#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 -2.12 4.26 0.00 0.00 1.43 0.82 -4.65 118.68 118.42 1kqh s LEU 3 Ca -0.03 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 1kqh s LEU 3 Cb -0.01 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1kqh s LEU 3 CO -0.04 -0.40 0.00 0.00 0.23 0.00 0.00 176.35 176.14 1kqh n ALA 4 N 4.81 0.00 -2.14 4.21 0.00 -1.26 -0.00 120.51 126.13 1kqh n ALA 4 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1kqh n ALA 4 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.50 4.30 -1.02 0.00 1.03 -1.26 -2.72 118.70 117.53 1kqh s GLU 5 Ca 0.00 2.11 -0.07 0.00 0.03 0.00 0.00 54.97 57.05 1kqh s GLU 5 Cb 0.00 -3.25 0.01 0.00 -0.80 0.00 0.00 34.13 30.09 1kqh s GLU 5 CO 0.00 -0.47 0.89 0.00 -1.33 0.00 0.00 175.26 174.36 1kqh n ALA 6 N 4.00 -1.01 -3.19 -0.84 0.00 0.28 -4.96 120.51 114.79 1kqh n ALA 6 Ca 0.12 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 1kqh n ALA 6 Cb 0.42 -4.23 -0.13 0.00 0.00 0.00 0.00 19.45 15.51 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 -3.24 2.93 0.19 0.00 0.00 -0.79 -4.86 121.76 115.98 1kqh s ALA 7 Ca 0.43 -1.01 -0.32 0.00 0.00 0.00 0.00 51.96 51.06 1kqh s ALA 7 Cb -0.19 -1.68 -0.11 0.00 0.00 0.00 0.00 23.12 21.15 1kqh s ALA 7 CO 0.55 -0.15 1.64 -0.51 0.00 0.00 0.00 175.76 177.30 1kqh s ASP 8 N 1.00 6.48 0.49 0.00 1.01 -1.26 0.28 116.67 124.67 1kqh s ASP 8 Ca 0.01 2.74 -0.16 0.00 0.71 0.00 0.00 52.55 55.85 1kqh s ASP 8 Cb -0.15 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.11 1kqh s ASP 8 CO 0.01 -0.90 0.94 0.00 0.21 0.00 0.00 175.17 175.43 1kqh s SER 10 N -3.05 7.28 0.04 0.00 0.01 -1.26 -4.59 113.70 112.13 1kqh s SER 10 Ca 0.58 1.67 -0.27 0.00 1.31 0.00 0.00 55.95 59.24 1kqh s SER 10 Cb -0.10 -2.57 -0.17 0.00 0.21 0.00 0.00 66.02 63.39 1kqh s SER 10 CO 0.30 -0.37 1.43 1.55 0.41 0.00 0.00 173.24 176.57 1kqh h PRO 11 N 6.94 -0.40 0.00 12.44 0.13 -1.95 -3.36 132.00 145.80 1kqh h PRO 11 Ca -0.37 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1kqh h PRO 11 Cb 1.19 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1kqh h PRO 11 CO 0.80 -0.14 -0.00 -1.49 -0.23 0.00 0.00 178.00 176.94 1kqh h TRP 12 N -0.63 -0.00 -1.15 1.56 6.55 -2.05 -3.49 115.95 116.74 1kqh h TRP 12 Ca -0.04 -0.00 0.21 0.00 0.95 0.00 0.00 58.89 60.00 1kqh h TRP 12 Cb 0.45 0.00 -0.27 0.00 -0.86 0.00 0.00 29.16 28.47 1kqh h TRP 12 CO -0.00 0.82 0.87 0.45 -1.05 0.00 0.00 178.44 179.52 1kqh s SER 13 N -6.10 -0.10 0.00 -3.49 0.15 -1.26 -5.18 113.70 97.72 1kqh s SER 13 Ca -0.16 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1kqh s SER 13 Cb -0.02 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1kqh s SER 13 CO 0.57 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.53 1kqh n GLY 14 N 0.73 -0.76 3.78 9.45 0.00 -1.26 -4.82 105.19 112.31 1kqh n GLY 14 Ca -0.03 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.00 6.80 0.35 1.61 1.01 -1.26 -4.98 116.67 116.20 1kqh s ASP 15 Ca 0.00 2.08 -0.06 0.00 0.71 0.00 0.00 52.55 55.28 1kqh s ASP 15 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1kqh s ASP 15 CO 0.00 -0.47 0.65 -0.44 0.21 0.00 0.00 175.17 175.12 1kqh s SER 16 N -1.47 6.43 0.33 0.27 0.01 -1.26 -4.56 113.70 113.44 1kqh s SER 16 Ca 0.56 0.84 -0.29 0.00 1.31 0.00 0.00 55.95 58.37 1kqh s SER 16 Cb -0.23 -2.20 -0.10 0.00 0.21 0.00 0.00 66.02 63.69 1kqh s SER 16 CO 0.29 -0.31 1.35 0.00 0.41 0.00 0.00 173.24 174.98 1kqh s LYS 19 N -2.84 4.81 -0.67 0.00 -2.85 -1.26 0.60 119.74 117.53 1kqh s LYS 19 Ca 0.68 1.50 -0.01 0.00 -1.00 0.00 0.00 55.97 57.14 1kqh s LYS 19 Cb -0.34 -3.23 0.43 0.00 -2.06 0.00 0.00 37.83 32.63 1kqh s LYS 19 CO 0.40 0.47 1.94 -0.35 0.10 0.00 0.00 175.35 177.92 1kqh n PRO 20 N 1.37 2.80 -2.76 1.78 -0.04 -1.26 -5.12 135.00 131.77 1kqh n PRO 20 Ca -0.02 -3.45 -0.37 0.00 -0.04 0.00 0.00 63.50 59.62 1kqh n PRO 20 Cb 0.47 -2.28 -0.06 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 -3.86 3.72 -0.02 0.54 1.51 0.20 -4.16 117.35 115.28 1kqh s TYR 21 Ca 0.61 1.80 0.07 0.00 -1.01 0.00 0.00 57.07 58.54 1kqh s TYR 21 Cb 0.48 -2.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.37 1kqh s TYR 21 CO -0.10 0.20 -0.25 -1.17 -1.11 0.00 0.00 175.55 173.12 1kqh s LEU 22 N -1.93 2.05 -0.02 -1.29 2.96 -0.60 -4.53 118.68 115.32 1kqh s LEU 22 Ca 0.49 -0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 53.64 1kqh s LEU 22 Cb -0.20 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1kqh s LEU 22 CO 0.26 0.30 1.37 0.00 -1.32 0.00 0.00 176.35 176.96 1kqh s SER 24 N 1.90 5.67 -0.71 0.00 1.04 0.75 -4.87 113.70 117.48 1kqh s SER 24 Ca 0.62 0.08 0.04 0.00 0.48 0.00 0.00 55.95 57.17 1kqh s SER 24 Cb -0.30 -1.98 0.29 0.00 0.10 0.00 0.00 66.02 64.14 1kqh s SER 24 CO 0.25 0.15 1.00 0.00 0.98 0.00 0.00 173.24 175.62 1kqh n ILE 26 N 0.47 1.36 -1.69 0.00 -0.00 -1.26 -4.57 119.36 113.66 1kqh n ILE 26 Ca 0.31 -0.48 -0.19 0.00 -0.00 0.00 0.00 62.75 62.40 1kqh n ILE 26 Cb 0.38 -1.45 -0.07 0.00 -0.00 0.00 0.00 39.64 38.50 1kqh n ILE 26 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 1kqh n PHE 27 N 2.02 -0.16 -4.74 4.28 3.01 -1.26 -4.97 117.46 115.64 1kqh n PHE 27 Ca 0.08 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.29 1kqh n PHE 27 Cb 0.37 -3.30 -0.16 0.00 -0.01 0.00 0.00 39.48 36.38 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 1.52 -0.14 1.38 0.40 -1.26 -5.12 117.98 112.01 1kqh s PHE 28 Ca 0.00 -0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 55.74 1kqh s PHE 28 Cb 0.00 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 1kqh s PHE 28 CO 0.00 -0.13 0.51 -0.47 0.70 0.00 0.00 175.22 175.82 1kqh s TYR 29 N 0.01 3.47 0.61 0.36 5.04 -1.26 -3.71 117.35 121.88 1kqh s TYR 29 Ca -0.02 0.88 0.07 0.00 -2.44 0.00 0.00 57.07 55.55 1kqh s TYR 29 Cb -0.10 -2.61 0.10 0.00 0.35 0.00 0.00 41.96 39.70 1kqh s TYR 29 CO 0.01 0.08 0.85 -1.25 -1.34 0.00 0.00 175.55 173.90 1kqh s PRO 30 N 0.94 2.13 0.42 4.97 0.04 -1.26 -5.15 135.00 137.10 1kqh s PRO 30 Ca 0.26 -1.49 -0.22 0.00 0.04 0.00 0.00 61.00 59.59 1kqh s PRO 30 Cb -0.15 -2.56 -0.11 0.00 0.04 0.00 0.00 34.50 31.72 1kqh s PRO 30 CO 0.11 -1.02 0.96 0.00 0.04 0.00 0.00 177.00 177.08 1kqh s SER 32 N -2.08 0.02 0.13 0.00 1.04 -0.60 0.26 113.70 112.47 1kqh s SER 32 Ca 0.61 0.01 -0.31 0.00 0.48 0.00 0.00 55.95 56.74 1kqh s SER 32 Cb -0.11 -0.01 -0.08 0.00 0.10 0.00 0.00 66.02 65.92 1kqh s SER 32 CO 0.15 -0.02 1.36 0.00 0.98 0.00 0.00 173.24 175.71 1kqh s ARG 34 N 0.88 1.72 0.73 0.00 1.81 0.74 0.99 118.95 125.82 1kqh s ARG 34 Ca 0.63 -1.39 -0.15 0.00 -1.72 0.00 0.00 55.73 53.10 1kqh s ARG 34 Cb -0.36 -1.98 0.04 0.00 -0.45 0.00 0.00 34.95 32.19 1kqh s ARG 34 CO 0.32 0.42 1.19 -1.25 -0.68 0.00 0.00 175.30 175.30 1kqh s PRO 35 N -2.62 2.15 -0.37 3.54 0.04 -1.26 -1.55 135.00 134.93 1kqh s PRO 35 Ca 0.21 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 1kqh s PRO 35 Cb -0.09 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1kqh s PRO 35 CO 0.11 -1.81 1.26 0.21 0.04 0.00 0.00 177.00 176.81 1kqh s LYS 36 N -3.98 3.82 0.00 4.56 2.36 -1.26 -3.12 119.74 122.12 1kqh s LYS 36 Ca 0.73 1.01 0.00 0.00 -2.55 0.00 0.00 55.97 55.16 1kqh s LYS 36 Cb -0.28 -3.90 0.00 0.00 -1.05 0.00 0.00 37.83 32.60 1kqh s LYS 36 CO 0.46 -1.25 0.00 0.41 1.55 0.00 0.00 175.35 176.52 1kqh n GLY 37 N 4.54 1.30 0.62 5.54 0.00 -1.26 -5.08 105.19 110.84 1kqh n GLY 37 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1kqh n GLY 37 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11