#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 4.31 -0.39 1.61 0.01 -1.26 -5.06 113.70 112.92 1aq5 s SER 2 Ca 0.00 -0.75 0.09 0.00 1.31 0.00 0.00 55.95 56.60 1aq5 s SER 2 Cb 0.00 -0.71 0.38 0.00 0.21 0.00 0.00 66.02 65.90 1aq5 s SER 2 CO 0.00 0.00 1.35 0.00 0.41 0.00 0.00 173.24 175.01 1aq5 n HIS 3 N -0.83 -2.38 -0.89 2.43 1.44 -1.26 -5.14 115.22 108.58 1aq5 n HIS 3 Ca -0.06 -1.86 -0.02 0.00 -2.01 0.00 0.00 57.72 53.76 1aq5 n HIS 3 Cb 0.59 1.59 0.02 0.00 0.12 0.00 0.00 29.99 32.31 1aq5 n HIS 3 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1aq5 n MET 4 N -0.62 -0.44 0.00 -1.40 2.00 -1.26 -5.06 117.12 110.35 1aq5 n MET 4 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.52 1aq5 n MET 4 Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 33.22 33.96 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 -1.37 0.00 -4.36 0.03 1.02 -1.26 -5.04 120.64 109.66 1aq5 n GLU 5 Ca 0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.97 1aq5 n GLU 5 Cb 0.04 -0.20 -0.10 0.00 -0.02 0.00 0.00 31.44 31.16 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 0.00 1.39 -1.16 3.49 2.02 -1.26 -4.85 118.70 118.33 1aq5 s GLU 6 Ca 0.00 -1.69 -0.17 0.00 0.02 0.00 0.00 54.97 53.13 1aq5 s GLU 6 Cb 0.00 -0.82 -0.01 0.00 0.10 0.00 0.00 34.13 33.39 1aq5 s GLU 6 CO 0.00 -0.03 0.77 -3.47 0.02 0.00 0.00 175.26 172.55 1aq5 n ASP 7 N -0.46 -4.73 0.08 -0.19 2.03 -1.26 -4.92 116.55 107.10 1aq5 n ASP 7 Ca -0.06 -0.98 -0.09 0.00 0.52 0.00 0.00 54.79 54.18 1aq5 n ASP 7 Cb 0.63 -3.52 -0.06 0.00 -0.72 0.00 0.00 41.12 37.45 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 -1.84 -0.28 -0.58 -0.67 0.13 -1.96 -3.38 132.00 123.43 1aq5 h PRO 8 Ca -0.66 0.02 -0.42 0.00 -0.87 0.00 0.00 66.00 64.07 1aq5 h PRO 8 Cb 1.36 0.06 -0.35 0.00 0.13 0.00 0.00 31.00 32.21 1aq5 h PRO 8 CO 0.50 0.06 -0.78 0.00 -0.23 0.00 0.00 178.00 177.54 1aq5 n GLU 10 N -0.77 -2.57 -0.15 0.00 1.02 -1.26 -4.70 120.64 112.21 1aq5 n GLU 10 Ca 0.37 0.31 0.28 0.00 -0.02 0.00 0.00 57.16 58.10 1aq5 n GLU 10 Cb 0.91 -5.01 0.60 0.00 -0.02 0.00 0.00 31.44 27.92 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 -3.52 5.74 0.09 0.00 5.02 -1.26 -4.53 118.16 119.69 1aq5 n LYS 12 Ca 0.19 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.46 1aq5 n LYS 12 Cb 1.23 -0.43 -0.05 0.00 -0.02 0.00 0.00 35.03 35.75 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 0.00 0.51 4.39 0.02 -1.22 -0.77 113.55 116.48 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 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1aq5 h SER 13 CO 0.00 0.74 -1.46 0.40 -1.14 0.00 0.00 176.83 175.36 1aq5 h ILE 14 N 0.00 1.23 0.00 3.27 2.04 -1.57 -2.68 117.51 119.79 1aq5 h ILE 14 Ca -0.04 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.96 1aq5 h ILE 14 Cb 1.59 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 40.46 1aq5 h ILE 14 CO 0.09 0.82 -0.53 0.58 0.00 0.00 0.00 178.15 179.12 1aq5 h VAL 15 N 0.06 0.00 -0.08 1.67 2.07 -1.77 -2.23 116.25 115.97 1aq5 h VAL 15 Ca -0.21 -0.96 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 1aq5 h VAL 15 Cb 2.00 1.69 0.01 0.00 -1.52 0.00 0.00 31.29 33.46 1aq5 h VAL 15 CO 0.16 0.00 -0.44 0.50 0.02 0.00 0.00 177.57 177.82 1aq5 h LYS 16 N 0.00 0.44 -0.15 1.57 3.11 -1.19 -2.65 116.57 117.71 1aq5 h LYS 16 Ca 0.00 -0.36 -0.11 0.00 -2.81 0.00 0.00 60.65 57.37 1aq5 h LYS 16 Cb 0.98 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.28 1aq5 h LYS 16 CO 0.00 1.00 -0.39 0.35 -2.81 0.00 0.00 179.45 177.60 1aq5 h PHE 17 N -0.01 0.37 -0.91 1.91 3.57 -1.52 -2.67 116.94 117.68 1aq5 h PHE 17 Ca -0.03 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.45 1aq5 h PHE 17 Cb 1.09 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.68 1aq5 h PHE 17 CO 0.12 0.66 0.56 1.96 -2.23 0.00 0.00 178.31 179.39 1aq5 h GLN 18 N 0.27 0.95 -0.61 1.11 4.20 -1.26 0.71 115.11 120.49 1aq5 h GLN 18 Ca 0.03 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.75 1aq5 h GLN 18 Cb 0.80 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1aq5 h GLN 18 CO 0.06 0.63 0.40 1.15 -0.67 0.00 0.00 178.83 180.41 1aq5 h THR 19 N 0.98 0.98 -0.27 -0.54 2.02 -1.11 0.23 112.91 115.21 1aq5 h THR 19 Ca 0.42 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.33 1aq5 h THR 19 Cb 0.27 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1aq5 h THR 19 CO -0.21 0.10 -0.15 0.11 0.37 0.00 0.00 175.52 175.74 1aq5 h LYS 20 N 0.56 0.46 0.00 6.66 1.57 -0.89 -1.00 116.57 123.93 1aq5 h LYS 20 Ca 0.27 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1aq5 h LYS 20 Cb 0.33 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1aq5 h LYS 20 CO -0.08 0.61 -0.04 0.28 -0.57 0.00 0.00 179.45 179.65 1aq5 h VAL 21 N 0.43 0.08 -0.02 0.50 2.07 -0.28 -1.56 116.25 117.46 1aq5 h VAL 21 Ca 0.08 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1aq5 h VAL 21 Cb 0.52 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1aq5 h VAL 21 CO 0.03 0.04 -0.09 -0.33 0.02 0.00 0.00 177.57 177.25 1aq5 h GLU 22 N 0.00 0.09 0.03 1.57 5.08 0.50 -0.86 114.58 121.00 1aq5 h GLU 22 Ca -0.00 -0.07 -0.28 0.00 -1.00 0.00 0.00 59.36 58.01 1aq5 h GLU 22 Cb 0.89 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.18 1aq5 h GLU 22 CO 0.01 0.73 -1.10 1.05 -1.00 0.00 0.00 179.01 178.69 1aq5 h GLU 23 N -0.52 0.68 -0.55 2.33 4.11 -1.47 -2.83 114.58 116.33 1aq5 h GLU 23 Ca -0.01 -0.78 -0.08 0.00 0.07 0.00 0.00 59.36 58.57 1aq5 h GLU 23 Cb 0.74 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1aq5 h GLU 23 CO 0.02 1.34 0.04 1.25 0.07 0.00 0.00 179.01 181.73 1aq5 h LEU 24 N 0.36 0.88 -0.12 3.06 5.85 -1.38 -0.75 115.31 123.21 1aq5 h LEU 24 Ca -0.15 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1aq5 h LEU 24 Cb 1.76 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1aq5 h LEU 24 CO 0.22 0.92 0.07 0.40 -0.34 0.00 0.00 178.44 179.70 1aq5 h ILE 25 N 0.86 1.09 -0.31 4.05 1.08 -1.17 -0.11 117.51 122.99 1aq5 h ILE 25 Ca 0.17 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1aq5 h ILE 25 Cb 0.46 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1aq5 h ILE 25 CO 0.02 0.08 0.21 -1.13 -0.69 0.00 0.00 178.15 176.63 1aq5 h ASN 26 N 0.10 0.36 0.36 1.72 -1.24 -1.24 0.13 115.58 115.78 1aq5 h ASN 26 Ca 0.04 -0.01 -0.08 0.00 0.71 0.00 0.00 56.30 56.96 1aq5 h ASN 26 Cb 0.07 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1aq5 h ASN 26 CO -0.01 0.27 -0.38 0.74 -1.29 0.00 0.00 177.43 176.76 1aq5 h THR 27 N 0.43 1.28 -0.01 -3.57 2.02 -0.03 0.23 112.91 113.26 1aq5 h THR 27 Ca 0.12 -1.32 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 1aq5 h THR 27 Cb -0.04 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1aq5 h THR 27 CO -0.02 0.38 -0.11 -0.07 0.37 0.00 0.00 175.52 176.06 1aq5 h LEU 28 N 0.02 0.11 -0.52 2.58 3.38 0.78 -1.76 115.31 119.90 1aq5 h LEU 28 Ca -0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1aq5 h LEU 28 Cb 0.68 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1aq5 h LEU 28 CO 0.05 0.84 0.00 1.67 0.09 0.00 0.00 178.44 181.09 1aq5 n GLN 29 N -4.63 0.11 -0.08 1.13 7.27 -0.66 -1.22 117.38 119.31 1aq5 n GLN 29 Ca -0.09 0.40 -0.13 0.00 0.07 0.00 0.00 57.00 57.25 1aq5 n GLN 29 Cb 0.42 -1.74 -0.09 0.00 2.41 0.00 0.00 30.24 31.25 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 -0.81 -2.27 115.11 116.81 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 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1aq5 h GLN 30 CO 0.00 0.67 0.00 0.87 -0.95 0.00 0.00 178.83 179.42 1aq5 h LYS 31 N -1.00 0.00 0.08 1.46 1.79 -1.14 -1.70 116.57 116.06 1aq5 h LYS 31 Ca -0.12 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.19 1aq5 h LYS 31 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1aq5 h LYS 31 CO -0.07 0.00 -0.78 1.25 -1.08 0.00 0.00 179.45 178.76 1aq5 h LEU 32 N 0.00 0.28 -1.47 2.94 5.85 -1.24 -1.39 115.31 120.29 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 0.23 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1aq5 h LEU 32 CO 0.00 1.35 0.00 -0.08 -0.34 0.00 0.00 178.44 179.37 1aq5 h GLU 33 N -0.58 0.00 0.04 1.25 4.81 -0.94 -0.95 114.58 118.20 1aq5 h GLU 33 Ca -0.16 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.75 1aq5 h GLU 33 Cb 1.47 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.81 1aq5 h GLU 33 CO 0.05 0.00 -1.83 0.00 -0.73 0.00 0.00 179.01 176.51 1aq5 n ALA 34 N -1.94 1.30 0.03 2.92 0.00 -0.68 -3.39 120.51 118.76 1aq5 n ALA 34 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 53.44 52.68 1aq5 n ALA 34 Cb 0.20 -0.77 0.22 0.00 0.00 0.00 0.00 19.45 19.09 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 1.27 0.00 0.00 2.07 -0.35 -1.63 116.25 117.64 1aq5 h VAL 35 Ca -0.34 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 65.82 1aq5 h VAL 35 Cb 2.03 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1aq5 h VAL 35 CO 0.08 0.40 -0.37 0.00 0.02 0.00 0.00 177.57 177.70 1aq5 h ALA 36 N 1.34 0.99 0.01 1.67 0.00 -1.32 -1.42 119.26 120.53 1aq5 h ALA 36 Ca 0.05 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1aq5 h ALA 36 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1aq5 h ALA 36 CO 0.05 0.46 -0.91 0.87 0.00 0.00 0.00 179.25 179.72 1aq5 h LYS 37 N 0.00 0.17 -0.09 0.00 1.57 -1.38 -2.73 116.57 114.12 1aq5 h LYS 37 Ca -0.00 -0.20 -0.20 0.00 -1.87 0.00 0.00 60.65 58.37 1aq5 h LYS 37 Cb 0.90 0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.28 1aq5 h LYS 37 CO 0.05 0.97 -0.73 0.00 -0.57 0.00 0.00 179.45 179.16 1aq5 h ARG 38 N 0.09 0.66 -0.68 3.15 2.47 -1.06 -2.56 114.38 116.44 1aq5 h ARG 38 Ca -0.05 -0.59 0.09 0.00 -1.26 0.00 0.00 59.98 58.18 1aq5 h ARG 38 Cb 1.56 0.14 -0.07 0.00 -1.65 0.00 0.00 29.97 29.94 1aq5 h ARG 38 CO 0.14 1.20 0.32 0.82 0.56 0.00 0.00 179.97 183.00 1aq5 h ILE 39 N 0.32 0.82 -0.39 2.04 1.08 -1.27 0.38 117.51 120.50 1aq5 h ILE 39 Ca -0.07 -0.19 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1aq5 h ILE 39 Cb 1.38 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1aq5 h ILE 39 CO 0.15 0.10 0.13 -0.33 -0.69 0.00 0.00 178.15 177.51 1aq5 h GLU 40 N 0.55 0.56 -0.56 2.37 4.39 -1.42 0.61 114.58 121.07 1aq5 h GLU 40 Ca 0.34 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.98 1aq5 h GLU 40 Cb 0.37 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1aq5 h GLU 40 CO -0.28 0.49 0.37 0.00 -1.16 0.00 0.00 179.01 178.43 1aq5 h ALA 41 N 1.59 1.68 0.00 3.43 0.00 0.16 0.10 119.26 126.21 1aq5 h ALA 41 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1aq5 h ALA 41 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1aq5 h ALA 41 CO -0.01 0.27 -0.59 -0.07 0.00 0.00 0.00 179.25 178.85 1aq5 h LEU 42 N 0.69 0.00 -0.98 0.00 -0.00 -0.24 -3.18 115.31 111.60 1aq5 h LEU 42 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 1aq5 h LEU 42 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1aq5 h LEU 42 CO -0.06 0.29 0.00 -0.33 -0.00 0.00 0.00 178.44 178.34 1aq5 h GLU 43 N 0.00 0.00 0.00 1.13 5.08 0.99 0.16 114.58 121.94 1aq5 h GLU 43 Ca -0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1aq5 h GLU 43 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1aq5 h GLU 43 CO 0.03 0.00 -0.22 -0.91 -1.00 0.00 0.00 179.01 176.91 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 4.21 -1.28 1.00 115.58 120.93 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 0.61 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1aq5 h ASN 44 CO 0.00 0.22 -0.70 0.29 -1.29 0.00 0.00 177.43 175.95 1aq5 n LYS 45 N -3.34 3.01 -0.00 0.81 4.01 -0.93 -4.50 118.16 117.22 1aq5 n LYS 45 Ca 0.00 -0.02 0.08 0.00 -0.51 0.00 0.00 58.31 57.86 1aq5 n LYS 45 Cb 0.45 -0.99 -0.11 0.00 -0.51 0.00 0.00 35.03 33.87 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 -1.38 0.00 0.12 -0.18 2.08 0.52 -5.13 119.36 115.38 1aq5 n ILE 46 Ca 0.01 -0.15 0.01 0.00 0.56 0.00 0.00 62.75 63.18 1aq5 n ILE 46 Cb 0.16 0.83 0.01 0.00 -0.75 0.00 0.00 39.64 39.90 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11