#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 0.03 -0.12 -0.18 -4.23 -1.26 -4.49 115.64 105.39 1jkz s THR 2 Ca 0.00 -0.26 -0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1jkz s THR 2 Cb 0.00 -0.45 -0.02 0.00 1.34 0.00 0.00 72.50 73.37 1jkz s THR 2 CO 0.00 -0.14 -0.12 0.00 -0.54 0.00 0.00 174.62 173.82 1jkz s GLU 4 N 0.17 2.59 -0.02 0.00 2.02 -1.26 -1.86 118.70 120.34 1jkz s GLU 4 Ca -0.06 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 54.00 1jkz s GLU 4 Cb -0.15 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.59 1jkz s GLU 4 CO 0.05 0.50 -0.05 -1.01 0.02 0.00 0.00 175.26 174.77 1jkz s HIS 5 N -1.57 0.59 -0.01 1.61 3.76 -0.57 -4.91 115.29 114.19 1jkz s HIS 5 Ca 0.28 -0.13 -0.25 0.00 -0.15 0.00 0.00 55.06 54.81 1jkz s HIS 5 Cb -0.10 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 1jkz s HIS 5 CO 0.20 -0.09 0.75 -1.17 -0.85 0.00 0.00 174.74 173.58 1jkz s LEU 6 N 0.40 4.38 -0.21 0.89 0.20 -1.26 0.58 118.68 123.66 1jkz s LEU 6 Ca -0.05 1.34 -0.20 0.00 0.69 0.00 0.00 54.13 55.91 1jkz s LEU 6 Cb -0.08 -3.19 -0.02 0.00 -0.43 0.00 0.00 46.19 42.46 1jkz s LEU 6 CO -0.00 -0.07 0.61 0.00 -0.29 0.00 0.00 176.35 176.61 1jkz s ALA 7 N 0.42 3.55 -1.01 5.97 0.00 0.60 -4.95 121.76 126.34 1jkz s ALA 7 Ca 0.39 -0.32 0.26 0.00 0.00 0.00 0.00 51.96 52.29 1jkz s ALA 7 Cb -0.19 -2.96 1.11 0.00 0.00 0.00 0.00 23.12 21.07 1jkz s ALA 7 CO 0.21 -0.58 1.83 -0.25 0.00 0.00 0.00 175.76 176.96 1jkz n ASP 8 N 5.13 0.00 -3.47 0.00 9.92 -1.26 -3.91 116.55 122.96 1jkz n ASP 8 Ca -0.02 0.48 -0.37 0.00 -0.53 0.00 0.00 54.79 54.36 1jkz n ASP 8 Cb 0.50 -0.49 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1jkz n ASP 8 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1jkz n THR 9 N -1.49 5.08 -2.32 -3.53 5.66 -1.26 -4.97 114.28 111.45 1jkz n THR 9 Ca 0.06 -5.85 0.00 0.00 -3.05 0.00 0.00 64.05 55.22 1jkz n THR 9 Cb 0.30 -1.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.50 1jkz n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jkz n TYR 10 N 0.05 0.00 -0.29 1.09 9.36 -1.25 -5.04 117.16 121.07 1jkz n TYR 10 Ca 0.40 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1jkz n TYR 10 Cb 0.31 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 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 0.00 3.20 0.00 2.98 1.74 -1.26 -5.15 116.66 118.17 1jkz n ARG 11 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1jkz n ARG 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 5.00 0.04 3.84 -0.13 0.00 -1.26 -5.05 105.19 107.63 1jkz n GLY 12 Ca 0.00 0.00 -0.36 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 1.06 4.83 -0.05 1.61 1.01 -1.26 -4.81 120.40 122.80 1jkz s VAL 13 Ca 0.00 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 1jkz s VAL 13 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1jkz s VAL 13 CO 0.00 0.31 0.18 0.00 0.00 0.00 0.00 175.10 175.59 1jkz n PHE 15 N 1.36 -0.11 -4.90 0.00 3.01 -1.26 -4.96 117.46 110.60 1jkz n PHE 15 Ca -0.14 0.02 -0.31 0.00 1.01 0.00 0.00 57.45 58.03 1jkz n PHE 15 Cb 0.53 0.10 -0.14 0.00 -0.01 0.00 0.00 39.48 39.97 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 2.41 0.53 4.37 -4.23 -1.26 -5.02 115.64 110.44 1jkz s THR 16 Ca 0.00 -1.22 0.36 0.00 -1.18 0.00 0.00 61.69 59.65 1jkz s THR 16 Cb 0.00 -1.95 0.56 0.00 1.34 0.00 0.00 72.50 72.45 1jkz s THR 16 CO 0.00 0.42 1.77 0.78 -0.54 0.00 0.00 174.62 177.05 1jkz h ASN 17 N 4.88 0.05 -0.85 3.99 4.21 -1.98 -1.14 115.58 124.74 1jkz h ASN 17 Ca -0.46 0.01 0.15 0.00 1.21 0.00 0.00 56.30 57.21 1jkz h ASN 17 Cb 1.14 0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 38.28 1jkz h ASN 17 CO 0.46 0.00 0.56 0.00 -1.29 0.00 0.00 177.43 177.16 1jkz h ALA 18 N 1.39 1.92 -0.93 -0.83 0.00 -1.95 -2.33 119.26 116.53 1jkz h ALA 18 Ca 0.62 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.73 1jkz h ALA 18 Cb 2.38 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.95 1jkz h ALA 18 CO -0.05 -0.15 0.50 0.66 0.00 0.00 0.00 179.25 180.21 1jkz h SER 19 N 0.61 0.57 0.13 0.00 4.64 -1.57 -1.75 113.55 116.18 1jkz h SER 19 Ca 0.43 0.12 -0.20 0.00 -0.47 0.00 0.00 61.79 61.66 1jkz h SER 19 Cb 0.76 0.03 0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1jkz h SER 19 CO -0.18 0.16 -0.94 0.00 -0.87 0.00 0.00 176.83 175.00 1jkz h ASP 21 N -0.37 -0.86 -0.20 0.00 3.58 -0.85 1.54 116.42 119.26 1jkz h ASP 21 Ca -0.18 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.42 1jkz h ASP 21 Cb 1.66 0.32 -0.07 0.00 1.72 0.00 0.00 39.33 42.96 1jkz h ASP 21 CO 0.13 -0.28 -0.34 -0.78 -2.88 0.00 0.00 179.24 175.09 1jkz h ASP 22 N -0.37 -1.07 -0.29 2.28 3.58 -1.52 0.13 116.42 119.15 1jkz h ASP 22 Ca 0.00 0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.66 1jkz h ASP 22 Cb 0.39 0.46 -0.08 0.00 1.72 0.00 0.00 39.33 41.83 1jkz h ASP 22 CO -0.17 -0.36 -0.53 -0.74 -2.88 0.00 0.00 179.24 174.56 1jkz h HIS 23 N -0.37 -1.59 -0.21 0.28 2.76 -1.29 0.32 115.15 115.04 1jkz h HIS 23 Ca 0.11 0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 1jkz h HIS 23 Cb 0.56 0.73 -0.05 0.00 1.55 0.00 0.00 27.41 30.20 1jkz h HIS 23 CO -0.45 -0.51 -0.10 0.00 -1.30 0.00 0.00 177.93 175.57 1jkz h LYS 25 N -0.08 0.44 0.20 0.00 1.57 0.11 0.27 116.57 119.09 1jkz h LYS 25 Ca 0.11 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.54 1jkz h LYS 25 Cb 0.25 -0.10 0.04 0.00 0.08 0.00 0.00 32.23 32.49 1jkz h LYS 25 CO -0.26 0.29 -1.39 -0.91 -0.57 0.00 0.00 179.45 176.62 1jkz h ASN 26 N 0.46 0.87 0.12 0.86 2.35 -0.05 -3.14 115.58 117.04 1jkz h ASN 26 Ca 0.26 -0.87 -0.01 0.00 -0.55 0.00 0.00 56.30 55.13 1jkz h ASN 26 Cb 0.23 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1jkz h ASN 26 CO -0.22 1.67 -0.06 0.11 -1.65 0.00 0.00 177.43 177.29 1jkz h LYS 27 N 0.20 -0.15 -3.02 0.81 1.79 0.43 -3.41 116.57 113.22 1jkz h LYS 27 Ca -0.23 0.01 -0.62 0.00 -2.18 0.00 0.00 60.65 57.63 1jkz h LYS 27 Cb 2.07 0.04 -0.41 0.00 -1.58 0.00 0.00 32.23 32.34 1jkz h LYS 27 CO 0.26 0.02 -0.64 0.00 -1.08 0.00 0.00 179.45 178.01 1jkz s ALA 28 N -2.98 3.38 0.00 3.86 0.00 0.94 -5.02 121.76 121.93 1jkz s ALA 28 Ca -0.05 -3.55 0.00 0.00 0.00 0.00 0.00 51.96 48.37 1jkz s ALA 28 Cb -0.00 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1jkz s ALA 28 CO 0.16 -2.07 0.35 1.58 0.00 0.00 0.00 175.76 175.78 1jkz n HIS 29 N 2.28 0.00 -4.34 0.00 -0.00 -1.19 -4.41 115.22 107.56 1jkz n HIS 29 Ca 0.19 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.21 1jkz n HIS 29 Cb 0.36 -0.22 -0.03 0.00 -0.12 0.00 0.00 29.99 29.98 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 1.96 0.00 -0.03 0.27 7.99 -1.25 -5.02 117.00 120.91 1jkz n LEU 30 Ca 0.00 -1.58 -0.14 0.00 -0.01 0.00 0.00 56.01 54.28 1jkz n LEU 30 Cb 0.17 0.17 -0.11 0.00 -0.11 0.00 0.00 43.42 43.54 1jkz n LEU 30 CO 0.17 -0.24 0.49 0.16 -1.51 0.00 0.00 177.39 176.47 1jkz h ILE 31 N 1.10 1.53 -2.60 -0.08 3.07 -1.87 -3.41 117.51 115.24 1jkz h ILE 31 Ca -0.21 -1.71 -0.03 0.00 1.55 0.00 0.00 64.86 64.46 1jkz h ILE 31 Cb 0.64 2.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.81 1jkz h ILE 31 CO 0.34 0.46 0.13 -1.54 -1.05 0.00 0.00 178.15 176.49 1jkz n SER 32 N -4.64 -1.21 -3.64 2.16 3.41 -1.26 -4.91 113.62 103.53 1jkz n SER 32 Ca -0.09 -1.89 -0.07 0.00 -0.26 0.00 0.00 58.87 56.55 1jkz n SER 32 Cb 0.40 2.03 -0.07 0.00 -0.26 0.00 0.00 64.21 66.31 1jkz n SER 32 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jkz s GLY 33 N -2.14 -0.01 0.21 5.00 0.00 -1.26 -2.12 107.32 107.00 1jkz s GLY 33 Ca 0.09 2.89 0.09 0.00 0.00 0.00 0.00 44.72 47.79 1jkz s GLY 33 CO 0.07 1.82 -0.17 -1.59 0.00 0.00 0.00 173.10 173.23 1jkz s THR 34 N 0.09 1.94 0.19 0.90 2.01 -0.55 -1.56 115.64 118.67 1jkz s THR 34 Ca 0.04 -2.16 -0.30 0.00 0.31 0.00 0.00 61.69 59.58 1jkz s THR 34 Cb -0.05 -2.04 -0.08 0.00 0.01 0.00 0.00 72.50 70.34 1jkz s THR 34 CO -0.09 -0.46 1.01 0.00 -0.69 0.00 0.00 174.62 174.40 1jkz s HIS 36 N -0.61 1.07 -0.94 0.00 3.76 0.32 -4.89 115.29 114.00 1jkz s HIS 36 Ca 0.45 -1.48 -0.08 0.00 -0.15 0.00 0.00 55.06 53.81 1jkz s HIS 36 Cb -0.27 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.10 1jkz s HIS 36 CO 0.33 -0.84 0.76 0.09 -0.85 0.00 0.00 174.74 174.23 1jkz n ASN 37 N 4.73 -6.39 -2.88 1.40 5.03 -1.26 -2.32 115.26 113.58 1jkz n ASN 37 Ca -0.00 -0.62 -0.22 0.00 0.87 0.00 0.00 54.58 54.61 1jkz n ASN 37 Cb 0.40 -4.17 0.02 0.00 -1.02 0.00 0.00 39.78 35.02 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 -2.93 -1.70 -4.04 3.10 5.03 -1.26 -4.98 117.44 110.66 1jkz n TRP 38 Ca -0.09 0.36 -0.08 0.00 3.03 0.00 0.00 57.50 60.73 1jkz n TRP 38 Cb 0.58 -4.11 -0.09 0.00 -1.03 0.00 0.00 31.31 26.65 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 -5.54 0.71 -0.18 -0.99 1.02 -0.98 -4.84 119.74 108.95 1jkz s LYS 39 Ca 0.22 -1.19 0.01 0.00 0.02 0.00 0.00 55.97 55.04 1jkz s LYS 39 Cb -0.10 0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.47 1jkz s LYS 39 CO 0.28 -0.17 -0.20 0.00 -0.92 0.00 0.00 175.35 174.34 1jkz s PHE 41 N 1.27 3.01 0.20 0.00 0.40 -0.59 -0.29 117.98 121.98 1jkz s PHE 41 Ca 0.04 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1jkz s PHE 41 Cb -0.13 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1jkz s PHE 41 CO -0.12 0.24 0.16 0.00 0.70 0.00 0.00 175.22 176.19 1jkz s THR 43 N -1.91 4.31 -0.06 0.00 -4.23 -0.90 -1.51 115.64 111.34 1jkz s THR 43 Ca 0.32 -0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 1jkz s THR 43 Cb -0.09 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.74 1jkz s THR 43 CO 0.24 0.34 -0.14 -1.58 -0.54 0.00 0.00 174.62 172.94 1jkz s GLN 44 N 1.59 1.72 -0.05 3.99 0.74 -0.78 -4.20 119.66 122.67 1jkz s GLN 44 Ca 0.06 -0.49 -0.30 0.00 0.05 0.00 0.00 55.36 54.69 1jkz s GLN 44 Cb -0.15 -1.44 -0.03 0.00 1.10 0.00 0.00 33.01 32.49 1jkz s GLN 44 CO 0.04 0.11 1.11 -0.80 -0.55 0.00 0.00 175.29 175.20 1jkz s ASN 45 N 0.40 7.16 0.00 6.67 -0.87 -1.26 -2.36 114.94 124.68 1jkz s ASN 45 Ca -0.10 1.73 0.00 0.00 -1.57 0.00 0.00 52.86 52.92 1jkz s ASN 45 Cb -0.14 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.53 1jkz s ASN 45 CO 0.03 -0.48 0.00 0.00 -2.57 0.00 0.00 177.10 174.08