#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khf n ALA 2 N 0.00 0.00 -0.06 4.61 0.00 -1.26 -4.96 120.51 118.83 2khf n ALA 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2khf n ALA 2 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 2khf n ALA 2 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2khf h TRP 3 N 0.00 0.71 -0.34 0.00 5.08 -2.04 -1.51 115.95 117.84 2khf h TRP 3 Ca 0.00 -0.08 -0.17 0.00 1.08 0.00 0.00 58.89 59.72 2khf h TRP 3 Cb 0.00 -0.20 -0.00 0.00 -3.00 0.00 0.00 29.16 25.96 2khf h TRP 3 CO 0.00 0.66 -0.46 1.57 -1.28 0.00 0.00 178.44 178.94 2khf h LYS 4 N 0.64 0.92 0.00 0.12 5.09 -1.98 0.78 116.57 122.14 2khf h LYS 4 Ca 0.13 -0.53 -0.05 0.00 0.09 0.00 0.00 60.65 60.29 2khf h LYS 4 Cb 0.38 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 32.74 2khf h LYS 4 CO 0.01 1.18 -0.25 -0.91 -2.09 0.00 0.00 179.45 177.39 2khf h ASN 5 N 0.73 0.00 0.00 7.07 2.35 -1.87 -1.01 115.58 122.85 2khf h ASN 5 Ca 0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2khf h ASN 5 Cb 1.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2khf h ASN 5 CO 0.11 0.25 -0.59 0.15 -1.65 0.00 0.00 177.43 175.70 2khf h PHE 6 N 0.00 0.00 0.53 1.19 3.57 -1.12 -3.19 116.94 117.93 2khf h PHE 6 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2khf h PHE 6 Cb 0.68 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.43 2khf h PHE 6 CO 0.00 0.87 -0.26 -1.49 -2.23 0.00 0.00 178.31 175.21 2khf h TRP 7 N -1.00 -0.66 -0.94 0.41 -0.00 -0.89 -2.70 115.95 110.18 2khf h TRP 7 Ca -0.14 -0.02 0.16 0.00 -0.00 0.00 0.00 58.89 58.90 2khf h TRP 7 Cb 0.89 0.22 -0.08 0.00 -0.00 0.00 0.00 29.16 30.19 2khf h TRP 7 CO 0.08 -0.40 0.60 1.03 -0.00 0.00 0.00 178.44 179.75 2khf h SER 8 N -0.75 0.67 -0.78 -3.49 0.87 -1.38 0.13 113.55 108.82 2khf h SER 8 Ca -0.07 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.60 2khf h SER 8 Cb 0.56 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 2khf h SER 8 CO 0.12 0.31 0.51 -1.28 -0.53 0.00 0.00 176.83 175.96 2khf h SER 9 N 0.69 0.75 0.59 6.23 0.87 -1.46 -2.10 113.55 119.11 2khf h SER 9 Ca 0.49 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.77 2khf h SER 9 Cb 0.82 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 2khf h SER 9 CO -0.25 0.49 -1.43 -0.07 -0.53 0.00 0.00 176.83 175.04 2khf h LEU 10 N 0.86 0.24 -0.80 2.23 3.38 -0.67 -3.34 115.31 117.21 2khf h LEU 10 Ca 0.33 -0.33 0.14 0.00 0.09 0.00 0.00 57.88 58.12 2khf h LEU 10 Cb 0.22 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 2khf h LEU 10 CO -0.11 1.27 0.38 0.03 0.09 0.00 0.00 178.44 180.09 2khf h ARG 11 N 0.04 0.53 0.00 1.13 2.47 -0.21 0.33 114.38 118.67 2khf h ARG 11 Ca -0.19 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.43 2khf h ARG 11 Cb 1.96 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 30.15 2khf h ARG 11 CO 0.14 0.35 -0.31 0.87 0.56 0.00 0.00 179.97 181.58 2khf h LYS 12 N 0.54 0.00 0.01 0.04 1.57 -1.60 -1.08 116.57 116.05 2khf h LYS 12 Ca 0.44 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.99 2khf h LYS 12 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 2khf h LYS 12 CO -0.38 0.31 -1.13 0.78 -0.57 0.00 0.00 179.45 178.46 2khf h GLY 13 N 0.93 0.02 1.74 3.86 0.00 -0.72 -3.14 103.07 105.75 2khf h GLY 13 Ca -0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 47.33 47.06 2khf h GLY 13 CO 0.04 0.03 -1.04 0.74 0.00 0.00 0.00 176.54 176.31 2khf h PHE 14 N 0.00 0.35 0.00 5.60 -1.00 -0.24 -3.21 116.94 118.44 2khf h PHE 14 Ca -0.06 -0.23 -0.08 0.00 2.81 0.00 0.00 57.97 60.41 2khf h PHE 14 Cb 1.82 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 41.34 2khf h PHE 14 CO 0.00 1.11 -0.37 1.88 -1.61 0.00 0.00 178.31 179.32 2khf h TYR 15 N 0.09 0.00 0.00 -0.55 0.05 -1.30 -0.42 116.97 114.85 2khf h TYR 15 Ca -0.08 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 2khf h TYR 15 Cb 1.73 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.47 2khf h TYR 15 CO 0.04 0.37 -0.07 -0.44 -1.05 0.00 0.00 178.16 177.01 2khf h ASP 16 N 0.00 0.00 0.00 3.88 3.32 -1.55 -3.45 116.42 118.62 2khf h ASP 16 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2khf h ASP 16 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2khf h ASP 16 CO 0.05 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 2khf n GLY 17 N -1.08 0.67 0.34 2.75 0.00 -1.08 -4.98 105.19 101.81 2khf n GLY 17 Ca -0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.17 2khf n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2khf h GLU 18 N 0.00 0.00 -0.65 1.61 5.08 -1.59 0.24 114.58 119.27 2khf h GLU 18 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 2khf h GLU 18 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2khf h GLU 18 CO 0.00 0.00 0.51 0.00 -1.00 0.00 0.00 179.01 178.52 2khf h ALA 19 N 1.76 2.54 0.00 3.43 0.00 -1.32 -2.92 119.26 122.75 2khf h ALA 19 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2khf h ALA 19 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2khf h ALA 19 CO -0.00 -0.85 -0.64 0.41 0.00 0.00 0.00 179.25 178.17 2khf n GLY 20 N -1.63 0.00 0.37 0.00 0.00 -0.41 -4.64 105.19 98.89 2khf n GLY 20 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2khf n GLY 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2khf h ARG 21 N 0.00 0.65 0.00 1.61 2.43 -0.62 0.33 114.38 118.78 2khf h ARG 21 Ca 0.00 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 2khf h ARG 21 Cb 0.64 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2khf h ARG 21 CO 0.00 0.43 -0.48 0.00 -1.51 0.00 0.00 179.97 178.40 2khf h ALA 22 N 1.61 0.81 0.00 2.80 0.00 -1.74 -3.05 119.26 119.69 2khf h ALA 22 Ca 0.50 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2khf h ALA 22 Cb 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2khf h ALA 22 CO -0.26 0.60 -0.43 0.82 0.00 0.00 0.00 179.25 179.98 2khf h ILE 23 N 0.00 0.00 -6.65 0.00 2.04 -0.73 -3.48 117.51 108.69 2khf h ILE 23 Ca -0.00 -0.51 -0.53 0.00 1.00 0.00 0.00 64.86 64.81 2khf h ILE 23 Cb 1.17 1.23 -0.10 0.00 -0.74 0.00 0.00 36.82 38.38 2khf h ILE 23 CO 0.06 0.00 -0.91 0.54 0.00 0.00 0.00 178.15 177.85 2khf n ARG 24 N -2.20 -2.71 0.00 2.37 5.12 0.65 -5.09 116.66 114.79 2khf n ARG 24 Ca 0.04 0.33 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 2khf n ARG 24 Cb 0.44 -4.31 0.00 0.00 -1.16 0.00 0.00 32.46 27.43 2khf n ARG 24 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24