#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k7b n PRO 12 N 0.00 -1.57 -2.04 0.00 -0.02 -1.26 -4.98 135.00 125.13 1k7b n PRO 12 Ca 0.00 -0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 60.71 1k7b n PRO 12 Cb 0.00 -2.26 0.03 0.00 -0.02 0.00 0.00 33.50 31.25 1k7b n PRO 12 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1k7b s PRO 13 N -4.49 3.12 -1.37 0.52 0.04 -1.26 -2.85 135.00 128.71 1k7b s PRO 13 Ca 0.68 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1k7b s PRO 13 Cb -0.24 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1k7b s PRO 13 CO 0.62 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1k7b n GLY 14 N 0.50 1.35 2.90 0.56 0.00 -1.26 -5.01 105.19 104.23 1k7b n GLY 14 Ca 0.12 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1k7b n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k7b s GLN 15 N -3.02 0.94 0.31 1.61 -0.21 -1.13 -0.65 119.66 117.51 1k7b s GLN 15 Ca 0.00 -0.13 0.08 0.00 0.02 0.00 0.00 55.36 55.32 1k7b s GLN 15 Cb 0.00 -0.94 -0.06 0.00 1.00 0.00 0.00 33.01 33.01 1k7b s GLN 15 CO 0.00 -0.09 -0.07 -0.59 -2.12 0.00 0.00 175.29 172.42 1k7b s PHE 16 N 0.99 2.16 -0.05 0.91 -0.71 -0.23 -3.84 117.98 117.20 1k7b s PHE 16 Ca -0.10 -0.62 -0.01 0.00 -1.04 0.00 0.00 56.93 55.15 1k7b s PHE 16 Cb -0.14 -1.26 -0.04 0.00 -1.21 0.00 0.00 43.02 40.37 1k7b s PHE 16 CO -0.00 0.40 0.03 -0.98 -1.34 0.00 0.00 175.22 173.34 1k7b s ARG 17 N -3.68 3.01 0.00 1.99 1.70 -1.26 -0.49 118.95 120.21 1k7b s ARG 17 Ca 0.31 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.13 1k7b s ARG 17 Cb 0.04 -2.82 0.00 0.00 -0.57 0.00 0.00 34.95 31.59 1k7b s ARG 17 CO 0.14 0.68 0.00 0.00 -1.08 0.00 0.00 175.30 175.04 1k7b n SER 19 N -0.16 2.40 -3.67 0.00 2.88 -1.26 -4.87 113.62 108.94 1k7b n SER 19 Ca 0.00 -3.84 -0.20 0.00 -1.33 0.00 0.00 58.87 53.50 1k7b n SER 19 Cb 0.00 -0.58 -0.18 0.00 -0.75 0.00 0.00 64.21 62.71 1k7b n SER 19 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1k7b s GLU 20 N -3.29 -0.07 0.95 -1.46 2.56 -1.26 -5.13 118.70 111.01 1k7b s GLU 20 Ca 0.43 0.40 -0.12 0.00 0.00 0.00 0.00 54.97 55.67 1k7b s GLU 20 Cb 0.39 -0.48 0.16 0.00 2.00 0.00 0.00 34.13 36.20 1k7b s GLU 20 CO -0.03 -0.33 1.10 -1.25 -0.56 0.00 0.00 175.26 174.20 1k7b s PRO 21 N 2.17 0.81 1.06 4.30 0.04 -1.26 -4.96 135.00 137.16 1k7b s PRO 21 Ca 0.05 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 61.49 1k7b s PRO 21 Cb -0.12 -1.78 0.22 0.00 0.04 0.00 0.00 34.50 32.86 1k7b s PRO 21 CO -0.03 -2.47 1.07 -1.25 0.04 0.00 0.00 177.00 174.35 1k7b s PRO 22 N -5.04 -0.04 0.00 0.56 0.04 -1.26 -3.19 135.00 126.07 1k7b s PRO 22 Ca 0.64 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1k7b s PRO 22 Cb -0.17 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1k7b s PRO 22 CO 0.56 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.88 1k7b n GLY 23 N -0.05 2.57 2.55 0.56 0.00 -1.26 -4.88 105.19 104.68 1k7b n GLY 23 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1k7b n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k7b n ALA 24 N 0.14 3.24 -0.31 4.61 0.00 -1.19 -5.04 120.51 121.96 1k7b n ALA 24 Ca 0.00 -4.00 0.16 0.00 0.00 0.00 0.00 53.44 49.60 1k7b n ALA 24 Cb 0.00 -0.89 0.41 0.00 0.00 0.00 0.00 19.45 18.97 1k7b n ALA 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k7b h HIS 25 N 5.01 0.84 -0.11 0.00 -0.00 -1.90 -3.44 115.15 115.55 1k7b h HIS 25 Ca 0.18 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1k7b h HIS 25 Cb 0.80 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1k7b h HIS 25 CO 0.52 0.19 0.00 0.41 -0.00 0.00 0.00 177.93 179.05 1k7b n GLY 26 N -1.41 1.02 2.84 2.45 0.00 -1.26 -4.70 105.19 104.13 1k7b n GLY 26 Ca 0.22 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1k7b n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k7b s GLU 27 N 0.00 1.16 1.22 1.61 2.12 -1.26 -5.14 118.70 118.40 1k7b s GLU 27 Ca 0.00 -0.47 -0.21 0.00 0.36 0.00 0.00 54.97 54.66 1k7b s GLU 27 Cb 0.00 -1.97 0.30 0.00 0.26 0.00 0.00 34.13 32.72 1k7b s GLU 27 CO 0.00 -0.49 1.10 0.00 -0.54 0.00 0.00 175.26 175.33 1k7b s TYR 29 N -3.00 0.27 0.60 0.00 2.02 0.36 -4.96 117.35 112.64 1k7b s TYR 29 Ca 0.71 -0.67 -0.20 0.00 -0.37 0.00 0.00 57.07 56.55 1k7b s TYR 29 Cb -0.07 -0.19 -0.03 0.00 -0.40 0.00 0.00 41.96 41.27 1k7b s TYR 29 CO 0.54 -0.40 1.32 -2.14 -1.57 0.00 0.00 175.55 173.31 1k7b s PRO 30 N -3.17 2.80 0.00 -1.71 0.02 -1.26 -1.07 135.00 130.60 1k7b s PRO 30 Ca -0.00 2.14 0.26 0.00 0.02 0.00 0.00 61.00 63.42 1k7b s PRO 30 Cb 0.02 -2.02 1.47 0.00 0.02 0.00 0.00 34.50 34.00 1k7b s PRO 30 CO -0.07 -1.43 1.89 1.04 -0.33 0.00 0.00 177.00 178.10 1k7b n GLN 31 N -1.53 0.68 -0.07 5.54 6.02 0.17 -1.01 117.38 127.18 1k7b n GLN 31 Ca 0.14 0.01 0.01 0.00 -0.01 0.00 0.00 57.00 57.15 1k7b n GLN 31 Cb 0.47 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.53 1k7b n GLN 31 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1k7b h ASP 32 N 0.00 0.62 -0.74 1.08 3.58 -1.91 -2.80 116.42 116.25 1k7b h ASP 32 Ca 0.00 -0.06 -0.43 0.00 0.42 0.00 0.00 57.03 56.96 1k7b h ASP 32 Cb 0.07 -0.16 -0.17 0.00 1.72 0.00 0.00 39.33 40.79 1k7b h ASP 32 CO 0.00 0.54 0.50 0.79 -2.88 0.00 0.00 179.24 178.19 1k7b n TRP 33 N -4.37 1.84 -3.74 0.28 7.02 -0.18 -3.96 117.44 114.33 1k7b n TRP 33 Ca 0.04 -2.13 -0.29 0.00 -1.02 0.00 0.00 57.50 54.10 1k7b n TRP 33 Cb 0.14 -1.14 -0.16 0.00 -2.42 0.00 0.00 31.31 27.73 1k7b n TRP 33 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1k7b s LEU 34 N -2.26 1.75 -0.88 -0.99 2.96 -1.06 -4.80 118.68 113.41 1k7b s LEU 34 Ca 0.43 -1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.02 1k7b s LEU 34 Cb 0.32 -0.75 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 1k7b s LEU 34 CO -0.07 -0.36 0.72 0.00 -1.32 0.00 0.00 176.35 175.31 1k7b n ASP 36 N -2.32 0.70 0.00 0.00 2.03 -1.25 -4.93 116.55 110.77 1k7b n ASP 36 Ca -0.11 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1k7b n ASP 36 Cb 0.58 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1k7b n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k7b n GLY 37 N 1.34 0.73 3.00 0.27 0.00 -1.26 -5.04 105.19 104.24 1k7b n GLY 37 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1k7b n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1k7b s HIS 38 N -2.50 -0.39 0.59 1.61 5.04 -1.26 -5.17 115.29 113.20 1k7b s HIS 38 Ca 0.00 0.92 -0.17 0.00 -1.54 0.00 0.00 55.06 54.27 1k7b s HIS 38 Cb 0.00 -0.04 -0.04 0.00 0.04 0.00 0.00 32.58 32.55 1k7b s HIS 38 CO 0.00 -0.33 1.08 -1.25 -2.34 0.00 0.00 174.74 171.90 1k7b s PRO 39 N 2.23 3.26 0.00 2.88 0.05 -1.26 -4.81 135.00 137.34 1k7b s PRO 39 Ca -0.00 1.36 0.00 0.00 0.05 0.00 0.00 61.00 62.40 1k7b s PRO 39 Cb -0.12 -2.01 0.00 0.00 0.05 0.00 0.00 34.50 32.42 1k7b s PRO 39 CO -0.08 -0.88 0.10 -3.47 0.05 0.00 0.00 177.00 172.72 1k7b n ASP 40 N -1.83 0.00 0.00 6.66 2.03 -1.26 -4.91 116.55 117.23 1k7b n ASP 40 Ca 0.10 -1.00 0.01 0.00 0.52 0.00 0.00 54.79 54.41 1k7b n ASP 40 Cb 0.52 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.96 1k7b n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k7b n ASP 42 N -0.53 0.00 0.00 0.00 2.03 -1.26 -4.24 116.55 112.55 1k7b n ASP 42 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1k7b n ASP 42 Cb 0.00 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 1k7b n ASP 42 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1k7b n ASP 43 N 0.00 0.42 -0.51 1.67 2.03 -1.26 -5.01 116.55 113.89 1k7b n ASP 43 Ca 0.00 -0.75 -0.07 0.00 0.52 0.00 0.00 54.79 54.49 1k7b n ASP 43 Cb 0.00 0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.63 1k7b n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k7b n GLY 44 N 0.26 0.82 0.00 0.27 0.00 -1.26 -4.90 105.19 100.39 1k7b n GLY 44 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.79 1k7b n GLY 44 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k7b n ARG 45 N -1.80 0.84 0.08 1.61 1.85 -1.26 -1.50 116.66 116.47 1k7b n ARG 45 Ca -0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.73 1k7b n ARG 45 Cb 0.35 -1.14 -0.07 0.00 -1.05 0.00 0.00 32.46 30.54 1k7b n ARG 45 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 1k7b h ASP 46 N 0.00 0.00 0.72 2.89 2.03 -1.90 -3.32 116.42 116.84 1k7b h ASP 46 Ca 0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 1k7b h ASP 46 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1k7b h ASP 46 CO 0.00 0.92 -1.06 -0.33 -1.03 0.00 0.00 179.24 177.73 1k7b h GLU 47 N 0.00 0.17 -6.13 4.15 4.39 -1.58 -0.99 114.58 114.59 1k7b h GLU 47 Ca -0.01 -0.26 -0.58 0.00 0.34 0.00 0.00 59.36 58.85 1k7b h GLU 47 Cb 1.65 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.38 1k7b h GLU 47 CO 0.12 1.08 1.38 -1.58 -1.16 0.00 0.00 179.01 178.85 1k7b s TRP 48 N -2.83 1.45 0.00 4.33 0.52 -1.23 -1.60 118.94 119.57 1k7b s TRP 48 Ca -0.02 0.49 0.00 0.00 0.02 0.00 0.00 56.10 56.59 1k7b s TRP 48 Cb 0.09 -4.02 0.00 0.00 -1.15 0.00 0.00 33.47 28.39 1k7b s TRP 48 CO 0.85 -3.76 0.00 0.41 0.02 0.00 0.00 176.95 174.47 1k7b n GLY 49 N 5.47 1.35 2.18 0.98 0.00 -1.26 -4.37 105.19 109.54 1k7b n GLY 49 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 1k7b n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32