#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 -5.78 -0.02 1.61 7.64 -1.26 -4.95 113.62 110.86 1aq5 n SER 2 Ca 0.00 -0.73 -0.03 0.00 1.01 0.00 0.00 58.87 59.13 1aq5 n SER 2 Cb 0.00 -3.05 -0.01 0.00 -1.01 0.00 0.00 64.21 60.14 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 -2.75 0.00 -1.12 1.43 -0.00 -1.26 -4.81 115.22 106.70 1aq5 n HIS 3 Ca -0.18 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1aq5 n HIS 3 Cb 0.61 -0.15 0.17 0.00 -0.00 0.00 0.00 29.99 30.62 1aq5 n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1aq5 n MET 4 N -3.25 1.57 -3.11 1.57 2.00 -1.26 -5.00 117.12 109.65 1aq5 n MET 4 Ca -0.04 -2.71 -0.06 0.00 0.00 0.00 0.00 57.70 54.89 1aq5 n MET 4 Cb 0.15 -1.57 0.03 0.00 0.00 0.00 0.00 33.22 31.83 1aq5 n MET 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1aq5 n GLU 5 N -1.26 -1.64 -1.22 0.03 4.07 -1.26 -4.35 120.64 115.01 1aq5 n GLU 5 Ca 0.18 1.25 0.16 0.00 -0.06 0.00 0.00 57.16 58.69 1aq5 n GLU 5 Cb 0.69 -5.73 -0.04 0.00 -0.06 0.00 0.00 31.44 26.30 1aq5 n GLU 5 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1aq5 n GLU 6 N -2.30 -2.45 -1.36 5.31 1.02 -1.26 -4.40 120.64 115.19 1aq5 n GLU 6 Ca -0.03 1.66 -0.53 0.00 -0.02 0.00 0.00 57.16 58.24 1aq5 n GLU 6 Cb 0.54 -3.00 -0.11 0.00 -0.02 0.00 0.00 31.44 28.86 1aq5 n GLU 6 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1aq5 n ASP 7 N -4.33 1.15 0.02 1.62 2.03 -1.26 -4.83 116.55 110.95 1aq5 n ASP 7 Ca 0.00 0.46 -0.01 0.00 0.52 0.00 0.00 54.79 55.76 1aq5 n ASP 7 Cb 0.64 -1.04 -0.01 0.00 -0.72 0.00 0.00 41.12 39.99 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 11.00 -0.07 -1.57 -0.67 0.13 -1.77 -3.43 132.00 135.63 1aq5 h PRO 8 Ca -0.15 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.53 1aq5 h PRO 8 Cb 1.37 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 32.11 1aq5 h PRO 8 CO 1.12 -0.04 -1.08 0.00 -0.23 0.00 0.00 178.00 177.77 1aq5 n GLU 10 N -0.01 -0.90 -0.19 0.00 1.02 -1.26 -4.74 120.64 114.56 1aq5 n GLU 10 Ca 0.21 0.10 0.25 0.00 -0.02 0.00 0.00 57.16 57.69 1aq5 n GLU 10 Cb 0.69 -3.44 0.65 0.00 -0.02 0.00 0.00 31.44 29.32 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 -4.36 4.63 0.07 0.00 5.02 -1.26 -4.39 118.16 117.86 1aq5 n LYS 12 Ca 0.18 -0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.39 1aq5 n LYS 12 Cb 0.85 -0.76 -0.09 0.00 -0.02 0.00 0.00 35.03 35.02 1aq5 n LYS 12 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1aq5 h SER 13 N 0.00 0.06 0.25 4.39 0.02 -1.69 0.35 113.55 116.93 1aq5 h SER 13 Ca 0.00 -0.06 -0.34 0.00 -0.84 0.00 0.00 61.79 60.55 1aq5 h SER 13 Cb 0.10 -0.02 0.03 0.00 0.14 0.00 0.00 62.40 62.65 1aq5 h SER 13 CO 0.00 0.99 -1.57 0.40 -1.14 0.00 0.00 176.83 175.51 1aq5 h ILE 14 N 0.01 1.17 0.00 3.27 2.04 -1.57 -2.56 117.51 119.86 1aq5 h ILE 14 Ca -0.02 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.19 1aq5 h ILE 14 Cb 1.70 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.73 1aq5 h ILE 14 CO 0.13 0.83 0.00 0.58 0.00 0.00 0.00 178.15 179.69 1aq5 h VAL 15 N 0.13 0.00 -0.07 1.67 2.07 -1.76 -2.33 116.25 115.97 1aq5 h VAL 15 Ca -0.29 -0.90 -0.15 0.00 0.82 0.00 0.00 66.70 66.18 1aq5 h VAL 15 Cb 2.14 1.90 0.01 0.00 -1.52 0.00 0.00 31.29 33.82 1aq5 h VAL 15 CO 0.24 0.00 -0.56 0.50 0.02 0.00 0.00 177.57 177.77 1aq5 h LYS 16 N 0.00 0.50 -0.14 1.57 1.63 -0.94 -2.69 116.57 116.49 1aq5 h LYS 16 Ca 0.00 -0.45 -0.03 0.00 -0.85 0.00 0.00 60.65 59.32 1aq5 h LYS 16 Cb 0.91 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 1aq5 h LYS 16 CO 0.00 1.08 -0.04 0.35 -3.45 0.00 0.00 179.45 177.39 1aq5 h PHE 17 N 0.07 0.21 -0.45 1.91 3.04 -1.35 -2.01 116.94 118.35 1aq5 h PHE 17 Ca -0.05 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1aq5 h PHE 17 Cb 1.23 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.65 1aq5 h PHE 17 CO 0.12 0.26 0.28 1.96 -2.02 0.00 0.00 178.31 178.91 1aq5 h GLN 18 N 0.20 0.61 -0.62 1.11 4.20 -1.13 -1.37 115.11 118.12 1aq5 h GLN 18 Ca 0.05 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1aq5 h GLN 18 Cb 0.21 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1aq5 h GLN 18 CO 0.01 0.44 0.41 1.15 -0.67 0.00 0.00 178.83 180.17 1aq5 h THR 19 N 0.60 1.03 -0.12 -0.54 2.02 -1.06 0.24 112.91 115.09 1aq5 h THR 19 Ca 0.16 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1aq5 h THR 19 Cb -0.02 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1aq5 h THR 19 CO -0.03 0.12 -0.21 0.11 0.37 0.00 0.00 175.52 175.88 1aq5 h LYS 20 N 0.64 0.20 0.00 6.66 1.79 -1.06 -0.24 116.57 124.55 1aq5 h LYS 20 Ca 0.26 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1aq5 h LYS 20 Cb 0.21 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1aq5 h LYS 20 CO -0.08 0.40 0.00 0.28 -1.08 0.00 0.00 179.45 178.98 1aq5 h VAL 21 N 0.18 0.00 -0.00 0.50 2.07 0.09 -2.37 116.25 116.71 1aq5 h VAL 21 Ca 0.03 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1aq5 h VAL 21 Cb 0.48 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1aq5 h VAL 21 CO 0.03 0.00 -0.35 -0.33 0.02 0.00 0.00 177.57 176.94 1aq5 h GLU 22 N 0.00 0.24 -0.17 1.57 5.08 0.77 -1.67 114.58 120.40 1aq5 h GLU 22 Ca 0.00 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 1aq5 h GLU 22 Cb 0.86 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1aq5 h GLU 22 CO 0.00 0.97 -0.53 0.93 -1.00 0.00 0.00 179.01 179.38 1aq5 h GLU 23 N -0.39 0.48 0.01 2.33 5.08 -1.41 -2.67 114.58 118.01 1aq5 h GLU 23 Ca -0.04 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1aq5 h GLU 23 Cb 1.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1aq5 h GLU 23 CO 0.07 0.89 -0.00 1.25 -1.00 0.00 0.00 179.01 180.22 1aq5 h LEU 24 N 0.38 -0.01 -1.16 1.33 5.85 -1.48 -2.20 115.31 118.02 1aq5 h LEU 24 Ca 0.01 -0.34 0.15 0.00 0.84 0.00 0.00 57.88 58.54 1aq5 h LEU 24 Cb 1.05 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.00 1aq5 h LEU 24 CO 0.10 0.34 0.60 0.40 -0.34 0.00 0.00 178.44 179.53 1aq5 h ILE 25 N -0.35 0.83 -0.81 4.05 5.03 -1.29 0.19 117.51 125.16 1aq5 h ILE 25 Ca -0.00 -0.27 -0.04 0.00 -0.12 0.00 0.00 64.86 64.43 1aq5 h ILE 25 Cb 0.34 -0.02 -0.04 0.00 -3.03 0.00 0.00 36.82 34.07 1aq5 h ILE 25 CO 0.00 0.14 0.34 -1.13 -0.68 0.00 0.00 178.15 176.83 1aq5 h ASN 26 N 0.78 1.10 -0.05 1.72 -0.73 -1.19 -1.56 115.58 115.65 1aq5 h ASN 26 Ca 0.49 -0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.46 1aq5 h ASN 26 Cb 0.71 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 1aq5 h ASN 26 CO -0.25 0.96 -0.06 0.74 -0.37 0.00 0.00 177.43 178.44 1aq5 h THR 27 N 1.17 1.15 -0.14 -3.57 2.02 -0.05 -0.16 112.91 113.34 1aq5 h THR 27 Ca 0.27 -0.64 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 1aq5 h THR 27 Cb 0.19 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1aq5 h THR 27 CO -0.03 0.21 -0.40 -0.07 0.37 0.00 0.00 175.52 175.60 1aq5 h LEU 28 N 0.27 0.59 -0.62 2.58 3.38 -0.50 -1.76 115.31 119.25 1aq5 h LEU 28 Ca 0.06 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1aq5 h LEU 28 Cb 0.29 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1aq5 h LEU 28 CO 0.01 1.08 0.00 1.67 0.09 0.00 0.00 178.44 181.30 1aq5 n GLN 29 N -4.29 0.17 -0.06 1.13 7.27 -0.66 -1.61 117.38 119.32 1aq5 n GLN 29 Ca -0.07 0.41 -0.08 0.00 0.07 0.00 0.00 57.00 57.33 1aq5 n GLN 29 Cb 0.54 -1.82 -0.07 0.00 2.41 0.00 0.00 30.24 31.30 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 -0.64 -2.14 115.11 117.10 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 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1aq5 h GLN 30 CO 0.00 0.51 0.00 0.87 -0.95 0.00 0.00 178.83 179.26 1aq5 h LYS 31 N -1.00 0.00 0.07 1.46 1.79 -1.20 -1.35 116.57 116.34 1aq5 h LYS 31 Ca -0.02 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.34 1aq5 h LYS 31 Cb 0.55 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1aq5 h LYS 31 CO -0.01 0.00 -0.52 1.25 -1.08 0.00 0.00 179.45 179.09 1aq5 h LEU 32 N 0.00 0.23 -1.48 2.94 5.85 -1.35 -0.40 115.31 121.11 1aq5 h LEU 32 Ca 0.00 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.78 1aq5 h LEU 32 Cb 0.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1aq5 h LEU 32 CO 0.00 1.24 0.00 -0.08 -0.34 0.00 0.00 178.44 179.26 1aq5 h GLU 33 N -0.68 0.00 0.07 1.25 4.57 -0.93 -1.59 114.58 117.26 1aq5 h GLU 33 Ca -0.10 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.76 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 0.06 0.00 -1.76 0.00 -1.18 0.00 0.00 179.01 176.13 1aq5 h ALA 34 N 2.06 0.55 -0.84 2.92 0.00 -1.30 -3.22 119.26 119.43 1aq5 h ALA 34 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 54.91 53.53 1aq5 h ALA 34 Cb 0.40 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1aq5 h ALA 34 CO 0.00 1.40 0.44 0.28 0.00 0.00 0.00 179.25 181.37 1aq5 h VAL 35 N 0.04 1.25 0.00 0.00 2.07 -0.42 -0.25 116.25 118.94 1aq5 h VAL 35 Ca -0.32 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1aq5 h VAL 35 Cb 2.02 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1aq5 h VAL 35 CO 0.10 0.29 -0.21 0.00 0.02 0.00 0.00 177.57 177.77 1aq5 h ALA 36 N 1.24 1.56 -0.14 1.67 0.00 -1.41 -1.27 119.26 120.90 1aq5 h ALA 36 Ca 0.29 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1aq5 h ALA 36 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1aq5 h ALA 36 CO -0.04 0.26 -0.51 0.87 0.00 0.00 0.00 179.25 179.83 1aq5 h LYS 37 N 0.00 0.37 -0.11 0.00 1.57 -1.08 -2.10 116.57 115.23 1aq5 h LYS 37 Ca -0.00 -0.22 -0.20 0.00 -1.87 0.00 0.00 60.65 58.36 1aq5 h LYS 37 Cb 0.40 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1aq5 h LYS 37 CO 0.03 0.80 -0.76 0.00 -0.57 0.00 0.00 179.45 178.94 1aq5 h ARG 38 N 0.29 0.57 -0.69 3.15 2.47 -0.49 -1.88 114.38 117.80 1aq5 h ARG 38 Ca 0.01 -0.47 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 1aq5 h ARG 38 Cb 1.00 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 29.39 1aq5 h ARG 38 CO 0.09 1.10 0.40 0.82 0.56 0.00 0.00 179.97 182.94 1aq5 h ILE 39 N 0.39 1.20 -0.39 2.04 1.08 -1.10 -0.87 117.51 119.86 1aq5 h ILE 39 Ca -0.04 -0.46 -0.06 0.00 -0.39 0.00 0.00 64.86 63.90 1aq5 h ILE 39 Cb 1.36 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 1aq5 h ILE 39 CO 0.14 0.21 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.47 1aq5 h GLU 40 N 0.93 0.63 -0.85 2.37 4.39 -1.29 -0.84 114.58 119.92 1aq5 h GLU 40 Ca 0.24 -0.15 0.09 0.00 0.34 0.00 0.00 59.36 59.88 1aq5 h GLU 40 Cb -0.01 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 1aq5 h GLU 40 CO -0.04 0.66 0.55 0.00 -1.16 0.00 0.00 179.01 179.02 1aq5 h ALA 41 N 1.39 1.66 -0.00 3.43 0.00 -0.33 0.22 119.26 125.63 1aq5 h ALA 41 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1aq5 h ALA 41 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1aq5 h ALA 41 CO 0.02 0.18 -0.80 -0.07 0.00 0.00 0.00 179.25 178.58 1aq5 h LEU 42 N 0.85 0.05 -1.23 0.00 -0.00 -0.62 -2.81 115.31 111.55 1aq5 h LEU 42 Ca 0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.23 1aq5 h LEU 42 Cb 0.37 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1aq5 h LEU 42 CO -0.15 0.83 0.00 -0.33 -0.00 0.00 0.00 178.44 178.78 1aq5 h GLU 43 N 0.02 0.00 0.00 1.13 5.08 0.70 0.21 114.58 121.72 1aq5 h GLU 43 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1aq5 h GLU 43 Cb 1.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1aq5 h GLU 43 CO 0.11 0.00 -0.27 -0.91 -1.00 0.00 0.00 179.01 176.94 1aq5 h ASN 44 N 0.00 0.00 -0.00 1.42 2.35 -0.87 0.70 115.58 119.18 1aq5 h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1aq5 h ASN 44 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1aq5 h ASN 44 CO 0.00 0.27 -0.22 0.29 -1.65 0.00 0.00 177.43 176.12 1aq5 n LYS 45 N -3.40 5.10 -0.00 0.81 4.01 -0.67 -4.54 118.16 119.46 1aq5 n LYS 45 Ca 0.00 -0.04 0.07 0.00 -0.51 0.00 0.00 58.31 57.83 1aq5 n LYS 45 Cb 0.47 -0.75 -0.09 0.00 -0.51 0.00 0.00 35.03 34.15 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 -1.04 0.00 0.00 -0.18 2.08 0.65 -5.13 119.36 115.75 1aq5 n ILE 46 Ca 0.01 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.12 1aq5 n ILE 46 Cb 0.08 0.80 0.00 0.00 -0.75 0.00 0.00 39.64 39.77 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11