#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqh s LEU 3 N -3.08 3.94 0.00 0.00 1.43 -0.38 -4.68 118.68 115.90 1kqh s LEU 3 Ca 0.19 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1kqh s LEU 3 Cb 0.07 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1kqh s LEU 3 CO -0.00 0.12 0.00 0.00 0.23 0.00 0.00 176.35 176.70 1kqh n ALA 4 N 3.92 0.00 -2.03 4.21 0.00 -1.26 0.26 120.51 125.61 1kqh n ALA 4 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1kqh n ALA 4 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1kqh n ALA 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1kqh s GLU 5 N -0.33 4.26 -1.27 0.00 1.03 -1.26 -2.80 118.70 118.32 1kqh s GLU 5 Ca 0.00 2.24 -0.07 0.00 0.03 0.00 0.00 54.97 57.17 1kqh s GLU 5 Cb 0.00 -3.23 0.01 0.00 -0.80 0.00 0.00 34.13 30.11 1kqh s GLU 5 CO 0.00 -0.55 1.10 0.00 -1.33 0.00 0.00 175.26 174.48 1kqh n ALA 6 N 4.11 -1.33 -2.82 -0.84 0.00 0.25 -4.99 120.51 114.90 1kqh n ALA 6 Ca 0.13 0.33 -0.35 0.00 0.00 0.00 0.00 53.44 53.56 1kqh n ALA 6 Cb 0.40 -4.91 -0.10 0.00 0.00 0.00 0.00 19.45 14.84 1kqh n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kqh s ALA 7 N -3.31 3.37 0.27 0.00 0.00 -0.80 -4.84 121.76 116.45 1kqh s ALA 7 Ca 0.49 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 51.39 1kqh s ALA 7 Cb -0.22 -1.80 -0.12 0.00 0.00 0.00 0.00 23.12 20.98 1kqh s ALA 7 CO 0.69 0.29 1.53 -3.47 0.00 0.00 0.00 175.76 174.80 1kqh n ASP 8 N 3.18 3.46 -4.12 0.00 -0.08 -1.26 0.54 116.55 118.27 1kqh n ASP 8 Ca -0.17 1.14 -0.24 0.00 -1.51 0.00 0.00 54.79 54.01 1kqh n ASP 8 Cb 0.53 -1.53 -0.16 0.00 2.34 0.00 0.00 41.12 42.30 1kqh n ASP 8 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kqh s SER 10 N -0.15 7.06 0.35 0.00 0.01 -1.26 -4.32 113.70 115.39 1kqh s SER 10 Ca 0.01 1.29 0.08 0.00 1.31 0.00 0.00 55.95 58.64 1kqh s SER 10 Cb -0.09 -2.37 0.78 0.00 0.21 0.00 0.00 66.02 64.55 1kqh s SER 10 CO 0.01 0.22 1.88 1.55 0.41 0.00 0.00 173.24 177.30 1kqh h PRO 11 N 4.25 0.71 0.00 12.44 0.13 -1.97 -3.40 132.00 144.16 1kqh h PRO 11 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1kqh h PRO 11 Cb 1.21 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1kqh h PRO 11 CO 0.64 0.47 0.00 0.91 -0.23 0.00 0.00 178.00 179.79 1kqh n TRP 12 N -4.55 -1.96 -1.36 1.56 8.01 -1.26 -4.93 117.44 112.94 1kqh n TRP 12 Ca 0.17 0.35 -0.39 0.00 -1.31 0.00 0.00 57.50 56.32 1kqh n TRP 12 Cb 0.43 0.47 -0.02 0.00 -2.01 0.00 0.00 31.31 30.18 1kqh n TRP 12 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1kqh n SER 13 N -3.42 4.92 -3.52 -0.99 7.64 -1.26 -4.82 113.62 112.16 1kqh n SER 13 Ca 0.00 -2.67 -0.15 0.00 1.01 0.00 0.00 58.87 57.07 1kqh n SER 13 Cb 0.00 -1.44 -0.05 0.00 -1.01 0.00 0.00 64.21 61.71 1kqh n SER 13 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1kqh s GLY 14 N 3.36 -0.50 0.61 0.23 0.00 -1.26 -4.76 107.32 105.01 1kqh s GLY 14 Ca 0.54 1.39 -0.19 0.00 0.00 0.00 0.00 44.72 46.45 1kqh s GLY 14 CO -0.03 0.84 1.32 0.99 0.00 0.00 0.00 173.10 176.22 1kqh s ASP 15 N -1.44 4.82 0.39 1.64 1.01 -1.26 -4.84 116.67 117.00 1kqh s ASP 15 Ca -0.06 2.69 -0.23 0.00 0.71 0.00 0.00 52.55 55.65 1kqh s ASP 15 Cb -0.00 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 1kqh s ASP 15 CO 0.04 -1.86 0.97 -0.44 0.21 0.00 0.00 175.17 174.08 1kqh s SER 16 N -1.22 7.02 0.36 0.27 0.01 -1.25 -4.62 113.70 114.28 1kqh s SER 16 Ca 0.79 1.80 -0.28 0.00 1.31 0.00 0.00 55.95 59.57 1kqh s SER 16 Cb -0.39 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.18 1kqh s SER 16 CO 0.43 -0.30 1.36 0.00 0.41 0.00 0.00 173.24 175.14 1kqh s LYS 19 N -2.47 4.35 -0.48 0.00 -0.14 -1.26 -0.02 119.74 119.72 1kqh s LYS 19 Ca 0.61 1.17 0.01 0.00 -1.36 0.00 0.00 55.97 56.40 1kqh s LYS 19 Cb -0.40 -2.44 0.50 0.00 -1.68 0.00 0.00 37.83 33.81 1kqh s LYS 19 CO 0.51 0.10 1.91 -0.35 -0.76 0.00 0.00 175.35 176.76 1kqh n PRO 20 N -0.15 2.27 -1.63 -1.68 -0.04 -1.26 -5.11 135.00 127.39 1kqh n PRO 20 Ca 0.05 -2.75 -0.31 0.00 -0.04 0.00 0.00 63.50 60.45 1kqh n PRO 20 Cb 0.52 -2.08 0.05 0.00 -0.04 0.00 0.00 33.50 31.96 1kqh n PRO 20 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1kqh s TYR 21 N -3.11 3.13 -0.02 0.54 1.51 0.97 -4.05 117.35 116.32 1kqh s TYR 21 Ca 0.53 1.30 -0.02 0.00 -1.01 0.00 0.00 57.07 57.87 1kqh s TYR 21 Cb 0.43 -2.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.35 1kqh s TYR 21 CO 0.05 -1.29 0.06 -1.17 -1.11 0.00 0.00 175.55 172.09 1kqh s LEU 22 N -5.54 1.76 0.18 -1.29 2.96 -0.61 -4.63 118.68 111.52 1kqh s LEU 22 Ca 0.58 0.11 -0.31 0.00 -0.22 0.00 0.00 54.13 54.29 1kqh s LEU 22 Cb -0.13 0.23 -0.09 0.00 0.50 0.00 0.00 46.19 46.69 1kqh s LEU 22 CO 0.54 -0.04 1.41 0.00 -1.32 0.00 0.00 176.35 176.94 1kqh s SER 24 N 0.71 3.17 -0.70 0.00 1.04 -0.41 -4.86 113.70 112.65 1kqh s SER 24 Ca 0.62 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 56.53 1kqh s SER 24 Cb -0.39 -1.44 0.30 0.00 0.10 0.00 0.00 66.02 64.59 1kqh s SER 24 CO 0.36 0.14 1.02 0.00 0.98 0.00 0.00 173.24 175.74 1kqh n ILE 26 N 0.35 1.37 -1.65 0.00 -5.35 -1.26 -4.52 119.36 108.30 1kqh n ILE 26 Ca 0.32 -0.64 -0.20 0.00 -0.27 0.00 0.00 62.75 61.96 1kqh n ILE 26 Cb 0.38 -1.65 -0.08 0.00 -1.74 0.00 0.00 39.64 36.55 1kqh n ILE 26 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1kqh n PHE 27 N 2.56 -0.10 -4.21 4.28 3.01 -1.26 -4.95 117.46 116.77 1kqh n PHE 27 Ca 0.17 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.45 1kqh n PHE 27 Cb 0.41 -3.46 -0.15 0.00 -0.01 0.00 0.00 39.48 36.27 1kqh n PHE 27 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1kqh s PHE 28 N -2.75 0.65 -0.04 1.38 0.40 -1.26 -5.14 117.98 111.23 1kqh s PHE 28 Ca 0.00 -0.14 -0.18 0.00 -0.60 0.00 0.00 56.93 56.00 1kqh s PHE 28 Cb 0.00 -0.49 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 1kqh s PHE 28 CO 0.00 -0.08 0.52 -0.47 0.70 0.00 0.00 175.22 175.89 1kqh s TYR 29 N 0.25 3.64 0.52 0.36 5.04 -1.26 -3.97 117.35 121.92 1kqh s TYR 29 Ca -0.03 1.05 0.06 0.00 -2.44 0.00 0.00 57.07 55.71 1kqh s TYR 29 Cb -0.07 -2.52 0.04 0.00 0.35 0.00 0.00 41.96 39.76 1kqh s TYR 29 CO -0.00 0.35 0.71 -1.25 -1.34 0.00 0.00 175.55 174.03 1kqh s PRO 30 N -0.12 2.53 0.37 4.97 0.04 -1.26 -5.15 135.00 136.38 1kqh s PRO 30 Ca 0.28 -1.19 -0.24 0.00 0.04 0.00 0.00 61.00 59.89 1kqh s PRO 30 Cb -0.17 -2.62 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 1kqh s PRO 30 CO 0.14 -0.63 0.97 0.00 0.04 0.00 0.00 177.00 177.52 1kqh s SER 32 N -1.76 -0.32 0.14 0.00 1.04 -0.64 -0.65 113.70 111.51 1kqh s SER 32 Ca 0.55 0.62 -0.31 0.00 0.48 0.00 0.00 55.95 57.28 1kqh s SER 32 Cb -0.17 0.59 -0.09 0.00 0.10 0.00 0.00 66.02 66.45 1kqh s SER 32 CO 0.22 -0.12 1.49 0.00 0.98 0.00 0.00 173.24 175.80 1kqh s ARG 34 N 1.14 1.72 0.92 0.00 1.81 0.41 0.87 118.95 125.83 1kqh s ARG 34 Ca 0.68 -1.78 -0.11 0.00 -1.72 0.00 0.00 55.73 52.80 1kqh s ARG 34 Cb -0.41 -1.78 0.13 0.00 -0.45 0.00 0.00 34.95 32.44 1kqh s ARG 34 CO 0.31 0.31 1.01 -0.35 -0.68 0.00 0.00 175.30 175.89 1kqh n PRO 35 N -0.66 -0.41 -2.28 3.54 -0.04 -1.26 -1.57 135.00 132.33 1kqh n PRO 35 Ca -0.05 -0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 1kqh n PRO 35 Cb 0.60 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.77 1kqh n PRO 35 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1kqh n LYS 36 N -3.73 2.81 0.00 0.54 4.81 -1.26 -2.99 118.16 118.34 1kqh n LYS 36 Ca 0.11 -2.97 0.00 0.00 -0.87 0.00 0.00 58.31 54.58 1kqh n LYS 36 Cb 0.52 -3.47 0.00 0.00 0.02 0.00 0.00 35.03 32.10 1kqh n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kqh n GLY 37 N 5.19 0.00 0.00 3.14 0.00 -1.26 -5.09 105.19 107.17 1kqh n GLY 37 Ca 0.49 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.66 1kqh n GLY 37 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65