#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 0.39 -0.11 -0.18 -4.23 -1.26 -4.07 115.64 106.18 1jkz s THR 2 Ca 0.00 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1jkz s THR 2 Cb 0.00 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1jkz s THR 2 CO 0.00 -0.46 -0.17 0.00 -0.54 0.00 0.00 174.62 173.45 1jkz s GLU 4 N 0.20 2.33 0.00 0.00 2.02 -1.26 -1.48 118.70 120.51 1jkz s GLU 4 Ca -0.10 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 53.96 1jkz s GLU 4 Cb -0.16 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1jkz s GLU 4 CO 0.06 0.55 0.16 -1.01 0.02 0.00 0.00 175.26 175.03 1jkz s HIS 5 N -0.56 0.02 -0.02 1.61 3.76 -1.08 -4.93 115.29 114.10 1jkz s HIS 5 Ca 0.08 -0.11 -0.24 0.00 -0.15 0.00 0.00 55.06 54.64 1jkz s HIS 5 Cb -0.11 -0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.50 1jkz s HIS 5 CO 0.00 -0.31 0.73 -1.17 -0.85 0.00 0.00 174.74 173.14 1jkz s LEU 6 N -1.43 4.38 -0.29 0.89 0.20 -1.26 -0.40 118.68 120.78 1jkz s LEU 6 Ca -0.14 1.31 -0.24 0.00 0.69 0.00 0.00 54.13 55.74 1jkz s LEU 6 Cb -0.07 -3.14 -0.00 0.00 -0.43 0.00 0.00 46.19 42.54 1jkz s LEU 6 CO 0.02 -0.05 0.81 0.00 -0.29 0.00 0.00 176.35 176.83 1jkz s ALA 7 N 0.38 3.56 -1.27 5.97 0.00 -1.01 -4.95 121.76 124.44 1jkz s ALA 7 Ca 0.38 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 1jkz s ALA 7 Cb -0.19 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 1jkz s ALA 7 CO 0.20 -1.13 2.83 -0.25 0.00 0.00 0.00 175.76 177.41 1jkz n ASP 8 N 6.17 7.45 0.00 0.00 8.00 -1.26 -3.29 116.55 133.62 1jkz n ASP 8 Ca 0.04 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 53.05 1jkz n ASP 8 Cb 0.48 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1jkz n ASP 8 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1jkz n THR 9 N 3.58 0.00 -4.04 -3.53 -2.24 -1.26 -5.05 114.28 101.73 1jkz n THR 9 Ca 0.67 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 62.12 1jkz n THR 9 Cb 0.29 -0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.32 3.30 -0.21 4.78 5.04 -1.21 -5.08 117.35 122.65 1jkz s TYR 10 Ca 0.00 -2.29 -0.04 0.00 -2.44 0.00 0.00 57.07 52.30 1jkz s TYR 10 Cb 0.00 -2.02 0.11 0.00 0.35 0.00 0.00 41.96 40.40 1jkz s TYR 10 CO 0.00 -0.87 0.30 1.03 -1.34 0.00 0.00 175.55 174.66 1jkz s ARG 11 N 1.12 0.26 0.00 4.97 0.52 -1.26 -4.41 118.95 120.14 1jkz s ARG 11 Ca -0.07 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 1jkz s ARG 11 Cb -0.20 -0.75 0.00 0.00 0.52 0.00 0.00 34.95 34.52 1jkz s ARG 11 CO -0.04 -0.60 0.00 0.41 0.02 0.00 0.00 175.30 175.08 1jkz n GLY 12 N 5.34 3.13 3.53 -3.53 0.00 -1.26 -5.10 105.19 107.31 1jkz n GLY 12 Ca -0.05 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.57 4.73 -0.05 1.61 1.01 -1.26 -4.15 120.40 120.72 1jkz s VAL 13 Ca 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1jkz s VAL 13 Cb 0.00 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1jkz s VAL 13 CO 0.00 -0.64 0.33 0.00 0.00 0.00 0.00 175.10 174.78 1jkz n PHE 15 N 2.13 0.00 -4.49 0.00 3.01 -1.26 -4.90 117.46 111.95 1jkz n PHE 15 Ca -0.15 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.00 1jkz n PHE 15 Cb 0.53 -0.18 -0.11 0.00 -0.01 0.00 0.00 39.48 39.70 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 -2.09 3.12 0.46 4.37 -4.23 -1.26 -5.02 115.64 110.98 1jkz s THR 16 Ca -0.07 -1.13 0.24 0.00 -1.18 0.00 0.00 61.69 59.55 1jkz s THR 16 Cb 0.02 -2.37 0.43 0.00 1.34 0.00 0.00 72.50 71.93 1jkz s THR 16 CO 0.10 0.29 1.82 0.78 -0.54 0.00 0.00 174.62 177.07 1jkz h ASN 17 N 4.28 0.27 -0.13 3.99 4.21 -1.97 -0.19 115.58 126.04 1jkz h ASN 17 Ca -0.48 0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.11 1jkz h ASN 17 Cb 1.16 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 1jkz h ASN 17 CO 0.50 0.08 0.15 0.00 -1.29 0.00 0.00 177.43 176.86 1jkz h ALA 18 N 1.57 1.75 -0.08 -0.83 0.00 -1.95 -2.87 119.26 116.84 1jkz h ALA 18 Ca 0.52 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.46 1jkz h ALA 18 Cb 1.58 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 1jkz h ALA 18 CO -0.16 -0.22 -0.19 0.77 0.00 0.00 0.00 179.25 179.45 1jkz h SER 19 N 0.00 -0.59 0.22 0.00 0.02 -1.38 -1.77 113.55 110.05 1jkz h SER 19 Ca 0.06 0.10 -0.31 0.00 -0.84 0.00 0.00 61.79 60.80 1jkz h SER 19 Cb 0.36 0.26 0.03 0.00 0.14 0.00 0.00 62.40 63.19 1jkz h SER 19 CO -0.00 -0.25 -1.34 0.00 -1.14 0.00 0.00 176.83 174.10 1jkz h ASP 21 N 0.21 -1.70 -0.45 0.00 3.58 -0.89 1.38 116.42 118.55 1jkz h ASP 21 Ca -0.21 0.21 0.09 0.00 0.42 0.00 0.00 57.03 57.53 1jkz h ASP 21 Cb 2.02 0.67 -0.08 0.00 1.72 0.00 0.00 39.33 43.66 1jkz h ASP 21 CO 0.25 -0.48 -0.10 -0.78 -2.88 0.00 0.00 179.24 175.26 1jkz h ASP 22 N -0.57 -0.38 0.14 2.28 3.58 -1.45 0.71 116.42 120.73 1jkz h ASP 22 Ca 0.04 0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.63 1jkz h ASP 22 Cb 0.67 0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.95 1jkz h ASP 22 CO -0.45 -0.14 -0.43 -0.74 -2.88 0.00 0.00 179.24 174.61 1jkz h HIS 23 N 0.01 -1.24 -0.95 0.28 2.76 -0.96 0.70 115.15 115.76 1jkz h HIS 23 Ca 0.22 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.51 1jkz h HIS 23 Cb 0.33 0.52 -0.07 0.00 1.55 0.00 0.00 27.41 29.74 1jkz h HIS 23 CO -0.38 -0.50 0.61 0.00 -1.30 0.00 0.00 177.93 176.37 1jkz h LYS 25 N 1.01 0.91 0.00 0.00 3.64 0.12 -1.54 116.57 120.71 1jkz h LYS 25 Ca 0.43 -0.31 -0.25 0.00 -1.27 0.00 0.00 60.65 59.25 1jkz h LYS 25 Cb 0.33 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1jkz h LYS 25 CO -0.19 0.96 -1.61 0.09 -2.27 0.00 0.00 179.45 176.43 1jkz n ASN 26 N -4.28 0.87 -0.06 4.20 3.02 0.24 -3.71 115.26 115.54 1jkz n ASN 26 Ca 0.01 0.40 -0.06 0.00 -0.03 0.00 0.00 54.58 54.90 1jkz n ASN 26 Cb 0.35 0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.48 1jkz n ASN 26 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1jkz h LYS 27 N 0.00 0.00 -2.53 3.52 3.11 0.37 -3.44 116.57 117.61 1jkz h LYS 27 Ca -0.25 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.03 1jkz h LYS 27 Cb 1.87 0.00 -0.38 0.00 -1.00 0.00 0.00 32.23 32.72 1jkz h LYS 27 CO 0.07 0.38 -0.84 0.00 -2.81 0.00 0.00 179.45 176.24 1jkz s ALA 28 N -2.44 0.83 0.00 5.00 0.00 -0.59 -5.04 121.76 119.52 1jkz s ALA 28 Ca -0.09 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1jkz s ALA 28 Cb -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1jkz s ALA 28 CO 0.27 -2.11 0.48 1.58 0.00 0.00 0.00 175.76 175.98 1jkz n HIS 29 N 4.02 0.00 -3.19 0.00 -0.00 -1.13 -4.49 115.22 110.42 1jkz n HIS 29 Ca 0.13 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.23 1jkz n HIS 29 Cb 0.38 -0.38 0.02 0.00 -0.12 0.00 0.00 29.99 29.88 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 3.34 0.00 -0.04 0.27 7.99 -1.24 -5.04 117.00 122.28 1jkz n LEU 30 Ca 0.00 -0.89 -0.13 0.00 -0.01 0.00 0.00 56.01 54.98 1jkz n LEU 30 Cb 0.24 -0.11 -0.07 0.00 -0.11 0.00 0.00 43.42 43.37 1jkz n LEU 30 CO 0.24 -0.51 0.67 0.16 -1.51 0.00 0.00 177.39 176.44 1jkz h ILE 31 N 0.18 1.32 -2.81 -0.08 3.07 -1.87 -3.45 117.51 113.86 1jkz h ILE 31 Ca -0.10 -1.06 0.03 0.00 1.55 0.00 0.00 64.86 65.27 1jkz h ILE 31 Cb 0.43 1.80 -0.12 0.00 -0.27 0.00 0.00 36.82 38.66 1jkz h ILE 31 CO 0.15 0.30 0.29 -0.55 -1.05 0.00 0.00 178.15 177.29 1jkz s SER 32 N -5.86 -0.48 -0.05 2.16 0.15 -1.26 -5.05 113.70 103.31 1jkz s SER 32 Ca -0.15 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.41 1jkz s SER 32 Cb 0.05 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 64.95 1jkz s SER 32 CO 0.72 -0.93 0.08 -0.83 1.20 0.00 0.00 173.24 173.48 1jkz s GLY 33 N -2.71 0.17 0.35 9.45 0.00 -1.26 -1.86 107.32 111.45 1jkz s GLY 33 Ca 0.03 0.27 0.08 0.00 0.00 0.00 0.00 44.72 45.11 1jkz s GLY 33 CO -0.10 1.38 0.20 -1.08 0.00 0.00 0.00 173.10 173.50 1jkz s THR 34 N 2.09 3.01 -0.26 0.90 -1.32 -1.16 -1.07 115.64 117.82 1jkz s THR 34 Ca 0.03 -1.60 -0.11 0.00 -1.21 0.00 0.00 61.69 58.80 1jkz s THR 34 Cb -0.12 -3.02 -0.05 0.00 -1.51 0.00 0.00 72.50 67.80 1jkz s THR 34 CO -0.04 -0.14 0.20 0.00 -2.21 0.00 0.00 174.62 172.43 1jkz n HIS 36 N 4.83 0.00 -1.33 0.00 8.25 0.14 -4.86 115.22 122.24 1jkz n HIS 36 Ca -0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.16 1jkz n HIS 36 Cb 0.52 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 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 0.80 -3.71 0.41 4.13 -1.26 -3.23 115.26 112.40 1jkz n ASN 37 Ca 0.00 -2.30 -0.22 0.00 1.68 0.00 0.00 54.58 53.74 1jkz n ASN 37 Cb 0.00 -1.36 0.04 0.00 -1.54 0.00 0.00 39.78 36.91 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1jkz n TRP 38 N 16.06 -1.97 -3.46 3.10 7.02 -1.26 -4.99 117.44 131.93 1jkz n TRP 38 Ca 0.36 0.85 -0.11 0.00 -1.02 0.00 0.00 57.50 57.58 1jkz n TRP 38 Cb 0.46 -4.40 -0.02 0.00 -2.42 0.00 0.00 31.31 24.93 1jkz n TRP 38 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1jkz s LYS 39 N -6.01 1.09 -0.20 -0.99 -2.85 -1.20 -4.45 119.74 105.14 1jkz s LYS 39 Ca 0.07 -0.36 -0.05 0.00 -1.00 0.00 0.00 55.97 54.63 1jkz s LYS 39 Cb -0.03 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 1jkz s LYS 39 CO 0.81 -0.47 -0.01 0.00 0.10 0.00 0.00 175.35 175.78 1jkz s PHE 41 N 0.96 2.37 0.22 0.00 0.40 -1.17 -2.41 117.98 118.35 1jkz s PHE 41 Ca 0.01 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 56.05 1jkz s PHE 41 Cb -0.14 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1jkz s PHE 41 CO 0.02 0.21 0.08 0.00 0.70 0.00 0.00 175.22 176.23 1jkz s THR 43 N -2.04 4.00 0.04 0.00 -4.23 -0.78 -2.62 115.64 110.02 1jkz s THR 43 Ca 0.31 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1jkz s THR 43 Cb -0.08 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1jkz s THR 43 CO 0.22 0.48 -0.06 -1.58 -0.54 0.00 0.00 174.62 173.13 1jkz s GLN 44 N 0.50 0.50 0.04 3.99 0.74 -0.55 -3.82 119.66 121.06 1jkz s GLN 44 Ca -0.02 -0.79 -0.30 0.00 0.05 0.00 0.00 55.36 54.30 1jkz s GLN 44 Cb -0.14 -0.15 -0.04 0.00 1.10 0.00 0.00 33.01 33.78 1jkz s GLN 44 CO 0.02 0.01 0.96 -0.80 -0.55 0.00 0.00 175.29 174.93 1jkz s ASN 45 N -1.74 7.41 0.00 6.67 0.01 -1.26 -0.91 114.94 125.11 1jkz s ASN 45 Ca -0.09 1.70 0.00 0.00 -0.71 0.00 0.00 52.86 53.76 1jkz s ASN 45 Cb -0.08 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.01 1jkz s ASN 45 CO -0.01 -0.17 0.00 0.00 -1.51 0.00 0.00 177.10 175.41