#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 0.45 -0.27 1.24 -0.00 -2.05 0.10 116.97 116.43 1lt1 h TYR 2 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 58.73 58.57 1lt1 h TYR 2 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 36.58 1lt1 h TYR 2 CO 0.00 0.25 -0.51 -0.07 -0.00 0.00 0.00 178.16 177.83 1lt1 h LEU 3 N 0.46 0.93 -1.05 0.10 3.38 -2.00 -2.09 115.31 115.03 1lt1 h LEU 3 Ca 0.20 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1lt1 h LEU 3 Cb 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1lt1 h LEU 3 CO -0.05 1.29 0.64 0.03 0.09 0.00 0.00 178.44 180.43 1lt1 h ARG 4 N 0.60 1.21 -0.64 1.13 3.08 -1.77 0.81 114.38 118.80 1lt1 h ARG 4 Ca 0.01 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1lt1 h ARG 4 Cb 1.12 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1lt1 h ARG 4 CO 0.11 0.80 0.11 1.49 -1.07 0.00 0.00 179.97 181.41 1lt1 h GLU 5 N 1.24 1.05 -0.45 0.04 4.57 -0.83 0.86 114.58 121.06 1lt1 h GLU 5 Ca 0.38 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1lt1 h GLU 5 Cb -0.02 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1lt1 h GLU 5 CO -0.11 0.97 0.15 -0.07 -1.18 0.00 0.00 179.01 178.77 1lt1 h LEU 6 N 0.96 0.65 -0.47 1.64 3.38 -1.10 -1.10 115.31 119.28 1lt1 h LEU 6 Ca 0.19 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1lt1 h LEU 6 Cb 0.42 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1lt1 h LEU 6 CO 0.01 0.67 0.30 0.25 0.09 0.00 0.00 178.44 179.77 1lt1 h LEU 7 N 0.60 0.52 -0.67 1.67 5.85 -0.52 -1.32 115.31 121.43 1lt1 h LEU 7 Ca 0.15 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1lt1 h LEU 7 Cb 0.25 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1lt1 h LEU 7 CO -0.01 0.37 0.43 0.50 -0.34 0.00 0.00 178.44 179.40 1lt1 h LYS 8 N 0.62 0.84 -0.62 1.25 3.64 -0.51 0.26 116.57 122.04 1lt1 h LYS 8 Ca 0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1lt1 h LYS 8 Cb -0.05 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 1lt1 h LYS 8 CO -0.05 0.55 0.32 -0.07 -2.27 0.00 0.00 179.45 177.93 1lt1 h LEU 9 N 0.86 0.76 -0.35 5.20 3.38 -0.94 -1.10 115.31 123.13 1lt1 h LEU 9 Ca 0.26 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1lt1 h LEU 9 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1lt1 h LEU 9 CO -0.08 0.63 -0.18 -0.33 0.09 0.00 0.00 178.44 178.56 1lt1 h GLU 10 N 0.86 0.74 -0.69 1.13 4.39 -0.35 0.26 114.58 120.92 1lt1 h GLU 10 Ca 0.22 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1lt1 h GLU 10 Cb 0.05 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1lt1 h GLU 10 CO -0.03 0.94 0.29 -0.07 -1.16 0.00 0.00 179.01 178.98 1lt1 h LEU 11 N 0.53 0.91 -0.48 1.33 3.38 -0.69 -0.65 115.31 119.64 1lt1 h LEU 11 Ca 0.08 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1lt1 h LEU 11 Cb 0.73 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1lt1 h LEU 11 CO 0.05 0.80 -0.30 1.56 0.09 0.00 0.00 178.44 180.64 1lt1 h GLN 12 N 0.98 0.93 -0.17 1.13 4.20 -0.99 -3.07 115.11 118.12 1lt1 h GLN 12 Ca 0.23 -0.44 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1lt1 h GLN 12 Cb 0.16 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1lt1 h GLN 12 CO -0.02 1.10 0.03 0.78 -0.67 0.00 0.00 178.83 180.05 1lt1 h GLY 13 N 0.85 0.18 1.78 3.46 0.00 -0.44 -2.81 103.07 106.09 1lt1 h GLY 13 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1lt1 h GLY 13 CO 0.08 0.00 -0.14 0.16 0.00 0.00 0.00 176.54 176.64 1lt1 h ILE 14 N 0.10 1.19 -0.58 2.60 3.07 -1.08 -1.18 117.51 121.64 1lt1 h ILE 14 Ca 0.07 -0.86 -0.04 0.00 1.55 0.00 0.00 64.86 65.59 1lt1 h ILE 14 Cb 0.07 1.22 -0.03 0.00 -0.27 0.00 0.00 36.82 37.81 1lt1 h ILE 14 CO -0.10 0.27 0.20 0.50 -1.05 0.00 0.00 178.15 177.97 1lt1 h LYS 15 N 0.26 0.85 -0.37 0.16 3.64 -1.41 0.50 116.57 120.20 1lt1 h LYS 15 Ca 0.05 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1lt1 h LYS 15 Cb 0.41 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1lt1 h LYS 15 CO 0.02 0.72 -0.33 1.96 -2.27 0.00 0.00 179.45 179.56 1lt1 h GLN 16 N 0.84 0.84 -0.52 1.90 1.08 -1.06 -1.77 115.11 116.41 1lt1 h GLN 16 Ca 0.19 -0.40 -0.07 0.00 -1.45 0.00 0.00 58.65 56.92 1lt1 h GLN 16 Cb 0.21 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1lt1 h GLN 16 CO -0.01 1.04 0.06 1.88 -0.95 0.00 0.00 178.83 180.85 1lt1 h TYR 17 N 0.70 0.94 -0.57 2.96 -1.99 -0.92 -2.48 116.97 115.61 1lt1 h TYR 17 Ca 0.07 -0.14 -0.09 0.00 2.00 0.00 0.00 58.73 60.57 1lt1 h TYR 17 Cb 0.89 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.34 1lt1 h TYR 17 CO 0.05 0.85 -0.01 0.00 -0.00 0.00 0.00 178.16 179.06 1lt1 h ARG 18 N 0.75 0.99 -0.72 4.88 3.08 -0.85 -1.49 114.38 121.02 1lt1 h ARG 18 Ca 0.15 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1lt1 h ARG 18 Cb 0.44 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1lt1 h ARG 18 CO 0.01 0.98 0.40 1.49 -1.07 0.00 0.00 179.97 181.78 1lt1 h GLU 19 N 0.91 1.01 -0.62 0.04 4.81 -1.16 -1.88 114.58 117.69 1lt1 h GLU 19 Ca 0.16 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1lt1 h GLU 19 Cb 0.54 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1lt1 h GLU 19 CO 0.03 0.75 0.23 0.00 -0.73 0.00 0.00 179.01 179.29 1lt1 h ALA 20 N 1.20 0.80 0.00 2.92 0.00 -1.08 -2.51 119.26 120.60 1lt1 h ALA 20 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lt1 h ALA 20 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1lt1 h ALA 20 CO -0.04 0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.92 1lt1 n LEU 21 N -4.43 0.61 0.26 0.00 4.77 -0.59 -0.36 117.00 117.25 1lt1 n LEU 21 Ca 0.04 0.66 0.11 0.00 -0.03 0.00 0.00 56.01 56.79 1lt1 n LEU 21 Cb 0.18 -0.59 0.68 0.00 -2.33 0.00 0.00 43.42 41.36 1lt1 n LEU 21 CO 0.39 -0.57 0.96 -0.33 -1.33 0.00 0.00 177.39 176.51 1lt1 h GLU 22 N 0.00 0.00 0.00 3.23 5.08 -0.87 -3.37 114.58 118.65 1lt1 h GLU 22 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1lt1 h GLU 22 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1lt1 h GLU 22 CO 0.00 0.14 -1.30 0.66 -1.00 0.00 0.00 179.01 177.51 1lt1 n TYR 23 N -3.72 0.00 -5.21 4.33 4.02 0.52 -5.02 117.16 112.07 1lt1 n TYR 23 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 1lt1 n TYR 23 Cb 0.25 -0.20 -0.17 0.00 -0.02 0.00 0.00 39.34 39.20 1lt1 n TYR 23 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1lt1 s VAL 24 N -2.10 2.00 -1.11 -0.72 -7.23 -0.09 -5.05 120.40 106.09 1lt1 s VAL 24 Ca -0.06 -1.02 -0.07 0.00 -1.81 0.00 0.00 61.98 59.02 1lt1 s VAL 24 Cb 0.02 -1.70 0.29 0.00 0.56 0.00 0.00 36.38 35.54 1lt1 s VAL 24 CO 0.13 0.55 1.35 0.29 -0.31 0.00 0.00 175.10 177.11 1lt1 n LYS 25 N 3.13 4.05 -3.60 4.82 5.02 -1.26 -4.32 118.16 126.00 1lt1 n LYS 25 Ca -0.18 -4.47 -0.40 0.00 -2.02 0.00 0.00 58.31 51.24 1lt1 n LYS 25 Cb 0.52 -2.55 -0.11 0.00 -0.02 0.00 0.00 35.03 32.87 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 -1.98 4.55 0.43 -0.35 1.43 -1.26 -4.98 118.68 116.52 1lt1 s LEU 26 Ca 0.32 -0.79 0.15 0.00 -1.03 0.00 0.00 54.13 52.78 1lt1 s LEU 26 Cb -0.01 -2.04 1.05 0.00 0.03 0.00 0.00 46.19 45.22 1lt1 s LEU 26 CO 0.02 -0.32 1.93 -0.65 0.23 0.00 0.00 176.35 177.57 1lt1 h PRO 27 N 8.43 0.40 -0.63 1.29 0.11 -1.99 -0.97 132.00 138.65 1lt1 h PRO 27 Ca -0.28 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1lt1 h PRO 27 Cb 1.12 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1lt1 h PRO 27 CO 0.65 0.27 0.33 -0.24 -0.21 0.00 0.00 178.00 178.80 1lt1 h VAL 28 N 0.41 1.20 -0.51 3.15 3.04 -1.99 0.32 116.25 121.87 1lt1 h VAL 28 Ca 0.35 -0.51 -0.13 0.00 -1.01 0.00 0.00 66.70 65.40 1lt1 h VAL 28 Cb 0.79 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1lt1 h VAL 28 CO -0.11 0.22 -0.18 -0.07 -1.01 0.00 0.00 177.57 176.42 1lt1 h LEU 29 N 0.88 1.04 -1.09 3.16 3.38 -1.61 -0.77 115.31 120.30 1lt1 h LEU 29 Ca 0.22 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1lt1 h LEU 29 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1lt1 h LEU 29 CO -0.03 1.18 -0.18 0.00 0.09 0.00 0.00 178.44 179.50 1lt1 h ALA 30 N 0.89 1.24 -0.52 1.53 0.00 -1.09 -0.42 119.26 120.89 1lt1 h ALA 30 Ca 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1lt1 h ALA 30 Cb 0.76 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1lt1 h ALA 30 CO 0.06 0.50 0.21 -0.22 0.00 0.00 0.00 179.25 179.80 1lt1 h LYS 31 N 0.40 0.77 -0.50 0.00 1.63 0.06 -1.66 116.57 117.26 1lt1 h LYS 31 Ca 0.07 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1lt1 h LYS 31 Cb 0.55 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1lt1 h LYS 31 CO 0.04 0.67 0.14 0.82 -3.45 0.00 0.00 179.45 177.67 1lt1 h ILE 32 N 0.69 1.23 -0.91 2.00 2.04 -0.94 -2.04 117.51 119.59 1lt1 h ILE 32 Ca 0.17 -0.80 0.10 0.00 1.00 0.00 0.00 64.86 65.34 1lt1 h ILE 32 Cb 0.19 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 1lt1 h ILE 32 CO -0.02 0.29 0.59 0.25 0.00 0.00 0.00 178.15 179.26 1lt1 h LEU 33 N 0.68 0.82 -0.82 1.44 6.46 -0.83 -0.58 115.31 122.47 1lt1 h LEU 33 Ca 0.16 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.91 1lt1 h LEU 33 Cb 0.30 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.05 1lt1 h LEU 33 CO -0.00 0.47 0.36 -0.08 -0.62 0.00 0.00 178.44 178.57 1lt1 h GLU 34 N 0.89 1.20 -0.29 1.25 4.81 -0.58 -0.59 114.58 121.28 1lt1 h GLU 34 Ca 0.43 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1lt1 h GLU 34 Cb 0.44 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1lt1 h GLU 34 CO -0.19 0.95 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.51 1lt1 h ASP 35 N 1.18 0.57 -0.84 1.04 3.32 -0.95 -2.86 116.42 117.87 1lt1 h ASP 35 Ca 0.28 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 57.02 1lt1 h ASP 35 Cb 0.17 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1lt1 h ASP 35 CO -0.03 0.81 0.55 -0.33 -1.72 0.00 0.00 179.24 178.52 1lt1 h GLU 36 N 0.32 0.88 -0.49 3.56 4.39 -0.59 0.67 114.58 123.32 1lt1 h GLU 36 Ca 0.07 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1lt1 h GLU 36 Cb 0.57 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1lt1 h GLU 36 CO 0.03 0.58 0.25 0.93 -1.16 0.00 0.00 179.01 179.65 1lt1 h GLU 37 N 0.90 0.67 -0.02 2.33 5.08 -0.97 0.23 114.58 122.81 1lt1 h GLU 37 Ca 0.37 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 58.41 1lt1 h GLU 37 Cb 0.26 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1lt1 h GLU 37 CO -0.14 0.51 -0.98 -0.22 -1.00 0.00 0.00 179.01 177.19 1lt1 h LYS 38 N 0.68 0.60 -0.40 2.33 3.64 -0.83 -1.63 116.57 120.96 1lt1 h LYS 38 Ca 0.17 -0.62 0.05 0.00 -1.27 0.00 0.00 60.65 58.98 1lt1 h LYS 38 Cb 0.04 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1lt1 h LYS 38 CO -0.03 1.23 0.15 0.45 -2.27 0.00 0.00 179.45 178.98 1lt1 h HIS 39 N 0.34 0.27 -0.54 1.91 3.86 -0.34 -0.13 115.15 120.52 1lt1 h HIS 39 Ca -0.10 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1lt1 h HIS 39 Cb 1.62 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 30.00 1lt1 h HIS 39 CO 0.08 0.11 0.31 0.82 0.86 0.00 0.00 177.93 180.11 1lt1 h ILE 40 N 0.32 1.18 -0.65 2.45 2.04 -0.94 -1.23 117.51 120.67 1lt1 h ILE 40 Ca 0.18 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1lt1 h ILE 40 Cb 0.15 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1lt1 h ILE 40 CO -0.18 0.19 0.35 -0.08 0.00 0.00 0.00 178.15 178.43 1lt1 h GLU 41 N 0.73 0.91 -0.40 2.37 4.81 -0.60 -1.09 114.58 121.31 1lt1 h GLU 41 Ca 0.19 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1lt1 h GLU 41 Cb 0.03 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1lt1 h GLU 41 CO -0.03 0.70 0.20 -1.49 -0.73 0.00 0.00 179.01 177.66 1lt1 h TRP 42 N 0.89 0.56 -0.62 0.92 6.55 -0.78 -1.58 115.95 121.89 1lt1 h TRP 42 Ca 0.23 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.05 1lt1 h TRP 42 Cb 0.05 -0.18 -0.03 0.00 -0.86 0.00 0.00 29.16 28.15 1lt1 h TRP 42 CO -0.01 0.45 0.40 -0.07 -1.05 0.00 0.00 178.44 178.16 1lt1 h LEU 43 N 0.51 0.73 -0.99 -4.49 3.38 -1.09 -1.04 115.31 112.32 1lt1 h LEU 43 Ca 0.14 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1lt1 h LEU 43 Cb 0.09 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1lt1 h LEU 43 CO -0.02 0.55 0.65 -0.33 0.09 0.00 0.00 178.44 179.37 1lt1 h GLU 44 N 0.84 1.31 -0.34 1.13 5.08 -0.98 -1.58 114.58 120.05 1lt1 h GLU 44 Ca 0.23 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1lt1 h GLU 44 Cb -0.07 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 28.87 1lt1 h GLU 44 CO -0.05 0.88 0.21 1.15 -1.00 0.00 0.00 179.01 180.20 1lt1 h THR 45 N 1.35 1.06 0.00 1.13 2.02 -0.80 -2.29 112.91 115.37 1lt1 h THR 45 Ca 0.36 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1lt1 h THR 45 Cb -0.14 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1lt1 h THR 45 CO -0.08 0.08 0.00 0.16 0.37 0.00 0.00 175.52 176.05 1lt1 h ILE 46 N 0.42 0.00 0.00 3.11 3.07 -0.83 -1.82 117.51 121.47 1lt1 h ILE 46 Ca 0.13 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1lt1 h ILE 46 Cb -0.02 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 37.97 1lt1 h ILE 46 CO -0.05 0.00 -0.18 0.18 -1.05 0.00 0.00 178.15 177.05 1lt1 n LEU 47 N -2.32 0.61 0.00 0.16 4.77 -0.63 -5.10 117.00 114.49 1lt1 n LEU 47 Ca 0.05 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1lt1 n LEU 47 Cb 0.41 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1lt1 n LEU 47 CO 0.29 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.87