#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx6 s SER 2 N 0.00 -0.23 0.62 4.39 0.01 -1.26 -5.15 113.70 112.08 1kx6 s SER 2 Ca 0.00 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1kx6 s SER 2 Cb 0.00 1.22 0.00 0.00 0.21 0.00 0.00 66.02 67.45 1kx6 s SER 2 CO 0.00 -0.04 0.00 1.67 0.41 0.00 0.00 173.24 175.28 1kx6 n GLN 3 N 5.23 -3.82 0.00 12.44 7.27 -1.26 -5.08 117.38 132.16 1kx6 n GLN 3 Ca -0.08 3.04 0.00 0.00 0.07 0.00 0.00 57.00 60.03 1kx6 n GLN 3 Cb 0.54 -4.05 0.00 0.00 2.41 0.00 0.00 30.24 29.15 1kx6 n GLN 3 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1kx6 n GLY 4 N -3.51 2.61 3.05 1.69 0.00 -1.26 -5.11 105.19 102.66 1kx6 n GLY 4 Ca -0.05 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 0.01 -2.88 2.61 -2.24 -1.26 -4.91 114.28 105.61 1kx6 n THR 5 Ca 0.00 -0.47 -0.27 0.00 -2.27 0.00 0.00 64.05 61.04 1kx6 n THR 5 Cb 0.00 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.59 3.98 -3.78 4.78 -1.74 -1.26 -5.02 117.46 111.83 1kx6 n PHE 6 Ca -0.01 -3.88 -0.13 0.00 -0.56 0.00 0.00 57.45 52.87 1kx6 n PHE 6 Cb 0.55 -0.45 -0.11 0.00 1.52 0.00 0.00 39.48 40.99 1kx6 n PHE 6 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1kx6 s THR 7 N -4.60 0.01 0.49 1.97 -1.32 -1.26 -4.91 115.64 106.02 1kx6 s THR 7 Ca 0.49 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 1kx6 s THR 7 Cb 0.29 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.86 1kx6 s THR 7 CO -0.15 -0.06 0.00 -0.24 -2.21 0.00 0.00 174.62 171.97 1kx6 n SER 8 N 2.63 -8.18 -1.47 8.08 2.88 -1.26 -4.58 113.62 111.71 1kx6 n SER 8 Ca -0.15 1.17 -0.17 0.00 -1.33 0.00 0.00 58.87 58.40 1kx6 n SER 8 Cb 0.58 -4.45 -0.07 0.00 -0.75 0.00 0.00 64.21 59.52 1kx6 n SER 8 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1kx6 n ASP 9 N -0.82 -4.58 -3.41 -3.46 -0.08 -1.26 -4.89 116.55 98.05 1kx6 n ASP 9 Ca 0.00 0.42 -0.18 0.00 -1.51 0.00 0.00 54.79 53.53 1kx6 n ASP 9 Cb 0.00 -4.10 -0.07 0.00 2.34 0.00 0.00 41.12 39.29 1kx6 n ASP 9 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1kx6 s TYR 10 N -2.44 1.53 0.00 -0.67 5.04 -1.26 -4.88 117.35 114.67 1kx6 s TYR 10 Ca 0.00 -1.55 0.00 0.00 -2.44 0.00 0.00 57.07 53.08 1kx6 s TYR 10 Cb 0.00 -0.55 0.00 0.00 0.35 0.00 0.00 41.96 41.76 1kx6 s TYR 10 CO 0.00 -0.92 0.00 0.45 -1.34 0.00 0.00 175.55 173.74 1kx6 n SER 11 N -1.40 0.00 -0.32 4.32 2.88 -1.26 -4.80 113.62 113.04 1kx6 n SER 11 Ca 0.05 0.00 0.30 0.00 -1.33 0.00 0.00 58.87 57.89 1kx6 n SER 11 Cb 0.62 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.61 1kx6 n SER 11 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1kx6 n LYS 12 N 0.00 -0.04 -0.04 -1.46 2.85 -1.26 0.17 118.16 118.38 1kx6 n LYS 12 Ca 0.00 1.13 -0.14 0.00 -1.05 0.00 0.00 58.31 58.24 1kx6 n LYS 12 Cb 0.00 -2.10 -0.12 0.00 -0.65 0.00 0.00 35.03 32.16 1kx6 n LYS 12 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1kx6 h TYR 13 N 0.00 0.09 -0.64 5.58 0.05 -1.97 -3.43 116.97 116.65 1kx6 h TYR 13 Ca 0.73 -0.05 -0.57 0.00 0.05 0.00 0.00 58.73 58.88 1kx6 h TYR 13 Cb 2.10 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 39.79 1kx6 h TYR 13 CO -0.01 0.88 1.58 1.28 -1.05 0.00 0.00 178.16 180.85 1kx6 n LEU 14 N -4.62 1.29 -3.59 3.88 7.99 0.46 -4.86 117.00 117.55 1kx6 n LEU 14 Ca -0.10 0.15 -0.20 0.00 -0.01 0.00 0.00 56.01 55.86 1kx6 n LEU 14 Cb 0.45 -1.16 -0.15 0.00 -0.11 0.00 0.00 43.42 42.45 1kx6 n LEU 14 CO 0.36 -0.92 -0.25 -0.62 -1.51 0.00 0.00 177.39 174.45 1kx6 s ASP 15 N 8.88 1.37 -0.21 -1.43 2.15 -1.26 -4.96 116.67 121.21 1kx6 s ASP 15 Ca 1.18 -0.10 -0.18 0.00 0.43 0.00 0.00 52.55 53.88 1kx6 s ASP 15 Cb -0.94 0.18 0.06 0.00 -0.30 0.00 0.00 42.92 41.91 1kx6 s ASP 15 CO 0.46 -0.30 0.56 -0.44 -0.17 0.00 0.00 175.17 175.28 1kx6 s SER 16 N 2.27 -0.61 -0.01 -0.34 0.01 -1.26 -5.03 113.70 108.72 1kx6 s SER 16 Ca 0.04 1.14 0.14 0.00 1.31 0.00 0.00 55.95 58.58 1kx6 s SER 16 Cb -0.14 1.13 -0.18 0.00 0.21 0.00 0.00 66.02 67.03 1kx6 s SER 16 CO -0.09 -0.20 0.42 -2.11 0.41 0.00 0.00 173.24 171.68 1kx6 n ARG 17 N 3.07 1.42 -0.06 12.44 0.00 -1.26 -4.59 116.66 127.67 1kx6 n ARG 17 Ca -0.15 -0.07 -0.11 0.00 -0.00 0.00 0.00 57.85 57.52 1kx6 n ARG 17 Cb 0.56 -1.24 -0.05 0.00 -0.00 0.00 0.00 32.46 31.73 1kx6 n ARG 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1kx6 h ARG 18 N 0.00 -0.39 0.00 2.89 3.08 -2.03 -3.40 114.38 114.53 1kx6 h ARG 18 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1kx6 h ARG 18 Cb 0.49 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1kx6 h ARG 18 CO 0.00 -0.26 0.00 0.00 -1.07 0.00 0.00 179.97 178.64 1kx6 n ALA 19 N -2.99 0.00 -0.43 0.04 0.00 -1.26 -4.28 120.51 111.60 1kx6 n ALA 19 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1kx6 n ALA 19 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1kx6 n ALA 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1kx6 n GLN 20 N 0.00 0.00 0.32 0.00 -0.06 -1.26 -2.40 117.38 113.98 1kx6 n GLN 20 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 55.14 1kx6 n GLN 20 Cb 0.00 0.00 0.73 0.00 -4.06 0.00 0.00 30.24 26.91 1kx6 n GLN 20 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 1kx6 h ASP 21 N 3.81 0.00 1.43 1.69 1.82 -1.89 1.51 116.42 124.79 1kx6 h ASP 21 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1kx6 h ASP 21 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1kx6 h ASP 21 CO 0.00 0.00 -0.41 0.15 -1.61 0.00 0.00 179.24 177.37 1kx6 h PHE 22 N 0.00 0.00 0.00 0.28 3.57 -1.66 -3.10 116.94 116.03 1kx6 h PHE 22 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1kx6 h PHE 22 Cb 0.83 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1kx6 h PHE 22 CO 0.00 0.41 0.23 0.28 -2.23 0.00 0.00 178.31 177.00 1kx6 h VAL 23 N 0.00 0.00 0.00 1.41 2.07 0.20 0.73 116.25 120.66 1kx6 h VAL 23 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1kx6 h VAL 23 Cb 1.23 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1kx6 h VAL 23 CO 0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1kx6 n GLN 24 N -2.83 0.95 0.00 1.57 1.13 -1.17 -1.88 117.38 115.14 1kx6 n GLN 24 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1kx6 n GLN 24 Cb 0.28 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 29.63 1kx6 n GLN 24 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 1kx6 n TRP 25 N -0.50 0.00 0.37 1.08 -0.00 0.25 -4.65 117.44 113.99 1kx6 n TRP 25 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.57 1kx6 n TRP 25 Cb 0.00 0.09 0.29 0.00 -0.00 0.00 0.00 31.31 31.69 1kx6 n TRP 25 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1kx6 n LEU 26 N -2.89 0.12 -2.49 5.87 7.99 -1.06 -4.90 117.00 119.64 1kx6 n LEU 26 Ca 0.00 0.54 -0.05 0.00 -0.01 0.00 0.00 56.01 56.49 1kx6 n LEU 26 Cb 0.40 -0.53 0.01 0.00 -0.11 0.00 0.00 43.42 43.19 1kx6 n LEU 26 CO 0.00 -0.38 0.06 0.23 -1.51 0.00 0.00 177.39 175.79 1kx6 n MET 27 N -1.64 -1.64 -3.79 3.23 2.81 -0.79 -5.08 117.12 110.23 1kx6 n MET 27 Ca 0.02 1.62 -0.10 0.00 -1.81 0.00 0.00 57.70 57.44 1kx6 n MET 27 Cb 0.14 -4.53 -0.06 0.00 -0.71 0.00 0.00 33.22 28.06 1kx6 n MET 27 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1kx6 s ASN 28 N -2.23 -0.09 0.00 7.83 0.01 -0.98 -5.07 114.94 114.41 1kx6 s ASN 28 Ca 0.16 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1kx6 s ASN 28 Cb -0.04 0.46 0.00 0.00 0.41 0.00 0.00 41.25 42.07 1kx6 s ASN 28 CO 0.55 -0.88 0.00 0.35 -1.51 0.00 0.00 177.10 175.61