#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 -1.52 -2.04 0.00 -0.02 -1.26 -4.94 135.00 125.22 1k7b n PRO 12 Ca 0.00 -0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 60.71 1k7b n PRO 12 Cb 0.00 -2.21 0.01 0.00 -0.02 0.00 0.00 33.50 31.29 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 -4.39 3.46 -1.59 0.52 0.04 -1.26 -2.58 135.00 129.19 1k7b s PRO 13 Ca 0.67 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1k7b s PRO 13 Cb -0.24 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1k7b s PRO 13 CO 0.63 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1k7b n GLY 14 N 0.57 1.29 3.01 0.56 0.00 -1.26 -5.02 105.19 104.34 1k7b n GLY 14 Ca 0.09 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.53 0.96 0.25 1.61 -0.21 -1.07 -0.64 119.66 117.03 1k7b s GLN 15 Ca 0.00 -0.31 0.04 0.00 0.02 0.00 0.00 55.36 55.11 1k7b s GLN 15 Cb 0.00 -0.89 -0.05 0.00 1.00 0.00 0.00 33.01 33.06 1k7b s GLN 15 CO 0.00 0.12 0.00 -0.59 -2.12 0.00 0.00 175.29 172.70 1k7b s PHE 16 N 0.15 1.64 -0.00 0.91 -0.71 -0.32 -4.21 117.98 115.45 1k7b s PHE 16 Ca -0.03 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 54.96 1k7b s PHE 16 Cb -0.08 -0.96 -0.04 0.00 -1.21 0.00 0.00 43.02 40.73 1k7b s PHE 16 CO 0.00 -0.02 -0.00 -0.98 -1.34 0.00 0.00 175.22 172.89 1k7b s ARG 17 N -3.86 2.78 0.00 1.99 1.70 -1.26 -0.43 118.95 119.87 1k7b s ARG 17 Ca 0.30 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 1k7b s ARG 17 Cb 0.06 -2.66 0.00 0.00 -0.57 0.00 0.00 34.95 31.77 1k7b s ARG 17 CO 0.10 0.63 0.00 0.00 -1.08 0.00 0.00 175.30 174.95 1k7b n SER 19 N -0.13 2.29 -3.72 0.00 7.64 -1.26 -4.90 113.62 113.53 1k7b n SER 19 Ca 0.00 -3.87 -0.18 0.00 1.01 0.00 0.00 58.87 55.83 1k7b n SER 19 Cb 0.00 -0.53 -0.17 0.00 -1.01 0.00 0.00 64.21 62.50 1k7b n SER 19 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1k7b s GLU 20 N -3.29 -0.05 0.94 1.43 2.12 -1.26 -5.12 118.70 113.46 1k7b s GLU 20 Ca 0.41 0.29 -0.12 0.00 0.36 0.00 0.00 54.97 55.91 1k7b s GLU 20 Cb 0.38 -0.40 0.15 0.00 0.26 0.00 0.00 34.13 34.53 1k7b s GLU 20 CO -0.04 -0.25 1.10 -1.25 -0.54 0.00 0.00 175.26 174.27 1k7b s PRO 21 N 1.66 0.94 1.05 4.30 0.04 -1.26 -4.99 135.00 136.74 1k7b s PRO 21 Ca -0.02 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 61.52 1k7b s PRO 21 Cb -0.12 -1.79 0.22 0.00 0.04 0.00 0.00 34.50 32.85 1k7b s PRO 21 CO -0.03 -2.41 1.07 -1.25 0.04 0.00 0.00 177.00 174.42 1k7b s PRO 22 N -5.00 -0.03 0.00 0.56 0.04 -1.26 -3.32 135.00 125.98 1k7b s PRO 22 Ca 0.64 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1k7b s PRO 22 Cb -0.18 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1k7b s PRO 22 CO 0.57 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.92 1k7b n GLY 23 N -0.29 2.45 2.61 0.56 0.00 -1.26 -4.87 105.19 104.39 1k7b n GLY 23 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 0.18 3.62 -0.33 4.61 0.00 -1.21 -5.02 120.51 122.37 1k7b n ALA 24 Ca 0.00 -4.48 0.12 0.00 0.00 0.00 0.00 53.44 49.08 1k7b n ALA 24 Cb 0.00 -0.94 0.33 0.00 0.00 0.00 0.00 19.45 18.84 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 4.77 0.98 -0.19 0.00 -0.00 -1.90 -3.44 115.15 115.39 1k7b h HIS 25 Ca 0.17 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1k7b h HIS 25 Cb 0.73 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1k7b h HIS 25 CO 0.66 0.29 0.00 0.41 -0.00 0.00 0.00 177.93 179.29 1k7b n GLY 26 N -1.37 0.98 3.15 2.45 0.00 -1.26 -4.54 105.19 104.60 1k7b n GLY 26 Ca 0.21 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 2.17 1.44 1.61 0.41 -1.26 -5.10 118.70 117.97 1k7b s GLU 27 Ca 0.00 -1.59 -0.23 0.00 -0.41 0.00 0.00 54.97 52.73 1k7b s GLU 27 Cb 0.00 -3.44 0.37 0.00 -1.78 0.00 0.00 34.13 29.28 1k7b s GLU 27 CO 0.00 -0.90 0.85 0.00 -0.49 0.00 0.00 175.26 174.72 1k7b s TYR 29 N -2.13 0.21 0.62 0.00 2.02 0.42 -4.96 117.35 113.53 1k7b s TYR 29 Ca 0.65 -0.57 -0.19 0.00 -0.37 0.00 0.00 57.07 56.59 1k7b s TYR 29 Cb -0.13 -0.13 -0.02 0.00 -0.40 0.00 0.00 41.96 41.28 1k7b s TYR 29 CO 0.56 -0.44 1.30 -2.30 -1.57 0.00 0.00 175.55 173.09 1k7b n PRO 30 N 0.38 1.27 0.00 -1.71 -0.02 -1.26 -1.17 135.00 132.49 1k7b n PRO 30 Ca -0.17 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1k7b n PRO 30 Cb 0.60 -2.53 0.73 0.00 -0.02 0.00 0.00 33.50 32.29 1k7b n PRO 30 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1k7b n GLN 31 N -1.60 0.69 -0.02 -0.52 6.02 0.19 -1.11 117.38 121.03 1k7b n GLN 31 Ca 0.14 0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.17 1k7b n GLN 31 Cb 0.47 -1.50 0.36 0.00 1.02 0.00 0.00 30.24 30.59 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 0.51 -0.76 1.08 3.58 -1.91 -2.76 116.42 116.16 1k7b h ASP 32 Ca 0.00 -0.05 -0.46 0.00 0.42 0.00 0.00 57.03 56.95 1k7b h ASP 32 Cb 0.06 -0.13 -0.19 0.00 1.72 0.00 0.00 39.33 40.79 1k7b h ASP 32 CO 0.00 0.46 0.56 0.79 -2.88 0.00 0.00 179.24 178.17 1k7b n TRP 33 N -4.39 2.03 -3.76 0.28 7.02 -0.27 -4.06 117.44 114.30 1k7b n TRP 33 Ca 0.03 -2.25 -0.29 0.00 -1.02 0.00 0.00 57.50 53.97 1k7b n TRP 33 Cb 0.13 -1.16 -0.16 0.00 -2.42 0.00 0.00 31.31 27.71 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 1.78 -0.90 -0.99 2.96 -1.04 -4.80 118.68 113.21 1k7b s LEU 34 Ca 0.45 -1.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.08 1k7b s LEU 34 Cb 0.34 -0.78 -0.01 0.00 0.50 0.00 0.00 46.19 46.24 1k7b s LEU 34 CO -0.06 -0.34 0.73 0.00 -1.32 0.00 0.00 176.35 175.36 1k7b n ASP 36 N -2.37 0.62 0.00 0.00 2.03 -1.26 -4.93 116.55 110.65 1k7b n ASP 36 Ca -0.11 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1k7b n ASP 36 Cb 0.58 -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 1.36 0.72 3.09 0.27 0.00 -1.26 -5.04 105.19 104.34 1k7b n GLY 37 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.45 -0.46 0.59 1.61 5.04 -1.26 -5.17 115.29 113.19 1k7b s HIS 38 Ca 0.00 1.03 -0.16 0.00 -1.54 0.00 0.00 55.06 54.38 1k7b s HIS 38 Cb 0.00 0.08 -0.04 0.00 0.04 0.00 0.00 32.58 32.66 1k7b s HIS 38 CO 0.00 -0.33 1.07 -1.25 -2.34 0.00 0.00 174.74 171.89 1k7b s PRO 39 N 1.89 3.28 0.00 2.88 0.04 -1.26 -4.81 135.00 137.02 1k7b s PRO 39 Ca -0.04 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1k7b s PRO 39 Cb -0.11 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1k7b s PRO 39 CO -0.10 -0.85 0.00 -0.25 0.04 0.00 0.00 177.00 175.84 1k7b n ASP 40 N -1.98 0.00 0.00 6.66 8.00 -1.26 -4.92 116.55 123.05 1k7b n ASP 40 Ca 0.09 -0.82 0.01 0.00 0.71 0.00 0.00 54.79 54.78 1k7b n ASP 40 Cb 0.53 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.68 1k7b n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k7b n ASP 42 N -0.54 0.00 0.00 0.00 2.03 -1.26 -4.27 116.55 112.52 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 0.01 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 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 -0.60 1.67 2.03 -1.26 -5.01 116.55 113.79 1k7b n ASP 43 Ca 0.00 -0.74 -0.08 0.00 0.52 0.00 0.00 54.79 54.49 1k7b n ASP 43 Cb 0.00 0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.64 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 0.28 0.91 0.00 0.27 0.00 -1.26 -4.89 105.19 100.49 1k7b n GLY 44 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.42 116.66 116.57 1k7b n ARG 45 Ca -0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.72 1k7b n ARG 45 Cb 0.38 -1.17 -0.06 0.00 -1.05 0.00 0.00 32.46 30.57 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 0.73 2.89 2.03 -1.90 -3.32 116.42 116.85 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 0.90 -1.11 -0.33 -1.03 0.00 0.00 179.24 177.67 1k7b h GLU 47 N 0.00 0.18 -6.10 4.15 4.39 -1.55 -1.16 114.58 114.48 1k7b h GLU 47 Ca -0.01 -0.28 -0.58 0.00 0.34 0.00 0.00 59.36 58.83 1k7b h GLU 47 Cb 1.62 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.36 1k7b h GLU 47 CO 0.12 1.11 1.40 -1.58 -1.16 0.00 0.00 179.01 178.90 1k7b s TRP 48 N -2.77 1.39 0.00 4.33 0.52 -1.23 -1.41 118.94 119.77 1k7b s TRP 48 Ca -0.02 0.50 0.00 0.00 0.02 0.00 0.00 56.10 56.59 1k7b s TRP 48 Cb 0.08 -4.01 0.00 0.00 -1.15 0.00 0.00 33.47 28.40 1k7b s TRP 48 CO 0.86 -3.82 0.00 0.41 0.02 0.00 0.00 176.95 174.41 1k7b n GLY 49 N 5.53 0.72 2.28 0.98 0.00 -1.26 -4.28 105.19 109.16 1k7b n GLY 49 Ca 0.27 0.00 -0.06 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