#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 1.42 -0.42 0.56 0.00 0.02 -1.26 -4.96 135.00 130.36 1k7b s PRO 12 Ca 0.00 1.09 -0.20 0.00 0.02 0.00 0.00 61.00 61.91 1k7b s PRO 12 Cb 0.00 -1.59 -0.05 0.00 0.02 0.00 0.00 34.50 32.88 1k7b s PRO 12 CO 0.00 -3.46 1.20 -1.25 -0.33 0.00 0.00 177.00 173.16 1k7b s PRO 13 N -4.49 3.15 -1.81 5.54 0.04 -1.26 -2.79 135.00 133.39 1k7b s PRO 13 Ca 0.68 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1k7b s PRO 13 Cb -0.25 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1k7b s PRO 13 CO 0.63 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1k7b n GLY 14 N 0.47 1.42 2.86 0.56 0.00 -1.26 -5.01 105.19 104.23 1k7b n GLY 14 Ca 0.12 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.70 0.84 0.29 1.61 -0.21 -1.12 -0.60 119.66 116.77 1k7b s GLN 15 Ca 0.00 -0.07 0.09 0.00 0.02 0.00 0.00 55.36 55.40 1k7b s GLN 15 Cb 0.00 -0.94 -0.06 0.00 1.00 0.00 0.00 33.01 33.02 1k7b s GLN 15 CO 0.00 -0.15 -0.10 -0.59 -2.12 0.00 0.00 175.29 172.33 1k7b s PHE 16 N 1.24 2.14 0.02 0.91 -0.71 -0.30 -4.10 117.98 117.18 1k7b s PHE 16 Ca -0.06 -0.55 0.01 0.00 -1.04 0.00 0.00 56.93 55.29 1k7b s PHE 16 Cb -0.14 -1.15 -0.04 0.00 -1.21 0.00 0.00 43.02 40.48 1k7b s PHE 16 CO -0.02 0.47 0.08 -0.98 -1.34 0.00 0.00 175.22 173.43 1k7b s ARG 17 N -3.64 3.00 0.00 1.99 1.70 -1.26 -0.50 118.95 120.24 1k7b s ARG 17 Ca 0.30 -0.55 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 1k7b s ARG 17 Cb 0.01 -2.81 0.00 0.00 -0.57 0.00 0.00 34.95 31.58 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 0.00 2.49 -3.71 0.00 7.64 -1.26 -4.87 113.62 113.90 1k7b n SER 19 Ca 0.00 -3.84 -0.18 0.00 1.01 0.00 0.00 58.87 55.86 1k7b n SER 19 Cb 0.00 -0.58 -0.17 0.00 -1.01 0.00 0.00 64.21 62.44 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 -0.03 0.92 1.43 2.12 -1.26 -5.11 118.70 113.48 1k7b s GLU 20 Ca 0.43 0.30 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 1k7b s GLU 20 Cb 0.40 -0.44 0.14 0.00 0.26 0.00 0.00 34.13 34.49 1k7b s GLU 20 CO -0.03 -0.27 1.10 -1.25 -0.54 0.00 0.00 175.26 174.28 1k7b s PRO 21 N 1.76 1.05 1.06 4.30 0.04 -1.26 -4.98 135.00 136.96 1k7b s PRO 21 Ca -0.00 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 61.50 1k7b s PRO 21 Cb -0.12 -1.80 0.22 0.00 0.04 0.00 0.00 34.50 32.83 1k7b s PRO 21 CO -0.03 -2.32 1.07 -1.25 0.04 0.00 0.00 177.00 174.50 1k7b s PRO 22 N -5.04 -0.05 0.00 0.56 0.04 -1.26 -3.30 135.00 125.96 1k7b s PRO 22 Ca 0.64 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.41 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 -3.11 0.00 0.41 0.04 0.00 0.00 177.00 174.90 1k7b n GLY 23 N -0.24 2.19 2.61 0.56 0.00 -1.26 -4.90 105.19 104.15 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 0.30 3.15 -0.31 4.61 0.00 -1.21 -5.04 120.51 122.01 1k7b n ALA 24 Ca 0.00 -3.84 0.13 0.00 0.00 0.00 0.00 53.44 49.73 1k7b n ALA 24 Cb 0.00 -0.89 0.36 0.00 0.00 0.00 0.00 19.45 18.92 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 5.38 0.91 0.00 0.00 -0.00 -1.91 -3.44 115.15 116.09 1k7b h HIS 25 Ca 0.20 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1k7b h HIS 25 Cb 0.83 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1k7b h HIS 25 CO 0.48 0.28 0.00 0.41 -0.00 0.00 0.00 177.93 179.10 1k7b n GLY 26 N -1.40 1.63 2.82 2.45 0.00 -1.26 -4.63 105.19 104.80 1k7b n GLY 26 Ca 0.20 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 1.05 1.11 1.61 2.12 -1.26 -5.14 118.70 118.19 1k7b s GLU 27 Ca 0.00 -0.68 -0.19 0.00 0.36 0.00 0.00 54.97 54.46 1k7b s GLU 27 Cb 0.00 -2.31 0.28 0.00 0.26 0.00 0.00 34.13 32.36 1k7b s GLU 27 CO 0.00 -0.64 0.86 0.00 -0.54 0.00 0.00 175.26 174.95 1k7b s TYR 29 N -2.43 0.30 0.61 0.00 2.02 0.34 -4.96 117.35 113.23 1k7b s TYR 29 Ca 0.59 -0.70 -0.19 0.00 -0.37 0.00 0.00 57.07 56.40 1k7b s TYR 29 Cb -0.07 -0.21 -0.02 0.00 -0.40 0.00 0.00 41.96 41.26 1k7b s TYR 29 CO 0.47 -0.39 1.32 -2.14 -1.57 0.00 0.00 175.55 173.24 1k7b s PRO 30 N -3.15 2.74 0.00 -1.71 0.02 -1.26 -1.15 135.00 130.49 1k7b s PRO 30 Ca -0.00 2.14 0.24 0.00 0.02 0.00 0.00 61.00 63.40 1k7b s PRO 30 Cb 0.02 -1.98 1.38 0.00 0.02 0.00 0.00 34.50 33.94 1k7b s PRO 30 CO -0.07 -1.47 1.82 1.04 -0.33 0.00 0.00 177.00 177.99 1k7b n GLN 31 N -1.61 0.62 -0.04 5.54 6.02 0.23 -0.97 117.38 127.17 1k7b n GLN 31 Ca 0.14 0.02 0.01 0.00 -0.01 0.00 0.00 57.00 57.17 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 0.56 -0.83 1.08 3.58 -1.91 -2.80 116.42 116.10 1k7b h ASP 32 Ca 0.00 -0.05 -0.48 0.00 0.42 0.00 0.00 57.03 56.92 1k7b h ASP 32 Cb 0.08 -0.14 -0.19 0.00 1.72 0.00 0.00 39.33 40.79 1k7b h ASP 32 CO 0.00 0.50 0.57 0.79 -2.88 0.00 0.00 179.24 178.22 1k7b n TRP 33 N -4.38 2.05 -3.75 0.28 7.02 -0.14 -4.04 117.44 114.49 1k7b n TRP 33 Ca 0.03 -2.24 -0.29 0.00 -1.02 0.00 0.00 57.50 53.98 1k7b n TRP 33 Cb 0.14 -1.18 -0.16 0.00 -2.42 0.00 0.00 31.31 27.69 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 -2.53 1.75 -0.89 -0.99 2.96 -1.06 -4.80 118.68 113.12 1k7b s LEU 34 Ca 0.46 -1.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.08 1k7b s LEU 34 Cb 0.35 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 1k7b s LEU 34 CO -0.08 -0.35 0.73 0.00 -1.32 0.00 0.00 176.35 175.32 1k7b n ASP 36 N -2.35 0.57 0.00 0.00 2.03 -1.26 -4.93 116.55 110.62 1k7b n ASP 36 Ca -0.10 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1k7b n ASP 36 Cb 0.58 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 2.99 0.27 0.00 -1.26 -5.03 105.19 104.26 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 -2.52 -0.38 0.60 1.61 5.04 -1.26 -5.17 115.29 113.21 1k7b s HIS 38 Ca 0.00 0.90 -0.17 0.00 -1.54 0.00 0.00 55.06 54.25 1k7b s HIS 38 Cb 0.00 -0.05 -0.03 0.00 0.04 0.00 0.00 32.58 32.54 1k7b s HIS 38 CO 0.00 -0.32 1.09 -1.25 -2.34 0.00 0.00 174.74 171.91 1k7b s PRO 39 N 2.21 3.19 0.00 2.88 0.05 -1.26 -4.81 135.00 137.26 1k7b s PRO 39 Ca -0.00 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 32.43 1k7b s PRO 39 CO -0.08 -0.93 0.11 -3.47 0.05 0.00 0.00 177.00 172.67 1k7b n ASP 40 N -1.92 0.00 -0.00 6.66 -0.08 -1.26 -4.92 116.55 115.03 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 -0.50 0.00 0.00 0.00 2.03 -1.26 -4.18 116.55 112.65 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 0.00 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 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 0.34 -0.59 1.67 2.03 -1.26 -5.01 116.55 113.72 1k7b n ASP 43 Ca 0.00 -0.66 -0.08 0.00 0.52 0.00 0.00 54.79 54.57 1k7b n ASP 43 Cb 0.00 0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.76 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 0.39 0.87 0.00 0.27 0.00 -1.26 -4.89 105.19 100.57 1k7b n GLY 44 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.51 0.80 0.09 1.61 1.85 -1.26 -1.50 116.66 116.74 1k7b n ARG 45 Ca -0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.73 1k7b n ARG 45 Cb 0.41 -1.25 -0.00 0.00 -1.05 0.00 0.00 32.46 30.56 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 -3.30 116.42 116.85 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 0.82 -1.09 -0.33 -1.03 0.00 0.00 179.24 177.62 1k7b h GLU 47 N 0.00 0.18 -6.11 4.15 4.39 -1.58 -0.90 114.58 114.71 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 1.51 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.25 1k7b h GLU 47 CO 0.11 1.10 1.39 -1.58 -1.16 0.00 0.00 179.01 178.87 1k7b s TRP 48 N -2.81 1.41 0.00 4.33 0.52 -1.24 -1.52 118.94 119.64 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 -4.01 0.00 0.00 -1.15 0.00 0.00 33.47 28.40 1k7b s TRP 48 CO 0.85 -3.79 0.00 0.41 0.02 0.00 0.00 176.95 174.45 1k7b n GLY 49 N 5.52 0.96 2.02 0.98 0.00 -1.26 -4.31 105.19 109.11 1k7b n GLY 49 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 1k7b n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32