#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 2.16 -0.05 1.61 4.04 -0.87 -5.01 118.70 120.57 1le3 s GLU 42 Ca 0.00 -1.61 0.05 0.00 0.04 0.00 0.00 54.97 53.45 1le3 s GLU 42 Cb 0.00 0.56 -0.02 0.00 0.02 0.00 0.00 34.13 34.69 1le3 s GLU 42 CO 0.00 -0.98 -0.20 -1.58 -1.84 0.00 0.00 175.26 170.66 1le3 s TRP 43 N -2.45 2.54 0.00 4.83 0.52 -1.26 -0.87 118.94 122.25 1le3 s TRP 43 Ca 0.22 -0.44 0.02 0.00 0.02 0.00 0.00 56.10 55.92 1le3 s TRP 43 Cb -0.03 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 1le3 s TRP 43 CO 0.16 -0.03 -0.07 0.99 0.02 0.00 0.00 176.95 178.02 1le3 s THR 44 N -0.43 0.57 0.13 2.01 2.01 -0.03 -4.97 115.64 114.93 1le3 s THR 44 Ca 0.05 -0.42 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 1le3 s THR 44 Cb -0.12 -0.51 -0.07 0.00 0.01 0.00 0.00 72.50 71.81 1le3 s THR 44 CO 0.01 0.09 0.78 0.86 -0.69 0.00 0.00 174.62 175.67 1le3 s TRP 45 N -0.34 3.86 -0.41 4.92 -0.11 -1.26 -0.31 118.94 125.29 1le3 s TRP 45 Ca 0.01 1.60 0.02 0.00 1.22 0.00 0.00 56.10 58.95 1le3 s TRP 45 Cb -0.04 -2.79 0.13 0.00 -1.50 0.00 0.00 33.47 29.27 1le3 s TRP 45 CO -0.00 0.45 0.22 0.34 -4.62 0.00 0.00 176.95 173.34 1le3 s ASP 46 N -0.84 3.58 0.54 5.86 2.15 -0.55 -4.95 116.67 122.47 1le3 s ASP 46 Ca 0.37 -2.47 0.26 0.00 0.43 0.00 0.00 52.55 51.14 1le3 s ASP 46 Cb -0.22 -0.92 1.43 0.00 -0.30 0.00 0.00 42.92 42.90 1le3 s ASP 46 CO 0.26 -0.29 1.98 -0.78 -0.17 0.00 0.00 175.17 176.17 1le3 h ASP 47 N 6.89 0.00 0.00 -0.34 3.58 -1.95 0.20 116.42 124.79 1le3 h ASP 47 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1le3 h ASP 47 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1le3 h ASP 47 CO 0.45 0.00 0.02 0.00 -2.88 0.00 0.00 179.24 176.83 1le3 n ALA 48 N -2.61 0.99 0.00 -0.78 0.00 -1.26 -2.93 120.51 113.92 1le3 n ALA 48 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1le3 n ALA 48 Cb 0.63 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.96 0.00 -3.60 0.00 -2.24 0.33 -5.05 114.28 101.75 1le3 n THR 49 Ca -0.01 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 1le3 n THR 49 Cb 0.04 0.56 0.08 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.61 -7.81 -2.80 -0.78 5.02 0.42 -5.02 118.16 106.59 1le3 n LYS 50 Ca 0.00 0.82 -0.07 0.00 -2.02 0.00 0.00 58.31 57.04 1le3 n LYS 50 Cb 0.00 -5.87 -0.02 0.00 -0.02 0.00 0.00 35.03 29.12 1le3 n LYS 50 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1le3 n THR 51 N -4.99 0.00 -3.68 -0.18 5.66 -1.23 -5.01 114.28 104.86 1le3 n THR 51 Ca 0.01 -0.92 -0.30 0.00 -3.05 0.00 0.00 64.05 59.79 1le3 n THR 51 Cb 0.56 0.50 -0.04 0.00 -1.55 0.00 0.00 70.33 69.80 1le3 n THR 51 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1le3 s TRP 52 N -3.23 3.48 -0.03 1.09 0.52 -1.26 -1.48 118.94 118.02 1le3 s TRP 52 Ca 0.15 0.48 0.03 0.00 0.02 0.00 0.00 56.10 56.78 1le3 s TRP 52 Cb 0.00 -1.95 0.00 0.00 -1.15 0.00 0.00 33.47 30.38 1le3 s TRP 52 CO 0.11 0.41 -0.10 0.95 0.02 0.00 0.00 176.95 178.34 1le3 s THR 53 N -1.73 0.90 -0.08 2.01 -4.23 0.57 -4.93 115.64 108.16 1le3 s THR 53 Ca 0.40 -0.42 -0.26 0.00 -1.18 0.00 0.00 61.69 60.23 1le3 s THR 53 Cb -0.12 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 1le3 s THR 53 CO 0.26 0.28 0.84 0.86 -0.54 0.00 0.00 174.62 176.32 1le3 s TRP 54 N 0.22 3.55 -0.47 3.99 -0.11 -1.26 -0.85 118.94 124.01 1le3 s TRP 54 Ca -0.04 1.41 -0.12 0.00 1.22 0.00 0.00 56.10 58.57 1le3 s TRP 54 Cb -0.10 -2.98 0.10 0.00 -1.50 0.00 0.00 33.47 28.99 1le3 s TRP 54 CO 0.01 -0.05 0.37 0.99 -4.62 0.00 0.00 176.95 173.64 1le3 s THR 55 N 1.31 4.70 -2.00 5.86 2.01 -0.05 -4.98 115.64 122.49 1le3 s THR 55 Ca 0.43 -1.42 0.17 0.00 0.31 0.00 0.00 61.69 61.18 1le3 s THR 55 Cb -0.18 -3.93 0.48 0.00 0.01 0.00 0.00 72.50 68.87 1le3 s THR 55 CO 0.19 -0.66 1.41 -1.84 -0.69 0.00 0.00 174.62 173.03