#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 1.09 0.21 1.61 -1.05 -0.21 -5.01 118.70 115.34 1le3 s GLU 42 Ca 0.00 -1.16 -0.12 0.00 -0.15 0.00 0.00 54.97 53.54 1le3 s GLU 42 Cb 0.00 0.36 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 1le3 s GLU 42 CO 0.00 -0.39 0.57 -1.58 0.95 0.00 0.00 175.26 174.82 1le3 s TRP 43 N -3.96 3.48 -0.00 4.83 0.52 -1.26 -0.65 118.94 121.89 1le3 s TRP 43 Ca 0.16 0.98 0.02 0.00 0.02 0.00 0.00 56.10 57.28 1le3 s TRP 43 Cb 0.04 -2.33 -0.00 0.00 -1.15 0.00 0.00 33.47 30.02 1le3 s TRP 43 CO -0.01 0.30 -0.06 0.99 0.02 0.00 0.00 176.95 178.19 1le3 s THR 44 N -1.72 0.44 -0.02 2.01 2.01 0.84 -4.87 115.64 114.33 1le3 s THR 44 Ca 0.45 -0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.96 1le3 s THR 44 Cb -0.12 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1le3 s THR 44 CO 0.20 0.13 0.78 0.86 -0.69 0.00 0.00 174.62 175.89 1le3 s TRP 45 N -0.11 3.64 -0.47 4.92 -0.11 -1.26 -0.80 118.94 124.76 1le3 s TRP 45 Ca 0.02 1.41 0.01 0.00 1.22 0.00 0.00 56.10 58.76 1le3 s TRP 45 Cb -0.02 -2.87 0.12 0.00 -1.50 0.00 0.00 33.47 29.20 1le3 s TRP 45 CO -0.00 0.13 0.23 0.34 -4.62 0.00 0.00 176.95 173.02 1le3 s ASP 46 N 0.57 4.85 0.58 5.86 2.15 -0.56 -4.95 116.67 125.17 1le3 s ASP 46 Ca 0.41 -2.52 0.28 0.00 0.43 0.00 0.00 52.55 51.15 1le3 s ASP 46 Cb -0.19 -1.72 1.51 0.00 -0.30 0.00 0.00 42.92 42.22 1le3 s ASP 46 CO 0.22 -0.37 1.97 -2.24 -0.17 0.00 0.00 175.17 174.57 1le3 h ASP 47 N 7.27 0.00 0.24 -0.34 2.03 -1.96 0.22 116.42 123.87 1le3 h ASP 47 Ca -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1le3 h ASP 47 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1le3 h ASP 47 CO 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.86 1le3 n ALA 48 N -2.40 1.32 -0.01 4.15 0.00 -1.26 -3.95 120.51 118.36 1le3 n ALA 48 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1le3 n ALA 48 Cb 0.57 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.51 0.00 -3.70 0.00 -2.24 0.51 -5.05 114.28 102.29 1le3 n THR 49 Ca 0.02 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.57 1le3 n THR 49 Cb 0.08 0.17 0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.00 -5.57 -4.16 -0.78 4.01 0.27 -5.03 118.16 106.90 1le3 n LYS 50 Ca 0.00 0.67 -0.11 0.00 -0.51 0.00 0.00 58.31 58.35 1le3 n LYS 50 Cb 0.00 -5.41 -0.09 0.00 -0.51 0.00 0.00 35.03 29.02 1le3 n LYS 50 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1le3 s THR 51 N -3.51 0.00 -0.06 -0.18 2.01 -1.24 -5.02 115.64 107.63 1le3 s THR 51 Ca 0.20 -1.89 -0.11 0.00 0.31 0.00 0.00 61.69 60.20 1le3 s THR 51 Cb -0.10 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1le3 s THR 51 CO 0.80 0.00 0.27 0.26 -0.69 0.00 0.00 174.62 175.25 1le3 s TRP 52 N -4.13 3.66 0.07 4.92 0.52 -1.26 -1.49 118.94 121.23 1le3 s TRP 52 Ca 0.36 0.75 0.02 0.00 0.02 0.00 0.00 56.10 57.24 1le3 s TRP 52 Cb 0.05 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1le3 s TRP 52 CO 0.12 0.69 -0.06 0.99 0.02 0.00 0.00 176.95 178.70 1le3 s THR 53 N -1.03 0.57 -0.15 2.01 2.01 0.02 -4.95 115.64 114.12 1le3 s THR 53 Ca 0.19 -1.60 -0.07 0.00 0.31 0.00 0.00 61.69 60.53 1le3 s THR 53 Cb -0.14 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1le3 s THR 53 CO 0.08 -0.71 0.07 0.86 -0.69 0.00 0.00 174.62 174.24 1le3 s TRP 54 N -2.82 3.32 -0.22 4.92 -0.11 -1.26 -0.11 118.94 122.66 1le3 s TRP 54 Ca 0.03 0.22 0.00 0.00 1.22 0.00 0.00 56.10 57.57 1le3 s TRP 54 Cb -0.00 -2.00 0.03 0.00 -1.50 0.00 0.00 33.47 29.99 1le3 s TRP 54 CO -0.03 0.35 -0.12 0.99 -4.62 0.00 0.00 176.95 173.51 1le3 s THR 55 N -0.16 2.45 -2.00 5.86 2.01 0.17 -4.94 115.64 119.04 1le3 s THR 55 Ca 0.08 -1.07 0.27 0.00 0.31 0.00 0.00 61.69 61.28 1le3 s THR 55 Cb -0.12 -2.19 0.78 0.00 0.01 0.00 0.00 72.50 70.97 1le3 s THR 55 CO 0.01 0.31 1.98 1.21 -0.69 0.00 0.00 174.62 177.43