#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 -0.68 0.29 0.26 1.04 -1.26 -5.17 113.70 108.18 1kx6 s SER 2 Ca 0.00 1.23 0.07 0.00 0.48 0.00 0.00 55.95 57.74 1kx6 s SER 2 Cb 0.00 1.21 -0.06 0.00 0.10 0.00 0.00 66.02 67.27 1kx6 s SER 2 CO 0.00 -0.21 -0.07 0.00 0.98 0.00 0.00 173.24 173.93 1kx6 s GLN 3 N 0.69 1.61 0.00 4.02 -2.07 -1.26 -4.94 119.66 117.71 1kx6 s GLN 3 Ca -0.03 -1.81 0.00 0.00 -1.82 0.00 0.00 55.36 51.70 1kx6 s GLN 3 Cb -0.05 -1.30 0.00 0.00 -1.09 0.00 0.00 33.01 30.57 1kx6 s GLN 3 CO -0.05 0.08 0.00 0.41 -1.32 0.00 0.00 175.29 174.41 1kx6 n GLY 4 N -0.63 0.90 2.91 2.60 0.00 -1.26 -5.05 105.19 104.66 1kx6 n GLY 4 Ca -0.05 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.11 0.00 0.08 2.61 -2.24 -1.26 -4.86 114.28 108.51 1kx6 n THR 5 Ca 0.00 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.25 1kx6 n THR 5 Cb 0.04 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 1kx6 n THR 5 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1kx6 h PHE 6 N -0.87 0.00 -2.12 4.78 3.57 -1.97 -3.44 116.94 116.89 1kx6 h PHE 6 Ca -0.42 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.50 1kx6 h PHE 6 Cb 1.26 0.00 0.20 0.00 2.79 0.00 0.00 35.95 40.20 1kx6 h PHE 6 CO 0.20 0.87 -1.30 -2.37 -2.23 0.00 0.00 178.31 173.49 1kx6 n THR 7 N -3.41 0.18 -2.76 4.41 5.66 -1.26 -4.49 114.28 112.61 1kx6 n THR 7 Ca 0.00 -0.49 0.02 0.00 -3.05 0.00 0.00 64.05 60.53 1kx6 n THR 7 Cb 0.86 -0.07 -0.01 0.00 -1.55 0.00 0.00 70.33 69.56 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 2.54 -4.13 -1.46 1.09 2.88 -1.26 -3.24 113.62 110.04 1kx6 n SER 8 Ca 0.05 0.19 -0.07 0.00 -1.33 0.00 0.00 58.87 57.71 1kx6 n SER 8 Cb 0.50 -0.56 0.11 0.00 -0.75 0.00 0.00 64.21 63.51 1kx6 n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1kx6 n ASP 9 N -3.55 3.32 -4.06 -3.46 8.00 -1.26 -4.96 116.55 110.57 1kx6 n ASP 9 Ca 0.00 -2.66 -0.37 0.00 0.71 0.00 0.00 54.79 52.47 1kx6 n ASP 9 Cb 0.08 -0.64 0.06 0.00 -0.02 0.00 0.00 41.12 40.60 1kx6 n ASP 9 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1kx6 n TYR 10 N -0.11 -2.61 -1.05 1.24 4.02 -1.20 -4.04 117.16 113.41 1kx6 n TYR 10 Ca 0.24 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.48 1kx6 n TYR 10 Cb 0.95 -1.44 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 1kx6 n TYR 10 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kx6 n SER 11 N 2.60 -1.40 0.00 7.72 2.88 -1.26 -4.55 113.62 119.60 1kx6 n SER 11 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1kx6 n SER 11 Cb 0.66 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.04 0.00 -0.29 -1.46 4.81 -1.26 -4.64 118.16 115.35 1kx6 n LYS 12 Ca 0.00 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 57.73 1kx6 n LYS 12 Cb 0.00 0.00 0.53 0.00 0.02 0.00 0.00 35.03 35.58 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 1.02 -1.43 5.64 9.36 -1.26 -4.41 117.16 126.08 1kx6 n TYR 13 Ca 0.00 1.03 -0.62 0.00 3.32 0.00 0.00 57.90 61.63 1kx6 n TYR 13 Cb 0.00 -1.44 -0.11 0.00 -0.63 0.00 0.00 39.34 37.16 1kx6 n TYR 13 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1kx6 n LEU 14 N -4.98 1.06 -3.85 2.98 4.77 -1.26 -4.89 117.00 110.83 1kx6 n LEU 14 Ca 0.34 0.83 -0.12 0.00 -0.03 0.00 0.00 56.01 57.03 1kx6 n LEU 14 Cb 1.15 -0.93 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 1kx6 n LEU 14 CO 0.02 -0.77 -0.22 -1.81 -1.33 0.00 0.00 177.39 173.28 1kx6 s ASP 15 N 5.08 -0.08 -0.31 -1.43 1.11 -1.26 -5.06 116.67 114.72 1kx6 s ASP 15 Ca 1.14 0.11 -0.10 0.00 0.18 0.00 0.00 52.55 53.89 1kx6 s ASP 15 Cb -1.43 0.24 0.21 0.00 1.07 0.00 0.00 42.92 43.01 1kx6 s ASP 15 CO 0.70 -0.13 1.15 -0.55 1.18 0.00 0.00 175.17 177.52 1kx6 s SER 16 N -0.34 -0.10 -0.33 0.27 0.15 -1.26 -5.05 113.70 107.04 1kx6 s SER 16 Ca -0.04 -0.10 0.17 0.00 0.70 0.00 0.00 55.95 56.67 1kx6 s SER 16 Cb -0.03 0.12 0.45 0.00 -1.71 0.00 0.00 66.02 64.85 1kx6 s SER 16 CO 0.00 -0.00 0.98 -1.14 1.20 0.00 0.00 173.24 174.28 1kx6 n ARG 17 N 2.71 1.14 -0.07 5.44 0.63 -1.26 -4.96 116.66 120.29 1kx6 n ARG 17 Ca 0.09 -3.10 -0.11 0.00 -0.92 0.00 0.00 57.85 53.81 1kx6 n ARG 17 Cb 0.66 -1.14 -0.06 0.00 0.45 0.00 0.00 32.46 32.38 1kx6 n ARG 17 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1kx6 h ARG 18 N 2.90 -0.40 0.00 -0.14 2.43 -2.08 -3.40 114.38 113.70 1kx6 h ARG 18 Ca -0.11 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1kx6 h ARG 18 Cb 1.18 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1kx6 h ARG 18 CO 0.44 -0.26 0.00 0.00 -1.51 0.00 0.00 179.97 178.64 1kx6 n ALA 19 N -3.01 0.00 -2.17 2.80 0.00 -1.26 -4.81 120.51 112.06 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 0.36 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 -5.78 0.00 0.00 -0.06 -1.26 -4.27 117.38 106.01 1kx6 n GLN 20 Ca 0.00 4.09 0.00 0.00 -2.00 0.00 0.00 57.00 59.09 1kx6 n GLN 20 Cb 0.00 -4.51 0.00 0.00 -4.06 0.00 0.00 30.24 21.67 1kx6 n GLN 20 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1kx6 n ASP 21 N 1.98 0.00 0.25 1.69 -0.08 -1.26 -4.45 116.55 114.68 1kx6 n ASP 21 Ca 0.00 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.43 1kx6 n ASP 21 Cb 0.00 0.00 0.48 0.00 2.34 0.00 0.00 41.12 43.94 1kx6 n ASP 21 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1kx6 h PHE 22 N 0.00 0.00 -0.00 -0.67 0.04 -1.88 -2.83 116.94 111.60 1kx6 h PHE 22 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1kx6 h PHE 22 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1kx6 h PHE 22 CO 0.00 0.03 0.04 0.28 -0.60 0.00 0.00 178.31 178.07 1kx6 h VAL 23 N 0.00 0.03 0.00 -0.55 2.07 -1.86 0.32 116.25 116.26 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 0.72 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1kx6 h VAL 23 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1kx6 n GLN 24 N -3.10 0.98 0.00 1.57 3.00 -1.07 -1.51 117.38 117.25 1kx6 n GLN 24 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1kx6 n GLN 24 Cb 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 30.24 29.28 1kx6 n GLN 24 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93 1kx6 n TRP 25 N -0.42 0.00 0.46 1.08 -0.00 0.11 -3.94 117.44 114.73 1kx6 n TRP 25 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.60 1kx6 n TRP 25 Cb 0.04 0.18 0.41 0.00 -0.00 0.00 0.00 31.31 31.94 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 -2.73 0.36 -2.66 5.87 7.99 -0.91 -4.23 117.00 120.70 1kx6 n LEU 26 Ca 0.00 0.59 -0.04 0.00 -0.01 0.00 0.00 56.01 56.55 1kx6 n LEU 26 Cb 0.30 -0.53 0.09 0.00 -0.11 0.00 0.00 43.42 43.17 1kx6 n LEU 26 CO 0.00 -0.40 0.68 1.15 -1.51 0.00 0.00 177.39 177.31 1kx6 n MET 27 N -1.90 0.06 -1.78 3.23 0.00 -0.57 -5.07 117.12 111.09 1kx6 n MET 27 Ca 0.03 -0.58 -0.42 0.00 0.00 0.00 0.00 57.70 56.73 1kx6 n MET 27 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 33.22 33.32 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 -0.10 6.41 0.00 3.17 4.22 -1.17 -4.56 114.94 122.92 1kx6 s ASN 28 Ca 0.24 2.85 0.00 0.00 -2.14 0.00 0.00 52.86 53.81 1kx6 s ASN 28 Cb 0.23 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 40.15 1kx6 s ASN 28 CO -0.11 -0.93 0.00 0.35 -2.04 0.00 0.00 177.10 174.37