#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx6 n SER 2 N 0.00 0.30 -3.75 0.26 2.88 -1.26 -5.13 113.62 106.92 1kx6 n SER 2 Ca 0.00 0.27 -0.13 0.00 -1.33 0.00 0.00 58.87 57.68 1kx6 n SER 2 Cb 0.00 0.07 -0.09 0.00 -0.75 0.00 0.00 64.21 63.44 1kx6 n SER 2 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1kx6 s GLN 3 N -1.78 0.57 0.00 -1.46 -0.21 -1.26 -5.10 119.66 110.42 1kx6 s GLN 3 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.47 1kx6 s GLN 3 Cb 0.00 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.27 1kx6 s GLN 3 CO 0.00 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 1kx6 n GLY 4 N 1.93 0.22 3.02 3.09 0.00 -1.26 -5.08 105.19 107.11 1kx6 n GLY 4 Ca -0.18 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 1kx6 n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kx6 n THR 5 N 0.00 0.00 -0.01 2.61 -2.24 -1.26 -4.95 114.28 108.43 1kx6 n THR 5 Ca 0.00 -0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 61.31 1kx6 n THR 5 Cb 0.00 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.18 1kx6 n THR 5 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1kx6 n PHE 6 N -2.63 0.00 -1.47 4.78 -1.74 -1.26 -4.85 117.46 110.29 1kx6 n PHE 6 Ca -0.02 0.00 -0.51 0.00 -0.56 0.00 0.00 57.45 56.36 1kx6 n PHE 6 Cb 0.57 -0.09 -0.07 0.00 1.52 0.00 0.00 39.48 41.41 1kx6 n PHE 6 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 1kx6 n THR 7 N -2.47 0.21 -3.65 1.97 5.66 -1.26 -4.85 114.28 109.89 1kx6 n THR 7 Ca -0.04 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1kx6 n THR 7 Cb 0.55 -1.61 -0.06 0.00 -1.55 0.00 0.00 70.33 67.65 1kx6 n THR 7 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1kx6 s SER 8 N 6.93 -0.03 0.00 1.09 0.15 -1.26 -4.99 113.70 115.59 1kx6 s SER 8 Ca 1.08 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1kx6 s SER 8 Cb -0.87 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1kx6 s SER 8 CO 0.50 -0.01 0.00 -0.67 1.20 0.00 0.00 173.24 174.27 1kx6 n ASP 9 N 2.33 0.00 -3.39 5.45 2.03 -1.26 -4.88 116.55 116.83 1kx6 n ASP 9 Ca -0.14 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.86 1kx6 n ASP 9 Cb 0.56 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.99 1kx6 n ASP 9 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1kx6 n TYR 10 N 0.00 -3.53 -0.78 -0.67 4.01 -1.26 -3.93 117.16 110.99 1kx6 n TYR 10 Ca 0.00 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1kx6 n TYR 10 Cb 0.00 -1.27 0.00 0.00 -0.31 0.00 0.00 39.34 37.76 1kx6 n TYR 10 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1kx6 n SER 11 N 2.55 -1.04 0.00 7.72 2.88 -1.26 -4.61 113.62 119.87 1kx6 n SER 11 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1kx6 n SER 11 Cb 0.43 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1kx6 n SER 11 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1kx6 n LYS 12 N 0.16 0.00 -0.59 -1.46 4.81 -1.26 -4.65 118.16 115.17 1kx6 n LYS 12 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1kx6 n LYS 12 Cb 0.00 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.13 1kx6 n LYS 12 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1kx6 n TYR 13 N 0.00 1.40 -4.18 5.64 9.36 -1.25 -4.85 117.16 123.27 1kx6 n TYR 13 Ca 0.00 -1.21 -0.16 0.00 3.32 0.00 0.00 57.90 59.85 1kx6 n TYR 13 Cb 0.00 -0.61 -0.06 0.00 -0.63 0.00 0.00 39.34 38.04 1kx6 n TYR 13 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1kx6 n LEU 14 N -0.17 0.00 0.00 2.98 -0.00 -1.26 -4.62 117.00 113.94 1kx6 n LEU 14 Ca 0.27 -2.77 0.00 0.00 -0.00 0.00 0.00 56.01 53.52 1kx6 n LEU 14 Cb 0.98 1.74 0.00 0.00 -0.00 0.00 0.00 43.42 46.14 1kx6 n LEU 14 CO 0.29 -0.51 0.00 -0.67 -0.00 0.00 0.00 177.39 176.50 1kx6 n ASP 15 N -1.78 0.00 -2.22 1.45 2.03 -1.26 -4.93 116.55 109.84 1kx6 n ASP 15 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1kx6 n ASP 15 Cb 0.54 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1kx6 n ASP 15 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1kx6 n SER 16 N -0.98 -9.30 0.00 1.67 7.64 -1.26 -5.03 113.62 106.37 1kx6 n SER 16 Ca 0.00 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.49 1kx6 n SER 16 Cb 0.00 -5.21 0.00 0.00 -1.01 0.00 0.00 64.21 57.99 1kx6 n SER 16 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1kx6 n ARG 17 N 1.94 0.00 0.00 1.43 5.12 -1.26 -4.89 116.66 119.01 1kx6 n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1kx6 n ARG 17 Cb 0.00 -0.68 0.00 0.00 -1.16 0.00 0.00 32.46 30.62 1kx6 n ARG 17 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1kx6 n ARG 18 N -2.36 0.00 -3.26 5.56 0.63 -1.26 -4.52 116.66 111.46 1kx6 n ARG 18 Ca 0.00 0.65 -0.38 0.00 -0.92 0.00 0.00 57.85 57.20 1kx6 n ARG 18 Cb 0.33 -1.49 -0.06 0.00 0.45 0.00 0.00 32.46 31.69 1kx6 n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1kx6 s ALA 19 N -3.31 3.47 0.00 5.13 0.00 -1.26 -4.90 121.76 120.89 1kx6 s ALA 19 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1kx6 s ALA 19 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1kx6 s ALA 19 CO 0.00 0.07 0.58 0.94 0.00 0.00 0.00 175.76 177.34 1kx6 n GLN 20 N 3.28 0.00 0.00 0.00 0.00 -1.26 -4.75 117.38 114.65 1kx6 n GLN 20 Ca -0.07 -0.55 0.00 0.00 -0.00 0.00 0.00 57.00 56.38 1kx6 n GLN 20 Cb 0.51 -0.41 0.00 0.00 0.00 0.00 0.00 30.24 30.34 1kx6 n GLN 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1kx6 n ASP 21 N 0.00 0.53 0.20 1.69 8.00 -1.26 -4.81 116.55 120.90 1kx6 n ASP 21 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1kx6 n ASP 21 Cb 0.55 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.95 1kx6 n ASP 21 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1kx6 h PHE 22 N 0.00 0.00 0.00 1.24 -1.00 -1.98 -2.89 116.94 112.32 1kx6 h PHE 22 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1kx6 h PHE 22 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1kx6 h PHE 22 CO 0.00 0.24 0.00 0.28 -1.61 0.00 0.00 178.31 177.22 1kx6 h VAL 23 N 0.00 0.00 -0.03 -0.55 2.07 -1.87 0.12 116.25 115.99 1kx6 h VAL 23 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1kx6 h VAL 23 Cb 0.96 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1kx6 h VAL 23 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1kx6 n GLN 24 N -2.71 1.12 0.00 1.57 6.02 -1.09 0.12 117.38 122.40 1kx6 n GLN 24 Ca -0.02 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1kx6 n GLN 24 Cb 0.09 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1kx6 n GLN 24 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1kx6 n TRP 25 N -0.26 0.00 0.03 1.08 -0.00 0.39 -4.50 117.44 114.18 1kx6 n TRP 25 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.44 1kx6 n TRP 25 Cb 0.11 0.23 0.10 0.00 -0.00 0.00 0.00 31.31 31.75 1kx6 n TRP 25 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1kx6 h LEU 26 N 0.00 0.49 0.00 5.87 -0.00 -1.51 -3.43 115.31 116.73 1kx6 h LEU 26 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1kx6 h LEU 26 Cb 0.48 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1kx6 h LEU 26 CO 0.00 0.91 0.00 1.15 -0.00 0.00 0.00 178.44 180.50 1kx6 n MET 27 N -3.97 0.00 -1.84 1.13 0.00 -0.18 -5.09 117.12 107.18 1kx6 n MET 27 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.32 1kx6 n MET 27 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.84 1kx6 n MET 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1kx6 s ASN 28 N 0.00 4.89 0.00 3.17 4.22 0.12 -4.59 114.94 122.74 1kx6 s ASN 28 Ca 0.00 2.40 0.00 0.00 -2.14 0.00 0.00 52.86 53.12 1kx6 s ASN 28 Cb 0.00 -2.60 0.00 0.00 1.28 0.00 0.00 41.25 39.93 1kx6 s ASN 28 CO 0.00 -1.80 0.00 0.35 -2.04 0.00 0.00 177.10 173.61