#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khg h ALA 2 N 0.00 2.63 0.03 4.61 0.00 -2.08 0.21 119.26 124.67 2khg h ALA 2 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 2khg h ALA 2 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2khg h ALA 2 CO 0.00 -0.89 -1.00 0.11 0.00 0.00 0.00 179.25 177.46 2khg h TRP 3 N 0.00 0.51 0.00 0.00 5.08 -2.07 -3.19 115.95 116.28 2khg h TRP 3 Ca 0.33 -0.30 -0.06 0.00 1.08 0.00 0.00 58.89 59.94 2khg h TRP 3 Cb 1.39 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 27.50 2khg h TRP 3 CO 0.00 1.14 -0.29 -0.22 -1.28 0.00 0.00 178.44 177.80 2khg h LYS 4 N 0.16 0.00 -0.12 0.12 3.64 -1.07 -3.18 116.57 116.12 2khg h LYS 4 Ca -0.09 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2khg h LYS 4 Cb 1.66 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.42 2khg h LYS 4 CO 0.17 0.29 -0.27 -0.91 -2.27 0.00 0.00 179.45 176.46 2khg h ASN 5 N 0.00 -0.83 -0.33 4.20 4.21 -1.35 0.11 115.58 121.58 2khg h ASN 5 Ca -0.00 0.13 0.07 0.00 1.21 0.00 0.00 56.30 57.70 2khg h ASN 5 Cb 0.68 0.36 -0.07 0.00 -1.12 0.00 0.00 38.32 38.18 2khg h ASN 5 CO 0.04 -0.32 -0.11 0.15 -1.29 0.00 0.00 177.43 175.89 2khg h PHE 6 N -0.34 -0.26 -0.27 1.19 3.57 -1.71 -0.16 116.94 118.96 2khg h PHE 6 Ca 0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2khg h PHE 6 Cb 0.49 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2khg h PHE 6 CO -0.36 -0.18 0.17 -1.49 -2.23 0.00 0.00 178.31 174.21 2khg h TRP 7 N -0.05 0.35 -0.73 0.41 -0.00 -1.51 -2.09 115.95 112.32 2khg h TRP 7 Ca 0.16 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.04 2khg h TRP 7 Cb 0.30 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.16 29.30 2khg h TRP 7 CO -0.33 0.24 0.40 0.66 -0.00 0.00 0.00 178.44 179.40 2khg h SER 8 N 0.37 0.92 0.26 -3.49 4.64 0.11 -1.38 113.55 114.98 2khg h SER 8 Ca 0.10 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2khg h SER 8 Cb -0.02 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 2khg h SER 8 CO -0.02 0.75 -0.13 0.28 -0.87 0.00 0.00 176.83 176.85 2khg h SER 9 N 1.01 -0.30 -0.83 4.97 0.02 -0.85 -2.98 113.55 114.60 2khg h SER 9 Ca 0.26 -0.17 0.13 0.00 -0.84 0.00 0.00 61.79 61.17 2khg h SER 9 Cb 0.04 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.57 2khg h SER 9 CO -0.04 0.01 0.44 -0.07 -1.14 0.00 0.00 176.83 176.03 2khg h LEU 10 N -0.62 0.56 -0.15 5.07 3.38 -1.40 -2.01 115.31 120.14 2khg h LEU 10 Ca -0.04 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2khg h LEU 10 Cb 0.44 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2khg h LEU 10 CO 0.06 0.27 -0.27 0.03 0.09 0.00 0.00 178.44 178.62 2khg h ARG 11 N 0.66 -0.32 -0.19 1.13 3.08 -1.18 0.98 114.38 118.55 2khg h ARG 11 Ca 0.43 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.56 2khg h ARG 11 Cb 0.55 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2khg h ARG 11 CO -0.32 -0.21 0.16 0.87 -1.07 0.00 0.00 179.97 179.40 2khg h LYS 12 N -0.33 0.00 0.12 0.04 6.56 -1.23 -0.27 116.57 121.47 2khg h LYS 12 Ca 0.11 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.69 2khg h LYS 12 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 2khg h LYS 12 CO -0.34 0.00 -0.06 0.78 -2.06 0.00 0.00 179.45 177.78 2khg h GLY 13 N 0.00 -0.17 2.00 3.86 0.00 -0.44 -3.26 103.07 105.06 2khg h GLY 13 Ca 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 2khg h GLY 13 CO -0.00 -0.06 -0.18 -2.75 0.00 0.00 0.00 176.54 173.55 2khg h PHE 14 N -0.82 0.00 -0.31 5.60 3.04 -0.79 -2.44 116.94 121.21 2khg h PHE 14 Ca -0.02 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.00 2khg h PHE 14 Cb 0.55 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 2khg h PHE 14 CO 0.10 0.18 0.22 -0.92 -2.02 0.00 0.00 178.31 175.86 2khg h TYR 15 N 0.00 0.13 -0.86 0.41 5.03 -1.09 -0.92 116.97 119.67 2khg h TYR 15 Ca -0.00 0.00 -0.56 0.00 2.58 0.00 0.00 58.73 60.75 2khg h TYR 15 Cb 0.40 -0.04 -0.30 0.00 1.55 0.00 0.00 36.73 38.34 2khg h TYR 15 CO 0.00 0.07 0.38 -3.47 -1.32 0.00 0.00 178.16 173.82 2khg n ASP 16 N -4.47 5.76 0.04 -2.11 2.03 -0.92 -4.09 116.55 112.79 2khg n ASP 16 Ca 0.04 -3.75 0.00 0.00 0.52 0.00 0.00 54.79 51.60 2khg n ASP 16 Cb 0.30 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2khg n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khg n GLY 17 N -0.95 -0.08 0.08 0.27 0.00 -0.36 -4.73 105.19 99.42 2khg n GLY 17 Ca 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 2khg n GLY 17 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2khg h GLU 18 N 0.00 0.00 0.00 1.61 4.81 -1.77 -3.37 114.58 115.86 2khg h GLU 18 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2khg h GLU 18 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2khg h GLU 18 CO 0.00 0.51 -0.05 0.00 -0.73 0.00 0.00 179.01 178.74 2khg h ALA 19 N -0.72 1.39 -0.42 2.92 0.00 -1.78 -2.23 119.26 118.42 2khg h ALA 19 Ca -0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2khg h ALA 19 Cb 0.87 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2khg h ALA 19 CO -0.10 0.07 0.16 0.78 0.00 0.00 0.00 179.25 180.16 2khg h GLY 20 N 0.39 0.64 1.36 0.00 0.00 -1.73 -2.51 103.07 101.22 2khg h GLY 20 Ca -0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 2khg h GLY 20 CO 0.01 0.29 -0.44 -0.09 0.00 0.00 0.00 176.54 176.31 2khg h ARG 21 N 0.60 0.70 -1.51 4.80 2.43 -1.56 -3.45 114.38 116.38 2khg h ARG 21 Ca 0.15 -0.38 0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2khg h ARG 21 Cb 0.13 0.02 -0.25 0.00 -0.42 0.00 0.00 29.97 29.45 2khg h ARG 21 CO -0.01 1.00 0.27 0.00 -1.51 0.00 0.00 179.97 179.72 2khg s ALA 22 N -4.22 -2.30 -0.14 2.80 0.00 -0.95 -5.07 121.76 111.87 2khg s ALA 22 Ca -0.09 2.21 -0.14 0.00 0.00 0.00 0.00 51.96 53.95 2khg s ALA 22 Cb 0.12 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 2khg s ALA 22 CO 0.85 -0.51 -0.27 -0.89 0.00 0.00 0.00 175.76 174.94 2khg n ILE 23 N 4.15 1.24 -0.02 0.00 5.41 -1.21 -4.52 119.36 124.40 2khg n ILE 23 Ca -0.16 0.21 -0.03 0.00 1.00 0.00 0.00 62.75 63.77 2khg n ILE 23 Cb 0.56 -2.21 -0.03 0.00 -0.71 0.00 0.00 39.64 37.25 2khg n ILE 23 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2khg n ARG 24 N -4.15 1.72 0.00 0.38 0.00 -1.26 -5.11 116.66 108.24 2khg n ARG 24 Ca -0.11 0.01 0.15 0.00 -0.00 0.00 0.00 57.85 57.90 2khg n ARG 24 Cb 0.40 -1.11 0.66 0.00 -0.00 0.00 0.00 32.46 32.41 2khg n ARG 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50