17 177.43 2sgq h SER 9 N 1.90 0.99 -0.23 0.00 4.64 -1.98 -2.60 113.55 116.26 2sgq h SER 9 Ca 0.30 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 2sgq h SER 9 Cb 2.22 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 64.01 2sgq h SER 9 CO 0.69 0.82 0.09 -1.84 -0.87 0.00 0.00 176.83 175.72 2sgq n GLU 10 N -4.33 1.81 -4.04 4.77 0.28 -1.26 -4.84 120.64 113.02 2sgq n GLU 10 Ca 0.08 -0.93 -0.22 0.00 -0.16 0.00 0.00 57.16 55.93 2sgq n GLU 10 Cb 0.12 -1.56 -0.04 0.00 1.43 0.00 0.00 31.44 31.40 2sgq n GLU 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2sgq s TYR 11 N -1.28 3.10 0.86 -1.84 1.51 -0.98 -4.52 117.35 114.20 2sgq s TYR 11 Ca 0.17 -0.14 -0.12 0.00 -1.01 0.00 0.00 57.07 55.97 2sgq s TYR 11 Cb 0.13 -1.49 0.11 0.00 -0.11 0.00 0.00 41.96 40.60 2sgq s TYR 11 CO 0.04 0.45 1.14 -1.25 -1.11 0.00 0.00 175.55 174.82 2sgq s PRO 12 N -3.89 1.53 -0.03 -1.71 0.04 -1.26 -5.05 135.00 124.64 2sgq s PRO 12 Ca 0.35 0.30 0.02 0.00 0.04 0.00 0.00 61.00 61.70 2sgq s PRO 12 Cb -0.08 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2sgq s PRO 12 CO 0.26 -1.93 -0.07 0.15 0.04 0.00 0.00 177.00 175.45 2sgq s LYS 13 N -5.34 0.87 0.37 4.56 1.02 -1.26 -5.03 119.74 114.93 2sgq s LYS 13 Ca 0.63 -0.22 0.27 0.00 0.02 0.00 0.00 55.97 56.67 2sgq s LYS 13 Cb -0.14 -0.83 1.12 0.00 -0.52 0.00 0.00 37.83 37.47 2sgq s LYS 13 CO 0.52 0.04 1.82 -1.00 -0.92 0.00 0.00 175.35 175.81 2sgq h PRO 14 N 6.63 0.00 -3.10 -1.68 0.13 -2.02 -3.44 132.00 128.52 2sgq h PRO 14 Ca -0.34 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 2sgq h PRO 14 Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 2sgq h PRO 14 CO 0.48 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.10 2sgq s ALA 15 N -3.44 -0.90 0.01 -0.56 0.00 -1.26 -5.16 121.76 110.45 2sgq s ALA 15 Ca 0.03 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.27 2sgq s ALA 15 Cb 0.09 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2sgq s ALA 15 CO 0.45 -0.43 -0.14 0.00 0.00 0.00 0.00 175.76 175.64 2sgq s THR 17 N -0.59 2.97 -0.45 0.00 -4.23 -1.26 -4.97 115.64 107.12 2sgq s THR 17 Ca 0.04 0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.91 2sgq s THR 17 Cb -0.07 -2.74 0.42 0.00 1.34 0.00 0.00 72.50 71.46 2sgq s THR 17 CO 0.00 -0.41 1.23 0.00 -0.54 0.00 0.00 174.62 174.91 2sgq n GLN 18 N -3.74 3.40 -2.13 3.99 1.13 -1.26 -4.93 117.38 113.84 2sgq n GLN 18 Ca 0.09 -4.31 -0.29 0.00 -1.94 0.00 0.00 57.00 50.54 2sgq n GLN 18 Cb 0.54 -2.26 0.02 0.00 0.11 0.00 0.00 30.24 28.64 2sgq n GLN 18 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2sgq s GLU 19 N -3.61 3.37 -0.27 -1.09 1.03 -1.26 -5.04 118.70 111.83 2sgq s GLU 19 Ca 0.50 0.47 -0.05 0.00 0.03 0.00 0.00 54.97 55.91 2sgq s GLU 19 Cb 0.41 -2.17 0.01 0.00 -0.80 0.00 0.00 34.13 31.58 2sgq s GLU 19 CO -0.15 -0.58 0.03 -0.47 -1.33 0.00 0.00 175.26 172.76 2sgq s TYR 20 N -3.08 3.09 -0.38 4.83 5.04 -1.26 -4.52 117.35 121.07 2sgq s TYR 20 Ca 0.54 -1.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.15 2sgq s TYR 20 Cb -0.11 -2.18 0.16 0.00 0.35 0.00 0.00 41.96 40.18 2sgq s TYR 20 CO 0.50 -0.59 0.38 1.03 -1.34 0.00 0.00 175.55 175.54 2sgq s ARG 21 N 1.47 0.69 0.59 4.97 0.52 0.63 -5.04 118.95 122.77 2sgq s ARG 21 Ca 0.03 -1.05 -0.16 0.00 -0.52 0.00 0.00 55.73 54.03 2sgq s ARG 21 Cb -0.16 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.47 2sgq s ARG 21 CO 0.00 -1.23 1.06 -1.25 0.02 0.00 0.00 175.30 173.90 2sgq s PRO 22 N 1.22 3.32 0.08 3.54 0.04 -1.23 -3.82 135.00 138.15 2sgq s PRO 22 Ca 0.19 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.50 2sgq s PRO 22 Cb -0.13 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2sgq s PRO 22 CO -0.04 -0.81 -0.12 -0.51 0.04 0.00 0.00 177.00 175.56 2sgq s LEU 23 N -4.47 2.33 -0.26 -3.56 1.43 -0.44 -0.94 118.68 112.77 2sgq s LEU 23 Ca 0.64 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2sgq s LEU 23 Cb -0.16 -0.43 -0.00 0.00 0.03 0.00 0.00 46.19 45.63 2sgq s LEU 23 CO 0.36 -0.15 0.03 0.00 0.23 0.00 0.00 176.35 176.82 2sgq s GLY 25 N 1.49 1.64 0.00 0.00 0.00 -0.54 -0.57 107.32 109.35 2sgq s GLY 25 Ca 0.04 -0.21 0.13 0.00 0.00 0.00 0.00 44.72 44.68 2sgq s GLY 25 CO 0.00 0.13 1.33 -1.14 0.00 0.00 0.00 173.10 173.42 2sgq n SER 26 N -2.97 0.00 -1.33 1.64 3.41 0.76 -1.27 113.62 113.86 2sgq n SER 26 Ca 0.07 0.05 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 2sgq n SER 26 Cb 0.56 -0.26 0.31 0.00 -0.26 0.00 0.00 64.21 64.55 2sgq n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2sgq n ASP 27 N -1.26 3.89 0.00 4.04 5.75 -1.26 -4.91 116.55 122.80 2sgq n ASP 27 Ca 0.07 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 2sgq n ASP 27 Cb 0.10 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 2sgq n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2sgq n ASN 28 N 1.65 -3.25 -4.76 -1.12 3.02 -0.40 -4.99 115.26 105.41 2sgq n ASN 28 Ca 0.24 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.40 2sgq n ASN 28 Cb 0.63 -1.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.15 2sgq n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2sgq s LYS 29 N -0.74 4.26 -0.20 3.52 2.20 -1.26 -4.87 119.74 122.66 2sgq s LYS 29 Ca 0.00 0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 55.93 2sgq s LYS 29 Cb 0.00 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 2sgq s LYS 29 CO 0.00 0.36 1.23 0.99 -0.36 0.00 0.00 175.35 177.58 2sgq s THR 30 N -0.12 4.32 -0.11 3.43 2.01 -1.26 -1.47 115.64 122.45 2sgq s THR 30 Ca 0.29 1.58 -0.14 0.00 0.31 0.00 0.00 61.69 63.73 2sgq s THR 30 Cb -0.17 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 2sgq s THR 30 CO 0.15 -0.20 0.34 -0.31 -0.69 0.00 0.00 174.62 173.91 2sgq s TYR 31 N 3.58 3.55 0.25 4.92 1.51 0.52 -4.95 117.35 126.73 2sgq s TYR 31 Ca 0.53 0.74 0.24 0.00 -1.01 0.00 0.00 57.07 57.57 2sgq s TYR 31 Cb -0.20 -2.33 1.07 0.00 -0.11 0.00 0.00 41.96 40.39 2sgq s TYR 31 CO 0.15 0.37 1.90 0.78 -1.11 0.00 0.00 175.55 177.64 2sgq h GLY 32 N 6.05 0.00 -2.31 0.71 0.00 -1.87 -1.17 103.07 104.49 2sgq h GLY 32 Ca -0.45 0.00 0.11 0.00 0.00 0.00 0.00 47.33 46.99 2sgq h GLY 32 CO 0.71 0.00 0.35 0.54 0.00 0.00 0.00 176.54 178.14 2sgq s ASN 33 N -6.24 -0.26 0.33 0.19 2.20 -1.25 -0.27 114.94 109.65 2sgq s ASN 33 Ca -0.01 -0.44 0.01 0.00 -0.94 0.00 0.00 52.86 51.49 2sgq s ASN 33 Cb 0.12 0.60 0.57 0.00 -2.00 0.00 0.00 41.25 40.53 2sgq s ASN 33 CO 0.63 -1.08 1.98 0.50 -2.94 0.00 0.00 177.10 176.19 2sgq h LYS 34 N 2.00 0.89 -0.58 3.55 3.11 -1.89 -0.58 116.57 123.06 2sgq h LYS 34 Ca -0.22 -0.07 -0.08 0.00 -2.81 0.00 0.00 60.65 57.47 2sgq h LYS 34 Cb 1.25 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 32.26 2sgq h LYS 34 CO 0.26 0.61 0.05 0.00 -2.81 0.00 0.00 179.45 177.56 2sgq h ASN 36 N 0.89 0.78 -0.17 0.00 2.35 -1.82 -1.08 115.58 116.52 2sgq h ASN 36 Ca 0.17 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2sgq h ASN 36 Cb 0.48 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2sgq h ASN 36 CO 0.02 1.02 0.11 0.15 -1.65 0.00 0.00 177.43 177.08 2sgq h PHE 37 N 0.53 0.22 -0.45 1.19 3.57 -1.01 -2.43 116.94 118.56 2sgq h PHE 37 Ca 0.08 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2sgq h PHE 37 Cb 0.74 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2sgq h PHE 37 CO 0.06 0.16 0.15 0.00 -2.23 0.00 0.00 178.31 176.45 2sgq h ASN 39 N 0.64 0.00 -0.06 0.00 2.35 -0.96 -2.46 115.58 115.10 2sgq h ASN 39 Ca 0.15 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.71 2sgq h ASN 39 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2sgq h ASN 39 CO -0.01 0.33 -0.68 0.00 -1.65 0.00 0.00 177.43 175.42 2sgq h ALA 40 N 1.67 0.47 -0.10 -0.83 0.00 -0.81 -1.06 119.26 118.61 2sgq h ALA 40 Ca -0.00 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.38 2sgq h ALA 40 Cb 0.65 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2sgq h ALA 40 CO 0.04 0.70 -0.24 0.28 0.00 0.00 0.00 179.25 180.03 2sgq h VAL 41 N 0.49 0.42 -0.45 0.00 2.07 -0.88 -0.61 116.25 117.30 2sgq h VAL 41 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2sgq h VAL 41 Cb 1.28 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2sgq h VAL 41 CO 0.14 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.47 2sgq h VAL 42 N -0.32 0.87 0.00 2.57 2.07 -1.39 -0.91 116.25 119.13 2sgq h VAL 42 Ca 0.09 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2sgq h VAL 42 Cb 0.46 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2sgq h VAL 42 CO -0.29 0.06 -0.11 -0.08 0.02 0.00 0.00 177.57 177.18 2sgq h GLU 43 N 0.34 0.00 -0.12 1.57 4.81 -0.78 0.11 114.58 120.51 2sgq h GLU 43 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2sgq h GLU 43 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2sgq h GLU 43 CO -0.21 0.11 0.00 -1.13 -0.73 0.00 0.00 179.01 177.05 2sgq n SER 44 N -4.02 1.26 -3.04 1.04 3.41 -0.27 -4.90 113.62 107.10 2sgq n SER 44 Ca -0.02 -1.62 -0.21 0.00 -0.26 0.00 0.00 58.87 56.76 2sgq n SER 44 Cb 0.20 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.13 2sgq n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2sgq n ASN 45 N 0.05 -5.88 0.00 4.04 5.15 0.38 -2.64 115.26 116.36 2sgq n ASN 45 Ca 0.16 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 2sgq n ASN 45 Cb 0.27 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 34.92 2sgq n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2sgq n GLY 46 N -1.67 0.53 0.10 8.20 0.00 -0.82 -4.96 105.19 106.57 2sgq n GLY 46 Ca -0.05 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.70 2sgq n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2sgq n THR 47 N -2.87 1.08 -2.74 2.61 -2.24 -1.08 -4.87 114.28 104.18 2sgq n THR 47 Ca 0.00 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 2sgq n THR 47 Cb 0.00 -0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 67.52 2sgq n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2sgq s LEU 48 N -5.68 4.54 0.37 3.22 2.96 -1.26 -5.04 118.68 117.78 2sgq s LEU 48 Ca -0.03 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.74 2sgq s LEU 48 Cb 0.09 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 2sgq s LEU 48 CO 0.81 -0.01 0.11 0.42 -1.32 0.00 0.00 176.35 176.36 2sgq s THR 49 N -0.29 0.75 -0.15 3.68 -4.23 -1.26 -4.81 115.64 109.34 2sgq s THR 49 Ca 0.45 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.72 2sgq s THR 49 Cb -0.24 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 2sgq s THR 49 CO 0.30 0.00 0.79 -0.22 -0.54 0.00 0.00 174.62 174.95 2sgq s LEU 50 N -3.54 4.21 -0.16 4.79 2.96 -1.26 -0.17 118.68 125.51 2sgq s LEU 50 Ca 0.29 1.16 -0.14 0.00 -0.22 0.00 0.00 54.13 55.21 2sgq s LEU 50 Cb 0.05 -3.18 -0.11 0.00 0.50 0.00 0.00 46.19 43.45 2sgq s LEU 50 CO 0.15 -0.33 0.10 -1.28 -1.32 0.00 0.00 176.35 173.68 2sgq h SER 51 N 7.22 0.00 -5.15 3.68 0.87 -1.06 -3.45 113.55 115.66 2sgq h SER 51 Ca -0.32 -0.30 0.12 0.00 -1.23 0.00 0.00 61.79 60.06 2sgq h SER 51 Cb 1.15 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.04 2sgq h SER 51 CO 0.81 0.99 0.36 -1.38 -0.53 0.00 0.00 176.83 177.08 2sgq s HIS 52 N -2.17 -0.18 0.55 2.24 0.00 -1.01 -5.02 115.29 109.70 2sgq s HIS 52 Ca -0.18 -0.18 -0.14 0.00 -3.00 0.00 0.00 55.06 51.56 2sgq s HIS 52 Cb 0.02 0.66 -0.06 0.00 -4.00 0.00 0.00 32.58 29.21 2sgq s HIS 52 CO 0.37 -1.00 0.99 -0.06 -1.00 0.00 0.00 174.74 174.04 2sgq s PHE 53 N -3.58 3.53 0.00 0.38 0.40 -1.26 -0.48 117.98 116.97 2sgq s PHE 53 Ca 0.11 1.36 0.00 0.00 -0.60 0.00 0.00 56.93 57.80 2sgq s PHE 53 Cb -0.03 -2.73 0.00 0.00 0.51 0.00 0.00 43.02 40.77 2sgq s PHE 53 CO 0.03 -0.48 0.00 0.41 0.70 0.00 0.00 175.22 175.88 2sgq n GLY 54 N -2.05 0.34 3.73 4.36 0.00 -0.11 -4.66 105.19 106.80 2sgq n GLY 54 Ca 0.06 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 2sgq n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2sgq s LYS 55 N -1.76 2.06 0.00 1.61 1.02 -1.26 -1.93 119.74 119.48 2sgq s LYS 55 Ca 0.00 1.55 0.25 0.00 0.02 0.00 0.00 55.97 57.79 2sgq s LYS 55 Cb 0.00 -1.85 1.49 0.00 -0.52 0.00 0.00 37.83 36.95 2sgq s LYS 55 CO 0.00 -1.85 1.85 0.00 -0.92 0.00 0.00 175.35 174.43