#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h01 n THR 10 N 0.00 -0.34 -0.00 2.97 -2.24 -1.26 0.73 114.28 114.14 3h01 n THR 10 Ca 0.00 1.52 -0.02 0.00 -2.27 0.00 0.00 64.05 63.27 3h01 n THR 10 Cb 0.00 -1.90 0.23 0.00 -2.10 0.00 0.00 70.33 66.56 3h01 n THR 10 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3h01 h SER 11 N 0.00 0.52 0.00 3.42 4.64 -2.06 -1.48 113.55 118.59 3h01 h SER 11 Ca 0.08 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3h01 h SER 11 Cb 0.20 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3h01 h SER 11 CO -0.46 0.68 -0.16 0.25 -0.87 0.00 0.00 176.83 176.27 3h01 h LEU 12 N 0.49 0.13 -0.88 5.97 5.85 -1.11 -2.79 115.31 122.96 3h01 h LEU 12 Ca 0.09 -0.81 -0.09 0.00 0.84 0.00 0.00 57.88 57.91 3h01 h LEU 12 Cb 0.52 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3h01 h LEU 12 CO 0.03 0.92 -0.17 0.40 -0.34 0.00 0.00 178.44 179.28 3h01 h ILE 13 N -0.65 1.26 -0.69 4.05 2.04 0.24 -2.42 117.51 121.34 3h01 h ILE 13 Ca -0.02 -1.20 0.15 0.00 1.00 0.00 0.00 64.86 64.79 3h01 h ILE 13 Cb 0.95 1.18 -0.11 0.00 -0.74 0.00 0.00 36.82 38.10 3h01 h ILE 13 CO 0.03 0.40 0.10 1.12 0.00 0.00 0.00 178.15 179.80 3h01 h HIS 14 N 0.57 0.14 0.00 1.37 -0.00 -1.31 -1.60 115.15 114.31 3h01 h HIS 14 Ca 0.09 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 3h01 h HIS 14 Cb 0.62 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 3h01 h HIS 14 CO 0.03 -0.12 -0.18 0.77 -0.00 0.00 0.00 177.93 178.42 3h01 h SER 15 N 0.20 0.00 -0.03 3.10 0.02 -1.14 -2.78 113.55 112.92 3h01 h SER 15 Ca 0.38 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.26 3h01 h SER 15 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3h01 h SER 15 CO -0.52 0.18 -0.27 0.25 -1.14 0.00 0.00 176.83 175.33 3h01 h LEU 16 N 0.00 0.29 -0.49 5.07 5.85 -1.16 0.15 115.31 125.02 3h01 h LEU 16 Ca -0.00 -0.71 -0.07 0.00 0.84 0.00 0.00 57.88 57.95 3h01 h LEU 16 Cb 0.54 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3h01 h LEU 16 CO 0.02 0.95 0.05 0.40 -0.34 0.00 0.00 178.44 179.52 3h01 h ILE 17 N -0.35 1.26 -1.00 4.05 2.04 -1.62 -1.08 117.51 120.81 3h01 h ILE 17 Ca -0.03 -0.98 0.10 0.00 1.00 0.00 0.00 64.86 64.95 3h01 h ILE 17 Cb 0.97 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.91 3h01 h ILE 17 CO 0.05 0.35 0.64 -0.33 0.00 0.00 0.00 178.15 178.86 3h01 h GLU 18 N 0.70 1.02 -0.36 2.37 5.08 -1.52 0.46 114.58 122.32 3h01 h GLU 18 Ca 0.14 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3h01 h GLU 18 Cb 0.44 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3h01 h GLU 18 CO 0.02 0.67 0.13 1.05 -1.00 0.00 0.00 179.01 179.88 3h01 h GLU 19 N 1.05 0.55 -0.25 2.33 9.09 -0.28 0.17 114.58 127.24 3h01 h GLU 19 Ca 0.48 -0.11 -0.00 0.00 0.05 0.00 0.00 59.36 59.78 3h01 h GLU 19 Cb 0.39 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 3h01 h GLU 19 CO -0.23 0.54 0.15 1.03 0.05 0.00 0.00 179.01 180.55 3h01 h SER 20 N 0.44 0.30 -0.80 3.06 0.87 -0.48 -1.22 113.55 115.71 3h01 h SER 20 Ca 0.12 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3h01 h SER 20 Cb 0.21 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 3h01 h SER 20 CO -0.01 0.26 0.41 1.56 -0.53 0.00 0.00 176.83 178.53 3h01 h GLN 21 N 0.30 1.13 -0.25 2.24 4.20 0.06 -1.91 115.11 120.88 3h01 h GLN 21 Ca 0.09 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.68 3h01 h GLN 21 Cb 0.02 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 3h01 h GLN 21 CO -0.02 0.85 0.09 -0.97 -0.67 0.00 0.00 178.83 178.12 3h01 h ASN 22 N 1.12 0.10 -0.36 1.46 -0.73 -0.43 -1.22 115.58 115.52 3h01 h ASN 22 Ca 0.28 0.03 0.06 0.00 1.87 0.00 0.00 56.30 58.54 3h01 h ASN 22 Cb 0.07 0.01 -0.06 0.00 0.27 0.00 0.00 38.32 38.62 3h01 h ASN 22 CO -0.04 0.09 0.01 1.56 -0.37 0.00 0.00 177.43 178.68 3h01 h GLN 23 N 0.20 0.10 -0.80 6.67 7.50 -0.97 -1.15 115.11 126.67 3h01 h GLN 23 Ca 0.11 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.27 3h01 h GLN 23 Cb 0.08 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.54 3h01 h GLN 23 CO -0.11 0.07 0.53 1.96 -1.50 0.00 0.00 178.83 179.78 3h01 h GLN 24 N 0.11 1.05 -0.60 1.46 4.20 -1.15 -1.14 115.11 119.04 3h01 h GLN 24 Ca 0.18 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3h01 h GLN 24 Cb 0.24 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3h01 h GLN 24 CO -0.29 0.69 0.32 0.93 -0.67 0.00 0.00 178.83 179.81 3h01 h GLU 25 N 1.08 0.84 -0.42 1.46 5.08 -0.72 0.68 114.58 122.57 3h01 h GLU 25 Ca 0.30 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3h01 h GLU 25 Cb -0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 3h01 h GLU 25 CO -0.07 0.65 0.16 0.87 -1.00 0.00 0.00 179.01 179.62 3h01 h LYS 26 N 0.81 0.64 -0.76 2.33 1.57 -1.00 -1.30 116.57 118.87 3h01 h LYS 26 Ca 0.21 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3h01 h LYS 26 Cb 0.06 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3h01 h LYS 26 CO -0.03 0.61 0.26 -0.07 -0.57 0.00 0.00 179.45 179.65 3h01 h LEU 27 N 0.54 1.07 -0.79 2.94 3.38 -1.00 -0.37 115.31 121.08 3h01 h LEU 27 Ca 0.14 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3h01 h LEU 27 Cb 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3h01 h LEU 27 CO -0.01 0.98 0.52 -0.08 0.09 0.00 0.00 178.44 179.93 3h01 h GLU 28 N 1.11 1.01 -0.30 1.13 4.57 -0.69 -1.12 114.58 120.29 3h01 h GLU 28 Ca 0.25 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.24 3h01 h GLU 28 Cb 0.27 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3h01 h GLU 28 CO -0.01 0.67 -0.33 0.37 -1.18 0.00 0.00 179.01 178.53 3h01 h GLN 29 N 1.04 0.65 -0.80 1.92 5.75 -0.69 -1.76 115.11 121.23 3h01 h GLN 29 Ca 0.30 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3h01 h GLN 29 Cb -0.08 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3h01 h GLN 29 CO -0.08 0.89 0.42 0.93 -2.65 0.00 0.00 178.83 178.35 3h01 h GLU 30 N 0.55 1.13 -0.45 1.69 5.08 -0.83 -0.69 114.58 121.06 3h01 h GLU 30 Ca 0.06 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3h01 h GLU 30 Cb 0.83 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3h01 h GLU 30 CO 0.07 0.84 0.14 1.25 -1.00 0.00 0.00 179.01 180.31 3h01 h LEU 31 N 1.13 0.65 -0.70 1.33 5.85 -0.86 -0.04 115.31 122.67 3h01 h LEU 31 Ca 0.28 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3h01 h LEU 31 Cb 0.06 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3h01 h LEU 31 CO -0.04 0.69 0.22 -0.07 -0.34 0.00 0.00 178.44 178.90 3h01 h LEU 32 N 0.58 1.01 -0.56 2.25 3.38 -0.95 0.17 115.31 121.19 3h01 h LEU 32 Ca 0.14 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3h01 h LEU 32 Cb 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3h01 h LEU 32 CO -0.00 0.95 0.04 -0.33 0.09 0.00 0.00 178.44 179.18 3h01 h GLU 33 N 1.02 0.96 -0.69 1.13 4.39 -0.94 -1.87 114.58 118.58 3h01 h GLU 33 Ca 0.23 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 3h01 h GLU 33 Cb 0.29 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3h01 h GLU 33 CO -0.01 0.94 0.24 1.25 -1.16 0.00 0.00 179.01 180.27 3h01 h LEU 34 N 0.84 0.96 -1.11 1.33 5.85 -0.58 -1.63 115.31 120.98 3h01 h LEU 34 Ca 0.16 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3h01 h LEU 34 Cb 0.48 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3h01 h LEU 34 CO 0.02 0.88 0.43 0.44 -0.34 0.00 0.00 178.44 179.88 3h01 h ASP 35 N 1.01 0.93 -0.58 1.25 3.32 -0.39 0.84 116.42 122.79 3h01 h ASP 35 Ca 0.23 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3h01 h ASP 35 Cb 0.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3h01 h ASP 35 CO -0.01 0.73 0.12 0.11 -1.72 0.00 0.00 179.24 178.47 3h01 h LYS 36 N 1.05 0.95 -0.47 3.56 1.57 -0.74 -1.11 116.57 121.37 3h01 h LYS 36 Ca 0.27 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3h01 h LYS 36 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3h01 h LYS 36 CO -0.05 0.89 0.19 2.35 -0.57 0.00 0.00 179.45 182.26 3h01 h TRP 37 N 0.85 0.72 -0.78 -1.35 2.91 -0.50 -1.80 115.95 116.00 3h01 h TRP 37 Ca 0.18 -0.05 0.05 0.00 1.13 0.00 0.00 58.89 60.20 3h01 h TRP 37 Cb 0.39 -0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 28.77 3h01 h TRP 37 CO 0.03 0.61 0.47 0.00 -1.03 0.00 0.00 178.44 178.52 3h01 h ALA 38 N 1.04 1.05 -0.72 2.65 0.00 -0.64 0.17 119.26 122.81 3h01 h ALA 38 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3h01 h ALA 38 Cb 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3h01 h ALA 38 CO -0.01 0.21 0.39 1.03 0.00 0.00 0.00 179.25 180.86 3h01 h SER 39 N 0.88 0.90 0.02 0.00 0.87 -0.92 0.99 113.55 116.29 3h01 h SER 39 Ca 0.33 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3h01 h SER 39 Cb 0.13 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3h01 h SER 39 CO -0.16 0.75 -0.01 0.25 -0.53 0.00 0.00 176.83 177.13 3h01 h LEU 40 N 0.99 -0.02 -0.75 2.23 6.46 -0.43 -1.70 115.31 122.08 3h01 h LEU 40 Ca 0.25 -0.22 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 3h01 h LEU 40 Cb 0.05 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3h01 h LEU 40 CO -0.04 0.21 0.28 -0.25 -0.62 0.00 0.00 178.44 178.02 3h01 h TRP 41 N -0.26 1.17 -0.69 1.25 2.91 -0.50 -2.31 115.95 117.51 3h01 h TRP 41 Ca -0.00 -0.10 -0.04 0.00 1.13 0.00 0.00 58.89 59.88 3h01 h TRP 41 Cb 0.25 -0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 28.52 3h01 h TRP 41 CO 0.00 0.90 0.29 -0.97 -1.03 0.00 0.00 178.44 177.63 3h01 h ASN 42 N 1.10 0.93 -0.41 2.65 -1.24 -0.75 -0.59 115.58 117.28 3h01 h ASN 42 Ca 0.25 -0.13 0.01 0.00 0.71 0.00 0.00 56.30 57.14 3h01 h ASN 42 Cb 0.25 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 3h01 h ASN 42 CO -0.02 0.82 0.26 -0.25 -1.29 0.00 0.00 177.43 176.96 3h01 h TRP 43 N 1.00 0.50 -0.59 0.67 7.01 -0.84 0.81 115.95 124.51 3h01 h TRP 43 Ca 0.24 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.25 3h01 h TRP 43 Cb 0.18 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 3h01 h TRP 43 CO 0.02 0.31 0.39 0.74 -2.79 0.00 0.00 178.44 177.10 3h01 h PHE 44 N 0.54 0.74 -0.47 2.65 0.04 -0.95 -0.90 116.94 118.59 3h01 h PHE 44 Ca 0.15 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 3h01 h PHE 44 Cb -0.05 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.83 3h01 h PHE 44 CO -0.05 0.47 0.21 -0.91 -0.60 0.00 0.00 178.31 177.42 3h01 h ASN 45 N 0.80 0.63 -0.31 2.17 2.35 -0.59 -0.72 115.58 119.91 3h01 h ASN 45 Ca 0.22 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 3h01 h ASN 45 Cb -0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 3h01 h ASN 45 CO -0.05 0.60 -0.23 0.40 -1.65 0.00 0.00 177.43 176.51 3h01 h ILE 46 N 0.61 1.30 -0.53 2.81 2.04 -0.69 -1.44 117.51 121.61 3h01 h ILE 46 Ca 0.16 -1.37 0.04 0.00 1.00 0.00 0.00 64.86 64.68 3h01 h ILE 46 Cb 0.16 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3h01 h ILE 46 CO -0.02 0.44 0.29 0.74 0.00 0.00 0.00 178.15 179.60 3h01 h THR 47 N 0.46 0.99 -0.52 -0.27 2.02 -0.98 -0.13 112.91 114.47 3h01 h THR 47 Ca 0.06 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3h01 h THR 47 Cb 0.78 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3h01 h THR 47 CO 0.06 0.10 0.33 -1.13 0.37 0.00 0.00 175.52 175.26 3h01 h ASN 48 N 0.56 0.61 -0.48 4.18 -0.73 -0.99 -0.02 115.58 118.71 3h01 h ASN 48 Ca 0.23 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 3h01 h ASN 48 Cb 0.10 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.51 3h01 h ASN 48 CO -0.14 0.46 0.18 -0.25 -0.37 0.00 0.00 177.43 177.31 3h01 h TRP 49 N 0.71 0.75 -0.58 0.67 7.01 -0.84 -1.83 115.95 121.83 3h01 h TRP 49 Ca 0.19 -0.06 -0.08 0.00 2.11 0.00 0.00 58.89 61.05 3h01 h TRP 49 Cb -0.05 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 26.76 3h01 h TRP 49 CO -0.03 0.64 0.04 -0.07 -2.79 0.00 0.00 178.44 176.23 3h01 h LEU 50 N 0.64 0.93 -1.30 0.65 3.38 -0.80 -0.77 115.31 118.04 3h01 h LEU 50 Ca 0.16 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3h01 h LEU 50 Cb 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3h01 h LEU 50 CO -0.01 0.97 0.42 -0.25 0.09 0.00 0.00 178.44 179.66 3h01 h TRP 51 N 0.90 0.86 0.00 1.13 2.91 -0.77 -1.90 115.95 119.07 3h01 h TRP 51 Ca 0.17 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.12 3h01 h TRP 51 Cb 0.47 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 3h01 h TRP 51 CO 0.03 0.56 -0.47 1.88 -1.03 0.00 0.00 178.44 179.41 3h01 h TYR 52 N 0.91 0.00 -0.02 2.65 0.05 -0.43 -3.23 116.97 116.91 3h01 h TYR 52 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 3h01 h TYR 52 Cb -0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.67 3h01 h TYR 52 CO 0.00 0.38 -0.17 0.44 -1.05 0.00 0.00 178.16 177.76 3h01 n ILE 53 N -3.15 0.00 0.00 -2.88 -5.35 -0.39 -5.10 119.36 102.48 3h01 n ILE 53 Ca 0.02 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3h01 n ILE 53 Cb 0.69 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.68 3h01 n ILE 53 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08