#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lt1 h TYR 2 N 0.00 0.00 0.04 -0.67 -0.00 -2.06 -0.65 116.97 113.64 1lt1 h TYR 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 58.73 58.46 1lt1 h TYR 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 36.73 36.75 1lt1 h TYR 2 CO 0.00 0.02 -1.10 -0.07 -0.00 0.00 0.00 178.16 177.01 1lt1 h LEU 3 N 0.00 0.81 -0.71 0.10 3.38 -2.02 -2.33 115.31 114.54 1lt1 h LEU 3 Ca -0.00 -0.68 0.04 0.00 0.09 0.00 0.00 57.88 57.32 1lt1 h LEU 3 Cb 0.38 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1lt1 h LEU 3 CO 0.00 1.49 0.43 -0.09 0.09 0.00 0.00 178.44 180.36 1lt1 h ARG 4 N 0.31 0.80 -1.00 1.13 2.43 -1.81 -1.46 114.38 114.79 1lt1 h ARG 4 Ca -0.14 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1lt1 h ARG 4 Cb 1.75 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 31.07 1lt1 h ARG 4 CO 0.21 0.53 0.66 0.93 -1.51 0.00 0.00 179.97 180.79 1lt1 h GLU 5 N 0.83 1.30 -0.43 0.20 4.39 -1.03 -0.13 114.58 119.71 1lt1 h GLU 5 Ca 0.29 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1lt1 h GLU 5 Cb 0.07 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1lt1 h GLU 5 CO -0.13 0.86 0.12 -0.07 -1.16 0.00 0.00 179.01 178.63 1lt1 h LEU 6 N 1.34 0.64 -0.41 1.33 3.38 -0.85 -1.01 115.31 119.74 1lt1 h LEU 6 Ca 0.37 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1lt1 h LEU 6 Cb -0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1lt1 h LEU 6 CO -0.08 0.69 0.20 0.25 0.09 0.00 0.00 178.44 179.59 1lt1 h LEU 7 N 0.56 0.30 -0.58 1.67 5.85 -0.65 -0.00 115.31 122.45 1lt1 h LEU 7 Ca 0.14 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1lt1 h LEU 7 Cb 0.29 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1lt1 h LEU 7 CO -0.00 0.22 0.35 0.50 -0.34 0.00 0.00 178.44 179.16 1lt1 h LYS 8 N 0.41 0.66 -0.84 1.25 3.64 -0.84 -0.62 116.57 120.24 1lt1 h LYS 8 Ca 0.18 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1lt1 h LYS 8 Cb 0.08 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1lt1 h LYS 8 CO -0.12 0.44 0.45 -0.07 -2.27 0.00 0.00 179.45 177.87 1lt1 h LEU 9 N 0.68 1.06 -0.62 5.20 3.38 -0.74 -2.04 115.31 122.22 1lt1 h LEU 9 Ca 0.24 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1lt1 h LEU 9 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1lt1 h LEU 9 CO -0.11 0.86 0.22 -0.33 0.09 0.00 0.00 178.44 179.16 1lt1 h GLU 10 N 1.17 0.95 -0.70 1.13 4.39 -0.31 0.49 114.58 121.70 1lt1 h GLU 10 Ca 0.29 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1lt1 h GLU 10 Cb 0.05 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1lt1 h GLU 10 CO -0.04 0.83 0.27 -0.07 -1.16 0.00 0.00 179.01 178.83 1lt1 h LEU 11 N 0.88 0.95 -0.34 1.33 3.38 -0.85 0.27 115.31 120.93 1lt1 h LEU 11 Ca 0.20 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 1lt1 h LEU 11 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1lt1 h LEU 11 CO -0.01 0.86 -0.59 -0.61 0.09 0.00 0.00 178.44 178.17 1lt1 h GLN 12 N 1.01 0.76 -0.50 1.13 5.75 -1.17 -2.30 115.11 119.79 1lt1 h GLN 12 Ca 0.23 -0.51 0.06 0.00 -0.15 0.00 0.00 58.65 58.28 1lt1 h GLN 12 Cb 0.21 0.07 -0.09 0.00 1.07 0.00 0.00 27.48 28.74 1lt1 h GLN 12 CO -0.02 1.13 -0.55 0.78 -2.65 0.00 0.00 178.83 177.52 1lt1 h GLY 13 N 0.80 -0.94 -0.12 2.39 0.00 -0.15 -1.12 103.07 103.92 1lt1 h GLY 13 Ca 0.00 0.72 0.11 0.00 0.00 0.00 0.00 47.33 48.16 1lt1 h GLY 13 CO 0.12 -0.10 -0.14 -2.22 0.00 0.00 0.00 176.54 174.20 1lt1 h ILE 14 N -0.34 0.44 -0.20 2.60 1.08 -0.19 -0.66 117.51 120.26 1lt1 h ILE 14 Ca 0.09 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.61 1lt1 h ILE 14 Cb 0.57 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 1lt1 h ILE 14 CO -0.65 0.00 -0.11 0.50 -0.69 0.00 0.00 178.15 177.20 1lt1 h LYS 15 N -0.00 -0.09 -0.28 2.37 3.64 -0.82 -0.79 116.57 120.60 1lt1 h LYS 15 Ca 0.27 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.51 1lt1 h LYS 15 Cb 0.41 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1lt1 h LYS 15 CO -0.58 -0.06 -0.39 1.96 -2.27 0.00 0.00 179.45 178.11 1lt1 h GLN 16 N -0.09 0.66 -0.31 1.90 1.08 -0.34 -1.57 115.11 116.44 1lt1 h GLN 16 Ca 0.11 -0.34 -0.07 0.00 -1.45 0.00 0.00 58.65 56.90 1lt1 h GLN 16 Cb 0.26 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1lt1 h GLN 16 CO -0.25 0.94 -0.07 1.88 -0.95 0.00 0.00 178.83 180.38 1lt1 h TYR 17 N 0.55 0.66 -0.61 2.96 0.99 -1.00 0.81 116.97 121.32 1lt1 h TYR 17 Ca 0.05 -0.14 -0.07 0.00 2.00 0.00 0.00 58.73 60.57 1lt1 h TYR 17 Cb 0.92 -0.16 -0.03 0.00 1.00 0.00 0.00 36.73 38.46 1lt1 h TYR 17 CO 0.04 0.78 0.12 0.00 -0.00 0.00 0.00 178.16 179.09 1lt1 h ARG 18 N 0.36 0.98 -0.78 4.88 3.08 -0.86 0.17 114.38 122.21 1lt1 h ARG 18 Ca 0.08 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1lt1 h ARG 18 Cb 0.56 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1lt1 h ARG 18 CO 0.03 0.89 0.40 0.93 -1.07 0.00 0.00 179.97 181.16 1lt1 h GLU 19 N 0.93 1.10 -0.21 0.04 5.08 -1.17 -2.40 114.58 117.94 1lt1 h GLU 19 Ca 0.19 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1lt1 h GLU 19 Cb 0.38 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1lt1 h GLU 19 CO 0.01 0.83 -0.33 0.00 -1.00 0.00 0.00 179.01 178.51 1lt1 h ALA 20 N 1.21 1.03 -0.54 3.43 0.00 -0.28 -2.65 119.26 121.46 1lt1 h ALA 20 Ca 0.27 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1lt1 h ALA 20 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1lt1 h ALA 20 CO -0.04 0.59 0.24 1.25 0.00 0.00 0.00 179.25 181.29 1lt1 h LEU 21 N 0.38 0.72 -1.31 0.00 5.85 -0.85 -1.36 115.31 118.74 1lt1 h LEU 21 Ca 0.05 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1lt1 h LEU 21 Cb 0.77 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1lt1 h LEU 21 CO 0.06 0.67 -0.34 -0.33 -0.34 0.00 0.00 178.44 178.16 1lt1 h GLU 22 N 0.73 0.01 0.00 1.25 5.08 -1.27 0.11 114.58 120.48 1lt1 h GLU 22 Ca 0.18 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1lt1 h GLU 22 Cb 0.15 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1lt1 h GLU 22 CO -0.02 0.35 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.23 1lt1 h TYR 23 N 0.01 0.00 0.00 4.33 3.20 -1.18 -3.42 116.97 119.90 1lt1 h TYR 23 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1lt1 h TYR 23 Cb 0.61 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1lt1 h TYR 23 CO 0.00 0.84 -1.53 1.55 -1.64 0.00 0.00 178.16 177.38 1lt1 n VAL 24 N -4.62 0.00 -1.01 1.81 3.14 -0.54 -5.02 118.33 112.10 1lt1 n VAL 24 Ca -0.11 -0.30 -0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1lt1 n VAL 24 Cb 0.41 0.27 -0.00 0.00 -1.06 0.00 0.00 33.84 33.45 1lt1 n VAL 24 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1lt1 n LYS 25 N -1.91 -1.17 -1.80 1.45 5.02 0.37 -4.96 118.16 115.16 1lt1 n LYS 25 Ca -0.02 0.31 -0.42 0.00 -2.02 0.00 0.00 58.31 56.16 1lt1 n LYS 25 Cb 0.34 -4.20 -0.03 0.00 -0.02 0.00 0.00 35.03 31.13 1lt1 n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1lt1 s LEU 26 N -0.07 4.39 0.50 -0.35 1.43 -1.26 -4.88 118.68 118.44 1lt1 s LEU 26 Ca 0.00 2.59 0.25 0.00 -1.03 0.00 0.00 54.13 55.94 1lt1 s LEU 26 Cb 0.00 -3.55 1.33 0.00 0.03 0.00 0.00 46.19 44.00 1lt1 s LEU 26 CO 0.00 -0.98 1.92 -0.65 0.23 0.00 0.00 176.35 176.87 1lt1 h PRO 27 N 9.27 0.13 -0.08 1.29 0.11 -1.98 -1.41 132.00 139.33 1lt1 h PRO 27 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1lt1 h PRO 27 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1lt1 h PRO 27 CO 0.94 0.08 -0.11 -0.24 -0.21 0.00 0.00 178.00 178.47 1lt1 h VAL 28 N 0.13 1.12 0.00 3.15 3.04 -2.00 0.50 116.25 122.19 1lt1 h VAL 28 Ca 0.37 -0.55 -0.11 0.00 -1.01 0.00 0.00 66.70 65.40 1lt1 h VAL 28 Cb 1.28 1.19 -0.02 0.00 -2.01 0.00 0.00 31.29 31.74 1lt1 h VAL 28 CO -0.05 0.17 -0.51 -0.07 -1.01 0.00 0.00 177.57 176.10 1lt1 h LEU 29 N 0.11 0.00 -0.81 3.16 3.38 -1.64 0.57 115.31 120.07 1lt1 h LEU 29 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1lt1 h LEU 29 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1lt1 h LEU 29 CO 0.02 0.51 0.03 0.00 0.09 0.00 0.00 178.44 179.08 1lt1 h ALA 30 N 1.49 1.01 -0.25 1.53 0.00 -0.99 -0.96 119.26 121.09 1lt1 h ALA 30 Ca -0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1lt1 h ALA 30 Cb 0.93 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1lt1 h ALA 30 CO 0.07 0.61 -0.48 -0.22 0.00 0.00 0.00 179.25 179.23 1lt1 h LYS 31 N 0.85 0.67 -0.49 0.00 3.11 -0.46 -2.45 116.57 117.81 1lt1 h LYS 31 Ca 0.16 -0.38 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1lt1 h LYS 31 Cb 0.47 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.70 1lt1 h LYS 31 CO 0.02 1.00 0.31 0.82 -2.81 0.00 0.00 179.45 178.78 1lt1 h ILE 32 N 0.53 1.14 -0.99 2.00 2.04 -0.68 -2.43 117.51 119.11 1lt1 h ILE 32 Ca 0.03 -0.30 0.14 0.00 1.00 0.00 0.00 64.86 65.73 1lt1 h ILE 32 Cb 1.02 0.46 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 1lt1 h ILE 32 CO 0.10 0.14 0.62 -0.07 0.00 0.00 0.00 178.15 178.94 1lt1 h LEU 33 N 0.66 0.87 -1.03 1.44 3.38 -0.93 0.37 115.31 120.07 1lt1 h LEU 33 Ca 0.18 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1lt1 h LEU 33 Cb -0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1lt1 h LEU 33 CO -0.04 0.43 0.04 -0.33 0.09 0.00 0.00 178.44 178.64 1lt1 h GLU 34 N 0.92 0.74 -0.36 1.13 5.08 -0.97 0.12 114.58 121.24 1lt1 h GLU 34 Ca 0.51 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1lt1 h GLU 34 Cb 0.60 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1lt1 h GLU 34 CO -0.28 0.72 -0.38 -0.44 -1.00 0.00 0.00 179.01 177.64 1lt1 h ASP 35 N 0.70 0.95 -0.61 1.42 3.32 -0.74 -2.74 116.42 118.73 1lt1 h ASP 35 Ca 0.15 -0.47 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1lt1 h ASP 35 Cb 0.37 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1lt1 h ASP 35 CO 0.01 1.23 0.20 -0.33 -1.72 0.00 0.00 179.24 178.63 1lt1 h GLU 36 N 0.69 0.98 -0.88 3.56 4.39 -0.63 0.16 114.58 122.85 1lt1 h GLU 36 Ca 0.05 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1lt1 h GLU 36 Cb 0.97 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.43 1lt1 h GLU 36 CO 0.09 0.84 0.53 0.93 -1.16 0.00 0.00 179.01 180.24 1lt1 h GLU 37 N 0.95 1.20 -0.39 2.33 5.08 -0.92 -0.77 114.58 122.06 1lt1 h GLU 37 Ca 0.21 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1lt1 h GLU 37 Cb 0.27 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1lt1 h GLU 37 CO -0.01 0.84 0.04 -0.22 -1.00 0.00 0.00 179.01 178.65 1lt1 h LYS 38 N 1.22 0.66 -0.79 2.33 3.64 -0.89 -2.40 116.57 120.33 1lt1 h LYS 38 Ca 0.32 -0.19 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1lt1 h LYS 38 Cb -0.05 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.63 1lt1 h LYS 38 CO -0.06 0.73 0.44 0.45 -2.27 0.00 0.00 179.45 178.74 1lt1 h HIS 39 N 0.49 0.80 -0.42 1.91 3.86 -0.30 -1.61 115.15 119.89 1lt1 h HIS 39 Ca 0.11 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1lt1 h HIS 39 Cb 0.41 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1lt1 h HIS 39 CO 0.03 0.33 -0.00 0.82 0.86 0.00 0.00 177.93 179.97 1lt1 h ILE 40 N 0.75 1.22 -0.43 2.45 2.04 -1.00 -0.14 117.51 122.41 1lt1 h ILE 40 Ca 0.38 -0.91 -0.15 0.00 1.00 0.00 0.00 64.86 65.18 1lt1 h ILE 40 Cb 0.35 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1lt1 h ILE 40 CO -0.24 0.32 -0.30 -0.08 0.00 0.00 0.00 178.15 177.84 1lt1 h GLU 41 N 0.64 0.96 -0.45 2.37 4.81 -0.83 -0.29 114.58 121.79 1lt1 h GLU 41 Ca 0.13 -0.46 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 1lt1 h GLU 41 Cb 0.40 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1lt1 h GLU 41 CO 0.02 1.13 0.13 -1.49 -0.73 0.00 0.00 179.01 178.06 1lt1 h TRP 42 N 0.81 0.73 -0.51 0.92 6.55 -1.04 -1.88 115.95 121.53 1lt1 h TRP 42 Ca 0.09 -0.08 -0.03 0.00 0.95 0.00 0.00 58.89 59.82 1lt1 h TRP 42 Cb 0.89 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.96 1lt1 h TRP 42 CO 0.06 0.67 0.22 -0.07 -1.05 0.00 0.00 178.44 178.26 1lt1 h LEU 43 N 0.59 0.70 -1.42 -4.49 3.38 -0.85 -1.24 115.31 111.96 1lt1 h LEU 43 Ca 0.14 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1lt1 h LEU 43 Cb 0.29 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1lt1 h LEU 43 CO -0.00 0.66 0.49 -0.33 0.09 0.00 0.00 178.44 179.35 1lt1 h GLU 44 N 0.69 0.62 -0.17 1.13 5.08 -0.85 0.12 114.58 121.20 1lt1 h GLU 44 Ca 0.17 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 1lt1 h GLU 44 Cb 0.17 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1lt1 h GLU 44 CO -0.02 0.41 -0.47 1.15 -1.00 0.00 0.00 179.01 179.09 1lt1 h THR 45 N 0.64 1.33 -0.99 1.13 2.02 -0.79 -2.42 112.91 113.83 1lt1 h THR 45 Ca 0.34 -1.72 0.03 0.00 0.77 0.00 0.00 66.41 65.83 1lt1 h THR 45 Cb 0.48 1.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.80 1lt1 h THR 45 CO -0.12 0.53 0.65 0.40 0.37 0.00 0.00 175.52 177.35 1lt1 h ILE 46 N 0.28 1.19 -0.05 3.11 2.04 -0.63 -2.34 117.51 121.11 1lt1 h ILE 46 Ca -0.01 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1lt1 h ILE 46 Cb 1.09 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1lt1 h ILE 46 CO 0.10 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.66 1lt1 n LEU 47 N -4.43 0.73 0.00 1.44 4.77 0.37 -5.10 117.00 114.78 1lt1 n LEU 47 Ca 0.13 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1lt1 n LEU 47 Cb 0.08 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1lt1 n LEU 47 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.16