#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq5 s SER 2 N 0.00 5.94 0.12 1.61 0.01 -1.26 -4.90 113.70 115.22 1aq5 s SER 2 Ca 0.00 -1.47 -0.07 0.00 1.31 0.00 0.00 55.95 55.72 1aq5 s SER 2 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1aq5 s SER 2 CO 0.00 -2.06 0.18 -2.28 0.41 0.00 0.00 173.24 169.49 1aq5 s HIS 3 N 7.30 0.42 0.14 2.43 5.65 -1.26 -5.11 115.29 124.86 1aq5 s HIS 3 Ca 0.58 -0.83 -0.34 0.00 0.25 0.00 0.00 55.06 54.73 1aq5 s HIS 3 Cb -0.01 -0.17 -0.13 0.00 -1.18 0.00 0.00 32.58 31.08 1aq5 s HIS 3 CO 0.00 -0.60 1.62 -0.12 -0.65 0.00 0.00 174.74 175.00 1aq5 n MET 4 N -0.11 2.20 -1.52 2.88 0.00 -1.26 -4.97 117.12 114.33 1aq5 n MET 4 Ca -0.10 0.79 0.00 0.00 -0.00 0.00 0.00 57.70 58.39 1aq5 n MET 4 Cb 0.63 -2.58 0.00 0.00 0.00 0.00 0.00 33.22 31.27 1aq5 n MET 4 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1aq5 n GLU 5 N 3.83 1.70 -3.12 2.12 0.28 -1.26 -5.15 120.64 119.05 1aq5 n GLU 5 Ca 0.18 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.23 1aq5 n GLU 5 Cb 0.29 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.16 1aq5 n GLU 5 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1aq5 s GLU 6 N -1.29 0.13 -0.69 3.44 0.41 -1.26 -5.09 118.70 114.35 1aq5 s GLU 6 Ca 0.00 0.11 -0.36 0.00 -0.41 0.00 0.00 54.97 54.31 1aq5 s GLU 6 Cb 0.00 0.05 -0.18 0.00 -1.78 0.00 0.00 34.13 32.22 1aq5 s GLU 6 CO 0.00 -0.24 2.41 -3.47 -0.49 0.00 0.00 175.26 173.47 1aq5 n ASP 7 N 4.97 0.84 0.14 -0.19 2.03 -1.26 -4.80 116.55 118.28 1aq5 n ASP 7 Ca 0.09 0.35 -0.06 0.00 0.52 0.00 0.00 54.79 55.69 1aq5 n ASP 7 Cb 0.58 -1.00 -0.03 0.00 -0.72 0.00 0.00 41.12 39.95 1aq5 n ASP 7 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1aq5 h PRO 8 N 11.47 -0.40 -2.14 -0.67 0.13 -2.02 -3.41 132.00 134.96 1aq5 h PRO 8 Ca -0.11 0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.46 1aq5 h PRO 8 Cb 1.35 0.09 -0.41 0.00 0.13 0.00 0.00 31.00 32.16 1aq5 h PRO 8 CO 1.21 -0.26 -0.73 0.00 -0.23 0.00 0.00 178.00 177.99 1aq5 n GLU 10 N 0.96 -0.78 -0.43 0.00 1.02 -1.26 -4.68 120.64 115.46 1aq5 n GLU 10 Ca 0.28 0.12 0.40 0.00 -0.02 0.00 0.00 57.16 57.95 1aq5 n GLU 10 Cb 0.44 -4.36 0.73 0.00 -0.02 0.00 0.00 31.44 28.23 1aq5 n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aq5 n LYS 12 N -3.89 4.06 0.06 0.00 4.01 -1.26 -4.55 118.16 116.60 1aq5 n LYS 12 Ca 0.32 -0.08 -0.10 0.00 -0.51 0.00 0.00 58.31 57.94 1aq5 n LYS 12 Cb 1.56 -0.49 -0.13 0.00 -0.51 0.00 0.00 35.03 35.46 1aq5 n LYS 12 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1aq5 h SER 13 N 0.00 0.12 0.23 4.39 0.02 -1.31 -0.76 113.55 116.24 1aq5 h SER 13 Ca 0.00 -0.13 -0.31 0.00 -0.84 0.00 0.00 61.79 60.51 1aq5 h SER 13 Cb 0.02 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 62.56 1aq5 h SER 13 CO 0.00 1.10 -1.37 0.40 -1.14 0.00 0.00 176.83 175.83 1aq5 h ILE 14 N 0.02 1.30 0.00 3.27 2.04 -1.65 -2.50 117.51 119.99 1aq5 h ILE 14 Ca -0.07 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.14 1aq5 h ILE 14 Cb 1.85 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 40.99 1aq5 h ILE 14 CO 0.15 0.79 0.00 0.58 0.00 0.00 0.00 178.15 179.67 1aq5 h VAL 15 N 0.04 0.00 -0.12 1.67 2.07 -1.76 -2.21 116.25 115.93 1aq5 h VAL 15 Ca -0.24 -0.83 -0.21 0.00 0.82 0.00 0.00 66.70 66.24 1aq5 h VAL 15 Cb 2.06 1.82 0.01 0.00 -1.52 0.00 0.00 31.29 33.66 1aq5 h VAL 15 CO 0.25 0.00 -0.73 0.50 0.02 0.00 0.00 177.57 177.60 1aq5 h LYS 16 N 0.00 0.71 -0.05 1.57 1.63 -1.13 -2.69 116.57 116.61 1aq5 h LYS 16 Ca 0.00 -0.60 -0.07 0.00 -0.85 0.00 0.00 60.65 59.13 1aq5 h LYS 16 Cb 0.85 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.60 1aq5 h LYS 16 CO 0.00 1.21 -0.28 0.35 -3.45 0.00 0.00 179.45 177.28 1aq5 h PHE 17 N 0.40 0.09 0.06 1.91 3.04 -1.26 -2.85 116.94 118.34 1aq5 h PHE 17 Ca -0.06 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 1aq5 h PHE 17 Cb 1.37 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.86 1aq5 h PHE 17 CO 0.10 0.36 -0.03 1.96 -2.02 0.00 0.00 178.31 178.68 1aq5 h GLN 18 N 0.08 -0.08 -0.64 1.11 4.20 -1.09 -1.78 115.11 116.91 1aq5 h GLN 18 Ca 0.01 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.87 1aq5 h GLN 18 Cb 0.54 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1aq5 h GLN 18 CO 0.04 -0.02 0.44 0.00 -0.67 0.00 0.00 178.83 178.62 1aq5 h THR 19 N -0.13 0.78 -0.47 -0.54 1.03 -1.26 0.31 112.91 112.65 1aq5 h THR 19 Ca -0.01 -0.08 -0.09 0.00 -0.01 0.00 0.00 66.41 66.22 1aq5 h THR 19 Cb 0.10 0.52 -0.02 0.00 -1.07 0.00 0.00 68.15 67.69 1aq5 h THR 19 CO 0.01 0.04 -0.07 0.11 -0.01 0.00 0.00 175.52 175.61 1aq5 h LYS 20 N 0.24 0.82 0.00 0.00 1.57 -1.24 -1.20 116.57 116.75 1aq5 h LYS 20 Ca 0.31 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1aq5 h LYS 20 Cb 0.87 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1aq5 h LYS 20 CO -0.06 0.87 0.00 0.28 -0.57 0.00 0.00 179.45 179.97 1aq5 h VAL 21 N 0.75 0.00 0.01 0.50 2.07 0.12 -2.44 116.25 117.26 1aq5 h VAL 21 Ca 0.13 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 66.97 1aq5 h VAL 21 Cb 0.56 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1aq5 h VAL 21 CO 0.03 0.00 -0.50 -0.33 0.02 0.00 0.00 177.57 176.80 1aq5 h GLU 22 N 0.00 0.31 -0.09 1.57 4.39 0.06 -1.61 114.58 119.22 1aq5 h GLU 22 Ca 0.00 -0.36 -0.15 0.00 0.34 0.00 0.00 59.36 59.19 1aq5 h GLU 22 Cb 0.64 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1aq5 h GLU 22 CO 0.00 1.06 -0.60 0.93 -1.16 0.00 0.00 179.01 179.24 1aq5 h GLU 23 N -0.28 0.30 -0.08 2.33 5.08 -1.38 -2.68 114.58 117.87 1aq5 h GLU 23 Ca -0.07 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1aq5 h GLU 23 Cb 1.24 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1aq5 h GLU 23 CO 0.10 0.81 -0.05 1.25 -1.00 0.00 0.00 179.01 180.11 1aq5 h LEU 24 N 0.22 0.19 -1.46 1.33 5.85 -1.50 -2.60 115.31 117.34 1aq5 h LEU 24 Ca -0.01 -0.44 0.10 0.00 0.84 0.00 0.00 57.88 58.37 1aq5 h LEU 24 Cb 1.11 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 1aq5 h LEU 24 CO 0.10 0.59 0.48 0.40 -0.34 0.00 0.00 178.44 179.67 1aq5 h ILE 25 N -0.21 0.91 -0.48 4.05 5.03 -1.27 -0.53 117.51 125.02 1aq5 h ILE 25 Ca 0.02 -0.20 -0.04 0.00 -0.12 0.00 0.00 64.86 64.52 1aq5 h ILE 25 Cb 0.53 0.27 -0.02 0.00 -3.03 0.00 0.00 36.82 34.56 1aq5 h ILE 25 CO 0.01 0.11 0.16 -1.13 -0.68 0.00 0.00 178.15 176.62 1aq5 h ASN 26 N 0.59 0.69 -0.04 1.72 -1.24 -1.27 -1.55 115.58 114.49 1aq5 h ASN 26 Ca 0.34 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 1aq5 h ASN 26 Cb 0.53 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1aq5 h ASN 26 CO -0.12 0.70 -0.03 0.74 -1.29 0.00 0.00 177.43 177.44 1aq5 h THR 27 N 0.64 1.10 -0.12 -3.57 2.02 -0.75 -0.61 112.91 111.62 1aq5 h THR 27 Ca 0.16 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 1aq5 h THR 27 Cb 0.25 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1aq5 h THR 27 CO -0.01 0.13 -0.29 -0.07 0.37 0.00 0.00 175.52 175.66 1aq5 h LEU 28 N 0.18 0.47 -0.45 2.58 3.38 -0.71 -1.77 115.31 118.98 1aq5 h LEU 28 Ca 0.04 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1aq5 h LEU 28 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1aq5 h LEU 28 CO 0.01 0.96 0.00 1.67 0.09 0.00 0.00 178.44 181.16 1aq5 n GLN 29 N -4.42 0.11 -0.07 1.13 -0.06 -0.64 -1.48 117.38 111.95 1aq5 n GLN 29 Ca -0.07 0.37 -0.12 0.00 -2.00 0.00 0.00 57.00 55.18 1aq5 n GLN 29 Cb 0.47 -1.73 -0.09 0.00 -4.06 0.00 0.00 30.24 24.83 1aq5 n GLN 29 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1aq5 h GLN 30 N 0.00 0.00 0.00 3.69 1.08 -0.75 -2.06 115.11 117.07 1aq5 h GLN 30 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aq5 h GLN 30 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1aq5 h GLN 30 CO 0.00 0.70 0.00 0.87 -0.95 0.00 0.00 178.83 179.45 1aq5 h LYS 31 N -1.00 0.00 0.05 1.46 1.57 -1.18 -1.45 116.57 116.02 1aq5 h LYS 31 Ca -0.07 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1aq5 h LYS 31 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1aq5 h LYS 31 CO -0.04 0.00 -0.75 1.25 -0.57 0.00 0.00 179.45 179.34 1aq5 h LEU 32 N 0.00 0.16 -1.62 2.94 5.85 -1.32 -0.12 115.31 121.20 1aq5 h LEU 32 Ca 0.00 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.88 1aq5 h LEU 32 Cb 0.31 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1aq5 h LEU 32 CO 0.00 1.32 0.00 -0.08 -0.34 0.00 0.00 178.44 179.34 1aq5 h GLU 33 N -0.74 0.00 0.07 1.25 4.57 -1.14 -1.26 114.58 117.33 1aq5 h GLU 33 Ca -0.17 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.68 1aq5 h GLU 33 Cb 1.35 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.91 1aq5 h GLU 33 CO -0.01 0.00 -1.82 0.00 -1.18 0.00 0.00 179.01 176.00 1aq5 h ALA 34 N 2.03 0.58 -0.51 2.92 0.00 -1.34 -3.18 119.26 119.76 1aq5 h ALA 34 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 54.91 53.47 1aq5 h ALA 34 Cb 0.40 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1aq5 h ALA 34 CO 0.00 1.43 0.17 0.28 0.00 0.00 0.00 179.25 181.13 1aq5 h VAL 35 N 0.04 1.20 0.00 0.00 2.07 -0.38 -0.49 116.25 118.70 1aq5 h VAL 35 Ca -0.34 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.40 1aq5 h VAL 35 Cb 2.02 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1aq5 h VAL 35 CO 0.09 0.26 -0.45 0.00 0.02 0.00 0.00 177.57 177.49 1aq5 h ALA 36 N 1.45 1.09 -0.03 1.67 0.00 -1.35 -1.47 119.26 120.62 1aq5 h ALA 36 Ca 0.17 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1aq5 h ALA 36 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1aq5 h ALA 36 CO -0.01 0.57 -0.69 0.87 0.00 0.00 0.00 179.25 179.99 1aq5 h LYS 37 N 0.00 0.16 -0.10 0.00 1.57 -1.13 -2.46 116.57 114.62 1aq5 h LYS 37 Ca -0.00 -0.13 -0.21 0.00 -1.87 0.00 0.00 60.65 58.43 1aq5 h LYS 37 Cb 0.89 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1aq5 h LYS 37 CO 0.06 0.79 -0.78 0.00 -0.57 0.00 0.00 179.45 178.95 1aq5 h ARG 38 N 0.11 0.70 -0.65 3.15 2.47 -0.83 -2.38 114.38 116.95 1aq5 h ARG 38 Ca -0.02 -0.62 0.08 0.00 -1.26 0.00 0.00 59.98 58.16 1aq5 h ARG 38 Cb 1.23 0.15 -0.06 0.00 -1.65 0.00 0.00 29.97 29.63 1aq5 h ARG 38 CO 0.10 1.23 0.32 0.82 0.56 0.00 0.00 179.97 183.00 1aq5 h ILE 39 N 0.38 0.89 -0.55 2.04 1.08 -1.20 0.30 117.51 120.44 1aq5 h ILE 39 Ca -0.07 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1aq5 h ILE 39 Cb 1.42 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 1aq5 h ILE 39 CO 0.16 0.11 0.28 -0.33 -0.69 0.00 0.00 178.15 177.67 1aq5 h GLU 40 N 0.58 0.76 -0.29 2.37 4.39 -1.37 0.60 114.58 121.61 1aq5 h GLU 40 Ca 0.31 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.97 1aq5 h GLU 40 Cb 0.28 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1aq5 h GLU 40 CO -0.23 0.58 0.20 0.00 -1.16 0.00 0.00 179.01 178.39 1aq5 h ALA 41 N 1.55 2.02 0.00 3.43 0.00 0.10 0.14 119.26 126.49 1aq5 h ALA 41 Ca 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1aq5 h ALA 41 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1aq5 h ALA 41 CO -0.03 -0.08 -0.80 -0.07 0.00 0.00 0.00 179.25 178.28 1aq5 h LEU 42 N 0.20 0.00 -0.68 0.00 -0.00 -0.17 -3.25 115.31 111.41 1aq5 h LEU 42 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1aq5 h LEU 42 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1aq5 h LEU 42 CO -0.02 0.12 0.00 -0.33 -0.00 0.00 0.00 178.44 178.21 1aq5 h GLU 43 N 0.00 0.00 0.00 1.13 5.08 0.12 0.22 114.58 121.13 1aq5 h GLU 43 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1aq5 h GLU 43 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1aq5 h GLU 43 CO 0.01 0.00 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.02 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 4.21 -1.32 0.66 115.58 120.55 1aq5 h ASN 44 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1aq5 h ASN 44 Cb 0.67 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 1aq5 h ASN 44 CO 0.00 0.09 -0.62 0.29 -1.29 0.00 0.00 177.43 175.90 1aq5 n LYS 45 N -3.15 3.40 -0.00 0.81 4.01 -0.98 -4.51 118.16 117.73 1aq5 n LYS 45 Ca 0.02 -0.02 0.08 0.00 -0.51 0.00 0.00 58.31 57.88 1aq5 n LYS 45 Cb 0.46 -0.94 -0.11 0.00 -0.51 0.00 0.00 35.03 33.94 1aq5 n LYS 45 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1aq5 n ILE 46 N -1.33 0.00 0.00 -0.18 2.08 0.75 -5.12 119.36 115.55 1aq5 n ILE 46 Ca 0.01 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.12 1aq5 n ILE 46 Cb 0.14 0.72 0.00 0.00 -0.75 0.00 0.00 39.64 39.75 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11