#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 0.17 -0.11 0.58 -4.23 -1.26 -3.11 115.64 107.68 1jkz s THR 2 Ca 0.00 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1jkz s THR 2 Cb 0.00 -1.37 -0.03 0.00 1.34 0.00 0.00 72.50 72.44 1jkz s THR 2 CO 0.00 -0.77 -0.07 0.00 -0.54 0.00 0.00 174.62 173.24 1jkz s GLU 4 N -0.15 3.59 -0.03 0.00 2.02 -1.26 0.94 118.70 123.81 1jkz s GLU 4 Ca 0.02 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.46 1jkz s GLU 4 Cb -0.13 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.28 1jkz s GLU 4 CO 0.03 0.24 -0.04 -1.01 0.02 0.00 0.00 175.26 174.50 1jkz s HIS 5 N 0.33 0.59 -0.00 1.61 3.76 0.18 -4.91 115.29 116.85 1jkz s HIS 5 Ca -0.06 -0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.50 1jkz s HIS 5 Cb -0.15 -0.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.99 1jkz s HIS 5 CO 0.04 -0.11 0.68 -1.17 -0.85 0.00 0.00 174.74 173.32 1jkz s LEU 6 N 0.54 4.40 -0.39 0.89 0.20 -1.26 0.14 118.68 123.20 1jkz s LEU 6 Ca -0.07 1.26 -0.24 0.00 0.69 0.00 0.00 54.13 55.78 1jkz s LEU 6 Cb -0.10 -3.07 0.02 0.00 -0.43 0.00 0.00 46.19 42.61 1jkz s LEU 6 CO -0.00 0.02 0.83 0.00 -0.29 0.00 0.00 176.35 176.90 1jkz s ALA 7 N 0.10 3.37 0.40 5.97 0.00 0.08 -4.93 121.76 126.75 1jkz s ALA 7 Ca 0.35 -0.71 0.32 0.00 0.00 0.00 0.00 51.96 51.92 1jkz s ALA 7 Cb -0.19 -3.45 1.61 0.00 0.00 0.00 0.00 23.12 21.10 1jkz s ALA 7 CO 0.19 -1.67 2.11 -0.44 0.00 0.00 0.00 175.76 175.96 1jkz h ASP 8 N 8.66 0.00 -2.77 0.00 5.19 -1.96 -3.29 116.42 122.25 1jkz h ASP 8 Ca -0.24 0.00 -0.75 0.00 -0.62 0.00 0.00 57.03 55.42 1jkz h ASP 8 Cb 1.09 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 40.28 1jkz h ASP 8 CO 0.95 0.08 0.37 0.35 -3.12 0.00 0.00 179.24 177.87 1jkz n THR 9 N -3.43 4.44 -3.33 0.35 -2.24 -1.26 -5.00 114.28 103.81 1jkz n THR 9 Ca -0.02 -5.70 0.00 0.00 -2.27 0.00 0.00 64.05 56.07 1jkz n THR 9 Cb 0.22 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.33 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 1.29 -1.72 -1.46 4.78 9.36 -1.24 -5.04 117.16 123.13 1jkz n TYR 10 Ca 0.27 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.27 1jkz n TYR 10 Cb 0.36 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 39.19 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 -0.57 2.50 0.00 2.98 1.74 -1.26 -5.04 116.66 117.02 1jkz n ARG 11 Ca 0.00 -3.35 0.00 0.00 -0.77 0.00 0.00 57.85 53.73 1jkz n ARG 11 Cb 0.00 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 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 -1.00 1.54 3.79 -0.13 0.00 -1.26 -4.89 105.19 103.25 1jkz n GLY 12 Ca 0.51 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 3.82 -0.03 1.61 1.01 -1.25 -4.46 120.40 121.09 1jkz s VAL 13 Ca 0.00 1.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.97 1jkz s VAL 13 Cb 0.00 -3.53 -0.25 0.00 0.00 0.00 0.00 36.38 32.59 1jkz s VAL 13 CO 0.00 -0.17 1.02 0.00 0.00 0.00 0.00 175.10 175.95 1jkz n PHE 15 N -4.31 0.00 -3.80 0.00 3.01 -1.26 -4.56 117.46 106.54 1jkz n PHE 15 Ca -0.11 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.23 1jkz n PHE 15 Cb 0.64 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.01 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 0.00 0.04 0.32 4.37 -4.23 -1.26 -5.04 115.64 109.84 1jkz s THR 16 Ca 0.00 -0.36 0.09 0.00 -1.18 0.00 0.00 61.69 60.24 1jkz s THR 16 Cb 0.00 -0.48 0.32 0.00 1.34 0.00 0.00 72.50 73.69 1jkz s THR 16 CO 0.00 -0.20 1.65 0.78 -0.54 0.00 0.00 174.62 176.32 1jkz h ASN 17 N 4.67 0.26 -0.92 3.99 4.21 -1.90 0.59 115.58 126.48 1jkz h ASN 17 Ca -0.29 0.20 0.18 0.00 1.21 0.00 0.00 56.30 57.60 1jkz h ASN 17 Cb 1.19 0.20 -0.08 0.00 -1.12 0.00 0.00 38.32 38.52 1jkz h ASN 17 CO 0.38 -0.15 0.59 0.00 -1.29 0.00 0.00 177.43 176.96 1jkz h ALA 18 N 1.83 1.97 -0.51 -0.83 0.00 -1.93 -0.42 119.26 119.37 1jkz h ALA 18 Ca 0.65 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.64 1jkz h ALA 18 Cb 1.43 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1jkz h ALA 18 CO -0.64 -0.26 0.34 0.77 0.00 0.00 0.00 179.25 179.46 1jkz h SER 19 N 0.58 0.44 0.15 0.00 0.02 -0.04 -3.00 113.55 111.70 1jkz h SER 19 Ca 0.48 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.17 1jkz h SER 19 Cb 0.96 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.41 1jkz h SER 19 CO -0.22 0.29 -1.24 0.00 -1.14 0.00 0.00 176.83 174.51 1jkz h ASP 21 N -0.22 -0.36 -0.67 0.00 1.82 -1.34 1.65 116.42 117.30 1jkz h ASP 21 Ca -0.24 0.04 0.08 0.00 -0.39 0.00 0.00 57.03 56.52 1jkz h ASP 21 Cb 1.81 0.14 -0.11 0.00 0.68 0.00 0.00 39.33 41.86 1jkz h ASP 21 CO 0.14 -0.11 -0.52 -0.78 -1.61 0.00 0.00 179.24 176.36 1jkz h ASP 22 N -0.13 -1.82 -0.48 2.28 1.82 -1.74 0.66 116.42 117.01 1jkz h ASP 22 Ca 0.01 0.27 0.08 0.00 -0.39 0.00 0.00 57.03 57.00 1jkz h ASP 22 Cb 0.15 0.80 -0.10 0.00 0.68 0.00 0.00 39.33 40.86 1jkz h ASP 22 CO -0.09 -0.33 -0.43 -0.74 -1.61 0.00 0.00 179.24 176.05 1jkz h HIS 23 N -0.21 -1.26 0.06 0.28 2.76 -1.46 0.59 115.15 115.92 1jkz h HIS 23 Ca 0.15 0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1jkz h HIS 23 Cb 0.53 0.62 -0.03 0.00 1.55 0.00 0.00 27.41 30.08 1jkz h HIS 23 CO -0.82 -0.43 -0.22 0.00 -1.30 0.00 0.00 177.93 175.16 1jkz h LYS 25 N -0.38 1.14 0.01 0.00 1.57 0.13 0.14 116.57 119.18 1jkz h LYS 25 Ca 0.04 -0.07 -0.28 0.00 -1.87 0.00 0.00 60.65 58.47 1jkz h LYS 25 Cb 0.43 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1jkz h LYS 25 CO -0.16 0.76 -1.60 -0.91 -0.57 0.00 0.00 179.45 176.97 1jkz h ASN 26 N 1.18 0.02 0.00 0.86 2.35 0.49 -3.34 115.58 117.13 1jkz h ASN 26 Ca 0.37 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.99 1jkz h ASN 26 Cb 0.02 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1jkz h ASN 26 CO -0.12 1.03 -0.73 0.11 -1.65 0.00 0.00 177.43 176.08 1jkz h LYS 27 N 0.00 0.00 -3.03 0.81 1.79 0.20 -3.44 116.57 112.91 1jkz h LYS 27 Ca -0.24 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.61 1jkz h LYS 27 Cb 1.98 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 32.22 1jkz h LYS 27 CO 0.09 0.47 -0.68 0.00 -1.08 0.00 0.00 179.45 178.25 1jkz s ALA 28 N -2.53 2.92 0.00 3.86 0.00 0.49 -5.02 121.76 121.48 1jkz s ALA 28 Ca -0.19 -3.18 0.00 0.00 0.00 0.00 0.00 51.96 48.59 1jkz s ALA 28 Cb 0.03 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1jkz s ALA 28 CO 0.38 -2.05 0.19 1.58 0.00 0.00 0.00 175.76 175.86 1jkz n HIS 29 N 2.79 0.00 -4.50 0.00 -0.00 -1.19 -4.44 115.22 107.88 1jkz n HIS 29 Ca 0.14 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.09 1jkz n HIS 29 Cb 0.36 -0.13 -0.06 0.00 -0.12 0.00 0.00 29.99 30.04 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 1.12 0.00 -0.05 0.27 4.32 -1.24 -5.02 117.00 116.40 1jkz n LEU 30 Ca 0.00 -2.58 -0.15 0.00 -0.02 0.00 0.00 56.01 53.26 1jkz n LEU 30 Cb 0.10 0.59 -0.13 0.00 -1.62 0.00 0.00 43.42 42.36 1jkz n LEU 30 CO 0.10 -0.38 0.37 0.16 -1.22 0.00 0.00 177.39 176.41 1jkz h ILE 31 N 1.40 1.73 -2.61 -0.08 3.07 -1.86 -3.37 117.51 115.79 1jkz h ILE 31 Ca -0.30 -2.28 -0.00 0.00 1.55 0.00 0.00 64.86 63.83 1jkz h ILE 31 Cb 1.02 3.27 0.00 0.00 -0.27 0.00 0.00 36.82 40.84 1jkz h ILE 31 CO 0.49 0.60 0.22 -1.20 -1.05 0.00 0.00 178.15 177.20 1jkz n SER 32 N -4.57 -1.50 -3.58 2.16 7.64 -1.26 -4.81 113.62 107.71 1jkz n SER 32 Ca -0.10 -2.01 -0.15 0.00 1.01 0.00 0.00 58.87 57.62 1jkz n SER 32 Cb 0.50 2.49 -0.06 0.00 -1.01 0.00 0.00 64.21 66.14 1jkz n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jkz s GLY 33 N -2.47 -0.44 0.10 0.23 0.00 -1.26 -2.37 107.32 101.11 1jkz s GLY 33 Ca 0.11 0.74 0.08 0.00 0.00 0.00 0.00 44.72 45.65 1jkz s GLY 33 CO 0.07 0.43 -0.20 -1.59 0.00 0.00 0.00 173.10 171.82 1jkz s THR 34 N -2.06 1.64 0.09 0.90 2.01 -0.68 -3.78 115.64 113.74 1jkz s THR 34 Ca -0.07 -1.53 -0.31 0.00 0.31 0.00 0.00 61.69 60.08 1jkz s THR 34 Cb -0.01 -1.51 -0.08 0.00 0.01 0.00 0.00 72.50 70.91 1jkz s THR 34 CO 0.01 -0.10 1.57 0.00 -0.69 0.00 0.00 174.62 175.42 1jkz s HIS 36 N 2.11 -0.34 -1.64 0.00 3.76 -0.43 -4.89 115.29 113.86 1jkz s HIS 36 Ca 0.71 0.82 -0.17 0.00 -0.15 0.00 0.00 55.06 56.26 1jkz s HIS 36 Cb -0.39 0.01 0.14 0.00 1.11 0.00 0.00 32.58 33.45 1jkz s HIS 36 CO 0.31 -0.27 0.79 0.09 -0.85 0.00 0.00 174.74 174.81 1jkz n ASN 37 N 4.58 -3.56 -0.48 1.40 3.02 -1.26 0.17 115.26 119.13 1jkz n ASN 37 Ca -0.19 -0.91 -0.06 0.00 -0.03 0.00 0.00 54.58 53.38 1jkz n ASN 37 Cb 0.52 -2.90 -0.03 0.00 -0.61 0.00 0.00 39.78 36.76 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1jkz n TRP 38 N -4.36 0.00 -4.19 3.10 7.02 -1.26 -4.97 117.44 112.78 1jkz n TRP 38 Ca 0.07 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.46 1jkz n TRP 38 Cb 0.50 -1.87 -0.02 0.00 -2.42 0.00 0.00 31.31 27.49 1jkz n TRP 38 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1jkz n LYS 39 N -1.28 1.63 -4.17 -0.99 5.02 0.44 -2.99 118.16 115.82 1jkz n LYS 39 Ca -0.06 -1.05 -0.30 0.00 -2.02 0.00 0.00 58.31 54.88 1jkz n LYS 39 Cb 0.40 0.27 -0.16 0.00 -0.02 0.00 0.00 35.03 35.51 1jkz n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jkz s PHE 41 N 1.31 3.03 -0.03 0.00 0.40 -1.08 -0.74 117.98 120.87 1jkz s PHE 41 Ca 0.01 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 1jkz s PHE 41 Cb -0.13 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 1jkz s PHE 41 CO -0.08 0.00 -0.00 0.00 0.70 0.00 0.00 175.22 175.84 1jkz s THR 43 N -1.02 4.11 0.01 0.00 -4.23 -1.00 0.48 115.64 114.00 1jkz s THR 43 Ca 0.18 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 1jkz s THR 43 Cb -0.11 -2.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 1jkz s THR 43 CO 0.08 0.57 -0.06 -1.58 -0.54 0.00 0.00 174.62 173.08 1jkz s GLN 44 N -0.50 0.48 0.39 3.99 0.74 0.27 -3.88 119.66 121.14 1jkz s GLN 44 Ca 0.08 -0.35 -0.28 0.00 0.05 0.00 0.00 55.36 54.87 1jkz s GLN 44 Cb -0.12 -0.41 -0.11 0.00 1.10 0.00 0.00 33.01 33.48 1jkz s GLN 44 CO 0.02 0.10 1.49 0.09 -0.55 0.00 0.00 175.29 176.44 1jkz n ASN 45 N 2.56 3.77 0.00 6.67 4.13 -1.26 0.15 115.26 131.27 1jkz n ASN 45 Ca -0.15 1.21 0.00 0.00 1.68 0.00 0.00 54.58 57.32 1jkz n ASN 45 Cb 0.57 -1.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.19 1jkz n ASN 45 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54