#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1le3 s GLU 42 N 0.00 1.58 -0.02 1.61 4.04 -0.36 -5.00 118.70 120.55 1le3 s GLU 42 Ca 0.00 -1.63 0.07 0.00 0.04 0.00 0.00 54.97 53.45 1le3 s GLU 42 Cb 0.00 0.38 -0.02 0.00 0.02 0.00 0.00 34.13 34.51 1le3 s GLU 42 CO 0.00 -0.61 -0.23 -1.58 -1.84 0.00 0.00 175.26 171.00 1le3 s TRP 43 N -3.68 2.44 0.19 4.83 0.52 -1.26 -0.22 118.94 121.76 1le3 s TRP 43 Ca 0.33 -0.36 -0.00 0.00 0.02 0.00 0.00 56.10 56.09 1le3 s TRP 43 Cb 0.02 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1le3 s TRP 43 CO 0.16 0.04 0.09 -0.08 0.02 0.00 0.00 176.95 177.18 1le3 s THR 44 N -0.67 0.21 0.24 2.01 -1.32 0.14 -4.95 115.64 111.30 1le3 s THR 44 Ca 0.11 -1.98 -0.12 0.00 -1.21 0.00 0.00 61.69 58.49 1le3 s THR 44 Cb -0.10 -2.37 -0.08 0.00 -1.51 0.00 0.00 72.50 68.44 1le3 s THR 44 CO -0.00 -0.17 0.60 0.86 -2.21 0.00 0.00 174.62 173.70 1le3 s TRP 45 N -3.99 3.45 -0.37 9.09 -0.11 -1.26 -0.07 118.94 125.68 1le3 s TRP 45 Ca 0.33 1.00 0.00 0.00 1.22 0.00 0.00 56.10 58.66 1le3 s TRP 45 Cb 0.07 -2.35 0.13 0.00 -1.50 0.00 0.00 33.47 29.82 1le3 s TRP 45 CO 0.09 0.26 0.20 0.34 -4.62 0.00 0.00 176.95 173.21 1le3 s ASP 46 N -2.21 3.33 0.57 5.86 -1.08 -0.58 -4.87 116.67 117.69 1le3 s ASP 46 Ca 0.47 -2.18 0.27 0.00 -0.52 0.00 0.00 52.55 50.59 1le3 s ASP 46 Cb -0.12 -0.63 1.57 0.00 -1.46 0.00 0.00 42.92 42.28 1le3 s ASP 46 CO 0.20 -0.32 2.08 0.44 0.52 0.00 0.00 175.17 178.09 1le3 h ASP 47 N 7.17 0.00 0.00 -0.34 3.32 -1.96 0.21 116.42 124.82 1le3 h ASP 47 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1le3 h ASP 47 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1le3 h ASP 47 CO 0.37 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1le3 n ALA 48 N -2.41 2.08 0.00 3.45 0.00 -1.26 -3.30 120.51 119.07 1le3 n ALA 48 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1le3 n ALA 48 Cb 0.36 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1le3 n ALA 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1le3 n THR 49 N -0.95 0.00 -2.96 0.00 -2.24 0.46 -5.03 114.28 103.56 1le3 n THR 49 Ca 0.11 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 1le3 n THR 49 Cb 0.05 0.05 0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1le3 n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1le3 n LYS 50 N -0.49 -4.02 -4.56 -0.78 4.76 0.30 -5.02 118.16 108.35 1le3 n LYS 50 Ca 0.00 0.83 -0.26 0.00 -2.87 0.00 0.00 58.31 56.01 1le3 n LYS 50 Cb 0.03 -5.62 -0.09 0.00 -1.84 0.00 0.00 35.03 27.50 1le3 n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1le3 s THR 51 N -3.08 1.13 -0.08 -0.18 -4.23 -1.23 -5.01 115.64 102.97 1le3 s THR 51 Ca 0.26 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1le3 s THR 51 Cb -0.12 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 1le3 s THR 51 CO 0.32 0.00 0.23 0.26 -0.54 0.00 0.00 174.62 174.89 1le3 s TRP 52 N -3.10 3.64 0.01 3.99 0.52 -1.26 -1.52 118.94 121.21 1le3 s TRP 52 Ca 0.26 0.69 0.05 0.00 0.02 0.00 0.00 56.10 57.12 1le3 s TRP 52 Cb 0.06 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 1le3 s TRP 52 CO 0.13 0.69 -0.15 0.99 0.02 0.00 0.00 176.95 178.64 1le3 s THR 53 N -1.00 1.15 -0.18 2.01 2.01 0.90 -4.95 115.64 115.58 1le3 s THR 53 Ca 0.18 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 1le3 s THR 53 Cb -0.14 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1le3 s THR 53 CO 0.07 0.22 0.47 0.86 -0.69 0.00 0.00 174.62 175.55 1le3 s TRP 54 N -0.50 3.41 -0.47 4.92 -0.11 -1.26 -0.69 118.94 124.24 1le3 s TRP 54 Ca 0.05 0.76 -0.15 0.00 1.22 0.00 0.00 56.10 57.97 1le3 s TRP 54 Cb -0.06 -2.59 0.08 0.00 -1.50 0.00 0.00 33.47 29.40 1le3 s TRP 54 CO 0.00 0.01 0.39 0.99 -4.62 0.00 0.00 176.95 173.72 1le3 s THR 55 N 1.24 5.14 -2.00 5.86 2.01 0.70 -4.98 115.64 123.61 1le3 s THR 55 Ca 0.23 -1.13 0.19 0.00 0.31 0.00 0.00 61.69 61.29 1le3 s THR 55 Cb -0.15 -4.09 0.55 0.00 0.01 0.00 0.00 72.50 68.82 1le3 s THR 55 CO 0.09 -0.60 1.55 1.21 -0.69 0.00 0.00 174.62 176.19