#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k72 s GLY 2 N 0.00 0.88 -0.32 2.72 0.00 -1.26 -5.10 107.32 104.24 2k72 s GLY 2 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.01 2k72 s GLY 2 CO 0.00 -0.53 0.37 0.00 0.00 0.00 0.00 173.10 172.94 2k72 s LEU 4 N 2.07 2.22 0.27 0.00 2.34 -1.26 -4.67 118.68 119.65 2k72 s LEU 4 Ca 0.12 -0.52 -0.29 0.00 0.06 0.00 0.00 54.13 53.50 2k72 s LEU 4 Cb -0.14 -0.54 -0.09 0.00 -0.56 0.00 0.00 46.19 44.86 2k72 s LEU 4 CO -0.21 -0.02 0.98 1.51 -1.06 0.00 0.00 176.35 177.55 2k72 s ASP 5 N -1.39 7.49 0.00 1.48 -4.77 -1.26 -4.18 116.67 114.04 2k72 s ASP 5 Ca -0.00 2.01 0.15 0.00 -3.30 0.00 0.00 52.55 51.40 2k72 s ASP 5 Cb -0.09 -2.61 0.17 0.00 -1.09 0.00 0.00 42.92 39.30 2k72 s ASP 5 CO 0.02 0.04 1.03 -2.11 0.70 0.00 0.00 175.17 174.85 2k72 n ARG 6 N 1.23 1.36 -3.93 2.11 1.85 -0.03 -4.88 116.66 114.38 2k72 n ARG 6 Ca -0.01 -1.53 -0.09 0.00 -1.00 0.00 0.00 57.85 55.22 2k72 n ARG 6 Cb 0.47 -1.30 -0.08 0.00 -1.05 0.00 0.00 32.46 30.51 2k72 n ARG 6 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2k72 s ILE 7 N -1.20 0.13 -0.40 8.89 -4.36 -1.25 -5.03 121.20 117.98 2k72 s ILE 7 Ca 0.20 -1.35 0.06 0.00 -0.26 0.00 0.00 60.65 59.30 2k72 s ILE 7 Cb 0.13 -1.55 0.52 0.00 1.25 0.00 0.00 42.46 42.82 2k72 s ILE 7 CO 0.19 -0.57 1.50 2.22 0.24 0.00 0.00 174.94 178.52 2k72 n PHE 8 N -0.09 1.78 0.46 1.37 1.16 -1.26 -4.03 117.46 116.85 2k72 n PHE 8 Ca -0.12 -0.94 0.12 0.00 -1.87 0.00 0.00 57.45 54.64 2k72 n PHE 8 Cb 0.63 -0.55 0.20 0.00 -1.61 0.00 0.00 39.48 38.15 2k72 n PHE 8 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2k72 n VAL 9 N -0.07 0.41 -0.20 1.97 0.31 -1.26 -4.35 118.33 115.13 2k72 n VAL 9 Ca 0.30 -0.69 -0.07 0.00 -0.01 0.00 0.00 64.34 63.86 2k72 n VAL 9 Cb 1.10 1.06 0.03 0.00 -0.91 0.00 0.00 33.84 35.12 2k72 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k72 h THR 11 N 0.77 0.00 -0.79 0.00 2.02 -1.92 0.53 112.91 113.53 2k72 h THR 11 Ca 0.20 -0.11 0.23 0.00 0.77 0.00 0.00 66.41 67.49 2k72 h THR 11 Cb 0.12 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 2k72 h THR 11 CO -0.02 0.00 0.74 0.28 0.37 0.00 0.00 175.52 176.88 2k72 h SER 12 N -1.10 0.00 0.00 4.18 0.02 -1.81 -0.85 113.55 113.99 2k72 h SER 12 Ca -0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2k72 h SER 12 Cb 0.76 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 2k72 h SER 12 CO 0.17 0.00 -0.24 -0.50 -1.14 0.00 0.00 176.83 175.12 2k72 h TRP 13 N 0.00 0.00 -1.00 3.45 6.55 -0.78 -3.33 115.95 120.84 2k72 h TRP 13 Ca 0.38 0.00 0.29 0.00 0.95 0.00 0.00 58.89 60.51 2k72 h TRP 13 Cb 1.85 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 30.11 2k72 h TRP 13 CO 0.00 0.24 0.79 0.00 -1.05 0.00 0.00 178.44 178.42 2k72 h ALA 14 N -0.83 2.90 0.00 1.49 0.00 0.98 1.28 119.26 125.07 2k72 h ALA 14 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k72 h ALA 14 Cb 0.37 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k72 h ALA 14 CO -0.02 -1.31 0.00 -2.13 0.00 0.00 0.00 179.25 175.80 2k72 n ARG 15 N -4.01 0.32 0.00 0.00 0.63 -0.41 -2.38 116.66 110.81 2k72 n ARG 15 Ca 0.21 0.09 0.01 0.00 -0.92 0.00 0.00 57.85 57.25 2k72 n ARG 15 Cb 1.13 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 32.53 2k72 n ARG 15 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2k72 n LYS 16 N -1.20 5.15 0.00 -0.14 3.00 0.44 -4.98 118.16 120.43 2k72 n LYS 16 Ca 0.09 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2k72 n LYS 16 Cb 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.46 2k72 n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k72 n GLY 17 N 0.90 0.77 0.65 3.14 0.00 -1.00 -4.96 105.19 104.69 2k72 n GLY 17 Ca 0.01 0.00 0.46 0.00 0.00 0.00 0.00 46.02 46.48 2k72 n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2k72 h PHE 18 N 0.00 0.00 0.00 1.61 3.04 -1.74 1.19 116.94 121.04 2k72 h PHE 18 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2k72 h PHE 18 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 2k72 h PHE 18 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.29 2k72 n ASP 20 N -1.77 0.34 -0.07 0.00 8.00 0.40 -4.39 116.55 119.06 2k72 n ASP 20 Ca 0.01 0.30 -0.03 0.00 0.71 0.00 0.00 54.79 55.77 2k72 n ASP 20 Cb 0.09 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 2k72 n ASP 20 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2k72 h VAL 21 N 0.00 0.00 -0.15 2.53 2.07 -1.51 -2.69 116.25 116.49 2k72 h VAL 21 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k72 h VAL 21 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2k72 h VAL 21 CO 0.00 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.13 2k72 n ARG 22 N -3.47 2.33 -0.08 1.57 1.74 -1.23 -4.68 116.66 112.84 2k72 n ARG 22 Ca -0.00 -2.03 0.07 0.00 -0.77 0.00 0.00 57.85 55.12 2k72 n ARG 22 Cb 0.07 -1.47 0.12 0.00 -1.02 0.00 0.00 32.46 30.17 2k72 n ARG 22 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2k72 n GLN 23 N 1.37 -0.02 0.14 5.56 7.27 0.62 0.26 117.38 132.58 2k72 n GLN 23 Ca 0.16 0.35 0.08 0.00 0.07 0.00 0.00 57.00 57.65 2k72 n GLN 23 Cb 0.59 -0.60 0.43 0.00 2.41 0.00 0.00 30.24 33.07 2k72 n GLN 23 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2k72 n ARG 24 N -3.73 0.10 -0.13 3.69 1.74 -1.26 -1.65 116.66 115.42 2k72 n ARG 24 Ca 0.08 0.58 -0.27 0.00 -0.77 0.00 0.00 57.85 57.48 2k72 n ARG 24 Cb 0.28 -1.96 -0.09 0.00 -1.02 0.00 0.00 32.46 29.67 2k72 n ARG 24 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2k72 n LEU 25 N -2.07 1.91 -1.04 0.55 0.00 0.71 -4.43 117.00 112.63 2k72 n LEU 25 Ca -0.01 0.33 -0.01 0.00 0.00 0.00 0.00 56.01 56.32 2k72 n LEU 25 Cb 0.14 -0.79 0.09 0.00 0.00 0.00 0.00 43.42 42.86 2k72 n LEU 25 CO 0.07 0.47 0.52 1.15 0.00 0.00 0.00 177.39 179.60 2k72 n MET 26 N -4.24 1.81 0.05 1.96 0.00 -1.09 -4.09 117.12 111.51 2k72 n MET 26 Ca -0.49 -0.84 -0.12 0.00 0.00 0.00 0.00 57.70 56.25 2k72 n MET 26 Cb 0.84 -1.57 -0.00 0.00 0.00 0.00 0.00 33.22 32.48 2k72 n MET 26 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2k72 h LYS 27 N 0.80 0.46 0.00 3.17 3.64 -1.53 -2.59 116.57 120.51 2k72 h LYS 27 Ca 0.06 -0.40 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2k72 h LYS 27 Cb 1.12 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2k72 h LYS 27 CO 0.19 1.04 -1.95 0.54 -2.27 0.00 0.00 179.45 177.01 2k72 n ARG 28 N -3.82 0.63 -0.13 1.90 1.74 -1.26 -4.22 116.66 111.49 2k72 n ARG 28 Ca -0.05 -0.19 0.07 0.00 -0.77 0.00 0.00 57.85 56.91 2k72 n ARG 28 Cb 0.75 -1.49 0.14 0.00 -1.02 0.00 0.00 32.46 30.83 2k72 n ARG 28 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k72 n LEU 29 N -2.22 2.75 -2.69 0.55 -0.00 -1.25 -4.20 117.00 109.93 2k72 n LEU 29 Ca -0.04 -1.62 -0.07 0.00 -0.00 0.00 0.00 56.01 54.28 2k72 n LEU 29 Cb 0.54 -0.17 0.11 0.00 -0.00 0.00 0.00 43.42 43.90 2k72 n LEU 29 CO 0.43 0.63 0.52 0.00 -0.00 0.00 0.00 177.39 178.98 2k72 h PRO 31 N 1.92 0.00 -0.20 0.00 0.13 -1.73 -3.24 132.00 128.87 2k72 h PRO 31 Ca -0.30 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2k72 h PRO 31 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2k72 h PRO 31 CO -0.08 0.81 0.07 -0.09 -0.23 0.00 0.00 178.00 178.48 2k72 h ARG 32 N 0.00 0.27 0.00 0.86 9.65 -1.90 1.25 114.38 124.51 2k72 h ARG 32 Ca -0.01 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2k72 h ARG 32 Cb 1.44 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.96 2k72 h ARG 32 CO 0.11 0.24 -0.03 1.03 2.80 0.00 0.00 179.97 184.12 2k72 h SER 33 N 0.28 0.00 -0.36 -3.80 0.87 -1.91 -3.32 113.55 105.31 2k72 h SER 33 Ca 0.07 -0.96 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 2k72 h SER 33 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2k72 h SER 33 CO -0.01 0.99 0.00 0.00 -0.53 0.00 0.00 176.83 177.29 2k72 n ASP 35 N 0.69 -1.08 0.00 0.00 2.03 0.42 -4.79 116.55 113.82 2k72 n ASP 35 Ca 0.15 -0.94 0.05 0.00 0.52 0.00 0.00 54.79 54.57 2k72 n ASP 35 Cb 0.37 -3.34 0.24 0.00 -0.72 0.00 0.00 41.12 37.67 2k72 n ASP 35 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2k72 n PHE 36 N -4.39 0.00 -1.35 -0.67 3.72 -0.75 -5.01 117.46 109.01 2k72 n PHE 36 Ca -0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 2k72 n PHE 36 Cb 0.66 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 2k72 n PHE 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71