#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 6.42 -0.95 4.39 1.04 -1.26 -4.94 113.70 118.41 1kx6 s SER 2 Ca 0.00 1.64 -0.07 0.00 0.48 0.00 0.00 55.95 58.01 1kx6 s SER 2 Cb 0.00 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.83 1kx6 s SER 2 CO 0.00 -1.22 0.88 -1.10 0.98 0.00 0.00 173.24 172.79 1kx6 s GLN 3 N 4.58 3.64 0.00 4.02 -1.52 -1.26 -4.84 119.66 124.28 1kx6 s GLN 3 Ca 0.70 -3.08 0.00 0.00 -1.95 0.00 0.00 55.36 51.04 1kx6 s GLN 3 Cb -0.25 -4.25 0.00 0.00 -0.22 0.00 0.00 33.01 28.29 1kx6 s GLN 3 CO 0.28 -1.25 0.00 0.41 -0.25 0.00 0.00 175.29 174.48 1kx6 n GLY 4 N 2.81 1.59 3.42 3.09 0.00 -1.26 -5.17 105.19 109.67 1kx6 n GLY 4 Ca 0.20 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1kx6 n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kx6 s THR 5 N 0.00 0.01 -0.06 2.61 -4.23 -1.26 -5.09 115.64 107.61 1kx6 s THR 5 Ca 0.00 -0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1kx6 s THR 5 Cb 0.00 -1.03 -0.00 0.00 1.34 0.00 0.00 72.50 72.81 1kx6 s THR 5 CO 0.00 -0.03 -0.01 -0.26 -0.54 0.00 0.00 174.62 173.78 1kx6 h PHE 6 N 2.04 0.00 -1.88 3.99 0.04 -2.03 -3.47 116.94 115.63 1kx6 h PHE 6 Ca -0.34 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 59.94 1kx6 h PHE 6 Cb 1.30 0.00 0.24 0.00 2.20 0.00 0.00 35.95 39.70 1kx6 h PHE 6 CO 0.24 0.00 -1.80 -2.37 -0.60 0.00 0.00 178.31 173.78 1kx6 n THR 7 N -3.65 0.00 -0.94 -1.55 5.66 -1.26 -4.44 114.28 108.09 1kx6 n THR 7 Ca -0.00 -0.20 0.12 0.00 -3.05 0.00 0.00 64.05 60.92 1kx6 n THR 7 Cb 0.01 -0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 68.49 1kx6 n THR 7 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1kx6 n SER 8 N 1.26 -5.49 0.00 1.09 3.41 -1.26 -4.58 113.62 108.05 1kx6 n SER 8 Ca -0.00 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1kx6 n SER 8 Cb 0.65 -3.03 0.00 0.00 -0.26 0.00 0.00 64.21 61.57 1kx6 n SER 8 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1kx6 n ASP 9 N -4.36 0.00 -1.89 4.04 2.03 -1.26 -4.16 116.55 110.94 1kx6 n ASP 9 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.18 1kx6 n ASP 9 Cb 0.61 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1kx6 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kx6 n TYR 10 N 0.00 1.04 -0.26 -0.67 4.11 -1.26 -4.64 117.16 115.48 1kx6 n TYR 10 Ca 0.00 -1.69 0.19 0.00 -0.00 0.00 0.00 57.90 56.41 1kx6 n TYR 10 Cb 0.00 -0.96 0.36 0.00 -0.00 0.00 0.00 39.34 38.74 1kx6 n TYR 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1kx6 n SER 11 N 0.89 0.12 -0.26 9.48 2.88 -1.26 0.27 113.62 125.74 1kx6 n SER 11 Ca 0.26 1.30 -0.07 0.00 -1.33 0.00 0.00 58.87 59.04 1kx6 n SER 11 Cb 0.58 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.41 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 -4.90 -0.27 -0.33 -1.46 2.85 -1.26 0.18 118.16 112.98 1kx6 n LYS 12 Ca 0.25 1.16 0.21 0.00 -1.05 0.00 0.00 58.31 58.88 1kx6 n LYS 12 Cb 0.84 -1.72 0.40 0.00 -0.65 0.00 0.00 35.03 33.90 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 0.34 -4.23 5.58 -1.99 -0.59 -3.39 116.97 112.69 1kx6 h TYR 13 Ca 0.10 0.06 -0.50 0.00 2.00 0.00 0.00 58.73 60.38 1kx6 h TYR 13 Cb 0.25 0.01 0.08 0.00 2.00 0.00 0.00 36.73 39.08 1kx6 h TYR 13 CO -0.85 -0.41 0.37 -0.51 -0.00 0.00 0.00 178.16 176.76 1kx6 s LEU 14 N -10.77 3.38 0.95 3.88 2.01 0.48 -4.97 118.68 113.64 1kx6 s LEU 14 Ca -0.11 1.84 -0.15 0.00 0.01 0.00 0.00 54.13 55.71 1kx6 s LEU 14 Cb 0.30 -4.53 -0.07 0.00 0.01 0.00 0.00 46.19 41.90 1kx6 s LEU 14 CO 0.78 -1.41 -0.22 -0.67 1.01 0.00 0.00 176.35 175.84 1kx6 n ASP 15 N -2.42 -4.11 -4.76 2.29 2.03 -1.26 -4.89 116.55 103.42 1kx6 n ASP 15 Ca 0.09 0.28 -0.40 0.00 0.52 0.00 0.00 54.79 55.28 1kx6 n ASP 15 Cb 0.53 -0.97 -0.05 0.00 -0.72 0.00 0.00 41.12 39.91 1kx6 n ASP 15 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1kx6 s SER 16 N -1.44 7.25 -1.29 1.67 1.04 -1.26 -4.00 113.70 115.68 1kx6 s SER 16 Ca 0.49 1.49 -0.07 0.00 0.48 0.00 0.00 55.95 58.33 1kx6 s SER 16 Cb -0.21 -2.47 -0.00 0.00 0.10 0.00 0.00 66.02 63.43 1kx6 s SER 16 CO 0.75 0.07 0.62 -1.14 0.98 0.00 0.00 173.24 174.52 1kx6 n ARG 17 N 2.46 -2.93 0.12 4.02 0.63 -1.26 -4.88 116.66 114.81 1kx6 n ARG 17 Ca -0.04 0.48 -0.14 0.00 -0.92 0.00 0.00 57.85 57.23 1kx6 n ARG 17 Cb 0.50 -4.55 -0.09 0.00 0.45 0.00 0.00 32.46 28.77 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 -1.85 -0.66 0.00 -0.14 2.47 -1.95 -3.41 114.38 108.84 1kx6 h ARG 18 Ca -0.64 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 1kx6 h ARG 18 Cb 1.37 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.84 1kx6 h ARG 18 CO 0.56 -0.44 0.00 0.00 0.56 0.00 0.00 179.97 180.65 1kx6 n ALA 19 N -2.84 0.00 -2.19 0.04 0.00 -1.26 -4.74 120.51 109.51 1kx6 n ALA 19 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 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 -4.82 0.00 0.00 -0.06 -1.26 -4.10 117.38 107.14 1kx6 n GLN 20 Ca 0.00 3.44 0.00 0.00 -2.00 0.00 0.00 57.00 58.44 1kx6 n GLN 20 Cb 0.00 -4.07 0.00 0.00 -4.06 0.00 0.00 30.24 22.11 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 1.90 0.00 0.26 1.69 -0.08 -1.26 -4.45 116.55 114.62 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 0.62 0.00 2.34 0.00 0.00 41.12 44.08 1kx6 n ASP 21 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1kx6 h PHE 22 N 0.00 0.00 -0.00 -0.67 3.57 -1.85 -2.53 116.94 115.46 1kx6 h PHE 22 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1kx6 h PHE 22 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1kx6 h PHE 22 CO 0.00 0.07 0.08 0.28 -2.23 0.00 0.00 178.31 176.51 1kx6 h VAL 23 N 0.00 0.01 0.00 1.41 2.07 -1.84 0.40 116.25 118.30 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 0.58 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1kx6 h VAL 23 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1kx6 n GLN 24 N -3.06 0.96 0.00 1.57 6.02 -0.95 -0.94 117.38 120.98 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 0.14 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.37 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 -0.46 0.00 0.20 1.08 -0.00 0.13 -4.25 117.44 114.14 1kx6 n TRP 25 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.56 1kx6 n TRP 25 Cb 0.02 0.16 0.41 0.00 -0.00 0.00 0.00 31.31 31.90 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 0.00 5.87 -0.00 -1.47 -3.41 115.31 116.30 1kx6 h LEU 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1kx6 h LEU 26 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1kx6 h LEU 26 CO 0.00 0.34 0.00 1.15 -0.00 0.00 0.00 178.44 179.93 1kx6 n MET 27 N -3.71 0.00 -0.02 1.13 0.00 -0.12 -5.05 117.12 109.35 1kx6 n MET 27 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.56 1kx6 n MET 27 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.55 1kx6 n MET 27 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 1kx6 h ASN 28 N 0.00 -0.04 0.00 3.17 -1.07 -1.41 -3.41 115.58 112.82 1kx6 h ASN 28 Ca 0.00 -0.61 0.00 0.00 0.07 0.00 0.00 56.30 55.76 1kx6 h ASN 28 Cb 0.00 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1kx6 h ASN 28 CO 0.00 0.63 0.00 0.41 0.07 0.00 0.00 177.43 178.54