#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 0.43 -4.67 1.61 2.88 -1.26 -4.94 113.62 107.67 1aq5 n SER 2 Ca 0.00 0.05 -0.41 0.00 -1.33 0.00 0.00 58.87 57.18 1aq5 n SER 2 Cb 0.00 1.22 0.01 0.00 -0.75 0.00 0.00 64.21 64.69 1aq5 n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aq5 n HIS 3 N -2.34 1.82 -1.02 0.66 -0.00 -1.26 -4.99 115.22 108.09 1aq5 n HIS 3 Ca -0.01 0.53 -0.03 0.00 -0.00 0.00 0.00 57.72 58.21 1aq5 n HIS 3 Cb 0.53 -2.33 0.02 0.00 -0.00 0.00 0.00 29.99 28.22 1aq5 n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1aq5 n MET 4 N 0.10 -0.25 -0.41 -1.40 3.85 -1.26 -5.06 117.12 112.69 1aq5 n MET 4 Ca 0.08 -0.19 -0.09 0.00 -1.00 0.00 0.00 57.70 56.49 1aq5 n MET 4 Cb 0.39 -0.13 0.07 0.00 -1.05 0.00 0.00 33.22 32.50 1aq5 n MET 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1aq5 n GLU 5 N -1.33 -1.23 -3.78 3.17 1.02 -1.26 -5.02 120.64 112.21 1aq5 n GLU 5 Ca 0.02 -0.56 -0.36 0.00 -0.02 0.00 0.00 57.16 56.23 1aq5 n GLU 5 Cb 0.05 -0.47 -0.13 0.00 -0.02 0.00 0.00 31.44 30.88 1aq5 n GLU 5 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1aq5 s GLU 6 N -3.80 3.47 -0.70 3.49 0.41 -1.26 -4.72 118.70 115.60 1aq5 s GLU 6 Ca 0.22 -0.59 -0.10 0.00 -0.41 0.00 0.00 54.97 54.09 1aq5 s GLU 6 Cb -0.02 -3.29 0.01 0.00 -1.78 0.00 0.00 34.13 29.06 1aq5 s GLU 6 CO 0.16 -0.25 0.64 -3.47 -0.49 0.00 0.00 175.26 171.85 1aq5 n ASP 7 N 4.89 -5.85 0.14 -0.19 2.03 -1.26 -4.92 116.55 111.40 1aq5 n ASP 7 Ca -0.16 -0.49 -0.07 0.00 0.52 0.00 0.00 54.79 54.59 1aq5 n ASP 7 Cb 0.50 -2.72 -0.03 0.00 -0.72 0.00 0.00 41.12 38.16 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 0.56 -0.42 -2.08 -0.67 0.13 -2.01 -3.40 132.00 124.12 1aq5 h PRO 8 Ca -0.44 0.03 -0.56 0.00 -0.87 0.00 0.00 66.00 64.16 1aq5 h PRO 8 Cb 1.29 0.10 -0.42 0.00 0.13 0.00 0.00 31.00 32.10 1aq5 h PRO 8 CO 0.31 -0.28 -0.78 0.00 -0.23 0.00 0.00 178.00 177.02 1aq5 n GLU 10 N -0.17 -2.12 -0.26 0.00 1.02 -1.26 -4.70 120.64 113.15 1aq5 n GLU 10 Ca 0.30 0.27 0.33 0.00 -0.02 0.00 0.00 57.16 58.04 1aq5 n GLU 10 Cb 0.49 -4.81 0.65 0.00 -0.02 0.00 0.00 31.44 27.75 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 -3.69 5.10 0.08 0.00 4.01 -1.26 -4.54 118.16 117.86 1aq5 n LYS 12 Ca 0.24 -0.03 -0.14 0.00 -0.51 0.00 0.00 58.31 57.88 1aq5 n LYS 12 Cb 1.35 -0.43 -0.14 0.00 -0.51 0.00 0.00 35.03 35.31 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 0.30 0.08 4.39 0.02 -1.29 0.38 113.55 117.44 1aq5 h SER 13 Ca 0.00 -0.34 -0.29 0.00 -0.84 0.00 0.00 61.79 60.32 1aq5 h SER 13 Cb 0.01 -0.10 0.03 0.00 0.14 0.00 0.00 62.40 62.48 1aq5 h SER 13 CO 0.00 1.27 -1.17 0.40 -1.14 0.00 0.00 176.83 176.19 1aq5 h ILE 14 N 0.05 1.28 0.00 3.27 2.04 -1.62 -2.59 117.51 119.94 1aq5 h ILE 14 Ca -0.13 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.35 1aq5 h ILE 14 Cb 1.93 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 40.59 1aq5 h ILE 14 CO 0.17 0.73 -0.02 0.58 0.00 0.00 0.00 178.15 179.62 1aq5 h VAL 15 N 0.32 0.00 -0.30 1.67 2.07 -1.75 -2.32 116.25 115.94 1aq5 h VAL 15 Ca -0.17 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 1aq5 h VAL 15 Cb 1.84 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 1aq5 h VAL 15 CO 0.23 0.00 -0.27 0.50 0.02 0.00 0.00 177.57 178.04 1aq5 h LYS 16 N 0.00 0.71 -0.11 1.57 3.11 -0.80 -2.44 116.57 118.62 1aq5 h LYS 16 Ca 0.00 -0.37 -0.11 0.00 -2.81 0.00 0.00 60.65 57.36 1aq5 h LYS 16 Cb 0.86 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.09 1aq5 h LYS 16 CO 0.00 0.98 -0.44 0.35 -2.81 0.00 0.00 179.45 177.53 1aq5 h PHE 17 N 0.46 0.29 -0.53 1.91 3.57 -1.32 -2.93 116.94 118.39 1aq5 h PHE 17 Ca 0.05 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1aq5 h PHE 17 Cb 0.84 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 1aq5 h PHE 17 CO 0.07 0.65 0.20 1.96 -2.23 0.00 0.00 178.31 178.96 1aq5 h GLN 18 N 0.20 0.38 -0.81 1.11 7.50 -0.97 -0.16 115.11 122.36 1aq5 h GLN 18 Ca 0.02 -0.02 0.04 0.00 0.50 0.00 0.00 58.65 59.18 1aq5 h GLN 18 Cb 0.86 -0.08 -0.05 0.00 0.05 0.00 0.00 27.48 28.26 1aq5 h GLN 18 CO 0.07 0.25 0.54 1.15 -1.50 0.00 0.00 178.83 179.33 1aq5 h THR 19 N 0.39 1.12 0.00 -0.54 2.02 -1.27 0.22 112.91 114.85 1aq5 h THR 19 Ca 0.26 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1aq5 h THR 19 Cb 0.28 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1aq5 h THR 19 CO -0.25 0.18 -0.25 0.11 0.37 0.00 0.00 175.52 175.67 1aq5 h LYS 20 N 0.99 0.00 0.00 6.66 1.79 -1.05 -0.40 116.57 124.56 1aq5 h LYS 20 Ca 0.33 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1aq5 h LYS 20 Cb 0.07 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1aq5 h LYS 20 CO -0.10 0.25 -0.15 0.28 -1.08 0.00 0.00 179.45 178.65 1aq5 h VAL 21 N 0.00 0.11 -0.02 0.50 2.07 0.37 -2.39 116.25 116.89 1aq5 h VAL 21 Ca -0.00 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1aq5 h VAL 21 Cb 0.45 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1aq5 h VAL 21 CO 0.03 0.06 -0.08 -0.33 0.02 0.00 0.00 177.57 177.28 1aq5 h GLU 22 N 0.00 0.09 -0.06 1.57 5.08 0.98 -1.56 114.58 120.69 1aq5 h GLU 22 Ca -0.00 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 1aq5 h GLU 22 Cb 1.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1aq5 h GLU 22 CO 0.01 0.70 -0.72 0.93 -1.00 0.00 0.00 179.01 178.92 1aq5 h GLU 23 N -0.49 0.33 -0.27 2.33 5.08 -1.49 -2.78 114.58 117.28 1aq5 h GLU 23 Ca -0.00 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1aq5 h GLU 23 Cb 0.71 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1aq5 h GLU 23 CO 0.02 0.92 -0.05 1.25 -1.00 0.00 0.00 179.01 180.14 1aq5 h LEU 24 N 0.22 0.50 -1.00 1.33 5.85 -1.48 -1.85 115.31 118.88 1aq5 h LEU 24 Ca -0.03 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.36 1aq5 h LEU 24 Cb 1.29 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1aq5 h LEU 24 CO 0.12 0.74 0.66 0.40 -0.34 0.00 0.00 178.44 180.02 1aq5 h ILE 25 N 0.26 1.24 -0.53 4.05 5.03 -1.29 -1.20 117.51 125.08 1aq5 h ILE 25 Ca 0.07 -0.46 -0.01 0.00 -0.12 0.00 0.00 64.86 64.34 1aq5 h ILE 25 Cb 0.51 -0.22 -0.03 0.00 -3.03 0.00 0.00 36.82 34.05 1aq5 h ILE 25 CO 0.02 0.25 0.31 -1.13 -0.68 0.00 0.00 178.15 176.92 1aq5 h ASN 26 N 1.35 0.65 -0.29 1.72 -0.73 -1.27 -1.43 115.58 115.57 1aq5 h ASN 26 Ca 0.37 -0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.46 1aq5 h ASN 26 Cb -0.13 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.28 1aq5 h ASN 26 CO -0.09 0.53 0.16 0.74 -0.37 0.00 0.00 177.43 178.40 1aq5 h THR 27 N 0.71 1.11 -0.14 -3.57 2.02 -0.47 -0.62 112.91 111.94 1aq5 h THR 27 Ca 0.19 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1aq5 h THR 27 Cb 0.01 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1aq5 h THR 27 CO -0.03 0.12 -0.14 -0.07 0.37 0.00 0.00 175.52 175.76 1aq5 h LEU 28 N 0.44 0.38 -0.64 2.58 3.38 -0.36 -1.73 115.31 119.35 1aq5 h LEU 28 Ca 0.11 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1aq5 h LEU 28 Cb 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1aq5 h LEU 28 CO -0.02 0.78 0.00 1.67 0.09 0.00 0.00 178.44 180.96 1aq5 n GLN 29 N -4.56 0.14 -0.08 1.13 7.27 -0.63 -1.66 117.38 119.00 1aq5 n GLN 29 Ca -0.06 0.43 -0.16 0.00 0.07 0.00 0.00 57.00 57.28 1aq5 n GLN 29 Cb 0.36 -1.79 -0.12 0.00 2.41 0.00 0.00 30.24 31.10 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 -0.59 -2.37 115.11 116.92 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 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1aq5 h GLN 30 CO 0.00 0.98 0.00 0.87 -0.95 0.00 0.00 178.83 179.73 1aq5 h LYS 31 N -1.00 0.00 0.09 1.46 1.57 -1.08 -1.73 116.57 115.88 1aq5 h LYS 31 Ca -0.08 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 1aq5 h LYS 31 Cb 1.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1aq5 h LYS 31 CO -0.05 0.00 -0.86 1.25 -0.57 0.00 0.00 179.45 179.23 1aq5 h LEU 32 N 0.00 0.31 -1.10 2.94 5.85 -1.36 -0.11 115.31 121.83 1aq5 h LEU 32 Ca 0.00 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.82 1aq5 h LEU 32 Cb 0.36 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1aq5 h LEU 32 CO 0.00 1.39 0.00 -0.08 -0.34 0.00 0.00 178.44 179.41 1aq5 h GLU 33 N -0.53 0.00 0.03 1.25 4.57 -1.18 -1.44 114.58 117.28 1aq5 h GLU 33 Ca -0.18 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.69 1aq5 h GLU 33 Cb 1.52 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.07 1aq5 h GLU 33 CO 0.07 0.00 -1.83 0.00 -1.18 0.00 0.00 179.01 176.07 1aq5 n ALA 34 N -1.94 1.34 -0.18 2.92 0.00 -0.67 -3.31 120.51 118.66 1aq5 n ALA 34 Ca 0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 53.44 52.64 1aq5 n ALA 34 Cb 0.27 -0.76 0.10 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.41 -0.96 116.25 118.23 1aq5 h VAL 35 Ca -0.34 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 1aq5 h VAL 35 Cb 2.03 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1aq5 h VAL 35 CO 0.08 0.37 -0.35 0.00 0.02 0.00 0.00 177.57 177.69 1aq5 h ALA 36 N 1.16 1.27 -0.12 1.67 0.00 -1.40 -1.36 119.26 120.49 1aq5 h ALA 36 Ca 0.18 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1aq5 h ALA 36 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1aq5 h ALA 36 CO 0.01 0.44 -0.63 0.87 0.00 0.00 0.00 179.25 179.94 1aq5 h LYS 37 N 0.00 0.43 -0.23 0.00 1.57 -1.26 -2.51 116.57 114.56 1aq5 h LYS 37 Ca -0.00 -0.31 -0.17 0.00 -1.87 0.00 0.00 60.65 58.30 1aq5 h LYS 37 Cb 0.68 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1aq5 h LYS 37 CO 0.05 0.92 -0.54 0.00 -0.57 0.00 0.00 179.45 179.31 1aq5 h ARG 38 N 0.31 0.78 -0.87 3.15 2.47 -0.72 -1.85 114.38 117.65 1aq5 h ARG 38 Ca -0.01 -0.52 0.07 0.00 -1.26 0.00 0.00 59.98 58.26 1aq5 h ARG 38 Cb 1.18 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.51 1aq5 h ARG 38 CO 0.11 1.15 0.54 0.82 0.56 0.00 0.00 179.97 183.14 1aq5 h ILE 39 N 0.52 1.02 -0.43 2.04 1.08 -1.20 0.18 117.51 120.71 1aq5 h ILE 39 Ca -0.00 -0.33 -0.07 0.00 -0.39 0.00 0.00 64.86 64.07 1aq5 h ILE 39 Cb 1.15 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1aq5 h ILE 39 CO 0.12 0.17 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.42 1aq5 h GLU 40 N 0.96 0.71 -0.77 2.37 4.39 -1.28 -0.46 114.58 120.49 1aq5 h GLU 40 Ca 0.39 -0.18 0.13 0.00 0.34 0.00 0.00 59.36 60.04 1aq5 h GLU 40 Cb 0.22 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 1aq5 h GLU 40 CO -0.19 0.73 0.51 0.00 -1.16 0.00 0.00 179.01 178.90 1aq5 h ALA 41 N 1.33 1.97 0.04 3.43 0.00 0.19 0.25 119.26 126.48 1aq5 h ALA 41 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 1aq5 h ALA 41 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1aq5 h ALA 41 CO 0.02 -0.17 -1.10 -0.07 0.00 0.00 0.00 179.25 177.93 1aq5 h LEU 42 N 0.53 0.13 -1.32 0.00 -0.00 -0.58 -3.12 115.31 110.95 1aq5 h LEU 42 Ca 0.37 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1aq5 h LEU 42 Cb 0.70 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1aq5 h LEU 42 CO -0.14 1.11 0.00 -0.33 -0.00 0.00 0.00 178.44 179.08 1aq5 h GLU 43 N 0.02 0.00 0.00 1.13 5.08 0.94 0.10 114.58 121.86 1aq5 h GLU 43 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1aq5 h GLU 43 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 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 -0.85 0.78 115.58 121.14 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 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1aq5 h ASN 44 CO 0.00 0.00 -0.99 0.29 -1.29 0.00 0.00 177.43 175.44 1aq5 n LYS 45 N -2.72 1.60 -0.00 0.81 4.01 -0.57 -4.56 118.16 116.74 1aq5 n LYS 45 Ca 0.03 -0.04 0.08 0.00 -0.51 0.00 0.00 58.31 57.87 1aq5 n LYS 45 Cb 0.38 -1.04 -0.10 0.00 -0.51 0.00 0.00 35.03 33.75 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 -1.55 0.00 0.00 -0.18 2.08 0.25 -5.13 119.36 114.83 1aq5 n ILE 46 Ca -0.00 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.17 1aq5 n ILE 46 Cb 0.14 0.88 0.00 0.00 -0.75 0.00 0.00 39.64 39.91 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11