#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 -2.31 1.30 0.27 0.00 0.02 -1.26 -4.88 135.00 128.14 1k7b s PRO 12 Ca 0.13 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 1k7b s PRO 12 Cb -0.01 -1.77 -0.14 0.00 0.02 0.00 0.00 34.50 32.61 1k7b s PRO 12 CO 0.09 -2.41 1.22 -2.30 -0.33 0.00 0.00 177.00 173.28 1k7b n PRO 13 N -4.06 1.71 -1.29 5.54 -0.02 -1.26 -1.94 135.00 133.67 1k7b n PRO 13 Ca 0.11 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1k7b n PRO 13 Cb 0.52 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.54 1.11 2.96 -1.23 0.00 -1.26 -5.03 105.19 103.27 1k7b n GLY 14 Ca 0.10 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.84 1.33 0.32 1.61 -0.21 -0.82 -0.55 119.66 118.50 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 -1.20 -0.06 0.00 1.00 0.00 0.00 33.01 32.75 1k7b s GLN 15 CO 0.00 -0.05 -0.03 -0.59 -2.12 0.00 0.00 175.29 172.50 1k7b s PHE 16 N 0.90 2.14 0.02 0.91 -0.71 -0.36 -4.35 117.98 116.53 1k7b s PHE 16 Ca -0.11 -0.70 0.01 0.00 -1.04 0.00 0.00 56.93 55.09 1k7b s PHE 16 Cb -0.15 -1.31 -0.04 0.00 -1.21 0.00 0.00 43.02 40.32 1k7b s PHE 16 CO 0.01 0.32 0.05 -0.98 -1.34 0.00 0.00 175.22 173.28 1k7b s ARG 17 N -3.73 2.90 0.00 1.99 1.70 -1.26 -0.43 118.95 120.11 1k7b s ARG 17 Ca 0.32 -0.60 0.00 0.00 -0.47 0.00 0.00 55.73 54.98 1k7b s ARG 17 Cb 0.05 -2.75 0.00 0.00 -0.57 0.00 0.00 34.95 31.69 1k7b s ARG 17 CO 0.14 0.61 0.00 0.00 -1.08 0.00 0.00 175.30 174.98 1k7b n SER 19 N -0.05 4.01 -3.66 0.00 3.41 -1.26 -4.81 113.62 111.27 1k7b n SER 19 Ca 0.00 -3.28 -0.17 0.00 -0.26 0.00 0.00 58.87 55.16 1k7b n SER 19 Cb 0.00 -0.66 -0.16 0.00 -0.26 0.00 0.00 64.21 63.14 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 -3.00 0.03 0.95 4.33 2.56 -1.26 -5.13 118.70 117.18 1k7b s GLU 20 Ca 0.49 0.53 -0.13 0.00 0.00 0.00 0.00 54.97 55.86 1k7b s GLU 20 Cb 0.40 -0.34 0.16 0.00 2.00 0.00 0.00 34.13 36.35 1k7b s GLU 20 CO 0.09 -0.33 1.13 -1.25 -0.56 0.00 0.00 175.26 174.35 1k7b s PRO 21 N 2.29 0.86 1.08 4.30 0.04 -1.26 -4.96 135.00 137.34 1k7b s PRO 21 Ca 0.03 0.30 -0.16 0.00 0.04 0.00 0.00 61.00 61.22 1k7b s PRO 21 Cb -0.12 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.74 1k7b s PRO 21 CO -0.06 -2.39 0.35 -2.30 0.04 0.00 0.00 177.00 172.65 1k7b n PRO 22 N -3.90 -1.36 0.00 0.56 -0.02 -1.26 -3.26 135.00 125.76 1k7b n PRO 22 Ca 0.07 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 1k7b n PRO 22 Cb 0.59 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.61 2.20 2.55 -1.23 0.00 -1.26 -4.86 105.19 104.20 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 0.27 3.28 -0.29 4.61 0.00 -1.20 -5.03 120.51 122.14 1k7b n ALA 24 Ca 0.00 -4.06 0.17 0.00 0.00 0.00 0.00 53.44 49.55 1k7b n ALA 24 Cb 0.00 -0.90 0.44 0.00 0.00 0.00 0.00 19.45 18.99 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 4.95 0.74 -0.20 0.00 -0.00 -1.89 -3.44 115.15 115.31 1k7b h HIS 25 Ca 0.18 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1k7b h HIS 25 Cb 0.79 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 1k7b h HIS 25 CO 0.54 0.18 0.00 0.41 -0.00 0.00 0.00 177.93 179.06 1k7b n GLY 26 N -1.45 1.00 2.89 2.45 0.00 -1.26 -4.69 105.19 104.13 1k7b n GLY 26 Ca 0.21 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1k7b n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k7b s GLU 27 N 0.00 1.44 1.15 1.61 2.02 -1.26 -5.14 118.70 118.52 1k7b s GLU 27 Ca 0.00 -0.61 -0.19 0.00 0.02 0.00 0.00 54.97 54.19 1k7b s GLU 27 Cb 0.00 -2.14 0.29 0.00 0.10 0.00 0.00 34.13 32.38 1k7b s GLU 27 CO 0.00 -0.47 0.95 0.00 0.02 0.00 0.00 175.26 175.76 1k7b s TYR 29 N -2.66 0.29 0.60 0.00 2.02 0.43 -4.97 117.35 113.07 1k7b s TYR 29 Ca 0.63 -0.69 -0.20 0.00 -0.37 0.00 0.00 57.07 56.45 1k7b s TYR 29 Cb -0.07 -0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.25 1k7b s TYR 29 CO 0.49 -0.39 1.31 -2.14 -1.57 0.00 0.00 175.55 173.26 1k7b s PRO 30 N -3.16 2.84 0.00 -1.71 0.02 -1.26 -1.22 135.00 130.50 1k7b s PRO 30 Ca -0.00 2.11 0.25 0.00 0.02 0.00 0.00 61.00 63.38 1k7b s PRO 30 Cb 0.02 -2.02 1.43 0.00 0.02 0.00 0.00 34.50 33.95 1k7b s PRO 30 CO -0.07 -1.39 1.85 1.04 -0.33 0.00 0.00 177.00 178.09 1k7b n GLN 31 N -1.51 0.67 -0.06 5.54 6.02 0.28 -1.02 117.38 127.30 1k7b n GLN 31 Ca 0.13 0.02 0.02 0.00 -0.01 0.00 0.00 57.00 57.15 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 0.60 -0.86 1.08 3.58 -1.91 -2.73 116.42 116.18 1k7b h ASP 32 Ca 0.00 -0.05 -0.48 0.00 0.42 0.00 0.00 57.03 56.93 1k7b h ASP 32 Cb 0.06 -0.15 -0.19 0.00 1.72 0.00 0.00 39.33 40.77 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 -4.40 1.99 -3.72 0.28 7.02 -0.18 -4.01 117.44 114.42 1k7b n TRP 33 Ca 0.04 -2.20 -0.29 0.00 -1.02 0.00 0.00 57.50 54.04 1k7b n TRP 33 Cb 0.11 -1.19 -0.16 0.00 -2.42 0.00 0.00 31.31 27.65 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 -2.48 1.53 -0.93 -0.99 2.96 -1.03 -4.79 118.68 112.95 1k7b s LEU 34 Ca 0.47 -1.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.14 1k7b s LEU 34 Cb 0.35 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 46.34 1k7b s LEU 34 CO -0.10 -0.35 0.73 0.00 -1.32 0.00 0.00 176.35 175.31 1k7b n ASP 36 N -2.42 0.54 0.00 0.00 2.03 -1.26 -4.92 116.55 110.53 1k7b n ASP 36 Ca -0.11 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1k7b n ASP 36 Cb 0.59 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 1.38 0.72 3.02 0.27 0.00 -1.26 -5.03 105.19 104.29 1k7b n GLY 37 Ca 0.06 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 -2.53 -0.41 0.60 1.61 5.04 -1.26 -5.17 115.29 113.17 1k7b s HIS 38 Ca 0.00 0.95 -0.16 0.00 -1.54 0.00 0.00 55.06 54.31 1k7b s HIS 38 Cb 0.00 -0.02 -0.03 0.00 0.04 0.00 0.00 32.58 32.57 1k7b s HIS 38 CO 0.00 -0.34 1.09 -1.25 -2.34 0.00 0.00 174.74 171.90 1k7b s PRO 39 N 2.25 3.16 0.00 2.88 0.05 -1.26 -4.82 135.00 137.26 1k7b s PRO 39 Ca -0.00 1.34 0.00 0.00 0.05 0.00 0.00 61.00 62.38 1k7b s PRO 39 Cb -0.12 -2.00 0.00 0.00 0.05 0.00 0.00 34.50 32.43 1k7b s PRO 39 CO -0.09 -0.96 0.10 -3.47 0.05 0.00 0.00 177.00 172.64 1k7b n ASP 40 N -2.01 0.00 -0.02 6.66 -0.08 -1.26 -4.92 116.55 114.92 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 -4.21 116.55 112.64 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 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 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 -0.50 1.67 2.03 -1.26 -5.01 116.55 113.89 1k7b n ASP 43 Ca 0.00 -0.73 -0.07 0.00 0.52 0.00 0.00 54.79 54.52 1k7b n ASP 43 Cb 0.00 0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.32 0.81 0.00 0.27 0.00 -1.26 -4.89 105.19 100.44 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 -1.76 0.81 0.08 1.61 1.85 -1.26 -1.43 116.66 116.55 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 -1.16 -0.08 0.00 -1.05 0.00 0.00 32.46 30.52 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 0.70 2.89 2.03 -1.90 -3.33 116.42 116.81 1k7b h ASP 46 Ca 0.00 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.06 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 -1.08 -0.33 -1.03 0.00 0.00 179.24 177.71 1k7b h GLU 47 N 0.00 0.19 -6.13 4.15 4.39 -1.56 -0.95 114.58 114.67 1k7b h GLU 47 Ca -0.01 -0.29 -0.58 0.00 0.34 0.00 0.00 59.36 58.83 1k7b h GLU 47 Cb 1.67 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.41 1k7b h GLU 47 CO 0.12 1.10 1.38 -1.58 -1.16 0.00 0.00 179.01 178.86 1k7b s TRP 48 N -2.83 1.45 0.00 4.33 0.52 -1.23 -1.56 118.94 119.63 1k7b s TRP 48 Ca -0.03 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 -3.75 0.00 0.41 0.02 0.00 0.00 176.95 174.49 1k7b n GLY 49 N 5.48 1.28 2.82 0.98 0.00 -1.26 -4.36 105.19 110.12 1k7b n GLY 49 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1k7b n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32