#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 0.09 0.27 -0.18 -4.23 -1.26 -4.07 115.64 106.26 1jkz s THR 2 Ca 0.00 -1.59 0.09 0.00 -1.18 0.00 0.00 61.69 59.01 1jkz s THR 2 Cb 0.00 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 1jkz s THR 2 CO 0.00 -0.40 0.03 0.00 -0.54 0.00 0.00 174.62 173.71 1jkz s GLU 4 N -3.71 3.69 -0.28 0.00 0.41 -1.26 -1.62 118.70 115.93 1jkz s GLU 4 Ca 0.32 -0.49 0.02 0.00 -0.41 0.00 0.00 54.97 54.40 1jkz s GLU 4 Cb -0.06 -3.06 0.08 0.00 -1.78 0.00 0.00 34.13 29.31 1jkz s GLU 4 CO 0.21 0.11 -0.01 -1.01 -0.49 0.00 0.00 175.26 174.07 1jkz s HIS 5 N 0.73 2.83 0.12 1.61 3.76 0.46 -4.90 115.29 119.91 1jkz s HIS 5 Ca 0.00 -2.20 -0.29 0.00 -0.15 0.00 0.00 55.06 52.42 1jkz s HIS 5 Cb -0.14 -2.04 -0.06 0.00 1.11 0.00 0.00 32.58 31.45 1jkz s HIS 5 CO 0.02 -0.86 0.93 -1.17 -0.85 0.00 0.00 174.74 172.81 1jkz s LEU 6 N 1.24 4.52 -0.00 0.89 2.96 -1.26 0.11 118.68 127.14 1jkz s LEU 6 Ca 0.01 1.77 -0.18 0.00 -0.22 0.00 0.00 54.13 55.50 1jkz s LEU 6 Cb -0.19 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1jkz s LEU 6 CO -0.09 -0.01 0.52 0.00 -1.32 0.00 0.00 176.35 175.45 1jkz s ALA 7 N -0.23 3.57 -0.22 5.97 0.00 0.24 -4.94 121.76 126.15 1jkz s ALA 7 Ca 0.44 -0.07 0.20 0.00 0.00 0.00 0.00 51.96 52.54 1jkz s ALA 7 Cb -0.23 -2.61 -0.00 0.00 0.00 0.00 0.00 23.12 20.28 1jkz s ALA 7 CO 0.29 0.28 1.06 -0.44 0.00 0.00 0.00 175.76 176.96 1jkz h ASP 8 N 5.28 0.00 -2.93 0.00 3.32 -1.96 -3.41 116.42 116.72 1jkz h ASP 8 Ca -0.47 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 55.84 1jkz h ASP 8 Cb 1.21 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 1jkz h ASP 8 CO 0.67 0.19 0.22 0.35 -1.72 0.00 0.00 179.24 178.95 1jkz n THR 9 N -2.81 4.02 -3.35 0.35 -2.24 -1.26 -5.02 114.28 103.96 1jkz n THR 9 Ca -0.02 -5.51 -0.06 0.00 -2.27 0.00 0.00 64.05 56.19 1jkz n THR 9 Cb 0.64 -2.22 0.01 0.00 -2.10 0.00 0.00 70.33 66.66 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 1.61 -1.92 -1.48 4.78 9.36 -1.26 -5.05 117.16 123.20 1jkz n TYR 10 Ca 0.26 -0.56 -0.22 0.00 3.32 0.00 0.00 57.90 60.69 1jkz n TYR 10 Cb 0.36 -0.12 0.12 0.00 -0.63 0.00 0.00 39.34 39.07 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 -1.03 2.54 0.00 2.98 1.74 -1.26 -5.06 116.66 116.58 1jkz n ARG 11 Ca 0.01 -3.38 0.00 0.00 -0.77 0.00 0.00 57.85 53.72 1jkz n ARG 11 Cb 0.15 -2.14 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 -0.98 0.90 3.79 -0.13 0.00 -1.26 -4.94 105.19 102.57 1jkz n GLY 12 Ca 0.51 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.29 1.61 1.01 -1.26 -4.53 120.40 120.76 1jkz s VAL 13 Ca 0.00 1.21 -0.10 0.00 0.00 0.00 0.00 61.98 63.09 1jkz s VAL 13 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1jkz s VAL 13 CO 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 175.10 175.08 1jkz n PHE 15 N 5.00 0.00 -4.01 0.00 3.01 -1.26 -4.83 117.46 115.38 1jkz n PHE 15 Ca -0.14 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.97 1jkz n PHE 15 Cb 0.51 -0.10 -0.06 0.00 -0.01 0.00 0.00 39.48 39.81 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 -1.41 5.11 0.24 4.37 -4.23 -1.26 -4.95 115.64 113.52 1jkz s THR 16 Ca -0.06 -0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 60.20 1jkz s THR 16 Cb 0.01 -3.31 0.28 0.00 1.34 0.00 0.00 72.50 70.81 1jkz s THR 16 CO 0.09 0.43 1.63 0.78 -0.54 0.00 0.00 174.62 177.00 1jkz h ASN 17 N 4.30 -0.44 -1.16 3.99 4.21 -1.96 0.31 115.58 124.83 1jkz h ASN 17 Ca -0.51 0.20 0.39 0.00 1.21 0.00 0.00 56.30 57.60 1jkz h ASN 17 Cb 1.20 0.37 -0.14 0.00 -1.12 0.00 0.00 38.32 38.63 1jkz h ASN 17 CO 0.63 -0.20 0.71 0.00 -1.29 0.00 0.00 177.43 177.28 1jkz h ALA 18 N 1.71 2.40 0.15 -0.83 0.00 -1.95 0.13 119.26 120.87 1jkz h ALA 18 Ca 0.39 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.48 1jkz h ALA 18 Cb 0.67 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1jkz h ALA 18 CO -0.69 -1.04 -0.38 0.66 0.00 0.00 0.00 179.25 177.80 1jkz h SER 19 N 0.15 -1.09 -0.16 0.00 4.64 -0.77 -1.88 113.55 114.43 1jkz h SER 19 Ca 0.79 0.12 -0.19 0.00 -0.47 0.00 0.00 61.79 62.04 1jkz h SER 19 Cb 2.22 0.41 0.01 0.00 -0.31 0.00 0.00 62.40 64.73 1jkz h SER 19 CO -0.53 -0.46 -0.64 0.00 -0.87 0.00 0.00 176.83 174.33 1jkz h ASP 21 N 0.42 -1.05 -0.20 0.00 3.58 -0.77 1.55 116.42 119.95 1jkz h ASP 21 Ca -0.03 0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.59 1jkz h ASP 21 Cb 1.27 0.39 -0.07 0.00 1.72 0.00 0.00 39.33 42.65 1jkz h ASP 21 CO 0.13 -0.35 -0.26 -0.78 -2.88 0.00 0.00 179.24 175.11 1jkz h ASP 22 N -0.45 -0.83 -0.45 2.28 3.58 -1.47 -0.42 116.42 118.65 1jkz h ASP 22 Ca 0.00 0.14 0.08 0.00 0.42 0.00 0.00 57.03 57.68 1jkz h ASP 22 Cb 0.47 0.38 -0.10 0.00 1.72 0.00 0.00 39.33 41.80 1jkz h ASP 22 CO -0.21 -0.30 -0.35 -0.74 -2.88 0.00 0.00 179.24 174.75 1jkz h HIS 23 N -0.29 -0.99 0.24 0.28 2.76 -1.17 0.22 115.15 116.19 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 0.48 0.50 -0.04 0.00 1.55 0.00 0.00 27.41 29.90 1jkz h HIS 23 CO -0.39 -0.40 -0.46 0.00 -1.30 0.00 0.00 177.93 175.38 1jkz h LYS 25 N -0.78 0.74 0.17 0.00 1.57 -0.43 0.42 116.57 118.26 1jkz h LYS 25 Ca -0.01 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.42 1jkz h LYS 25 Cb 0.75 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1jkz h LYS 25 CO -0.20 0.49 -1.41 -0.91 -0.57 0.00 0.00 179.45 176.85 1jkz h ASN 26 N 0.76 0.55 0.00 0.86 2.35 -0.17 -3.32 115.58 116.61 1jkz h ASN 26 Ca 0.44 -0.64 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 1jkz h ASN 26 Cb 0.50 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1jkz h ASN 26 CO -0.29 1.51 -0.58 0.11 -1.65 0.00 0.00 177.43 176.52 1jkz h LYS 27 N 0.10 0.00 -3.12 0.81 1.79 0.19 -3.44 116.57 112.90 1jkz h LYS 27 Ca -0.21 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.64 1jkz h LYS 27 Cb 2.05 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 32.29 1jkz h LYS 27 CO 0.21 0.32 -0.62 0.00 -1.08 0.00 0.00 179.45 178.28 1jkz s ALA 28 N -2.58 3.47 0.00 3.86 0.00 0.15 -5.01 121.76 121.65 1jkz s ALA 28 Ca -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 51.96 48.24 1jkz s ALA 28 Cb 0.02 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1jkz s ALA 28 CO 0.31 -2.07 0.29 1.58 0.00 0.00 0.00 175.76 175.87 1jkz n HIS 29 N 2.40 0.00 -4.38 0.00 -0.00 -1.16 -4.38 115.22 107.69 1jkz n HIS 29 Ca 0.16 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.17 1jkz n HIS 29 Cb 0.35 -0.19 -0.04 0.00 -0.12 0.00 0.00 29.99 29.99 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 1.67 0.00 -0.09 0.27 4.32 -1.25 -5.01 117.00 116.91 1jkz n LEU 30 Ca 0.00 -1.65 -0.16 0.00 -0.02 0.00 0.00 56.01 54.18 1jkz n LEU 30 Cb 0.15 0.21 -0.10 0.00 -1.62 0.00 0.00 43.42 42.05 1jkz n LEU 30 CO 0.15 -0.24 -0.16 0.16 -1.22 0.00 0.00 177.39 176.08 1jkz h ILE 31 N 1.15 1.05 -3.43 -0.08 3.07 -1.86 -3.39 117.51 114.01 1jkz h ILE 31 Ca -0.22 -2.02 -0.04 0.00 1.55 0.00 0.00 64.86 64.13 1jkz h ILE 31 Cb 0.66 2.22 -0.11 0.00 -0.27 0.00 0.00 36.82 39.32 1jkz h ILE 31 CO 0.36 0.35 -0.06 -0.44 -1.05 0.00 0.00 178.15 177.32 1jkz s SER 32 N -6.43 -0.20 -0.00 2.16 0.01 -1.26 -4.86 113.70 103.11 1jkz s SER 32 Ca -0.22 -0.52 -0.10 0.00 1.31 0.00 0.00 55.95 56.42 1jkz s SER 32 Cb 0.02 0.53 0.01 0.00 0.21 0.00 0.00 66.02 66.79 1jkz s SER 32 CO 0.54 -0.98 0.20 -0.83 0.41 0.00 0.00 173.24 172.58 1jkz s GLY 33 N -2.88 -0.03 0.15 3.44 0.00 -1.26 -0.74 107.32 106.00 1jkz s GLY 33 Ca 0.09 0.05 0.09 0.00 0.00 0.00 0.00 44.72 44.95 1jkz s GLY 33 CO -0.04 -0.11 -0.19 -1.59 0.00 0.00 0.00 173.10 171.16 1jkz s THR 34 N -1.34 1.81 -0.04 0.90 2.01 -0.88 -3.58 115.64 114.53 1jkz s THR 34 Ca -0.14 -1.84 -0.30 0.00 0.31 0.00 0.00 61.69 59.73 1jkz s THR 34 Cb -0.07 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1jkz s THR 34 CO 0.03 -0.25 1.45 0.00 -0.69 0.00 0.00 174.62 175.16 1jkz n HIS 36 N 6.03 0.00 -1.06 0.00 8.25 -0.85 -4.96 115.22 122.64 1jkz n HIS 36 Ca 0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.32 1jkz n HIS 36 Cb 0.43 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.43 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 1.13 -2.52 0.41 3.02 -1.26 -3.39 115.26 112.65 1jkz n ASN 37 Ca 0.00 -2.47 -0.19 0.00 -0.03 0.00 0.00 54.58 51.89 1jkz n ASN 37 Cb 0.00 -1.13 -0.00 0.00 -0.61 0.00 0.00 39.78 38.04 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 14.60 -1.25 -4.19 3.10 5.03 -1.26 -4.95 117.44 128.52 1jkz n TRP 38 Ca 0.43 0.08 -0.18 0.00 3.03 0.00 0.00 57.50 60.87 1jkz n TRP 38 Cb 0.44 -3.73 -0.06 0.00 -1.03 0.00 0.00 31.31 26.94 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 -5.16 1.89 -0.23 -0.99 1.02 -1.22 -4.33 119.74 110.72 1jkz s LYS 39 Ca 0.05 -1.93 0.02 0.00 0.02 0.00 0.00 55.97 54.13 1jkz s LYS 39 Cb -0.02 0.39 0.05 0.00 -0.52 0.00 0.00 37.83 37.73 1jkz s LYS 39 CO 0.06 -0.75 -0.10 0.00 -0.92 0.00 0.00 175.35 173.64 1jkz s PHE 41 N 1.26 3.05 0.11 0.00 0.40 -1.21 -0.59 117.98 121.01 1jkz s PHE 41 Ca -0.05 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 1jkz s PHE 41 Cb -0.18 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1jkz s PHE 41 CO -0.07 -0.14 0.09 0.00 0.70 0.00 0.00 175.22 175.81 1jkz s THR 43 N -1.53 4.53 -0.00 0.00 -1.32 0.08 0.17 115.64 117.58 1jkz s THR 43 Ca 0.30 -0.13 0.05 0.00 -1.21 0.00 0.00 61.69 60.70 1jkz s THR 43 Cb -0.11 -3.01 -0.02 0.00 -1.51 0.00 0.00 72.50 67.85 1jkz s THR 43 CO 0.22 0.49 -0.17 -1.58 -2.21 0.00 0.00 174.62 171.37 1jkz s GLN 44 N 0.20 1.35 0.03 7.08 0.74 -0.64 -3.73 119.66 124.69 1jkz s GLN 44 Ca 0.02 -0.66 -0.30 0.00 0.05 0.00 0.00 55.36 54.47 1jkz s GLN 44 Cb -0.13 -1.33 -0.08 0.00 1.10 0.00 0.00 33.01 32.58 1jkz s GLN 44 CO 0.01 0.36 1.71 -0.80 -0.55 0.00 0.00 175.29 176.02 1jkz s ASN 45 N -0.56 6.59 0.00 6.67 -0.87 -1.26 -1.39 114.94 124.12 1jkz s ASN 45 Ca 0.06 2.45 0.00 0.00 -1.57 0.00 0.00 52.86 53.80 1jkz s ASN 45 Cb -0.07 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1jkz s ASN 45 CO -0.00 -0.93 0.00 0.00 -2.57 0.00 0.00 177.10 173.60