#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 0.00 0.21 -0.61 1.10 -1.26 -5.15 121.20 115.49 1kj6 s ILE 2 Ca 0.00 -0.74 -0.30 0.00 -0.51 0.00 0.00 60.65 59.10 1kj6 s ILE 2 Cb 0.00 -2.16 -0.09 0.00 0.15 0.00 0.00 42.46 40.36 1kj6 s ILE 2 CO 0.00 0.00 1.26 -0.63 -2.11 0.00 0.00 174.94 173.46 1kj6 s ILE 3 N -3.20 3.33 0.33 2.00 1.09 -1.26 -4.92 121.20 118.56 1kj6 s ILE 3 Ca 0.13 1.12 0.03 0.00 -1.10 0.00 0.00 60.65 60.83 1kj6 s ILE 3 Cb -0.03 -3.72 0.19 0.00 -1.06 0.00 0.00 42.46 37.84 1kj6 s ILE 3 CO 0.04 0.18 1.91 0.78 -0.10 0.00 0.00 174.94 177.75 1kj6 h ASN 4 N 5.12 0.61 -0.72 3.58 4.21 -2.07 -3.44 115.58 122.87 1kj6 h ASN 4 Ca -0.45 -0.08 -0.51 0.00 1.21 0.00 0.00 56.30 56.47 1kj6 h ASN 4 Cb 1.21 -0.16 0.01 0.00 -1.12 0.00 0.00 38.32 38.27 1kj6 h ASN 4 CO 0.75 0.59 -0.14 0.42 -1.29 0.00 0.00 177.43 177.76 1kj6 s THR 5 N -5.23 2.02 -0.42 2.81 -4.23 -1.26 -5.04 115.64 104.28 1kj6 s THR 5 Ca -0.09 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1kj6 s THR 5 Cb 0.16 -2.12 0.47 0.00 1.34 0.00 0.00 72.50 72.35 1kj6 s THR 5 CO 0.77 0.00 1.54 0.00 -0.54 0.00 0.00 174.62 176.39 1kj6 n LEU 6 N -2.16 5.77 0.00 4.79 -0.00 -1.26 -4.69 117.00 119.45 1kj6 n LEU 6 Ca 0.12 -4.41 0.04 0.00 -0.00 0.00 0.00 56.01 51.77 1kj6 n LEU 6 Cb 0.62 -0.62 0.24 0.00 -0.00 0.00 0.00 43.42 43.67 1kj6 n LEU 6 CO 0.40 1.73 0.52 0.00 -0.00 0.00 0.00 177.39 180.03 1kj6 n GLN 7 N -0.86 0.22 0.09 1.47 6.02 -1.26 0.34 117.38 123.40 1kj6 n GLN 7 Ca 0.49 0.08 0.13 0.00 -0.01 0.00 0.00 57.00 57.69 1kj6 n GLN 7 Cb 0.89 -1.50 0.39 0.00 1.02 0.00 0.00 30.24 31.05 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 -1.11 0.25 -0.25 -1.09 4.01 -1.26 -4.10 118.16 114.60 1kj6 n LYS 8 Ca 0.06 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 1kj6 n LYS 8 Cb 0.05 -1.77 0.00 0.00 -0.51 0.00 0.00 35.03 32.79 1kj6 n LYS 8 CO 0.00 0.00 0.00 2.48 -1.11 0.00 0.00 177.40 178.77 1kj6 n TYR 9 N -2.19 0.00 0.12 2.13 0.18 -0.52 -4.90 117.16 111.98 1kj6 n TYR 9 Ca 0.05 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.86 1kj6 n TYR 9 Cb 0.43 0.15 0.40 0.00 -0.38 0.00 0.00 39.34 39.93 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 0.00 0.25 -0.37 -3.48 5.03 -0.26 0.65 116.97 118.78 1kj6 h TYR 10 Ca 0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1kj6 h TYR 10 Cb 1.05 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.26 1kj6 h TYR 10 CO -0.10 0.35 0.00 0.00 -1.32 0.00 0.00 178.16 177.09 1kj6 n ARG 12 N 0.53 2.02 0.05 0.00 3.00 0.19 -2.79 116.66 119.66 1kj6 n ARG 12 Ca 0.15 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.85 57.94 1kj6 n ARG 12 Cb 0.58 -1.25 -0.08 0.00 0.00 0.00 0.00 32.46 31.71 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 0.00 1.07 0.00 5.15 -1.51 -1.54 -3.41 116.25 116.01 1kj6 h VAL 13 Ca -0.21 -2.70 0.00 0.00 -1.23 0.00 0.00 66.70 62.56 1kj6 h VAL 13 Cb 1.39 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 33.03 1kj6 h VAL 13 CO 0.01 0.61 -0.02 -2.11 -1.23 0.00 0.00 177.57 174.83 1kj6 n ARG 14 N -3.16 0.00 -2.43 5.19 1.85 -1.25 -5.13 116.66 111.74 1kj6 n ARG 14 Ca -0.05 -0.11 -0.37 0.00 -1.00 0.00 0.00 57.85 56.31 1kj6 n ARG 14 Cb 0.90 -0.09 -0.03 0.00 -1.05 0.00 0.00 32.46 32.19 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 -0.05 2.74 0.00 2.89 0.00 -1.12 -4.88 107.32 106.90 1kj6 s GLY 15 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.51 1kj6 s GLY 15 CO 0.00 1.23 0.00 0.61 0.00 0.00 0.00 173.10 174.94 1kj6 n GLY 16 N 0.36 -0.37 0.52 0.20 0.00 -1.26 -4.76 105.19 99.87 1kj6 n GLY 16 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1kj6 n GLY 16 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1kj6 n ARG 17 N -1.92 0.61 -4.29 1.61 1.85 -0.11 -4.97 116.66 109.45 1kj6 n ARG 17 Ca 0.00 -0.53 -0.18 0.00 -1.00 0.00 0.00 57.85 56.14 1kj6 n ARG 17 Cb 0.00 0.34 -0.14 0.00 -1.05 0.00 0.00 32.46 31.61 1kj6 n ARG 17 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kj6 s ALA 19 N -0.64 4.18 -0.11 0.00 0.00 -1.02 -4.96 121.76 119.22 1kj6 s ALA 19 Ca 0.00 -1.63 -0.20 0.00 0.00 0.00 0.00 51.96 50.13 1kj6 s ALA 19 Cb -0.06 -1.44 -0.27 0.00 0.00 0.00 0.00 23.12 21.35 1kj6 s ALA 19 CO 0.00 -0.11 0.64 0.28 0.00 0.00 0.00 175.76 176.57 1kj6 h VAL 20 N 0.94 1.27 0.00 0.00 2.07 -1.91 -3.36 116.25 115.26 1kj6 h VAL 20 Ca -0.43 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 64.69 1kj6 h VAL 20 Cb 1.26 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1kj6 h VAL 20 CO 0.53 0.64 0.00 -0.11 0.02 0.00 0.00 177.57 178.65 1kj6 n LEU 21 N -4.16 0.62 -4.41 2.57 0.00 -1.23 -4.14 117.00 106.25 1kj6 n LEU 21 Ca -0.20 0.26 -0.26 0.00 0.00 0.00 0.00 56.01 55.81 1kj6 n LEU 21 Cb 0.78 -0.06 -0.11 0.00 0.00 0.00 0.00 43.42 44.02 1kj6 n LEU 21 CO 0.39 -0.76 -0.52 -0.44 0.00 0.00 0.00 177.39 176.06 1kj6 s SER 22 N -5.59 3.32 1.06 1.96 0.01 -1.26 -4.37 113.70 108.83 1kj6 s SER 22 Ca 0.00 -0.88 -0.16 0.00 1.31 0.00 0.00 55.95 56.22 1kj6 s SER 22 Cb 0.00 -0.24 0.09 0.00 0.21 0.00 0.00 66.02 66.08 1kj6 s SER 22 CO 0.00 0.09 0.23 0.00 0.41 0.00 0.00 173.24 173.96 1kj6 s LEU 24 N -1.68 4.22 0.00 0.00 2.01 -1.26 -4.95 118.68 117.02 1kj6 s LEU 24 Ca 0.57 0.94 0.00 0.00 0.01 0.00 0.00 54.13 55.65 1kj6 s LEU 24 Cb -0.16 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.51 1kj6 s LEU 24 CO 0.66 -0.01 0.33 -2.65 1.01 0.00 0.00 176.35 175.69 1kj6 n PRO 25 N 0.15 0.53 -0.49 1.29 -0.02 -1.26 -2.28 135.00 132.92 1kj6 n PRO 25 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1kj6 n PRO 25 Cb 0.52 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 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 0.36 0.00 -3.65 -0.52 5.02 -1.26 -5.11 118.16 113.00 1kj6 n LYS 26 Ca 0.00 -0.79 -0.10 0.00 -2.02 0.00 0.00 58.31 55.40 1kj6 n LYS 26 Cb 0.16 -0.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.73 1kj6 n LYS 26 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1kj6 s GLU 27 N 0.00 1.06 0.15 1.97 -1.05 -0.97 -2.43 118.70 117.43 1kj6 s GLU 27 Ca 0.00 -0.73 0.05 0.00 -0.15 0.00 0.00 54.97 54.14 1kj6 s GLU 27 Cb 0.00 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 1kj6 s GLU 27 CO 0.00 -0.41 0.10 -1.83 0.95 0.00 0.00 175.26 174.07 1kj6 s GLU 28 N -3.81 2.82 0.05 -4.83 -1.05 -0.82 -4.61 118.70 106.45 1kj6 s GLU 28 Ca 0.03 -0.87 -0.20 0.00 -0.15 0.00 0.00 54.97 53.78 1kj6 s GLU 28 Cb 0.02 -2.62 -0.06 0.00 -0.44 0.00 0.00 34.13 31.03 1kj6 s GLU 28 CO -0.12 0.50 0.60 -1.14 0.95 0.00 0.00 175.26 176.05 1kj6 s GLN 29 N -2.92 4.28 0.00 -4.83 0.74 -1.25 -0.96 119.66 114.72 1kj6 s GLN 29 Ca 0.30 0.77 0.00 0.00 0.05 0.00 0.00 55.36 56.48 1kj6 s GLN 29 Cb -0.10 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.72 1kj6 s GLN 29 CO 0.22 0.53 0.00 0.44 -0.55 0.00 0.00 175.29 175.93 1kj6 n ILE 30 N 2.11 0.00 -2.35 -2.34 -0.00 0.24 -4.99 119.36 112.04 1kj6 n ILE 30 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 1kj6 n ILE 30 Cb 0.51 0.15 0.00 0.00 -0.00 0.00 0.00 39.64 40.30 1kj6 n ILE 30 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1kj6 n GLY 31 N 2.12 2.52 2.94 3.28 0.00 -1.24 -4.78 105.19 110.04 1kj6 n GLY 31 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 0.33 1.59 0.62 1.61 -0.14 -1.26 -1.29 119.74 121.19 1kj6 s LYS 32 Ca 0.00 -1.10 0.36 0.00 -1.36 0.00 0.00 55.97 53.87 1kj6 s LYS 32 Cb 0.00 -2.63 2.06 0.00 -1.68 0.00 0.00 37.83 35.58 1kj6 s LYS 32 CO 0.00 -0.65 2.30 0.00 -0.76 0.00 0.00 175.35 176.23 1kj6 s SER 34 N -5.74 0.33 0.25 0.00 1.04 -1.25 -4.94 113.70 103.39 1kj6 s SER 34 Ca -0.05 -1.26 -0.06 0.00 0.48 0.00 0.00 55.95 55.06 1kj6 s SER 34 Cb 0.14 0.31 0.26 0.00 0.10 0.00 0.00 66.02 66.83 1kj6 s SER 34 CO 0.49 -0.75 1.92 0.71 0.98 0.00 0.00 173.24 176.59 1kj6 h THR 35 N 2.78 1.24 -0.64 2.02 1.35 -1.89 -3.43 112.91 114.35 1kj6 h THR 35 Ca -0.35 -0.45 0.14 0.00 -0.55 0.00 0.00 66.41 65.19 1kj6 h THR 35 Cb 1.21 -0.20 -0.20 0.00 -1.73 0.00 0.00 68.15 67.23 1kj6 h THR 35 CO 0.58 0.24 -0.15 -0.60 -0.25 0.00 0.00 175.52 175.34 1kj6 s ARG 36 N -6.12 0.36 0.00 4.72 3.52 -1.26 -4.99 118.95 115.19 1kj6 s ARG 36 Ca -0.13 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 1kj6 s ARG 36 Cb 0.18 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 1kj6 s ARG 36 CO 0.82 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 175.14 1kj6 n GLY 37 N 5.33 2.04 3.59 8.12 0.00 -1.26 -5.14 105.19 117.87 1kj6 n GLY 37 Ca 0.03 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 1.92 0.28 1.61 0.52 -1.26 -3.52 118.95 118.50 1kj6 s ARG 38 Ca 0.00 -2.12 -0.10 0.00 -0.52 0.00 0.00 55.73 52.99 1kj6 s ARG 38 Cb 0.00 -1.27 0.00 0.00 0.52 0.00 0.00 34.95 34.20 1kj6 s ARG 38 CO 0.00 -0.20 0.49 0.15 0.02 0.00 0.00 175.30 175.75 1kj6 s LYS 39 N -3.80 1.69 -0.31 3.54 3.01 -1.26 -3.91 119.74 118.70 1kj6 s LYS 39 Ca 0.28 -1.42 -0.05 0.00 -1.01 0.00 0.00 55.97 53.76 1kj6 s LYS 39 Cb 0.07 0.47 0.03 0.00 -1.01 0.00 0.00 37.83 37.39 1kj6 s LYS 39 CO 0.14 -0.71 0.06 0.00 0.51 0.00 0.00 175.35 175.35 1kj6 s ARG 42 N 0.21 3.52 0.23 0.00 1.04 -0.13 -0.93 118.95 122.89 1kj6 s ARG 42 Ca -0.14 -0.61 -0.31 0.00 -1.04 0.00 0.00 55.73 53.63 1kj6 s ARG 42 Cb -0.17 -2.77 -0.14 0.00 -2.04 0.00 0.00 34.95 29.83 1kj6 s ARG 42 CO 0.07 0.22 1.19 -2.13 -0.04 0.00 0.00 175.30 174.62 1kj6 n ARG 43 N 3.54 1.49 -4.98 3.89 0.63 -1.26 -1.94 116.66 118.02 1kj6 n ARG 43 Ca -0.18 0.53 -0.32 0.00 -0.92 0.00 0.00 57.85 56.96 1kj6 n ARG 43 Cb 0.53 -2.04 -0.15 0.00 0.45 0.00 0.00 32.46 31.25 1kj6 n ARG 43 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1kj6 s LYS 44 N -0.77 2.95 0.00 -0.14 0.00 -1.02 -4.88 119.74 115.88 1kj6 s LYS 44 Ca 0.67 -0.77 0.26 0.00 0.00 0.00 0.00 55.97 56.13 1kj6 s LYS 44 Cb -0.74 -2.42 1.53 0.00 0.00 0.00 0.00 37.83 36.20 1kj6 s LYS 44 CO 0.54 0.33 1.89 0.36 0.00 0.00 0.00 175.35 178.47