#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 5.40 0.39 0.26 0.15 -1.26 -5.01 113.70 113.62 1kx6 s SER 2 Ca 0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1kx6 s SER 2 Cb 0.00 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 1kx6 s SER 2 CO 0.00 0.06 0.00 0.00 1.20 0.00 0.00 173.24 174.50 1kx6 n GLN 3 N -0.37 -2.52 -2.33 5.44 6.02 -1.26 -4.23 117.38 118.13 1kx6 n GLN 3 Ca -0.08 1.88 -0.41 0.00 -0.01 0.00 0.00 57.00 58.37 1kx6 n GLN 3 Cb 0.55 -3.11 0.01 0.00 1.02 0.00 0.00 30.24 28.70 1kx6 n GLN 3 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kx6 n GLY 4 N -3.84 5.67 2.91 1.08 0.00 -1.26 -5.02 105.19 104.73 1kx6 n GLY 4 Ca -0.03 -2.32 -0.35 0.00 0.00 0.00 0.00 46.02 43.32 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 0.87 0.00 -2.29 2.61 -2.24 -1.26 -4.89 114.28 107.07 1kx6 n THR 5 Ca 0.54 -0.48 -0.27 0.00 -2.27 0.00 0.00 64.05 61.57 1kx6 n THR 5 Cb 0.26 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.31 3.19 -4.06 4.78 -1.74 -1.26 -5.03 117.46 111.03 1kx6 n PHE 6 Ca -0.01 -2.81 -0.14 0.00 -0.56 0.00 0.00 57.45 53.93 1kx6 n PHE 6 Cb 0.53 -0.23 -0.03 0.00 1.52 0.00 0.00 39.48 41.27 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 -0.56 0.00 -1.47 1.97 5.66 -1.26 -5.11 114.28 113.51 1kx6 n THR 7 Ca 0.42 -1.74 0.19 0.00 -3.05 0.00 0.00 64.05 59.87 1kx6 n THR 7 Cb 0.74 1.05 -0.06 0.00 -1.55 0.00 0.00 70.33 70.51 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 -1.66 -8.77 -4.38 1.09 2.88 -1.26 -4.48 113.62 97.03 1kx6 n SER 8 Ca 0.01 0.85 -0.50 0.00 -1.33 0.00 0.00 58.87 57.90 1kx6 n SER 8 Cb 0.56 -4.61 -0.12 0.00 -0.75 0.00 0.00 64.21 59.29 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 -4.32 0.82 -0.87 -3.46 9.92 -1.26 -4.82 116.55 112.57 1kx6 n ASP 9 Ca -0.02 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1kx6 n ASP 9 Cb 0.68 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 1kx6 n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kx6 n TYR 10 N 9.36 0.00 -3.02 1.24 4.11 -1.26 -4.90 117.16 122.69 1kx6 n TYR 10 Ca 0.57 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 58.34 1kx6 n TYR 10 Cb 0.05 0.00 0.06 0.00 -0.00 0.00 0.00 39.34 39.45 1kx6 n TYR 10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1kx6 n SER 11 N -2.53 -6.11 0.00 9.48 3.41 -1.26 -4.72 113.62 111.89 1kx6 n SER 11 Ca 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 1kx6 n SER 11 Cb 0.00 -4.62 0.00 0.00 -0.26 0.00 0.00 64.21 59.33 1kx6 n SER 11 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1kx6 n LYS 12 N -2.95 0.00 -2.81 4.33 2.85 -1.26 -5.01 118.16 113.32 1kx6 n LYS 12 Ca -0.06 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.83 1kx6 n LYS 12 Cb 0.60 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.98 1kx6 n LYS 12 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1kx6 n TYR 13 N 0.00 3.08 -4.21 5.58 4.02 -1.26 -5.00 117.16 119.37 1kx6 n TYR 13 Ca 0.00 -3.02 -0.27 0.00 -0.01 0.00 0.00 57.90 54.60 1kx6 n TYR 13 Cb 0.00 -0.99 -0.05 0.00 -0.02 0.00 0.00 39.34 38.28 1kx6 n TYR 13 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1kx6 s LEU 14 N -3.82 2.77 0.13 7.72 1.43 -1.26 -5.04 118.68 120.61 1kx6 s LEU 14 Ca 0.41 -1.28 -0.27 0.00 -1.03 0.00 0.00 54.13 51.95 1kx6 s LEU 14 Cb 0.19 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1kx6 s LEU 14 CO -0.10 -0.80 1.60 0.44 0.23 0.00 0.00 176.35 177.72 1kx6 h ASP 15 N 1.19 -1.08 -5.20 2.29 3.32 -2.03 -3.48 116.42 111.44 1kx6 h ASP 15 Ca -0.41 0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.79 1kx6 h ASP 15 Cb 1.28 0.44 -0.07 0.00 0.22 0.00 0.00 39.33 41.20 1kx6 h ASP 15 CO 0.67 -0.39 -0.99 -1.20 -1.72 0.00 0.00 179.24 175.61 1kx6 n SER 16 N -5.42 -3.54 -0.26 6.45 7.64 -1.26 -4.00 113.62 113.23 1kx6 n SER 16 Ca -0.04 1.31 0.02 0.00 1.01 0.00 0.00 58.87 61.16 1kx6 n SER 16 Cb 0.34 -4.03 0.10 0.00 -1.01 0.00 0.00 64.21 59.61 1kx6 n SER 16 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1kx6 h ARG 17 N 4.41 0.01 -0.41 1.43 1.12 -2.03 -0.48 114.38 118.43 1kx6 h ARG 17 Ca -0.30 -0.00 0.05 0.00 -1.11 0.00 0.00 59.98 58.62 1kx6 h ARG 17 Cb 0.68 -0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 30.56 1kx6 h ARG 17 CO 0.01 0.01 -0.54 0.00 -3.11 0.00 0.00 179.97 176.34 1kx6 h ARG 18 N 0.02 -0.37 0.00 0.20 3.08 -2.00 -3.40 114.38 111.90 1kx6 h ARG 18 Ca 0.37 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1kx6 h ARG 18 Cb 0.58 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1kx6 h ARG 18 CO -0.75 -0.25 0.00 0.00 -1.07 0.00 0.00 179.97 177.91 1kx6 n ALA 19 N -3.09 0.00 -0.43 0.04 0.00 -0.19 -4.28 120.51 112.56 1kx6 n ALA 19 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1kx6 n ALA 19 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 0.33 0.00 -0.06 -1.25 -2.39 117.38 114.00 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 0.74 0.00 -4.06 0.00 0.00 30.24 26.92 1kx6 n GLN 20 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1kx6 h ASP 21 N 3.78 0.00 1.47 1.69 3.32 -1.88 1.54 116.42 126.33 1kx6 h ASP 21 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1kx6 h ASP 21 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1kx6 h ASP 21 CO 0.00 0.00 -0.37 0.15 -1.72 0.00 0.00 179.24 177.30 1kx6 h PHE 22 N 0.00 0.00 0.00 4.55 3.04 -1.66 -3.10 116.94 119.78 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 0.82 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1kx6 h PHE 22 CO 0.00 0.37 0.20 0.28 -2.02 0.00 0.00 178.31 177.14 1kx6 h VAL 23 N 0.00 0.00 0.00 1.41 2.07 0.21 0.64 116.25 120.57 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 1.20 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 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 -2.78 0.97 0.00 1.57 6.02 -1.17 -0.58 117.38 121.42 1kx6 n GLN 24 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1kx6 n GLN 24 Cb 0.25 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 -0.44 0.00 0.16 1.08 -0.00 0.22 -4.10 117.44 114.36 1kx6 n TRP 25 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.52 1kx6 n TRP 25 Cb 0.03 0.25 0.26 0.00 -0.00 0.00 0.00 31.31 31.85 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 -5.18 5.87 -0.00 -1.48 -3.35 115.31 111.17 1kx6 h LEU 26 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 1kx6 h LEU 26 Cb 0.48 0.00 -0.27 0.00 -0.00 0.00 0.00 40.66 40.87 1kx6 h LEU 26 CO 0.00 0.49 -0.76 0.23 -0.00 0.00 0.00 178.44 178.40 1kx6 n MET 27 N -3.70 1.10 0.45 1.13 2.81 0.25 -4.99 117.12 114.18 1kx6 n MET 27 Ca -0.01 -2.53 -0.19 0.00 -1.81 0.00 0.00 57.70 53.16 1kx6 n MET 27 Cb 0.55 -0.89 -0.09 0.00 -0.71 0.00 0.00 33.22 32.07 1kx6 n MET 27 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1kx6 h ASN 28 N 2.67 -1.17 0.00 7.83 -1.24 -1.54 -3.42 115.58 118.72 1kx6 h ASN 28 Ca -0.12 0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1kx6 h ASN 28 Cb 1.16 0.33 0.00 0.00 0.73 0.00 0.00 38.32 40.54 1kx6 h ASN 28 CO 0.24 -0.75 0.00 0.35 -1.29 0.00 0.00 177.43 175.98