#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 5.17 -0.02 -0.61 2.07 -1.26 -5.08 121.20 121.47 1kj6 s ILE 2 Ca 0.00 0.70 -0.11 0.00 -1.41 0.00 0.00 60.65 59.82 1kj6 s ILE 2 Cb 0.00 -3.66 -0.05 0.00 0.13 0.00 0.00 42.46 38.88 1kj6 s ILE 2 CO 0.00 0.53 0.33 -0.51 -1.91 0.00 0.00 174.94 173.38 1kj6 s ILE 3 N -0.63 5.18 0.00 2.00 2.07 -1.26 -4.95 121.20 123.61 1kj6 s ILE 3 Ca 0.21 0.57 0.00 0.00 -1.41 0.00 0.00 60.65 60.03 1kj6 s ILE 3 Cb -0.15 -3.61 0.00 0.00 0.13 0.00 0.00 42.46 38.82 1kj6 s ILE 3 CO 0.10 0.53 0.01 0.59 -1.91 0.00 0.00 174.94 174.25 1kj6 n ASN 4 N 1.67 0.01 -4.82 4.50 5.03 -1.26 -5.08 115.26 115.31 1kj6 n ASN 4 Ca -0.14 -0.15 -0.37 0.00 0.87 0.00 0.00 54.58 54.79 1kj6 n ASN 4 Cb 0.53 0.16 -0.06 0.00 -1.02 0.00 0.00 39.78 39.39 1kj6 n ASN 4 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1kj6 s THR 5 N -0.16 4.69 -0.33 3.41 2.01 -1.26 -4.97 115.64 119.03 1kj6 s THR 5 Ca 0.00 1.14 0.11 0.00 0.31 0.00 0.00 61.69 63.25 1kj6 s THR 5 Cb 0.00 -3.85 0.37 0.00 0.01 0.00 0.00 72.50 69.03 1kj6 s THR 5 CO 0.00 0.33 1.42 0.00 -0.69 0.00 0.00 174.62 175.68 1kj6 n LEU 6 N 1.07 -1.47 0.00 4.42 -0.00 -1.26 -4.95 117.00 114.81 1kj6 n LEU 6 Ca -0.06 -3.09 0.04 0.00 -0.00 0.00 0.00 56.01 52.90 1kj6 n LEU 6 Cb 0.51 0.15 0.21 0.00 -0.00 0.00 0.00 43.42 44.29 1kj6 n LEU 6 CO 0.43 1.70 0.50 0.00 -0.00 0.00 0.00 177.39 180.02 1kj6 n GLN 7 N -1.19 0.17 0.11 1.47 6.02 -1.26 -0.44 117.38 122.27 1kj6 n GLN 7 Ca -0.13 0.11 0.13 0.00 -0.01 0.00 0.00 57.00 57.09 1kj6 n GLN 7 Cb 0.84 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.91 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 0.00 -1.09 6.56 -1.93 -3.27 116.57 116.84 1kj6 h LYS 8 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1kj6 h LYS 8 Cb 0.04 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.67 1kj6 h LYS 8 CO 0.00 0.00 -0.18 2.48 -2.06 0.00 0.00 179.45 179.69 1kj6 n TYR 9 N -2.38 0.00 0.17 -1.35 0.18 -0.52 -4.90 117.16 108.36 1kj6 n TYR 9 Ca 0.05 -0.07 0.05 0.00 1.88 0.00 0.00 57.90 59.81 1kj6 n TYR 9 Cb 0.45 0.19 0.51 0.00 -0.38 0.00 0.00 39.34 40.11 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 0.04 0.15 -0.00 -3.48 5.03 -0.92 0.20 116.97 117.98 1kj6 h TYR 10 Ca -0.07 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.24 1kj6 h TYR 10 Cb 1.16 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.40 1kj6 h TYR 10 CO -0.18 0.19 -0.56 0.00 -1.32 0.00 0.00 178.16 176.30 1kj6 n ARG 12 N -1.12 0.63 0.00 0.00 3.00 -0.11 -2.05 116.66 117.01 1kj6 n ARG 12 Ca 0.07 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.85 57.79 1kj6 n ARG 12 Cb 0.35 -1.68 -0.14 0.00 0.00 0.00 0.00 32.46 30.99 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 0.95 0.00 5.15 -1.51 -0.82 -3.44 116.25 116.59 1kj6 h VAL 13 Ca -0.01 -2.75 -0.04 0.00 -1.23 0.00 0.00 66.70 62.67 1kj6 h VAL 13 Cb 1.03 2.52 -0.04 0.00 -2.13 0.00 0.00 31.29 32.67 1kj6 h VAL 13 CO 0.00 0.64 -0.07 -2.11 -1.23 0.00 0.00 177.57 174.80 1kj6 n ARG 14 N -3.19 0.22 0.00 5.19 1.85 -1.24 -5.12 116.66 114.37 1kj6 n ARG 14 Ca -0.17 -0.29 0.00 0.00 -1.00 0.00 0.00 57.85 56.39 1kj6 n ARG 14 Cb 1.04 0.26 0.00 0.00 -1.05 0.00 0.00 32.46 32.71 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 -0.25 -1.55 0.00 2.89 0.00 -0.87 -4.94 105.19 100.47 1kj6 n GLY 15 Ca -0.06 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 2.07 0.73 3.85 -0.02 0.00 -1.26 -5.02 105.19 105.54 1kj6 n GLY 16 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 0.78 2.31 -0.01 1.61 1.70 -0.94 -4.99 118.95 119.41 1kj6 s ARG 17 Ca 0.00 -1.87 0.04 0.00 -0.47 0.00 0.00 55.73 53.43 1kj6 s ARG 17 Cb 0.00 -2.12 -0.01 0.00 -0.57 0.00 0.00 34.95 32.25 1kj6 s ARG 17 CO 0.00 -0.39 -0.13 0.00 -1.08 0.00 0.00 175.30 173.70 1kj6 s ALA 19 N -0.25 3.93 0.01 0.00 0.00 -0.87 -4.98 121.76 119.60 1kj6 s ALA 19 Ca 0.04 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 1kj6 s ALA 19 Cb -0.06 -1.74 -0.32 0.00 0.00 0.00 0.00 23.12 21.01 1kj6 s ALA 19 CO -0.00 0.32 0.88 0.28 0.00 0.00 0.00 175.76 177.24 1kj6 h VAL 20 N 1.29 1.17 0.00 0.00 2.07 -1.89 -3.35 116.25 115.55 1kj6 h VAL 20 Ca -0.51 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.31 1kj6 h VAL 20 Cb 1.22 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1kj6 h VAL 20 CO 0.63 0.84 0.00 0.18 0.02 0.00 0.00 177.57 179.24 1kj6 n LEU 21 N -3.60 0.07 -4.57 2.57 4.32 -1.26 -4.38 117.00 110.15 1kj6 n LEU 21 Ca -0.18 0.06 -0.30 0.00 -0.02 0.00 0.00 56.01 55.56 1kj6 n LEU 21 Cb 1.08 0.01 -0.10 0.00 -1.62 0.00 0.00 43.42 42.79 1kj6 n LEU 21 CO 0.55 -0.55 -0.42 -0.94 -1.22 0.00 0.00 177.39 174.81 1kj6 s SER 22 N -4.64 4.39 1.31 -1.43 1.04 -1.26 -4.57 113.70 108.54 1kj6 s SER 22 Ca 0.00 -0.36 -0.18 0.00 0.48 0.00 0.00 55.95 55.90 1kj6 s SER 22 Cb 0.00 -0.86 0.33 0.00 0.10 0.00 0.00 66.02 65.60 1kj6 s SER 22 CO 0.00 0.20 0.97 0.00 0.98 0.00 0.00 173.24 175.39 1kj6 s LEU 24 N -7.59 4.47 0.62 0.00 2.01 -1.26 -4.97 118.68 111.96 1kj6 s LEU 24 Ca 0.69 1.04 0.42 0.00 0.01 0.00 0.00 54.13 56.28 1kj6 s LEU 24 Cb -0.20 -2.75 2.26 0.00 0.01 0.00 0.00 46.19 45.51 1kj6 s LEU 24 CO 0.62 0.28 2.28 -0.65 1.01 0.00 0.00 176.35 179.89 1kj6 h PRO 25 N 4.48 0.00 -0.38 1.29 0.11 -2.02 -0.53 132.00 134.95 1kj6 h PRO 25 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1kj6 h PRO 25 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1kj6 h PRO 25 CO 0.63 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.05 1kj6 n LYS 26 N -2.97 2.08 -3.75 1.05 5.02 -1.26 -4.91 118.16 113.42 1kj6 n LYS 26 Ca -0.03 -1.66 -0.12 0.00 -2.02 0.00 0.00 58.31 54.49 1kj6 n LYS 26 Cb 0.07 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.50 0.79 0.32 1.97 1.03 -0.21 -2.54 118.70 118.56 1kj6 s GLU 27 Ca 0.33 -0.43 0.06 0.00 0.03 0.00 0.00 54.97 54.96 1kj6 s GLU 27 Cb 0.18 0.35 -0.01 0.00 -0.80 0.00 0.00 34.13 33.84 1kj6 s GLU 27 CO 0.25 -0.25 0.45 -1.83 -1.33 0.00 0.00 175.26 172.55 1kj6 s GLU 28 N -2.32 3.16 0.01 -4.83 -1.05 -0.99 -4.36 118.70 108.31 1kj6 s GLU 28 Ca -0.07 -0.98 -0.18 0.00 -0.15 0.00 0.00 54.97 53.60 1kj6 s GLU 28 Cb -0.02 -2.82 -0.06 0.00 -0.44 0.00 0.00 34.13 30.79 1kj6 s GLU 28 CO -0.02 0.12 0.50 -1.14 0.95 0.00 0.00 175.26 175.67 1kj6 s GLN 29 N -4.14 4.13 -0.00 -4.83 0.74 -1.25 -0.79 119.66 113.52 1kj6 s GLN 29 Ca 0.43 0.57 0.01 0.00 0.05 0.00 0.00 55.36 56.42 1kj6 s GLN 29 Cb -0.09 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.73 1kj6 s GLN 29 CO 0.31 0.55 0.01 0.44 -0.55 0.00 0.00 175.29 176.05 1kj6 n ILE 30 N 2.19 0.01 -0.75 -2.34 -5.35 -0.84 -4.97 119.36 107.30 1kj6 n ILE 30 Ca -0.11 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1kj6 n ILE 30 Cb 0.51 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 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 2.57 -1.19 3.71 3.28 0.00 -1.26 -4.66 105.19 107.65 1kj6 n GLY 31 Ca -0.00 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.53 4.50 0.00 1.61 -0.14 -1.23 0.75 119.74 123.69 1kj6 s LYS 32 Ca 0.00 1.13 0.20 0.00 -1.36 0.00 0.00 55.97 55.94 1kj6 s LYS 32 Cb 0.00 -3.45 0.57 0.00 -1.68 0.00 0.00 37.83 33.27 1kj6 s LYS 32 CO 0.00 0.02 1.48 0.00 -0.76 0.00 0.00 175.35 176.09 1kj6 n SER 34 N 1.41 0.00 0.00 0.00 2.88 -1.26 -4.89 113.62 111.76 1kj6 n SER 34 Ca 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1kj6 n SER 34 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1kj6 n SER 34 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1kj6 n THR 35 N 0.00 0.00 -3.15 2.46 5.66 -1.26 -5.07 114.28 112.91 1kj6 n THR 35 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1kj6 n THR 35 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1kj6 n THR 35 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1kj6 s ARG 36 N -0.32 0.38 0.00 1.09 3.00 -1.26 -4.95 118.95 116.89 1kj6 s ARG 36 Ca 0.00 0.63 0.00 0.00 -1.00 0.00 0.00 55.73 55.36 1kj6 s ARG 36 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 34.95 35.29 1kj6 s ARG 36 CO 0.00 -0.45 0.00 0.41 0.00 0.00 0.00 175.30 175.26 1kj6 n GLY 37 N 5.43 0.52 3.35 8.12 0.00 -1.26 -5.08 105.19 116.26 1kj6 n GLY 37 Ca -0.02 0.00 -0.18 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 -0.69 1.37 0.31 1.61 0.52 -1.26 -3.98 118.95 116.82 1kj6 s ARG 38 Ca 0.00 -1.68 -0.08 0.00 -0.52 0.00 0.00 55.73 53.45 1kj6 s ARG 38 Cb 0.00 -0.80 0.01 0.00 0.52 0.00 0.00 34.95 34.68 1kj6 s ARG 38 CO 0.00 -0.03 0.50 0.15 0.02 0.00 0.00 175.30 175.95 1kj6 s LYS 39 N -3.80 1.79 -0.09 3.54 3.01 -1.26 -4.09 119.74 118.84 1kj6 s LYS 39 Ca 0.27 -1.52 0.01 0.00 -1.01 0.00 0.00 55.97 53.72 1kj6 s LYS 39 Cb 0.05 0.47 -0.02 0.00 -1.01 0.00 0.00 37.83 37.31 1kj6 s LYS 39 CO 0.09 -0.75 -0.11 0.00 0.51 0.00 0.00 175.35 175.09 1kj6 s ARG 42 N -0.55 2.28 0.17 0.00 1.04 0.03 -2.21 118.95 119.71 1kj6 s ARG 42 Ca 0.08 -0.55 -0.33 0.00 -1.04 0.00 0.00 55.73 53.88 1kj6 s ARG 42 Cb -0.08 -2.09 -0.15 0.00 -2.04 0.00 0.00 34.95 30.59 1kj6 s ARG 42 CO -0.01 -0.23 1.29 -2.13 -0.04 0.00 0.00 175.30 174.18 1kj6 n ARG 43 N 4.75 1.42 -2.10 3.89 0.63 -1.26 -2.36 116.66 121.63 1kj6 n ARG 43 Ca -0.17 0.51 -0.41 0.00 -0.92 0.00 0.00 57.85 56.86 1kj6 n ARG 43 Cb 0.50 -2.09 -0.02 0.00 0.45 0.00 0.00 32.46 31.29 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 -0.08 4.33 0.00 -0.14 3.01 -1.05 -4.92 119.74 120.89 1kj6 s LYS 44 Ca 0.75 2.21 0.19 0.00 -1.01 0.00 0.00 55.97 58.10 1kj6 s LYS 44 Cb -0.82 -3.12 0.15 0.00 -1.01 0.00 0.00 37.83 33.03 1kj6 s LYS 44 CO 0.49 -0.29 1.09 1.63 0.51 0.00 0.00 175.35 178.78