#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 0.37 0.00 -0.14 4.05 -2.06 -3.24 114.93 113.91 2r5b h MET 2 Ca 0.00 -0.35 -0.01 0.00 -0.28 0.00 0.00 59.70 59.06 2r5b h MET 2 Cb 0.00 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2r5b h MET 2 CO 0.00 1.02 -0.31 1.57 0.23 0.00 0.00 176.91 179.42 2r5b h LYS 3 N 0.23 0.00 -0.34 0.39 2.10 -2.05 -2.98 116.57 113.91 2r5b h LYS 3 Ca -0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 2r5b h LYS 3 Cb 1.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.76 2r5b h LYS 3 CO 0.14 0.04 0.09 0.37 -2.00 0.00 0.00 179.45 178.08 2r5b h GLN 4 N 0.00 0.55 -0.40 0.07 4.15 -1.99 -0.61 115.11 116.87 2r5b h GLN 4 Ca -0.00 -0.13 0.08 0.00 0.77 0.00 0.00 58.65 59.37 2r5b h GLN 4 Cb 1.03 -0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.56 2r5b h GLN 4 CO 0.00 0.60 -0.24 0.82 -1.93 0.00 0.00 178.83 178.08 2r5b h ILE 5 N 0.40 0.35 -0.29 2.39 2.04 -1.57 0.14 117.51 120.97 2r5b h ILE 5 Ca 0.11 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 2r5b h ILE 5 Cb 0.30 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2r5b h ILE 5 CO 0.00 0.00 0.18 -0.08 0.00 0.00 0.00 178.15 178.25 2r5b h GLU 6 N -0.17 0.39 -0.31 2.37 4.81 -1.37 -1.40 114.58 118.90 2r5b h GLU 6 Ca 0.19 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 2r5b h GLU 6 Cb 0.47 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 2r5b h GLU 6 CO -0.50 0.30 0.02 -0.44 -0.73 0.00 0.00 179.01 177.66 2r5b h ASP 7 N 0.37 -0.08 -0.68 1.04 3.45 -0.87 -2.47 116.42 117.18 2r5b h ASP 7 Ca 0.10 0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.58 2r5b h ASP 7 Cb 0.00 0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 2r5b h ASP 7 CO -0.02 -0.00 0.22 0.11 -1.57 0.00 0.00 179.24 177.98 2r5b h LYS 8 N 0.12 1.05 -0.30 3.56 1.57 -0.64 -1.06 116.57 120.88 2r5b h LYS 8 Ca 0.15 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2r5b h LYS 8 Cb 0.19 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2r5b h LYS 8 CO -0.23 0.91 0.14 0.82 -0.57 0.00 0.00 179.45 180.52 2r5b h ILE 9 N 0.99 0.98 -0.34 1.86 2.04 -1.16 -0.13 117.51 121.76 2r5b h ILE 9 Ca 0.22 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 2r5b h ILE 9 Cb 0.29 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2r5b h ILE 9 CO -0.01 0.05 -0.10 -0.33 0.00 0.00 0.00 178.15 177.76 2r5b h GLU 10 N 0.30 0.57 -0.26 2.37 3.07 -1.21 -1.17 114.58 118.24 2r5b h GLU 10 Ca 0.13 -0.16 -0.16 0.00 -0.50 0.00 0.00 59.36 58.66 2r5b h GLU 10 Cb 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2r5b h GLU 10 CO -0.10 0.67 -0.48 0.93 -1.40 0.00 0.00 179.01 178.63 2r5b h GLU 11 N 0.53 0.71 -0.19 2.33 3.07 -0.87 -2.10 114.58 118.05 2r5b h GLU 11 Ca 0.10 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 2r5b h GLU 11 Cb 0.49 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 2r5b h GLU 11 CO 0.03 1.03 0.09 0.82 -1.40 0.00 0.00 179.01 179.58 2r5b h ILE 12 N 0.56 1.14 -0.58 3.13 2.04 -0.81 -0.69 117.51 122.30 2r5b h ILE 12 Ca 0.03 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.55 2r5b h ILE 12 Cb 1.04 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 2r5b h ILE 12 CO 0.10 0.13 0.30 -0.33 0.00 0.00 0.00 178.15 178.35 2r5b h GLU 13 N 0.18 0.55 -0.54 2.37 5.08 -1.21 0.13 114.58 121.13 2r5b h GLU 13 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2r5b h GLU 13 Cb 0.12 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2r5b h GLU 13 CO -0.01 0.36 0.32 1.03 -1.00 0.00 0.00 179.01 179.71 2r5b h SER 14 N 0.56 0.66 -0.11 1.42 0.87 -1.28 -2.41 113.55 113.26 2r5b h SER 14 Ca 0.26 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2r5b h SER 14 Cb 0.18 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2r5b h SER 14 CO -0.18 0.54 -0.05 0.50 -0.53 0.00 0.00 176.83 177.11 2r5b h LYS 15 N 0.73 0.38 -0.47 2.24 1.63 -0.52 -1.86 116.57 118.70 2r5b h LYS 15 Ca 0.19 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.80 2r5b h LYS 15 Cb 0.01 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 2r5b h LYS 15 CO -0.03 0.45 -0.17 1.96 -3.45 0.00 0.00 179.45 178.21 2r5b h GLN 16 N 0.36 0.91 -0.57 1.90 4.20 -0.67 -1.38 115.11 119.86 2r5b h GLN 16 Ca 0.08 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 2r5b h GLN 16 Cb 0.33 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2r5b h GLN 16 CO 0.01 1.00 0.09 0.87 -0.67 0.00 0.00 178.83 180.14 2r5b h LYS 17 N 0.80 0.94 -0.35 1.46 1.57 -1.15 -1.01 116.57 118.84 2r5b h LYS 17 Ca 0.12 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2r5b h LYS 17 Cb 0.71 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 2r5b h LYS 17 CO 0.05 0.90 0.07 -0.22 -0.57 0.00 0.00 179.45 179.69 2r5b h LYS 18 N 0.84 0.19 -0.48 3.15 3.64 -1.21 -1.71 116.57 120.98 2r5b h LYS 18 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2r5b h LYS 18 Cb 0.42 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2r5b h LYS 18 CO 0.01 0.12 0.23 0.82 -2.27 0.00 0.00 179.45 178.36 2r5b h ILE 19 N 0.19 1.19 -0.59 2.00 2.04 -1.13 -1.81 117.51 119.41 2r5b h ILE 19 Ca 0.16 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 2r5b h ILE 19 Cb 0.18 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2r5b h ILE 19 CO -0.21 0.21 0.17 -0.33 0.00 0.00 0.00 178.15 177.99 2r5b h GLU 20 N 0.64 0.89 -0.65 2.37 4.39 -1.03 -0.45 114.58 120.74 2r5b h GLU 20 Ca 0.17 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 2r5b h GLU 20 Cb 0.13 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2r5b h GLU 20 CO -0.02 0.77 0.20 -0.91 -1.16 0.00 0.00 179.01 177.89 2r5b h ASN 21 N 0.86 0.93 -0.48 1.42 2.35 -1.09 -1.18 115.58 118.39 2r5b h ASN 21 Ca 0.19 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 2r5b h ASN 21 Cb 0.26 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2r5b h ASN 21 CO -0.01 0.87 -0.17 -0.33 -1.65 0.00 0.00 177.43 176.14 2r5b h GLU 22 N 0.96 0.97 -0.43 0.81 5.08 -0.80 -2.25 114.58 118.92 2r5b h GLU 22 Ca 0.21 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2r5b h GLU 22 Cb 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2r5b h GLU 22 CO -0.01 1.06 0.22 0.82 -1.00 0.00 0.00 179.01 180.11 2r5b h ILE 23 N 0.82 1.17 -0.90 3.13 2.04 -0.94 0.00 117.51 122.83 2r5b h ILE 23 Ca 0.12 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2r5b h ILE 23 Cb 0.74 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2r5b h ILE 23 CO 0.06 0.18 0.59 0.00 0.00 0.00 0.00 178.15 178.98 2r5b h ALA 24 N 1.07 1.15 -0.61 1.87 0.00 -1.09 -0.29 119.26 121.36 2r5b h ALA 24 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2r5b h ALA 24 Cb 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2r5b h ALA 24 CO -0.02 0.51 0.19 0.00 0.00 0.00 0.00 179.25 179.93 2r5b h ARG 25 N 1.19 0.95 -0.28 0.00 3.08 -1.04 -2.60 114.38 115.69 2r5b h ARG 25 Ca 0.34 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2r5b h ARG 25 Cb -0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2r5b h ARG 25 CO -0.08 0.85 0.15 0.82 -1.07 0.00 0.00 179.97 180.63 2r5b h ILE 26 N 0.88 1.13 -0.71 2.04 2.04 -0.59 -2.50 117.51 119.80 2r5b h ILE 26 Ca 0.20 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.76 2r5b h ILE 26 Cb 0.29 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2r5b h ILE 26 CO -0.01 0.13 0.42 0.11 0.00 0.00 0.00 178.15 178.80 2r5b h LYS 27 N 0.33 0.76 -0.33 2.37 1.57 -0.99 0.89 116.57 121.16 2r5b h LYS 27 Ca 0.10 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2r5b h LYS 27 Cb 0.08 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2r5b h LYS 27 CO -0.01 0.50 0.17 0.87 -0.57 0.00 0.00 179.45 180.41 2r5b h LYS 28 N 0.78 0.35 -0.36 3.15 1.57 -1.32 -1.21 116.57 119.53 2r5b h LYS 28 Ca 0.30 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.92 2r5b h LYS 28 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2r5b h LYS 28 CO -0.16 0.23 -0.34 1.25 -0.57 0.00 0.00 179.45 179.86 2r5b h LEU 29 N 0.36 0.86 -0.71 2.94 5.85 -0.99 -2.48 115.31 121.14 2r5b h LEU 29 Ca 0.14 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.56 2r5b h LEU 29 Cb 0.04 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 2r5b h LEU 29 CO -0.09 1.12 0.39 -0.07 -0.34 0.00 0.00 178.44 179.45 2r5b h LEU 30 N 0.68 0.56 -0.98 2.25 3.38 -0.68 -0.24 115.31 120.28 2r5b h LEU 30 Ca 0.07 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2r5b h LEU 30 Cb 0.89 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2r5b h LEU 30 CO 0.08 0.35 0.08 1.56 0.09 0.00 0.00 178.44 180.60 2r5b h GLN 31 N 0.70 0.82 -0.19 1.13 1.08 -0.98 -0.67 115.11 117.00 2r5b h GLN 31 Ca 0.33 -0.19 0.02 0.00 -1.45 0.00 0.00 58.65 57.36 2r5b h GLN 31 Cb 0.25 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2r5b h GLN 31 CO -0.21 0.77 0.06 -0.07 -0.95 0.00 0.00 178.83 178.44 2r5b h LEU 32 N 0.78 0.07 -0.86 1.46 3.38 -0.94 -1.77 115.31 117.43 2r5b h LEU 32 Ca 0.17 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2r5b h LEU 32 Cb 0.36 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2r5b h LEU 32 CO 0.01 0.07 0.06 0.71 0.09 0.00 0.00 178.44 179.38 2r5b h THR 33 N 0.15 1.25 -0.50 0.22 1.35 -0.66 -0.75 112.91 113.97 2r5b h THR 33 Ca 0.08 -0.98 0.07 0.00 -0.55 0.00 0.00 66.41 65.03 2r5b h THR 33 Cb 0.05 0.75 -0.06 0.00 -1.73 0.00 0.00 68.15 67.16 2r5b h THR 33 CO -0.08 0.36 0.16 0.58 -0.25 0.00 0.00 175.52 176.28 2r5b h VAL 34 N 0.85 0.80 -0.63 6.82 2.07 -1.05 -0.87 116.25 124.25 2r5b h VAL 34 Ca 0.17 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 2r5b h VAL 34 Cb 0.42 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2r5b h VAL 34 CO 0.01 0.06 0.16 -0.25 0.02 0.00 0.00 177.57 177.57 2r5b h TRP 35 N 0.32 1.05 -0.47 1.57 7.01 -0.81 -2.31 115.95 122.30 2r5b h TRP 35 Ca 0.24 -0.12 -0.08 0.00 2.11 0.00 0.00 58.89 61.04 2r5b h TRP 35 Cb 0.28 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 2r5b h TRP 35 CO -0.18 0.87 -0.04 0.78 -2.79 0.00 0.00 178.44 177.09 2r5b h GLY 36 N 0.92 0.92 0.97 2.65 0.00 -0.70 -1.55 103.07 106.29 2r5b h GLY 36 Ca 0.20 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2r5b h GLY 36 CO 0.00 0.65 0.22 -2.22 0.00 0.00 0.00 176.54 175.19 2r5b h ILE 37 N 0.70 1.19 -0.82 2.60 2.04 -1.11 -1.24 117.51 120.88 2r5b h ILE 37 Ca 0.13 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.52 2r5b h ILE 37 Cb 0.56 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2r5b h ILE 37 CO 0.03 0.21 0.49 0.50 0.00 0.00 0.00 178.15 179.38 2r5b h LYS 38 N 0.61 0.84 -0.27 2.37 3.64 -1.25 0.18 116.57 122.69 2r5b h LYS 38 Ca 0.16 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2r5b h LYS 38 Cb 0.13 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2r5b h LYS 38 CO -0.02 0.56 -0.08 1.96 -2.27 0.00 0.00 179.45 179.60 2r5b h GLN 39 N 0.87 0.53 -0.51 1.90 1.08 -0.92 -2.31 115.11 115.75 2r5b h GLN 39 Ca 0.37 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2r5b h GLN 39 Cb 0.24 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2r5b h GLN 39 CO -0.20 0.75 0.25 -0.07 -0.95 0.00 0.00 178.83 178.61 2r5b h LEU 40 N 0.28 0.66 -0.24 1.46 3.38 -0.87 -1.28 115.31 118.71 2r5b h LEU 40 Ca 0.07 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2r5b h LEU 40 Cb 0.56 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2r5b h LEU 40 CO 0.03 0.60 0.11 -0.61 0.09 0.00 0.00 178.44 178.65 2r5b h GLN 41 N 0.68 0.23 -0.96 1.13 4.15 -0.96 -0.87 115.11 118.51 2r5b h GLN 41 Ca 0.18 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.60 2r5b h GLN 41 Cb 0.10 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 2r5b h GLN 41 CO -0.02 0.15 0.63 0.00 -1.93 0.00 0.00 178.83 177.66 2r5b h ALA 42 N 1.13 1.24 -0.41 3.38 0.00 -1.18 0.49 119.26 123.91 2r5b h ALA 42 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2r5b h ALA 42 Cb 0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2r5b h ALA 42 CO -0.07 0.57 0.11 -0.09 0.00 0.00 0.00 179.25 179.76 2r5b h ARG 43 N 1.26 0.65 0.01 0.00 2.43 -0.79 -3.18 114.38 114.76 2r5b h ARG 43 Ca 0.36 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 59.18 2r5b h ARG 43 Cb -0.09 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2r5b h ARG 43 CO -0.10 0.66 -0.98 -0.84 -1.51 0.00 0.00 179.97 177.21 2r5b h ILE 44 N 0.52 1.66 -0.02 1.20 3.07 -0.86 -3.51 117.51 119.55 2r5b h ILE 44 Ca 0.13 -3.21 0.00 0.00 1.55 0.00 0.00 64.86 63.33 2r5b h ILE 44 Cb 0.30 2.76 0.00 0.00 -0.27 0.00 0.00 36.82 39.61 2r5b h ILE 44 CO -0.00 0.92 0.00 0.18 -1.05 0.00 0.00 178.15 178.20