#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgr s ASP 7 N 0.00 4.43 -0.28 6.55 2.15 -1.26 -4.99 116.67 123.26 1sgr s ASP 7 Ca 0.00 -0.34 0.09 0.00 0.43 0.00 0.00 52.55 52.73 1sgr s ASP 7 Cb 0.00 -1.76 0.69 0.00 -0.30 0.00 0.00 42.92 41.55 1sgr s ASP 7 CO 0.00 0.01 1.70 0.00 -0.17 0.00 0.00 175.17 176.70 1sgr h SER 9 N 2.59 0.00 -0.58 0.00 4.64 -1.98 -2.62 113.55 115.60 1sgr h SER 9 Ca 0.21 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.31 1sgr h SER 9 Cb 2.15 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 64.11 1sgr h SER 9 CO 0.65 0.21 0.28 -0.62 -0.87 0.00 0.00 176.83 176.47 1sgr n GLU 10 N -3.66 2.62 -3.56 4.77 4.71 -1.26 -4.86 120.64 119.40 1sgr n GLU 10 Ca -0.01 -2.14 -0.20 0.00 -0.01 0.00 0.00 57.16 54.79 1sgr n GLU 10 Cb 0.33 -1.91 -0.03 0.00 -1.01 0.00 0.00 31.44 28.83 1sgr n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1sgr s TYR 11 N -2.27 2.79 0.85 -0.32 1.51 -0.99 -4.54 117.35 114.38 1sgr s TYR 11 Ca 0.39 -0.42 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 1sgr s TYR 11 Cb 0.32 -2.09 0.11 0.00 -0.11 0.00 0.00 41.96 40.19 1sgr s TYR 11 CO 0.09 -0.07 1.20 -1.25 -1.11 0.00 0.00 175.55 174.41 1sgr s PRO 12 N -4.12 1.58 -0.08 -1.71 0.04 -1.26 -5.03 135.00 124.41 1sgr s PRO 12 Ca 0.47 0.03 0.04 0.00 0.04 0.00 0.00 61.00 61.58 1sgr s PRO 12 Cb -0.05 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1sgr s PRO 12 CO 0.28 -1.85 -0.20 0.15 0.04 0.00 0.00 177.00 175.43 1sgr s LYS 13 N -5.60 2.50 0.17 4.56 1.02 -1.26 -5.05 119.74 116.07 1sgr s LYS 13 Ca 0.64 -0.71 0.20 0.00 0.02 0.00 0.00 55.97 56.13 1sgr s LYS 13 Cb -0.10 -1.95 0.85 0.00 -0.52 0.00 0.00 37.83 36.11 1sgr s LYS 13 CO 0.50 0.14 1.62 -0.35 -0.92 0.00 0.00 175.35 176.35 1sgr n PRO 14 N 3.56 0.13 -3.55 -1.68 -0.04 -1.26 -4.77 135.00 127.39 1sgr n PRO 14 Ca -0.20 0.36 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 1sgr n PRO 14 Cb 0.53 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 1sgr n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sgr s ALA 15 N -3.20 -1.49 0.03 0.55 0.00 -1.26 -5.17 121.76 111.23 1sgr s ALA 15 Ca 0.05 0.84 0.07 0.00 0.00 0.00 0.00 51.96 52.93 1sgr s ALA 15 Cb 0.09 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1sgr s ALA 15 CO 0.35 -0.46 -0.21 0.00 0.00 0.00 0.00 175.76 175.44 1sgr s THR 17 N -0.75 2.57 -0.29 0.00 -4.23 -1.26 -4.99 115.64 106.69 1sgr s THR 17 Ca 0.07 0.19 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 1sgr s THR 17 Cb -0.09 -2.45 0.45 0.00 1.34 0.00 0.00 72.50 71.76 1sgr s THR 17 CO 0.01 -0.24 1.26 0.18 -0.54 0.00 0.00 174.62 175.29 1sgr n LEU 18 N -4.02 4.53 -4.85 4.79 4.77 -1.26 -4.92 117.00 116.04 1sgr n LEU 18 Ca 0.09 -4.48 -0.32 0.00 -0.03 0.00 0.00 56.01 51.27 1sgr n LEU 18 Cb 0.53 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1sgr n LEU 18 CO 0.53 1.87 0.70 -1.83 -1.33 0.00 0.00 177.39 177.33 1sgr s GLU 19 N -3.51 3.68 -0.29 3.23 1.03 -1.26 -5.04 118.70 116.54 1sgr s GLU 19 Ca 0.48 0.92 -0.07 0.00 0.03 0.00 0.00 54.97 56.33 1sgr s GLU 19 Cb 0.41 -2.09 0.00 0.00 -0.80 0.00 0.00 34.13 31.65 1sgr s GLU 19 CO 0.01 -0.50 0.08 -0.47 -1.33 0.00 0.00 175.26 173.05 1sgr s TYR 20 N -2.82 3.14 -0.38 4.83 5.04 -1.26 -4.55 117.35 121.34 1sgr s TYR 20 Ca 0.58 -0.92 0.03 0.00 -2.44 0.00 0.00 57.07 54.32 1sgr s TYR 20 Cb -0.11 -2.25 0.16 0.00 0.35 0.00 0.00 41.96 40.10 1sgr s TYR 20 CO 0.41 -0.55 0.35 1.03 -1.34 0.00 0.00 175.55 175.45 1sgr s ARG 21 N 1.51 0.67 0.64 4.97 0.52 0.43 -5.03 118.95 122.66 1sgr s ARG 21 Ca 0.03 -1.15 -0.11 0.00 -0.52 0.00 0.00 55.73 53.98 1sgr s ARG 21 Cb -0.17 -0.91 -0.03 0.00 0.52 0.00 0.00 34.95 34.36 1sgr s ARG 21 CO 0.02 -1.23 1.04 -1.25 0.02 0.00 0.00 175.30 173.90 1sgr s PRO 22 N 1.14 3.42 0.05 3.54 0.04 -1.23 -3.87 135.00 138.09 1sgr s PRO 22 Ca 0.20 0.75 0.03 0.00 0.04 0.00 0.00 61.00 62.02 1sgr s PRO 22 Cb -0.14 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1sgr s PRO 22 CO -0.04 -0.70 -0.08 -0.51 0.04 0.00 0.00 177.00 175.71 1sgr s LEU 23 N -5.26 2.29 -0.22 -3.56 1.43 -0.52 -1.04 118.68 111.81 1sgr s LEU 23 Ca 0.56 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 1sgr s LEU 23 Cb -0.11 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 1sgr s LEU 23 CO 0.54 -0.22 0.00 0.00 0.23 0.00 0.00 176.35 176.90 1sgr s GLY 25 N 1.29 1.67 0.00 0.00 0.00 -0.42 -0.72 107.32 109.14 1sgr s GLY 25 Ca 0.04 -0.92 0.14 0.00 0.00 0.00 0.00 44.72 43.98 1sgr s GLY 25 CO 0.01 -0.59 1.40 -1.14 0.00 0.00 0.00 173.10 172.78 1sgr n SER 26 N -2.65 0.00 -1.64 1.64 3.41 0.32 -1.11 113.62 113.59 1sgr n SER 26 Ca 0.06 0.21 0.09 0.00 -0.26 0.00 0.00 58.87 58.98 1sgr n SER 26 Cb 0.59 -0.35 0.37 0.00 -0.26 0.00 0.00 64.21 64.55 1sgr n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sgr n ASP 27 N -1.35 4.89 -0.97 4.04 5.75 -1.26 -4.92 116.55 122.73 1sgr n ASP 27 Ca 0.06 -2.51 -0.13 0.00 -0.01 0.00 0.00 54.79 52.20 1sgr n ASP 27 Cb 0.13 -0.60 -0.05 0.00 -1.03 0.00 0.00 41.12 39.57 1sgr n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sgr n ASN 28 N 1.07 -4.96 -4.81 -1.12 3.02 -0.26 -5.00 115.26 103.20 1sgr n ASN 28 Ca 0.26 0.31 -0.37 0.00 -0.03 0.00 0.00 54.58 54.76 1sgr n ASN 28 Cb 0.93 -3.58 -0.07 0.00 -0.61 0.00 0.00 39.78 36.46 1sgr n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1sgr s LYS 29 N -2.98 3.83 -0.10 3.52 2.20 -1.25 -4.88 119.74 120.07 1sgr s LYS 29 Ca 0.00 0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.32 1sgr s LYS 29 Cb 0.00 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 1sgr s LYS 29 CO 0.00 0.57 1.20 0.99 -0.36 0.00 0.00 175.35 177.75 1sgr s THR 30 N -0.49 4.32 -0.14 3.43 2.01 -1.26 -1.30 115.64 122.20 1sgr s THR 30 Ca 0.16 1.62 -0.18 0.00 0.31 0.00 0.00 61.69 63.59 1sgr s THR 30 Cb -0.13 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1sgr s THR 30 CO 0.05 -0.06 0.49 -0.31 -0.69 0.00 0.00 174.62 174.11 1sgr s TYR 31 N 2.68 3.48 -0.57 4.92 1.51 0.52 -4.95 117.35 124.94 1sgr s TYR 31 Ca 0.54 0.87 0.24 0.00 -1.01 0.00 0.00 57.07 57.72 1sgr s TYR 31 Cb -0.23 -2.59 0.93 0.00 -0.11 0.00 0.00 41.96 39.96 1sgr s TYR 31 CO 0.18 0.10 1.73 0.41 -1.11 0.00 0.00 175.55 176.86 1sgr n GLY 32 N 3.41 -1.40 3.79 0.71 0.00 -1.26 -1.43 105.19 109.01 1sgr n GLY 32 Ca -0.06 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1sgr n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgr s ASN 33 N -4.27 -0.15 0.30 1.61 2.20 -1.25 -0.43 114.94 112.94 1sgr s ASN 33 Ca 0.06 -0.52 -0.00 0.00 -0.94 0.00 0.00 52.86 51.46 1sgr s ASN 33 Cb 0.10 0.55 0.46 0.00 -2.00 0.00 0.00 41.25 40.36 1sgr s ASN 33 CO 0.45 -1.03 1.86 0.50 -2.94 0.00 0.00 177.10 175.93 1sgr h LYS 34 N 2.00 0.80 -0.33 3.55 3.64 -1.89 -0.67 116.57 123.66 1sgr h LYS 34 Ca -0.24 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 1sgr h LYS 34 Cb 1.23 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1sgr h LYS 34 CO 0.27 0.70 0.15 0.00 -2.27 0.00 0.00 179.45 178.30 1sgr h ASN 36 N 0.39 0.97 -0.49 0.00 -0.26 -1.81 -2.00 115.58 112.39 1sgr h ASN 36 Ca 0.11 -0.35 -0.05 0.00 -0.56 0.00 0.00 56.30 55.45 1sgr h ASN 36 Cb 0.14 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 1sgr h ASN 36 CO -0.01 1.13 0.10 0.15 -1.06 0.00 0.00 177.43 177.74 1sgr h PHE 37 N 0.84 0.84 -0.18 1.19 3.57 -0.82 -2.29 116.94 120.09 1sgr h PHE 37 Ca 0.12 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1sgr h PHE 37 Cb 0.75 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1sgr h PHE 37 CO 0.05 0.77 -0.26 0.00 -2.23 0.00 0.00 178.31 176.63 1sgr h ASN 39 N 0.30 0.50 0.68 0.00 2.35 -1.22 -1.52 115.58 116.67 1sgr h ASN 39 Ca 0.05 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.50 1sgr h ASN 39 Cb 0.62 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1sgr h ASN 39 CO 0.04 0.69 -0.72 0.00 -1.65 0.00 0.00 177.43 175.80 1sgr h ALA 40 N 1.35 0.80 -0.23 -0.83 0.00 -0.78 -1.40 119.26 118.16 1sgr h ALA 40 Ca 0.08 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1sgr h ALA 40 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1sgr h ALA 40 CO 0.04 0.88 0.12 0.28 0.00 0.00 0.00 179.25 180.57 1sgr h VAL 41 N 0.02 1.13 -0.82 0.00 2.07 -0.73 -1.19 116.25 116.73 1sgr h VAL 41 Ca -0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1sgr h VAL 41 Cb 1.27 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1sgr h VAL 41 CO 0.10 0.12 0.44 0.58 0.02 0.00 0.00 177.57 178.83 1sgr h VAL 42 N 0.26 1.24 0.00 2.57 2.07 -1.15 -1.30 116.25 119.95 1sgr h VAL 42 Ca 0.08 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1sgr h VAL 42 Cb 0.09 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1sgr h VAL 42 CO -0.01 0.27 -0.01 -0.08 0.02 0.00 0.00 177.57 177.76 1sgr h GLU 43 N 1.14 0.00 -0.60 1.57 4.81 -0.94 0.24 114.58 120.79 1sgr h GLU 43 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1sgr h GLU 43 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1sgr h GLU 43 CO -0.04 0.01 0.00 -1.13 -0.73 0.00 0.00 179.01 177.12 1sgr n SER 44 N -3.14 3.21 -3.68 1.04 3.41 -0.48 -4.91 113.62 109.07 1sgr n SER 44 Ca -0.01 -2.00 -0.25 0.00 -0.26 0.00 0.00 58.87 56.35 1sgr n SER 44 Cb 0.21 -0.40 0.06 0.00 -0.26 0.00 0.00 64.21 63.83 1sgr n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sgr n ASN 45 N 1.26 -5.39 0.00 4.04 5.15 0.83 -1.87 115.26 119.28 1sgr n ASN 45 Ca 0.20 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 1sgr n ASN 45 Cb 0.51 -4.67 0.00 0.00 -0.53 0.00 0.00 39.78 35.08 1sgr n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sgr n GLY 46 N -1.84 0.63 0.08 8.20 0.00 -0.73 -4.96 105.19 106.57 1sgr n GLY 46 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1sgr n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sgr h THR 47 N 0.00 0.00 -3.67 2.61 1.35 -1.56 -3.46 112.91 108.18 1sgr h THR 47 Ca 0.00 -0.62 -0.50 0.00 -0.55 0.00 0.00 66.41 64.73 1sgr h THR 47 Cb 0.00 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.55 1sgr h THR 47 CO 0.00 0.00 0.31 -0.22 -0.25 0.00 0.00 175.52 175.36 1sgr s LEU 48 N -4.50 4.61 0.38 3.87 2.96 -1.26 -5.04 118.68 119.69 1sgr s LEU 48 Ca 0.04 1.85 0.04 0.00 -0.22 0.00 0.00 54.13 55.84 1sgr s LEU 48 Cb 0.12 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 1sgr s LEU 48 CO 0.75 0.13 0.07 0.42 -1.32 0.00 0.00 176.35 176.40 1sgr s THR 49 N -0.96 1.06 -0.08 3.68 -4.23 -1.26 -4.81 115.64 109.05 1sgr s THR 49 Ca 0.41 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.71 1sgr s THR 49 Cb -0.25 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 1sgr s THR 49 CO 0.30 0.00 0.58 -0.22 -0.54 0.00 0.00 174.62 174.74 1sgr s LEU 50 N -3.59 4.31 -0.11 4.79 2.96 -1.26 -0.52 118.68 125.26 1sgr s LEU 50 Ca 0.29 1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 55.16 1sgr s LEU 50 Cb 0.06 -2.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.85 1sgr s LEU 50 CO 0.14 -0.03 -0.10 -1.28 -1.32 0.00 0.00 176.35 173.76 1sgr h SER 51 N 6.56 0.00 -5.04 3.68 0.87 -1.17 -3.45 113.55 115.00 1sgr h SER 51 Ca -0.42 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.22 1sgr h SER 51 Cb 1.19 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.07 1sgr h SER 51 CO 0.74 0.59 0.32 -1.38 -0.53 0.00 0.00 176.83 176.57 1sgr s HIS 52 N -1.88 -0.27 0.53 2.24 0.00 -1.07 -5.02 115.29 109.81 1sgr s HIS 52 Ca -0.08 -0.06 -0.17 0.00 -3.00 0.00 0.00 55.06 51.74 1sgr s HIS 52 Cb 0.01 0.64 -0.07 0.00 -4.00 0.00 0.00 32.58 29.16 1sgr s HIS 52 CO 0.12 -0.98 1.01 -0.06 -1.00 0.00 0.00 174.74 173.83 1sgr s PHE 53 N -3.64 3.22 0.00 0.38 0.08 -1.26 -0.61 117.98 116.14 1sgr s PHE 53 Ca 0.08 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.65 1sgr s PHE 53 Cb -0.03 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 1sgr s PHE 53 CO -0.00 -0.65 0.00 0.41 -0.10 0.00 0.00 175.22 174.88 1sgr n GLY 54 N -1.07 0.51 3.78 4.36 0.00 -0.20 -4.72 105.19 107.85 1sgr n GLY 54 Ca 0.08 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 1sgr n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgr s LYS 55 N -1.64 3.12 0.00 1.61 1.02 -1.26 -2.05 119.74 120.54 1sgr s LYS 55 Ca 0.00 1.39 0.17 0.00 0.02 0.00 0.00 55.97 57.56 1sgr s LYS 55 Cb 0.00 -1.99 1.04 0.00 -0.52 0.00 0.00 37.83 36.36 1sgr s LYS 55 CO 0.00 -0.99 1.44 0.00 -0.92 0.00 0.00 175.35 174.88