#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 1.83 -0.09 1.61 1.03 -0.26 -4.97 118.70 117.84 1le3 s GLU 42 Ca 0.00 -2.08 -0.05 0.00 0.03 0.00 0.00 54.97 52.88 1le3 s GLU 42 Cb 0.00 0.17 -0.04 0.00 -0.80 0.00 0.00 34.13 33.46 1le3 s GLU 42 CO 0.00 -0.64 0.10 -1.58 -1.33 0.00 0.00 175.26 171.80 1le3 s TRP 43 N -3.36 3.44 -0.04 4.83 0.52 -1.26 -0.16 118.94 122.91 1le3 s TRP 43 Ca 0.38 0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.90 1le3 s TRP 43 Cb 0.02 -1.87 0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1le3 s TRP 43 CO 0.26 0.64 -0.03 0.95 0.02 0.00 0.00 176.95 178.79 1le3 s THR 44 N -1.02 0.43 0.37 2.01 -4.23 0.10 -4.92 115.64 108.38 1le3 s THR 44 Ca 0.16 -0.05 -0.26 0.00 -1.18 0.00 0.00 61.69 60.36 1le3 s THR 44 Cb -0.12 -0.48 -0.09 0.00 1.34 0.00 0.00 72.50 73.15 1le3 s THR 44 CO 0.05 0.21 1.07 0.86 -0.54 0.00 0.00 174.62 176.27 1le3 s TRP 45 N 1.02 3.33 -0.44 3.99 -0.11 -1.26 0.06 118.94 125.53 1le3 s TRP 45 Ca -0.10 1.65 0.02 0.00 1.22 0.00 0.00 56.10 58.90 1le3 s TRP 45 Cb -0.14 -3.19 0.15 0.00 -1.50 0.00 0.00 33.47 28.79 1le3 s TRP 45 CO -0.01 -0.67 0.29 0.34 -4.62 0.00 0.00 176.95 172.28 1le3 s ASP 46 N -1.34 3.00 0.55 5.86 -1.08 0.44 -4.91 116.67 119.19 1le3 s ASP 46 Ca 0.54 -2.75 0.36 0.00 -0.52 0.00 0.00 52.55 50.18 1le3 s ASP 46 Cb -0.26 -0.76 1.83 0.00 -1.46 0.00 0.00 42.92 42.27 1le3 s ASP 46 CO 0.32 -0.23 2.10 -0.78 0.52 0.00 0.00 175.17 177.10 1le3 h ASP 47 N 6.38 0.00 0.36 -0.34 3.58 -1.95 -1.09 116.42 123.36 1le3 h ASP 47 Ca 0.10 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 1le3 h ASP 47 Cb 0.92 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1le3 h ASP 47 CO 0.42 0.00 -0.19 0.00 -2.88 0.00 0.00 179.24 176.59 1le3 h ALA 48 N 2.02 1.37 0.00 -0.78 0.00 -1.95 -3.17 119.26 116.76 1le3 h ALA 48 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1le3 h ALA 48 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1le3 h ALA 48 CO 0.00 0.23 -0.19 -2.37 0.00 0.00 0.00 179.25 176.92 1le3 n THR 49 N -3.85 0.65 -3.79 0.00 5.66 -1.16 -5.06 114.28 106.74 1le3 n THR 49 Ca -0.02 -0.76 -0.29 0.00 -3.05 0.00 0.00 64.05 59.94 1le3 n THR 49 Cb 0.28 0.40 0.01 0.00 -1.55 0.00 0.00 70.33 69.47 1le3 n THR 49 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1le3 n LYS 50 N -0.46 -1.00 -4.12 1.09 5.02 -0.45 -5.03 118.16 113.21 1le3 n LYS 50 Ca 0.04 0.43 -0.15 0.00 -2.02 0.00 0.00 58.31 56.61 1le3 n LYS 50 Cb 0.58 -1.98 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 1le3 n LYS 50 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1le3 s THR 51 N -3.15 0.00 -0.04 -0.18 -1.32 -0.95 -5.00 115.64 104.98 1le3 s THR 51 Ca 0.15 -1.67 -0.03 0.00 -1.21 0.00 0.00 61.69 58.93 1le3 s THR 51 Cb -0.08 -2.61 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 1le3 s THR 51 CO 0.82 0.00 0.13 0.26 -2.21 0.00 0.00 174.62 173.62 1le3 s TRP 52 N -3.15 3.47 -0.02 9.09 0.52 -1.26 -0.42 118.94 127.17 1le3 s TRP 52 Ca 0.32 0.35 0.03 0.00 0.02 0.00 0.00 56.10 56.82 1le3 s TRP 52 Cb 0.00 -1.83 -0.00 0.00 -1.15 0.00 0.00 33.47 30.49 1le3 s TRP 52 CO 0.21 0.63 -0.09 0.99 0.02 0.00 0.00 176.95 178.72 1le3 s THR 53 N -1.18 0.72 0.18 2.01 2.01 0.11 -4.93 115.64 114.56 1le3 s THR 53 Ca 0.22 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 1le3 s THR 53 Cb -0.12 -0.63 -0.08 0.00 0.01 0.00 0.00 72.50 71.69 1le3 s THR 53 CO 0.12 0.22 0.98 0.86 -0.69 0.00 0.00 174.62 176.11 1le3 s TRP 54 N 0.02 3.83 -0.17 4.92 -0.11 -1.26 0.01 118.94 126.18 1le3 s TRP 54 Ca -0.00 1.81 0.01 0.00 1.22 0.00 0.00 56.10 59.14 1le3 s TRP 54 Cb -0.06 -3.08 0.01 0.00 -1.50 0.00 0.00 33.47 28.85 1le3 s TRP 54 CO 0.00 0.13 -0.19 0.99 -4.62 0.00 0.00 176.95 173.26 1le3 s THR 55 N -0.55 2.19 0.00 5.86 2.01 0.78 -4.92 115.64 121.01 1le3 s THR 55 Ca 0.45 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1le3 s THR 55 Cb -0.26 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.34 1le3 s THR 55 CO 0.32 0.53 0.36 -1.84 -0.69 0.00 0.00 174.62 173.31