#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 1.74 -0.19 1.61 -1.05 -0.58 -4.94 118.70 115.29 1le3 s GLU 42 Ca 0.00 -1.92 -0.17 0.00 -0.15 0.00 0.00 54.97 52.73 1le3 s GLU 42 Cb 0.00 -1.42 -0.04 0.00 -0.44 0.00 0.00 34.13 32.23 1le3 s GLU 42 CO 0.00 0.03 0.46 -1.58 0.95 0.00 0.00 175.26 175.12 1le3 s TRP 43 N -2.84 3.38 0.31 4.83 0.52 -1.26 0.16 118.94 124.05 1le3 s TRP 43 Ca 0.32 0.70 0.08 0.00 0.02 0.00 0.00 56.10 57.23 1le3 s TRP 43 Cb 0.05 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 1le3 s TRP 43 CO 0.15 -0.04 0.16 0.99 0.02 0.00 0.00 176.95 178.24 1le3 s THR 44 N 1.40 3.43 -0.32 2.01 2.01 0.98 -4.91 115.64 120.23 1le3 s THR 44 Ca 0.22 -1.62 -0.12 0.00 0.31 0.00 0.00 61.69 60.49 1le3 s THR 44 Cb -0.15 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 1le3 s THR 44 CO 0.09 -0.24 0.20 0.86 -0.69 0.00 0.00 174.62 174.84 1le3 s TRP 45 N -2.34 3.21 -0.92 4.92 -0.11 -1.26 -0.37 118.94 122.08 1le3 s TRP 45 Ca 0.37 -0.27 -0.11 0.00 1.22 0.00 0.00 56.10 57.30 1le3 s TRP 45 Cb -0.05 -2.42 0.24 0.00 -1.50 0.00 0.00 33.47 29.74 1le3 s TRP 45 CO 0.23 -0.36 0.87 0.34 -4.62 0.00 0.00 176.95 173.41 1le3 s ASP 46 N 1.69 6.85 0.30 5.86 2.15 0.23 -4.87 116.67 128.88 1le3 s ASP 46 Ca 0.06 -3.04 0.19 0.00 0.43 0.00 0.00 52.55 50.19 1le3 s ASP 46 Cb -0.17 -2.18 1.05 0.00 -0.30 0.00 0.00 42.92 41.32 1le3 s ASP 46 CO 0.09 -0.45 1.58 -0.67 -0.17 0.00 0.00 175.17 175.55 1le3 n ASP 47 N 3.46 0.50 0.30 -0.34 2.03 -1.26 -0.67 116.55 120.57 1le3 n ASP 47 Ca 0.17 0.73 0.15 0.00 0.52 0.00 0.00 54.79 56.36 1le3 n ASP 47 Cb 0.44 -0.78 0.91 0.00 -0.72 0.00 0.00 41.12 40.96 1le3 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1le3 h ALA 48 N 1.92 1.49 0.00 -1.67 0.00 -1.94 -3.30 119.26 115.75 1le3 h ALA 48 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1le3 h ALA 48 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1le3 h ALA 48 CO 0.00 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.52 1le3 n THR 49 N -3.81 0.00 -2.51 0.00 -2.24 -0.98 -5.07 114.28 99.68 1le3 n THR 49 Ca -0.03 -0.08 -0.08 0.00 -2.27 0.00 0.00 64.05 61.59 1le3 n THR 49 Cb 0.10 1.36 0.04 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.10 -1.91 -4.24 -0.78 4.01 0.15 -5.09 118.16 110.20 1le3 n LYS 50 Ca 0.00 0.44 -0.15 0.00 -0.51 0.00 0.00 58.31 58.09 1le3 n LYS 50 Cb 0.09 -3.88 -0.09 0.00 -0.51 0.00 0.00 35.03 30.63 1le3 n LYS 50 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1le3 s THR 51 N -3.19 0.03 0.05 -0.18 -1.32 -0.98 -5.00 115.64 105.04 1le3 s THR 51 Ca 0.15 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.60 1le3 s THR 51 Cb -0.02 -2.50 -0.05 0.00 -1.51 0.00 0.00 72.50 68.42 1le3 s THR 51 CO 0.38 0.00 0.26 0.26 -2.21 0.00 0.00 174.62 173.30 1le3 s TRP 52 N -3.83 3.53 0.07 9.09 0.52 -1.26 -0.60 118.94 126.46 1le3 s TRP 52 Ca 0.39 0.43 0.03 0.00 0.02 0.00 0.00 56.10 56.98 1le3 s TRP 52 Cb 0.05 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.44 1le3 s TRP 52 CO 0.19 0.58 -0.09 -0.08 0.02 0.00 0.00 176.95 177.56 1le3 s THR 53 N -1.44 0.74 0.19 2.01 -1.32 0.50 -4.87 115.64 111.46 1le3 s THR 53 Ca 0.32 -1.43 -0.15 0.00 -1.21 0.00 0.00 61.69 59.23 1le3 s THR 53 Cb -0.13 -1.08 -0.07 0.00 -1.51 0.00 0.00 72.50 69.71 1le3 s THR 53 CO 0.22 -0.51 0.61 0.86 -2.21 0.00 0.00 174.62 173.58 1le3 s TRP 54 N -2.11 3.57 -0.31 9.09 -0.11 -1.26 -0.01 118.94 127.79 1le3 s TRP 54 Ca -0.01 1.12 0.02 0.00 1.22 0.00 0.00 56.10 58.45 1le3 s TRP 54 Cb -0.05 -2.42 0.09 0.00 -1.50 0.00 0.00 33.47 29.59 1le3 s TRP 54 CO -0.01 0.35 0.05 0.99 -4.62 0.00 0.00 176.95 173.72 1le3 s THR 55 N -1.57 1.60 0.00 5.86 2.01 0.12 -4.85 115.64 118.81 1le3 s THR 55 Ca 0.42 -1.79 0.00 0.00 0.31 0.00 0.00 61.69 60.63 1le3 s THR 55 Cb -0.14 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.23 1le3 s THR 55 CO 0.20 -0.55 0.05 -1.84 -0.69 0.00 0.00 174.62 171.79