#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1la4 s ARG 3 N -2.00 1.28 0.00 0.00 0.52 -1.24 -4.81 118.95 112.69 1la4 s ARG 3 Ca 0.02 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 53.72 1la4 s ARG 3 Cb -0.00 -1.14 0.00 0.00 0.52 0.00 0.00 34.95 34.33 1la4 s ARG 3 CO 0.00 0.20 0.00 0.66 0.02 0.00 0.00 175.30 176.19 1la4 n TYR 4 N -0.11 0.00 -1.33 -0.53 4.01 -1.26 -2.19 117.16 115.75 1la4 n TYR 4 Ca -0.10 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.27 1la4 n TYR 4 Cb 0.59 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.68 1la4 n TYR 4 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1la4 n LEU 5 N 0.00 1.14 -3.05 7.72 4.32 -1.24 -1.98 117.00 123.92 1la4 n LEU 5 Ca 0.00 0.64 -0.18 0.00 -0.02 0.00 0.00 56.01 56.45 1la4 n LEU 5 Cb 0.00 -1.23 -0.01 0.00 -1.62 0.00 0.00 43.42 40.56 1la4 n LEU 5 CO 0.00 -2.97 -0.07 0.49 -1.22 0.00 0.00 177.39 173.62 1la4 n PHE 6 N -2.21 -1.69 -2.86 -1.77 3.72 0.69 -4.80 117.46 108.54 1la4 n PHE 6 Ca 0.11 0.28 -0.42 0.00 -0.05 0.00 0.00 57.45 57.37 1la4 n PHE 6 Cb 0.49 -2.48 -0.04 0.00 -0.94 0.00 0.00 39.48 36.51 1la4 n PHE 6 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1la4 s GLY 7 N -2.45 1.75 -0.75 1.37 0.00 -0.84 -4.66 107.32 101.74 1la4 s GLY 7 Ca 0.25 -0.10 -0.35 0.00 0.00 0.00 0.00 44.72 44.53 1la4 s GLY 7 CO 0.31 1.86 2.46 0.61 0.00 0.00 0.00 173.10 178.35 1la4 n GLY 8 N 3.71 -0.24 3.22 0.20 0.00 -1.26 -2.08 105.19 108.73 1la4 n GLY 8 Ca 0.06 1.09 -0.13 0.00 0.00 0.00 0.00 46.02 47.04 1la4 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1la4 n LYS 10 N -0.05 1.52 -3.60 0.00 4.81 -1.26 -4.12 118.16 115.47 1la4 n LYS 10 Ca -0.12 -0.31 -0.10 0.00 -0.87 0.00 0.00 58.31 56.91 1la4 n LYS 10 Cb 0.60 -0.80 -0.03 0.00 0.02 0.00 0.00 35.03 34.82 1la4 n LYS 10 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1la4 s THR 11 N -0.31 0.01 0.38 3.15 -4.23 -1.26 -5.03 115.64 108.35 1la4 s THR 11 Ca 0.00 -0.43 0.12 0.00 -1.18 0.00 0.00 61.69 60.19 1la4 s THR 11 Cb 0.00 -1.36 0.11 0.00 1.34 0.00 0.00 72.50 72.59 1la4 s THR 11 CO 0.00 -0.05 1.86 0.71 -0.54 0.00 0.00 174.62 176.60 1la4 h THR 12 N 2.07 1.23 0.00 3.99 1.35 -1.94 -2.03 112.91 117.57 1la4 h THR 12 Ca -0.29 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1la4 h THR 12 Cb 1.28 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1la4 h THR 12 CO 0.35 0.32 0.00 0.00 -0.25 0.00 0.00 175.52 175.94 1la4 n ALA 13 N -2.48 2.26 1.16 6.62 0.00 -1.26 -2.56 120.51 124.24 1la4 n ALA 13 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1la4 n ALA 13 Cb 0.36 -1.27 0.23 0.00 0.00 0.00 0.00 19.45 18.77 1la4 n ALA 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1la4 n ASP 14 N -0.90 2.40 -4.81 0.00 8.00 -0.76 -4.94 116.55 115.53 1la4 n ASP 14 Ca 0.13 -1.77 -0.24 0.00 0.71 0.00 0.00 54.79 53.62 1la4 n ASP 14 Cb 0.06 0.04 0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1la4 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1la4 n LYS 17 N -1.56 1.95 0.00 0.00 5.02 -1.26 -3.75 118.16 118.55 1la4 n LYS 17 Ca 0.02 -1.33 0.00 0.00 -2.02 0.00 0.00 58.31 54.98 1la4 n LYS 17 Cb 0.07 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1la4 n LYS 17 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1la4 n HIS 18 N 1.60 0.00 -2.21 2.13 8.25 -1.26 -5.13 115.22 118.61 1la4 n HIS 18 Ca 0.37 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.56 1la4 n HIS 18 Cb 0.71 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.86 1la4 n HIS 18 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1la4 s LEU 19 N -2.38 3.01 -0.20 2.41 1.02 -1.25 -3.95 118.68 117.34 1la4 s LEU 19 Ca 0.00 0.74 -0.02 0.00 0.02 0.00 0.00 54.13 54.87 1la4 s LEU 19 Cb 0.00 -3.50 0.06 0.00 0.02 0.00 0.00 46.19 42.77 1la4 s LEU 19 CO 0.00 -1.31 0.01 0.00 0.02 0.00 0.00 176.35 175.07 1la4 s ALA 20 N -3.17 1.22 -0.70 4.21 0.00 -0.08 -4.70 121.76 118.54 1la4 s ALA 20 Ca 0.57 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 51.43 1la4 s ALA 20 Cb -0.11 -1.24 -0.14 0.00 0.00 0.00 0.00 23.12 21.64 1la4 s ALA 20 CO 0.47 -1.17 2.45 0.00 0.00 0.00 0.00 175.76 177.51 1la4 s ARG 22 N 8.47 4.62 0.11 0.00 0.52 0.60 -4.46 118.95 128.81 1la4 s ARG 22 Ca 1.07 1.65 0.20 0.00 -0.52 0.00 0.00 55.73 58.13 1la4 s ARG 22 Cb -0.43 -3.31 0.81 0.00 0.52 0.00 0.00 34.95 32.54 1la4 s ARG 22 CO 0.29 0.10 1.61 0.43 0.02 0.00 0.00 175.30 177.75 1la4 n SER 23 N 2.55 0.30 -3.55 0.23 7.64 -1.26 -2.06 113.62 117.46 1la4 n SER 23 Ca 0.03 0.57 -0.41 0.00 1.01 0.00 0.00 58.87 60.07 1la4 n SER 23 Cb 0.47 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 63.02 1la4 n SER 23 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1la4 n ASP 24 N -1.82 5.84 0.00 6.43 2.03 -1.26 -3.46 116.55 124.31 1la4 n ASP 24 Ca 0.03 -2.72 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1la4 n ASP 24 Cb 0.22 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.02 1la4 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1la4 n GLY 25 N 3.89 1.17 3.27 0.27 0.00 -1.26 -4.79 105.19 107.74 1la4 n GLY 25 Ca 0.63 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 1la4 n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1la4 n LYS 26 N 0.00 -1.75 -3.85 1.61 5.02 -0.88 -4.90 118.16 113.41 1la4 n LYS 26 Ca 0.00 1.02 -0.12 0.00 -2.02 0.00 0.00 58.31 57.20 1la4 n LYS 26 Cb 0.00 -5.41 -0.12 0.00 -0.02 0.00 0.00 35.03 29.47 1la4 n LYS 26 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1la4 s TYR 27 N -3.25 -0.07 -0.08 2.13 1.13 -1.03 -2.07 117.35 114.11 1la4 s TYR 27 Ca 0.28 0.18 -0.24 0.00 -1.41 0.00 0.00 57.07 55.88 1la4 s TYR 27 Cb -0.05 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.79 1la4 s TYR 27 CO 0.77 -0.10 0.72 0.00 -2.51 0.00 0.00 175.55 174.43 1la4 s ALA 29 N 1.00 -1.04 0.74 0.00 0.00 -1.08 0.25 121.76 121.63 1la4 s ALA 29 Ca 0.37 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.70 1la4 s ALA 29 Cb -0.18 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 21.97 1la4 s ALA 29 CO 0.17 -0.39 1.12 1.67 0.00 0.00 0.00 175.76 178.33 1la4 s TRP 30 N 1.72 3.17 -0.78 0.00 -2.14 -1.25 -0.91 118.94 118.75 1la4 s TRP 30 Ca -0.07 0.99 0.25 0.00 2.66 0.00 0.00 56.10 59.93 1la4 s TRP 30 Cb -0.09 -3.18 0.57 0.00 -3.10 0.00 0.00 33.47 27.67 1la4 s TRP 30 CO -0.12 -1.40 1.50 -3.47 -2.66 0.00 0.00 176.95 170.79 1la4 n ASP 31 N -3.14 0.58 0.00 -2.66 2.03 -1.26 -4.87 116.55 107.24 1la4 n ASP 31 Ca 0.07 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1la4 n ASP 31 Cb 0.58 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1la4 n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1la4 n GLY 32 N 1.39 3.14 0.00 0.27 0.00 -1.26 -5.03 105.19 103.69 1la4 n GLY 32 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1la4 n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1la4 n THR 33 N 0.00 0.00 -0.39 2.61 -2.24 -1.26 -5.20 114.28 107.80 1la4 n THR 33 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1la4 n THR 33 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1la4 n THR 33 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83