#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khg n ALA 2 N 0.00 0.00 0.11 4.61 0.00 -1.26 -4.96 120.51 119.01 2khg n ALA 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2khg n ALA 2 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 2khg n ALA 2 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2khg h TRP 3 N 0.00 0.18 0.00 0.00 5.08 -2.07 -2.96 115.95 116.18 2khg h TRP 3 Ca 0.00 -0.07 -0.07 0.00 1.08 0.00 0.00 58.89 59.83 2khg h TRP 3 Cb 0.00 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.12 2khg h TRP 3 CO 0.00 0.72 -0.34 -0.22 -1.28 0.00 0.00 178.44 177.32 2khg h LYS 4 N 0.10 0.00 -0.56 0.12 3.11 -2.01 -3.09 116.57 114.25 2khg h LYS 4 Ca -0.01 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.87 2khg h LYS 4 Cb 1.10 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.29 2khg h LYS 4 CO 0.09 0.34 0.32 -0.91 -2.81 0.00 0.00 179.45 176.47 2khg h ASN 5 N 0.00 0.49 -0.49 4.20 4.21 -1.90 -2.03 115.58 120.06 2khg h ASN 5 Ca -0.00 0.01 0.03 0.00 1.21 0.00 0.00 56.30 57.55 2khg h ASN 5 Cb 0.77 -0.09 -0.04 0.00 -1.12 0.00 0.00 38.32 37.85 2khg h ASN 5 CO 0.04 0.34 0.28 0.15 -1.29 0.00 0.00 177.43 176.95 2khg h PHE 6 N 0.62 0.52 -0.79 1.19 3.04 -1.65 -2.02 116.94 117.85 2khg h PHE 6 Ca 0.23 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.23 2khg h PHE 6 Cb 0.08 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.38 2khg h PHE 6 CO -0.07 0.29 0.52 -1.49 -2.02 0.00 0.00 178.31 175.53 2khg h TRP 7 N 0.56 0.95 -0.77 0.41 -0.00 -1.52 -2.12 115.95 113.46 2khg h TRP 7 Ca 0.20 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 59.14 2khg h TRP 7 Cb 0.05 -0.32 -0.05 0.00 -0.00 0.00 0.00 29.16 28.84 2khg h TRP 7 CO -0.08 0.56 0.49 0.77 -0.00 0.00 0.00 178.44 180.19 2khg h SER 8 N 0.99 0.82 0.31 -3.49 0.02 -0.67 -1.78 113.55 109.76 2khg h SER 8 Ca 0.31 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 2khg h SER 8 Cb 0.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2khg h SER 8 CO -0.08 0.57 -0.15 0.28 -1.14 0.00 0.00 176.83 176.30 2khg h SER 9 N 0.97 -0.36 -0.66 3.07 0.02 -1.14 -2.45 113.55 113.00 2khg h SER 9 Ca 0.30 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.36 2khg h SER 9 Cb -0.01 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 2khg h SER 9 CO -0.10 -0.25 0.28 -0.07 -1.14 0.00 0.00 176.83 175.55 2khg h LEU 10 N -0.42 0.32 0.23 5.07 3.38 -1.29 -1.43 115.31 121.17 2khg h LEU 10 Ca -0.04 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2khg h LEU 10 Cb 0.32 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2khg h LEU 10 CO 0.07 0.18 -0.47 0.03 0.09 0.00 0.00 178.44 178.34 2khg h ARG 11 N 0.48 -0.75 -0.51 1.13 3.08 -1.09 -0.75 114.38 115.98 2khg h ARG 11 Ca 0.33 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.56 2khg h ARG 11 Cb 0.40 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2khg h ARG 11 CO -0.30 -0.50 0.35 0.87 -1.07 0.00 0.00 179.97 179.32 2khg h LYS 12 N -0.78 0.13 0.27 0.04 6.56 -1.05 -0.30 116.57 121.44 2khg h LYS 12 Ca -0.01 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 2khg h LYS 12 Cb 0.76 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.39 2khg h LYS 12 CO -0.20 0.08 -0.13 0.78 -2.06 0.00 0.00 179.45 177.92 2khg h GLY 13 N 0.13 -0.38 2.00 3.86 0.00 -0.10 -3.10 103.07 105.48 2khg h GLY 13 Ca 0.24 0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 2khg h GLY 13 CO -0.03 -0.14 -0.31 -2.75 0.00 0.00 0.00 176.54 173.31 2khg h PHE 14 N -0.66 0.00 -0.23 5.60 3.04 -0.71 -2.57 116.94 121.42 2khg h PHE 14 Ca -0.04 0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.98 2khg h PHE 14 Cb 0.46 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 2khg h PHE 14 CO 0.02 0.31 0.23 -0.92 -2.02 0.00 0.00 178.31 175.92 2khg h TYR 15 N 0.00 0.00 -1.10 0.41 5.03 -0.99 -1.09 116.97 119.22 2khg h TYR 15 Ca -0.00 0.00 -0.61 0.00 2.58 0.00 0.00 58.73 60.69 2khg h TYR 15 Cb 0.59 0.00 -0.38 0.00 1.55 0.00 0.00 36.73 38.49 2khg h TYR 15 CO 0.00 0.00 -0.18 -0.25 -1.32 0.00 0.00 178.16 176.41 2khg n ASP 16 N -3.94 5.85 0.09 -2.11 8.00 -0.97 -4.12 116.55 119.34 2khg n ASP 16 Ca 0.03 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.76 2khg n ASP 16 Cb 0.36 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2khg n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2khg n GLY 17 N -0.70 -0.18 0.07 0.44 0.00 -0.42 -4.76 105.19 99.64 2khg n GLY 17 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 2khg n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2khg h GLU 18 N 0.00 0.00 0.00 1.61 4.39 -1.82 -3.35 114.58 115.41 2khg h GLU 18 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2khg h GLU 18 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2khg h GLU 18 CO 0.00 0.34 -0.16 0.00 -1.16 0.00 0.00 179.01 178.02 2khg h ALA 19 N -0.76 1.21 -0.05 3.43 0.00 -1.77 -2.46 119.26 118.86 2khg h ALA 19 Ca -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2khg h ALA 19 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2khg h ALA 19 CO -0.04 0.21 -0.10 0.78 0.00 0.00 0.00 179.25 180.09 2khg h GLY 20 N 1.20 0.07 0.59 0.00 0.00 -1.72 -2.88 103.07 100.34 2khg h GLY 20 Ca -0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 47.33 46.96 2khg h GLY 20 CO 0.02 0.03 -1.99 -2.13 0.00 0.00 0.00 176.54 172.47 2khg n ARG 21 N -4.38 0.67 -3.31 4.80 3.00 -1.01 -4.88 116.66 111.55 2khg n ARG 21 Ca -0.02 0.21 -0.07 0.00 -0.00 0.00 0.00 57.85 57.97 2khg n ARG 21 Cb 0.20 -1.69 -0.07 0.00 0.00 0.00 0.00 32.46 30.90 2khg n ARG 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2khg s ALA 22 N -2.56 -1.32 -0.12 5.13 0.00 -0.96 -5.02 121.76 116.91 2khg s ALA 22 Ca -0.12 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 2khg s ALA 22 Cb 0.07 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 2khg s ALA 22 CO 0.80 -1.28 -0.10 0.82 0.00 0.00 0.00 175.76 176.00 2khg h ILE 23 N 6.15 0.00 0.00 0.00 2.04 -1.81 -3.37 117.51 120.53 2khg h ILE 23 Ca -0.20 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 2khg h ILE 23 Cb 1.16 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2khg h ILE 23 CO 0.27 0.00 -0.40 -2.11 0.00 0.00 0.00 178.15 175.91 2khg n ARG 24 N -4.62 1.25 0.00 2.37 0.00 -1.26 -5.01 116.66 109.38 2khg n ARG 24 Ca -0.04 -2.82 0.00 0.00 -0.00 0.00 0.00 57.85 54.99 2khg n ARG 24 Cb 0.14 -1.36 0.00 0.00 -0.00 0.00 0.00 32.46 31.24 2khg n ARG 24 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52