#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gny s TYR 3 N -1.73 0.11 -0.17 0.00 2.02 -0.03 -4.96 117.35 112.60 3gny s TYR 3 Ca 0.33 0.01 -0.29 0.00 -0.37 0.00 0.00 57.07 56.75 3gny s TYR 3 Cb -0.11 -0.13 -0.00 0.00 -0.40 0.00 0.00 41.96 41.32 3gny s TYR 3 CO 0.26 -0.03 0.99 0.00 -1.57 0.00 0.00 175.55 175.21 3gny s ARG 5 N 2.55 0.96 -0.03 0.00 0.52 0.10 -4.92 118.95 118.14 3gny s ARG 5 Ca 0.45 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 55.04 3gny s ARG 5 Cb -0.17 -0.95 -0.02 0.00 0.52 0.00 0.00 34.95 34.34 3gny s ARG 5 CO 0.12 0.24 -0.24 0.42 0.02 0.00 0.00 175.30 175.86 3gny s ILE 6 N -0.72 1.91 -0.39 1.52 1.01 -1.26 -0.93 121.20 122.33 3gny s ILE 6 Ca 0.02 -1.02 0.23 0.00 0.00 0.00 0.00 60.65 59.88 3gny s ILE 6 Cb -0.07 -1.59 0.12 0.00 0.01 0.00 0.00 42.46 40.93 3gny s ILE 6 CO 0.01 0.54 1.30 1.55 0.00 0.00 0.00 174.94 178.34 3gny h PRO 7 N 5.67 0.00 -2.56 2.79 0.13 -2.00 -3.50 132.00 132.53 3gny h PRO 7 Ca -0.39 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.85 3gny h PRO 7 Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 3gny h PRO 7 CO 0.47 0.00 0.39 0.00 -0.23 0.00 0.00 178.00 178.64 3gny s ALA 8 N -3.27 -1.59 0.73 -0.56 0.00 -1.26 -4.86 121.76 110.94 3gny s ALA 8 Ca 0.03 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 3gny s ALA 8 Cb 0.09 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.92 3gny s ALA 8 CO 0.73 -0.92 1.14 0.00 0.00 0.00 0.00 175.76 176.71 3gny s ILE 10 N -2.36 4.87 0.21 0.00 -4.36 -1.26 -4.97 121.20 113.34 3gny s ILE 10 Ca 0.68 -0.46 -0.31 0.00 -0.26 0.00 0.00 60.65 60.30 3gny s ILE 10 Cb -0.23 -3.78 -0.15 0.00 1.25 0.00 0.00 42.46 39.55 3gny s ILE 10 CO 0.47 -0.52 1.17 0.00 0.24 0.00 0.00 174.94 176.30 3gny n ALA 11 N -1.85 -0.32 0.00 2.27 0.00 -1.26 -0.94 120.51 118.41 3gny n ALA 11 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3gny n ALA 11 Cb 0.56 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3gny n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gny n GLY 12 N 1.85 0.94 3.71 0.00 0.00 -1.26 -5.05 105.19 105.39 3gny n GLY 12 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3gny n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gny s GLU 13 N -0.71 2.42 0.20 1.61 2.02 -0.11 -5.02 118.70 119.10 3gny s GLU 13 Ca 0.00 -1.42 0.08 0.00 0.02 0.00 0.00 54.97 53.65 3gny s GLU 13 Cb 0.00 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 3gny s GLU 13 CO 0.00 0.26 -0.16 1.03 0.02 0.00 0.00 175.26 176.41 3gny s ARG 14 N -3.78 1.34 -0.31 1.61 1.81 -0.28 -4.76 118.95 114.60 3gny s ARG 14 Ca 0.34 -1.54 -0.22 0.00 -1.72 0.00 0.00 55.73 52.60 3gny s ARG 14 Cb -0.05 -1.25 -0.01 0.00 -0.45 0.00 0.00 34.95 33.19 3gny s ARG 14 CO 0.22 0.23 0.69 0.50 -0.68 0.00 0.00 175.30 176.26 3gny s ARG 15 N -3.33 3.92 0.00 3.54 3.52 -1.26 -1.40 118.95 123.95 3gny s ARG 15 Ca 0.21 0.41 0.12 0.00 -0.13 0.00 0.00 55.73 56.33 3gny s ARG 15 Cb -0.03 -3.73 0.06 0.00 -1.56 0.00 0.00 34.95 29.69 3gny s ARG 15 CO 0.08 -0.62 0.81 0.66 -0.81 0.00 0.00 175.30 175.42 3gny n TYR 16 N 6.01 0.00 -2.27 5.12 4.01 0.36 -5.01 117.16 125.38 3gny n TYR 16 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3gny n TYR 16 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3gny n TYR 16 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gny n GLY 17 N 0.75 -0.61 2.87 2.72 0.00 -1.11 -4.99 105.19 104.81 3gny n GLY 17 Ca 0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 3gny n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gny s THR 18 N -3.27 -0.00 -0.04 2.61 2.01 -1.26 -1.05 115.64 114.64 3gny s THR 18 Ca 0.00 0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.01 3gny s THR 18 Cb 0.00 -0.02 -0.03 0.00 0.01 0.00 0.00 72.50 72.46 3gny s THR 18 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.94 3gny s ILE 20 N -0.99 2.05 0.02 0.00 1.01 -1.26 -1.08 121.20 120.95 3gny s ILE 20 Ca 0.17 -1.30 -0.28 0.00 0.00 0.00 0.00 60.65 59.24 3gny s ILE 20 Cb -0.11 -2.05 0.07 0.00 0.01 0.00 0.00 42.46 40.38 3gny s ILE 20 CO 0.07 0.21 0.67 -0.72 0.00 0.00 0.00 174.94 175.17 3gny s TYR 21 N 1.21 -0.59 -1.41 3.97 1.13 -0.68 -4.93 117.35 116.06 3gny s TYR 21 Ca -0.03 0.77 -0.05 0.00 -1.41 0.00 0.00 57.07 56.36 3gny s TYR 21 Cb -0.17 0.47 0.03 0.00 -1.10 0.00 0.00 41.96 41.19 3gny s TYR 21 CO -0.08 -0.68 0.39 1.04 -2.51 0.00 0.00 175.55 173.71 3gny n GLN 22 N 0.38 -3.59 -1.32 -3.49 1.13 -1.26 -1.34 117.38 107.88 3gny n GLN 22 Ca -0.17 0.73 -0.11 0.00 -1.94 0.00 0.00 57.00 55.50 3gny n GLN 22 Cb 0.60 -5.47 -0.05 0.00 0.11 0.00 0.00 30.24 25.43 3gny n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gny n GLY 23 N -1.23 1.21 3.25 1.08 0.00 -1.26 -5.00 105.19 103.25 3gny n GLY 23 Ca -0.10 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 3gny n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gny s ARG 24 N -2.85 1.05 -0.16 1.61 0.52 -0.45 -5.14 118.95 113.53 3gny s ARG 24 Ca 0.00 -1.26 -0.07 0.00 -0.52 0.00 0.00 55.73 53.88 3gny s ARG 24 Cb 0.00 -0.95 -0.04 0.00 0.52 0.00 0.00 34.95 34.47 3gny s ARG 24 CO 0.00 0.18 0.10 -0.51 0.02 0.00 0.00 175.30 175.09 3gny s LEU 25 N -2.48 4.08 0.05 2.53 1.43 -1.26 -1.69 118.68 121.34 3gny s LEU 25 Ca 0.10 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 3gny s LEU 25 Cb -0.05 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3gny s LEU 25 CO 0.03 0.27 -0.14 0.26 0.23 0.00 0.00 176.35 177.01 3gny s TRP 26 N -0.21 1.21 0.22 0.29 0.52 -0.24 -4.92 118.94 115.81 3gny s TRP 26 Ca 0.09 -0.38 -0.30 0.00 0.02 0.00 0.00 56.10 55.54 3gny s TRP 26 Cb -0.12 -0.71 -0.08 0.00 -1.15 0.00 0.00 33.47 31.41 3gny s TRP 26 CO 0.01 0.04 1.11 0.00 0.02 0.00 0.00 176.95 178.13 3gny s ALA 27 N -0.94 3.39 -0.36 0.98 0.00 -0.11 -0.72 121.76 124.01 3gny s ALA 27 Ca 0.01 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 52.69 3gny s ALA 27 Cb -0.08 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3gny s ALA 27 CO 0.01 -0.20 0.27 0.12 0.00 0.00 0.00 175.76 175.96 3gny s PHE 28 N -0.58 3.23 -0.08 0.00 5.36 -0.21 0.02 117.98 125.72 3gny s PHE 28 Ca 0.48 -0.28 0.04 0.00 -0.96 0.00 0.00 56.93 56.20 3gny s PHE 28 Cb -0.31 -2.52 -0.01 0.00 -0.34 0.00 0.00 43.02 39.84 3gny s PHE 28 CO 0.37 -0.42 -0.21 0.00 -1.46 0.00 0.00 175.22 173.50