#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 -2.18 4.37 0.00 0.00 1.43 -0.19 -4.56 118.68 117.56 1kqh s LEU 3 Ca 0.52 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1kqh s LEU 3 Cb -0.22 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1kqh s LEU 3 CO 0.28 -0.27 0.00 0.00 0.23 0.00 0.00 176.35 176.59 1kqh n ALA 4 N 3.88 0.00 -2.04 4.21 0.00 -1.26 -0.09 120.51 125.21 1kqh n ALA 4 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1kqh n ALA 4 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.22 4.25 -1.13 0.00 1.03 -1.26 -2.65 118.70 117.73 1kqh s GLU 5 Ca 0.00 2.22 -0.05 0.00 0.03 0.00 0.00 54.97 57.17 1kqh s GLU 5 Cb 0.00 -3.33 0.01 0.00 -0.80 0.00 0.00 34.13 30.00 1kqh s GLU 5 CO 0.00 -0.58 0.67 0.00 -1.33 0.00 0.00 175.26 174.02 1kqh n ALA 6 N 4.50 -0.86 -2.71 -0.84 0.00 0.31 -4.97 120.51 115.95 1kqh n ALA 6 Ca 0.13 0.26 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 1kqh n ALA 6 Cb 0.41 -3.67 -0.08 0.00 0.00 0.00 0.00 19.45 16.10 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 -3.13 3.64 0.65 0.00 0.00 -0.79 -4.81 121.76 117.32 1kqh s ALA 7 Ca 0.33 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 1kqh s ALA 7 Cb -0.15 -2.29 -0.00 0.00 0.00 0.00 0.00 23.12 20.68 1kqh s ALA 7 CO 0.41 0.02 1.14 0.16 0.00 0.00 0.00 175.76 177.49 1kqh s ASP 8 N 0.62 5.00 0.00 0.00 1.47 -1.26 0.69 116.67 123.19 1kqh s ASP 8 Ca 0.10 2.13 0.00 0.00 1.18 0.00 0.00 52.55 55.96 1kqh s ASP 8 Cb -0.12 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.89 1kqh s ASP 8 CO 0.02 -1.71 0.00 0.00 0.68 0.00 0.00 175.17 174.16 1kqh s SER 10 N -0.94 -0.92 0.48 0.00 0.15 -1.24 -2.77 113.70 108.46 1kqh s SER 10 Ca 0.00 1.51 0.20 0.00 0.70 0.00 0.00 55.95 58.36 1kqh s SER 10 Cb 0.00 1.40 1.20 0.00 -1.71 0.00 0.00 66.02 66.91 1kqh s SER 10 CO 0.00 -0.24 2.02 -0.65 1.20 0.00 0.00 173.24 175.57 1kqh h PRO 11 N 6.76 0.00 0.00 5.44 0.11 -1.98 -2.02 132.00 140.31 1kqh h PRO 11 Ca -0.30 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.73 1kqh h PRO 11 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1kqh h PRO 11 CO 0.15 0.17 -0.39 -1.49 -0.21 0.00 0.00 178.00 176.23 1kqh h TRP 12 N 0.00 0.00 -0.77 0.65 6.55 -2.05 -3.45 115.95 116.87 1kqh h TRP 12 Ca -0.00 0.00 0.21 0.00 0.95 0.00 0.00 58.89 60.05 1kqh h TRP 12 Cb 0.35 0.00 -0.30 0.00 -0.86 0.00 0.00 29.16 28.35 1kqh h TRP 12 CO 0.00 0.39 0.59 0.45 -1.05 0.00 0.00 178.44 178.82 1kqh s SER 13 N -6.39 -0.16 0.00 -3.49 0.15 -0.76 -5.18 113.70 97.87 1kqh s SER 13 Ca 0.04 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1kqh s SER 13 Cb 0.07 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1kqh s SER 13 CO 0.72 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.74 1kqh n GLY 14 N 3.84 2.49 3.73 9.45 0.00 -1.19 -3.63 105.19 119.87 1kqh n GLY 14 Ca -0.13 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1kqh n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kqh s ASP 15 N 0.00 3.79 0.35 1.61 1.01 -1.26 -4.88 116.67 117.29 1kqh s ASP 15 Ca 0.00 1.77 -0.25 0.00 0.71 0.00 0.00 52.55 54.78 1kqh s ASP 15 Cb 0.00 -2.42 -0.10 0.00 1.01 0.00 0.00 42.92 41.41 1kqh s ASP 15 CO 0.00 -2.48 0.95 -0.44 0.21 0.00 0.00 175.17 173.41 1kqh s SER 16 N -3.25 7.23 0.43 0.27 0.01 -1.26 -4.74 113.70 112.40 1kqh s SER 16 Ca 0.63 1.81 -0.23 0.00 1.31 0.00 0.00 55.95 59.47 1kqh s SER 16 Cb -0.19 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.39 1kqh s SER 16 CO 0.57 -0.15 1.08 0.00 0.41 0.00 0.00 173.24 175.16 1kqh s LYS 19 N -2.06 4.65 -0.74 0.00 -2.85 -1.26 0.63 119.74 118.11 1kqh s LYS 19 Ca 0.53 1.53 -0.01 0.00 -1.00 0.00 0.00 55.97 57.02 1kqh s LYS 19 Cb -0.43 -3.05 0.40 0.00 -2.06 0.00 0.00 37.83 32.68 1kqh s LYS 19 CO 0.58 0.30 1.98 -0.35 0.10 0.00 0.00 175.35 177.96 1kqh n PRO 20 N 1.00 2.77 -2.78 1.78 -0.04 -1.26 -5.08 135.00 131.40 1kqh n PRO 20 Ca 0.00 -3.48 -0.34 0.00 -0.04 0.00 0.00 63.50 59.64 1kqh n PRO 20 Cb 0.47 -2.28 -0.07 0.00 -0.04 0.00 0.00 33.50 31.59 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 -3.94 3.38 -0.04 0.54 2.02 0.21 -4.12 117.35 115.40 1kqh s TYR 21 Ca 0.57 1.65 0.03 0.00 -0.37 0.00 0.00 57.07 58.96 1kqh s TYR 21 Cb 0.47 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.13 1kqh s TYR 21 CO -0.23 -0.10 -0.14 -1.17 -1.57 0.00 0.00 175.55 172.34 1kqh s LEU 22 N -2.90 1.84 -0.25 -1.29 2.96 -0.67 -4.62 118.68 113.76 1kqh s LEU 22 Ca 0.59 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.92 1kqh s LEU 22 Cb -0.12 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 1kqh s LEU 22 CO 0.17 0.11 1.31 0.00 -1.32 0.00 0.00 176.35 176.62 1kqh s SER 24 N 2.64 6.92 -0.77 0.00 1.04 0.70 -4.72 113.70 119.50 1kqh s SER 24 Ca 0.57 1.13 0.03 0.00 0.48 0.00 0.00 55.95 58.15 1kqh s SER 24 Cb -0.19 -2.44 0.30 0.00 0.10 0.00 0.00 66.02 63.79 1kqh s SER 24 CO 0.21 -0.40 1.15 0.00 0.98 0.00 0.00 173.24 175.18 1kqh n ILE 26 N 0.39 1.48 -1.65 0.00 -5.35 -1.26 -4.53 119.36 108.45 1kqh n ILE 26 Ca 0.33 -0.66 -0.19 0.00 -0.27 0.00 0.00 62.75 61.95 1kqh n ILE 26 Cb 0.36 -1.63 -0.07 0.00 -1.74 0.00 0.00 39.64 36.56 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 2.44 -0.10 -4.27 4.28 3.01 -1.26 -4.97 117.46 116.59 1kqh n PHE 27 Ca 0.17 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.43 1kqh n PHE 27 Cb 0.44 -3.30 -0.16 0.00 -0.01 0.00 0.00 39.48 36.44 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 -2.74 0.83 -0.07 1.38 0.40 -1.26 -5.13 117.98 111.39 1kqh s PHE 28 Ca 0.00 -0.23 -0.18 0.00 -0.60 0.00 0.00 56.93 55.93 1kqh s PHE 28 Cb 0.00 -0.66 -0.05 0.00 0.51 0.00 0.00 43.02 42.82 1kqh s PHE 28 CO 0.00 -0.15 0.47 -0.47 0.70 0.00 0.00 175.22 175.78 1kqh s TYR 29 N 0.56 3.60 0.61 0.36 5.04 -1.26 -3.84 117.35 122.42 1kqh s TYR 29 Ca -0.08 0.96 0.02 0.00 -2.44 0.00 0.00 57.07 55.53 1kqh s TYR 29 Cb -0.12 -2.48 0.08 0.00 0.35 0.00 0.00 41.96 39.79 1kqh s TYR 29 CO 0.01 0.33 0.85 -1.25 -1.34 0.00 0.00 175.55 174.15 1kqh s PRO 30 N 0.00 2.18 0.72 4.97 0.04 -1.26 -5.16 135.00 136.49 1kqh s PRO 30 Ca 0.26 -1.05 -0.11 0.00 0.04 0.00 0.00 61.00 60.14 1kqh s PRO 30 Cb -0.16 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 31.94 1kqh s PRO 30 CO 0.12 -1.00 1.09 0.00 0.04 0.00 0.00 177.00 177.25 1kqh s SER 32 N -4.27 0.01 0.05 0.00 1.04 -0.58 0.15 113.70 110.10 1kqh s SER 32 Ca 0.58 0.62 -0.31 0.00 0.48 0.00 0.00 55.95 57.33 1kqh s SER 32 Cb -0.12 0.64 -0.08 0.00 0.10 0.00 0.00 66.02 66.56 1kqh s SER 32 CO 0.52 -0.21 1.63 0.00 0.98 0.00 0.00 173.24 176.17 1kqh s ARG 34 N 2.75 2.34 0.61 0.00 1.81 0.58 0.12 118.95 127.16 1kqh s ARG 34 Ca 0.73 -0.92 -0.18 0.00 -1.72 0.00 0.00 55.73 53.64 1kqh s ARG 34 Cb -0.38 -2.42 -0.03 0.00 -0.45 0.00 0.00 34.95 31.67 1kqh s ARG 34 CO 0.32 0.53 1.22 -1.25 -0.68 0.00 0.00 175.30 175.43 1kqh s PRO 35 N -2.16 2.87 0.35 3.54 0.04 -1.26 -1.66 135.00 136.72 1kqh s PRO 35 Ca 0.23 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 1kqh s PRO 35 Cb -0.11 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1kqh s PRO 35 CO 0.15 -1.29 0.98 0.21 0.04 0.00 0.00 177.00 177.08 1kqh s LYS 36 N -3.39 4.44 0.00 4.56 2.47 -1.26 -4.12 119.74 122.45 1kqh s LYS 36 Ca 0.78 1.37 0.00 0.00 -1.56 0.00 0.00 55.97 56.55 1kqh s LYS 36 Cb -0.31 -2.68 0.00 0.00 -1.46 0.00 0.00 37.83 33.38 1kqh s LYS 36 CO 0.35 0.14 0.00 0.41 0.16 0.00 0.00 175.35 176.41 1kqh n GLY 37 N 0.39 2.50 0.25 5.54 0.00 -1.26 -5.06 105.19 107.55 1kqh n GLY 37 Ca 0.03 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.94 1kqh n GLY 37 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11