#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kj6 s ILE 2 N 0.00 0.78 0.29 -0.61 1.01 -1.26 -5.14 121.20 116.27 1kj6 s ILE 2 Ca 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 1kj6 s ILE 2 Cb 0.00 -0.67 -0.10 0.00 0.01 0.00 0.00 42.46 41.71 1kj6 s ILE 2 CO 0.00 0.23 0.95 -0.51 0.00 0.00 0.00 174.94 175.61 1kj6 s ILE 3 N -0.05 4.15 -0.16 2.92 1.10 -1.26 -4.98 121.20 122.91 1kj6 s ILE 3 Ca 0.01 1.92 -0.08 0.00 -0.51 0.00 0.00 60.65 61.99 1kj6 s ILE 3 Cb -0.06 -4.13 -0.07 0.00 0.15 0.00 0.00 42.46 38.35 1kj6 s ILE 3 CO -0.00 0.28 -0.21 0.59 -2.11 0.00 0.00 174.94 173.49 1kj6 n ASN 4 N 0.91 1.17 -4.81 4.50 3.02 -1.26 -5.03 115.26 113.76 1kj6 n ASN 4 Ca 0.00 0.19 -0.30 0.00 -0.03 0.00 0.00 54.58 54.45 1kj6 n ASN 4 Cb 0.49 -0.47 0.08 0.00 -0.61 0.00 0.00 39.78 39.27 1kj6 n ASN 4 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kj6 s THR 5 N -2.30 3.29 -0.25 3.41 -4.23 -1.26 -5.01 115.64 109.30 1kj6 s THR 5 Ca -0.23 0.42 0.13 0.00 -1.18 0.00 0.00 61.69 60.84 1kj6 s THR 5 Cb 0.09 -3.17 0.47 0.00 1.34 0.00 0.00 72.50 71.22 1kj6 s THR 5 CO 0.29 -0.55 1.17 0.00 -0.54 0.00 0.00 174.62 174.99 1kj6 n LEU 6 N -3.35 3.44 0.00 4.79 -0.00 -1.26 -4.80 117.00 115.82 1kj6 n LEU 6 Ca 0.07 -3.97 0.04 0.00 -0.00 0.00 0.00 56.01 52.15 1kj6 n LEU 6 Cb 0.56 -0.09 0.23 0.00 -0.00 0.00 0.00 43.42 44.11 1kj6 n LEU 6 CO 0.56 1.61 0.49 0.00 -0.00 0.00 0.00 177.39 180.05 1kj6 n GLN 7 N -0.65 0.22 0.16 1.47 6.02 -1.26 -1.06 117.38 122.28 1kj6 n GLN 7 Ca 0.28 0.05 0.12 0.00 -0.01 0.00 0.00 57.00 57.44 1kj6 n GLN 7 Cb 0.90 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.80 1kj6 n GLN 7 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1kj6 h LYS 8 N 0.00 0.00 -0.05 -1.09 1.79 -1.97 -3.39 116.57 111.87 1kj6 h LYS 8 Ca 0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 1kj6 h LYS 8 Cb 0.02 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 30.48 1kj6 h LYS 8 CO 0.00 0.00 -0.42 2.48 -1.08 0.00 0.00 179.45 180.43 1kj6 n TYR 9 N -2.81 -0.92 -0.02 -1.35 0.18 -0.40 -4.95 117.16 106.88 1kj6 n TYR 9 Ca 0.03 -1.30 -0.15 0.00 1.88 0.00 0.00 57.90 58.36 1kj6 n TYR 9 Cb 0.52 0.92 -0.03 0.00 -0.38 0.00 0.00 39.34 40.37 1kj6 n TYR 9 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1kj6 h TYR 10 N 0.86 0.95 -0.13 -3.48 5.03 -1.29 -2.78 116.97 116.13 1kj6 h TYR 10 Ca -0.44 -0.39 0.00 0.00 2.58 0.00 0.00 58.73 60.48 1kj6 h TYR 10 Cb 1.37 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.50 1kj6 h TYR 10 CO -0.03 1.20 0.00 0.00 -1.32 0.00 0.00 178.16 178.01 1kj6 n ARG 12 N -0.04 2.28 0.09 0.00 0.63 -1.07 -3.54 116.66 115.01 1kj6 n ARG 12 Ca 0.05 0.01 -0.20 0.00 -0.92 0.00 0.00 57.85 56.78 1kj6 n ARG 12 Cb 0.21 -1.21 -0.15 0.00 0.45 0.00 0.00 32.46 31.76 1kj6 n ARG 12 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 1kj6 h VAL 13 N 0.00 1.14 0.00 5.15 -1.51 -1.51 -3.41 116.25 116.11 1kj6 h VAL 13 Ca -0.22 -2.72 -0.10 0.00 -1.23 0.00 0.00 66.70 62.43 1kj6 h VAL 13 Cb 1.48 2.83 -0.16 0.00 -2.13 0.00 0.00 31.29 33.31 1kj6 h VAL 13 CO 0.00 0.84 -0.46 -2.11 -1.23 0.00 0.00 177.57 174.61 1kj6 n ARG 14 N -3.55 0.00 -1.94 5.19 -4.01 -1.20 -5.10 116.66 106.05 1kj6 n ARG 14 Ca -0.18 -1.07 -0.43 0.00 -1.04 0.00 0.00 57.85 55.13 1kj6 n ARG 14 Cb 1.06 0.14 -0.03 0.00 -3.04 0.00 0.00 32.46 30.60 1kj6 n ARG 14 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1kj6 s GLY 15 N -1.07 1.24 0.00 2.89 0.00 -1.21 -4.94 107.32 104.24 1kj6 s GLY 15 Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1kj6 s GLY 15 CO -0.05 3.21 0.38 0.61 0.00 0.00 0.00 173.10 177.25 1kj6 n GLY 16 N 4.65 -1.52 3.40 0.20 0.00 -1.26 -4.87 105.19 105.78 1kj6 n GLY 16 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1kj6 n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kj6 s ARG 17 N -0.84 1.61 0.01 1.61 1.70 -0.49 -5.00 118.95 117.55 1kj6 s ARG 17 Ca 0.00 -1.91 0.03 0.00 -0.47 0.00 0.00 55.73 53.38 1kj6 s ARG 17 Cb 0.00 -0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 33.89 1kj6 s ARG 17 CO 0.00 -0.32 -0.09 0.00 -1.08 0.00 0.00 175.30 173.81 1kj6 s ALA 19 N -0.47 4.23 -0.06 0.00 0.00 -1.02 -4.98 121.76 119.46 1kj6 s ALA 19 Ca 0.01 -1.73 -0.18 0.00 0.00 0.00 0.00 51.96 50.06 1kj6 s ALA 19 Cb -0.05 -1.33 -0.30 0.00 0.00 0.00 0.00 23.12 21.44 1kj6 s ALA 19 CO 0.00 -0.20 0.76 0.28 0.00 0.00 0.00 175.76 176.60 1kj6 h VAL 20 N 0.90 1.25 0.00 0.00 2.07 -1.92 -3.37 116.25 115.18 1kj6 h VAL 20 Ca -0.42 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 64.60 1kj6 h VAL 20 Cb 1.27 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 1kj6 h VAL 20 CO 0.52 0.73 0.00 -0.11 0.02 0.00 0.00 177.57 178.74 1kj6 n LEU 21 N -3.96 0.00 -4.46 2.57 7.94 -1.25 -4.36 117.00 113.48 1kj6 n LEU 21 Ca -0.19 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.42 1kj6 n LEU 21 Cb 0.91 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.74 1kj6 n LEU 21 CO 0.47 -0.47 -0.51 -0.94 -1.11 0.00 0.00 177.39 174.83 1kj6 s SER 22 N -4.65 3.73 1.34 1.96 1.04 -1.26 -4.37 113.70 111.49 1kj6 s SER 22 Ca 0.00 -0.63 -0.19 0.00 0.48 0.00 0.00 55.95 55.61 1kj6 s SER 22 Cb 0.00 -0.45 0.34 0.00 0.10 0.00 0.00 66.02 66.01 1kj6 s SER 22 CO 0.00 0.17 0.91 0.00 0.98 0.00 0.00 173.24 175.30 1kj6 s LEU 24 N -7.41 4.09 0.49 0.00 1.43 -1.26 -4.99 118.68 111.03 1kj6 s LEU 24 Ca 0.68 0.70 0.32 0.00 -1.03 0.00 0.00 54.13 54.79 1kj6 s LEU 24 Cb -0.19 -3.51 1.27 0.00 0.03 0.00 0.00 46.19 43.80 1kj6 s LEU 24 CO 0.61 -0.17 1.93 1.55 0.23 0.00 0.00 176.35 180.50 1kj6 h PRO 25 N 1.81 0.00 -0.58 1.29 0.13 -2.02 -2.73 132.00 129.89 1kj6 h PRO 25 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1kj6 h PRO 25 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1kj6 h PRO 25 CO 0.67 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.07 1kj6 n LYS 26 N -2.93 2.49 -3.73 0.86 4.76 -1.26 -4.90 118.16 113.45 1kj6 n LYS 26 Ca 0.01 -2.09 -0.14 0.00 -2.87 0.00 0.00 58.31 53.23 1kj6 n LYS 26 Cb 0.30 -1.51 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 1kj6 n LYS 26 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1kj6 s GLU 27 N -1.35 0.61 0.43 1.97 -1.05 -1.03 -2.50 118.70 115.77 1kj6 s GLU 27 Ca 0.38 0.19 0.01 0.00 -0.15 0.00 0.00 54.97 55.40 1kj6 s GLU 27 Cb 0.21 0.28 -0.01 0.00 -0.44 0.00 0.00 34.13 34.17 1kj6 s GLU 27 CO 0.25 -0.14 0.64 -1.83 0.95 0.00 0.00 175.26 175.12 1kj6 s GLU 28 N -0.61 3.14 -0.00 -4.83 -1.05 -0.98 -4.35 118.70 110.01 1kj6 s GLU 28 Ca -0.07 -0.50 -0.18 0.00 -0.15 0.00 0.00 54.97 54.07 1kj6 s GLU 28 Cb -0.04 -2.59 -0.06 0.00 -0.44 0.00 0.00 34.13 31.00 1kj6 s GLU 28 CO 0.03 -0.18 0.51 -1.14 0.95 0.00 0.00 175.26 175.44 1kj6 s GLN 29 N -4.49 4.18 0.00 -4.83 -0.44 -1.25 -0.29 119.66 112.54 1kj6 s GLN 29 Ca 0.47 0.59 0.00 0.00 -2.50 0.00 0.00 55.36 53.92 1kj6 s GLN 29 Cb -0.10 -3.30 0.00 0.00 -1.64 0.00 0.00 33.01 27.97 1kj6 s GLN 29 CO 0.37 0.49 0.00 0.44 0.50 0.00 0.00 175.29 177.09 1kj6 n ILE 30 N 2.38 0.00 -3.02 -2.34 -5.35 -0.01 -4.97 119.36 106.06 1kj6 n ILE 30 Ca -0.10 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1kj6 n ILE 30 Cb 0.51 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 1kj6 n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kj6 n GLY 31 N 2.19 1.79 3.32 3.28 0.00 -1.25 -4.75 105.19 109.77 1kj6 n GLY 31 Ca 0.00 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 1kj6 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kj6 s LYS 32 N -1.31 3.18 0.30 1.61 -0.14 -1.26 -1.13 119.74 120.99 1kj6 s LYS 32 Ca 0.00 -0.78 0.10 0.00 -1.36 0.00 0.00 55.97 53.93 1kj6 s LYS 32 Cb 0.00 -3.19 0.47 0.00 -1.68 0.00 0.00 37.83 33.43 1kj6 s LYS 32 CO 0.00 -0.34 1.68 0.00 -0.76 0.00 0.00 175.35 175.93 1kj6 s SER 34 N -6.88 -0.40 -0.01 0.00 1.04 -1.25 -4.91 113.70 101.29 1kj6 s SER 34 Ca -0.02 0.27 0.07 0.00 0.48 0.00 0.00 55.95 56.74 1kj6 s SER 34 Cb 0.13 0.37 0.22 0.00 0.10 0.00 0.00 66.02 66.83 1kj6 s SER 34 CO 0.76 -0.49 1.13 0.35 0.98 0.00 0.00 173.24 175.96 1kj6 n THR 35 N 0.34 0.41 0.44 2.02 -2.24 -1.26 -2.96 114.28 111.03 1kj6 n THR 35 Ca -0.11 -0.34 0.11 0.00 -2.27 0.00 0.00 64.05 61.45 1kj6 n THR 35 Cb 0.59 0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 1kj6 n THR 35 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1kj6 n ARG 36 N 0.19 0.37 0.00 -0.78 1.74 -1.26 -4.93 116.66 111.99 1kj6 n ARG 36 Ca 0.08 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1kj6 n ARG 36 Cb 0.26 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1kj6 n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kj6 n GLY 37 N 1.36 0.28 3.40 -0.13 0.00 -1.22 -5.13 105.19 103.75 1kj6 n GLY 37 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1kj6 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kj6 s ARG 38 N 0.00 1.51 0.20 1.61 0.52 -1.16 -3.90 118.95 117.73 1kj6 s ARG 38 Ca 0.00 -1.79 -0.12 0.00 -0.52 0.00 0.00 55.73 53.30 1kj6 s ARG 38 Cb 0.00 -0.82 -0.00 0.00 0.52 0.00 0.00 34.95 34.64 1kj6 s ARG 38 CO 0.00 -0.10 0.39 0.15 0.02 0.00 0.00 175.30 175.76 1kj6 s LYS 39 N -3.85 1.34 -0.22 3.54 3.01 -1.26 -3.36 119.74 118.94 1kj6 s LYS 39 Ca 0.32 -1.15 -0.07 0.00 -1.01 0.00 0.00 55.97 54.06 1kj6 s LYS 39 Cb 0.06 0.44 -0.03 0.00 -1.01 0.00 0.00 37.83 37.29 1kj6 s LYS 39 CO 0.12 -0.53 0.06 0.00 0.51 0.00 0.00 175.35 175.51 1kj6 s ARG 42 N -1.43 1.90 0.16 0.00 3.00 0.60 -1.40 118.95 121.78 1kj6 s ARG 42 Ca 0.17 -0.75 -0.34 0.00 -1.00 0.00 0.00 55.73 53.81 1kj6 s ARG 42 Cb -0.11 -2.30 -0.14 0.00 0.00 0.00 0.00 34.95 32.40 1kj6 s ARG 42 CO 0.07 -0.42 1.51 -2.13 0.00 0.00 0.00 175.30 174.34 1kj6 n ARG 43 N 4.74 1.96 -0.55 5.12 0.63 -1.26 -2.31 116.66 124.98 1kj6 n ARG 43 Ca -0.14 0.71 -0.30 0.00 -0.92 0.00 0.00 57.85 57.20 1kj6 n ARG 43 Cb 0.47 -2.44 0.23 0.00 0.45 0.00 0.00 32.46 31.17 1kj6 n ARG 43 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1kj6 n LYS 44 N 3.10 -2.00 0.00 -0.14 5.02 -1.04 -4.95 118.16 118.15 1kj6 n LYS 44 Ca 0.17 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 1kj6 n LYS 44 Cb 0.27 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1kj6 n LYS 44 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24