#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 0.08 -0.00 -0.18 -4.23 -1.26 -3.85 115.64 106.19 1jkz s THR 2 Ca 0.00 -0.69 0.05 0.00 -1.18 0.00 0.00 61.69 59.87 1jkz s THR 2 Cb 0.00 -0.60 -0.03 0.00 1.34 0.00 0.00 72.50 73.21 1jkz s THR 2 CO 0.00 -0.38 -0.13 0.00 -0.54 0.00 0.00 174.62 173.57 1jkz s GLU 4 N -1.18 3.40 -0.04 0.00 2.02 -1.26 -0.12 118.70 121.52 1jkz s GLU 4 Ca 0.14 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.68 1jkz s GLU 4 Cb -0.11 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.26 1jkz s GLU 4 CO 0.04 0.43 -0.09 -1.01 0.02 0.00 0.00 175.26 174.65 1jkz s HIS 5 N -0.13 1.06 -0.19 1.61 3.76 0.22 -4.89 115.29 116.73 1jkz s HIS 5 Ca 0.03 -0.33 -0.19 0.00 -0.15 0.00 0.00 55.06 54.43 1jkz s HIS 5 Cb -0.13 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 1jkz s HIS 5 CO 0.02 -0.19 0.54 -1.17 -0.85 0.00 0.00 174.74 173.10 1jkz s LEU 6 N 0.58 4.15 -0.48 0.89 1.98 -1.26 0.11 118.68 124.65 1jkz s LEU 6 Ca -0.10 0.72 -0.24 0.00 -2.89 0.00 0.00 54.13 51.62 1jkz s LEU 6 Cb -0.13 -2.75 0.03 0.00 0.66 0.00 0.00 46.19 44.01 1jkz s LEU 6 CO 0.02 -0.19 0.84 0.00 -1.89 0.00 0.00 176.35 175.13 1jkz s ALA 7 N 1.63 3.25 -1.24 5.97 0.00 -0.96 -4.92 121.76 125.50 1jkz s ALA 7 Ca 0.25 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1jkz s ALA 7 Cb -0.15 -3.57 0.10 0.00 0.00 0.00 0.00 23.12 19.49 1jkz s ALA 7 CO 0.10 -2.08 0.96 -0.25 0.00 0.00 0.00 175.76 174.48 1jkz n ASP 8 N 6.97 0.00 -3.25 0.00 9.92 -1.26 -3.14 116.55 125.79 1jkz n ASP 8 Ca 0.02 0.36 -0.36 0.00 -0.53 0.00 0.00 54.79 54.29 1jkz n ASP 8 Cb 0.48 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1jkz n ASP 8 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1jkz n THR 9 N -1.38 4.63 -3.73 -3.53 -2.24 -1.26 -5.00 114.28 101.77 1jkz n THR 9 Ca 0.01 -5.56 -0.22 0.00 -2.27 0.00 0.00 64.05 56.01 1jkz n THR 9 Cb 0.02 -1.44 -0.04 0.00 -2.10 0.00 0.00 70.33 66.77 1jkz n THR 9 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jkz s TYR 10 N -4.00 2.74 -0.43 4.78 5.04 -1.19 -5.04 117.35 119.25 1jkz s TYR 10 Ca 0.44 -0.45 -0.08 0.00 -2.44 0.00 0.00 57.07 54.54 1jkz s TYR 10 Cb 0.27 -2.02 0.09 0.00 0.35 0.00 0.00 41.96 40.65 1jkz s TYR 10 CO -0.18 0.02 0.26 -0.98 -1.34 0.00 0.00 175.55 173.34 1jkz s ARG 11 N -4.05 2.46 4.18 4.97 1.70 -1.26 -5.05 118.95 121.90 1jkz s ARG 11 Ca 0.45 -1.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.12 1jkz s ARG 11 Cb -0.03 -3.76 0.00 0.00 -0.57 0.00 0.00 34.95 30.59 1jkz s ARG 11 CO 0.26 -1.02 0.00 0.41 -1.08 0.00 0.00 175.30 173.87 1jkz n GLY 12 N 4.85 2.11 3.84 3.88 0.00 -1.26 -4.69 105.19 113.92 1jkz n GLY 12 Ca -0.08 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 4.70 -0.30 1.61 1.01 -1.26 -4.74 120.40 121.42 1jkz s VAL 13 Ca 0.00 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 62.78 1jkz s VAL 13 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1jkz s VAL 13 CO 0.00 -0.01 0.42 0.00 0.00 0.00 0.00 175.10 175.50 1jkz n PHE 15 N 5.45 0.00 -4.11 0.00 3.01 -1.26 -4.78 117.46 115.78 1jkz n PHE 15 Ca -0.07 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.04 1jkz n PHE 15 Cb 0.50 -0.64 -0.07 0.00 -0.01 0.00 0.00 39.48 39.26 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 -2.33 4.84 0.46 4.37 -4.23 -1.26 -4.94 115.64 112.55 1jkz s THR 16 Ca -0.25 -0.22 0.19 0.00 -1.18 0.00 0.00 61.69 60.23 1jkz s THR 16 Cb 0.09 -3.15 0.37 0.00 1.34 0.00 0.00 72.50 71.15 1jkz s THR 16 CO 0.31 0.47 1.95 0.78 -0.54 0.00 0.00 174.62 177.60 1jkz h ASN 17 N 4.54 0.26 -0.65 3.99 4.21 -1.95 -1.24 115.58 124.73 1jkz h ASN 17 Ca -0.51 0.01 0.03 0.00 1.21 0.00 0.00 56.30 57.05 1jkz h ASN 17 Cb 1.20 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 38.32 1jkz h ASN 17 CO 0.60 0.14 0.43 0.00 -1.29 0.00 0.00 177.43 177.31 1jkz h ALA 18 N 1.68 1.64 -0.11 -0.83 0.00 -1.94 -1.31 119.26 118.38 1jkz h ALA 18 Ca 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jkz h ALA 18 Cb 0.89 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jkz h ALA 18 CO -0.08 0.29 -0.06 0.66 0.00 0.00 0.00 179.25 180.07 1jkz h SER 19 N 0.78 0.14 0.09 0.00 4.64 -1.59 -2.55 113.55 115.06 1jkz h SER 19 Ca 0.26 -0.02 -0.28 0.00 -0.47 0.00 0.00 61.79 61.28 1jkz h SER 19 Cb 0.07 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1jkz h SER 19 CO -0.07 0.24 -1.50 0.00 -0.87 0.00 0.00 176.83 174.62 1jkz h ASP 21 N -0.40 -0.78 -0.38 0.00 3.58 -0.92 2.04 116.42 119.55 1jkz h ASP 21 Ca -0.34 0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.27 1jkz h ASP 21 Cb 1.70 0.30 -0.09 0.00 1.72 0.00 0.00 39.33 42.96 1jkz h ASP 21 CO -0.00 -0.25 -0.35 -0.78 -2.88 0.00 0.00 179.24 174.97 1jkz h ASP 22 N -0.33 -1.17 -0.44 2.28 3.58 -1.67 0.25 116.42 118.93 1jkz h ASP 22 Ca 0.00 0.20 0.08 0.00 0.42 0.00 0.00 57.03 57.73 1jkz h ASP 22 Cb 0.35 0.53 -0.09 0.00 1.72 0.00 0.00 39.33 41.83 1jkz h ASP 22 CO -0.16 -0.34 -0.39 -0.74 -2.88 0.00 0.00 179.24 174.73 1jkz h HIS 23 N -0.28 -1.11 -0.24 0.28 2.76 -1.38 0.43 115.15 115.61 1jkz h HIS 23 Ca 0.16 0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.44 1jkz h HIS 23 Cb 0.55 0.55 -0.04 0.00 1.55 0.00 0.00 27.41 30.02 1jkz h HIS 23 CO -0.55 -0.42 -0.04 0.00 -1.30 0.00 0.00 177.93 175.63 1jkz h LYS 25 N 0.03 0.86 0.06 0.00 1.57 0.53 -0.62 116.57 119.01 1jkz h LYS 25 Ca 0.12 -0.15 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 1jkz h LYS 25 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1jkz h LYS 25 CO -0.23 0.73 -1.20 -0.91 -0.57 0.00 0.00 179.45 177.27 1jkz h ASN 26 N 0.80 0.21 0.00 0.86 2.35 0.12 -3.36 115.58 116.56 1jkz h ASN 26 Ca 0.19 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1jkz h ASN 26 Cb 0.19 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1jkz h ASN 26 CO -0.02 1.19 -0.83 0.29 -1.65 0.00 0.00 177.43 176.41 1jkz n LYS 27 N -3.41 0.49 -3.86 0.81 4.76 0.39 -4.79 118.16 112.54 1jkz n LYS 27 Ca -0.06 0.43 -0.30 0.00 -2.87 0.00 0.00 58.31 55.50 1jkz n LYS 27 Cb 0.99 -1.61 -0.12 0.00 -1.84 0.00 0.00 35.03 32.45 1jkz n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jkz s ALA 28 N -2.74 3.75 0.00 7.82 0.00 -0.25 -5.00 121.76 125.34 1jkz s ALA 28 Ca -0.21 -3.68 0.00 0.00 0.00 0.00 0.00 51.96 48.07 1jkz s ALA 28 Cb 0.04 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1jkz s ALA 28 CO 0.33 -2.09 0.24 1.58 0.00 0.00 0.00 175.76 175.82 1jkz n HIS 29 N 2.38 0.00 -4.72 0.00 -0.00 -1.17 -4.47 115.22 107.25 1jkz n HIS 29 Ca 0.16 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.02 1jkz n HIS 29 Cb 0.35 -0.18 -0.07 0.00 -0.12 0.00 0.00 29.99 29.96 1jkz n HIS 29 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1jkz s LEU 30 N 0.00 2.17 -0.01 0.27 1.02 -1.23 -5.03 118.68 115.87 1jkz s LEU 30 Ca 0.00 -1.70 -0.24 0.00 0.02 0.00 0.00 54.13 52.21 1jkz s LEU 30 Cb 0.00 -0.57 -0.19 0.00 0.02 0.00 0.00 46.19 45.45 1jkz s LEU 30 CO 0.00 -0.92 1.26 0.16 0.02 0.00 0.00 176.35 176.87 1jkz h ILE 31 N 1.40 1.40 -0.98 -0.59 3.07 -1.86 -3.39 117.51 116.56 1jkz h ILE 31 Ca -0.42 -1.29 0.00 0.00 1.55 0.00 0.00 64.86 64.71 1jkz h ILE 31 Cb 1.31 2.16 0.00 0.00 -0.27 0.00 0.00 36.82 40.03 1jkz h ILE 31 CO 0.69 0.35 0.00 -0.24 -1.05 0.00 0.00 178.15 177.90 1jkz n SER 32 N -4.74 0.00 0.00 2.16 2.88 -1.26 -4.84 113.62 107.83 1jkz n SER 32 Ca -0.08 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1jkz n SER 32 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1jkz n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jkz n GLY 33 N 0.00 1.34 3.63 0.46 0.00 -1.26 -2.72 105.19 106.64 1jkz n GLY 33 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1jkz n GLY 33 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jkz s THR 34 N -1.47 1.95 -0.47 2.61 -1.32 -1.16 -2.46 115.64 113.32 1jkz s THR 34 Ca 0.00 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.20 1jkz s THR 34 Cb 0.00 -2.94 0.01 0.00 -1.51 0.00 0.00 72.50 68.06 1jkz s THR 34 CO 0.00 0.00 1.44 0.00 -2.21 0.00 0.00 174.62 173.85 1jkz n HIS 36 N 9.29 0.00 -0.98 0.00 8.25 0.36 -4.86 115.22 127.29 1jkz n HIS 36 Ca 0.15 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.25 1jkz n HIS 36 Cb 0.49 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.49 1jkz n HIS 36 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jkz n ASN 37 N 0.00 1.47 -1.65 0.41 3.02 -1.26 -3.43 115.26 113.83 1jkz n ASN 37 Ca 0.00 -2.54 -0.18 0.00 -0.03 0.00 0.00 54.58 51.83 1jkz n ASN 37 Cb 0.00 -0.98 -0.05 0.00 -0.61 0.00 0.00 39.78 38.14 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 11.81 -0.36 -4.22 3.10 5.03 -1.26 -4.96 117.44 126.58 1jkz n TRP 38 Ca 0.46 0.00 -0.17 0.00 3.03 0.00 0.00 57.50 60.82 1jkz n TRP 38 Cb 0.43 -3.25 -0.07 0.00 -1.03 0.00 0.00 31.31 27.39 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 -4.10 1.74 -0.22 -0.99 1.02 -1.22 -4.08 119.74 111.88 1jkz s LYS 39 Ca 0.00 -1.90 0.02 0.00 0.02 0.00 0.00 55.97 54.11 1jkz s LYS 39 Cb 0.00 0.35 0.04 0.00 -0.52 0.00 0.00 37.83 37.71 1jkz s LYS 39 CO 0.00 -0.66 -0.14 0.00 -0.92 0.00 0.00 175.35 173.63 1jkz s PHE 41 N 1.21 3.02 0.13 0.00 0.40 -1.21 -2.25 117.98 119.28 1jkz s PHE 41 Ca -0.03 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1jkz s PHE 41 Cb -0.17 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1jkz s PHE 41 CO -0.08 -0.01 0.09 0.00 0.70 0.00 0.00 175.22 175.91 1jkz s THR 43 N -1.60 4.27 0.08 0.00 -4.23 -1.10 0.70 115.64 113.76 1jkz s THR 43 Ca 0.29 -0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1jkz s THR 43 Cb -0.11 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1jkz s THR 43 CO 0.22 0.56 -0.13 -1.58 -0.54 0.00 0.00 174.62 173.15 1jkz s GLN 44 N -0.43 0.83 0.06 3.99 0.74 0.83 -3.59 119.66 122.08 1jkz s GLN 44 Ca 0.08 -1.01 -0.31 0.00 0.05 0.00 0.00 55.36 54.17 1jkz s GLN 44 Cb -0.12 -0.74 -0.06 0.00 1.10 0.00 0.00 33.01 33.18 1jkz s GLN 44 CO 0.02 0.15 1.36 -0.80 -0.55 0.00 0.00 175.29 175.47 1jkz s ASN 45 N -1.94 6.88 0.00 6.67 0.01 -1.26 -1.25 114.94 124.05 1jkz s ASN 45 Ca 0.00 2.18 0.00 0.00 -0.71 0.00 0.00 52.86 54.33 1jkz s ASN 45 Cb -0.08 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1jkz s ASN 45 CO 0.02 -0.65 0.00 0.00 -1.51 0.00 0.00 177.10 174.96