#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 -0.66 -0.09 1.61 3.41 -1.26 -5.12 113.62 111.51 1aq5 n SER 2 Ca 0.00 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1aq5 n SER 2 Cb 0.00 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 1aq5 n SER 2 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1aq5 n HIS 3 N -0.33 -0.74 -2.92 7.33 -0.00 -1.26 -4.94 115.22 112.36 1aq5 n HIS 3 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1aq5 n HIS 3 Cb 0.33 0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 1aq5 n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1aq5 n MET 4 N -0.19 0.66 -0.19 -0.41 0.00 -1.26 -5.04 117.12 110.70 1aq5 n MET 4 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.80 1aq5 n MET 4 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 33.22 33.42 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 0.00 2.36 -4.21 2.12 4.07 -1.26 -4.99 120.64 118.73 1aq5 n GLU 5 Ca 0.00 -2.16 -0.18 0.00 -0.06 0.00 0.00 57.16 54.76 1aq5 n GLU 5 Cb 0.00 -1.44 -0.07 0.00 -0.06 0.00 0.00 31.44 29.87 1aq5 n GLU 5 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1aq5 s GLU 6 N -1.28 1.83 -0.99 5.31 -1.05 -1.26 -4.94 118.70 116.32 1aq5 s GLU 6 Ca 0.34 -1.93 -0.14 0.00 -0.15 0.00 0.00 54.97 53.09 1aq5 s GLU 6 Cb 0.20 0.37 0.01 0.00 -0.44 0.00 0.00 34.13 34.27 1aq5 s GLU 6 CO 0.27 -0.71 0.68 -3.47 0.95 0.00 0.00 175.26 172.98 1aq5 n ASP 7 N -1.52 -5.12 -0.03 0.83 -0.08 -1.26 -4.91 116.55 104.46 1aq5 n ASP 7 Ca 0.05 -0.97 -0.03 0.00 -1.51 0.00 0.00 54.79 52.34 1aq5 n ASP 7 Cb 0.62 -2.47 -0.02 0.00 2.34 0.00 0.00 41.12 41.58 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 -1.19 -0.05 -0.53 -0.67 0.13 -1.95 -3.38 132.00 124.37 1aq5 h PRO 8 Ca -0.59 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.30 1aq5 h PRO 8 Cb 1.35 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.34 1aq5 h PRO 8 CO 0.43 0.11 0.14 0.00 -0.23 0.00 0.00 178.00 178.44 1aq5 n GLU 10 N -0.98 -0.90 -0.36 0.00 4.71 -1.26 -4.71 120.64 117.13 1aq5 n GLU 10 Ca 0.39 0.24 0.29 0.00 -0.01 0.00 0.00 57.16 58.07 1aq5 n GLU 10 Cb 1.21 -3.35 0.55 0.00 -1.01 0.00 0.00 31.44 28.83 1aq5 n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1aq5 n LYS 12 N -4.92 1.90 0.05 0.00 4.76 -1.26 -4.52 118.16 114.17 1aq5 n LYS 12 Ca 0.33 -0.28 -0.10 0.00 -2.87 0.00 0.00 58.31 55.39 1aq5 n LYS 12 Cb 1.14 -0.77 -0.13 0.00 -1.84 0.00 0.00 35.03 33.44 1aq5 n LYS 12 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1aq5 h SER 13 N 0.00 0.12 0.44 4.39 0.02 -1.64 -0.12 113.55 116.75 1aq5 h SER 13 Ca 0.00 -0.15 -0.31 0.00 -0.84 0.00 0.00 61.79 60.49 1aq5 h SER 13 Cb 0.03 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 62.55 1aq5 h SER 13 CO 0.00 1.12 -1.40 0.40 -1.14 0.00 0.00 176.83 175.81 1aq5 h ILE 14 N 0.02 1.34 0.00 3.27 2.04 -1.72 -2.66 117.51 119.81 1aq5 h ILE 14 Ca -0.13 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 62.87 1aq5 h ILE 14 Cb 1.89 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 40.93 1aq5 h ILE 14 CO 0.13 0.85 -0.07 0.58 0.00 0.00 0.00 178.15 179.64 1aq5 h VAL 15 N 0.10 0.00 -0.16 1.67 2.07 -1.76 -2.09 116.25 116.09 1aq5 h VAL 15 Ca -0.21 -0.84 -0.15 0.00 0.82 0.00 0.00 66.70 66.32 1aq5 h VAL 15 Cb 2.06 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1aq5 h VAL 15 CO 0.23 0.00 -0.48 0.50 0.02 0.00 0.00 177.57 177.84 1aq5 h LYS 16 N 0.00 0.61 -0.03 1.57 1.63 -0.97 -2.61 116.57 116.77 1aq5 h LYS 16 Ca 0.00 -0.44 -0.11 0.00 -0.85 0.00 0.00 60.65 59.25 1aq5 h LYS 16 Cb 0.92 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.61 1aq5 h LYS 16 CO 0.00 1.06 -0.48 0.35 -3.45 0.00 0.00 179.45 176.93 1aq5 h PHE 17 N 0.26 0.09 -0.72 1.91 3.04 -1.40 -2.94 116.94 117.18 1aq5 h PHE 17 Ca -0.01 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.93 1aq5 h PHE 17 Cb 1.10 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.55 1aq5 h PHE 17 CO 0.10 0.54 0.47 1.96 -2.02 0.00 0.00 178.31 179.36 1aq5 h GLN 18 N 0.06 0.90 -0.52 1.11 4.20 -1.13 -1.09 115.11 118.64 1aq5 h GLN 18 Ca 0.00 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.72 1aq5 h GLN 18 Cb 0.88 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1aq5 h GLN 18 CO 0.07 0.60 0.35 1.15 -0.67 0.00 0.00 178.83 180.32 1aq5 h THR 19 N 0.93 0.96 -0.07 -0.54 2.02 -1.28 0.34 112.91 115.27 1aq5 h THR 19 Ca 0.28 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 1aq5 h THR 19 Cb -0.05 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1aq5 h THR 19 CO -0.08 0.08 -0.42 0.11 0.37 0.00 0.00 175.52 175.57 1aq5 h LYS 20 N 0.44 0.16 0.00 6.66 1.57 -1.26 -1.36 116.57 122.78 1aq5 h LYS 20 Ca 0.23 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1aq5 h LYS 20 Cb 0.34 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1aq5 h LYS 20 CO -0.06 0.56 0.00 0.28 -0.57 0.00 0.00 179.45 179.66 1aq5 h VAL 21 N 0.13 0.00 -0.04 0.50 2.07 0.06 -1.76 116.25 117.22 1aq5 h VAL 21 Ca 0.01 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 1aq5 h VAL 21 Cb 0.81 1.84 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1aq5 h VAL 21 CO 0.06 0.00 -0.38 -0.33 0.02 0.00 0.00 177.57 176.94 1aq5 h GLU 22 N 0.00 0.32 0.09 1.57 5.08 0.38 -1.73 114.58 120.29 1aq5 h GLU 22 Ca 0.00 -0.30 -0.25 0.00 -1.00 0.00 0.00 59.36 57.81 1aq5 h GLU 22 Cb 0.86 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1aq5 h GLU 22 CO 0.00 0.97 -1.16 0.93 -1.00 0.00 0.00 179.01 178.75 1aq5 h GLU 23 N -0.21 0.23 -0.18 2.33 5.08 -1.48 -2.72 114.58 117.63 1aq5 h GLU 23 Ca -0.04 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1aq5 h GLU 23 Cb 1.07 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1aq5 h GLU 23 CO 0.08 1.16 -0.07 1.25 -1.00 0.00 0.00 179.01 180.43 1aq5 h LEU 24 N 0.07 0.38 -0.59 1.33 7.12 -1.41 -1.40 115.31 120.81 1aq5 h LEU 24 Ca -0.10 -0.39 -0.02 0.00 0.13 0.00 0.00 57.88 57.50 1aq5 h LEU 24 Cb 1.88 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.88 1aq5 h LEU 24 CO 0.18 0.68 0.30 -0.29 -0.13 0.00 0.00 178.44 179.18 1aq5 h ILE 25 N 0.07 1.20 -0.96 4.05 2.10 -1.40 -1.55 117.51 121.03 1aq5 h ILE 25 Ca 0.04 -0.56 0.01 0.00 1.08 0.00 0.00 64.86 65.44 1aq5 h ILE 25 Cb 0.53 0.49 -0.05 0.00 -1.09 0.00 0.00 36.82 36.70 1aq5 h ILE 25 CO 0.02 0.23 0.63 -1.13 -1.08 0.00 0.00 178.15 176.83 1aq5 h ASN 26 N 0.80 1.09 0.10 2.19 -1.24 -1.39 -0.65 115.58 116.48 1aq5 h ASN 26 Ca 0.20 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.14 1aq5 h ASN 26 Cb 0.10 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.87 1aq5 h ASN 26 CO -0.03 0.79 -0.17 0.74 -1.29 0.00 0.00 177.43 177.46 1aq5 h THR 27 N 1.29 1.18 -0.20 -3.57 2.02 -0.58 -1.18 112.91 111.87 1aq5 h THR 27 Ca 0.35 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 1aq5 h THR 27 Cb -0.13 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1aq5 h THR 27 CO -0.08 0.25 -0.20 -0.07 0.37 0.00 0.00 175.52 175.79 1aq5 h LEU 28 N 0.15 0.53 -1.07 2.58 3.38 -0.17 -1.64 115.31 119.07 1aq5 h LEU 28 Ca 0.03 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1aq5 h LEU 28 Cb 0.40 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1aq5 h LEU 28 CO 0.03 0.90 0.00 -0.61 0.09 0.00 0.00 178.44 178.84 1aq5 h GLN 29 N 0.17 0.00 0.01 1.13 -0.00 -1.02 -1.28 115.11 114.12 1aq5 h GLN 29 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1aq5 h GLN 29 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.23 1aq5 h GLN 29 CO 0.05 0.00 -0.01 1.96 0.00 0.00 0.00 178.83 180.83 1aq5 h GLN 30 N 0.00 -0.02 0.00 1.69 1.08 -0.67 -1.88 115.11 115.31 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 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1aq5 h GLN 30 CO 0.00 0.66 0.00 0.87 -0.95 0.00 0.00 178.83 179.41 1aq5 h LYS 31 N -0.97 0.00 0.09 1.46 1.57 -1.16 -1.87 116.57 115.69 1aq5 h LYS 31 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1aq5 h LYS 31 Cb 0.69 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.02 1aq5 h LYS 31 CO 0.00 0.00 -0.55 1.25 -0.57 0.00 0.00 179.45 179.58 1aq5 h LEU 32 N 0.00 0.33 -1.10 2.94 5.85 -1.25 -0.15 115.31 121.94 1aq5 h LEU 32 Ca 0.00 -0.96 0.00 0.00 0.84 0.00 0.00 57.88 57.76 1aq5 h LEU 32 Cb 0.34 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1aq5 h LEU 32 CO 0.00 1.26 0.00 -0.08 -0.34 0.00 0.00 178.44 179.28 1aq5 h GLU 33 N -0.55 0.00 0.04 1.25 4.57 -1.01 -1.85 114.58 117.03 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 1.43 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.98 1aq5 h GLU 33 CO 0.10 0.00 -1.84 0.00 -1.18 0.00 0.00 179.01 176.10 1aq5 n ALA 34 N -1.91 1.29 -0.08 2.92 0.00 -0.73 -3.38 120.51 118.63 1aq5 n ALA 34 Ca 0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 53.44 52.70 1aq5 n ALA 34 Cb 0.25 -0.76 0.22 0.00 0.00 0.00 0.00 19.45 19.15 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 1.22 0.00 0.00 2.07 -0.45 -0.74 116.25 118.38 1aq5 h VAL 35 Ca -0.34 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 1aq5 h VAL 35 Cb 2.03 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1aq5 h VAL 35 CO 0.08 0.31 -0.33 0.00 0.02 0.00 0.00 177.57 177.65 1aq5 h ALA 36 N 1.37 1.09 -0.01 1.67 0.00 -1.46 -1.32 119.26 120.60 1aq5 h ALA 36 Ca 0.14 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1aq5 h ALA 36 Cb 0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1aq5 h ALA 36 CO 0.01 0.41 -0.81 0.87 0.00 0.00 0.00 179.25 179.74 1aq5 h LYS 37 N 0.00 0.12 0.02 0.00 1.57 -1.19 -2.57 116.57 114.51 1aq5 h LYS 37 Ca -0.00 -0.12 -0.25 0.00 -1.87 0.00 0.00 60.65 58.41 1aq5 h LYS 37 Cb 0.78 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.13 1aq5 h LYS 37 CO 0.04 0.86 -1.02 0.00 -0.57 0.00 0.00 179.45 178.76 1aq5 h ARG 38 N 0.07 0.54 -0.59 3.15 2.47 -0.86 -2.42 114.38 116.74 1aq5 h ARG 38 Ca -0.02 -0.60 0.02 0.00 -1.26 0.00 0.00 59.98 58.12 1aq5 h ARG 38 Cb 1.41 0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 29.87 1aq5 h ARG 38 CO 0.12 1.22 0.37 0.82 0.56 0.00 0.00 179.97 183.06 1aq5 h ILE 39 N 0.29 1.10 -0.44 2.04 1.08 -1.21 0.06 117.51 120.43 1aq5 h ILE 39 Ca -0.11 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 1aq5 h ILE 39 Cb 1.67 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.68 1aq5 h ILE 39 CO 0.19 0.14 0.12 -0.33 -0.69 0.00 0.00 178.15 177.58 1aq5 h GLU 40 N 0.75 0.64 -0.67 2.37 4.39 -1.43 0.21 114.58 120.83 1aq5 h GLU 40 Ca 0.23 -0.11 0.09 0.00 0.34 0.00 0.00 59.36 59.91 1aq5 h GLU 40 Cb -0.02 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 1aq5 h GLU 40 CO -0.08 0.57 0.45 0.00 -1.16 0.00 0.00 179.01 178.79 1aq5 h ALA 41 N 1.51 1.86 0.00 3.43 0.00 -0.48 0.17 119.26 125.75 1aq5 h ALA 41 Ca 0.15 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1aq5 h ALA 41 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1aq5 h ALA 41 CO -0.01 0.00 -0.79 -0.07 0.00 0.00 0.00 179.25 178.39 1aq5 h LEU 42 N 0.58 0.00 -0.74 0.00 -0.00 -0.46 -3.17 115.31 111.53 1aq5 h LEU 42 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1aq5 h LEU 42 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1aq5 h LEU 42 CO -0.10 0.50 0.00 -0.33 -0.00 0.00 0.00 178.44 178.51 1aq5 h GLU 43 N 0.00 0.00 0.00 1.13 5.08 0.11 0.29 114.58 121.20 1aq5 h GLU 43 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1aq5 h GLU 43 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1aq5 h GLU 43 CO 0.06 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.16 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 4.21 -0.94 -0.04 115.58 120.23 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 0.69 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 1aq5 h ASN 44 CO 0.00 0.00 -0.58 0.29 -1.29 0.00 0.00 177.43 175.85 1aq5 n LYS 45 N -2.60 3.58 -0.01 0.81 4.76 -0.89 -4.54 118.16 119.27 1aq5 n LYS 45 Ca 0.04 -0.02 0.10 0.00 -2.87 0.00 0.00 58.31 55.56 1aq5 n LYS 45 Cb 0.42 -0.88 -0.15 0.00 -1.84 0.00 0.00 35.03 32.58 1aq5 n LYS 45 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1aq5 n ILE 46 N -1.31 0.00 0.39 -0.18 2.08 0.98 -5.11 119.36 116.20 1aq5 n ILE 46 Ca 0.00 -0.36 0.03 0.00 0.56 0.00 0.00 62.75 62.98 1aq5 n ILE 46 Cb 0.10 0.26 0.18 0.00 -0.75 0.00 0.00 39.64 39.44 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11