#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5b h MET 2 N 0.00 0.96 -0.44 -0.14 2.86 -2.05 -1.57 114.93 114.55 2r5b h MET 2 Ca 0.00 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2r5b h MET 2 Cb 0.00 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2r5b h MET 2 CO 0.00 0.85 0.16 -0.22 1.06 0.00 0.00 176.91 178.75 2r5b h LYS 3 N 0.92 0.66 -0.67 1.72 3.64 -2.05 0.38 116.57 121.18 2r5b h LYS 3 Ca 0.20 -0.13 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 2r5b h LYS 3 Cb 0.31 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 31.94 2r5b h LYS 3 CO -0.00 0.63 0.22 1.96 -2.27 0.00 0.00 179.45 179.99 2r5b h GLN 4 N 0.56 0.36 -0.24 1.90 4.20 -1.93 0.13 115.11 120.09 2r5b h GLN 4 Ca 0.14 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 2r5b h GLN 4 Cb 0.22 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2r5b h GLN 4 CO -0.01 0.24 -0.09 0.82 -0.67 0.00 0.00 178.83 179.12 2r5b h ILE 5 N 0.37 1.29 -0.71 2.54 2.04 -0.93 -1.94 117.51 120.18 2r5b h ILE 5 Ca 0.36 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2r5b h ILE 5 Cb 0.52 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 2r5b h ILE 5 CO -0.38 0.35 0.42 -0.33 0.00 0.00 0.00 178.15 178.21 2r5b h GLU 6 N 0.22 0.98 -0.74 2.37 5.08 -0.47 -0.61 114.58 121.39 2r5b h GLU 6 Ca 0.06 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2r5b h GLU 6 Cb 0.57 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2r5b h GLU 6 CO 0.03 0.70 0.43 -0.44 -1.00 0.00 0.00 179.01 178.73 2r5b h ASP 7 N 0.98 0.64 -0.40 1.42 3.45 -0.70 -0.78 116.42 121.03 2r5b h ASP 7 Ca 0.26 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.73 2r5b h ASP 7 Cb -0.02 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 2r5b h ASP 7 CO -0.05 0.40 0.19 0.11 -1.57 0.00 0.00 179.24 178.32 2r5b h LYS 8 N 0.77 0.58 -0.73 3.56 1.57 -0.76 -2.45 116.57 119.11 2r5b h LYS 8 Ca 0.34 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 2r5b h LYS 8 Cb 0.22 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 2r5b h LYS 8 CO -0.19 0.52 0.45 0.82 -0.57 0.00 0.00 179.45 180.48 2r5b h ILE 9 N 0.51 1.08 -0.98 1.86 2.04 -0.87 -1.76 117.51 119.39 2r5b h ILE 9 Ca 0.14 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.75 2r5b h ILE 9 Cb 0.13 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 2r5b h ILE 9 CO -0.02 0.16 0.64 -0.33 0.00 0.00 0.00 178.15 178.60 2r5b h GLU 10 N 0.88 1.15 -0.27 2.37 5.08 -0.86 0.28 114.58 123.21 2r5b h GLU 10 Ca 0.30 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.44 2r5b h GLU 10 Cb 0.05 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2r5b h GLU 10 CO -0.12 0.76 -0.43 0.93 -1.00 0.00 0.00 179.01 179.15 2r5b h GLU 11 N 1.19 0.66 -0.23 2.33 5.08 -1.12 -1.93 114.58 120.56 2r5b h GLU 11 Ca 0.40 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2r5b h GLU 11 Cb 0.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2r5b h GLU 11 CO -0.14 0.96 0.12 0.82 -1.00 0.00 0.00 179.01 179.77 2r5b h ILE 12 N 0.54 1.13 -0.46 3.13 2.04 -0.60 -1.52 117.51 121.78 2r5b h ILE 12 Ca 0.04 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2r5b h ILE 12 Cb 0.96 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2r5b h ILE 12 CO 0.09 0.13 0.29 -0.33 0.00 0.00 0.00 178.15 178.32 2r5b h GLU 13 N 0.25 0.62 0.09 2.37 5.08 -0.91 0.12 114.58 122.21 2r5b h GLU 13 Ca 0.08 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2r5b h GLU 13 Cb 0.10 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2r5b h GLU 13 CO -0.01 0.44 -0.26 1.03 -1.00 0.00 0.00 179.01 179.22 2r5b h SER 14 N 0.62 -0.73 -0.88 1.42 0.87 -1.32 -1.48 113.55 112.04 2r5b h SER 14 Ca 0.17 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.92 2r5b h SER 14 Cb -0.02 0.28 -0.08 0.00 -0.44 0.00 0.00 62.40 62.14 2r5b h SER 14 CO -0.03 -0.34 0.52 0.50 -0.53 0.00 0.00 176.83 176.94 2r5b h LYS 15 N -0.45 0.82 -0.68 2.24 1.63 -1.08 -1.90 116.57 117.15 2r5b h LYS 15 Ca 0.04 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 2r5b h LYS 15 Cb 0.49 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 2r5b h LYS 15 CO -0.16 0.54 0.17 0.37 -3.45 0.00 0.00 179.45 176.92 2r5b h GLN 16 N 0.84 1.07 -0.46 1.90 4.15 -0.42 0.11 115.11 122.31 2r5b h GLN 16 Ca 0.43 -0.24 -0.10 0.00 0.77 0.00 0.00 58.65 59.51 2r5b h GLN 16 Cb 0.42 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 2r5b h GLN 16 CO -0.26 0.94 -0.11 0.87 -1.93 0.00 0.00 178.83 178.34 2r5b h LYS 17 N 1.02 0.83 -0.38 1.69 1.79 -0.92 0.83 116.57 121.43 2r5b h LYS 17 Ca 0.22 -0.29 0.04 0.00 -2.18 0.00 0.00 60.65 58.44 2r5b h LYS 17 Cb 0.34 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 2r5b h LYS 17 CO -0.00 0.91 0.14 -0.22 -1.08 0.00 0.00 179.45 179.19 2r5b h LYS 18 N 0.75 0.28 -0.24 3.15 3.64 -0.78 -0.98 116.57 122.40 2r5b h LYS 18 Ca 0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2r5b h LYS 18 Cb 0.61 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2r5b h LYS 18 CO 0.04 0.19 0.11 0.82 -2.27 0.00 0.00 179.45 178.34 2r5b h ILE 19 N 0.29 1.14 -0.81 2.00 2.04 -0.66 -1.37 117.51 120.14 2r5b h ILE 19 Ca 0.17 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.70 2r5b h ILE 19 Cb 0.15 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 2r5b h ILE 19 CO -0.17 0.14 0.47 -0.33 0.00 0.00 0.00 178.15 178.26 2r5b h GLU 20 N 0.25 0.78 -0.29 2.37 5.08 -0.69 0.05 114.58 122.12 2r5b h GLU 20 Ca 0.08 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2r5b h GLU 20 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2r5b h GLU 20 CO -0.01 0.52 -0.26 -0.91 -1.00 0.00 0.00 179.01 177.34 2r5b h ASN 21 N 0.80 0.59 -0.27 1.42 2.35 -1.04 -1.47 115.58 117.96 2r5b h ASN 21 Ca 0.39 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2r5b h ASN 21 Cb 0.32 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2r5b h ASN 21 CO -0.23 0.83 0.07 -0.33 -1.65 0.00 0.00 177.43 176.12 2r5b h GLU 22 N 0.50 0.43 -0.56 0.81 5.08 -0.60 -2.29 114.58 117.94 2r5b h GLU 22 Ca 0.07 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2r5b h GLU 22 Cb 0.72 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2r5b h GLU 22 CO 0.06 0.51 0.14 0.82 -1.00 0.00 0.00 179.01 179.54 2r5b h ILE 23 N 0.27 1.23 -0.52 3.13 2.04 -0.91 -1.22 117.51 121.53 2r5b h ILE 23 Ca 0.09 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2r5b h ILE 23 Cb 0.27 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2r5b h ILE 23 CO -0.00 0.31 0.34 0.00 0.00 0.00 0.00 178.15 178.80 2r5b h ALA 24 N 1.32 0.66 -0.56 1.87 0.00 -1.20 -0.91 119.26 120.44 2r5b h ALA 24 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2r5b h ALA 24 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2r5b h ALA 24 CO -0.00 0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.71 2r5b h ARG 25 N 0.70 0.75 -0.05 0.00 3.08 -1.11 -1.85 114.38 115.90 2r5b h ARG 25 Ca 0.19 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2r5b h ARG 25 Cb -0.08 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 2r5b h ARG 25 CO -0.04 0.51 0.02 0.82 -1.07 0.00 0.00 179.97 180.21 2r5b h ILE 26 N 0.76 1.10 -0.83 2.04 2.04 -1.01 -2.03 117.51 119.58 2r5b h ILE 26 Ca 0.21 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2r5b h ILE 26 Cb -0.07 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2r5b h ILE 26 CO -0.04 0.08 0.55 0.11 0.00 0.00 0.00 178.15 178.84 2r5b h LYS 27 N -0.04 1.03 -0.64 2.37 1.57 -1.03 0.73 116.57 120.57 2r5b h LYS 27 Ca 0.02 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2r5b h LYS 27 Cb 0.11 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2r5b h LYS 27 CO -0.00 0.68 0.11 0.87 -0.57 0.00 0.00 179.45 180.54 2r5b h LYS 28 N 1.06 1.05 -0.19 3.15 1.57 -1.21 -0.78 116.57 121.23 2r5b h LYS 28 Ca 0.32 -0.28 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 2r5b h LYS 28 Cb -0.03 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.16 2r5b h LYS 28 CO -0.09 0.97 -0.71 1.25 -0.57 0.00 0.00 179.45 180.31 2r5b h LEU 29 N 0.96 0.91 -0.74 2.94 5.85 -0.88 -2.47 115.31 121.88 2r5b h LEU 29 Ca 0.19 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 2r5b h LEU 29 Cb 0.43 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2r5b h LEU 29 CO 0.01 1.35 0.37 0.25 -0.34 0.00 0.00 178.44 180.08 2r5b h LEU 30 N 0.55 0.96 -0.89 2.25 6.46 -0.83 -1.46 115.31 122.35 2r5b h LEU 30 Ca -0.03 -0.12 0.09 0.00 -0.12 0.00 0.00 57.88 57.69 2r5b h LEU 30 Cb 1.32 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.93 2r5b h LEU 30 CO 0.15 0.81 0.54 -0.61 -0.62 0.00 0.00 178.44 178.71 2r5b h GLN 31 N 1.03 0.89 -0.40 1.25 4.15 -1.08 -1.16 115.11 119.79 2r5b h GLN 31 Ca 0.26 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.57 2r5b h GLN 31 Cb 0.10 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 2r5b h GLN 31 CO -0.03 0.59 0.07 -0.07 -1.93 0.00 0.00 178.83 177.46 2r5b h LEU 32 N 0.92 0.64 -0.58 -2.39 3.38 -0.88 -2.18 115.31 114.21 2r5b h LEU 32 Ca 0.42 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 2r5b h LEU 32 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2r5b h LEU 32 CO -0.23 0.73 -0.33 0.71 0.09 0.00 0.00 178.44 179.42 2r5b h THR 33 N 0.52 1.28 -0.34 0.22 1.35 -0.90 0.61 112.91 115.64 2r5b h THR 33 Ca 0.12 -1.48 0.03 0.00 -0.55 0.00 0.00 66.41 64.54 2r5b h THR 33 Cb 0.36 1.36 -0.03 0.00 -1.73 0.00 0.00 68.15 68.11 2r5b h THR 33 CO 0.01 0.49 0.13 0.58 -0.25 0.00 0.00 175.52 176.48 2r5b h VAL 34 N 0.65 0.93 -0.55 6.82 2.07 -1.20 -0.71 116.25 124.25 2r5b h VAL 34 Ca 0.07 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2r5b h VAL 34 Cb 0.87 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2r5b h VAL 34 CO 0.08 0.05 0.36 -0.25 0.02 0.00 0.00 177.57 177.83 2r5b h TRP 35 N 0.29 0.70 -0.62 1.57 7.01 -0.95 -1.66 115.95 122.29 2r5b h TRP 35 Ca 0.15 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.09 2r5b h TRP 35 Cb 0.11 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 2r5b h TRP 35 CO -0.13 0.45 0.09 0.78 -2.79 0.00 0.00 178.44 176.84 2r5b h GLY 36 N 0.75 1.12 0.95 2.65 0.00 -0.50 -0.26 103.07 107.78 2r5b h GLY 36 Ca 0.20 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 2r5b h GLY 36 CO -0.04 0.70 0.19 -2.22 0.00 0.00 0.00 176.54 175.16 2r5b h ILE 37 N 0.95 1.19 -0.92 2.60 2.04 -0.98 -1.79 117.51 120.59 2r5b h ILE 37 Ca 0.19 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.50 2r5b h ILE 37 Cb 0.44 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 2r5b h ILE 37 CO 0.01 0.21 0.61 0.50 0.00 0.00 0.00 178.15 179.49 2r5b h LYS 38 N 0.55 1.17 -0.19 2.37 3.64 -0.99 -0.74 116.57 122.38 2r5b h LYS 38 Ca 0.14 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2r5b h LYS 38 Cb 0.16 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2r5b h LYS 38 CO -0.01 0.77 -0.04 1.96 -2.27 0.00 0.00 179.45 179.86 2r5b h GLN 39 N 1.21 0.37 -0.45 1.90 1.08 -0.79 -2.55 115.11 115.87 2r5b h GLN 39 Ca 0.35 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2r5b h GLN 39 Cb -0.07 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2r5b h GLN 39 CO -0.09 0.62 0.27 -0.07 -0.95 0.00 0.00 178.83 178.61 2r5b h LEU 40 N 0.09 0.55 -0.24 1.46 3.38 -1.18 -1.74 115.31 117.64 2r5b h LEU 40 Ca 0.05 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2r5b h LEU 40 Cb 0.48 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2r5b h LEU 40 CO 0.02 0.45 0.07 -0.61 0.09 0.00 0.00 178.44 178.46 2r5b h GLN 41 N 0.60 0.17 -0.90 1.13 4.15 -1.14 -0.45 115.11 118.67 2r5b h GLN 41 Ca 0.16 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.65 2r5b h GLN 41 Cb 0.01 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 2r5b h GLN 41 CO -0.03 0.11 0.58 0.00 -1.93 0.00 0.00 178.83 177.56 2r5b h ALA 42 N 1.15 1.56 -0.22 3.38 0.00 -1.32 -0.06 119.26 123.76 2r5b h ALA 42 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2r5b h ALA 42 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2r5b h ALA 42 CO -0.12 0.28 -0.02 -0.09 0.00 0.00 0.00 179.25 179.31 2r5b h ARG 43 N 0.96 0.39 0.00 0.00 2.43 -0.57 -3.24 114.38 114.36 2r5b h ARG 43 Ca 0.40 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 59.29 2r5b h ARG 43 Cb 0.29 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2r5b h ARG 43 CO -0.16 0.60 -0.66 -0.84 -1.51 0.00 0.00 179.97 177.40 2r5b h ILE 44 N 0.15 1.29 0.00 1.20 3.07 -0.64 -3.51 117.51 119.06 2r5b h ILE 44 Ca 0.06 -2.43 0.00 0.00 1.55 0.00 0.00 64.86 64.04 2r5b h ILE 44 Cb 0.44 2.38 0.00 0.00 -0.27 0.00 0.00 36.82 39.37 2r5b h ILE 44 CO 0.01 0.65 0.00 0.18 -1.05 0.00 0.00 178.15 177.94