#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 -0.00 0.19 0.41 0.01 -1.26 -5.15 113.70 107.90 1kx6 s SER 2 Ca 0.00 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1kx6 s SER 2 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1kx6 s SER 2 CO 0.00 -0.01 0.00 1.67 0.41 0.00 0.00 173.24 175.31 1kx6 n GLN 3 N -0.59 -4.01 0.02 12.44 7.27 -1.26 -5.06 117.38 126.19 1kx6 n GLN 3 Ca -0.07 2.95 0.00 0.00 0.07 0.00 0.00 57.00 59.95 1kx6 n GLN 3 Cb 0.63 -3.08 0.00 0.00 2.41 0.00 0.00 30.24 30.20 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 1.08 0.02 1.11 1.69 0.00 -1.26 -5.08 105.19 102.76 1kx6 n GLY 4 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.80 -0.20 -0.02 2.61 -2.24 -1.26 -4.46 114.28 105.91 1kx6 n THR 5 Ca 0.00 0.41 -0.21 0.00 -2.27 0.00 0.00 64.05 61.98 1kx6 n THR 5 Cb 0.00 -0.72 -0.14 0.00 -2.10 0.00 0.00 70.33 67.37 1kx6 n THR 5 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1kx6 n PHE 6 N -3.61 1.02 -0.70 4.78 7.35 -1.26 -4.45 117.46 120.59 1kx6 n PHE 6 Ca -0.04 0.22 -0.25 0.00 -0.76 0.00 0.00 57.45 56.62 1kx6 n PHE 6 Cb 0.56 -1.13 0.11 0.00 0.35 0.00 0.00 39.48 39.37 1kx6 n PHE 6 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1kx6 n THR 7 N -3.46 0.00 -1.45 -2.13 5.66 -1.26 -4.35 114.28 107.30 1kx6 n THR 7 Ca -0.35 -0.10 -0.35 0.00 -3.05 0.00 0.00 64.05 60.20 1kx6 n THR 7 Cb 1.03 -0.36 -0.17 0.00 -1.55 0.00 0.00 70.33 69.29 1kx6 n THR 7 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1kx6 n SER 8 N 0.17 -0.17 0.00 1.09 2.88 -1.26 -3.57 113.62 112.76 1kx6 n SER 8 Ca 0.02 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1kx6 n SER 8 Cb 0.49 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 8.86 0.00 -4.01 -3.46 -0.08 -1.26 -5.11 116.55 111.48 1kx6 n ASP 9 Ca 0.64 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.62 1kx6 n ASP 9 Cb 0.06 0.11 0.10 0.00 2.34 0.00 0.00 41.12 43.73 1kx6 n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kx6 n TYR 10 N -1.62 -1.49 0.00 -0.67 0.18 -1.23 -4.77 117.16 107.56 1kx6 n TYR 10 Ca 0.00 0.38 0.00 0.00 1.88 0.00 0.00 57.90 60.16 1kx6 n TYR 10 Cb 0.00 -1.44 0.00 0.00 -0.38 0.00 0.00 39.34 37.52 1kx6 n TYR 10 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1kx6 n SER 11 N 0.91 0.00 -0.34 9.48 7.64 -1.26 -4.99 113.62 125.06 1kx6 n SER 11 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1kx6 n SER 11 Cb 0.58 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 1kx6 n SER 11 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1kx6 n LYS 12 N 0.00 -0.28 0.29 1.43 5.02 -1.26 -0.77 118.16 122.59 1kx6 n LYS 12 Ca 0.00 1.29 -0.15 0.00 -2.02 0.00 0.00 58.31 57.43 1kx6 n LYS 12 Cb 0.00 -1.91 -0.08 0.00 -0.02 0.00 0.00 35.03 33.03 1kx6 n LYS 12 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1kx6 h TYR 13 N 0.00 -0.70 -1.35 2.13 0.05 -1.99 -3.43 116.97 111.69 1kx6 h TYR 13 Ca 0.22 -0.02 -0.78 0.00 0.05 0.00 0.00 58.73 58.21 1kx6 h TYR 13 Cb 0.43 0.23 0.02 0.00 1.01 0.00 0.00 36.73 38.42 1kx6 h TYR 13 CO -0.80 -0.37 0.69 1.28 -1.05 0.00 0.00 178.16 177.91 1kx6 n LEU 14 N -5.32 1.69 -3.79 3.88 7.99 0.05 -4.90 117.00 116.60 1kx6 n LEU 14 Ca -0.11 1.12 -0.08 0.00 -0.01 0.00 0.00 56.01 56.93 1kx6 n LEU 14 Cb 0.33 -1.05 -0.03 0.00 -0.11 0.00 0.00 43.42 42.57 1kx6 n LEU 14 CO 0.31 -0.79 0.40 -0.62 -1.51 0.00 0.00 177.39 175.18 1kx6 s ASP 15 N 2.58 -0.29 0.09 -1.43 -1.08 -1.26 -4.82 116.67 110.46 1kx6 s ASP 15 Ca 0.98 -0.53 -0.34 0.00 -0.52 0.00 0.00 52.55 52.14 1kx6 s ASP 15 Cb -1.20 0.67 -0.18 0.00 -1.46 0.00 0.00 42.92 40.75 1kx6 s ASP 15 CO 0.67 -1.23 0.80 -0.24 0.52 0.00 0.00 175.17 175.69 1kx6 n SER 16 N -0.42 -0.58 0.01 -0.34 2.88 -1.26 -4.59 113.62 109.31 1kx6 n SER 16 Ca -0.07 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1kx6 n SER 16 Cb 0.61 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1kx6 n SER 16 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1kx6 n ARG 17 N 1.25 0.00 -0.32 -1.46 0.63 -1.26 -4.99 116.66 110.51 1kx6 n ARG 17 Ca 0.19 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 57.06 1kx6 n ARG 17 Cb 0.16 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.06 1kx6 n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1kx6 h ARG 18 N 0.00 -0.08 0.00 -0.14 -0.00 -2.04 -3.38 114.38 108.73 1kx6 h ARG 18 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1kx6 h ARG 18 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.99 1kx6 h ARG 18 CO 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 179.97 179.91 1kx6 n ALA 19 N -3.30 0.00 -0.47 0.04 0.00 -1.26 -4.25 120.51 111.27 1kx6 n ALA 19 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1kx6 n ALA 19 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.32 117.38 114.07 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 3.65 0.00 1.47 1.69 3.58 -1.88 1.52 116.42 126.45 1kx6 h ASP 21 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1kx6 h ASP 21 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1kx6 h ASP 21 CO 0.00 0.00 -0.38 0.15 -2.88 0.00 0.00 179.24 176.13 1kx6 h PHE 22 N 0.00 0.00 0.00 0.28 3.04 -1.64 -3.10 116.94 115.52 1kx6 h PHE 22 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1kx6 h PHE 22 Cb 0.83 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.34 1kx6 h PHE 22 CO 0.00 0.38 0.21 0.28 -2.02 0.00 0.00 178.31 177.16 1kx6 h VAL 23 N 0.00 0.00 -0.02 1.41 2.07 0.20 0.66 116.25 120.57 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 1.22 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1kx6 h VAL 23 CO 0.05 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.31 1kx6 n GLN 24 N -2.79 1.06 0.00 1.57 7.27 -1.17 -1.03 117.38 122.28 1kx6 n GLN 24 Ca -0.02 -0.07 0.00 0.00 0.07 0.00 0.00 57.00 56.97 1kx6 n GLN 24 Cb 0.26 -1.15 0.00 0.00 2.41 0.00 0.00 30.24 31.76 1kx6 n GLN 24 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1kx6 n TRP 25 N -0.32 0.00 0.18 3.69 -0.00 0.22 -4.33 117.44 116.87 1kx6 n TRP 25 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.54 1kx6 n TRP 25 Cb 0.08 0.29 0.32 0.00 -0.00 0.00 0.00 31.31 32.00 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 0.00 -5.00 5.87 -0.00 -1.43 -3.39 115.31 111.36 1kx6 h LEU 26 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.75 1kx6 h LEU 26 Cb 0.33 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 40.85 1kx6 h LEU 26 CO 0.00 0.43 -0.30 0.23 -0.00 0.00 0.00 178.44 178.80 1kx6 n MET 27 N -3.76 0.44 -1.70 1.13 2.81 -0.20 -5.07 117.12 110.77 1kx6 n MET 27 Ca -0.01 -1.33 -0.31 0.00 -1.81 0.00 0.00 57.70 54.25 1kx6 n MET 27 Cb 0.50 -0.87 0.04 0.00 -0.71 0.00 0.00 33.22 32.18 1kx6 n MET 27 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1kx6 s ASN 28 N -0.49 5.54 0.00 7.83 4.22 -0.69 -4.51 114.94 126.84 1kx6 s ASN 28 Ca 0.29 1.45 0.00 0.00 -2.14 0.00 0.00 52.86 52.46 1kx6 s ASN 28 Cb 0.17 -2.36 0.00 0.00 1.28 0.00 0.00 41.25 40.34 1kx6 s ASN 28 CO -0.15 -1.32 0.00 0.35 -2.04 0.00 0.00 177.10 173.95