#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ij1 h MET 2 N 0.00 0.56 -0.10 5.56 4.05 -2.05 -1.56 114.93 121.38 1ij1 h MET 2 Ca 0.00 -0.17 -0.19 0.00 -0.28 0.00 0.00 59.70 59.06 1ij1 h MET 2 Cb 0.00 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1ij1 h MET 2 CO 0.00 0.68 -0.71 -0.22 0.23 0.00 0.00 176.91 176.89 1ij1 h LYS 3 N 0.51 0.47 -0.28 0.39 1.63 -2.05 -1.47 116.57 115.77 1ij1 h LYS 3 Ca 0.09 -0.37 -0.12 0.00 -0.85 0.00 0.00 60.65 59.39 1ij1 h LYS 3 Cb 0.53 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1ij1 h LYS 3 CO 0.03 1.00 -0.34 1.96 -3.45 0.00 0.00 179.45 178.65 1ij1 h GLN 4 N 0.33 0.61 -0.22 1.90 1.08 -1.95 -1.61 115.11 115.26 1ij1 h GLN 4 Ca -0.03 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 56.84 1ij1 h GLN 4 Cb 1.29 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 1ij1 h GLN 4 CO 0.13 0.87 -0.06 1.25 -0.95 0.00 0.00 178.83 180.06 1ij1 h LEU 5 N 0.51 0.43 -1.07 1.46 5.85 -1.17 -1.74 115.31 119.58 1ij1 h LEU 5 Ca 0.06 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1ij1 h LEU 5 Cb 0.83 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1ij1 h LEU 5 CO 0.07 0.70 0.30 -0.33 -0.34 0.00 0.00 178.44 178.84 1ij1 h GLU 6 N 0.15 0.95 -0.25 1.25 5.08 -1.13 0.12 114.58 120.74 1ij1 h GLU 6 Ca 0.05 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1ij1 h GLU 6 Cb 0.52 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ij1 h GLU 6 CO 0.02 0.75 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.26 1ij1 h ASP 7 N 0.94 0.52 -0.45 1.42 3.32 -1.23 -1.11 116.42 119.83 1ij1 h ASP 7 Ca 0.23 -0.39 0.06 0.00 0.02 0.00 0.00 57.03 56.95 1ij1 h ASP 7 Cb 0.13 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1ij1 h ASP 7 CO -0.03 0.79 0.16 0.50 -1.72 0.00 0.00 179.24 178.94 1ij1 h LYS 8 N 0.24 0.32 -0.45 3.56 1.63 -0.90 0.60 116.57 121.57 1ij1 h LYS 8 Ca 0.06 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 1ij1 h LYS 8 Cb 0.57 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1ij1 h LYS 8 CO 0.03 0.21 0.12 0.28 -3.45 0.00 0.00 179.45 176.65 1ij1 h VAL 9 N 0.33 1.19 -0.04 2.00 2.07 -0.60 -0.53 116.25 120.68 1ij1 h VAL 9 Ca 0.21 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1ij1 h VAL 9 Cb 0.20 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1ij1 h VAL 9 CO -0.21 0.25 -0.00 -0.33 0.02 0.00 0.00 177.57 177.30 1ij1 h GLU 10 N 0.66 0.07 -0.73 1.57 4.39 -0.28 -1.20 114.58 119.06 1ij1 h GLU 10 Ca 0.15 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.89 1ij1 h GLU 10 Cb 0.23 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 1ij1 h GLU 10 CO -0.01 0.36 0.48 0.93 -1.16 0.00 0.00 179.01 179.62 1ij1 h GLU 11 N -0.24 0.73 -0.36 2.33 5.08 -0.59 -0.36 114.58 121.17 1ij1 h GLU 11 Ca 0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1ij1 h GLU 11 Cb 0.33 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1ij1 h GLU 11 CO 0.00 0.48 -0.16 1.15 -1.00 0.00 0.00 179.01 179.48 1ij1 h THR 12 N 0.75 1.28 -0.86 1.13 2.02 -0.93 -2.06 112.91 114.25 1ij1 h THR 12 Ca 0.31 -1.28 0.05 0.00 0.77 0.00 0.00 66.41 66.26 1ij1 h THR 12 Cb 0.26 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 1ij1 h THR 12 CO -0.10 0.42 0.54 -0.07 0.37 0.00 0.00 175.52 176.68 1ij1 h LEU 13 N 0.54 0.87 -1.03 2.58 3.38 0.09 -0.09 115.31 121.65 1ij1 h LEU 13 Ca 0.08 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ij1 h LEU 13 Cb 0.70 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1ij1 h LEU 13 CO 0.05 0.57 0.18 0.28 0.09 0.00 0.00 178.44 179.62 1ij1 h SER 14 N 1.01 0.81 -0.34 -0.43 0.02 -0.85 0.40 113.55 114.18 1ij1 h SER 14 Ca 0.36 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 1ij1 h SER 14 Cb 0.10 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1ij1 h SER 14 CO -0.15 0.77 -0.32 0.11 -1.14 0.00 0.00 176.83 176.10 1ij1 h LYS 15 N 0.85 0.82 -0.39 3.45 1.57 -0.61 -2.32 116.57 119.94 1ij1 h LYS 15 Ca 0.19 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1ij1 h LYS 15 Cb 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1ij1 h LYS 15 CO -0.01 1.06 0.19 0.28 -0.57 0.00 0.00 179.45 180.40 1ij1 h VAL 16 N 0.60 1.17 -0.95 0.50 2.07 -0.76 -1.01 116.25 117.87 1ij1 h VAL 16 Ca 0.06 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.17 1ij1 h VAL 16 Cb 0.90 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 1ij1 h VAL 16 CO 0.08 0.18 0.61 0.22 0.02 0.00 0.00 177.57 178.68 1ij1 h TYR 17 N 0.50 1.12 -0.47 1.57 3.20 -0.83 -0.40 116.97 121.66 1ij1 h TYR 17 Ca 0.14 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 1ij1 h TYR 17 Cb 0.11 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1ij1 h TYR 17 CO -0.01 0.56 -0.18 1.25 -1.64 0.00 0.00 178.16 178.14 1ij1 h HIS 18 N 1.08 1.04 -0.98 -3.82 2.76 -1.07 -2.70 115.15 111.47 1ij1 h HIS 18 Ca 0.42 -0.23 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 1ij1 h HIS 18 Cb 0.20 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 1ij1 h HIS 18 CO -0.01 1.01 0.65 -0.07 -1.30 0.00 0.00 177.93 178.21 1ij1 h LEU 19 N 0.80 1.11 -0.50 0.26 3.38 -0.08 -1.35 115.31 118.93 1ij1 h LEU 19 Ca 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ij1 h LEU 19 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1ij1 h LEU 19 CO 0.06 0.79 0.24 -0.33 0.09 0.00 0.00 178.44 179.29 1ij1 h GLU 20 N 1.30 0.72 -0.83 1.13 5.08 -0.88 -0.37 114.58 120.73 1ij1 h GLU 20 Ca 0.37 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1ij1 h GLU 20 Cb -0.11 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 1ij1 h GLU 20 CO -0.09 0.60 0.41 -0.91 -1.00 0.00 0.00 179.01 178.02 1ij1 h ASN 21 N 0.67 1.08 -0.44 1.42 2.35 -1.14 0.14 115.58 119.65 1ij1 h ASN 21 Ca 0.17 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1ij1 h ASN 21 Cb 0.11 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1ij1 h ASN 21 CO -0.02 0.90 0.08 -0.33 -1.65 0.00 0.00 177.43 176.41 1ij1 h GLU 22 N 1.18 0.72 -0.58 0.81 4.39 -0.72 -1.36 114.58 119.03 1ij1 h GLU 22 Ca 0.29 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 1ij1 h GLU 22 Cb 0.10 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1ij1 h GLU 22 CO -0.04 0.74 -0.04 0.28 -1.16 0.00 0.00 179.01 178.79 1ij1 h VAL 23 N 0.58 1.27 -0.75 3.13 2.07 -0.82 -0.74 116.25 120.98 1ij1 h VAL 23 Ca 0.13 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1ij1 h VAL 23 Cb 0.36 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1ij1 h VAL 23 CO 0.01 0.43 0.38 0.00 0.02 0.00 0.00 177.57 178.41 1ij1 h ALA 24 N 0.96 0.97 -0.45 1.67 0.00 -0.51 0.92 119.26 122.82 1ij1 h ALA 24 Ca 0.16 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1ij1 h ALA 24 Cb 0.61 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ij1 h ALA 24 CO 0.04 0.51 -0.16 -0.09 0.00 0.00 0.00 179.25 179.55 1ij1 h ARG 25 N 1.05 0.86 -0.39 0.00 2.43 -1.00 -2.45 114.38 114.87 1ij1 h ARG 25 Ca 0.26 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1ij1 h ARG 25 Cb 0.09 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1ij1 h ARG 25 CO -0.04 0.96 0.13 -0.07 -1.51 0.00 0.00 179.97 179.44 1ij1 h LEU 26 N 0.76 0.57 -1.88 3.80 3.38 -0.42 -1.02 115.31 120.49 1ij1 h LEU 26 Ca 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ij1 h LEU 26 Cb 0.68 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1ij1 h LEU 26 CO 0.05 0.61 0.07 0.11 0.09 0.00 0.00 178.44 179.37 1ij1 h LYS 27 N 0.49 0.15 -0.16 1.13 1.57 -0.70 0.18 116.57 119.23 1ij1 h LYS 27 Ca 0.13 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 1ij1 h LYS 27 Cb 0.24 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1ij1 h LYS 27 CO -0.01 0.10 -0.54 -0.22 -0.57 0.00 0.00 179.45 178.21 1ij1 h LYS 28 N 0.15 0.66 -0.28 3.15 1.63 -0.95 -0.12 116.57 120.80 1ij1 h LYS 28 Ca 0.04 -0.49 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 1ij1 h LYS 28 Cb -0.01 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1ij1 h LYS 28 CO -0.01 1.11 0.03 -0.07 -3.45 0.00 0.00 179.45 177.06 1ij1 h LEU 29 N 0.34 0.46 0.00 5.20 4.07 -0.07 -3.29 115.31 122.02 1ij1 h LEU 29 Ca -0.02 -0.28 -0.20 0.00 0.08 0.00 0.00 57.88 57.46 1ij1 h LEU 29 Cb 1.17 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 1ij1 h LEU 29 CO 0.12 0.62 -1.36 -0.37 -1.08 0.00 0.00 178.44 176.37 1ij1 h VAL 30 N 0.28 0.77 0.00 1.22 -1.51 -1.10 -3.51 116.25 112.40 1ij1 h VAL 30 Ca 0.08 -2.39 0.00 0.00 -1.23 0.00 0.00 66.70 63.17 1ij1 h VAL 30 Cb 0.37 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1ij1 h VAL 30 CO 0.01 0.44 0.00 0.61 -1.23 0.00 0.00 177.57 177.40