#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 -1.96 -0.18 0.49 0.00 0.02 -1.26 -4.93 135.00 127.18 1k7b s PRO 12 Ca 0.00 1.07 -0.23 0.00 0.02 0.00 0.00 61.00 61.86 1k7b s PRO 12 Cb 0.00 -1.62 -0.06 0.00 0.02 0.00 0.00 34.50 32.83 1k7b s PRO 12 CO 0.00 -3.30 1.25 -1.25 -0.33 0.00 0.00 177.00 173.38 1k7b s PRO 13 N -4.55 3.52 -1.45 5.54 0.04 -1.26 -2.60 135.00 134.24 1k7b s PRO 13 Ca 0.68 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1k7b s PRO 13 Cb -0.24 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1k7b s PRO 13 CO 0.62 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1k7b n GLY 14 N 0.57 1.06 2.87 0.56 0.00 -1.26 -5.02 105.19 103.97 1k7b n GLY 14 Ca 0.08 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.58 1.04 0.37 1.61 -0.21 -1.07 -0.63 119.66 117.19 1k7b s GLN 15 Ca 0.00 -0.11 0.09 0.00 0.02 0.00 0.00 55.36 55.36 1k7b s GLN 15 Cb 0.00 -1.16 -0.07 0.00 1.00 0.00 0.00 33.01 32.78 1k7b s GLN 15 CO 0.00 -0.20 -0.05 -0.59 -2.12 0.00 0.00 175.29 172.33 1k7b s PHE 16 N 1.49 2.46 0.05 0.91 -0.71 -0.35 -4.40 117.98 117.43 1k7b s PHE 16 Ca -0.01 -0.56 0.03 0.00 -1.04 0.00 0.00 56.93 55.35 1k7b s PHE 16 Cb -0.13 -1.54 -0.04 0.00 -1.21 0.00 0.00 43.02 40.10 1k7b s PHE 16 CO -0.04 0.52 0.01 -0.98 -1.34 0.00 0.00 175.22 173.40 1k7b s ARG 17 N -3.66 2.68 0.00 1.99 1.70 -1.26 -0.41 118.95 120.00 1k7b s ARG 17 Ca 0.34 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 1k7b s ARG 17 Cb 0.05 -2.61 0.00 0.00 -0.57 0.00 0.00 34.95 31.82 1k7b s ARG 17 CO 0.17 0.58 0.00 0.00 -1.08 0.00 0.00 175.30 174.97 1k7b n SER 19 N 0.00 2.44 -3.76 0.00 7.64 -1.26 -4.88 113.62 113.80 1k7b n SER 19 Ca 0.00 -3.85 -0.19 0.00 1.01 0.00 0.00 58.87 55.84 1k7b n SER 19 Cb 0.00 -0.55 -0.17 0.00 -1.01 0.00 0.00 64.21 62.48 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 -3.30 0.21 0.93 1.43 2.12 -1.26 -5.10 118.70 113.73 1k7b s GLU 20 Ca 0.42 0.19 -0.12 0.00 0.36 0.00 0.00 54.97 55.82 1k7b s GLU 20 Cb 0.39 -0.58 0.15 0.00 0.26 0.00 0.00 34.13 34.35 1k7b s GLU 20 CO -0.03 -0.24 1.10 -1.25 -0.54 0.00 0.00 175.26 174.30 1k7b s PRO 21 N 1.61 0.97 1.06 4.30 0.04 -1.26 -4.99 135.00 136.72 1k7b s PRO 21 Ca -0.02 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 61.48 1k7b s PRO 21 Cb -0.13 -1.80 0.22 0.00 0.04 0.00 0.00 34.50 32.84 1k7b s PRO 21 CO -0.03 -2.38 1.07 -1.25 0.04 0.00 0.00 177.00 174.45 1k7b s PRO 22 N -5.03 -0.06 0.00 0.56 0.04 -1.26 -3.32 135.00 125.93 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 -0.17 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.70 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 -0.27 2.04 2.58 0.56 0.00 -1.26 -4.89 105.19 103.95 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 0.36 3.14 -0.30 4.61 0.00 -1.21 -5.04 120.51 122.07 1k7b n ALA 24 Ca 0.00 -3.82 0.15 0.00 0.00 0.00 0.00 53.44 49.77 1k7b n ALA 24 Cb 0.00 -0.88 0.41 0.00 0.00 0.00 0.00 19.45 18.98 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 5.28 0.83 -0.15 0.00 -0.00 -1.90 -3.44 115.15 115.76 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 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1k7b h HIS 25 CO 0.48 0.21 0.00 0.41 -0.00 0.00 0.00 177.93 179.03 1k7b n GLY 26 N -1.42 1.01 2.99 2.45 0.00 -1.26 -4.63 105.19 104.33 1k7b n GLY 26 Ca 0.21 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 1.76 1.40 1.61 2.02 -1.26 -5.13 118.70 119.11 1k7b s GLU 27 Ca 0.00 -1.28 -0.23 0.00 0.02 0.00 0.00 54.97 53.48 1k7b s GLU 27 Cb 0.00 -2.77 0.36 0.00 0.10 0.00 0.00 34.13 31.82 1k7b s GLU 27 CO 0.00 -0.67 0.97 0.00 0.02 0.00 0.00 175.26 175.58 1k7b s TYR 29 N -2.45 0.23 0.61 0.00 2.02 0.46 -4.97 117.35 113.25 1k7b s TYR 29 Ca 0.70 -0.60 -0.19 0.00 -0.37 0.00 0.00 57.07 56.60 1k7b s TYR 29 Cb -0.10 -0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.27 1k7b s TYR 29 CO 0.57 -0.41 1.32 -2.14 -1.57 0.00 0.00 175.55 173.32 1k7b s PRO 30 N -3.09 2.77 0.00 -1.71 0.02 -1.26 -1.21 135.00 130.52 1k7b s PRO 30 Ca -0.01 2.14 0.25 0.00 0.02 0.00 0.00 61.00 63.40 1k7b s PRO 30 Cb 0.02 -2.01 1.43 0.00 0.02 0.00 0.00 34.50 33.96 1k7b s PRO 30 CO -0.07 -1.45 1.84 1.04 -0.33 0.00 0.00 177.00 178.04 1k7b n GLN 31 N -1.56 0.67 -0.03 5.54 6.02 0.20 -0.97 117.38 127.24 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 0.34 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 0.54 -0.85 1.08 3.58 -1.91 -2.82 116.42 116.04 1k7b h ASP 32 Ca 0.00 -0.06 -0.48 0.00 0.42 0.00 0.00 57.03 56.91 1k7b h ASP 32 Cb 0.06 -0.14 -0.19 0.00 1.72 0.00 0.00 39.33 40.78 1k7b h ASP 32 CO 0.00 0.49 0.57 0.79 -2.88 0.00 0.00 179.24 178.21 1k7b n TRP 33 N -4.37 2.06 -3.76 0.28 7.02 -0.14 -4.06 117.44 114.46 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 0.15 -1.19 -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 -2.55 1.75 -0.90 -0.99 2.96 -1.06 -4.80 118.68 113.10 1k7b s LEU 34 Ca 0.47 -1.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.12 1k7b s LEU 34 Cb 0.35 -0.77 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 1k7b s LEU 34 CO -0.09 -0.34 0.73 0.00 -1.32 0.00 0.00 176.35 175.33 1k7b n ASP 36 N -2.36 0.54 0.00 0.00 2.03 -1.26 -4.93 116.55 110.57 1k7b n ASP 36 Ca -0.10 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1k7b n ASP 36 Cb 0.58 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 3.05 0.27 0.00 -1.26 -5.03 105.19 104.31 1k7b n GLY 37 Ca 0.05 0.00 -0.13 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 -2.47 -0.41 0.59 1.61 5.04 -1.26 -5.17 115.29 113.22 1k7b s HIS 38 Ca 0.00 0.94 -0.17 0.00 -1.54 0.00 0.00 55.06 54.29 1k7b s HIS 38 Cb 0.00 0.03 -0.04 0.00 0.04 0.00 0.00 32.58 32.61 1k7b s HIS 38 CO 0.00 -0.31 1.08 -1.25 -2.34 0.00 0.00 174.74 171.92 1k7b s PRO 39 N 1.91 3.26 0.00 2.88 0.04 -1.26 -4.80 135.00 137.02 1k7b s PRO 39 Ca -0.04 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.33 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 -0.09 -0.87 0.12 -3.47 0.04 0.00 0.00 177.00 172.73 1k7b n ASP 40 N -1.89 0.00 0.00 6.66 -0.08 -1.26 -4.92 116.55 115.06 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 0.02 0.00 2.34 0.00 0.00 41.12 44.00 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 -0.51 0.00 0.00 0.00 2.03 -1.26 -4.18 116.55 112.63 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 -1.15 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 0.36 -0.63 1.67 2.03 -1.26 -5.01 116.55 113.71 1k7b n ASP 43 Ca 0.00 -0.68 -0.08 0.00 0.52 0.00 0.00 54.79 54.55 1k7b n ASP 43 Cb 0.00 0.37 -0.04 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.37 0.91 0.00 0.27 0.00 -1.26 -4.89 105.19 100.59 1k7b n GLY 44 Ca 0.00 -0.19 0.06 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 -1.54 0.80 0.09 1.61 1.85 -1.26 -1.49 116.66 116.73 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 0.42 -1.25 -0.01 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 0.69 2.89 2.03 -1.90 -3.31 116.42 116.83 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 0.83 -1.07 -0.33 -1.03 0.00 0.00 179.24 177.64 1k7b h GLU 47 N 0.00 0.20 -6.09 4.15 4.39 -1.57 -0.91 114.58 114.74 1k7b h GLU 47 Ca -0.01 -0.29 -0.58 0.00 0.34 0.00 0.00 59.36 58.82 1k7b h GLU 47 Cb 1.52 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.27 1k7b h GLU 47 CO 0.11 1.09 1.41 -1.58 -1.16 0.00 0.00 179.01 178.88 1k7b s TRP 48 N -2.84 1.37 0.00 4.33 0.52 -1.23 -1.49 118.94 119.59 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 -4.00 0.00 0.00 -1.15 0.00 0.00 33.47 28.41 1k7b s TRP 48 CO 0.85 -3.87 0.00 0.41 0.02 0.00 0.00 176.95 174.37 1k7b n GLY 49 N 5.55 0.70 2.47 0.98 0.00 -1.26 -4.26 105.19 109.37 1k7b n GLY 49 Ca 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 1k7b n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32