#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 4.63 -0.02 1.61 0.15 -1.26 -4.92 113.70 113.90 1aq5 s SER 2 Ca 0.00 1.17 0.02 0.00 0.70 0.00 0.00 55.95 57.83 1aq5 s SER 2 Cb 0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1aq5 s SER 2 CO 0.00 -2.72 -0.06 -1.00 1.20 0.00 0.00 173.24 170.66 1aq5 s HIS 3 N 11.46 0.69 0.00 3.44 0.09 -1.26 -5.15 115.29 124.55 1aq5 s HIS 3 Ca 0.96 -0.15 0.00 0.00 -0.00 0.00 0.00 55.06 55.87 1aq5 s HIS 3 Cb -0.19 -0.51 0.00 0.00 -0.00 0.00 0.00 32.58 31.88 1aq5 s HIS 3 CO 0.27 -0.07 0.00 -1.33 -0.00 0.00 0.00 174.74 173.61 1aq5 n MET 4 N 3.30 2.05 -1.33 1.40 2.81 -1.26 -5.01 117.12 119.09 1aq5 n MET 4 Ca -0.18 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.34 1aq5 n MET 4 Cb 0.55 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.11 1aq5 n MET 4 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1aq5 n GLU 5 N -0.06 0.35 -3.88 0.03 2.13 -1.26 -4.99 120.64 112.95 1aq5 n GLU 5 Ca 0.00 0.15 -0.17 0.00 0.66 0.00 0.00 57.16 57.79 1aq5 n GLU 5 Cb 0.00 -1.68 -0.16 0.00 0.27 0.00 0.00 31.44 29.87 1aq5 n GLU 5 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1aq5 s GLU 6 N -2.32 0.26 0.16 5.31 -1.05 -1.26 -5.11 118.70 114.69 1aq5 s GLU 6 Ca 0.65 0.11 -0.31 0.00 -0.15 0.00 0.00 54.97 55.27 1aq5 s GLU 6 Cb -0.39 -0.50 -0.17 0.00 -0.44 0.00 0.00 34.13 32.62 1aq5 s GLU 6 CO 0.58 -0.17 0.75 -3.47 0.95 0.00 0.00 175.26 173.91 1aq5 n ASP 7 N 4.32 -0.51 0.14 0.83 -0.08 -1.26 -4.89 116.55 115.10 1aq5 n ASP 7 Ca -0.23 1.14 -0.07 0.00 -1.51 0.00 0.00 54.79 54.12 1aq5 n ASP 7 Cb 0.50 -0.99 -0.04 0.00 2.34 0.00 0.00 41.12 42.93 1aq5 n ASP 7 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1aq5 h PRO 8 N 1.79 -0.42 -0.62 -0.67 0.13 -2.05 -3.39 132.00 126.77 1aq5 h PRO 8 Ca -0.36 0.03 -0.44 0.00 -0.87 0.00 0.00 66.00 64.36 1aq5 h PRO 8 Cb 1.42 0.10 -0.40 0.00 0.13 0.00 0.00 31.00 32.25 1aq5 h PRO 8 CO 0.60 -0.26 -0.88 0.00 -0.23 0.00 0.00 178.00 177.24 1aq5 n GLU 10 N -0.68 -1.15 -0.12 0.00 1.02 -1.26 -4.73 120.64 113.72 1aq5 n GLU 10 Ca 0.33 0.12 0.26 0.00 -0.02 0.00 0.00 57.16 57.85 1aq5 n GLU 10 Cb 0.92 -3.63 0.72 0.00 -0.02 0.00 0.00 31.44 29.43 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 -4.20 6.85 0.07 0.00 4.01 -1.26 -4.46 118.16 119.16 1aq5 n LYS 12 Ca 0.16 -0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.90 1aq5 n LYS 12 Cb 0.87 -0.52 -0.09 0.00 -0.51 0.00 0.00 35.03 34.78 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 0.46 4.39 0.02 -1.68 -0.67 113.55 116.07 1aq5 h SER 13 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1aq5 h SER 13 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1aq5 h SER 13 CO 0.00 0.90 -1.46 0.40 -1.14 0.00 0.00 176.83 175.53 1aq5 h ILE 14 N 0.00 1.25 0.00 3.27 2.04 -1.59 -2.56 117.51 119.93 1aq5 h ILE 14 Ca -0.03 -2.84 -0.03 0.00 1.00 0.00 0.00 64.86 62.95 1aq5 h ILE 14 Cb 1.72 2.85 -0.00 0.00 -0.74 0.00 0.00 36.82 40.64 1aq5 h ILE 14 CO 0.11 0.84 -0.31 0.58 0.00 0.00 0.00 178.15 179.38 1aq5 h VAL 15 N 0.08 0.23 -0.13 1.67 2.07 -1.77 -2.31 116.25 116.09 1aq5 h VAL 15 Ca -0.22 -1.34 -0.16 0.00 0.82 0.00 0.00 66.70 65.79 1aq5 h VAL 15 Cb 2.03 2.05 0.01 0.00 -1.52 0.00 0.00 31.29 33.85 1aq5 h VAL 15 CO 0.19 0.13 -0.55 0.50 0.02 0.00 0.00 177.57 177.86 1aq5 h LYS 16 N 0.00 0.61 -0.12 1.57 3.11 -1.15 -2.68 116.57 117.92 1aq5 h LYS 16 Ca -0.01 -0.48 -0.06 0.00 -2.81 0.00 0.00 60.65 57.29 1aq5 h LYS 16 Cb 1.12 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.43 1aq5 h LYS 16 CO 0.02 1.10 -0.22 0.35 -2.81 0.00 0.00 179.45 177.89 1aq5 h PHE 17 N 0.26 0.21 -0.46 1.91 3.04 -1.42 -2.57 116.94 117.92 1aq5 h PHE 17 Ca -0.03 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.90 1aq5 h PHE 17 Cb 1.19 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.61 1aq5 h PHE 17 CO 0.10 0.41 0.28 1.96 -2.02 0.00 0.00 178.31 179.05 1aq5 h GLN 18 N 0.18 0.55 -0.36 1.11 4.20 -1.11 -1.26 115.11 118.43 1aq5 h GLN 18 Ca 0.03 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1aq5 h GLN 18 Cb 0.50 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1aq5 h GLN 18 CO 0.03 0.36 0.24 1.15 -0.67 0.00 0.00 178.83 179.95 1aq5 h THR 19 N 0.57 1.06 -0.11 -0.54 2.02 -1.14 0.42 112.91 115.18 1aq5 h THR 19 Ca 0.18 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 1aq5 h THR 19 Cb -0.00 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1aq5 h THR 19 CO -0.07 0.08 -0.28 0.07 0.37 0.00 0.00 175.52 175.68 1aq5 h LYS 20 N 0.43 0.21 0.00 6.66 5.09 -1.14 -1.20 116.57 126.61 1aq5 h LYS 20 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.81 1aq5 h LYS 20 Cb 0.03 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.35 1aq5 h LYS 20 CO -0.03 0.48 0.00 0.28 -2.09 0.00 0.00 179.45 178.09 1aq5 h VAL 21 N 0.19 0.00 -0.04 0.07 2.07 -0.44 -2.58 116.25 115.51 1aq5 h VAL 21 Ca 0.03 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 1aq5 h VAL 21 Cb 0.60 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1aq5 h VAL 21 CO 0.04 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.13 1aq5 h GLU 22 N 0.00 0.19 -0.19 1.57 4.39 0.05 -1.55 114.58 119.04 1aq5 h GLU 22 Ca 0.00 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.40 1aq5 h GLU 22 Cb 0.91 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1aq5 h GLU 22 CO 0.00 0.79 -0.51 0.93 -1.16 0.00 0.00 179.01 179.06 1aq5 h GLU 23 N -0.37 0.54 -0.16 2.33 5.08 -1.49 -2.63 114.58 117.88 1aq5 h GLU 23 Ca -0.01 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1aq5 h GLU 23 Cb 0.82 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1aq5 h GLU 23 CO 0.04 0.92 0.01 1.25 -1.00 0.00 0.00 179.01 180.23 1aq5 h LEU 24 N 0.42 0.26 -1.26 1.33 5.85 -1.50 -2.04 115.31 118.37 1aq5 h LEU 24 Ca 0.02 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1aq5 h LEU 24 Cb 1.04 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1aq5 h LEU 24 CO 0.10 0.48 0.52 0.40 -0.34 0.00 0.00 178.44 179.60 1aq5 h ILE 25 N 0.03 1.09 -0.36 4.05 5.03 -1.25 -1.28 117.51 124.81 1aq5 h ILE 25 Ca 0.05 -0.32 -0.03 0.00 -0.12 0.00 0.00 64.86 64.44 1aq5 h ILE 25 Cb 0.34 0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 34.19 1aq5 h ILE 25 CO 0.01 0.17 0.10 -1.13 -0.68 0.00 0.00 178.15 176.62 1aq5 h ASN 26 N 0.93 0.52 -0.01 1.72 -1.24 -1.20 -1.64 115.58 114.67 1aq5 h ASN 26 Ca 0.33 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 1aq5 h ASN 26 Cb 0.13 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 1aq5 h ASN 26 CO -0.11 0.60 -0.02 0.74 -1.29 0.00 0.00 177.43 177.36 1aq5 h THR 27 N 0.42 1.06 -0.18 -3.57 2.02 -0.61 -0.59 112.91 111.47 1aq5 h THR 27 Ca 0.11 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 1aq5 h THR 27 Cb 0.27 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1aq5 h THR 27 CO -0.00 0.08 -0.34 -0.07 0.37 0.00 0.00 175.52 175.55 1aq5 h LEU 28 N 0.10 0.61 -0.17 2.58 3.38 -0.64 -1.72 115.31 119.44 1aq5 h LEU 28 Ca 0.02 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1aq5 h LEU 28 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1aq5 h LEU 28 CO 0.00 1.04 0.00 1.67 0.09 0.00 0.00 178.44 181.25 1aq5 n GLN 29 N -4.32 0.06 -0.08 1.13 7.27 -0.67 -1.82 117.38 118.95 1aq5 n GLN 29 Ca -0.06 0.27 -0.13 0.00 0.07 0.00 0.00 57.00 57.15 1aq5 n GLN 29 Cb 0.50 -1.60 -0.09 0.00 2.41 0.00 0.00 30.24 31.46 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 -0.68 -2.72 115.11 116.49 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 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1aq5 h GLN 30 CO 0.00 0.73 0.00 0.87 -0.95 0.00 0.00 178.83 179.48 1aq5 h LYS 31 N -1.00 0.00 0.01 1.46 1.57 -1.23 -2.14 116.57 115.24 1aq5 h LYS 31 Ca -0.11 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1aq5 h LYS 31 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1aq5 h LYS 31 CO -0.07 0.00 -0.17 1.25 -0.57 0.00 0.00 179.45 179.90 1aq5 h LEU 32 N 0.00 0.12 -2.12 2.94 5.85 -1.44 -0.86 115.31 119.81 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 0.25 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1aq5 h LEU 32 CO 0.00 0.98 0.00 -0.33 -0.34 0.00 0.00 178.44 178.75 1aq5 h GLU 33 N -0.72 0.00 0.02 1.25 4.39 -1.13 -1.29 114.58 117.10 1aq5 h GLU 33 Ca -0.02 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.39 1aq5 h GLU 33 Cb 1.02 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 1aq5 h GLU 33 CO 0.03 0.00 -1.58 0.00 -1.16 0.00 0.00 179.01 176.30 1aq5 h ALA 34 N 2.01 0.61 -0.60 3.43 0.00 -1.38 -3.04 119.26 120.29 1aq5 h ALA 34 Ca 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 54.91 53.50 1aq5 h ALA 34 Cb 0.26 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1aq5 h ALA 34 CO 0.00 1.45 0.01 0.28 0.00 0.00 0.00 179.25 180.99 1aq5 h VAL 35 N 0.01 1.27 0.00 0.00 2.07 -0.07 -1.09 116.25 118.45 1aq5 h VAL 35 Ca -0.24 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.06 1aq5 h VAL 35 Cb 1.97 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1aq5 h VAL 35 CO 0.10 0.41 -0.40 0.00 0.02 0.00 0.00 177.57 177.70 1aq5 h ALA 36 N 0.99 1.16 0.00 1.67 0.00 -1.41 -1.24 119.26 120.43 1aq5 h ALA 36 Ca 0.17 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1aq5 h ALA 36 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1aq5 h ALA 36 CO 0.03 0.50 -0.49 -0.22 0.00 0.00 0.00 179.25 179.07 1aq5 h LYS 37 N 0.00 0.00 0.10 0.00 3.64 -1.26 -2.30 116.57 116.75 1aq5 h LYS 37 Ca -0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1aq5 h LYS 37 Cb 0.79 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1aq5 h LYS 37 CO 0.05 0.49 -1.24 0.00 -2.27 0.00 0.00 179.45 176.48 1aq5 h ARG 38 N 0.00 0.21 -0.30 1.90 2.47 -0.64 -2.72 114.38 115.29 1aq5 h ARG 38 Ca -0.00 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.35 1aq5 h ARG 38 Cb 1.07 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 1aq5 h ARG 38 CO 0.06 1.14 0.15 0.82 0.56 0.00 0.00 179.97 182.70 1aq5 h ILE 39 N 0.06 1.15 -0.27 2.04 1.08 -1.08 -1.42 117.51 119.08 1aq5 h ILE 39 Ca -0.13 -0.44 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 1aq5 h ILE 39 Cb 1.94 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 1aq5 h ILE 39 CO 0.18 0.16 0.00 1.05 -0.69 0.00 0.00 178.15 178.85 1aq5 h GLU 40 N 0.35 0.40 -0.77 2.37 4.11 -1.47 -0.13 114.58 119.44 1aq5 h GLU 40 Ca 0.10 -0.07 0.08 0.00 0.07 0.00 0.00 59.36 59.55 1aq5 h GLU 40 Cb 0.12 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1aq5 h GLU 40 CO -0.01 0.43 0.51 0.00 0.07 0.00 0.00 179.01 180.00 1aq5 h ALA 41 N 1.62 1.74 0.01 1.06 0.00 -0.94 0.12 119.26 122.87 1aq5 h ALA 41 Ca 0.09 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1aq5 h ALA 41 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1aq5 h ALA 41 CO 0.01 0.11 -0.99 -0.07 0.00 0.00 0.00 179.25 178.30 1aq5 h LEU 42 N 0.74 0.03 -0.91 0.00 -0.00 -0.51 -3.04 115.31 111.61 1aq5 h LEU 42 Ca 0.35 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.20 1aq5 h LEU 42 Cb 0.38 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1aq5 h LEU 42 CO -0.13 1.00 0.00 -0.33 -0.00 0.00 0.00 178.44 178.99 1aq5 h GLU 43 N 0.01 0.00 0.00 1.13 5.08 0.73 0.17 114.58 121.69 1aq5 h GLU 43 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1aq5 h GLU 43 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1aq5 h GLU 43 CO 0.13 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.23 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 4.21 -0.78 -0.21 115.58 120.22 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 0.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1aq5 h ASN 44 CO 0.00 0.00 -0.66 0.29 -1.29 0.00 0.00 177.43 175.77 1aq5 n LYS 45 N -2.51 3.02 -0.00 0.81 4.76 -0.65 -4.57 118.16 119.01 1aq5 n LYS 45 Ca 0.04 -0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.56 1aq5 n LYS 45 Cb 0.41 -0.87 -0.13 0.00 -1.84 0.00 0.00 35.03 32.59 1aq5 n LYS 45 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1aq5 n ILE 46 N -1.35 0.00 0.00 -0.18 2.08 0.51 -5.12 119.36 115.29 1aq5 n ILE 46 Ca 0.00 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.08 1aq5 n ILE 46 Cb 0.08 0.57 0.00 0.00 -0.75 0.00 0.00 39.64 39.54 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11