#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uo0 h MET 2 N 0.00 0.00 -0.11 5.56 2.86 -2.04 -0.11 114.93 121.09 1uo0 h MET 2 Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1uo0 h MET 2 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1uo0 h MET 2 CO 0.00 0.00 -0.31 -0.22 1.06 0.00 0.00 176.91 177.44 1uo0 h LYS 3 N 0.00 0.40 -0.96 1.72 1.63 -2.05 -1.73 116.57 115.58 1uo0 h LYS 3 Ca 0.07 -0.29 0.12 0.00 -0.85 0.00 0.00 60.65 59.70 1uo0 h LYS 3 Cb 0.29 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.89 1uo0 h LYS 3 CO -0.00 0.90 0.61 1.96 -3.45 0.00 0.00 179.45 179.47 1uo0 h GLN 4 N -0.03 0.87 -0.31 1.90 4.20 -1.57 -1.53 115.11 118.64 1uo0 h GLN 4 Ca -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1uo0 h GLN 4 Cb 0.93 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1uo0 h GLN 4 CO 0.07 0.57 0.21 0.82 -0.67 0.00 0.00 178.83 179.83 1uo0 h ILE 5 N 0.90 1.08 0.00 2.54 2.04 -1.10 -2.10 117.51 120.87 1uo0 h ILE 5 Ca 0.47 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 66.14 1uo0 h ILE 5 Cb 0.54 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1uo0 h ILE 5 CO -0.23 0.08 -0.22 -0.08 0.00 0.00 0.00 178.15 177.69 1uo0 h GLU 6 N 0.42 0.00 0.06 2.37 4.57 -1.00 -1.28 114.58 119.72 1uo0 h GLU 6 Ca 0.12 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 58.02 1uo0 h GLU 6 Cb -0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1uo0 h GLU 6 CO -0.03 0.22 -1.41 -0.44 -1.18 0.00 0.00 179.01 176.18 1uo0 h ASP 7 N 0.00 0.19 0.82 1.04 3.32 -1.02 -3.05 116.42 117.72 1uo0 h ASP 7 Ca -0.00 -0.27 -0.20 0.00 0.02 0.00 0.00 57.03 56.58 1uo0 h ASP 7 Cb 0.51 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1uo0 h ASP 7 CO 0.03 1.22 -0.93 0.50 -1.72 0.00 0.00 179.24 178.34 1uo0 h LYS 8 N 0.03 0.06 -0.62 3.56 1.63 -0.83 -2.02 116.57 118.39 1uo0 h LYS 8 Ca -0.18 -0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 59.47 1uo0 h LYS 8 Cb 1.94 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 33.57 1uo0 h LYS 8 CO 0.14 0.94 0.11 -0.07 -3.45 0.00 0.00 179.45 177.12 1uo0 h LEU 9 N 0.03 0.94 -0.82 5.20 3.38 -1.25 -1.83 115.31 120.95 1uo0 h LEU 9 Ca -0.03 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1uo0 h LEU 9 Cb 1.62 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1uo0 h LEU 9 CO 0.13 0.93 -0.49 -0.33 0.09 0.00 0.00 178.44 178.77 1uo0 h GLU 10 N 0.93 0.24 -0.51 1.13 4.39 -1.55 -1.83 114.58 117.39 1uo0 h GLU 10 Ca 0.19 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1uo0 h GLU 10 Cb 0.38 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1uo0 h GLU 10 CO 0.01 0.68 0.03 1.49 -1.16 0.00 0.00 179.01 180.06 1uo0 h GLU 11 N 0.20 0.87 -0.92 2.33 4.81 -1.16 -0.29 114.58 120.42 1uo0 h GLU 11 Ca 0.01 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1uo0 h GLU 11 Cb 0.93 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.17 1uo0 h GLU 11 CO 0.08 0.89 0.60 0.82 -0.73 0.00 0.00 179.01 180.67 1uo0 h ILE 12 N 0.74 1.12 -0.17 2.32 2.04 -1.19 -1.33 117.51 121.04 1uo0 h ILE 12 Ca 0.15 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 1uo0 h ILE 12 Cb 0.47 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1uo0 h ILE 12 CO 0.02 0.20 -0.18 -0.07 0.00 0.00 0.00 178.15 178.12 1uo0 h LEU 13 N 1.11 0.44 -1.41 1.44 3.38 -1.16 -1.10 115.31 118.01 1uo0 h LEU 13 Ca 0.38 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1uo0 h LEU 13 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1uo0 h LEU 13 CO -0.13 0.84 -0.10 0.28 0.09 0.00 0.00 178.44 179.42 1uo0 h SER 14 N 0.06 0.25 -0.36 -0.43 0.02 -0.84 -1.26 113.55 110.98 1uo0 h SER 14 Ca 0.02 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1uo0 h SER 14 Cb 0.72 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1uo0 h SER 14 CO 0.04 0.38 -0.22 0.50 -1.14 0.00 0.00 176.83 176.39 1uo0 h LYS 15 N 0.25 0.85 -0.19 3.45 3.64 -1.04 -1.61 116.57 121.93 1uo0 h LYS 15 Ca 0.05 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1uo0 h LYS 15 Cb 0.34 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1uo0 h LYS 15 CO 0.02 0.99 0.07 -0.07 -2.27 0.00 0.00 179.45 178.19 1uo0 h LEU 16 N 0.74 0.10 -0.46 5.20 3.38 -0.68 -0.36 115.31 123.22 1uo0 h LEU 16 Ca 0.10 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1uo0 h LEU 16 Cb 0.76 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1uo0 h LEU 16 CO 0.06 0.08 0.11 1.88 0.09 0.00 0.00 178.44 180.67 1uo0 h TYR 17 N 0.17 0.19 -0.87 1.13 0.05 -1.06 0.95 116.97 117.53 1uo0 h TYR 17 Ca 0.08 0.03 0.15 0.00 0.05 0.00 0.00 58.73 59.03 1uo0 h TYR 17 Cb 0.04 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 37.67 1uo0 h TYR 17 CO -0.11 0.03 0.47 1.25 -1.05 0.00 0.00 178.16 178.75 1uo0 h HIS 18 N 0.26 0.82 -0.19 4.88 2.76 -1.08 -1.66 115.15 120.94 1uo0 h HIS 18 Ca 0.22 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.35 1uo0 h HIS 18 Cb 0.27 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 1uo0 h HIS 18 CO -0.20 0.21 -0.17 0.82 -1.30 0.00 0.00 177.93 177.29 1uo0 h ILE 19 N 0.67 1.33 -0.36 6.26 2.04 -0.61 -1.12 117.51 125.72 1uo0 h ILE 19 Ca 0.47 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 65.02 1uo0 h ILE 19 Cb 0.65 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1uo0 h ILE 19 CO -0.35 0.40 0.24 -0.33 0.00 0.00 0.00 178.15 178.11 1uo0 h GLU 20 N 0.11 0.43 0.07 2.37 5.08 -0.54 -1.16 114.58 120.94 1uo0 h GLU 20 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uo0 h GLU 20 Cb 0.71 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1uo0 h GLU 20 CO 0.04 0.28 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.39 1uo0 h ASN 21 N 0.44 -0.08 -0.91 1.42 -0.26 -1.07 -2.09 115.58 113.02 1uo0 h ASN 21 Ca 0.14 -0.27 0.23 0.00 -0.56 0.00 0.00 56.30 55.84 1uo0 h ASN 21 Cb 0.02 0.02 -0.13 0.00 -1.06 0.00 0.00 38.32 37.17 1uo0 h ASN 21 CO -0.03 0.23 0.41 -0.33 -1.06 0.00 0.00 177.43 176.65 1uo0 h GLU 22 N -0.40 0.38 0.00 0.81 5.08 -1.07 -0.72 114.58 118.66 1uo0 h GLU 22 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1uo0 h GLU 22 Cb 0.35 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1uo0 h GLU 22 CO 0.02 0.25 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.07 1uo0 h LEU 23 N 0.40 0.00 0.04 1.33 4.07 -1.13 -2.49 115.31 117.53 1uo0 h LEU 23 Ca 0.58 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.40 1uo0 h LEU 23 Cb 1.13 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.89 1uo0 h LEU 23 CO -0.54 0.14 -0.59 0.00 -1.08 0.00 0.00 178.44 176.37 1uo0 h ALA 24 N 1.86 0.01 -0.19 1.53 0.00 -0.47 0.12 119.26 122.12 1uo0 h ALA 24 Ca -0.00 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.34 1uo0 h ALA 24 Cb 0.89 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1uo0 h ALA 24 CO 0.02 0.30 0.03 0.00 0.00 0.00 0.00 179.25 179.60 1uo0 h ARG 25 N -0.29 0.10 -0.71 0.00 3.08 -1.12 -2.76 114.38 112.68 1uo0 h ARG 25 Ca -0.09 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.05 1uo0 h ARG 25 Cb 1.36 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.31 1uo0 h ARG 25 CO 0.11 0.07 0.34 0.00 -1.07 0.00 0.00 179.97 179.43 1uo0 h ALA 26 N 1.14 0.98 0.00 0.04 0.00 -1.39 0.23 119.26 120.25 1uo0 h ALA 26 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1uo0 h ALA 26 Cb 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uo0 h ALA 26 CO -0.12 -0.07 -0.03 1.57 0.00 0.00 0.00 179.25 180.60 1uo0 h LYS 27 N 0.58 0.00 0.00 0.00 2.10 -0.49 -0.84 116.57 117.92 1uo0 h LYS 27 Ca 0.35 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.84 1uo0 h LYS 27 Cb 0.39 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.69 1uo0 h LYS 27 CO -0.28 0.03 -1.77 0.36 -2.00 0.00 0.00 179.45 175.79 1uo0 n LYS 28 N -4.12 0.65 0.12 0.07 2.85 -1.01 -2.82 118.16 113.90 1uo0 n LYS 28 Ca -0.03 0.05 -0.14 0.00 -1.05 0.00 0.00 58.31 57.15 1uo0 n LYS 28 Cb 0.12 -1.67 -0.08 0.00 -0.65 0.00 0.00 35.03 32.76 1uo0 n LYS 28 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1uo0 h LEU 29 N 0.00 -0.21 -2.25 -5.58 3.38 0.18 -1.70 115.31 109.12 1uo0 h LEU 29 Ca -0.20 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1uo0 h LEU 29 Cb 1.55 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1uo0 h LEU 29 CO 0.03 -0.10 0.13 -0.07 0.09 0.00 0.00 178.44 178.51 1uo0 h LEU 30 N -0.30 0.00 -6.54 1.67 4.07 -1.28 -3.06 115.31 109.87 1uo0 h LEU 30 Ca -0.03 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.39 1uo0 h LEU 30 Cb 0.23 0.00 0.08 0.00 1.08 0.00 0.00 40.66 42.05 1uo0 h LEU 30 CO 0.04 0.00 1.87 0.61 -1.08 0.00 0.00 178.44 179.88 1uo0 n GLY 31 N -1.41 1.77 0.00 0.83 0.00 -0.64 -5.10 105.19 100.64 1uo0 n GLY 31 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1uo0 n GLY 31 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11