#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kj6 n ILE 2 N 0.00 1.02 -3.21 -0.61 5.41 -1.26 -5.00 119.36 115.72 1kj6 n ILE 2 Ca 0.00 -4.57 -0.01 0.00 1.00 0.00 0.00 62.75 59.17 1kj6 n ILE 2 Cb 0.00 -2.05 -0.02 0.00 -0.71 0.00 0.00 39.64 36.86 1kj6 n ILE 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1kj6 s ILE 3 N -1.28 -0.86 -0.68 1.39 2.07 -1.26 -5.04 121.20 115.53 1kj6 s ILE 3 Ca 0.29 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.43 1kj6 s ILE 3 Cb 0.01 -0.98 0.37 0.00 0.13 0.00 0.00 42.46 42.00 1kj6 s ILE 3 CO -0.15 -0.11 1.56 0.59 -1.91 0.00 0.00 174.94 174.92 1kj6 n ASN 4 N 5.37 6.16 0.00 4.50 4.13 -1.26 -4.46 115.26 129.70 1kj6 n ASN 4 Ca 0.04 -3.77 0.00 0.00 1.68 0.00 0.00 54.58 52.53 1kj6 n ASN 4 Cb 0.52 -0.80 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 1kj6 n ASN 4 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1kj6 n THR 5 N -0.45 0.00 -0.71 3.41 5.66 -1.26 -4.74 114.28 116.18 1kj6 n THR 5 Ca 0.46 -0.23 -0.15 0.00 -3.05 0.00 0.00 64.05 61.08 1kj6 n THR 5 Cb 0.42 0.78 0.04 0.00 -1.55 0.00 0.00 70.33 70.02 1kj6 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kj6 n LEU 6 N -0.83 6.09 0.00 1.09 -0.00 -1.26 -4.46 117.00 117.63 1kj6 n LEU 6 Ca 0.00 -3.10 0.05 0.00 -0.00 0.00 0.00 56.01 52.95 1kj6 n LEU 6 Cb 0.00 -0.99 0.28 0.00 -0.00 0.00 0.00 43.42 42.71 1kj6 n LEU 6 CO 0.00 1.13 0.52 0.00 -0.00 0.00 0.00 177.39 179.04 1kj6 n GLN 7 N 0.30 0.29 0.12 1.47 6.02 -1.26 -0.70 117.38 123.61 1kj6 n GLN 7 Ca 0.28 0.02 0.02 0.00 -0.01 0.00 0.00 57.00 57.31 1kj6 n GLN 7 Cb 0.65 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.42 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 -0.09 -1.09 6.56 -1.92 -3.31 116.57 116.72 1kj6 h LYS 8 Ca 0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 1kj6 h LYS 8 Cb 0.01 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 31.41 1kj6 h LYS 8 CO 0.00 0.44 -0.65 2.48 -2.06 0.00 0.00 179.45 179.66 1kj6 n TYR 9 N -3.15 -0.24 0.27 -1.35 0.18 -0.55 -4.90 117.16 107.43 1kj6 n TYR 9 Ca -0.00 -1.16 0.16 0.00 1.88 0.00 0.00 57.90 58.78 1kj6 n TYR 9 Cb 0.75 0.44 0.60 0.00 -0.38 0.00 0.00 39.34 40.76 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 1.07 0.00 -0.04 -3.48 5.03 -1.10 -2.09 116.97 116.36 1kj6 h TYR 10 Ca -0.36 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.95 1kj6 h TYR 10 Cb 1.47 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.75 1kj6 h TYR 10 CO 0.08 0.00 0.00 0.00 -1.32 0.00 0.00 178.16 176.92 1kj6 n ARG 12 N 0.43 1.59 -0.12 0.00 1.74 -0.80 -3.45 116.66 116.05 1kj6 n ARG 12 Ca 0.18 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 57.06 1kj6 n ARG 12 Cb 0.40 -1.25 -0.12 0.00 -1.02 0.00 0.00 32.46 30.47 1kj6 n ARG 12 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1kj6 n VAL 13 N -1.57 1.41 -1.96 1.55 0.24 -1.15 -4.83 118.33 112.01 1kj6 n VAL 13 Ca 0.01 -0.62 -0.05 0.00 -2.04 0.00 0.00 64.34 61.64 1kj6 n VAL 13 Cb 0.28 -1.16 -0.04 0.00 -1.47 0.00 0.00 33.84 31.45 1kj6 n VAL 13 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1kj6 n ARG 14 N -3.10 0.10 -2.34 7.34 1.85 -1.19 -5.13 116.66 114.19 1kj6 n ARG 14 Ca -0.41 -0.80 -0.42 0.00 -1.00 0.00 0.00 57.85 55.22 1kj6 n ARG 14 Cb 1.01 0.48 -0.03 0.00 -1.05 0.00 0.00 32.46 32.87 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 -0.79 2.43 0.00 2.89 0.00 -1.07 -4.93 107.32 105.84 1kj6 s GLY 15 Ca 0.01 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1kj6 s GLY 15 CO -0.01 2.03 0.00 0.61 0.00 0.00 0.00 173.10 175.73 1kj6 n GLY 16 N 2.81 1.10 1.85 0.20 0.00 -1.26 -4.90 105.19 104.99 1kj6 n GLY 16 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.24 -4.34 1.61 1.85 -0.27 -5.00 116.66 111.75 1kj6 n ARG 17 Ca 0.00 -1.89 -0.19 0.00 -1.00 0.00 0.00 57.85 54.78 1kj6 n ARG 17 Cb 0.00 0.60 -0.14 0.00 -1.05 0.00 0.00 32.46 31.87 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 -0.51 3.95 0.01 0.00 0.00 -0.78 -4.94 121.76 119.49 1kj6 s ALA 19 Ca 0.02 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 1kj6 s ALA 19 Cb -0.05 -1.76 -0.29 0.00 0.00 0.00 0.00 23.12 21.01 1kj6 s ALA 19 CO 0.00 0.58 0.91 0.28 0.00 0.00 0.00 175.76 177.53 1kj6 h VAL 20 N 1.72 1.21 0.00 0.00 2.07 -1.95 -3.32 116.25 115.98 1kj6 h VAL 20 Ca -0.48 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.23 1kj6 h VAL 20 Cb 1.19 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 1kj6 h VAL 20 CO 0.69 0.84 0.00 0.00 0.02 0.00 0.00 177.57 179.12 1kj6 n LEU 21 N -3.51 0.29 -4.31 2.57 -0.00 -1.26 -4.59 117.00 106.18 1kj6 n LEU 21 Ca -0.16 0.25 -0.27 0.00 -0.00 0.00 0.00 56.01 55.84 1kj6 n LEU 21 Cb 1.05 0.06 -0.13 0.00 -0.00 0.00 0.00 43.42 44.40 1kj6 n LEU 21 CO 0.52 -0.71 -0.54 -0.94 -0.00 0.00 0.00 177.39 175.73 1kj6 s SER 22 N -5.18 2.83 1.18 1.45 1.04 -1.26 -4.75 113.70 109.00 1kj6 s SER 22 Ca 0.00 -0.65 -0.17 0.00 0.48 0.00 0.00 55.95 55.61 1kj6 s SER 22 Cb 0.00 -0.20 0.21 0.00 0.10 0.00 0.00 66.02 66.13 1kj6 s SER 22 CO 0.00 0.15 0.45 0.00 0.98 0.00 0.00 173.24 174.81 1kj6 s LEU 24 N -3.86 4.28 0.00 0.00 2.01 -1.26 -4.95 118.68 114.89 1kj6 s LEU 24 Ca 0.60 1.06 0.00 0.00 0.01 0.00 0.00 54.13 55.80 1kj6 s LEU 24 Cb -0.16 -3.43 0.00 0.00 0.01 0.00 0.00 46.19 42.61 1kj6 s LEU 24 CO 0.63 0.04 0.43 -2.65 1.01 0.00 0.00 176.35 175.81 1kj6 n PRO 25 N 0.50 0.57 0.00 1.29 -0.02 -1.26 -2.08 135.00 134.00 1kj6 n PRO 25 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1kj6 n PRO 25 Cb 0.52 -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 0.48 0.00 -3.78 -0.52 4.76 -1.26 -5.10 118.16 112.74 1kj6 n LYS 26 Ca 0.00 -0.35 -0.13 0.00 -2.87 0.00 0.00 58.31 54.97 1kj6 n LYS 26 Cb 0.22 -0.38 -0.11 0.00 -1.84 0.00 0.00 35.03 32.92 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 0.39 0.41 1.97 1.03 -0.88 -2.35 118.70 119.26 1kj6 s GLU 27 Ca 0.00 0.23 -0.04 0.00 0.03 0.00 0.00 54.97 55.18 1kj6 s GLU 27 Cb 0.00 0.18 -0.04 0.00 -0.80 0.00 0.00 34.13 33.47 1kj6 s GLU 27 CO 0.00 -0.07 0.69 -2.00 -1.33 0.00 0.00 175.26 172.55 1kj6 s GLU 28 N -0.21 3.58 0.05 -4.83 2.56 -0.65 -4.36 118.70 114.82 1kj6 s GLU 28 Ca -0.03 0.08 -0.20 0.00 0.00 0.00 0.00 54.97 54.81 1kj6 s GLU 28 Cb -0.03 -2.49 -0.06 0.00 2.00 0.00 0.00 34.13 33.55 1kj6 s GLU 28 CO 0.01 -0.03 0.60 -1.14 -0.56 0.00 0.00 175.26 174.14 1kj6 s GLN 29 N -4.31 4.27 -0.02 4.30 -0.44 -1.25 -0.58 119.66 121.63 1kj6 s GLN 29 Ca 0.45 0.77 0.03 0.00 -2.50 0.00 0.00 55.36 54.11 1kj6 s GLN 29 Cb -0.10 -3.28 -0.04 0.00 -1.64 0.00 0.00 33.01 27.95 1kj6 s GLN 29 CO 0.38 0.52 0.03 0.44 0.50 0.00 0.00 175.29 177.17 1kj6 n ILE 30 N 2.12 0.10 -3.82 -2.34 -5.35 -0.37 -4.98 119.36 104.72 1kj6 n ILE 30 Ca -0.09 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1kj6 n ILE 30 Cb 0.51 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 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 2.62 0.65 3.48 3.28 0.00 -1.26 -4.57 105.19 109.40 1kj6 n GLY 31 Ca -0.03 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 3.14 0.28 1.61 1.02 -1.25 0.29 119.74 122.84 1kj6 s LYS 32 Ca 0.05 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1kj6 s LYS 32 Cb -0.00 -3.92 0.45 0.00 -0.52 0.00 0.00 37.83 33.84 1kj6 s LYS 32 CO 0.00 -0.65 1.91 0.00 -0.92 0.00 0.00 175.35 175.69 1kj6 n SER 34 N -4.47 1.16 -0.04 0.00 2.88 -1.26 -5.03 113.62 106.86 1kj6 n SER 34 Ca 0.14 -0.38 -0.14 0.00 -1.33 0.00 0.00 58.87 57.16 1kj6 n SER 34 Cb 0.16 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.53 1kj6 n SER 34 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1kj6 h THR 35 N 0.22 1.40 -1.68 2.46 1.35 -1.94 -3.47 112.91 111.25 1kj6 h THR 35 Ca 0.00 -1.44 0.05 0.00 -0.55 0.00 0.00 66.41 64.47 1kj6 h THR 35 Cb 0.00 2.16 -0.25 0.00 -1.73 0.00 0.00 68.15 68.32 1kj6 h THR 35 CO 0.00 0.40 0.37 -0.13 -0.25 0.00 0.00 175.52 175.92 1kj6 s ARG 36 N -4.00 0.55 0.00 4.72 0.52 -1.26 -4.99 118.95 114.49 1kj6 s ARG 36 Ca -0.15 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 1kj6 s ARG 36 Cb 0.03 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.75 1kj6 s ARG 36 CO 0.74 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.39 1kj6 n GLY 37 N 2.59 3.20 3.48 -3.53 0.00 -1.26 -5.07 105.19 104.61 1kj6 n GLY 37 Ca -0.14 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 1kj6 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kj6 n ARG 38 N 0.00 0.43 -3.95 1.61 1.74 -1.26 -4.70 116.66 110.52 1kj6 n ARG 38 Ca 0.00 -2.68 -0.09 0.00 -0.77 0.00 0.00 57.85 54.31 1kj6 n ARG 38 Cb 0.00 -0.34 -0.03 0.00 -1.02 0.00 0.00 32.46 31.07 1kj6 n ARG 38 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1kj6 s LYS 39 N -4.50 1.79 -0.16 5.56 0.00 -1.25 -4.38 119.74 116.80 1kj6 s LYS 39 Ca 0.56 -1.32 0.00 0.00 0.00 0.00 0.00 55.97 55.21 1kj6 s LYS 39 Cb -0.04 0.53 -0.00 0.00 0.00 0.00 0.00 37.83 38.31 1kj6 s LYS 39 CO 0.36 -0.78 -0.15 0.00 0.00 0.00 0.00 175.35 174.78 1kj6 s ARG 42 N -0.14 2.63 0.09 0.00 1.04 0.25 -1.11 118.95 121.71 1kj6 s ARG 42 Ca -0.04 -0.73 -0.35 0.00 -1.04 0.00 0.00 55.73 53.56 1kj6 s ARG 42 Cb -0.14 -2.03 -0.18 0.00 -2.04 0.00 0.00 34.95 30.56 1kj6 s ARG 42 CO 0.04 0.13 0.96 0.54 -0.04 0.00 0.00 175.30 176.93 1kj6 n ARG 43 N 3.63 0.28 -1.24 3.89 1.74 -1.26 -1.64 116.66 122.06 1kj6 n ARG 43 Ca -0.20 0.10 -0.30 0.00 -0.77 0.00 0.00 57.85 56.68 1kj6 n ARG 43 Cb 0.53 -1.48 0.14 0.00 -1.02 0.00 0.00 32.46 30.62 1kj6 n ARG 43 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kj6 s LYS 44 N -0.29 1.21 0.00 5.56 3.01 -0.99 -4.80 119.74 123.44 1kj6 s LYS 44 Ca 0.81 0.75 0.12 0.00 -1.01 0.00 0.00 55.97 56.64 1kj6 s LYS 44 Cb -1.09 -1.81 0.74 0.00 -1.01 0.00 0.00 37.83 34.66 1kj6 s LYS 44 CO 0.55 -2.25 1.17 1.63 0.51 0.00 0.00 175.35 176.96