#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 0.26 4.61 0.00 -1.26 -4.96 120.51 119.16 2khf n ALA 2 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2khf n ALA 2 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.12 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 0.00 -0.53 0.00 5.08 -2.05 -2.10 115.95 116.36 2khf h TRP 3 Ca 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 2khf h TRP 3 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 2khf h TRP 3 CO 0.00 0.06 0.11 1.57 -1.28 0.00 0.00 178.44 178.90 2khf h LYS 4 N 0.00 0.86 -0.24 0.12 5.09 -1.99 0.22 116.57 120.62 2khf h LYS 4 Ca -0.00 -0.22 -0.14 0.00 0.09 0.00 0.00 60.65 60.39 2khf h LYS 4 Cb 0.11 -0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.32 2khf h LYS 4 CO 0.01 0.83 -0.41 -0.91 -2.09 0.00 0.00 179.45 176.87 2khf h ASN 5 N 0.74 0.62 0.03 7.07 2.35 -1.79 -2.66 115.58 121.95 2khf h ASN 5 Ca 0.16 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2khf h ASN 5 Cb 0.37 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2khf h ASN 5 CO 0.01 0.96 -0.01 0.15 -1.65 0.00 0.00 177.43 176.89 2khf h PHE 6 N 0.48 -0.03 -0.52 1.19 3.57 -1.25 -2.18 116.94 118.20 2khf h PHE 6 Ca 0.04 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.64 2khf h PHE 6 Cb 0.92 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.59 2khf h PHE 6 CO 0.04 0.56 0.02 -1.49 -2.23 0.00 0.00 178.31 175.21 2khf h TRP 7 N -0.65 0.01 -0.08 0.41 4.06 -0.61 0.40 115.95 119.47 2khf h TRP 7 Ca -0.00 0.04 -0.08 0.00 2.06 0.00 0.00 58.89 60.91 2khf h TRP 7 Cb 0.61 0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 2khf h TRP 7 CO 0.13 -0.10 -0.31 1.03 -3.56 0.00 0.00 178.44 175.63 2khf h SER 8 N 0.14 0.15 0.64 -3.49 0.87 -1.54 -2.03 113.55 108.29 2khf h SER 8 Ca 0.27 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2khf h SER 8 Cb 0.40 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2khf h SER 8 CO -0.42 0.46 0.00 -1.28 -0.53 0.00 0.00 176.83 175.06 2khf h SER 9 N 0.14 0.00 0.02 6.23 0.87 -0.26 -3.03 113.55 117.52 2khf h SER 9 Ca 0.02 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 2khf h SER 9 Cb 0.62 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2khf h SER 9 CO 0.04 0.00 -0.81 -0.07 -0.53 0.00 0.00 176.83 175.46 2khf h LEU 10 N 0.00 0.08 -1.94 2.23 3.38 -0.66 -3.34 115.31 115.07 2khf h LEU 10 Ca 0.00 -0.76 0.24 0.00 0.09 0.00 0.00 57.88 57.45 2khf h LEU 10 Cb 0.32 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2khf h LEU 10 CO 0.00 1.33 0.61 0.08 0.09 0.00 0.00 178.44 180.55 2khf h ARG 11 N -0.86 0.05 -0.50 1.13 0.11 -1.46 0.27 114.38 113.12 2khf h ARG 11 Ca -0.21 -0.00 0.09 0.00 0.10 0.00 0.00 59.98 59.96 2khf h ARG 11 Cb 1.28 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.33 2khf h ARG 11 CO -0.08 0.03 0.34 0.87 0.10 0.00 0.00 179.97 181.24 2khf h LYS 12 N 0.05 0.29 0.00 0.08 1.57 -1.67 0.25 116.57 117.15 2khf h LYS 12 Ca 0.41 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.93 2khf h LYS 12 Cb 1.56 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.76 2khf h LYS 12 CO -0.03 0.19 -2.14 0.41 -0.57 0.00 0.00 179.45 177.31 2khf n GLY 13 N -1.54 -1.02 0.15 3.86 0.00 0.84 -4.24 105.19 103.23 2khf n GLY 13 Ca 0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 2khf n GLY 13 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2khf h PHE 14 N 0.00 0.10 0.00 1.61 -1.00 -0.73 -2.95 116.94 113.97 2khf h PHE 14 Ca -0.35 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.31 2khf h PHE 14 Cb 1.83 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 41.36 2khf h PHE 14 CO 0.00 0.65 -0.41 -0.92 -1.61 0.00 0.00 178.31 176.02 2khf h TYR 15 N 0.06 0.00 0.00 -0.55 5.03 -1.15 -1.62 116.97 118.74 2khf h TYR 15 Ca -0.01 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 2khf h TYR 15 Cb 1.05 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.33 2khf h TYR 15 CO 0.01 0.41 -0.08 -0.44 -1.32 0.00 0.00 178.16 176.73 2khf h ASP 16 N 0.00 0.00 0.00 -2.11 3.32 -1.69 -3.45 116.42 112.48 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 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2khf h ASP 16 CO 0.05 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.27 2khf n GLY 17 N -1.04 0.77 0.35 2.75 0.00 -1.02 -4.99 105.19 102.01 2khf n GLY 17 Ca -0.02 0.00 0.18 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 -0.13 1.61 4.39 -1.61 0.23 114.58 119.07 2khf h GLU 18 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2khf h GLU 18 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2khf h GLU 18 CO 0.00 0.00 0.19 0.00 -1.16 0.00 0.00 179.01 178.04 2khf h ALA 19 N 1.73 1.63 0.00 3.43 0.00 -1.55 -0.38 119.26 124.13 2khf h ALA 19 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2khf h ALA 19 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2khf h ALA 19 CO -0.00 -0.26 -0.89 0.41 0.00 0.00 0.00 179.25 178.51 2khf n GLY 20 N -1.34 0.00 0.20 0.00 0.00 0.10 -4.69 105.19 99.46 2khf n GLY 20 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 1.61 2.43 -0.56 -3.07 114.38 114.79 2khf h ARG 21 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2khf h ARG 21 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2khf h ARG 21 CO 0.00 0.26 0.00 0.00 -1.51 0.00 0.00 179.97 178.72 2khf h ALA 22 N 1.74 1.00 -0.12 2.80 0.00 -1.28 0.14 119.26 123.55 2khf h ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2khf h ALA 22 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2khf h ALA 22 CO 0.03 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.39 2khf n ILE 23 N -2.84 0.13 -3.49 0.00 -0.00 -1.16 -4.99 119.36 107.02 2khf n ILE 23 Ca -0.02 -0.50 -0.20 0.00 -0.00 0.00 0.00 62.75 62.02 2khf n ILE 23 Cb 0.08 1.12 0.03 0.00 -0.00 0.00 0.00 39.64 40.87 2khf n ILE 23 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2khf n ARG 24 N 1.11 -1.41 0.00 0.38 3.00 0.51 -5.17 116.66 115.07 2khf n ARG 24 Ca 0.16 0.83 0.02 0.00 -0.01 0.00 0.00 57.85 58.86 2khf n ARG 24 Cb 0.54 -4.40 0.14 0.00 0.00 0.00 0.00 32.46 28.74 2khf n ARG 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17