#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hja s ASP 7 N 0.00 6.27 -0.14 4.52 -1.08 -1.26 -4.89 116.67 120.09 1hja s ASP 7 Ca 0.00 -0.42 0.16 0.00 -0.52 0.00 0.00 52.55 51.77 1hja s ASP 7 Cb 0.00 -2.27 0.41 0.00 -1.46 0.00 0.00 42.92 39.60 1hja s ASP 7 CO 0.00 -0.65 1.31 0.00 0.52 0.00 0.00 175.17 176.35 1hja h SER 9 N 1.24 0.00 0.51 0.00 0.02 -1.97 -2.58 113.55 110.76 1hja h SER 9 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1hja h SER 9 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1hja h SER 9 CO 0.13 0.24 0.00 -0.62 -1.14 0.00 0.00 176.83 175.44 1hja n GLU 10 N -4.09 0.25 -3.18 3.45 4.71 -1.26 -4.83 120.64 115.68 1hja n GLU 10 Ca -0.02 0.08 -0.18 0.00 -0.01 0.00 0.00 57.16 57.02 1hja n GLU 10 Cb 0.31 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.24 1hja n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1hja s TYR 11 N -2.67 2.97 0.96 -0.32 1.51 -0.98 -4.70 117.35 114.12 1hja s TYR 11 Ca 0.19 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 55.88 1hja s TYR 11 Cb 0.15 -2.23 0.17 0.00 -0.11 0.00 0.00 41.96 39.94 1hja s TYR 11 CO 0.36 -0.27 1.11 -2.14 -1.11 0.00 0.00 175.55 173.50 1hja s PRO 12 N -4.31 0.71 -0.08 -1.71 0.02 -1.26 -5.05 135.00 123.31 1hja s PRO 12 Ca 0.50 1.27 -0.03 0.00 0.02 0.00 0.00 61.00 62.76 1hja s PRO 12 Cb -0.10 -1.71 0.05 0.00 0.02 0.00 0.00 34.50 32.76 1hja s PRO 12 CO 0.33 -2.75 0.17 0.15 -0.33 0.00 0.00 177.00 174.56 1hja s LYS 13 N -4.66 0.05 0.51 5.54 1.02 -1.26 -5.03 119.74 115.91 1hja s LYS 13 Ca 0.66 0.55 0.33 0.00 0.02 0.00 0.00 55.97 57.53 1hja s LYS 13 Cb -0.22 -0.24 1.50 0.00 -0.52 0.00 0.00 37.83 38.35 1hja s LYS 13 CO 0.59 -0.28 1.99 -1.00 -0.92 0.00 0.00 175.35 175.73 1hja h PRO 14 N 8.16 0.00 -4.99 -1.68 0.13 -2.01 -3.43 132.00 128.19 1hja h PRO 14 Ca -0.18 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.52 1hja h PRO 14 Cb 1.12 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.97 1hja h PRO 14 CO 0.19 0.00 -0.79 0.00 -0.23 0.00 0.00 178.00 177.17 1hja s ALA 15 N -3.69 0.94 0.08 -0.56 0.00 -1.26 -5.15 121.76 112.12 1hja s ALA 15 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1hja s ALA 15 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1hja s ALA 15 CO 0.47 0.21 -0.11 0.00 0.00 0.00 0.00 175.76 176.33 1hja s THR 17 N -1.98 2.99 -0.46 0.00 -4.23 -1.26 -5.02 115.64 105.69 1hja s THR 17 Ca 0.02 0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 1hja s THR 17 Cb -0.06 -3.26 0.45 0.00 1.34 0.00 0.00 72.50 70.97 1hja s THR 17 CO 0.01 -0.42 1.55 0.29 -0.54 0.00 0.00 174.62 175.51 1hja n LYS 18 N -3.20 3.22 -2.50 3.99 5.02 -1.26 -4.99 118.16 118.44 1hja n LYS 18 Ca 0.07 -3.81 -0.28 0.00 -2.02 0.00 0.00 58.31 52.26 1hja n LYS 18 Cb 0.58 -2.28 -0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1hja n LYS 18 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1hja s GLU 19 N -3.70 3.59 -0.47 1.97 1.03 -1.26 -5.04 118.70 114.81 1hja s GLU 19 Ca 0.57 0.35 -0.04 0.00 0.03 0.00 0.00 54.97 55.88 1hja s GLU 19 Cb 0.45 -2.31 0.12 0.00 -0.80 0.00 0.00 34.13 31.59 1hja s GLU 19 CO 0.00 -0.26 0.29 -0.47 -1.33 0.00 0.00 175.26 173.49 1hja s TYR 20 N -2.79 3.53 -0.47 4.83 5.04 -1.26 -4.56 117.35 121.67 1hja s TYR 20 Ca 0.49 -2.39 0.06 0.00 -2.44 0.00 0.00 57.07 52.80 1hja s TYR 20 Cb -0.10 -3.27 0.22 0.00 0.35 0.00 0.00 41.96 39.16 1hja s TYR 20 CO 0.45 -0.95 0.52 0.54 -1.34 0.00 0.00 175.55 174.78 1hja n ARG 21 N 4.39 1.07 -1.64 4.97 5.12 -0.23 -5.02 116.66 125.32 1hja n ARG 21 Ca -0.01 -3.62 -0.41 0.00 -1.93 0.00 0.00 57.85 51.88 1hja n ARG 21 Cb 0.41 -1.62 0.01 0.00 -1.16 0.00 0.00 32.46 30.09 1hja n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1hja n PRO 22 N 1.66 1.52 -4.30 5.56 -0.04 -1.13 -3.91 135.00 134.37 1hja n PRO 22 Ca 0.25 0.54 -0.19 0.00 -0.04 0.00 0.00 63.50 64.06 1hja n PRO 22 Cb 0.48 -2.13 -0.15 0.00 -0.04 0.00 0.00 33.50 31.66 1hja n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hja s LEU 23 N -0.81 1.75 -0.23 1.53 1.02 -0.20 -0.26 118.68 121.48 1hja s LEU 23 Ca 0.62 -0.15 -0.15 0.00 0.02 0.00 0.00 54.13 54.47 1hja s LEU 23 Cb -0.55 -0.47 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 1hja s LEU 23 CO 0.57 0.04 0.37 0.00 0.02 0.00 0.00 176.35 177.35 1hja s GLY 25 N 1.28 1.57 0.00 0.00 0.00 -0.15 -1.14 107.32 108.88 1hja s GLY 25 Ca 0.16 -0.52 0.11 0.00 0.00 0.00 0.00 44.72 44.47 1hja s GLY 25 CO 0.08 -0.28 1.08 -1.14 0.00 0.00 0.00 173.10 172.84 1hja n SER 26 N -2.51 0.00 -1.03 1.64 3.41 0.11 -1.46 113.62 113.78 1hja n SER 26 Ca 0.03 -0.70 0.12 0.00 -0.26 0.00 0.00 58.87 58.06 1hja n SER 26 Cb 0.56 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.71 1hja n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1hja n ASP 27 N -0.82 3.12 -1.43 4.04 5.75 -1.26 -4.95 116.55 120.99 1hja n ASP 27 Ca 0.08 -1.96 -0.11 0.00 -0.01 0.00 0.00 54.79 52.79 1hja n ASP 27 Cb 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1hja n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1hja n ASN 28 N 1.32 -3.73 -4.28 -1.12 4.05 -0.53 -5.03 115.26 105.93 1hja n ASN 28 Ca 0.17 -0.07 -0.31 0.00 0.45 0.00 0.00 54.58 54.83 1hja n ASN 28 Cb 0.58 -2.83 -0.16 0.00 1.23 0.00 0.00 39.78 38.60 1hja n ASN 28 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1hja s LYS 29 N -4.79 2.32 -0.31 1.20 2.20 -1.25 -4.95 119.74 114.16 1hja s LYS 29 Ca 0.07 -0.90 -0.19 0.00 -0.36 0.00 0.00 55.97 54.58 1hja s LYS 29 Cb -0.03 -2.08 -0.01 0.00 -1.51 0.00 0.00 37.83 34.20 1hja s LYS 29 CO 0.08 0.45 0.57 0.99 -0.36 0.00 0.00 175.35 177.08 1hja s THR 30 N -0.35 4.99 -0.18 3.43 2.01 -1.26 -0.98 115.64 123.29 1hja s THR 30 Ca 0.02 0.68 -0.15 0.00 0.31 0.00 0.00 61.69 62.55 1hja s THR 30 Cb -0.12 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1hja s THR 30 CO 0.02 -0.12 0.35 -0.31 -0.69 0.00 0.00 174.62 173.86 1hja s TYR 31 N 2.48 3.41 0.50 4.92 2.02 0.44 -4.92 117.35 126.19 1hja s TYR 31 Ca 0.22 0.60 0.30 0.00 -0.37 0.00 0.00 57.07 57.83 1hja s TYR 31 Cb -0.15 -2.45 1.40 0.00 -0.40 0.00 0.00 41.96 40.36 1hja s TYR 31 CO 0.12 0.09 1.81 0.78 -1.57 0.00 0.00 175.55 176.78 1hja h GLY 32 N 7.22 0.38 -1.73 0.71 0.00 -1.89 -0.50 103.07 107.27 1hja h GLY 32 Ca -0.38 -0.06 0.16 0.00 0.00 0.00 0.00 47.33 47.04 1hja h GLY 32 CO 0.73 -0.04 0.55 0.54 0.00 0.00 0.00 176.54 178.32 1hja s ASN 33 N -5.27 -0.04 0.44 0.19 2.20 -1.25 -1.07 114.94 110.14 1hja s ASN 33 Ca -0.06 -0.62 0.10 0.00 -0.94 0.00 0.00 52.86 51.33 1hja s ASN 33 Cb 0.23 0.51 0.97 0.00 -2.00 0.00 0.00 41.25 40.96 1hja s ASN 33 CO 0.80 -0.99 2.08 0.50 -2.94 0.00 0.00 177.10 176.55 1hja h LYS 34 N 2.00 0.40 0.02 3.55 3.64 -1.88 -1.90 116.57 122.40 1hja h LYS 34 Ca -0.27 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1hja h LYS 34 Cb 1.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1hja h LYS 34 CO 0.34 0.26 -0.01 0.00 -2.27 0.00 0.00 179.45 177.77 1hja n ASN 36 N -5.00 0.66 0.03 0.00 0.23 -1.06 -1.80 115.26 108.32 1hja n ASN 36 Ca -0.08 0.60 -0.19 0.00 -0.53 0.00 0.00 54.58 54.38 1hja n ASN 36 Cb 0.13 -0.76 -0.14 0.00 -2.08 0.00 0.00 39.78 36.94 1hja n ASN 36 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1hja h PHE 37 N 0.00 0.51 -0.53 -2.53 3.57 -1.18 -2.89 116.94 113.89 1hja h PHE 37 Ca 0.00 -0.35 -0.09 0.00 3.53 0.00 0.00 57.97 61.06 1hja h PHE 37 Cb 0.57 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1hja h PHE 37 CO 0.00 1.25 -0.01 0.00 -2.23 0.00 0.00 178.31 177.31 1hja h ASN 39 N 0.84 1.07 1.34 0.00 2.35 -1.43 -2.17 115.58 117.59 1hja h ASN 39 Ca 0.15 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1hja h ASN 39 Cb 0.51 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1hja h ASN 39 CO 0.03 0.78 -0.24 0.00 -1.65 0.00 0.00 177.43 176.35 1hja h ALA 40 N 1.42 0.91 0.00 -0.83 0.00 -1.25 -3.10 119.26 116.41 1hja h ALA 40 Ca 0.34 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1hja h ALA 40 Cb -0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1hja h ALA 40 CO -0.07 0.30 -0.38 0.28 0.00 0.00 0.00 179.25 179.37 1hja h VAL 41 N 0.00 0.91 0.00 0.00 2.07 -0.64 -2.78 116.25 115.81 1hja h VAL 41 Ca -0.00 -1.54 -0.11 0.00 0.82 0.00 0.00 66.70 65.87 1hja h VAL 41 Cb 0.97 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1hja h VAL 41 CO 0.03 0.38 -0.89 -0.37 0.02 0.00 0.00 177.57 176.74 1hja h VAL 42 N 0.00 0.56 0.41 2.57 -1.51 -1.43 -2.60 116.25 114.25 1hja h VAL 42 Ca -0.00 -1.91 -0.02 0.00 -1.23 0.00 0.00 66.70 63.54 1hja h VAL 42 Cb 0.90 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 32.20 1hja h VAL 42 CO 0.05 0.32 -0.20 -0.33 -1.23 0.00 0.00 177.57 176.18 1hja h GLU 43 N 0.00 -0.53 0.00 5.19 3.07 -1.47 -2.85 114.58 117.99 1hja h GLU 43 Ca -0.07 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1hja h GLU 43 Cb 1.39 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.42 1hja h GLU 43 CO 0.05 -0.23 0.02 -1.13 -1.40 0.00 0.00 179.01 176.32 1hja n SER 44 N -5.17 0.00 -3.62 1.42 3.41 -1.06 -4.84 113.62 103.76 1hja n SER 44 Ca -0.09 0.47 -0.27 0.00 -0.26 0.00 0.00 58.87 58.73 1hja n SER 44 Cb 0.28 -0.47 0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1hja n SER 44 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1hja n ASN 45 N -1.47 -4.64 0.00 4.04 0.23 -1.08 -2.75 115.26 109.60 1hja n ASN 45 Ca 0.00 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 1hja n ASN 45 Cb 0.02 -3.81 0.00 0.00 -2.08 0.00 0.00 39.78 33.91 1hja n ASN 45 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hja n GLY 46 N -1.60 2.85 0.28 4.83 0.00 -0.99 -4.91 105.19 105.66 1hja n GLY 46 Ca -0.13 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.08 1hja n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1hja h THR 47 N 0.00 0.00 -3.32 2.61 1.35 -1.77 -3.42 112.91 108.36 1hja h THR 47 Ca 0.00 -0.14 -0.58 0.00 -0.55 0.00 0.00 66.41 65.13 1hja h THR 47 Cb 0.00 1.04 -0.09 0.00 -1.73 0.00 0.00 68.15 67.37 1hja h THR 47 CO 0.00 0.00 -0.23 -0.22 -0.25 0.00 0.00 175.52 174.82 1hja s LEU 48 N -5.78 4.25 0.31 3.87 2.96 -1.26 -5.02 118.68 118.01 1hja s LEU 48 Ca -0.02 0.65 0.05 0.00 -0.22 0.00 0.00 54.13 54.58 1hja s LEU 48 Cb 0.11 -2.53 -0.06 0.00 0.50 0.00 0.00 46.19 44.21 1hja s LEU 48 CO 0.41 0.04 0.01 0.42 -1.32 0.00 0.00 176.35 175.92 1hja s THR 49 N 0.59 1.35 -0.06 3.68 -4.23 -1.26 -4.86 115.64 110.86 1hja s THR 49 Ca 0.21 -2.04 -0.24 0.00 -1.18 0.00 0.00 61.69 58.44 1hja s THR 49 Cb -0.14 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1hja s THR 49 CO 0.07 -0.13 0.70 -0.22 -0.54 0.00 0.00 174.62 174.51 1hja s LEU 50 N -3.47 4.32 -0.09 4.79 2.96 -1.26 0.06 118.68 125.99 1hja s LEU 50 Ca 0.33 1.20 0.19 0.00 -0.22 0.00 0.00 54.13 55.64 1hja s LEU 50 Cb 0.07 -3.09 -0.27 0.00 0.50 0.00 0.00 46.19 43.40 1hja s LEU 50 CO 0.14 -0.11 0.35 -1.54 -1.32 0.00 0.00 176.35 173.87 1hja n SER 51 N 3.75 0.13 0.00 3.68 3.41 -0.29 -4.74 113.62 119.57 1hja n SER 51 Ca -0.01 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1hja n SER 51 Cb 0.51 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.73 1hja n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hja n HIS 52 N -2.57 0.00 -2.72 7.33 -0.00 -1.18 -5.05 115.22 111.04 1hja n HIS 52 Ca -0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.21 1hja n HIS 52 Cb 0.87 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.80 1hja n HIS 52 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1hja s PHE 53 N -2.00 3.30 0.00 -1.40 0.08 -1.26 -0.70 117.98 116.00 1hja s PHE 53 Ca 0.00 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.63 1hja s PHE 53 Cb 0.00 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.59 1hja s PHE 53 CO 0.00 -0.23 0.00 0.41 -0.10 0.00 0.00 175.22 175.30 1hja n GLY 54 N -0.77 -3.40 3.74 4.36 0.00 0.64 -4.74 105.19 105.02 1hja n GLY 54 Ca 0.07 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 1hja n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hja s LYS 55 N -0.93 2.79 0.00 1.61 3.01 -1.26 -2.38 119.74 122.57 1hja s LYS 55 Ca 0.00 2.14 0.14 0.00 -1.01 0.00 0.00 55.97 57.25 1hja s LYS 55 Cb 0.00 -2.01 0.86 0.00 -1.01 0.00 0.00 37.83 35.67 1hja s LYS 55 CO 0.00 -1.44 1.28 0.00 0.51 0.00 0.00 175.35 175.70