#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1h s PRO 4 N 0.00 3.83 0.64 1.61 0.04 -1.26 -5.04 135.00 134.83 3a1h s PRO 4 Ca 0.00 0.40 -0.17 0.00 0.04 0.00 0.00 61.00 61.26 3a1h s PRO 4 Cb 0.00 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 3a1h s PRO 4 CO 0.00 0.18 1.20 -2.14 0.04 0.00 0.00 177.00 176.29 3a1h s PRO 5 N -3.18 2.69 0.99 0.56 0.02 -1.26 -5.01 135.00 129.81 3a1h s PRO 5 Ca 0.50 1.78 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 3a1h s PRO 5 Cb -0.11 -1.90 0.18 0.00 0.02 0.00 0.00 34.50 32.70 3a1h s PRO 5 CO 0.23 -1.42 1.08 0.20 -0.33 0.00 0.00 177.00 176.77 3a1h s GLY 6 N -1.81 1.61 0.79 0.52 0.00 -1.26 -5.02 107.32 102.14 3a1h s GLY 6 Ca 0.76 0.03 -0.11 0.00 0.00 0.00 0.00 44.72 45.40 3a1h s GLY 6 CO 0.38 0.58 1.09 2.56 0.00 0.00 0.00 173.10 177.71 3a1h s PRO 7 N -4.73 2.14 0.41 2.90 0.04 -1.26 -4.99 135.00 129.52 3a1h s PRO 7 Ca 0.66 0.87 -0.22 0.00 0.04 0.00 0.00 61.00 62.34 3a1h s PRO 7 Cb -0.21 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 3a1h s PRO 7 CO 0.60 -1.64 0.52 -2.30 0.04 0.00 0.00 177.00 174.22 3a1h n PRO 8 N -3.48 0.53 0.00 0.56 -0.02 -1.26 -5.00 135.00 126.33 3a1h n PRO 8 Ca 0.08 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3a1h n PRO 8 Cb 0.55 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 3a1h n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1h n GLY 9 N 1.82 -1.50 3.81 -1.23 0.00 -1.26 -5.03 105.19 101.80 3a1h n GLY 9 Ca 0.12 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3a1h n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a1h s PRO 10 N -1.88 3.16 0.57 1.61 0.04 -1.26 -4.99 135.00 132.24 3a1h s PRO 10 Ca 0.00 1.07 -0.20 0.00 0.04 0.00 0.00 61.00 61.92 3a1h s PRO 10 Cb 0.00 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3a1h s PRO 10 CO 0.00 -0.93 1.00 -0.35 0.04 0.00 0.00 177.00 176.76 3a1h n PRO 11 N -2.54 1.03 0.00 0.56 -0.04 -1.26 -5.24 135.00 127.51 3a1h n PRO 11 Ca 0.08 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 3a1h n PRO 11 Cb 0.53 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 3a1h n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a1h n GLY 12 N 1.23 -1.62 3.79 0.55 0.00 -1.26 -5.24 105.19 102.64 3a1h n GLY 12 Ca 0.13 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3a1h n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a1h s THR 14 N 0.00 4.87 1.23 2.61 2.01 -1.26 -5.25 115.64 119.85 3a1h s THR 14 Ca 0.00 1.17 -0.17 0.00 0.31 0.00 0.00 61.69 63.00 3a1h s THR 14 Cb 0.00 -3.89 0.30 0.00 0.01 0.00 0.00 72.50 68.92 3a1h s THR 14 CO 0.00 0.48 1.02 -0.83 -0.69 0.00 0.00 174.62 174.61 3a1h s GLY 15 N -0.59 1.51 0.62 4.40 0.00 -1.26 -5.03 107.32 106.97 3a1h s GLY 15 Ca 0.29 -0.53 -0.10 0.00 0.00 0.00 0.00 44.72 44.38 3a1h s GLY 15 CO 0.17 0.29 1.00 2.56 0.00 0.00 0.00 173.10 177.12 3a1h s PRO 16 N -4.89 3.29 0.48 2.90 0.04 -1.26 -5.00 135.00 130.56 3a1h s PRO 16 Ca 0.68 0.50 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 3a1h s PRO 16 Cb -0.18 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 3a1h s PRO 16 CO 0.60 -0.67 1.37 -1.25 0.04 0.00 0.00 177.00 177.09 3a1h s PRO 17 N -5.15 3.55 1.01 0.56 0.04 -1.26 -5.01 135.00 128.75 3a1h s PRO 17 Ca 0.55 2.28 -0.14 0.00 0.04 0.00 0.00 61.00 63.73 3a1h s PRO 17 Cb -0.11 -2.53 0.19 0.00 0.04 0.00 0.00 34.50 32.10 3a1h s PRO 17 CO 0.51 -0.87 1.13 0.20 0.04 0.00 0.00 177.00 178.00 3a1h s GLY 18 N -0.74 1.58 0.74 0.56 0.00 -1.26 -5.03 107.32 103.17 3a1h s GLY 18 Ca 0.64 -0.59 -0.13 0.00 0.00 0.00 0.00 44.72 44.64 3a1h s GLY 18 CO 0.51 0.07 1.12 2.56 0.00 0.00 0.00 173.10 177.36 3a1h s PRO 19 N -5.21 2.32 0.72 2.90 0.04 -1.26 -5.00 135.00 129.50 3a1h s PRO 19 Ca 0.66 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 3a1h s PRO 19 Cb -0.15 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.53 3a1h s PRO 19 CO 0.56 -1.62 1.22 -0.35 0.04 0.00 0.00 177.00 176.84 3a1h n PRO 20 N -3.07 0.67 -0.52 0.56 -0.04 -1.26 -5.01 135.00 126.33 3a1h n PRO 20 Ca 0.10 0.29 -0.29 0.00 -0.04 0.00 0.00 63.50 63.57 3a1h n PRO 20 Cb 0.52 -2.46 0.24 0.00 -0.04 0.00 0.00 33.50 31.76 3a1h n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a1h n GLY 21 N 0.79 -1.62 3.91 0.55 0.00 -1.26 -5.05 105.19 102.51 3a1h n GLY 21 Ca 0.15 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 3a1h n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a1h s PRO 22 N -4.46 2.10 0.52 1.61 0.04 -1.26 -4.99 135.00 128.55 3a1h s PRO 22 Ca 0.68 -0.06 -0.23 0.00 0.04 0.00 0.00 61.00 61.44 3a1h s PRO 22 Cb -0.25 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 3a1h s PRO 22 CO 0.63 -1.41 1.34 -2.14 0.04 0.00 0.00 177.00 175.47 3a1h s PRO 23 N -5.41 3.33 1.31 0.56 0.02 -1.26 -5.00 135.00 128.54 3a1h s PRO 23 Ca 0.61 2.21 -0.20 0.00 0.02 0.00 0.00 61.00 63.64 3a1h s PRO 23 Cb -0.11 -2.36 0.33 0.00 0.02 0.00 0.00 34.50 32.38 3a1h s PRO 23 CO 0.47 -1.03 0.99 0.20 -0.33 0.00 0.00 177.00 177.30 3a1h s GLY 24 N -0.92 1.48 0.89 0.52 0.00 -1.26 -5.01 107.32 103.02 3a1h s GLY 24 Ca 0.68 -0.70 -0.11 0.00 0.00 0.00 0.00 44.72 44.60 3a1h s GLY 24 CO 0.48 0.22 1.10 2.56 0.00 0.00 0.00 173.10 177.45 3a1h s PRO 25 N -5.02 1.26 0.00 2.90 0.04 -1.26 -5.31 135.00 127.61 3a1h s PRO 25 Ca 0.69 1.16 0.27 0.00 0.04 0.00 0.00 61.00 63.16 3a1h s PRO 25 Cb -0.15 -1.78 0.78 0.00 0.04 0.00 0.00 34.50 33.38 3a1h s PRO 25 CO 0.59 -2.34 1.59 -0.35 0.04 0.00 0.00 177.00 176.53