#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgy s ASP 7 N 0.00 5.22 -0.57 6.55 2.15 -1.26 -5.03 116.67 123.73 1sgy s ASP 7 Ca 0.00 -0.15 0.01 0.00 0.43 0.00 0.00 52.55 52.83 1sgy s ASP 7 Cb 0.00 -1.93 0.45 0.00 -0.30 0.00 0.00 42.92 41.14 1sgy s ASP 7 CO 0.00 0.01 1.79 0.00 -0.17 0.00 0.00 175.17 176.79 1sgy h SER 9 N 2.12 0.00 -0.11 0.00 4.64 -1.97 -3.14 113.55 115.08 1sgy h SER 9 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1sgy h SER 9 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1sgy h SER 9 CO 1.34 0.69 0.00 -0.62 -0.87 0.00 0.00 176.83 177.37 1sgy n GLU 10 N -3.28 1.42 -4.07 4.77 4.71 -1.26 -4.79 120.64 118.15 1sgy n GLU 10 Ca 0.01 -0.47 -0.27 0.00 -0.01 0.00 0.00 57.16 56.42 1sgy n GLU 10 Cb 0.81 -1.31 -0.06 0.00 -1.01 0.00 0.00 31.44 29.88 1sgy n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1sgy s TYR 11 N -1.62 3.17 0.64 -0.32 1.51 -1.19 -4.51 117.35 115.03 1sgy s TYR 11 Ca 0.08 0.01 -0.08 0.00 -1.01 0.00 0.00 57.07 56.07 1sgy s TYR 11 Cb 0.05 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.37 1sgy s TYR 11 CO 0.04 0.52 0.98 -1.25 -1.11 0.00 0.00 175.55 174.73 1sgy s PRO 12 N -2.93 2.90 -0.04 -1.71 0.04 -1.26 -5.06 135.00 126.94 1sgy s PRO 12 Ca 0.31 0.19 0.06 0.00 0.04 0.00 0.00 61.00 61.59 1sgy s PRO 12 Cb -0.11 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1sgy s PRO 12 CO 0.23 -0.83 -0.21 0.15 0.04 0.00 0.00 177.00 176.38 1sgy s LYS 13 N -5.14 2.00 0.52 4.56 1.02 -1.26 -5.04 119.74 116.40 1sgy s LYS 13 Ca 0.56 -0.75 0.31 0.00 0.02 0.00 0.00 55.97 56.11 1sgy s LYS 13 Cb -0.11 -1.77 1.35 0.00 -0.52 0.00 0.00 37.83 36.78 1sgy s LYS 13 CO 0.48 0.35 1.99 -1.00 -0.92 0.00 0.00 175.35 176.25 1sgy h PRO 14 N 6.00 0.00 -3.67 -1.68 0.13 -2.02 -3.45 132.00 127.31 1sgy h PRO 14 Ca -0.35 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.68 1sgy h PRO 14 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 1sgy h PRO 14 CO 0.48 0.09 -0.42 0.00 -0.23 0.00 0.00 178.00 177.92 1sgy s ALA 15 N -3.81 -0.26 0.03 -0.56 0.00 -1.26 -5.16 121.76 110.75 1sgy s ALA 15 Ca -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1sgy s ALA 15 Cb 0.10 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1sgy s ALA 15 CO 0.57 -0.39 -0.12 0.00 0.00 0.00 0.00 175.76 175.82 1sgy s THR 17 N -0.83 2.67 -0.37 0.00 -4.23 -1.26 -5.01 115.64 106.61 1sgy s THR 17 Ca -0.00 0.22 0.09 0.00 -1.18 0.00 0.00 61.69 60.81 1sgy s THR 17 Cb -0.07 -2.81 0.44 0.00 1.34 0.00 0.00 72.50 71.40 1sgy s THR 17 CO 0.01 -0.28 1.10 -1.22 -0.54 0.00 0.00 174.62 173.69 1sgy n TYR 18 N -3.76 2.74 -2.07 3.99 4.01 -1.26 -4.92 117.16 115.90 1sgy n TYR 18 Ca 0.07 -2.78 -0.30 0.00 -0.16 0.00 0.00 57.90 54.72 1sgy n TYR 18 Cb 0.56 -0.20 0.01 0.00 -0.31 0.00 0.00 39.34 39.40 1sgy n TYR 18 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1sgy s GLU 19 N -3.51 3.47 -0.28 -0.72 1.03 -1.26 -5.04 118.70 112.39 1sgy s GLU 19 Ca 0.44 0.56 -0.04 0.00 0.03 0.00 0.00 54.97 55.96 1sgy s GLU 19 Cb 0.41 -2.15 0.02 0.00 -0.80 0.00 0.00 34.13 31.61 1sgy s GLU 19 CO -0.09 -0.55 0.01 -0.47 -1.33 0.00 0.00 175.26 172.84 1sgy s TYR 20 N -3.09 3.14 -0.36 4.83 5.04 -1.26 -4.60 117.35 121.05 1sgy s TYR 20 Ca 0.54 -1.38 0.02 0.00 -2.44 0.00 0.00 57.07 53.80 1sgy s TYR 20 Cb -0.11 -2.15 0.15 0.00 0.35 0.00 0.00 41.96 40.20 1sgy s TYR 20 CO 0.51 -0.68 0.31 1.03 -1.34 0.00 0.00 175.55 175.38 1sgy s ARG 21 N 1.38 0.58 0.52 4.97 0.52 0.45 -5.02 118.95 122.36 1sgy s ARG 21 Ca 0.00 -1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 54.01 1sgy s ARG 21 Cb -0.17 -0.94 -0.06 0.00 0.52 0.00 0.00 34.95 34.29 1sgy s ARG 21 CO -0.01 -1.19 1.14 -1.25 0.02 0.00 0.00 175.30 174.01 1sgy s PRO 22 N 1.34 3.46 0.05 3.54 0.04 -1.24 -3.71 135.00 138.49 1sgy s PRO 22 Ca 0.17 1.67 0.06 0.00 0.04 0.00 0.00 61.00 62.93 1sgy s PRO 22 Cb -0.18 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1sgy s PRO 22 CO -0.03 -0.77 -0.16 -0.51 0.04 0.00 0.00 177.00 175.56 1sgy s LEU 23 N -3.58 2.21 -0.25 -3.56 1.43 -0.47 -0.75 118.68 113.69 1sgy s LEU 23 Ca 0.70 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1sgy s LEU 23 Cb -0.25 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 1sgy s LEU 23 CO 0.29 0.03 0.07 0.00 0.23 0.00 0.00 176.35 176.97 1sgy s GLY 25 N 1.60 1.65 0.16 0.00 0.00 -0.77 -0.26 107.32 109.71 1sgy s GLY 25 Ca 0.06 -0.79 0.19 0.00 0.00 0.00 0.00 44.72 44.18 1sgy s GLY 25 CO 0.03 -0.43 1.58 -1.14 0.00 0.00 0.00 173.10 173.15 1sgy n SER 26 N -2.82 0.39 -0.72 1.64 3.41 0.59 -1.38 113.62 114.72 1sgy n SER 26 Ca 0.07 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 1sgy n SER 26 Cb 0.59 -0.68 0.25 0.00 -0.26 0.00 0.00 64.21 64.10 1sgy n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sgy n ASP 27 N -1.94 2.12 -0.47 4.04 5.75 -1.26 -4.92 116.55 119.88 1sgy n ASP 27 Ca 0.02 -1.91 -0.06 0.00 -0.01 0.00 0.00 54.79 52.83 1sgy n ASP 27 Cb 0.18 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 1sgy n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sgy n ASN 28 N 0.64 -4.49 -4.82 -1.12 3.02 -0.48 -5.00 115.26 103.02 1sgy n ASN 28 Ca 0.15 0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.49 1sgy n ASN 28 Cb 0.36 -2.53 -0.07 0.00 -0.61 0.00 0.00 39.78 36.93 1sgy n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1sgy s LYS 29 N -2.10 3.79 -0.12 3.52 2.20 -1.26 -4.88 119.74 120.90 1sgy s LYS 29 Ca 0.00 -0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.24 1sgy s LYS 29 Cb 0.00 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1sgy s LYS 29 CO 0.00 0.58 1.09 0.99 -0.36 0.00 0.00 175.35 177.65 1sgy s THR 30 N -0.48 4.57 -0.15 3.43 2.01 -1.26 -1.84 115.64 121.93 1sgy s THR 30 Ca 0.14 1.87 -0.14 0.00 0.31 0.00 0.00 61.69 63.87 1sgy s THR 30 Cb -0.12 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 1sgy s THR 30 CO 0.03 -0.04 0.31 -0.31 -0.69 0.00 0.00 174.62 173.92 1sgy s TYR 31 N 2.40 3.49 0.20 4.92 1.51 0.65 -4.95 117.35 125.56 1sgy s TYR 31 Ca 0.50 0.64 0.34 0.00 -1.01 0.00 0.00 57.07 57.55 1sgy s TYR 31 Cb -0.20 -2.34 1.50 0.00 -0.11 0.00 0.00 41.96 40.82 1sgy s TYR 31 CO 0.17 0.28 2.04 0.78 -1.11 0.00 0.00 175.55 177.70 1sgy h GLY 32 N 6.48 0.00 -2.50 0.71 0.00 -1.87 -1.26 103.07 104.64 1sgy h GLY 32 Ca -0.42 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.10 1sgy h GLY 32 CO 0.74 0.00 0.53 0.54 0.00 0.00 0.00 176.54 178.35 1sgy s ASN 33 N -5.67 -0.18 0.25 0.19 2.20 -1.24 -0.41 114.94 110.08 1sgy s ASN 33 Ca 0.00 -0.33 -0.05 0.00 -0.94 0.00 0.00 52.86 51.54 1sgy s ASN 33 Cb 0.10 0.44 0.29 0.00 -2.00 0.00 0.00 41.25 40.07 1sgy s ASN 33 CO 0.53 -0.80 1.85 0.50 -2.94 0.00 0.00 177.10 176.24 1sgy h LYS 34 N 2.00 1.11 -0.46 3.55 3.64 -1.89 -1.12 116.57 123.39 1sgy h LYS 34 Ca -0.24 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1sgy h LYS 34 Cb 1.23 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1sgy h LYS 34 CO 0.26 0.86 0.30 0.00 -2.27 0.00 0.00 179.45 178.60 1sgy h ASN 36 N 0.62 0.15 -0.09 0.00 -0.73 -1.86 -1.48 115.58 112.20 1sgy h ASN 36 Ca 0.17 -0.05 0.02 0.00 1.87 0.00 0.00 56.30 58.31 1sgy h ASN 36 Cb -0.07 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 1sgy h ASN 36 CO -0.04 0.15 -0.03 0.15 -0.37 0.00 0.00 177.43 177.30 1sgy h PHE 37 N 0.13 -0.06 -0.60 0.67 3.57 -0.76 -2.50 116.94 117.39 1sgy h PHE 37 Ca 0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1sgy h PHE 37 Cb 0.03 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1sgy h PHE 37 CO -0.05 -0.04 0.33 0.00 -2.23 0.00 0.00 178.31 176.32 1sgy h ASN 39 N 0.83 0.22 -0.48 0.00 2.35 -1.07 -2.33 115.58 115.10 1sgy h ASN 39 Ca 0.21 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 1sgy h ASN 39 Cb 0.01 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1sgy h ASN 39 CO -0.04 0.63 -0.06 0.00 -1.65 0.00 0.00 177.43 176.31 1sgy h ALA 40 N 1.38 0.66 -0.20 -0.83 0.00 -0.90 0.73 119.26 120.10 1sgy h ALA 40 Ca 0.01 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1sgy h ALA 40 Cb 0.84 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1sgy h ALA 40 CO 0.07 0.52 0.01 0.28 0.00 0.00 0.00 179.25 180.13 1sgy h VAL 41 N 0.75 0.88 0.01 0.00 2.07 -0.98 -0.42 116.25 118.55 1sgy h VAL 41 Ca 0.13 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1sgy h VAL 41 Cb 0.60 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1sgy h VAL 41 CO 0.04 0.02 -0.15 0.58 0.02 0.00 0.00 177.57 178.08 1sgy h VAL 42 N 0.08 0.64 -0.03 2.57 2.07 -1.19 -1.28 116.25 119.11 1sgy h VAL 42 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1sgy h VAL 42 Cb 0.11 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1sgy h VAL 42 CO -0.15 0.00 0.04 -0.08 0.02 0.00 0.00 177.57 177.41 1sgy h GLU 43 N -0.25 0.00 -0.25 1.57 4.81 -0.52 0.21 114.58 120.15 1sgy h GLU 43 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1sgy h GLU 43 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1sgy h GLU 43 CO -0.14 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.01 1sgy n SER 44 N -3.72 2.17 -3.45 1.04 3.41 -0.20 -4.91 113.62 107.96 1sgy n SER 44 Ca -0.02 -1.82 -0.22 0.00 -0.26 0.00 0.00 58.87 56.56 1sgy n SER 44 Cb 0.13 -0.16 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1sgy n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sgy n ASN 45 N 0.66 -5.26 -0.18 4.04 5.15 0.73 -2.30 115.26 118.10 1sgy n ASN 45 Ca 0.17 -0.54 -0.02 0.00 -0.60 0.00 0.00 54.58 53.58 1sgy n ASN 45 Cb 0.40 -4.89 -0.01 0.00 -0.53 0.00 0.00 39.78 34.75 1sgy n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sgy n GLY 46 N -1.77 0.57 0.09 8.20 0.00 -0.57 -4.94 105.19 106.78 1sgy n GLY 46 Ca -0.06 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1sgy n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sgy h THR 47 N 0.00 1.46 -3.44 2.61 2.02 -1.64 -3.46 112.91 110.46 1sgy h THR 47 Ca -0.05 -3.09 -0.52 0.00 0.77 0.00 0.00 66.41 63.52 1sgy h THR 47 Cb 0.26 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1sgy h THR 47 CO 0.07 0.88 0.49 -0.22 0.37 0.00 0.00 175.52 177.11 1sgy s LEU 48 N -6.95 4.44 0.40 2.58 2.96 -1.26 -5.06 118.68 115.79 1sgy s LEU 48 Ca -0.04 2.03 0.04 0.00 -0.22 0.00 0.00 54.13 55.94 1sgy s LEU 48 Cb 0.08 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1sgy s LEU 48 CO 0.86 -0.30 0.08 0.42 -1.32 0.00 0.00 176.35 176.09 1sgy s THR 49 N 0.26 0.98 -0.17 3.68 -4.23 -1.26 -4.82 115.64 110.08 1sgy s THR 49 Ca 0.52 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.80 1sgy s THR 49 Cb -0.29 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1sgy s THR 49 CO 0.33 0.00 0.73 -0.22 -0.54 0.00 0.00 174.62 174.91 1sgy s LEU 50 N -3.61 4.18 -0.13 4.79 2.96 -1.26 -0.30 118.68 125.30 1sgy s LEU 50 Ca 0.26 1.03 -0.14 0.00 -0.22 0.00 0.00 54.13 55.06 1sgy s LEU 50 Cb 0.05 -3.07 -0.12 0.00 0.50 0.00 0.00 46.19 43.56 1sgy s LEU 50 CO 0.13 -0.30 0.26 -1.28 -1.32 0.00 0.00 176.35 173.84 1sgy h SER 51 N 7.31 0.00 -5.25 3.68 0.87 -0.85 -3.45 113.55 115.86 1sgy h SER 51 Ca -0.32 -0.40 0.13 0.00 -1.23 0.00 0.00 61.79 59.97 1sgy h SER 51 Cb 1.15 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.05 1sgy h SER 51 CO 0.80 0.84 0.44 -1.38 -0.53 0.00 0.00 176.83 177.00 1sgy s HIS 52 N -1.99 -0.07 0.43 2.24 0.00 -1.02 -5.02 115.29 109.86 1sgy s HIS 52 Ca -0.13 -0.32 -0.14 0.00 -3.00 0.00 0.00 55.06 51.47 1sgy s HIS 52 Cb 0.00 0.69 -0.08 0.00 -4.00 0.00 0.00 32.58 29.19 1sgy s HIS 52 CO 0.35 -1.00 0.85 -0.06 -1.00 0.00 0.00 174.74 173.87 1sgy s PHE 53 N -3.06 3.44 0.00 0.38 0.40 -1.26 -0.61 117.98 117.26 1sgy s PHE 53 Ca 0.14 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.73 1sgy s PHE 53 Cb -0.03 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.90 1sgy s PHE 53 CO 0.05 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.22 1sgy n GLY 54 N -1.19 0.05 3.75 4.36 0.00 0.07 -4.70 105.19 107.53 1sgy n GLY 54 Ca 0.04 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1sgy n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgy s LYS 55 N -1.35 2.73 0.00 1.61 1.02 -1.26 -1.85 119.74 120.64 1sgy s LYS 55 Ca 0.00 1.67 0.17 0.00 0.02 0.00 0.00 55.97 57.83 1sgy s LYS 55 Cb 0.00 -1.92 1.01 0.00 -0.52 0.00 0.00 37.83 36.40 1sgy s LYS 55 CO 0.00 -1.36 1.41 0.00 -0.92 0.00 0.00 175.35 174.48