#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkz s THR 2 N 0.00 0.64 0.03 -0.18 -1.32 -1.26 -3.96 115.64 109.60 1jkz s THR 2 Ca 0.00 -1.94 0.07 0.00 -1.21 0.00 0.00 61.69 58.61 1jkz s THR 2 Cb 0.00 -1.81 -0.02 0.00 -1.51 0.00 0.00 72.50 69.16 1jkz s THR 2 CO 0.00 -0.75 -0.20 0.00 -2.21 0.00 0.00 174.62 171.46 1jkz s GLU 4 N -1.03 2.58 -0.02 0.00 2.02 -1.26 -2.25 118.70 118.75 1jkz s GLU 4 Ca 0.07 -0.90 0.02 0.00 0.02 0.00 0.00 54.97 54.18 1jkz s GLU 4 Cb -0.08 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1jkz s GLU 4 CO 0.01 0.51 -0.07 -1.01 0.02 0.00 0.00 175.26 174.73 1jkz s HIS 5 N -1.48 0.72 -0.16 1.61 3.76 -1.02 -4.92 115.29 113.80 1jkz s HIS 5 Ca 0.27 -0.16 -0.21 0.00 -0.15 0.00 0.00 55.06 54.81 1jkz s HIS 5 Cb -0.11 -0.52 -0.03 0.00 1.11 0.00 0.00 32.58 33.03 1jkz s HIS 5 CO 0.19 -0.07 0.63 -1.17 -0.85 0.00 0.00 174.74 173.47 1jkz s LEU 6 N 0.18 4.20 -0.25 0.89 0.20 -1.26 -0.86 118.68 121.78 1jkz s LEU 6 Ca -0.02 0.92 -0.22 0.00 0.69 0.00 0.00 54.13 55.49 1jkz s LEU 6 Cb -0.07 -2.91 -0.01 0.00 -0.43 0.00 0.00 46.19 42.77 1jkz s LEU 6 CO -0.00 -0.20 0.73 0.00 -0.29 0.00 0.00 176.35 176.59 1jkz s ALA 7 N 1.50 3.63 -0.98 5.97 0.00 -0.92 -4.94 121.76 126.01 1jkz s ALA 7 Ca 0.30 -0.28 0.12 0.00 0.00 0.00 0.00 51.96 52.10 1jkz s ALA 7 Cb -0.16 -3.16 0.51 0.00 0.00 0.00 0.00 23.12 20.31 1jkz s ALA 7 CO 0.12 -0.87 1.38 -0.25 0.00 0.00 0.00 175.76 176.14 1jkz n ASP 8 N 5.86 0.02 -3.56 0.00 8.00 -1.26 -3.73 116.55 121.88 1jkz n ASP 8 Ca 0.03 0.51 -0.37 0.00 0.71 0.00 0.00 54.79 55.66 1jkz n ASP 8 Cb 0.48 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 1jkz n ASP 8 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1jkz n THR 9 N -1.53 4.90 -3.45 -3.53 -2.24 -1.26 -5.00 114.28 102.19 1jkz n THR 9 Ca 0.03 -5.81 -0.11 0.00 -2.27 0.00 0.00 64.05 55.88 1jkz n THR 9 Cb 0.14 -1.71 0.01 0.00 -2.10 0.00 0.00 70.33 66.67 1jkz n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jkz n TYR 10 N 0.34 -1.64 -1.45 4.78 9.36 -1.24 -5.00 117.16 122.30 1jkz n TYR 10 Ca 0.37 -1.09 -0.21 0.00 3.32 0.00 0.00 57.90 60.29 1jkz n TYR 10 Cb 0.32 -0.23 0.13 0.00 -0.63 0.00 0.00 39.34 38.93 1jkz n TYR 10 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1jkz n ARG 11 N -1.30 2.46 0.00 2.98 1.74 -1.26 -5.04 116.66 116.24 1jkz n ARG 11 Ca 0.02 -3.33 0.00 0.00 -0.77 0.00 0.00 57.85 53.78 1jkz n ARG 11 Cb 0.30 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 1jkz n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jkz n GLY 12 N -1.01 1.54 3.88 -0.13 0.00 -1.26 -4.88 105.19 103.33 1jkz n GLY 12 Ca 0.50 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1jkz n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkz s VAL 13 N 0.00 4.85 0.05 1.61 1.01 -1.26 -4.59 120.40 122.06 1jkz s VAL 13 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1jkz s VAL 13 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1jkz s VAL 13 CO 0.00 -0.42 0.12 0.00 0.00 0.00 0.00 175.10 174.79 1jkz n PHE 15 N 0.60 -0.03 -4.28 0.00 3.01 -1.26 -4.96 117.46 110.54 1jkz n PHE 15 Ca -0.09 0.01 -0.21 0.00 1.01 0.00 0.00 57.45 58.17 1jkz n PHE 15 Cb 0.52 0.04 -0.12 0.00 -0.01 0.00 0.00 39.48 39.91 1jkz n PHE 15 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1jkz s THR 16 N -2.00 1.58 0.43 4.37 -4.23 -1.26 -5.04 115.64 109.49 1jkz s THR 16 Ca 0.00 -1.70 0.17 0.00 -1.18 0.00 0.00 61.69 58.98 1jkz s THR 16 Cb 0.00 -1.60 0.37 0.00 1.34 0.00 0.00 72.50 72.61 1jkz s THR 16 CO 0.00 -0.27 1.90 0.78 -0.54 0.00 0.00 174.62 176.49 1jkz h ASN 17 N 3.65 0.38 -0.53 3.99 2.35 -1.98 -0.55 115.58 122.88 1jkz h ASN 17 Ca -0.42 0.03 0.13 0.00 -0.55 0.00 0.00 56.30 55.48 1jkz h ASN 17 Cb 1.19 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.49 1jkz h ASN 17 CO 0.47 0.18 0.37 0.00 -1.65 0.00 0.00 177.43 176.80 1jkz h ALA 18 N 1.63 2.29 -0.85 -0.83 0.00 -1.96 -2.60 119.26 116.93 1jkz h ALA 18 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1jkz h ALA 18 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1jkz h ALA 18 CO -0.13 -0.43 0.00 -1.13 0.00 0.00 0.00 179.25 177.56 1jkz n SER 19 N -4.43 0.00 -0.32 0.00 3.41 -0.21 -1.22 113.62 110.84 1jkz n SER 19 Ca 0.09 0.86 0.06 0.00 -0.26 0.00 0.00 58.87 59.62 1jkz n SER 19 Cb 0.49 -0.36 0.22 0.00 -0.26 0.00 0.00 64.21 64.30 1jkz n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jkz h ASP 21 N 0.80 -0.86 -0.22 0.00 3.58 -1.00 1.22 116.42 119.93 1jkz h ASP 21 Ca 0.46 0.07 0.05 0.00 0.42 0.00 0.00 57.03 58.03 1jkz h ASP 21 Cb 0.53 0.28 -0.07 0.00 1.72 0.00 0.00 39.33 41.79 1jkz h ASP 21 CO -0.30 -0.43 -0.45 -0.78 -2.88 0.00 0.00 179.24 174.40 1jkz h ASP 22 N -0.66 -1.44 -0.61 2.28 1.82 -1.01 0.13 116.42 116.94 1jkz h ASP 22 Ca -0.04 0.19 0.06 0.00 -0.39 0.00 0.00 57.03 56.85 1jkz h ASP 22 Cb 0.56 0.59 -0.09 0.00 0.68 0.00 0.00 39.33 41.08 1jkz h ASP 22 CO -0.02 -0.42 -0.48 -0.74 -1.61 0.00 0.00 179.24 175.97 1jkz h HIS 23 N -0.46 -1.50 -0.04 0.28 2.76 -0.92 0.56 115.15 115.83 1jkz h HIS 23 Ca 0.09 0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1jkz h HIS 23 Cb 0.62 0.74 -0.06 0.00 1.55 0.00 0.00 27.41 30.26 1jkz h HIS 23 CO -0.55 -0.35 -0.42 0.00 -1.30 0.00 0.00 177.93 175.30 1jkz h LYS 25 N -0.56 0.39 0.06 0.00 1.57 0.34 0.55 116.57 118.92 1jkz h LYS 25 Ca 0.05 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.55 1jkz h LYS 25 Cb 0.65 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1jkz h LYS 25 CO -0.34 0.26 -1.25 -0.91 -0.57 0.00 0.00 179.45 176.63 1jkz h ASN 26 N 0.40 0.21 0.01 0.86 2.35 0.60 -3.26 115.58 116.75 1jkz h ASN 26 Ca 0.32 -0.25 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 1jkz h ASN 26 Cb 0.42 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1jkz h ASN 26 CO -0.33 1.20 -0.80 0.11 -1.65 0.00 0.00 177.43 175.95 1jkz h LYS 27 N 0.04 0.02 -2.86 0.81 1.79 0.27 -3.43 116.57 113.21 1jkz h LYS 27 Ca -0.12 -0.03 -0.61 0.00 -2.18 0.00 0.00 60.65 57.71 1jkz h LYS 27 Cb 1.91 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 32.17 1jkz h LYS 27 CO 0.15 1.01 -0.74 0.00 -1.08 0.00 0.00 179.45 178.79 1jkz s ALA 28 N -2.32 2.55 0.00 3.86 0.00 0.19 -5.03 121.76 121.01 1jkz s ALA 28 Ca -0.25 -3.01 0.00 0.00 0.00 0.00 0.00 51.96 48.71 1jkz s ALA 28 Cb 0.02 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1jkz s ALA 28 CO 0.64 -2.05 0.37 1.58 0.00 0.00 0.00 175.76 176.30 1jkz n HIS 29 N 2.79 0.00 -4.02 0.00 -0.00 -1.22 -4.41 115.22 108.35 1jkz n HIS 29 Ca 0.18 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.35 1jkz n HIS 29 Cb 0.38 -0.24 -0.00 0.00 -0.12 0.00 0.00 29.99 30.01 1jkz n HIS 29 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1jkz n LEU 30 N 2.15 0.00 -0.08 0.27 7.99 -1.26 -5.04 117.00 121.03 1jkz n LEU 30 Ca 0.00 -0.09 -0.17 0.00 -0.01 0.00 0.00 56.01 55.74 1jkz n LEU 30 Cb 0.18 0.01 -0.12 0.00 -0.11 0.00 0.00 43.42 43.38 1jkz n LEU 30 CO 0.18 -0.01 0.05 0.16 -1.51 0.00 0.00 177.39 176.26 1jkz h ILE 31 N 1.00 1.47 -4.35 -0.08 3.07 -1.86 -3.42 117.51 113.34 1jkz h ILE 31 Ca -0.01 -2.29 -0.22 0.00 1.55 0.00 0.00 64.86 63.89 1jkz h ILE 31 Cb 0.03 2.96 -0.13 0.00 -0.27 0.00 0.00 36.82 39.41 1jkz h ILE 31 CO 0.02 0.50 -0.45 -0.44 -1.05 0.00 0.00 178.15 176.73 1jkz s SER 32 N -6.46 0.29 -0.18 2.16 0.01 -1.26 -4.91 113.70 103.35 1jkz s SER 32 Ca -0.23 -1.32 -0.08 0.00 1.31 0.00 0.00 55.95 55.64 1jkz s SER 32 Cb 0.00 0.47 0.07 0.00 0.21 0.00 0.00 66.02 66.78 1jkz s SER 32 CO 0.65 -0.97 0.40 -0.83 0.41 0.00 0.00 173.24 172.91 1jkz s GLY 33 N -3.15 -0.33 0.21 3.44 0.00 -1.26 -2.13 107.32 104.10 1jkz s GLY 33 Ca 0.34 1.48 0.09 0.00 0.00 0.00 0.00 44.72 46.63 1jkz s GLY 33 CO 0.13 2.01 -0.05 -1.59 0.00 0.00 0.00 173.10 173.60 1jkz s THR 34 N 1.97 3.38 -0.09 0.90 2.01 -0.38 -1.99 115.64 121.44 1jkz s THR 34 Ca -0.06 -1.69 -0.17 0.00 0.31 0.00 0.00 61.69 60.08 1jkz s THR 34 Cb -0.10 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1jkz s THR 34 CO -0.12 -0.19 0.44 0.00 -0.69 0.00 0.00 174.62 174.06 1jkz n HIS 36 N 3.15 0.00 -1.61 0.00 8.25 0.18 -4.97 115.22 120.22 1jkz n HIS 36 Ca -0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 1jkz n HIS 36 Cb 0.52 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 1jkz n HIS 36 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1jkz s ASN 37 N 0.73 3.41 -1.52 0.41 0.01 -1.26 -3.13 114.94 113.60 1jkz s ASN 37 Ca 0.00 -1.01 -0.06 0.00 -0.71 0.00 0.00 52.86 51.08 1jkz s ASN 37 Cb 0.00 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1jkz s ASN 37 CO 0.00 -4.80 0.62 0.79 -1.51 0.00 0.00 177.10 172.19 1jkz n TRP 38 N 19.75 -1.99 -3.89 2.20 5.03 -1.26 -4.98 117.44 132.30 1jkz n TRP 38 Ca 0.41 0.54 -0.09 0.00 3.03 0.00 0.00 57.50 61.39 1jkz n TRP 38 Cb 0.47 -4.30 -0.08 0.00 -1.03 0.00 0.00 31.31 26.37 1jkz n TRP 38 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1jkz s LYS 39 N -5.78 0.76 -0.24 -0.99 1.02 -1.18 -4.64 119.74 108.69 1jkz s LYS 39 Ca 0.33 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 1jkz s LYS 39 Cb -0.15 0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1jkz s LYS 39 CO 0.41 -0.22 -0.05 0.00 -0.92 0.00 0.00 175.35 174.57 1jkz s PHE 41 N 1.37 2.88 0.32 0.00 0.40 -0.91 -2.16 117.98 119.88 1jkz s PHE 41 Ca 0.02 -0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1jkz s PHE 41 Cb -0.16 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 1jkz s PHE 41 CO -0.04 0.18 0.27 0.00 0.70 0.00 0.00 175.22 176.33 1jkz s THR 43 N -2.27 4.26 -0.14 0.00 -4.23 -0.90 -2.43 115.64 109.92 1jkz s THR 43 Ca 0.39 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.61 1jkz s THR 43 Cb -0.06 -2.86 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1jkz s THR 43 CO 0.26 0.52 0.30 -1.58 -0.54 0.00 0.00 174.62 173.58 1jkz s GLN 44 N -0.05 0.19 0.31 3.99 0.74 -0.95 -4.17 119.66 119.72 1jkz s GLN 44 Ca 0.03 0.81 -0.29 0.00 0.05 0.00 0.00 55.36 55.96 1jkz s GLN 44 Cb -0.13 0.05 -0.11 0.00 1.10 0.00 0.00 33.01 33.92 1jkz s GLN 44 CO 0.02 -0.28 1.51 -0.80 -0.55 0.00 0.00 175.29 175.19 1jkz s ASN 45 N 2.46 6.45 0.00 6.67 0.01 -1.26 -2.37 114.94 126.90 1jkz s ASN 45 Ca 0.01 2.90 0.00 0.00 -0.71 0.00 0.00 52.86 55.05 1jkz s ASN 45 Cb -0.12 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.90 1jkz s ASN 45 CO -0.09 -0.83 0.00 0.00 -1.51 0.00 0.00 177.10 174.66