#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 0.84 -0.08 -0.18 -4.23 -1.26 -3.98 115.64 106.75 1jkz s THR 2 Ca 0.00 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.78 1jkz s THR 2 Cb 0.00 -0.76 -0.02 0.00 1.34 0.00 0.00 72.50 73.06 1jkz s THR 2 CO 0.00 0.01 -0.17 0.00 -0.54 0.00 0.00 174.62 173.92 1jkz s GLU 4 N -0.16 2.66 -0.00 0.00 2.02 -1.26 -2.41 118.70 119.54 1jkz s GLU 4 Ca -0.01 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.26 1jkz s GLU 4 Cb -0.14 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 1jkz s GLU 4 CO 0.03 0.57 -0.09 -1.01 0.02 0.00 0.00 175.26 174.79 1jkz s HIS 5 N -1.24 0.80 -0.17 1.61 3.76 -1.04 -4.92 115.29 114.09 1jkz s HIS 5 Ca 0.24 -0.18 -0.19 0.00 -0.15 0.00 0.00 55.06 54.78 1jkz s HIS 5 Cb -0.12 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.03 1jkz s HIS 5 CO 0.16 -0.01 0.52 -1.17 -0.85 0.00 0.00 174.74 173.39 1jkz s LEU 6 N -0.36 4.19 -0.04 0.89 0.20 -1.26 0.01 118.68 122.30 1jkz s LEU 6 Ca 0.02 0.74 -0.29 0.00 0.69 0.00 0.00 54.13 55.30 1jkz s LEU 6 Cb -0.04 -2.73 -0.03 0.00 -0.43 0.00 0.00 46.19 42.96 1jkz s LEU 6 CO -0.00 -0.14 0.94 0.00 -0.29 0.00 0.00 176.35 176.86 1jkz s ALA 7 N 1.36 3.26 -0.95 5.97 0.00 -0.92 -4.94 121.76 125.53 1jkz s ALA 7 Ca 0.25 0.42 0.24 0.00 0.00 0.00 0.00 51.96 52.87 1jkz s ALA 7 Cb -0.15 -3.31 0.99 0.00 0.00 0.00 0.00 23.12 20.65 1jkz s ALA 7 CO 0.10 -0.33 1.76 -0.25 0.00 0.00 0.00 175.76 177.04 1jkz n ASP 8 N 4.23 0.10 -3.52 0.00 8.00 -1.26 -3.95 116.55 120.16 1jkz n ASP 8 Ca 0.06 0.51 -0.36 0.00 0.71 0.00 0.00 54.79 55.71 1jkz n ASP 8 Cb 0.50 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 1jkz n ASP 8 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1jkz n THR 9 N -1.60 4.75 -3.27 -3.53 -1.04 -1.26 -5.00 114.28 103.34 1jkz n THR 9 Ca 0.06 -5.79 0.00 0.00 -2.04 0.00 0.00 64.05 56.28 1jkz n THR 9 Cb 0.29 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1jkz n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jkz n TYR 10 N 0.29 -1.74 -1.25 -1.42 9.36 -1.25 -5.02 117.16 116.12 1jkz n TYR 10 Ca 0.37 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.51 1jkz n TYR 10 Cb 0.33 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 39.26 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 -0.58 2.46 0.00 2.98 1.74 -1.26 -5.02 116.66 116.98 1jkz n ARG 11 Ca 0.00 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 54.00 1jkz n ARG 11 Cb 0.00 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 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 -0.86 2.27 3.93 -0.13 0.00 -1.26 -4.86 105.19 104.27 1jkz n GLY 12 Ca 0.40 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 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 4.90 0.03 1.61 1.01 -1.26 -4.68 120.40 122.00 1jkz s VAL 13 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1jkz s VAL 13 Cb 0.00 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1jkz s VAL 13 CO 0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 175.10 174.27 1jkz n PHE 15 N 1.87 0.00 -4.07 0.00 3.01 -1.26 -5.00 117.46 112.01 1jkz n PHE 15 Ca -0.17 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.17 1jkz n PHE 15 Cb 0.52 -0.07 -0.11 0.00 -0.01 0.00 0.00 39.48 39.80 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 -2.04 0.53 0.59 4.37 -4.23 -1.26 -5.03 115.64 108.57 1jkz s THR 16 Ca -0.03 -1.17 0.30 0.00 -1.18 0.00 0.00 61.69 59.61 1jkz s THR 16 Cb 0.01 -0.71 0.41 0.00 1.34 0.00 0.00 72.50 73.54 1jkz s THR 16 CO 0.04 -0.45 1.78 0.78 -0.54 0.00 0.00 174.62 176.23 1jkz h ASN 17 N 4.33 0.00 0.55 3.99 2.35 -1.98 0.11 115.58 124.92 1jkz h ASN 17 Ca -0.36 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 1jkz h ASN 17 Cb 1.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 1jkz h ASN 17 CO 0.43 0.00 -0.27 0.00 -1.65 0.00 0.00 177.43 175.95 1jkz h ALA 18 N 1.29 1.21 -0.58 -0.83 0.00 -1.96 -3.06 119.26 115.33 1jkz h ALA 18 Ca 0.31 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jkz h ALA 18 Cb 1.64 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1jkz h ALA 18 CO -0.00 0.33 0.36 1.03 0.00 0.00 0.00 179.25 180.97 1jkz h SER 19 N 0.00 0.59 -0.06 0.00 0.87 -1.14 -2.00 113.55 111.80 1jkz h SER 19 Ca -0.00 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1jkz h SER 19 Cb 0.61 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1jkz h SER 19 CO 0.03 0.42 -0.67 0.00 -0.53 0.00 0.00 176.83 176.08 1jkz h ASP 21 N 0.17 -0.91 -0.19 0.00 3.58 -1.18 1.57 116.42 119.46 1jkz h ASP 21 Ca -0.07 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.53 1jkz h ASP 21 Cb 1.33 0.33 -0.07 0.00 1.72 0.00 0.00 39.33 42.65 1jkz h ASP 21 CO 0.14 -0.34 -0.28 -0.78 -2.88 0.00 0.00 179.24 175.10 1jkz h ASP 22 N -0.46 -0.89 -0.19 2.28 3.58 -1.50 0.16 116.42 119.39 1jkz h ASP 22 Ca -0.01 0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.62 1jkz h ASP 22 Cb 0.45 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 41.84 1jkz h ASP 22 CO -0.15 -0.32 -0.50 -0.74 -2.88 0.00 0.00 179.24 174.66 1jkz h HIS 23 N -0.32 -1.50 0.20 0.28 2.76 -1.12 0.36 115.15 115.81 1jkz h HIS 23 Ca 0.12 0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1jkz h HIS 23 Cb 0.50 0.68 -0.04 0.00 1.55 0.00 0.00 27.41 30.10 1jkz h HIS 23 CO -0.40 -0.48 -0.48 0.00 -1.30 0.00 0.00 177.93 175.27 1jkz h LYS 25 N -0.76 0.34 0.22 0.00 1.57 -0.30 1.17 116.57 118.80 1jkz h LYS 25 Ca -0.01 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.43 1jkz h LYS 25 Cb 0.75 -0.08 0.04 0.00 0.08 0.00 0.00 32.23 33.02 1jkz h LYS 25 CO -0.22 0.22 -1.42 -0.91 -0.57 0.00 0.00 179.45 176.55 1jkz h ASN 26 N 0.35 0.84 0.03 0.86 2.35 0.23 -3.13 115.58 117.11 1jkz h ASN 26 Ca 0.48 -0.87 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1jkz h ASN 26 Cb 0.85 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1jkz h ASN 26 CO -0.51 1.68 -0.02 0.11 -1.65 0.00 0.00 177.43 177.04 1jkz h LYS 27 N 0.18 -0.04 -2.94 0.81 1.79 0.24 -3.42 116.57 113.20 1jkz h LYS 27 Ca -0.24 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.62 1jkz h LYS 27 Cb 2.10 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 32.36 1jkz h LYS 27 CO 0.27 0.44 -0.72 0.00 -1.08 0.00 0.00 179.45 178.36 1jkz s ALA 28 N -2.61 2.62 0.00 3.86 0.00 0.40 -5.03 121.76 120.99 1jkz s ALA 28 Ca -0.10 -3.00 0.00 0.00 0.00 0.00 0.00 51.96 48.86 1jkz s ALA 28 Cb -0.01 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1jkz s ALA 28 CO 0.36 -2.05 0.56 1.58 0.00 0.00 0.00 175.76 176.21 1jkz n HIS 29 N 2.91 0.00 -4.00 0.00 -0.00 -1.18 -4.25 115.22 108.69 1jkz n HIS 29 Ca 0.15 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.23 1jkz n HIS 29 Cb 0.37 -0.39 -0.01 0.00 -0.12 0.00 0.00 29.99 29.83 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 3.45 0.00 -0.01 0.27 7.99 -1.26 -5.02 117.00 122.42 1jkz n LEU 30 Ca 0.00 -1.06 -0.13 0.00 -0.01 0.00 0.00 56.01 54.82 1jkz n LEU 30 Cb 0.28 0.07 -0.10 0.00 -0.11 0.00 0.00 43.42 43.56 1jkz n LEU 30 CO 0.28 -0.24 0.51 0.16 -1.51 0.00 0.00 177.39 176.59 1jkz h ILE 31 N 0.87 1.34 -3.16 -0.08 3.07 -1.87 -3.42 117.51 114.27 1jkz h ILE 31 Ca -0.14 -1.43 0.01 0.00 1.55 0.00 0.00 64.86 64.86 1jkz h ILE 31 Cb 0.44 2.26 -0.08 0.00 -0.27 0.00 0.00 36.82 39.17 1jkz h ILE 31 CO 0.22 0.35 0.13 -0.44 -1.05 0.00 0.00 178.15 177.36 1jkz s SER 32 N -5.76 -0.31 -0.24 2.16 0.01 -1.26 -4.96 113.70 103.34 1jkz s SER 32 Ca -0.16 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 56.47 1jkz s SER 32 Cb 0.00 0.64 0.07 0.00 0.21 0.00 0.00 66.02 66.94 1jkz s SER 32 CO 0.62 -1.15 0.60 -0.83 0.41 0.00 0.00 173.24 172.90 1jkz s GLY 33 N -2.88 -0.51 0.46 3.44 0.00 -1.26 -0.08 107.32 106.49 1jkz s GLY 33 Ca 0.09 1.97 0.05 0.00 0.00 0.00 0.00 44.72 46.83 1jkz s GLY 33 CO -0.00 1.90 0.03 -1.08 0.00 0.00 0.00 173.10 173.95 1jkz s THR 34 N 1.07 1.66 -0.15 0.90 -1.32 -0.72 -1.72 115.64 115.37 1jkz s THR 34 Ca -0.06 -1.97 -0.18 0.00 -1.21 0.00 0.00 61.69 58.28 1jkz s THR 34 Cb -0.05 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 1jkz s THR 34 CO -0.10 0.00 0.47 0.00 -2.21 0.00 0.00 174.62 172.78 1jkz s HIS 36 N 0.94 1.62 -1.47 0.00 3.76 0.37 -4.77 115.29 115.74 1jkz s HIS 36 Ca 0.24 -0.81 -0.12 0.00 -0.15 0.00 0.00 55.06 54.22 1jkz s HIS 36 Cb -0.15 -1.29 0.08 0.00 1.11 0.00 0.00 32.58 32.33 1jkz s HIS 36 CO 0.09 -0.52 0.76 0.09 -0.85 0.00 0.00 174.74 174.32 1jkz n ASN 37 N 4.78 -4.51 0.00 1.40 5.03 -1.26 0.78 115.26 121.47 1jkz n ASN 37 Ca -0.14 -0.61 0.00 0.00 0.87 0.00 0.00 54.58 54.70 1jkz n ASN 37 Cb 0.50 -3.65 0.00 0.00 -1.02 0.00 0.00 39.78 35.61 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1jkz n TRP 38 N -4.40 0.00 -3.92 3.10 7.02 -1.26 -5.01 117.44 112.97 1jkz n TRP 38 Ca 0.01 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.27 1jkz n TRP 38 Cb 0.54 -0.50 -0.05 0.00 -2.42 0.00 0.00 31.31 28.88 1jkz n TRP 38 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1jkz s LYS 39 N -0.44 2.46 -0.15 -0.99 1.02 0.23 -3.76 119.74 118.11 1jkz s LYS 39 Ca 0.00 -1.53 -0.02 0.00 0.02 0.00 0.00 55.97 54.44 1jkz s LYS 39 Cb 0.00 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1jkz s LYS 39 CO 0.00 0.01 -0.09 0.00 -0.92 0.00 0.00 175.35 174.35 1jkz s PHE 41 N 0.43 2.31 0.31 0.00 0.40 -0.63 -2.18 117.98 118.63 1jkz s PHE 41 Ca -0.07 -0.50 0.07 0.00 -0.60 0.00 0.00 56.93 55.83 1jkz s PHE 41 Cb -0.15 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 1jkz s PHE 41 CO 0.04 -0.08 0.26 0.00 0.70 0.00 0.00 175.22 176.14 1jkz s THR 43 N -2.26 4.25 -0.05 0.00 2.01 0.88 -2.49 115.64 117.99 1jkz s THR 43 Ca 0.38 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1jkz s THR 43 Cb -0.06 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.47 1jkz s THR 43 CO 0.26 0.33 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.90 1jkz s GLN 44 N 1.61 0.88 0.12 4.92 0.74 -1.01 -3.95 119.66 122.96 1jkz s GLN 44 Ca 0.06 -0.12 -0.30 0.00 0.05 0.00 0.00 55.36 55.06 1jkz s GLN 44 Cb -0.15 -0.88 -0.06 0.00 1.10 0.00 0.00 33.01 33.01 1jkz s GLN 44 CO 0.03 -0.09 1.11 -0.80 -0.55 0.00 0.00 175.29 175.00 1jkz s ASN 45 N 0.95 7.23 0.00 6.67 -0.87 -1.26 -2.02 114.94 125.65 1jkz s ASN 45 Ca -0.10 2.01 0.00 0.00 -1.57 0.00 0.00 52.86 53.20 1jkz s ASN 45 Cb -0.14 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.49 1jkz s ASN 45 CO -0.00 -0.29 0.00 0.00 -2.57 0.00 0.00 177.10 174.24