#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 0.60 -4.92 1.61 7.64 -1.26 -4.91 113.62 112.38 1aq5 n SER 2 Ca 0.00 -0.27 -0.30 0.00 1.01 0.00 0.00 58.87 59.31 1aq5 n SER 2 Cb 0.00 0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 64.08 1aq5 n SER 2 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1aq5 s HIS 3 N -3.21 3.51 -1.13 1.43 5.04 -1.26 -5.02 115.29 114.65 1aq5 s HIS 3 Ca 0.03 0.28 -0.19 0.00 -1.54 0.00 0.00 55.06 53.65 1aq5 s HIS 3 Cb 0.14 -1.79 0.09 0.00 0.04 0.00 0.00 32.58 31.07 1aq5 s HIS 3 CO 0.82 0.55 1.49 1.41 -2.34 0.00 0.00 174.74 176.66 1aq5 s MET 4 N -2.65 3.82 0.64 2.88 -2.45 -1.26 -4.99 119.30 115.29 1aq5 s MET 4 Ca 0.36 -1.80 -0.09 0.00 -1.25 0.00 0.00 55.69 52.91 1aq5 s MET 4 Cb -0.13 -5.29 0.14 0.00 1.25 0.00 0.00 34.83 30.81 1aq5 s MET 4 CO 0.28 -2.07 0.87 -1.91 1.05 0.00 0.00 175.02 173.23 1aq5 n GLU 5 N 7.71 -0.66 -4.55 4.11 2.13 -1.26 -5.11 120.64 123.01 1aq5 n GLU 5 Ca 0.37 -1.53 -0.30 0.00 0.66 0.00 0.00 57.16 56.37 1aq5 n GLU 5 Cb 0.47 -0.83 -0.07 0.00 0.27 0.00 0.00 31.44 31.28 1aq5 n GLU 5 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1aq5 s GLU 6 N -4.83 2.15 -0.31 5.31 2.12 -1.26 -5.10 118.70 116.78 1aq5 s GLU 6 Ca 0.51 -2.23 -0.03 0.00 0.36 0.00 0.00 54.97 53.57 1aq5 s GLU 6 Cb -0.02 -1.68 0.28 0.00 0.26 0.00 0.00 34.13 32.97 1aq5 s GLU 6 CO 0.35 -0.30 1.27 -3.47 -0.54 0.00 0.00 175.26 172.57 1aq5 n ASP 7 N -1.26 -1.14 0.07 -1.70 -0.08 -1.26 -5.01 116.55 106.17 1aq5 n ASP 7 Ca -0.12 -1.60 -0.04 0.00 -1.51 0.00 0.00 54.79 51.52 1aq5 n ASP 7 Cb 0.66 0.60 -0.02 0.00 2.34 0.00 0.00 41.12 44.70 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 3.10 -0.23 -0.79 -0.67 0.13 -2.04 -3.38 132.00 128.13 1aq5 h PRO 8 Ca -0.24 0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.36 1aq5 h PRO 8 Cb 1.22 0.05 -0.35 0.00 0.13 0.00 0.00 31.00 32.05 1aq5 h PRO 8 CO -0.24 -0.15 -0.22 0.00 -0.23 0.00 0.00 178.00 177.15 1aq5 n GLU 10 N -0.82 -1.64 -0.10 0.00 1.02 -1.26 -4.74 120.64 113.11 1aq5 n GLU 10 Ca 0.49 0.19 0.25 0.00 -0.02 0.00 0.00 57.16 58.07 1aq5 n GLU 10 Cb 0.88 -3.85 0.71 0.00 -0.02 0.00 0.00 31.44 29.16 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 -4.24 4.72 0.11 0.00 4.01 -1.26 -4.42 118.16 117.08 1aq5 n LYS 12 Ca 0.15 -0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.93 1aq5 n LYS 12 Cb 0.82 -0.69 0.01 0.00 -0.51 0.00 0.00 35.03 34.66 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 0.14 4.39 0.02 -1.71 0.27 113.55 116.66 1aq5 h SER 13 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1aq5 h SER 13 Cb 0.04 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.59 1aq5 h SER 13 CO 0.00 0.69 -1.00 0.40 -1.14 0.00 0.00 176.83 175.78 1aq5 h ILE 14 N 0.00 1.37 0.00 3.27 2.04 -1.54 -2.58 117.51 120.08 1aq5 h ILE 14 Ca -0.01 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.35 1aq5 h ILE 14 Cb 1.47 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 40.61 1aq5 h ILE 14 CO 0.09 0.71 0.00 0.58 0.00 0.00 0.00 178.15 179.53 1aq5 h VAL 15 N -0.34 0.00 -0.10 1.67 2.07 -1.76 -2.27 116.25 115.51 1aq5 h VAL 15 Ca -0.19 -0.77 -0.12 0.00 0.82 0.00 0.00 66.70 66.44 1aq5 h VAL 15 Cb 1.69 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1aq5 h VAL 15 CO 0.13 0.00 -0.40 0.50 0.02 0.00 0.00 177.57 177.81 1aq5 h LYS 16 N 0.00 0.45 -0.07 1.57 1.63 -0.97 -2.63 116.57 116.55 1aq5 h LYS 16 Ca 0.00 -0.35 -0.03 0.00 -0.85 0.00 0.00 60.65 59.42 1aq5 h LYS 16 Cb 0.77 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1aq5 h LYS 16 CO 0.00 0.98 -0.10 0.35 -3.45 0.00 0.00 179.45 177.23 1aq5 h PHE 17 N 0.02 0.11 -0.68 1.91 3.04 -1.28 -1.97 116.94 118.09 1aq5 h PHE 17 Ca -0.02 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1aq5 h PHE 17 Cb 1.04 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.48 1aq5 h PHE 17 CO 0.12 0.22 0.39 1.96 -2.02 0.00 0.00 178.31 178.98 1aq5 h GLN 18 N 0.11 0.94 -0.48 1.11 4.20 -1.09 -1.15 115.11 118.74 1aq5 h GLN 18 Ca 0.02 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.69 1aq5 h GLN 18 Cb 0.26 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1aq5 h GLN 18 CO 0.02 0.69 0.32 1.15 -0.67 0.00 0.00 178.83 180.34 1aq5 h THR 19 N 0.93 0.99 -0.03 -0.54 2.02 -1.01 0.35 112.91 115.63 1aq5 h THR 19 Ca 0.24 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.17 1aq5 h THR 19 Cb 0.01 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1aq5 h THR 19 CO -0.04 0.08 -0.44 0.11 0.37 0.00 0.00 175.52 175.60 1aq5 h LYS 20 N 0.45 0.06 0.00 6.66 1.57 -1.15 -1.26 116.57 122.89 1aq5 h LYS 20 Ca 0.21 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1aq5 h LYS 20 Cb 0.25 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1aq5 h LYS 20 CO -0.05 0.49 -0.00 0.28 -0.57 0.00 0.00 179.45 179.59 1aq5 h VAL 21 N 0.05 0.00 0.00 0.50 2.07 0.25 -2.31 116.25 116.80 1aq5 h VAL 21 Ca 0.00 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 1aq5 h VAL 21 Cb 0.79 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1aq5 h VAL 21 CO 0.06 0.00 -0.40 -0.33 0.02 0.00 0.00 177.57 176.92 1aq5 h GLU 22 N 0.00 0.27 -0.01 1.57 4.39 0.43 -1.38 114.58 119.86 1aq5 h GLU 22 Ca 0.00 -0.29 -0.15 0.00 0.34 0.00 0.00 59.36 59.25 1aq5 h GLU 22 Cb 0.84 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1aq5 h GLU 22 CO 0.00 1.00 -0.72 0.93 -1.16 0.00 0.00 179.01 179.06 1aq5 h GLU 23 N -0.34 0.04 -0.14 2.33 5.08 -1.48 -2.57 114.58 117.49 1aq5 h GLU 23 Ca -0.05 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1aq5 h GLU 23 Cb 1.14 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1aq5 h GLU 23 CO 0.08 0.74 -0.20 1.25 -1.00 0.00 0.00 179.01 179.88 1aq5 h LEU 24 N 0.02 0.43 -1.17 1.33 7.12 -1.46 -1.73 115.31 119.85 1aq5 h LEU 24 Ca -0.01 -0.52 -0.04 0.00 0.13 0.00 0.00 57.88 57.44 1aq5 h LEU 24 Cb 1.27 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 1aq5 h LEU 24 CO 0.10 0.86 0.13 0.40 -0.13 0.00 0.00 178.44 179.80 1aq5 h ILE 25 N 0.00 1.20 -0.42 4.05 5.03 -1.25 -1.33 117.51 124.79 1aq5 h ILE 25 Ca 0.02 -0.70 -0.09 0.00 -0.12 0.00 0.00 64.86 63.96 1aq5 h ILE 25 Cb 0.77 0.70 -0.01 0.00 -3.03 0.00 0.00 36.82 35.25 1aq5 h ILE 25 CO 0.05 0.26 -0.08 -1.13 -0.68 0.00 0.00 178.15 176.57 1aq5 h ASN 26 N 0.69 0.79 0.06 1.72 -0.73 -1.37 -1.83 115.58 114.91 1aq5 h ASN 26 Ca 0.16 -0.35 -0.04 0.00 1.87 0.00 0.00 56.30 57.94 1aq5 h ASN 26 Cb 0.24 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 1aq5 h ASN 26 CO -0.01 0.96 -0.12 0.74 -0.37 0.00 0.00 177.43 178.64 1aq5 h THR 27 N 0.62 1.14 -0.08 -3.57 2.02 -0.80 -0.80 112.91 111.43 1aq5 h THR 27 Ca 0.11 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 1aq5 h THR 27 Cb 0.60 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1aq5 h THR 27 CO 0.04 0.19 -0.19 -0.07 0.37 0.00 0.00 175.52 175.86 1aq5 h LEU 28 N 0.14 0.31 -0.70 2.58 3.38 -0.87 -1.67 115.31 118.49 1aq5 h LEU 28 Ca 0.03 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1aq5 h LEU 28 Cb 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1aq5 h LEU 28 CO 0.02 0.83 0.00 1.67 0.09 0.00 0.00 178.44 181.05 1aq5 n GLN 29 N -4.55 0.15 -0.07 1.13 0.00 -0.72 -1.35 117.38 111.97 1aq5 n GLN 29 Ca -0.08 0.44 -0.12 0.00 -0.00 0.00 0.00 57.00 57.25 1aq5 n GLN 29 Cb 0.41 -1.82 -0.09 0.00 0.00 0.00 0.00 30.24 28.74 1aq5 n GLN 29 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1aq5 h GLN 30 N 0.00 0.00 0.00 3.69 1.08 -0.81 -2.29 115.11 116.79 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 0.27 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1aq5 h GLN 30 CO 0.00 0.72 -0.00 0.87 -0.95 0.00 0.00 178.83 179.47 1aq5 h LYS 31 N -1.00 0.00 0.03 1.46 1.57 -1.12 -1.75 116.57 115.76 1aq5 h LYS 31 Ca -0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1aq5 h LYS 31 Cb 0.81 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.13 1aq5 h LYS 31 CO -0.04 0.00 -0.26 1.25 -0.57 0.00 0.00 179.45 179.84 1aq5 h LEU 32 N 0.00 0.17 -0.86 2.94 5.85 -1.27 -1.39 115.31 120.74 1aq5 h LEU 32 Ca -0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 1aq5 h LEU 32 Cb 0.28 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1aq5 h LEU 32 CO 0.00 1.07 0.00 -0.08 -0.34 0.00 0.00 178.44 179.09 1aq5 h GLU 33 N -0.71 0.00 0.02 1.25 4.81 -1.07 -1.98 114.58 116.90 1aq5 h GLU 33 Ca -0.04 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.88 1aq5 h GLU 33 Cb 1.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 1aq5 h GLU 33 CO 0.05 0.00 -1.77 0.00 -0.73 0.00 0.00 179.01 176.56 1aq5 n ALA 34 N -1.80 1.40 -0.22 2.92 0.00 -0.69 -3.29 120.51 118.82 1aq5 n ALA 34 Ca 0.02 -0.75 -0.09 0.00 0.00 0.00 0.00 53.44 52.62 1aq5 n ALA 34 Cb 0.21 -0.81 0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 0.01 1.26 0.00 0.00 2.07 -0.54 -1.59 116.25 117.47 1aq5 h VAL 35 Ca -0.31 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 1aq5 h VAL 35 Cb 2.02 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1aq5 h VAL 35 CO 0.08 0.40 -0.30 0.00 0.02 0.00 0.00 177.57 177.77 1aq5 h ALA 36 N 1.02 1.35 0.00 1.67 0.00 -1.52 -1.01 119.26 120.78 1aq5 h ALA 36 Ca 0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1aq5 h ALA 36 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1aq5 h ALA 36 CO 0.02 0.38 -0.38 0.87 0.00 0.00 0.00 179.25 180.13 1aq5 h LYS 37 N 0.00 0.00 0.06 0.00 1.57 -1.35 -2.70 116.57 114.16 1aq5 h LYS 37 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1aq5 h LYS 37 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1aq5 h LYS 37 CO 0.04 0.38 -1.35 0.00 -0.57 0.00 0.00 179.45 177.95 1aq5 h ARG 38 N 0.00 0.14 -0.50 3.15 2.47 -0.58 -3.00 114.38 116.06 1aq5 h ARG 38 Ca -0.00 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.47 1aq5 h ARG 38 Cb 1.09 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 1aq5 h ARG 38 CO 0.05 1.00 0.26 0.82 0.56 0.00 0.00 179.97 182.66 1aq5 h ILE 39 N 0.04 1.18 -0.12 2.04 1.08 -1.11 -0.88 117.51 119.74 1aq5 h ILE 39 Ca -0.16 -0.48 -0.05 0.00 -0.39 0.00 0.00 64.86 63.78 1aq5 h ILE 39 Cb 1.93 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.26 1aq5 h ILE 39 CO 0.15 0.19 -0.16 1.05 -0.69 0.00 0.00 178.15 178.69 1aq5 h GLU 40 N 0.66 0.18 -0.77 2.37 -0.00 -1.56 -0.51 114.58 114.96 1aq5 h GLU 40 Ca 0.17 -0.04 0.05 0.00 -0.00 0.00 0.00 59.36 59.54 1aq5 h GLU 40 Cb 0.08 -0.02 -0.05 0.00 -0.00 0.00 0.00 28.75 28.76 1aq5 h GLU 40 CO -0.03 0.35 0.50 0.00 -0.00 0.00 0.00 179.01 179.84 1aq5 h ALA 41 N 1.67 1.61 0.01 1.06 0.00 -1.03 0.99 119.26 123.57 1aq5 h ALA 41 Ca 0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1aq5 h ALA 41 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1aq5 h ALA 41 CO 0.02 0.29 -0.90 -0.07 0.00 0.00 0.00 179.25 178.59 1aq5 h LEU 42 N 0.87 0.11 -1.31 0.00 -0.00 -0.59 -3.00 115.31 111.39 1aq5 h LEU 42 Ca 0.32 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 1aq5 h LEU 42 Cb 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1aq5 h LEU 42 CO -0.10 0.95 0.00 -0.33 -0.00 0.00 0.00 178.44 178.96 1aq5 h GLU 43 N 0.04 0.00 0.00 1.13 5.08 0.48 0.12 114.58 121.43 1aq5 h GLU 43 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1aq5 h GLU 43 Cb 1.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 1aq5 h GLU 43 CO 0.13 0.00 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.15 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 -0.26 -0.77 -0.52 115.58 115.46 1aq5 h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1aq5 h ASN 44 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1aq5 h ASN 44 CO 0.00 0.08 -1.01 0.29 -1.06 0.00 0.00 177.43 175.72 1aq5 n LYS 45 N -3.17 1.72 0.03 0.81 4.01 -0.78 -4.53 118.16 116.26 1aq5 n LYS 45 Ca 0.01 -0.05 0.11 0.00 -0.51 0.00 0.00 58.31 57.88 1aq5 n LYS 45 Cb 0.41 -1.08 -0.08 0.00 -0.51 0.00 0.00 35.03 33.77 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 -1.57 0.20 1.19 -0.18 2.08 0.33 -5.13 119.36 116.28 1aq5 n ILE 46 Ca -0.00 -0.43 0.10 0.00 0.56 0.00 0.00 62.75 62.97 1aq5 n ILE 46 Cb 0.18 0.02 0.57 0.00 -0.75 0.00 0.00 39.64 39.65 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11