#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 1.93 -0.26 -0.61 2.07 -1.26 -5.11 121.20 117.96 1kj6 s ILE 2 Ca 0.00 -0.93 -0.02 0.00 -1.41 0.00 0.00 60.65 58.29 1kj6 s ILE 2 Cb 0.00 -1.68 0.03 0.00 0.13 0.00 0.00 42.46 40.94 1kj6 s ILE 2 CO 0.00 0.53 -0.04 -0.51 -1.91 0.00 0.00 174.94 173.01 1kj6 s ILE 3 N 0.51 2.99 -0.65 2.00 1.10 -1.26 -4.99 121.20 120.90 1kj6 s ILE 3 Ca -0.15 -1.08 0.01 0.00 -0.51 0.00 0.00 60.65 58.91 1kj6 s ILE 3 Cb -0.17 -2.57 0.40 0.00 0.15 0.00 0.00 42.46 40.27 1kj6 s ILE 3 CO 0.06 0.12 1.74 -3.20 -2.11 0.00 0.00 174.94 171.55 1kj6 n ASN 4 N 4.67 6.69 -3.89 4.50 5.15 -1.26 -4.96 115.26 126.17 1kj6 n ASN 4 Ca -0.16 -3.79 -0.11 0.00 -0.60 0.00 0.00 54.58 49.92 1kj6 n ASN 4 Cb 0.46 -0.83 -0.13 0.00 -0.53 0.00 0.00 39.78 38.75 1kj6 n ASN 4 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1kj6 s THR 5 N -5.05 0.03 -0.54 -0.44 -4.23 -1.26 -5.05 115.64 99.09 1kj6 s THR 5 Ca 0.54 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1kj6 s THR 5 Cb 0.45 -0.11 0.43 0.00 1.34 0.00 0.00 72.50 74.60 1kj6 s THR 5 CO -0.21 -0.12 1.61 0.00 -0.54 0.00 0.00 174.62 175.36 1kj6 n LEU 6 N 2.68 6.30 0.00 4.79 -0.00 -1.26 -4.71 117.00 124.80 1kj6 n LEU 6 Ca -0.15 -4.69 0.03 0.00 -0.00 0.00 0.00 56.01 51.20 1kj6 n LEU 6 Cb 0.59 -0.71 0.18 0.00 -0.00 0.00 0.00 43.42 43.48 1kj6 n LEU 6 CO 0.24 1.85 0.51 0.00 -0.00 0.00 0.00 177.39 179.99 1kj6 n GLN 7 N -0.71 0.12 0.10 1.47 6.02 -1.26 -1.31 117.38 121.80 1kj6 n GLN 7 Ca 0.51 0.17 0.13 0.00 -0.01 0.00 0.00 57.00 57.80 1kj6 n GLN 7 Cb 0.68 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.77 1kj6 n GLN 7 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1kj6 n LYS 8 N -1.22 0.28 -1.00 -1.09 4.76 -1.26 -2.47 118.16 116.15 1kj6 n LYS 8 Ca 0.04 0.18 -0.04 0.00 -2.87 0.00 0.00 58.31 55.62 1kj6 n LYS 8 Cb 0.05 -1.78 -0.04 0.00 -1.84 0.00 0.00 35.03 31.41 1kj6 n LYS 8 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 1kj6 n TYR 9 N -2.24 0.00 0.04 2.13 4.11 -0.53 -4.90 117.16 115.76 1kj6 n TYR 9 Ca 0.05 -0.42 -0.11 0.00 -0.00 0.00 0.00 57.90 57.43 1kj6 n TYR 9 Cb 0.44 0.34 0.02 0.00 -0.00 0.00 0.00 39.34 40.13 1kj6 n TYR 9 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1kj6 h TYR 10 N 0.17 0.63 -0.00 -3.48 5.03 -1.38 -2.62 116.97 115.32 1kj6 h TYR 10 Ca -0.42 -0.27 0.00 0.00 2.58 0.00 0.00 58.73 60.62 1kj6 h TYR 10 Cb 1.44 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.62 1kj6 h TYR 10 CO -0.13 1.03 -0.04 0.00 -1.32 0.00 0.00 178.16 177.70 1kj6 n ARG 12 N -1.07 0.64 0.03 0.00 3.00 -1.01 -1.40 116.66 116.85 1kj6 n ARG 12 Ca 0.16 0.27 -0.06 0.00 -0.00 0.00 0.00 57.85 58.22 1kj6 n ARG 12 Cb 0.23 -1.77 -0.12 0.00 0.00 0.00 0.00 32.46 30.81 1kj6 n ARG 12 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1kj6 h VAL 13 N 0.01 1.22 0.00 5.15 -1.51 -1.46 -3.42 116.25 116.22 1kj6 h VAL 13 Ca -0.31 -2.95 -0.16 0.00 -1.23 0.00 0.00 66.70 62.05 1kj6 h VAL 13 Cb 2.03 2.58 -0.12 0.00 -2.13 0.00 0.00 31.29 33.65 1kj6 h VAL 13 CO 0.08 0.69 -0.11 -2.11 -1.23 0.00 0.00 177.57 174.89 1kj6 n ARG 14 N -3.18 0.66 -2.97 5.19 1.85 -1.16 -5.13 116.66 111.92 1kj6 n ARG 14 Ca -0.07 -1.28 -0.41 0.00 -1.00 0.00 0.00 57.85 55.09 1kj6 n ARG 14 Cb 0.97 -0.19 -0.05 0.00 -1.05 0.00 0.00 32.46 32.14 1kj6 n ARG 14 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1kj6 s GLY 15 N -0.70 2.02 0.00 2.89 0.00 -0.49 -4.83 107.32 106.20 1kj6 s GLY 15 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1kj6 s GLY 15 CO -0.07 1.57 0.33 0.61 0.00 0.00 0.00 173.10 175.53 1kj6 n GLY 16 N 3.64 -2.21 3.25 0.20 0.00 -1.26 -4.95 105.19 103.85 1kj6 n GLY 16 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.65 1.07 -0.05 1.61 1.70 -0.76 -5.03 118.95 116.84 1kj6 s ARG 17 Ca 0.00 -1.46 0.06 0.00 -0.47 0.00 0.00 55.73 53.85 1kj6 s ARG 17 Cb 0.00 -0.60 -0.01 0.00 -0.57 0.00 0.00 34.95 33.77 1kj6 s ARG 17 CO 0.00 0.06 -0.22 0.00 -1.08 0.00 0.00 175.30 174.05 1kj6 s ALA 19 N -0.11 3.96 -0.03 0.00 0.00 -1.04 -4.99 121.76 119.56 1kj6 s ALA 19 Ca -0.03 -1.00 0.12 0.00 0.00 0.00 0.00 51.96 51.05 1kj6 s ALA 19 Cb -0.13 -1.80 -0.11 0.00 0.00 0.00 0.00 23.12 21.08 1kj6 s ALA 19 CO 0.03 0.56 1.17 0.28 0.00 0.00 0.00 175.76 177.80 1kj6 h VAL 20 N 1.67 1.12 0.00 0.00 2.07 -1.95 -3.36 116.25 115.80 1kj6 h VAL 20 Ca -0.48 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.34 1kj6 h VAL 20 Cb 1.19 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1kj6 h VAL 20 CO 0.69 0.64 0.00 0.18 0.02 0.00 0.00 177.57 179.10 1kj6 n LEU 21 N -3.19 0.00 -4.30 2.57 4.77 -1.26 -4.76 117.00 110.82 1kj6 n LEU 21 Ca -0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.78 1kj6 n LEU 21 Cb 0.87 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.86 1kj6 n LEU 21 CO 0.44 0.00 -0.36 -0.44 -1.33 0.00 0.00 177.39 175.70 1kj6 s SER 22 N 0.46 1.85 1.00 -1.43 0.01 -1.26 -4.64 113.70 109.69 1kj6 s SER 22 Ca 0.00 -1.14 -0.16 0.00 1.31 0.00 0.00 55.95 55.96 1kj6 s SER 22 Cb 0.00 -0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 1kj6 s SER 22 CO 0.00 -0.44 -0.11 0.00 0.41 0.00 0.00 173.24 173.10 1kj6 s LEU 24 N 1.73 4.12 0.00 0.00 2.01 -1.26 -4.94 118.68 120.34 1kj6 s LEU 24 Ca 0.51 1.10 0.00 0.00 0.01 0.00 0.00 54.13 55.75 1kj6 s LEU 24 Cb -0.16 -3.86 0.00 0.00 0.01 0.00 0.00 46.19 42.17 1kj6 s LEU 24 CO 0.71 -0.13 0.41 -2.65 1.01 0.00 0.00 176.35 175.69 1kj6 n PRO 25 N -0.22 0.56 -0.58 1.29 -0.02 -1.26 -2.29 135.00 132.48 1kj6 n PRO 25 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1kj6 n PRO 25 Cb 0.53 -1.25 -0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1kj6 n PRO 25 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1kj6 n LYS 26 N 0.44 0.00 -3.70 -0.52 4.76 -1.26 -5.12 118.16 112.76 1kj6 n LYS 26 Ca 0.00 -0.77 -0.10 0.00 -2.87 0.00 0.00 58.31 54.57 1kj6 n LYS 26 Cb 0.20 -0.29 -0.03 0.00 -1.84 0.00 0.00 35.03 33.07 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 0.00 1.43 0.28 1.97 -1.05 -0.97 -2.48 118.70 117.90 1kj6 s GLU 27 Ca 0.02 -0.81 0.08 0.00 -0.15 0.00 0.00 54.97 54.11 1kj6 s GLU 27 Cb 0.03 0.55 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 1kj6 s GLU 27 CO -0.01 -0.62 0.11 -1.83 0.95 0.00 0.00 175.26 173.86 1kj6 s GLU 28 N -3.86 2.53 0.14 -4.83 -1.05 -0.93 -4.58 118.70 106.12 1kj6 s GLU 28 Ca 0.08 -1.33 -0.19 0.00 -0.15 0.00 0.00 54.97 53.38 1kj6 s GLU 28 Cb -0.02 -2.31 -0.07 0.00 -0.44 0.00 0.00 34.13 31.29 1kj6 s GLU 28 CO -0.03 0.29 0.63 -1.14 0.95 0.00 0.00 175.26 175.96 1kj6 s GLN 29 N -3.79 4.21 -0.01 -4.83 -0.44 -1.26 -0.72 119.66 112.82 1kj6 s GLN 29 Ca 0.34 0.76 0.02 0.00 -2.50 0.00 0.00 55.36 53.98 1kj6 s GLN 29 Cb -0.06 -3.09 -0.02 0.00 -1.64 0.00 0.00 33.01 28.20 1kj6 s GLN 29 CO 0.23 0.54 0.03 0.44 0.50 0.00 0.00 175.29 177.02 1kj6 n ILE 30 N 1.26 0.03 -0.37 -2.34 -5.35 -0.24 -4.95 119.36 107.41 1kj6 n ILE 30 Ca -0.07 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1kj6 n ILE 30 Cb 0.51 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 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 2.55 -0.79 3.05 3.28 0.00 -1.25 -4.63 105.19 107.40 1kj6 n GLY 31 Ca -0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.02 2.35 0.00 1.61 1.02 -1.03 -1.30 119.74 122.36 1kj6 s LYS 32 Ca 0.00 -0.94 0.23 0.00 0.02 0.00 0.00 55.97 55.28 1kj6 s LYS 32 Cb 0.00 -2.55 1.05 0.00 -0.52 0.00 0.00 37.83 35.82 1kj6 s LYS 32 CO 0.00 -0.39 1.73 0.00 -0.92 0.00 0.00 175.35 175.77 1kj6 s SER 34 N -2.79 -0.01 0.00 0.00 0.15 -1.26 -5.01 113.70 104.78 1kj6 s SER 34 Ca 0.16 -1.06 0.05 0.00 0.70 0.00 0.00 55.95 55.80 1kj6 s SER 34 Cb 0.15 0.80 0.03 0.00 -1.71 0.00 0.00 66.02 65.29 1kj6 s SER 34 CO 0.38 -1.59 0.59 0.35 1.20 0.00 0.00 173.24 174.17 1kj6 n THR 35 N -0.54 0.00 1.63 6.45 -2.24 -1.26 -4.34 114.28 113.97 1kj6 n THR 35 Ca -0.08 -0.49 0.15 0.00 -2.27 0.00 0.00 64.05 61.37 1kj6 n THR 35 Cb 0.60 1.09 0.79 0.00 -2.10 0.00 0.00 70.33 70.70 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 0.09 0.73 0.00 -0.78 1.74 -1.26 -4.83 116.66 112.35 1kj6 n ARG 36 Ca 0.03 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1kj6 n ARG 36 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.18 0.92 3.62 -0.13 0.00 -1.26 -5.16 105.19 104.37 1kj6 n GLY 37 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 0.16 2.03 0.12 1.61 0.52 -1.26 -4.78 118.95 117.34 1kj6 s ARG 38 Ca 0.00 -2.25 -0.12 0.00 -0.52 0.00 0.00 55.73 52.84 1kj6 s ARG 38 Cb 0.00 -1.10 0.01 0.00 0.52 0.00 0.00 34.95 34.38 1kj6 s ARG 38 CO 0.00 -0.37 0.32 0.15 0.02 0.00 0.00 175.30 175.41 1kj6 s LYS 39 N -3.80 1.03 -0.15 3.54 3.01 -1.26 -4.36 119.74 117.75 1kj6 s LYS 39 Ca 0.18 -0.89 -0.04 0.00 -1.01 0.00 0.00 55.97 54.21 1kj6 s LYS 39 Cb 0.03 0.41 -0.03 0.00 -1.01 0.00 0.00 37.83 37.23 1kj6 s LYS 39 CO 0.10 -0.38 -0.02 0.00 0.51 0.00 0.00 175.35 175.56 1kj6 s ARG 42 N -1.07 1.75 0.02 0.00 1.04 0.10 -1.83 118.95 118.97 1kj6 s ARG 42 Ca 0.08 -0.38 -0.37 0.00 -1.04 0.00 0.00 55.73 54.02 1kj6 s ARG 42 Cb -0.09 -1.60 -0.19 0.00 -2.04 0.00 0.00 34.95 31.03 1kj6 s ARG 42 CO 0.01 -0.13 0.96 0.54 -0.04 0.00 0.00 175.30 176.65 1kj6 n ARG 43 N 4.40 0.00 -3.70 3.89 5.12 -1.26 -2.18 116.66 122.93 1kj6 n ARG 43 Ca -0.18 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.53 1kj6 n ARG 43 Cb 0.51 -1.38 -0.04 0.00 -1.16 0.00 0.00 32.46 30.39 1kj6 n ARG 43 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1kj6 s LYS 44 N -0.11 2.52 0.00 5.56 0.00 -1.03 -4.82 119.74 121.85 1kj6 s LYS 44 Ca 0.84 -1.53 0.00 0.00 0.00 0.00 0.00 55.97 55.28 1kj6 s LYS 44 Cb -1.18 -2.34 0.00 0.00 0.00 0.00 0.00 37.83 34.32 1kj6 s LYS 44 CO 0.55 -0.12 0.51 0.36 0.00 0.00 0.00 175.35 176.65