#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fd4 s ILE 2 N 0.00 -0.20 0.00 -0.61 -1.09 -1.26 -4.98 121.20 113.06 1fd4 s ILE 2 Ca 0.00 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1fd4 s ILE 2 Cb 0.00 -0.28 0.00 0.00 -1.58 0.00 0.00 42.46 40.60 1fd4 s ILE 2 CO 0.00 0.13 0.46 0.61 -1.23 0.00 0.00 174.94 174.91 1fd4 n GLY 3 N 5.02 -2.66 2.98 6.18 0.00 -1.23 -1.66 105.19 113.83 1fd4 n GLY 3 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1fd4 n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fd4 s ASP 4 N 0.00 0.73 0.45 1.61 -4.77 -1.20 -2.23 116.67 111.26 1fd4 s ASP 4 Ca 0.00 -0.12 0.21 0.00 -3.30 0.00 0.00 52.55 49.34 1fd4 s ASP 4 Cb 0.00 -0.08 1.07 0.00 -1.09 0.00 0.00 42.92 42.82 1fd4 s ASP 4 CO 0.00 0.07 1.93 1.55 0.70 0.00 0.00 175.17 179.42 1fd4 h PRO 5 N 5.96 0.00 -0.10 2.11 0.13 -1.78 -3.01 132.00 135.32 1fd4 h PRO 5 Ca -0.29 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 1fd4 h PRO 5 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fd4 h PRO 5 CO 0.50 0.23 -0.14 0.28 -0.23 0.00 0.00 178.00 178.64 1fd4 h VAL 6 N 0.00 1.38 -0.26 1.56 2.07 -1.95 -1.82 116.25 117.22 1fd4 h VAL 6 Ca -0.00 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1fd4 h VAL 6 Cb 0.54 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1fd4 h VAL 6 CO 0.03 0.39 0.10 0.74 0.02 0.00 0.00 177.57 178.86 1fd4 h THR 7 N -0.16 1.18 -0.82 2.57 2.02 -1.98 0.18 112.91 115.88 1fd4 h THR 7 Ca 0.01 -0.54 0.20 0.00 0.77 0.00 0.00 66.41 66.85 1fd4 h THR 7 Cb 0.70 1.04 -0.13 0.00 -1.74 0.00 0.00 68.15 68.02 1fd4 h THR 7 CO 0.03 0.18 0.15 0.00 0.37 0.00 0.00 175.52 176.25 1fd4 h LEU 9 N 0.19 0.24 -2.28 0.00 3.38 -1.03 -1.47 115.31 114.34 1fd4 h LEU 9 Ca 0.48 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1fd4 h LEU 9 Cb 0.92 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1fd4 h LEU 9 CO -0.64 1.26 -0.03 0.50 0.09 0.00 0.00 178.44 179.62 1fd4 h LYS 10 N 0.04 0.00 0.05 1.13 1.63 0.00 -2.67 116.57 116.76 1fd4 h LYS 10 Ca -0.17 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.30 1fd4 h LYS 10 Cb 1.95 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.54 1fd4 h LYS 10 CO 0.15 0.03 -1.88 -1.13 -3.45 0.00 0.00 179.45 173.17 1fd4 n SER 11 N -3.30 1.41 0.00 4.20 3.41 -0.85 -5.01 113.62 113.48 1fd4 n SER 11 Ca -0.02 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1fd4 n SER 11 Cb 0.18 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1fd4 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fd4 n GLY 12 N 1.77 0.95 1.12 5.00 0.00 -1.01 -5.12 105.19 107.91 1fd4 n GLY 12 Ca -0.25 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 1fd4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fd4 n ALA 13 N 0.00 0.06 -2.31 4.61 0.00 -0.57 -5.01 120.51 117.29 1fd4 n ALA 13 Ca 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 53.44 52.71 1fd4 n ALA 13 Cb 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 1fd4 n ALA 13 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1fd4 s ILE 14 N -0.72 1.39 -0.17 0.00 -4.36 -0.98 -4.29 121.20 112.07 1fd4 s ILE 14 Ca 0.19 -2.12 -0.02 0.00 -0.26 0.00 0.00 60.65 58.45 1fd4 s ILE 14 Cb -0.01 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.64 1fd4 s ILE 14 CO 0.13 -0.59 -0.10 0.00 0.24 0.00 0.00 174.94 174.62 1fd4 s HIS 16 N 0.85 2.81 0.23 0.00 2.46 -0.61 -4.98 115.29 116.05 1fd4 s HIS 16 Ca -0.03 -0.07 -0.11 0.00 0.47 0.00 0.00 55.06 55.32 1fd4 s HIS 16 Cb -0.15 -1.65 0.33 0.00 -0.13 0.00 0.00 32.58 30.97 1fd4 s HIS 16 CO 0.01 0.27 1.62 -1.35 -2.47 0.00 0.00 174.74 172.82 1fd4 h PRO 17 N 5.18 0.03 0.00 2.88 0.11 -1.91 -1.80 132.00 136.49 1fd4 h PRO 17 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1fd4 h PRO 17 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1fd4 h PRO 17 CO 0.51 0.02 0.00 0.28 -0.21 0.00 0.00 178.00 178.60 1fd4 n VAL 18 N -5.42 0.00 -0.78 3.15 0.31 -1.26 -2.64 118.33 111.69 1fd4 n VAL 18 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.14 1fd4 n VAL 18 Cb 0.39 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.51 1fd4 n VAL 18 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1fd4 s PHE 19 N 1.52 1.71 0.43 3.52 -0.12 -1.26 -3.68 117.98 120.10 1fd4 s PHE 19 Ca 0.00 1.42 -0.03 0.00 -0.05 0.00 0.00 56.93 58.27 1fd4 s PHE 19 Cb 0.00 -3.20 -0.03 0.00 -0.63 0.00 0.00 43.02 39.16 1fd4 s PHE 19 CO 0.00 -3.11 0.69 0.00 -0.05 0.00 0.00 175.22 172.76 1fd4 n PRO 21 N -2.09 0.00 0.00 0.00 -0.02 -1.26 -4.96 135.00 126.68 1fd4 n PRO 21 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1fd4 n PRO 21 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1fd4 n PRO 21 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fd4 n ARG 22 N 0.00 0.00 -1.37 -0.52 3.00 -1.26 -4.70 116.66 111.81 1fd4 n ARG 22 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.85 57.60 1fd4 n ARG 22 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 1fd4 n ARG 22 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1fd4 n ARG 23 N 0.00 2.53 -4.82 5.56 0.00 -1.26 -4.88 116.66 113.79 1fd4 n ARG 23 Ca 0.00 -2.01 -0.26 0.00 -0.00 0.00 0.00 57.85 55.58 1fd4 n ARG 23 Cb 0.00 -2.17 -0.16 0.00 -0.00 0.00 0.00 32.46 30.13 1fd4 n ARG 23 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1fd4 s TYR 24 N -0.62 1.69 -0.14 2.89 1.51 -1.26 -4.69 117.35 116.73 1fd4 s TYR 24 Ca 0.62 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 1fd4 s TYR 24 Cb 0.34 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 41.04 1fd4 s TYR 24 CO -0.13 -0.17 -0.18 0.15 -1.11 0.00 0.00 175.55 174.10 1fd4 s LYS 25 N 0.08 3.16 -0.07 -0.62 3.01 0.38 -4.74 119.74 120.93 1fd4 s LYS 25 Ca -0.05 -0.79 -0.30 0.00 -1.01 0.00 0.00 55.97 53.83 1fd4 s LYS 25 Cb -0.12 -2.54 -0.08 0.00 -1.01 0.00 0.00 37.83 34.08 1fd4 s LYS 25 CO 0.02 0.04 2.07 0.94 0.51 0.00 0.00 175.35 178.93 1fd4 n GLN 26 N 3.97 2.45 -0.07 1.68 0.00 -1.26 -1.95 117.38 122.20 1fd4 n GLN 26 Ca -0.19 0.83 -0.05 0.00 -0.00 0.00 0.00 57.00 57.59 1fd4 n GLN 26 Cb 0.52 -3.06 -0.15 0.00 0.00 0.00 0.00 30.24 27.55 1fd4 n GLN 26 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 1fd4 n ILE 27 N 6.37 0.98 -0.35 1.69 -5.35 -0.15 -4.97 119.36 117.57 1fd4 n ILE 27 Ca 0.24 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1fd4 n ILE 27 Cb 0.41 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 1fd4 n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fd4 n GLY 28 N 1.76 2.76 3.40 3.28 0.00 -1.11 -4.83 105.19 110.44 1fd4 n GLY 28 Ca -0.24 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1fd4 n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd4 s THR 29 N -0.03 0.40 -0.10 2.61 -4.23 -0.66 -1.47 115.64 112.15 1fd4 s THR 29 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 1fd4 s THR 29 Cb 0.00 -2.46 0.43 0.00 1.34 0.00 0.00 72.50 71.82 1fd4 s THR 29 CO 0.00 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.26 1fd4 n GLY 31 N -0.17 1.12 3.47 0.00 0.00 -0.95 -3.74 105.19 104.91 1fd4 n GLY 31 Ca 0.12 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 1fd4 n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fd4 n LEU 32 N 0.00 0.46 -4.70 0.99 4.32 -1.26 -4.86 117.00 111.95 1fd4 n LEU 32 Ca 0.00 0.82 -0.42 0.00 -0.02 0.00 0.00 56.01 56.39 1fd4 n LEU 32 Cb 0.00 -1.15 0.00 0.00 -1.62 0.00 0.00 43.42 40.65 1fd4 n LEU 32 CO 0.00 -2.94 0.89 -2.65 -1.22 0.00 0.00 177.39 171.47 1fd4 n PRO 33 N 0.26 2.03 0.00 3.23 -0.02 -1.26 -2.51 135.00 136.73 1fd4 n PRO 33 Ca 0.11 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1fd4 n PRO 33 Cb 0.44 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1fd4 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fd4 n GLY 34 N 0.79 2.94 3.75 -1.23 0.00 -1.26 -5.05 105.19 105.13 1fd4 n GLY 34 Ca 0.06 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1fd4 n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fd4 s THR 35 N -0.12 2.53 0.06 2.61 -4.23 -1.04 -4.16 115.64 111.28 1fd4 s THR 35 Ca 0.00 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1fd4 s THR 35 Cb 0.00 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 1fd4 s THR 35 CO 0.00 -0.09 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.37 1fd4 s LYS 36 N -3.45 0.64 -0.25 3.99 1.02 -0.68 -4.16 119.74 116.85 1fd4 s LYS 36 Ca 0.77 -0.93 -0.10 0.00 0.02 0.00 0.00 55.97 55.74 1fd4 s LYS 36 Cb -0.31 -0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 36.63 1fd4 s LYS 36 CO 0.36 0.05 0.15 0.00 -0.92 0.00 0.00 175.35 174.98 1fd4 n LYS 39 N 1.37 0.00 -4.35 0.00 4.81 -0.82 -2.32 118.16 116.85 1fd4 n LYS 39 Ca -0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.10 1fd4 n LYS 39 Cb 0.52 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.48 1fd4 n LYS 39 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1fd4 s LYS 40 N 0.71 1.54 0.00 1.64 0.00 -1.26 0.14 119.74 122.51 1fd4 s LYS 40 Ca 0.00 -1.86 0.16 0.00 0.00 0.00 0.00 55.97 54.27 1fd4 s LYS 40 Cb 0.00 -0.26 0.94 0.00 0.00 0.00 0.00 37.83 38.52 1fd4 s LYS 40 CO 0.00 -0.37 1.36 -0.35 0.00 0.00 0.00 175.35 175.99