#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 1.35 -4.91 1.61 2.88 -1.26 -4.90 113.62 108.40 1aq5 n SER 2 Ca 0.00 -0.82 -0.28 0.00 -1.33 0.00 0.00 58.87 56.44 1aq5 n SER 2 Cb 0.00 -1.39 0.07 0.00 -0.75 0.00 0.00 64.21 62.14 1aq5 n SER 2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1aq5 s HIS 3 N 11.23 3.02 0.00 0.66 4.02 -1.26 -5.10 115.29 127.86 1aq5 s HIS 3 Ca 1.05 0.71 0.00 0.00 1.02 0.00 0.00 55.06 57.84 1aq5 s HIS 3 Cb -0.38 -3.31 0.00 0.00 -1.02 0.00 0.00 32.58 27.87 1aq5 s HIS 3 CO 0.26 -1.54 0.00 -1.33 1.02 0.00 0.00 174.74 173.15 1aq5 n MET 4 N -3.13 1.59 -1.96 1.40 2.81 -1.26 -5.04 117.12 111.54 1aq5 n MET 4 Ca 0.08 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.64 1aq5 n MET 4 Cb 0.60 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.14 1aq5 n MET 4 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1aq5 n GLU 5 N -0.45 3.09 -3.94 0.03 1.02 -1.26 -4.88 120.64 114.25 1aq5 n GLU 5 Ca 0.00 -3.86 -0.30 0.00 -0.02 0.00 0.00 57.16 52.98 1aq5 n GLU 5 Cb 0.00 -2.27 -0.16 0.00 -0.02 0.00 0.00 31.44 28.99 1aq5 n GLU 5 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1aq5 s GLU 6 N -3.79 1.67 -0.57 3.49 -1.05 -1.26 -4.89 118.70 112.30 1aq5 s GLU 6 Ca 0.54 -0.82 -0.23 0.00 -0.15 0.00 0.00 54.97 54.30 1aq5 s GLU 6 Cb 0.44 -2.39 0.03 0.00 -0.44 0.00 0.00 34.13 31.77 1aq5 s GLU 6 CO -0.18 -0.51 0.64 -3.47 0.95 0.00 0.00 175.26 172.69 1aq5 n ASP 7 N 4.73 -5.74 0.04 0.83 2.03 -1.26 -4.93 116.55 112.26 1aq5 n ASP 7 Ca -0.13 -0.30 -0.02 0.00 0.52 0.00 0.00 54.79 54.86 1aq5 n ASP 7 Cb 0.46 -2.31 -0.01 0.00 -0.72 0.00 0.00 41.12 38.53 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 1.32 -0.15 -1.14 -0.67 0.13 -1.90 -3.34 132.00 126.25 1aq5 h PRO 8 Ca -0.49 0.01 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 1aq5 h PRO 8 Cb 1.34 0.03 -0.19 0.00 0.13 0.00 0.00 31.00 32.31 1aq5 h PRO 8 CO 0.27 -0.10 0.47 0.00 -0.23 0.00 0.00 178.00 178.41 1aq5 n GLU 10 N -0.34 -1.70 -0.53 0.00 1.02 -1.25 -4.69 120.64 113.15 1aq5 n GLU 10 Ca 0.38 0.23 0.44 0.00 -0.02 0.00 0.00 57.16 58.19 1aq5 n GLU 10 Cb 1.00 -4.70 0.77 0.00 -0.02 0.00 0.00 31.44 28.48 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 -4.14 6.14 0.11 0.00 4.01 -1.26 -4.52 118.16 118.50 1aq5 n LYS 12 Ca 0.36 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 58.15 1aq5 n LYS 12 Cb 1.64 -0.49 0.02 0.00 -0.51 0.00 0.00 35.03 35.69 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 0.40 4.39 0.02 -1.31 -0.83 113.55 116.22 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 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1aq5 h SER 13 CO 0.00 0.71 -1.48 0.40 -1.14 0.00 0.00 176.83 175.32 1aq5 h ILE 14 N 0.00 1.24 0.00 3.27 2.04 -1.60 -2.59 117.51 119.88 1aq5 h ILE 14 Ca -0.01 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.06 1aq5 h ILE 14 Cb 1.45 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 40.42 1aq5 h ILE 14 CO 0.09 0.84 0.00 0.58 0.00 0.00 0.00 178.15 179.66 1aq5 h VAL 15 N 0.10 0.00 -0.06 1.67 2.07 -1.77 -2.42 116.25 115.85 1aq5 h VAL 15 Ca -0.24 -0.86 -0.24 0.00 0.82 0.00 0.00 66.70 66.19 1aq5 h VAL 15 Cb 2.06 1.86 0.02 0.00 -1.52 0.00 0.00 31.29 33.71 1aq5 h VAL 15 CO 0.21 0.00 -0.89 0.50 0.02 0.00 0.00 177.57 177.41 1aq5 h LYS 16 N 0.00 0.70 -0.13 1.57 3.11 -1.15 -2.59 116.57 118.08 1aq5 h LYS 16 Ca 0.00 -0.68 -0.04 0.00 -2.81 0.00 0.00 60.65 57.12 1aq5 h LYS 16 Cb 0.92 0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 32.31 1aq5 h LYS 16 CO 0.00 1.27 -0.09 0.35 -2.81 0.00 0.00 179.45 178.17 1aq5 h PHE 17 N 0.38 0.20 -0.56 1.91 3.04 -1.29 -2.17 116.94 118.45 1aq5 h PHE 17 Ca -0.10 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.81 1aq5 h PHE 17 Cb 1.54 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.97 1aq5 h PHE 17 CO 0.10 0.29 0.26 1.96 -2.02 0.00 0.00 178.31 178.90 1aq5 h GLN 18 N 0.19 0.81 -0.81 1.11 4.20 -1.10 -1.88 115.11 117.63 1aq5 h GLN 18 Ca 0.04 -0.13 0.17 0.00 0.06 0.00 0.00 58.65 58.79 1aq5 h GLN 18 Cb 0.29 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 1aq5 h GLN 18 CO 0.02 0.68 0.54 0.00 -0.67 0.00 0.00 178.83 179.39 1aq5 h THR 19 N 0.76 0.76 -0.42 -0.54 1.03 -1.02 0.40 112.91 113.88 1aq5 h THR 19 Ca 0.19 -0.14 -0.13 0.00 -0.01 0.00 0.00 66.41 66.31 1aq5 h THR 19 Cb 0.14 0.30 -0.01 0.00 -1.07 0.00 0.00 68.15 67.51 1aq5 h THR 19 CO -0.02 0.08 -0.27 0.11 -0.01 0.00 0.00 175.52 175.41 1aq5 h LYS 20 N 0.42 0.90 0.00 0.00 1.57 -1.33 -1.87 116.57 116.27 1aq5 h LYS 20 Ca 0.40 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aq5 h LYS 20 Cb 0.95 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1aq5 h LYS 20 CO -0.14 1.06 0.00 0.28 -0.57 0.00 0.00 179.45 180.08 1aq5 h VAL 21 N 0.77 0.00 0.03 0.50 2.07 0.03 -1.53 116.25 118.12 1aq5 h VAL 21 Ca 0.09 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1aq5 h VAL 21 Cb 0.83 1.26 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1aq5 h VAL 21 CO 0.07 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 176.92 1aq5 h GLU 22 N 0.00 0.23 0.00 1.57 5.08 0.21 -1.57 114.58 120.09 1aq5 h GLU 22 Ca 0.00 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 1aq5 h GLU 22 Cb 0.52 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1aq5 h GLU 22 CO 0.00 1.03 -0.51 1.05 -1.00 0.00 0.00 179.01 179.58 1aq5 h GLU 23 N -0.45 0.00 -0.03 2.33 4.11 -1.38 -2.76 114.58 116.41 1aq5 h GLU 23 Ca -0.06 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.25 1aq5 h GLU 23 Cb 1.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.46 1aq5 h GLU 23 CO 0.08 0.51 -0.44 1.25 0.07 0.00 0.00 179.01 180.48 1aq5 h LEU 24 N 0.00 0.44 -1.17 3.06 5.85 -1.34 -2.44 115.31 119.71 1aq5 h LEU 24 Ca -0.01 -0.72 -0.01 0.00 0.84 0.00 0.00 57.88 57.99 1aq5 h LEU 24 Cb 1.21 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1aq5 h LEU 24 CO 0.07 1.10 0.42 0.40 -0.34 0.00 0.00 178.44 180.09 1aq5 h ILE 25 N -0.18 1.21 -0.11 4.05 5.03 -1.31 -1.10 117.51 125.10 1aq5 h ILE 25 Ca -0.05 -0.48 -0.01 0.00 -0.12 0.00 0.00 64.86 64.21 1aq5 h ILE 25 Cb 1.14 0.20 -0.01 0.00 -3.03 0.00 0.00 36.82 35.12 1aq5 h ILE 25 CO 0.09 0.22 0.05 -1.13 -0.68 0.00 0.00 178.15 176.70 1aq5 h ASN 26 N 1.00 0.15 -0.21 1.72 -0.73 -1.47 -1.49 115.58 114.56 1aq5 h ASN 26 Ca 0.26 -0.15 0.04 0.00 1.87 0.00 0.00 56.30 58.32 1aq5 h ASN 26 Cb -0.02 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.52 1aq5 h ASN 26 CO -0.05 0.26 0.15 0.74 -0.37 0.00 0.00 177.43 178.16 1aq5 h THR 27 N 0.03 0.94 -0.09 -3.57 2.02 -0.92 -0.16 112.91 111.17 1aq5 h THR 27 Ca 0.04 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1aq5 h THR 27 Cb 0.16 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1aq5 h THR 27 CO -0.00 0.02 -0.26 -0.07 0.37 0.00 0.00 175.52 175.58 1aq5 h LEU 28 N 0.09 0.38 -0.13 2.58 3.38 -0.56 -1.69 115.31 119.35 1aq5 h LEU 28 Ca 0.09 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1aq5 h LEU 28 Cb 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1aq5 h LEU 28 CO -0.01 0.91 0.00 1.67 0.09 0.00 0.00 178.44 181.10 1aq5 n GLN 29 N -4.48 0.04 -0.09 1.13 7.27 -0.62 -1.61 117.38 119.02 1aq5 n GLN 29 Ca -0.08 0.28 -0.18 0.00 0.07 0.00 0.00 57.00 57.09 1aq5 n GLN 29 Cb 0.45 -1.57 -0.12 0.00 2.41 0.00 0.00 30.24 31.41 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 -0.73 -2.46 115.11 116.69 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 0.98 0.00 0.87 -0.95 0.00 0.00 178.83 179.73 1aq5 h LYS 31 N -1.00 0.00 0.04 1.46 1.57 -1.19 -1.89 116.57 115.56 1aq5 h LYS 31 Ca -0.20 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1aq5 h LYS 31 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1aq5 h LYS 31 CO -0.12 0.00 -0.75 1.25 -0.57 0.00 0.00 179.45 179.26 1aq5 h LEU 32 N 0.00 0.12 -1.25 2.94 5.85 -1.38 -1.36 115.31 120.23 1aq5 h LEU 32 Ca 0.00 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1aq5 h LEU 32 Cb 0.37 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1aq5 h LEU 32 CO 0.00 1.31 0.00 -0.08 -0.34 0.00 0.00 178.44 179.33 1aq5 h GLU 33 N -0.80 0.00 0.09 1.25 4.57 -1.28 -1.54 114.58 116.87 1aq5 h GLU 33 Ca -0.18 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.66 1aq5 h GLU 33 Cb 1.31 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 1aq5 h GLU 33 CO -0.04 0.00 -1.85 0.00 -1.18 0.00 0.00 179.01 175.95 1aq5 h ALA 34 N 2.12 0.50 -0.93 2.92 0.00 -1.42 -3.19 119.26 119.26 1aq5 h ALA 34 Ca 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 54.91 53.54 1aq5 h ALA 34 Cb 0.37 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1aq5 h ALA 34 CO 0.00 1.36 0.57 0.28 0.00 0.00 0.00 179.25 181.46 1aq5 h VAL 35 N 0.05 1.25 0.00 0.00 2.07 -0.66 0.14 116.25 119.10 1aq5 h VAL 35 Ca -0.36 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1aq5 h VAL 35 Cb 2.03 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1aq5 h VAL 35 CO 0.10 0.26 -0.27 0.00 0.02 0.00 0.00 177.57 177.67 1aq5 h ALA 36 N 1.36 1.50 -0.02 1.67 0.00 -1.40 -1.22 119.26 121.15 1aq5 h ALA 36 Ca 0.33 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1aq5 h ALA 36 Cb -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1aq5 h ALA 36 CO -0.07 0.34 -0.70 1.57 0.00 0.00 0.00 179.25 180.39 1aq5 h LYS 37 N 0.00 0.11 -0.08 0.00 2.10 -1.00 -2.68 116.57 115.02 1aq5 h LYS 37 Ca -0.00 -0.09 -0.22 0.00 -2.00 0.00 0.00 60.65 58.33 1aq5 h LYS 37 Cb 0.50 0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.85 1aq5 h LYS 37 CO 0.04 0.77 -0.85 0.00 -2.00 0.00 0.00 179.45 177.40 1aq5 h ARG 38 N 0.08 0.61 -0.58 0.07 3.08 -0.52 -2.31 114.38 114.81 1aq5 h ARG 38 Ca -0.01 -0.55 0.02 0.00 0.07 0.00 0.00 59.98 59.50 1aq5 h ARG 38 Cb 1.25 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.40 1aq5 h ARG 38 CO 0.10 1.17 0.37 0.82 -1.07 0.00 0.00 179.97 181.36 1aq5 h ILE 39 N 0.39 1.11 -0.50 2.04 1.08 -1.18 -0.14 117.51 120.31 1aq5 h ILE 39 Ca -0.07 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 1aq5 h ILE 39 Cb 1.47 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1aq5 h ILE 39 CO 0.16 0.14 0.22 -0.33 -0.69 0.00 0.00 178.15 177.64 1aq5 h GLU 40 N 0.74 0.72 -0.78 2.37 5.08 -1.42 0.05 114.58 121.34 1aq5 h GLU 40 Ca 0.22 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1aq5 h GLU 40 Cb -0.03 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 1aq5 h GLU 40 CO -0.07 0.58 0.51 0.00 -1.00 0.00 0.00 179.01 179.02 1aq5 h ALA 41 N 1.53 1.65 0.00 3.43 0.00 -0.46 0.12 119.26 125.53 1aq5 h ALA 41 Ca 0.17 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1aq5 h ALA 41 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1aq5 h ALA 41 CO -0.02 0.23 -0.59 -0.07 0.00 0.00 0.00 179.25 178.81 1aq5 h LEU 42 N 0.84 0.00 -0.90 0.00 -0.00 -0.46 -3.04 115.31 111.75 1aq5 h LEU 42 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 1aq5 h LEU 42 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1aq5 h LEU 42 CO -0.11 0.59 0.00 -0.33 -0.00 0.00 0.00 178.44 178.58 1aq5 h GLU 43 N 0.00 0.00 0.00 1.13 5.08 1.00 0.28 114.58 122.07 1aq5 h GLU 43 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1aq5 h GLU 43 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1aq5 h GLU 43 CO 0.08 0.00 -0.20 -0.91 -1.00 0.00 0.00 179.01 176.98 1aq5 h ASN 44 N 0.00 0.00 -0.00 1.42 2.35 -1.08 -0.58 115.58 117.68 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 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1aq5 h ASN 44 CO 0.00 0.20 -0.18 0.29 -1.65 0.00 0.00 177.43 176.09 1aq5 n LYS 45 N -3.28 5.42 -0.01 0.81 4.01 -0.86 -4.57 118.16 119.68 1aq5 n LYS 45 Ca 0.01 -0.04 0.09 0.00 -0.51 0.00 0.00 58.31 57.87 1aq5 n LYS 45 Cb 0.47 -0.70 -0.16 0.00 -0.51 0.00 0.00 35.03 34.13 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 -1.03 0.05 0.00 -0.18 2.08 0.92 -5.12 119.36 116.08 1aq5 n ILE 46 Ca 0.01 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 62.84 1aq5 n ILE 46 Cb 0.06 0.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.97 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11