#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq5 n SER 2 N 0.00 -0.63 0.18 1.61 7.64 -1.26 -5.09 113.62 116.07 1aq5 n SER 2 Ca 0.00 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1aq5 n SER 2 Cb 0.00 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 1aq5 n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1aq5 n HIS 3 N -3.33 -4.20 -1.52 1.43 -0.00 -1.26 -5.08 115.22 101.26 1aq5 n HIS 3 Ca 0.00 1.26 -0.53 0.00 -0.00 0.00 0.00 57.72 58.45 1aq5 n HIS 3 Cb 0.00 3.24 -0.07 0.00 -0.00 0.00 0.00 29.99 33.16 1aq5 n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1aq5 n MET 4 N -3.29 1.09 -0.34 1.57 1.56 -1.26 -4.92 117.12 111.53 1aq5 n MET 4 Ca 0.00 0.34 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 1aq5 n MET 4 Cb 0.00 -2.30 0.00 0.00 2.15 0.00 0.00 33.22 33.07 1aq5 n MET 4 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1aq5 n GLU 5 N 7.29 2.75 -2.06 2.12 0.28 -1.26 -4.96 120.64 124.79 1aq5 n GLU 5 Ca 0.37 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 57.10 1aq5 n GLU 5 Cb 0.18 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.00 1aq5 n GLU 5 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1aq5 s GLU 6 N 1.27 2.52 -0.02 3.44 -1.05 -1.26 -4.43 118.70 119.17 1aq5 s GLU 6 Ca 0.00 -0.80 -0.00 0.00 -0.15 0.00 0.00 54.97 54.02 1aq5 s GLU 6 Cb 0.00 -5.17 0.00 0.00 -0.44 0.00 0.00 34.13 28.52 1aq5 s GLU 6 CO 0.00 -3.73 0.00 -3.47 0.95 0.00 0.00 175.26 169.01 1aq5 n ASP 7 N 14.23 -6.71 0.09 0.83 2.03 -1.26 -4.92 116.55 120.85 1aq5 n ASP 7 Ca 0.43 0.52 -0.05 0.00 0.52 0.00 0.00 54.79 56.21 1aq5 n ASP 7 Cb 0.47 -1.81 -0.02 0.00 -0.72 0.00 0.00 41.12 39.04 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 3.70 -0.30 -1.52 -0.67 0.13 -1.99 -3.39 132.00 127.96 1aq5 h PRO 8 Ca -0.00 0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.55 1aq5 h PRO 8 Cb 0.86 0.07 -0.41 0.00 0.13 0.00 0.00 31.00 31.64 1aq5 h PRO 8 CO 0.01 -0.20 -0.65 0.00 -0.23 0.00 0.00 178.00 176.93 1aq5 n GLU 10 N -0.49 -1.80 -0.32 0.00 1.02 -1.26 -4.69 120.64 113.09 1aq5 n GLU 10 Ca 0.40 0.23 0.36 0.00 -0.02 0.00 0.00 57.16 58.13 1aq5 n GLU 10 Cb 0.65 -4.68 0.67 0.00 -0.02 0.00 0.00 31.44 28.06 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 -3.74 4.34 0.07 0.00 4.01 -1.26 -4.54 118.16 117.03 1aq5 n LYS 12 Ca 0.27 -0.06 -0.06 0.00 -0.51 0.00 0.00 58.31 57.95 1aq5 n LYS 12 Cb 1.44 -0.46 -0.10 0.00 -0.51 0.00 0.00 35.03 35.40 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 0.00 0.43 4.39 0.02 -1.26 -0.40 113.55 116.73 1aq5 h SER 13 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1aq5 h SER 13 Cb 0.02 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.57 1aq5 h SER 13 CO 0.00 0.93 -1.47 0.40 -1.14 0.00 0.00 176.83 175.56 1aq5 h ILE 14 N 0.00 1.25 0.00 3.27 2.04 -1.62 -2.63 117.51 119.82 1aq5 h ILE 14 Ca -0.02 -2.82 0.00 0.00 1.00 0.00 0.00 64.86 63.02 1aq5 h ILE 14 Cb 1.73 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.69 1aq5 h ILE 14 CO 0.12 0.84 -0.14 0.58 0.00 0.00 0.00 178.15 179.55 1aq5 h VAL 15 N 0.09 0.00 -0.10 1.67 2.07 -1.77 -2.31 116.25 115.91 1aq5 h VAL 15 Ca -0.23 -0.87 -0.15 0.00 0.82 0.00 0.00 66.70 66.27 1aq5 h VAL 15 Cb 2.05 1.80 0.01 0.00 -1.52 0.00 0.00 31.29 33.62 1aq5 h VAL 15 CO 0.20 0.00 -0.51 0.50 0.02 0.00 0.00 177.57 177.79 1aq5 h LYS 16 N 0.00 0.52 -0.09 1.57 3.11 -1.08 -2.70 116.57 117.90 1aq5 h LYS 16 Ca 0.00 -0.43 -0.08 0.00 -2.81 0.00 0.00 60.65 57.33 1aq5 h LYS 16 Cb 0.94 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.24 1aq5 h LYS 16 CO 0.00 1.05 -0.31 0.35 -2.81 0.00 0.00 179.45 177.73 1aq5 h PHE 17 N 0.12 0.18 -0.14 1.91 3.04 -1.42 -2.86 116.94 117.77 1aq5 h PHE 17 Ca -0.03 -0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.90 1aq5 h PHE 17 Cb 1.15 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.60 1aq5 h PHE 17 CO 0.11 0.46 0.01 1.96 -2.02 0.00 0.00 178.31 178.84 1aq5 h GLN 18 N 0.14 0.06 -0.79 1.11 4.20 -1.19 -1.08 115.11 117.56 1aq5 h GLN 18 Ca 0.02 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.80 1aq5 h GLN 18 Cb 0.63 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 1aq5 h GLN 18 CO 0.05 0.04 0.51 1.15 -0.67 0.00 0.00 178.83 179.91 1aq5 h THR 19 N 0.06 1.01 -0.30 -0.54 2.02 -1.26 0.30 112.91 114.18 1aq5 h THR 19 Ca 0.06 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1aq5 h THR 19 Cb 0.07 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1aq5 h THR 19 CO -0.10 0.15 0.03 0.50 0.37 0.00 0.00 175.52 176.47 1aq5 h LYS 20 N 0.80 0.45 0.00 6.66 1.63 -1.11 -0.28 116.57 124.72 1aq5 h LYS 20 Ca 0.35 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 1aq5 h LYS 20 Cb 0.31 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1aq5 h LYS 20 CO -0.13 0.45 -0.05 0.28 -3.45 0.00 0.00 179.45 176.56 1aq5 h VAL 21 N 0.44 0.09 -0.10 2.00 2.07 0.61 -2.63 116.25 118.73 1aq5 h VAL 21 Ca 0.10 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1aq5 h VAL 21 Cb 0.25 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1aq5 h VAL 21 CO 0.00 0.05 -0.28 -0.33 0.02 0.00 0.00 177.57 177.04 1aq5 h GLU 22 N 0.00 0.36 -0.20 1.57 5.08 0.91 -1.58 114.58 120.72 1aq5 h GLU 22 Ca -0.00 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 57.91 1aq5 h GLU 22 Cb 0.97 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1aq5 h GLU 22 CO 0.01 0.87 -0.64 0.93 -1.00 0.00 0.00 179.01 179.18 1aq5 h GLU 23 N -0.09 0.74 -0.46 2.33 5.08 -1.46 -2.77 114.58 117.94 1aq5 h GLU 23 Ca -0.01 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.80 1aq5 h GLU 23 Cb 0.89 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1aq5 h GLU 23 CO 0.06 1.14 0.16 1.25 -1.00 0.00 0.00 179.01 180.63 1aq5 h LEU 24 N 0.54 0.66 -0.94 1.33 5.85 -1.51 -2.20 115.31 119.04 1aq5 h LEU 24 Ca -0.01 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1aq5 h LEU 24 Cb 1.24 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1aq5 h LEU 24 CO 0.13 0.67 0.61 0.40 -0.34 0.00 0.00 178.44 179.91 1aq5 h ILE 25 N 0.61 1.25 -0.78 4.05 5.03 -1.27 -1.85 117.51 124.55 1aq5 h ILE 25 Ca 0.15 -0.47 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 1aq5 h ILE 25 Cb 0.23 -0.12 -0.04 0.00 -3.03 0.00 0.00 36.82 33.86 1aq5 h ILE 25 CO -0.01 0.24 0.50 -1.13 -0.68 0.00 0.00 178.15 177.07 1aq5 h ASN 26 N 1.28 0.91 -0.34 1.72 -1.24 -1.17 -1.42 115.58 115.32 1aq5 h ASN 26 Ca 0.34 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.29 1aq5 h ASN 26 Cb -0.12 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.68 1aq5 h ASN 26 CO -0.07 0.68 0.15 0.74 -1.29 0.00 0.00 177.43 177.64 1aq5 h THR 27 N 1.06 1.15 -0.24 -3.57 2.02 -0.75 -0.61 112.91 111.97 1aq5 h THR 27 Ca 0.28 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 1aq5 h THR 27 Cb -0.09 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1aq5 h THR 27 CO -0.06 0.18 -0.17 -0.07 0.37 0.00 0.00 175.52 175.77 1aq5 h LEU 28 N 0.55 0.56 -0.29 2.58 3.38 -0.58 -1.63 115.31 119.87 1aq5 h LEU 28 Ca 0.14 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1aq5 h LEU 28 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1aq5 h LEU 28 CO -0.01 0.89 0.00 1.67 0.09 0.00 0.00 178.44 181.07 1aq5 n GLN 29 N -4.44 0.08 -0.08 1.13 7.27 -0.68 -1.72 117.38 118.94 1aq5 n GLN 29 Ca -0.04 0.33 -0.15 0.00 0.07 0.00 0.00 57.00 57.20 1aq5 n GLN 29 Cb 0.39 -1.65 -0.11 0.00 2.41 0.00 0.00 30.24 31.28 1aq5 n GLN 29 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1aq5 h GLN 30 N 0.00 0.00 0.00 3.69 1.08 -0.49 -2.63 115.11 116.77 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 0.28 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1aq5 h GLN 30 CO 0.00 0.85 -0.02 0.87 -0.95 0.00 0.00 178.83 179.58 1aq5 h LYS 31 N -1.00 0.00 0.03 1.46 1.57 -1.18 -1.95 116.57 115.50 1aq5 h LYS 31 Ca -0.13 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1aq5 h LYS 31 Cb 1.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.32 1aq5 h LYS 31 CO -0.08 0.02 -0.33 1.25 -0.57 0.00 0.00 179.45 179.74 1aq5 h LEU 32 N 0.00 0.24 -1.41 2.94 5.85 -1.42 -0.26 115.31 121.25 1aq5 h LEU 32 Ca -0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 1aq5 h LEU 32 Cb 0.33 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1aq5 h LEU 32 CO 0.00 1.08 0.00 -0.08 -0.34 0.00 0.00 178.44 179.10 1aq5 h GLU 33 N -0.58 0.00 0.03 1.25 4.81 -1.15 -1.43 114.58 117.51 1aq5 h GLU 33 Ca -0.05 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.87 1aq5 h GLU 33 Cb 1.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1aq5 h GLU 33 CO 0.06 0.00 -1.78 0.00 -0.73 0.00 0.00 179.01 176.56 1aq5 n ALA 34 N -1.95 1.33 -0.18 2.92 0.00 -0.76 -3.30 120.51 118.56 1aq5 n ALA 34 Ca 0.00 -0.72 -0.06 0.00 0.00 0.00 0.00 53.44 52.67 1aq5 n ALA 34 Cb 0.22 -0.81 0.10 0.00 0.00 0.00 0.00 19.45 18.97 1aq5 n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aq5 h VAL 35 N 0.02 1.25 0.00 0.00 2.07 -0.29 -1.41 116.25 117.89 1aq5 h VAL 35 Ca -0.32 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 1aq5 h VAL 35 Cb 2.02 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1aq5 h VAL 35 CO 0.08 0.36 -0.30 0.00 0.02 0.00 0.00 177.57 177.74 1aq5 h ALA 36 N 1.17 1.32 -0.01 1.67 0.00 -1.39 -1.26 119.26 120.76 1aq5 h ALA 36 Ca 0.19 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1aq5 h ALA 36 Cb 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1aq5 h ALA 36 CO 0.01 0.37 -0.72 0.87 0.00 0.00 0.00 179.25 179.79 1aq5 h LYS 37 N 0.00 0.08 0.03 0.00 1.57 -1.28 -2.52 116.57 114.45 1aq5 h LYS 37 Ca -0.00 -0.07 -0.28 0.00 -1.87 0.00 0.00 60.65 58.43 1aq5 h LYS 37 Cb 0.60 0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.95 1aq5 h LYS 37 CO 0.04 0.76 -1.09 0.00 -0.57 0.00 0.00 179.45 178.59 1aq5 h ARG 38 N 0.05 0.68 -0.89 3.15 2.47 -0.76 -2.19 114.38 116.90 1aq5 h ARG 38 Ca -0.01 -0.78 0.05 0.00 -1.26 0.00 0.00 59.98 57.98 1aq5 h ARG 38 Cb 1.27 0.23 -0.06 0.00 -1.65 0.00 0.00 29.97 29.76 1aq5 h ARG 38 CO 0.10 1.34 0.57 0.82 0.56 0.00 0.00 179.97 183.36 1aq5 h ILE 39 N 0.37 1.10 -0.26 2.04 1.08 -1.21 0.32 117.51 120.96 1aq5 h ILE 39 Ca -0.14 -0.37 -0.10 0.00 -0.39 0.00 0.00 64.86 63.85 1aq5 h ILE 39 Cb 1.75 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 1aq5 h ILE 39 CO 0.21 0.20 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.27 1aq5 h GLU 40 N 1.08 0.51 -0.46 2.37 4.39 -1.42 -0.86 114.58 120.19 1aq5 h GLU 40 Ca 0.37 -0.20 0.09 0.00 0.34 0.00 0.00 59.36 59.96 1aq5 h GLU 40 Cb 0.08 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1aq5 h GLU 40 CO -0.14 0.73 0.32 0.00 -1.16 0.00 0.00 179.01 178.76 1aq5 h ALA 41 N 1.27 2.13 0.05 3.43 0.00 -0.29 0.17 119.26 126.03 1aq5 h ALA 41 Ca 0.06 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 1aq5 h ALA 41 Cb 0.70 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1aq5 h ALA 41 CO 0.05 -0.24 -1.21 -0.07 0.00 0.00 0.00 179.25 177.78 1aq5 h LEU 42 N 0.23 0.18 -1.96 0.00 -0.00 -0.55 -3.19 115.31 110.02 1aq5 h LEU 42 Ca 0.21 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1aq5 h LEU 42 Cb 0.55 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1aq5 h LEU 42 CO -0.04 1.17 0.00 -0.33 -0.00 0.00 0.00 178.44 179.24 1aq5 h GLU 43 N 0.03 0.00 0.00 1.13 5.08 0.62 0.77 114.58 122.21 1aq5 h GLU 43 Ca -0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1aq5 h GLU 43 Cb 1.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.14 1aq5 h GLU 43 CO 0.15 0.00 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.25 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 4.21 -1.16 0.76 115.58 120.81 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 0.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1aq5 h ASN 44 CO 0.00 0.00 -1.15 0.29 -1.29 0.00 0.00 177.43 175.28 1aq5 n LYS 45 N -3.09 1.09 0.00 0.81 4.01 -0.50 -4.57 118.16 115.90 1aq5 n LYS 45 Ca 0.02 -0.06 0.07 0.00 -0.51 0.00 0.00 58.31 57.83 1aq5 n LYS 45 Cb 0.37 -1.12 -0.08 0.00 -0.51 0.00 0.00 35.03 33.69 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 -1.65 0.00 0.00 -0.18 2.08 0.15 -5.14 119.36 114.62 1aq5 n ILE 46 Ca -0.01 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.14 1aq5 n ILE 46 Cb 0.18 1.01 0.00 0.00 -0.75 0.00 0.00 39.64 40.09 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11