#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k7b s PRO 12 N -2.17 0.90 0.31 0.00 0.02 -1.26 -4.89 135.00 127.91 1k7b s PRO 12 Ca 0.07 1.35 -0.28 0.00 0.02 0.00 0.00 61.00 62.16 1k7b s PRO 12 Cb -0.01 -1.73 -0.13 0.00 0.02 0.00 0.00 34.50 32.65 1k7b s PRO 12 CO 0.05 -2.65 1.17 -2.30 -0.33 0.00 0.00 177.00 172.94 1k7b n PRO 13 N -4.23 1.77 -1.74 5.54 -0.02 -1.26 -2.07 135.00 132.99 1k7b n PRO 13 Ca 0.10 0.62 -0.15 0.00 -2.02 0.00 0.00 63.50 62.05 1k7b n PRO 13 Cb 0.53 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1k7b n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k7b n GLY 14 N 1.03 0.92 2.95 -1.23 0.00 -1.26 -5.01 105.19 102.59 1k7b n GLY 14 Ca 0.07 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.80 1.33 0.32 1.61 -0.21 -0.88 -0.51 119.66 117.52 1k7b s GLN 15 Ca 0.00 -0.27 0.07 0.00 0.02 0.00 0.00 55.36 55.18 1k7b s GLN 15 Cb 0.00 -1.21 -0.06 0.00 1.00 0.00 0.00 33.01 32.74 1k7b s GLN 15 CO 0.00 -0.06 -0.05 -0.59 -2.12 0.00 0.00 175.29 172.47 1k7b s PHE 16 N 0.92 2.14 0.02 0.91 -0.71 -0.35 -4.32 117.98 116.59 1k7b s PHE 16 Ca -0.10 -0.67 0.01 0.00 -1.04 0.00 0.00 56.93 55.12 1k7b s PHE 16 Cb -0.15 -1.28 -0.04 0.00 -1.21 0.00 0.00 43.02 40.34 1k7b s PHE 16 CO 0.01 0.35 0.07 -0.98 -1.34 0.00 0.00 175.22 173.33 1k7b s ARG 17 N -3.71 2.98 0.00 1.99 1.70 -1.26 -0.45 118.95 120.20 1k7b s ARG 17 Ca 0.32 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 55.02 1k7b s ARG 17 Cb 0.05 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.63 1k7b s ARG 17 CO 0.14 0.62 0.00 0.00 -1.08 0.00 0.00 175.30 174.98 1k7b n SER 19 N -0.06 5.44 -3.64 0.00 3.41 -1.26 -4.76 113.62 112.74 1k7b n SER 19 Ca 0.00 -3.04 -0.17 0.00 -0.26 0.00 0.00 58.87 55.40 1k7b n SER 19 Cb 0.00 -0.71 -0.15 0.00 -0.26 0.00 0.00 64.21 63.09 1k7b n SER 19 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1k7b s GLU 20 N -2.86 0.06 0.94 4.33 2.12 -1.26 -5.12 118.70 116.91 1k7b s GLU 20 Ca 0.55 0.51 -0.13 0.00 0.36 0.00 0.00 54.97 56.26 1k7b s GLU 20 Cb 0.43 -0.43 0.16 0.00 0.26 0.00 0.00 34.13 34.55 1k7b s GLU 20 CO 0.15 -0.36 1.15 -1.25 -0.54 0.00 0.00 175.26 174.41 1k7b s PRO 21 N 2.30 0.87 1.07 4.30 0.04 -1.26 -4.96 135.00 137.37 1k7b s PRO 21 Ca 0.03 0.19 -0.16 0.00 0.04 0.00 0.00 61.00 61.11 1k7b s PRO 21 Cb -0.13 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 32.71 1k7b s PRO 21 CO -0.07 -2.36 0.30 -2.30 0.04 0.00 0.00 177.00 172.62 1k7b n PRO 22 N -3.86 -1.30 -0.07 0.56 -0.02 -1.26 -3.26 135.00 125.79 1k7b n PRO 22 Ca 0.08 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1k7b n PRO 22 Cb 0.59 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1k7b n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k7b n GLY 23 N 1.66 2.02 2.61 -1.23 0.00 -1.26 -4.89 105.19 104.11 1k7b n GLY 23 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 0.35 3.11 -0.29 4.61 0.00 -1.20 -5.04 120.51 122.04 1k7b n ALA 24 Ca 0.00 -3.74 0.16 0.00 0.00 0.00 0.00 53.44 49.87 1k7b n ALA 24 Cb 0.00 -0.87 0.42 0.00 0.00 0.00 0.00 19.45 19.00 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 5.50 0.78 0.00 0.00 -0.00 -1.90 -3.44 115.15 116.08 1k7b h HIS 25 Ca 0.22 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1k7b h HIS 25 Cb 0.84 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 1k7b h HIS 25 CO 0.45 0.20 0.00 0.41 -0.00 0.00 0.00 177.93 178.99 1k7b n GLY 26 N -1.44 2.63 3.31 2.45 0.00 -1.26 -4.86 105.19 106.02 1k7b n GLY 26 Ca 0.21 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 1k7b n GLY 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k7b s GLU 27 N 0.00 1.18 0.39 1.61 -1.05 -1.26 -5.17 118.70 114.39 1k7b s GLU 27 Ca 0.00 -1.34 0.02 0.00 -0.15 0.00 0.00 54.97 53.50 1k7b s GLU 27 Cb 0.00 0.34 -0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1k7b s GLU 27 CO 0.00 -0.42 0.06 0.00 0.95 0.00 0.00 175.26 175.85 1k7b s TYR 29 N -2.69 0.23 0.61 0.00 2.02 0.41 -4.97 117.35 112.96 1k7b s TYR 29 Ca 0.08 -0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 56.00 1k7b s TYR 29 Cb 0.00 -0.15 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1k7b s TYR 29 CO 0.06 -0.42 1.32 -2.14 -1.57 0.00 0.00 175.55 172.80 1k7b s PRO 30 N -3.11 2.78 0.00 -1.71 0.02 -1.26 -1.21 135.00 130.51 1k7b s PRO 30 Ca -0.01 2.12 0.25 0.00 0.02 0.00 0.00 61.00 63.39 1k7b s PRO 30 Cb 0.02 -2.00 1.43 0.00 0.02 0.00 0.00 34.50 33.96 1k7b s PRO 30 CO -0.07 -1.43 1.85 1.04 -0.33 0.00 0.00 177.00 178.06 1k7b n GLN 31 N -1.57 0.66 -0.05 5.54 6.02 0.33 -1.03 117.38 127.28 1k7b n GLN 31 Ca 0.14 0.02 0.01 0.00 -0.01 0.00 0.00 57.00 57.16 1k7b n GLN 31 Cb 0.47 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.56 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 0.58 -0.84 1.08 3.58 -1.91 -2.76 116.42 116.15 1k7b h ASP 32 Ca 0.00 -0.05 -0.47 0.00 0.42 0.00 0.00 57.03 56.93 1k7b h ASP 32 Cb 0.07 -0.15 -0.19 0.00 1.72 0.00 0.00 39.33 40.78 1k7b h ASP 32 CO 0.00 0.50 0.55 0.79 -2.88 0.00 0.00 179.24 178.20 1k7b n TRP 33 N -4.39 2.00 -3.74 0.28 7.02 -0.19 -4.03 117.44 114.39 1k7b n TRP 33 Ca 0.04 -2.20 -0.29 0.00 -1.02 0.00 0.00 57.50 54.02 1k7b n TRP 33 Cb 0.12 -1.18 -0.16 0.00 -2.42 0.00 0.00 31.31 27.68 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 -2.47 1.67 -0.93 -0.99 2.96 -1.04 -4.79 118.68 113.08 1k7b s LEU 34 Ca 0.46 -1.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.10 1k7b s LEU 34 Cb 0.35 -0.73 -0.01 0.00 0.50 0.00 0.00 46.19 46.29 1k7b s LEU 34 CO -0.09 -0.35 0.75 0.00 -1.32 0.00 0.00 176.35 175.34 1k7b n ASP 36 N -2.43 0.54 0.00 0.00 2.03 -1.26 -4.92 116.55 110.50 1k7b n ASP 36 Ca -0.10 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1k7b n ASP 36 Cb 0.58 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 1.39 0.71 3.01 0.27 0.00 -1.26 -5.03 105.19 104.28 1k7b n GLY 37 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.51 -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 -0.03 -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 0.00 174.74 171.91 1k7b s PRO 39 N 2.19 3.24 0.00 2.88 0.05 -1.26 -4.81 135.00 137.28 1k7b s PRO 39 Ca -0.01 1.36 0.00 0.00 0.05 0.00 0.00 61.00 62.41 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 -0.90 0.10 -3.47 0.05 0.00 0.00 177.00 172.70 1k7b n ASP 40 N -1.85 0.00 -0.02 6.66 -0.08 -1.26 -4.91 116.55 115.08 1k7b n ASP 40 Ca 0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.38 1k7b n ASP 40 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1k7b n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k7b n ASP 42 N -0.47 0.00 0.00 0.00 2.03 -1.26 -4.12 116.55 112.72 1k7b n ASP 42 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1k7b n ASP 42 Cb 0.01 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 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 0.36 -0.59 1.67 -0.08 -1.26 -5.01 116.55 111.64 1k7b n ASP 43 Ca 0.00 -0.67 -0.08 0.00 -1.51 0.00 0.00 54.79 52.53 1k7b n ASP 43 Cb 0.00 0.46 -0.03 0.00 2.34 0.00 0.00 41.12 43.89 1k7b n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k7b n GLY 44 N 0.46 0.90 0.00 0.27 0.00 -1.26 -4.90 105.19 100.66 1k7b n GLY 44 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.77 0.84 0.07 1.61 1.85 -1.26 -1.47 116.66 116.53 1k7b n ARG 45 Ca -0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.71 1k7b n ARG 45 Cb 0.38 -1.15 -0.08 0.00 -1.05 0.00 0.00 32.46 30.55 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 0.75 2.89 2.03 -1.90 -3.33 116.42 116.86 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 0.94 -1.05 -0.33 -1.03 0.00 0.00 179.24 177.77 1k7b h GLU 47 N 0.00 0.15 -6.13 4.15 4.39 -1.57 -0.98 114.58 114.59 1k7b h GLU 47 Ca -0.01 -0.23 -0.58 0.00 0.34 0.00 0.00 59.36 58.88 1k7b h GLU 47 Cb 1.68 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.40 1k7b h GLU 47 CO 0.12 1.06 1.37 -1.58 -1.16 0.00 0.00 179.01 178.83 1k7b s TRP 48 N -2.83 1.46 0.00 4.33 0.52 -1.23 -1.68 118.94 119.50 1k7b s TRP 48 Ca -0.02 0.50 0.00 0.00 0.02 0.00 0.00 56.10 56.60 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 0.84 -3.73 0.00 0.41 0.02 0.00 0.00 176.95 174.50 1k7b n GLY 49 N 5.48 1.08 2.32 0.98 0.00 -1.26 -4.31 105.19 109.47 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