#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 4.58 0.65 -0.61 1.01 -1.26 -5.03 121.20 120.54 1kj6 s ILE 2 Ca 0.00 1.87 -0.12 0.00 0.00 0.00 0.00 60.65 62.40 1kj6 s ILE 2 Cb 0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 1kj6 s ILE 2 CO 0.00 -0.02 1.05 -0.51 0.00 0.00 0.00 174.94 175.46 1kj6 s ILE 3 N 2.25 4.18 0.10 2.92 1.10 -1.26 -5.01 121.20 125.48 1kj6 s ILE 3 Ca 0.51 0.78 0.00 0.00 -0.51 0.00 0.00 60.65 61.43 1kj6 s ILE 3 Cb -0.20 -3.52 0.00 0.00 0.15 0.00 0.00 42.46 38.88 1kj6 s ILE 3 CO 0.18 -0.85 0.00 -0.46 -2.11 0.00 0.00 174.94 171.70 1kj6 n ASN 4 N -2.75 0.16 -3.23 4.50 0.23 -1.26 -5.15 115.26 107.76 1kj6 n ASN 4 Ca 0.07 0.17 -0.16 0.00 -0.53 0.00 0.00 54.58 54.14 1kj6 n ASN 4 Cb 0.54 0.05 -0.03 0.00 -2.08 0.00 0.00 39.78 38.26 1kj6 n ASN 4 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1kj6 n THR 5 N -2.97 0.00 -2.14 5.53 -1.04 -1.26 -5.07 114.28 107.33 1kj6 n THR 5 Ca 0.00 -1.18 -0.25 0.00 -2.04 0.00 0.00 64.05 60.57 1kj6 n THR 5 Cb 0.00 0.26 0.02 0.00 -1.82 0.00 0.00 70.33 68.79 1kj6 n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kj6 n LEU 6 N 0.00 4.95 0.00 -4.42 -0.00 -1.26 -4.77 117.00 111.50 1kj6 n LEU 6 Ca -0.09 -4.88 0.05 0.00 -0.00 0.00 0.00 56.01 51.08 1kj6 n LEU 6 Cb 0.32 -0.40 0.26 0.00 -0.00 0.00 0.00 43.42 43.60 1kj6 n LEU 6 CO 0.17 2.13 0.56 0.00 -0.00 0.00 0.00 177.39 180.25 1kj6 n GLN 7 N -0.64 0.21 0.05 1.47 6.02 -1.26 -0.88 117.38 122.34 1kj6 n GLN 7 Ca 0.43 0.11 0.13 0.00 -0.01 0.00 0.00 57.00 57.66 1kj6 n GLN 7 Cb 0.86 -1.50 0.36 0.00 1.02 0.00 0.00 30.24 30.98 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 -1.16 0.15 -0.58 -1.09 4.76 -1.26 -4.25 118.16 114.73 1kj6 n LYS 8 Ca 0.06 0.08 -0.01 0.00 -2.87 0.00 0.00 58.31 55.57 1kj6 n LYS 8 Cb 0.06 -1.64 -0.01 0.00 -1.84 0.00 0.00 35.03 31.60 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 -1.88 0.00 0.01 2.13 0.18 -0.68 -4.92 117.16 111.99 1kj6 n TYR 9 Ca 0.05 -0.07 -0.11 0.00 1.88 0.00 0.00 57.90 59.65 1kj6 n TYR 9 Cb 0.39 0.21 -0.06 0.00 -0.38 0.00 0.00 39.34 39.50 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 0.03 0.05 -0.02 -3.48 5.03 -1.18 -0.58 116.97 116.81 1kj6 h TYR 10 Ca -0.07 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.25 1kj6 h TYR 10 Cb 1.15 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.42 1kj6 h TYR 10 CO -0.19 0.03 0.00 0.00 -1.32 0.00 0.00 178.16 176.68 1kj6 n ARG 12 N -0.64 0.68 0.10 0.00 0.63 -0.34 -4.01 116.66 113.09 1kj6 n ARG 12 Ca 0.17 0.21 -0.05 0.00 -0.92 0.00 0.00 57.85 57.26 1kj6 n ARG 12 Cb 0.13 -1.68 0.08 0.00 0.45 0.00 0.00 32.46 31.43 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 0.02 1.46 0.00 5.15 -1.51 -1.23 -3.46 116.25 116.68 1kj6 h VAL 13 Ca -0.42 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 62.75 1kj6 h VAL 13 Cb 2.05 2.23 0.00 0.00 -2.13 0.00 0.00 31.29 33.44 1kj6 h VAL 13 CO 0.05 0.67 0.00 -2.11 -1.23 0.00 0.00 177.57 174.95 1kj6 n ARG 14 N -3.76 0.00 0.00 5.19 1.85 -1.24 -5.14 116.66 113.56 1kj6 n ARG 14 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1kj6 n ARG 14 Cb 0.69 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.10 1kj6 n ARG 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1kj6 n GLY 15 N -1.46 2.92 0.00 2.89 0.00 -1.23 -4.94 105.19 103.36 1kj6 n GLY 15 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1kj6 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kj6 n GLY 16 N 0.00 -0.77 3.50 -0.02 0.00 -1.25 -4.89 105.19 101.75 1kj6 n GLY 16 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 1.07 1.82 -0.10 1.61 1.70 -0.66 -4.97 118.95 119.43 1kj6 s ARG 17 Ca 0.00 -1.22 -0.02 0.00 -0.47 0.00 0.00 55.73 54.03 1kj6 s ARG 17 Cb 0.00 -2.11 -0.03 0.00 -0.57 0.00 0.00 34.95 32.24 1kj6 s ARG 17 CO 0.00 0.47 -0.02 0.00 -1.08 0.00 0.00 175.30 174.67 1kj6 s ALA 19 N -0.57 3.90 0.05 0.00 0.00 -1.06 -5.00 121.76 119.07 1kj6 s ALA 19 Ca 0.09 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 1kj6 s ALA 19 Cb -0.12 -1.90 -0.26 0.00 0.00 0.00 0.00 23.12 20.84 1kj6 s ALA 19 CO 0.02 0.54 1.02 0.28 0.00 0.00 0.00 175.76 177.62 1kj6 h VAL 20 N 1.67 1.35 0.00 0.00 2.07 -1.94 -3.36 116.25 116.05 1kj6 h VAL 20 Ca -0.48 -3.00 0.00 0.00 0.82 0.00 0.00 66.70 64.04 1kj6 h VAL 20 Cb 1.19 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1kj6 h VAL 20 CO 0.69 0.85 0.00 0.18 0.02 0.00 0.00 177.57 179.31 1kj6 n LEU 21 N -3.43 0.42 -4.16 2.57 4.32 -1.26 -4.53 117.00 110.94 1kj6 n LEU 21 Ca -0.11 0.22 -0.20 0.00 -0.02 0.00 0.00 56.01 55.91 1kj6 n LEU 21 Cb 1.02 -0.01 -0.13 0.00 -1.62 0.00 0.00 43.42 42.68 1kj6 n LEU 21 CO 0.50 -0.71 -0.47 -0.94 -1.22 0.00 0.00 177.39 174.56 1kj6 s SER 22 N -5.32 1.71 1.23 -1.43 1.04 -1.26 -4.53 113.70 105.13 1kj6 s SER 22 Ca 0.00 -0.50 -0.17 0.00 0.48 0.00 0.00 55.95 55.76 1kj6 s SER 22 Cb 0.00 -0.10 0.26 0.00 0.10 0.00 0.00 66.02 66.28 1kj6 s SER 22 CO 0.00 0.01 0.61 0.00 0.98 0.00 0.00 173.24 174.85 1kj6 s LEU 24 N -4.84 4.32 0.28 0.00 2.01 -1.26 -4.97 118.68 114.22 1kj6 s LEU 24 Ca 0.60 0.94 0.23 0.00 0.01 0.00 0.00 54.13 55.91 1kj6 s LEU 24 Cb -0.16 -3.22 1.05 0.00 0.01 0.00 0.00 46.19 43.86 1kj6 s LEU 24 CO 0.59 0.10 1.69 -0.81 1.01 0.00 0.00 176.35 178.94 1kj6 n PRO 25 N 0.69 0.18 0.00 1.29 -0.04 -1.26 -1.65 135.00 134.21 1kj6 n PRO 25 Ca -0.05 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1kj6 n PRO 25 Cb 0.52 -1.90 0.30 0.00 -0.04 0.00 0.00 33.50 32.38 1kj6 n PRO 25 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kj6 n LYS 26 N -2.25 1.54 -4.02 0.54 5.02 -1.26 -4.90 118.16 112.83 1kj6 n LYS 26 Ca 0.01 -1.08 -0.12 0.00 -2.02 0.00 0.00 58.31 55.10 1kj6 n LYS 26 Cb 0.16 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.20 0.33 0.34 1.97 1.03 -0.66 -2.36 118.70 117.15 1kj6 s GLU 27 Ca 0.29 -0.45 -0.04 0.00 0.03 0.00 0.00 54.97 54.80 1kj6 s GLU 27 Cb 0.20 -0.13 -0.04 0.00 -0.80 0.00 0.00 34.13 33.35 1kj6 s GLU 27 CO 0.41 0.02 0.60 -2.00 -1.33 0.00 0.00 175.26 172.96 1kj6 s GLU 28 N -0.95 3.58 -0.02 -4.83 2.56 -0.54 -4.38 118.70 114.12 1kj6 s GLU 28 Ca -0.08 -0.04 -0.20 0.00 0.00 0.00 0.00 54.97 54.65 1kj6 s GLU 28 Cb -0.06 -2.60 -0.05 0.00 2.00 0.00 0.00 34.13 33.42 1kj6 s GLU 28 CO -0.00 0.12 0.59 -1.14 -0.56 0.00 0.00 175.26 174.27 1kj6 s GLN 29 N -3.95 4.33 -0.00 4.30 0.74 -1.25 -0.21 119.66 123.61 1kj6 s GLN 29 Ca 0.44 0.71 0.02 0.00 0.05 0.00 0.00 55.36 56.57 1kj6 s GLN 29 Cb -0.10 -3.36 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 1kj6 s GLN 29 CO 0.34 0.31 0.04 0.44 -0.55 0.00 0.00 175.29 175.87 1kj6 n ILE 30 N 2.95 0.00 -2.66 -2.34 -5.35 -0.42 -4.98 119.36 106.56 1kj6 n ILE 30 Ca -0.06 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1kj6 n ILE 30 Cb 0.51 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 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 2.33 1.82 3.05 3.28 0.00 -1.25 -4.71 105.19 109.70 1kj6 n GLY 31 Ca -0.00 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1kj6 n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kj6 s LYS 32 N 0.40 2.11 0.43 1.61 2.47 -1.26 -1.05 119.74 124.46 1kj6 s LYS 32 Ca 0.00 -2.31 0.25 0.00 -1.56 0.00 0.00 55.97 52.34 1kj6 s LYS 32 Cb 0.00 -3.50 1.26 0.00 -1.46 0.00 0.00 37.83 34.13 1kj6 s LYS 32 CO 0.00 -1.10 1.74 0.00 0.16 0.00 0.00 175.35 176.16 1kj6 n SER 34 N -4.55 1.59 0.00 0.00 7.64 -1.26 -5.00 113.62 112.05 1kj6 n SER 34 Ca 0.28 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1kj6 n SER 34 Cb 1.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 1kj6 n SER 34 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1kj6 n THR 35 N 0.00 0.00 -4.07 0.44 -2.24 -1.26 -4.86 114.28 102.30 1kj6 n THR 35 Ca 0.00 0.97 -0.18 0.00 -2.27 0.00 0.00 64.05 62.57 1kj6 n THR 35 Cb 0.00 -1.84 -0.16 0.00 -2.10 0.00 0.00 70.33 66.24 1kj6 n THR 35 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1kj6 s ARG 36 N -1.50 0.53 0.00 -0.78 1.81 -1.26 -4.89 118.95 112.86 1kj6 s ARG 36 Ca 0.00 -0.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.97 1kj6 s ARG 36 Cb 0.00 -0.60 0.00 0.00 -0.45 0.00 0.00 34.95 33.90 1kj6 s ARG 36 CO 0.00 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 174.96 1kj6 n GLY 37 N 3.88 2.96 3.93 -3.53 0.00 -1.26 -5.07 105.19 106.09 1kj6 n GLY 37 Ca -0.24 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 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 2.14 0.29 1.61 0.52 -1.26 -4.69 118.95 117.56 1kj6 s ARG 38 Ca 0.00 -0.20 -0.08 0.00 -0.52 0.00 0.00 55.73 54.92 1kj6 s ARG 38 Cb 0.00 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1kj6 s ARG 38 CO 0.00 -1.31 0.48 0.15 0.02 0.00 0.00 175.30 174.65 1kj6 s LYS 39 N -5.30 1.73 -0.19 3.54 3.01 -1.26 -4.34 119.74 116.93 1kj6 s LYS 39 Ca 0.61 -1.49 -0.05 0.00 -1.01 0.00 0.00 55.97 54.03 1kj6 s LYS 39 Cb -0.11 0.46 -0.03 0.00 -1.01 0.00 0.00 37.83 37.15 1kj6 s LYS 39 CO 0.45 -0.72 -0.00 0.00 0.51 0.00 0.00 175.35 175.59 1kj6 s ARG 42 N -1.19 1.66 0.04 0.00 3.00 0.70 -1.65 118.95 121.52 1kj6 s ARG 42 Ca 0.14 -0.33 -0.37 0.00 -1.00 0.00 0.00 55.73 54.17 1kj6 s ARG 42 Cb -0.11 -1.59 -0.16 0.00 0.00 0.00 0.00 34.95 33.08 1kj6 s ARG 42 CO 0.04 -0.18 1.40 -2.13 0.00 0.00 0.00 175.30 174.43 1kj6 n ARG 43 N 4.61 1.19 -0.74 5.12 0.63 -1.26 -1.47 116.66 124.74 1kj6 n ARG 43 Ca -0.16 0.43 -0.29 0.00 -0.92 0.00 0.00 57.85 56.91 1kj6 n ARG 43 Cb 0.50 -2.08 0.21 0.00 0.45 0.00 0.00 32.46 31.54 1kj6 n ARG 43 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1kj6 s LYS 44 N 0.90 -0.06 0.00 -0.14 1.02 -0.99 -4.87 119.74 115.59 1kj6 s LYS 44 Ca 0.86 0.96 0.09 0.00 0.02 0.00 0.00 55.97 57.91 1kj6 s LYS 44 Cb -0.96 -1.64 0.07 0.00 -0.52 0.00 0.00 37.83 34.78 1kj6 s LYS 44 CO 0.49 -3.18 0.80 0.36 -0.92 0.00 0.00 175.35 172.89