#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 0.26 -0.16 1.24 -0.00 -2.05 -2.56 116.97 113.69 1lt1 h TYR 2 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 58.73 58.54 1lt1 h TYR 2 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 36.73 36.66 1lt1 h TYR 2 CO 0.00 0.50 -0.50 -0.07 -0.00 0.00 0.00 178.16 178.09 1lt1 h LEU 3 N 0.21 0.46 -1.16 0.10 3.38 -2.01 -1.52 115.31 114.77 1lt1 h LEU 3 Ca 0.03 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1lt1 h LEU 3 Cb 0.62 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1lt1 h LEU 3 CO 0.04 0.89 -0.25 0.03 0.09 0.00 0.00 178.44 179.24 1lt1 h ARG 4 N 0.34 0.27 -0.08 1.13 3.08 -1.92 -0.55 114.38 116.65 1lt1 h ARG 4 Ca 0.01 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.78 1lt1 h ARG 4 Cb 1.00 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.04 1lt1 h ARG 4 CO 0.09 0.51 -0.70 1.49 -1.07 0.00 0.00 179.97 180.30 1lt1 h GLU 5 N 0.25 0.61 -0.57 0.04 4.57 -1.17 -1.21 114.58 117.10 1lt1 h GLU 5 Ca 0.04 -0.55 0.02 0.00 -1.18 0.00 0.00 59.36 57.69 1lt1 h GLU 5 Cb 0.58 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 1lt1 h GLU 5 CO 0.04 1.17 0.35 -0.07 -1.18 0.00 0.00 179.01 179.32 1lt1 h LEU 6 N 0.24 0.58 -0.62 1.64 3.38 -1.08 -0.26 115.31 119.21 1lt1 h LEU 6 Ca -0.06 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1lt1 h LEU 6 Cb 1.35 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1lt1 h LEU 6 CO 0.14 0.41 0.18 0.25 0.09 0.00 0.00 178.44 179.51 1lt1 h LEU 7 N 0.70 0.91 -0.49 1.67 5.85 -0.86 -0.45 115.31 122.65 1lt1 h LEU 7 Ca 0.22 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1lt1 h LEU 7 Cb -0.00 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1lt1 h LEU 7 CO -0.09 0.89 0.13 0.50 -0.34 0.00 0.00 178.44 179.53 1lt1 h LYS 8 N 0.89 0.27 -0.63 1.25 3.64 -0.80 -1.79 116.57 119.39 1lt1 h LYS 8 Ca 0.20 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1lt1 h LYS 8 Cb 0.31 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1lt1 h LYS 8 CO -0.00 0.18 0.22 -0.07 -2.27 0.00 0.00 179.45 177.50 1lt1 h LEU 9 N 0.27 0.90 -1.05 5.20 3.38 -0.56 -2.46 115.31 120.99 1lt1 h LEU 9 Ca 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1lt1 h LEU 9 Cb 0.30 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1lt1 h LEU 9 CO -0.29 0.85 0.50 -0.33 0.09 0.00 0.00 178.44 179.26 1lt1 h GLU 10 N 0.89 1.15 -0.21 1.13 4.39 -0.44 -1.05 114.58 120.45 1lt1 h GLU 10 Ca 0.20 -0.11 -0.18 0.00 0.34 0.00 0.00 59.36 59.62 1lt1 h GLU 10 Cb 0.26 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1lt1 h GLU 10 CO -0.01 0.81 -0.56 -0.07 -1.16 0.00 0.00 179.01 178.02 1lt1 h LEU 11 N 1.17 0.85 -0.74 1.33 3.38 -1.16 0.19 115.31 120.33 1lt1 h LEU 11 Ca 0.30 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1lt1 h LEU 11 Cb -0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1lt1 h LEU 11 CO -0.05 1.28 0.44 1.56 0.09 0.00 0.00 178.44 181.75 1lt1 h GLN 12 N 0.47 0.80 -0.39 1.13 4.20 -1.21 -2.21 115.11 117.90 1lt1 h GLN 12 Ca -0.01 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.72 1lt1 h GLN 12 Cb 1.18 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.71 1lt1 h GLN 12 CO 0.12 0.53 -0.02 0.78 -0.67 0.00 0.00 178.83 179.57 1lt1 h GLY 13 N 0.83 0.37 1.79 3.46 0.00 -0.83 -2.74 103.07 105.95 1lt1 h GLY 13 Ca 0.32 0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.59 1lt1 h GLY 13 CO -0.16 -0.11 -0.50 -2.22 0.00 0.00 0.00 176.54 173.55 1lt1 h ILE 14 N 0.08 1.35 -0.50 2.60 2.04 -0.14 -2.04 117.51 120.91 1lt1 h ILE 14 Ca 0.19 -1.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.29 1lt1 h ILE 14 Cb 0.28 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1lt1 h ILE 14 CO -0.34 0.51 0.20 0.50 0.00 0.00 0.00 178.15 179.02 1lt1 h LYS 15 N 0.18 0.74 -0.42 2.37 3.64 -1.19 0.90 116.57 122.79 1lt1 h LYS 15 Ca 0.01 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1lt1 h LYS 15 Cb 0.95 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1lt1 h LYS 15 CO 0.08 0.66 0.06 1.96 -2.27 0.00 0.00 179.45 179.93 1lt1 h GLN 16 N 0.66 0.71 -0.72 1.90 1.08 -1.25 -1.29 115.11 116.20 1lt1 h GLN 16 Ca 0.17 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1lt1 h GLN 16 Cb 0.19 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1lt1 h GLN 16 CO -0.01 0.75 0.37 1.88 -0.95 0.00 0.00 178.83 180.86 1lt1 h TYR 17 N 0.56 1.02 -0.71 2.96 -1.99 -1.17 -0.31 116.97 117.32 1lt1 h TYR 17 Ca 0.13 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1lt1 h TYR 17 Cb 0.39 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 1lt1 h TYR 17 CO 0.03 0.73 0.40 0.00 -0.00 0.00 0.00 178.16 179.32 1lt1 h ARG 18 N 1.00 0.99 -0.39 4.88 3.08 -0.70 0.21 114.38 123.46 1lt1 h ARG 18 Ca 0.25 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1lt1 h ARG 18 Cb 0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1lt1 h ARG 18 CO -0.04 0.74 0.18 0.93 -1.07 0.00 0.00 179.97 180.71 1lt1 h GLU 19 N 0.98 0.56 -0.28 0.04 5.08 -0.81 -2.83 114.58 117.33 1lt1 h GLU 19 Ca 0.25 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1lt1 h GLU 19 Cb 0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1lt1 h GLU 19 CO -0.04 0.50 0.12 0.00 -1.00 0.00 0.00 179.01 178.59 1lt1 h ALA 20 N 1.03 0.36 -0.76 3.43 0.00 -0.78 -2.89 119.26 119.65 1lt1 h ALA 20 Ca 0.13 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1lt1 h ALA 20 Cb 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1lt1 h ALA 20 CO -0.02 -0.05 0.50 1.25 0.00 0.00 0.00 179.25 180.94 1lt1 h LEU 21 N 0.31 0.88 -1.27 0.00 6.46 -0.95 0.48 115.31 121.21 1lt1 h LEU 21 Ca 0.09 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1lt1 h LEU 21 Cb 0.16 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1lt1 h LEU 21 CO -0.01 0.64 0.25 -0.08 -0.62 0.00 0.00 178.44 178.62 1lt1 h GLU 22 N 1.03 0.75 0.07 1.25 4.81 -1.30 -3.31 114.58 117.88 1lt1 h GLU 22 Ca 0.28 -0.09 -0.24 0.00 -0.13 0.00 0.00 59.36 59.17 1lt1 h GLU 22 Cb -0.12 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1lt1 h GLU 22 CO -0.06 0.59 -1.29 -0.92 -0.73 0.00 0.00 179.01 176.60 1lt1 h TYR 23 N 0.75 0.25 -2.51 0.92 3.20 -1.07 -3.47 116.97 115.04 1lt1 h TYR 23 Ca 0.19 -0.18 -0.59 0.00 3.14 0.00 0.00 58.73 61.28 1lt1 h TYR 23 Cb 0.09 -0.01 -0.12 0.00 1.54 0.00 0.00 36.73 38.23 1lt1 h TYR 23 CO 0.01 1.50 -0.69 0.08 -1.64 0.00 0.00 178.16 177.42 1lt1 s VAL 24 N -2.42 3.26 -0.45 1.81 1.01 0.04 -5.04 120.40 118.61 1lt1 s VAL 24 Ca -0.23 -1.86 0.04 0.00 0.00 0.00 0.00 61.98 59.93 1lt1 s VAL 24 Cb 0.04 -2.69 0.44 0.00 0.00 0.00 0.00 36.38 34.17 1lt1 s VAL 24 CO 0.70 -0.27 1.38 0.29 0.00 0.00 0.00 175.10 177.20 1lt1 n LYS 25 N -0.51 3.33 -2.41 2.72 4.01 -1.26 -4.38 118.16 119.67 1lt1 n LYS 25 Ca -0.08 -4.06 -0.43 0.00 -0.51 0.00 0.00 58.31 53.23 1lt1 n LYS 25 Cb 0.58 -2.27 -0.02 0.00 -0.51 0.00 0.00 35.03 32.80 1lt1 n LYS 25 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1lt1 s LEU 26 N -3.67 3.82 0.56 -0.35 1.43 -1.26 -4.91 118.68 114.30 1lt1 s LEU 26 Ca 0.52 1.12 0.30 0.00 -1.03 0.00 0.00 54.13 55.05 1lt1 s LEU 26 Cb 0.43 -3.54 1.46 0.00 0.03 0.00 0.00 46.19 44.57 1lt1 s LEU 26 CO -0.08 -1.15 1.88 -0.65 0.23 0.00 0.00 176.35 176.58 1lt1 h PRO 27 N 9.56 0.00 -0.27 1.29 0.11 -2.00 -0.19 132.00 140.49 1lt1 h PRO 27 Ca -0.26 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 1lt1 h PRO 27 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1lt1 h PRO 27 CO 1.04 0.00 -0.23 -0.24 -0.21 0.00 0.00 178.00 178.36 1lt1 h VAL 28 N 0.00 1.26 -0.33 3.15 3.04 -1.99 -0.26 116.25 121.12 1lt1 h VAL 28 Ca 0.32 -1.24 -0.11 0.00 -1.01 0.00 0.00 66.70 64.67 1lt1 h VAL 28 Cb 1.46 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 32.04 1lt1 h VAL 28 CO -0.00 0.40 -0.24 -0.07 -1.01 0.00 0.00 177.57 176.65 1lt1 h LEU 29 N 0.45 0.66 -0.68 3.16 3.38 -1.43 -1.60 115.31 119.25 1lt1 h LEU 29 Ca 0.07 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1lt1 h LEU 29 Cb 0.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1lt1 h LEU 29 CO 0.05 0.88 -0.27 0.00 0.09 0.00 0.00 178.44 179.19 1lt1 h ALA 30 N 1.17 0.86 -0.16 1.53 0.00 -1.26 -1.03 119.26 120.37 1lt1 h ALA 30 Ca 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1lt1 h ALA 30 Cb 0.71 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1lt1 h ALA 30 CO 0.05 0.63 0.08 -0.22 0.00 0.00 0.00 179.25 179.79 1lt1 h LYS 31 N 0.63 0.23 -0.35 0.00 3.11 -0.89 -1.64 116.57 117.67 1lt1 h LYS 31 Ca 0.08 -0.03 0.03 0.00 -2.81 0.00 0.00 60.65 57.91 1lt1 h LYS 31 Cb 0.78 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.93 1lt1 h LYS 31 CO 0.06 0.27 0.17 0.82 -2.81 0.00 0.00 179.45 177.96 1lt1 h ILE 32 N 0.13 0.97 -0.76 2.00 2.04 -1.11 -2.57 117.51 118.22 1lt1 h ILE 32 Ca 0.05 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1lt1 h ILE 32 Cb 0.12 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1lt1 h ILE 32 CO -0.01 0.06 0.45 0.25 0.00 0.00 0.00 178.15 178.90 1lt1 h LEU 33 N 0.34 0.69 -0.89 1.44 5.85 -1.03 -0.16 115.31 121.55 1lt1 h LEU 33 Ca 0.15 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1lt1 h LEU 33 Cb 0.07 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1lt1 h LEU 33 CO -0.11 0.44 0.57 -0.08 -0.34 0.00 0.00 178.44 178.92 1lt1 h GLU 34 N 0.82 1.06 -0.04 1.25 4.81 -0.90 0.20 114.58 121.78 1lt1 h GLU 34 Ca 0.33 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1lt1 h GLU 34 Cb 0.18 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1lt1 h GLU 34 CO -0.18 0.70 0.01 -0.44 -0.73 0.00 0.00 179.01 178.38 1lt1 h ASP 35 N 1.09 0.05 -1.00 1.04 3.32 -0.91 -2.47 116.42 117.55 1lt1 h ASP 35 Ca 0.36 -0.17 0.16 0.00 0.02 0.00 0.00 57.03 57.40 1lt1 h ASP 35 Cb 0.05 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.50 1lt1 h ASP 35 CO -0.13 0.21 0.62 -0.33 -1.72 0.00 0.00 179.24 177.89 1lt1 h GLU 36 N -0.11 0.83 -0.33 3.56 4.39 -0.51 0.73 114.58 123.14 1lt1 h GLU 36 Ca 0.01 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1lt1 h GLU 36 Cb 0.17 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1lt1 h GLU 36 CO -0.00 0.55 -0.24 0.93 -1.16 0.00 0.00 179.01 179.08 1lt1 h GLU 37 N 0.85 0.65 -0.54 2.33 5.08 -0.71 -1.24 114.58 121.00 1lt1 h GLU 37 Ca 0.53 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1lt1 h GLU 37 Cb 0.72 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1lt1 h GLU 37 CO -0.31 0.83 0.03 0.87 -1.00 0.00 0.00 179.01 179.43 1lt1 h LYS 38 N 0.57 0.94 -0.64 2.33 1.57 -0.70 -2.75 116.57 117.89 1lt1 h LYS 38 Ca 0.08 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1lt1 h LYS 38 Cb 0.72 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 1lt1 h LYS 38 CO 0.06 0.94 0.39 0.45 -0.57 0.00 0.00 179.45 180.71 1lt1 h HIS 39 N 0.82 0.72 -0.55 -1.35 3.86 -0.38 -0.69 115.15 117.59 1lt1 h HIS 39 Ca 0.16 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1lt1 h HIS 39 Cb 0.50 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1lt1 h HIS 39 CO 0.04 0.40 0.02 0.82 0.86 0.00 0.00 177.93 180.06 1lt1 h ILE 40 N 0.75 1.25 -0.47 2.45 2.04 -1.25 0.32 117.51 122.60 1lt1 h ILE 40 Ca 0.26 -1.06 -0.11 0.00 1.00 0.00 0.00 64.86 64.95 1lt1 h ILE 40 Cb 0.05 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1lt1 h ILE 40 CO -0.12 0.38 -0.16 -0.08 0.00 0.00 0.00 178.15 178.17 1lt1 h GLU 41 N 0.86 0.90 -0.37 2.37 4.81 -1.13 0.28 114.58 122.30 1lt1 h GLU 41 Ca 0.16 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 1lt1 h GLU 41 Cb 0.48 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1lt1 h GLU 41 CO 0.02 0.99 -0.09 -1.49 -0.73 0.00 0.00 179.01 177.71 1lt1 h TRP 42 N 0.79 0.80 -0.76 0.92 6.55 -0.81 -1.00 115.95 122.45 1lt1 h TRP 42 Ca 0.12 -0.17 -0.04 0.00 0.95 0.00 0.00 58.89 59.75 1lt1 h TRP 42 Cb 0.70 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.77 1lt1 h TRP 42 CO 0.04 0.86 0.33 -0.07 -1.05 0.00 0.00 178.44 178.55 1lt1 h LEU 43 N 0.50 1.00 -0.93 -4.49 3.38 -0.72 -1.00 115.31 113.06 1lt1 h LEU 43 Ca 0.09 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1lt1 h LEU 43 Cb 0.60 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1lt1 h LEU 43 CO 0.04 0.87 0.61 -0.33 0.09 0.00 0.00 178.44 179.71 1lt1 h GLU 44 N 1.08 1.16 0.05 1.13 5.08 -0.28 0.13 114.58 122.94 1lt1 h GLU 44 Ca 0.26 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1lt1 h GLU 44 Cb 0.16 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1lt1 h GLU 44 CO -0.03 0.77 -0.02 1.15 -1.00 0.00 0.00 179.01 179.88 1lt1 h THR 45 N 1.19 1.04 -0.99 1.13 2.02 -0.43 -2.51 112.91 114.36 1lt1 h THR 45 Ca 0.36 -0.30 0.12 0.00 0.77 0.00 0.00 66.41 67.35 1lt1 h THR 45 Cb -0.04 1.25 -0.08 0.00 -1.74 0.00 0.00 68.15 67.53 1lt1 h THR 45 CO -0.11 0.08 0.62 0.40 0.37 0.00 0.00 175.52 176.88 1lt1 h ILE 46 N -0.20 0.92 -0.16 3.11 2.04 -0.88 -2.09 117.51 120.24 1lt1 h ILE 46 Ca -0.01 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1lt1 h ILE 46 Cb 0.18 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1lt1 h ILE 46 CO 0.01 0.18 0.00 0.18 0.00 0.00 0.00 178.15 178.52 1lt1 n LEU 47 N -4.63 1.00 0.00 1.44 4.77 0.01 -5.12 117.00 114.48 1lt1 n LEU 47 Ca 0.19 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1lt1 n LEU 47 Cb 0.35 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1lt1 n LEU 47 CO 0.27 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.18