#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6f n PRO 2 N 0.00 0.64 -0.71 0.54 -0.02 -1.26 -5.00 135.00 129.19 1k6f n PRO 2 Ca 0.00 0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 1k6f n PRO 2 Cb 0.00 -2.27 0.23 0.00 -0.02 0.00 0.00 33.50 31.44 1k6f n PRO 2 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1k6f s GLY 3 N -1.57 1.56 0.77 -1.23 0.00 -1.26 -5.05 107.32 100.55 1k6f s GLY 3 Ca 0.75 -0.14 -0.12 0.00 0.00 0.00 0.00 44.72 45.22 1k6f s GLY 3 CO 0.48 0.54 1.10 2.56 0.00 0.00 0.00 173.10 177.78 1k6f s PRO 4 N -4.59 2.30 0.59 2.90 0.04 -1.26 -5.00 135.00 129.98 1k6f s PRO 4 Ca 0.68 0.52 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 1k6f s PRO 4 Cb -0.23 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1k6f s PRO 4 CO 0.62 -1.44 1.18 -2.30 0.04 0.00 0.00 177.00 175.11 1k6f n PRO 5 N -3.29 1.22 -1.11 0.56 -0.02 -1.26 -5.00 135.00 126.10 1k6f n PRO 5 Ca 0.07 0.46 -0.30 0.00 -2.02 0.00 0.00 63.50 61.71 1k6f n PRO 5 Cb 0.57 -2.39 0.25 0.00 -0.02 0.00 0.00 33.50 31.91 1k6f n PRO 5 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1k6f s GLY 6 N -1.16 1.60 0.78 -1.23 0.00 -1.26 -5.03 107.32 101.03 1k6f s GLY 6 Ca 0.76 -1.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 1k6f s GLY 6 CO 0.46 -0.16 1.10 2.56 0.00 0.00 0.00 173.10 177.06 1k6f s PRO 7 N -5.54 2.21 0.72 2.90 0.04 -1.26 -5.00 135.00 129.07 1k6f s PRO 7 Ca 0.72 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 1k6f s PRO 7 Cb -0.07 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1k6f s PRO 7 CO 0.55 -1.52 1.06 -2.30 0.04 0.00 0.00 177.00 174.84 1k6f n PRO 8 N -3.36 0.57 -1.17 0.56 -0.02 -1.26 -4.99 135.00 125.32 1k6f n PRO 8 Ca 0.07 0.25 -0.20 0.00 -2.02 0.00 0.00 63.50 61.61 1k6f n PRO 8 Cb 0.56 -2.31 0.14 0.00 -0.02 0.00 0.00 33.50 31.87 1k6f n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k6f n GLY 9 N 0.98 -1.62 3.80 -1.23 0.00 -1.26 -5.03 105.19 100.83 1k6f n GLY 9 Ca 0.14 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 1k6f n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1k6f s PRO 10 N -4.89 2.34 0.68 1.61 0.04 -1.26 -5.00 135.00 128.51 1k6f s PRO 10 Ca 0.50 0.82 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 1k6f s PRO 10 Cb -0.02 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1k6f s PRO 10 CO 0.36 -1.49 1.25 -2.14 0.04 0.00 0.00 177.00 175.02 1k6f s PRO 11 N -5.07 2.41 1.14 0.56 0.02 -1.26 -5.01 135.00 127.78 1k6f s PRO 11 Ca 0.60 1.91 -0.16 0.00 0.02 0.00 0.00 61.00 63.38 1k6f s PRO 11 Cb -0.15 -1.85 0.26 0.00 0.02 0.00 0.00 34.50 32.78 1k6f s PRO 11 CO 0.55 -1.67 1.08 0.20 -0.33 0.00 0.00 177.00 176.83 1k6f s GLY 12 N -1.68 1.55 0.86 0.52 0.00 -1.26 -5.05 107.32 102.27 1k6f s GLY 12 Ca 0.79 -0.60 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 1k6f s GLY 12 CO 0.41 0.17 1.17 2.56 0.00 0.00 0.00 173.10 177.41 1k6f s PRO 13 N -5.06 1.51 0.75 2.90 0.04 -1.26 -5.00 135.00 128.87 1k6f s PRO 13 Ca 0.68 0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.73 1k6f s PRO 13 Cb -0.16 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.54 1k6f s PRO 13 CO 0.58 -1.92 1.16 -2.14 0.04 0.00 0.00 177.00 174.73 1k6f s PRO 14 N -5.48 2.12 1.10 0.56 0.02 -1.26 -5.00 135.00 127.07 1k6f s PRO 14 Ca 0.64 1.57 -0.18 0.00 0.02 0.00 0.00 61.00 63.05 1k6f s PRO 14 Cb -0.12 -1.85 0.25 0.00 0.02 0.00 0.00 34.50 32.80 1k6f s PRO 14 CO 0.51 -1.81 1.21 0.20 -0.33 0.00 0.00 177.00 176.78 1k6f s GLY 15 N -2.41 1.67 0.74 0.52 0.00 -1.26 -5.02 107.32 101.56 1k6f s GLY 15 Ca 0.70 -1.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.22 1k6f s GLY 15 CO 0.48 -0.24 1.08 2.56 0.00 0.00 0.00 173.10 176.98 1k6f s PRO 16 N -5.64 2.55 0.72 2.90 0.04 -1.26 -4.99 135.00 129.32 1k6f s PRO 16 Ca 0.73 0.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1k6f s PRO 16 Cb -0.07 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1k6f s PRO 16 CO 0.55 -1.32 1.23 -2.14 0.04 0.00 0.00 177.00 175.36 1k6f s PRO 17 N -5.14 2.16 1.02 0.56 0.02 -1.26 -5.01 135.00 127.36 1k6f s PRO 17 Ca 0.59 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 1k6f s PRO 17 Cb -0.14 -1.83 0.20 0.00 0.02 0.00 0.00 34.50 32.76 1k6f s PRO 17 CO 0.54 -1.84 1.08 0.20 -0.33 0.00 0.00 177.00 176.65 1k6f s GLY 18 N -1.85 1.58 0.88 0.52 0.00 -1.26 -5.03 107.32 102.15 1k6f s GLY 18 Ca 0.77 -0.20 -0.11 0.00 0.00 0.00 0.00 44.72 45.18 1k6f s GLY 18 CO 0.44 0.41 1.09 2.56 0.00 0.00 0.00 173.10 177.61 1k6f s PRO 19 N -4.82 1.37 0.78 2.90 0.04 -1.26 -5.00 135.00 129.02 1k6f s PRO 19 Ca 0.66 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.41 1k6f s PRO 19 Cb -0.20 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.59 1k6f s PRO 19 CO 0.59 -2.17 1.20 -2.14 0.04 0.00 0.00 177.00 174.53 1k6f s PRO 20 N -4.94 1.80 1.10 0.56 0.02 -1.26 -5.00 135.00 127.28 1k6f s PRO 20 Ca 0.63 1.74 -0.17 0.00 0.02 0.00 0.00 61.00 63.22 1k6f s PRO 20 Cb -0.18 -1.80 0.24 0.00 0.02 0.00 0.00 34.50 32.79 1k6f s PRO 20 CO 0.57 -2.09 1.15 0.20 -0.33 0.00 0.00 177.00 176.50 1k6f s GLY 21 N -2.16 1.62 0.87 0.52 0.00 -1.26 -5.03 107.32 101.87 1k6f s GLY 21 Ca 0.73 -0.87 -0.12 0.00 0.00 0.00 0.00 44.72 44.46 1k6f s GLY 21 CO 0.49 -0.08 1.11 2.56 0.00 0.00 0.00 173.10 177.18 1k6f s PRO 22 N -5.42 1.50 0.64 2.90 0.04 -1.26 -5.00 135.00 128.40 1k6f s PRO 22 Ca 0.70 0.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 1k6f s PRO 22 Cb -0.10 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1k6f s PRO 22 CO 0.55 -2.00 1.23 -2.14 0.04 0.00 0.00 177.00 174.69 1k6f s PRO 23 N -5.16 2.67 1.08 0.56 0.02 -1.26 -5.01 135.00 127.90 1k6f s PRO 23 Ca 0.63 1.87 -0.17 0.00 0.02 0.00 0.00 61.00 63.35 1k6f s PRO 23 Cb -0.15 -1.88 0.23 0.00 0.02 0.00 0.00 34.50 32.72 1k6f s PRO 23 CO 0.54 -1.45 1.17 0.20 -0.33 0.00 0.00 177.00 177.13 1k6f s GLY 24 N -1.65 1.63 0.75 0.52 0.00 -1.26 -5.04 107.32 102.28 1k6f s GLY 24 Ca 0.78 -0.91 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 1k6f s GLY 24 CO 0.38 -0.12 1.10 2.56 0.00 0.00 0.00 173.10 177.01 1k6f s PRO 25 N -5.48 2.48 0.58 2.90 0.04 -1.26 -5.01 135.00 129.25 1k6f s PRO 25 Ca 0.70 0.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1k6f s PRO 25 Cb -0.10 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1k6f s PRO 25 CO 0.55 -1.32 1.33 -2.14 0.04 0.00 0.00 177.00 175.46 1k6f s PRO 26 N -5.28 2.94 1.30 0.56 0.02 -1.26 -5.00 135.00 128.28 1k6f s PRO 26 Ca 0.59 2.16 -0.19 0.00 0.02 0.00 0.00 61.00 63.58 1k6f s PRO 26 Cb -0.13 -2.10 0.32 0.00 0.02 0.00 0.00 34.50 32.61 1k6f s PRO 26 CO 0.53 -1.32 1.00 0.20 -0.33 0.00 0.00 177.00 177.07 1k6f s GLY 27 N -1.13 1.48 0.72 0.52 0.00 -1.26 -5.02 107.32 102.63 1k6f s GLY 27 Ca 0.76 -0.66 -0.13 0.00 0.00 0.00 0.00 44.72 44.69 1k6f s GLY 27 CO 0.44 0.23 1.10 2.56 0.00 0.00 0.00 173.10 177.44 1k6f s PRO 28 N -4.99 2.52 0.00 2.90 0.04 -1.26 -5.32 135.00 128.89 1k6f s PRO 28 Ca 0.69 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1k6f s PRO 28 Cb -0.16 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1k6f s PRO 28 CO 0.59 -1.45 0.31 -2.30 0.04 0.00 0.00 177.00 174.19