#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 -1.39 -1.28 1.61 3.41 -1.26 -5.16 113.62 109.55 1aq5 n SER 2 Ca 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1aq5 n SER 2 Cb 0.00 1.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 1aq5 n SER 2 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1aq5 n HIS 3 N -3.13 -3.54 -1.54 7.33 -0.00 -1.26 -4.49 115.22 108.59 1aq5 n HIS 3 Ca 0.00 1.90 -0.32 0.00 -0.00 0.00 0.00 57.72 59.30 1aq5 n HIS 3 Cb 0.00 -3.03 -0.06 0.00 -0.00 0.00 0.00 29.99 26.90 1aq5 n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1aq5 n MET 4 N -1.29 0.79 -2.87 1.57 2.00 -1.26 -4.77 117.12 111.29 1aq5 n MET 4 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 57.70 57.49 1aq5 n MET 4 Cb 0.10 -3.18 -0.00 0.00 0.00 0.00 0.00 33.22 30.13 1aq5 n MET 4 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1aq5 s GLU 5 N 8.46 1.03 -0.21 0.03 -6.30 -1.26 -5.12 118.70 115.32 1aq5 s GLU 5 Ca 1.03 -1.05 -0.02 0.00 -2.50 0.00 0.00 54.97 52.43 1aq5 s GLU 5 Cb -0.32 -0.15 0.00 0.00 0.00 0.00 0.00 34.13 33.66 1aq5 s GLU 5 CO 0.27 -1.32 -0.09 -2.00 0.02 0.00 0.00 175.26 172.14 1aq5 s GLU 6 N 0.93 3.23 0.00 4.30 2.12 -1.26 -5.07 118.70 122.95 1aq5 s GLU 6 Ca 0.28 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1aq5 s GLU 6 Cb -0.00 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.50 1aq5 s GLU 6 CO -0.06 -0.21 0.00 -3.47 -0.54 0.00 0.00 175.26 170.97 1aq5 n ASP 7 N 4.74 0.00 0.10 -1.70 -0.08 -1.26 -5.00 116.55 113.34 1aq5 n ASP 7 Ca -0.19 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 52.98 1aq5 n ASP 7 Cb 0.50 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.89 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 0.00 -0.30 -0.69 -0.67 0.13 -2.04 -3.40 132.00 125.03 1aq5 h PRO 8 Ca 0.00 0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 64.84 1aq5 h PRO 8 Cb 0.00 0.07 -0.40 0.00 0.13 0.00 0.00 31.00 30.80 1aq5 h PRO 8 CO 0.00 0.06 -1.12 0.00 -0.23 0.00 0.00 178.00 176.72 1aq5 n GLU 10 N -0.41 -1.71 -0.22 0.00 4.71 -1.26 -4.71 120.64 117.04 1aq5 n GLU 10 Ca 0.11 0.22 0.31 0.00 -0.01 0.00 0.00 57.16 57.80 1aq5 n GLU 10 Cb 0.81 -4.64 0.71 0.00 -1.01 0.00 0.00 31.44 27.31 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 -3.92 5.98 0.08 0.00 4.01 -1.26 -4.48 118.16 118.57 1aq5 n LYS 12 Ca 0.22 -0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.98 1aq5 n LYS 12 Cb 1.17 -0.60 -0.07 0.00 -0.51 0.00 0.00 35.03 35.02 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 0.39 4.39 0.02 -1.38 -0.50 113.55 116.47 1aq5 h SER 13 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1aq5 h SER 13 Cb 0.03 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.59 1aq5 h SER 13 CO 0.00 0.80 -1.47 0.40 -1.14 0.00 0.00 176.83 175.42 1aq5 h ILE 14 N 0.00 1.26 0.00 3.27 2.04 -1.55 -2.50 117.51 120.03 1aq5 h ILE 14 Ca -0.03 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.04 1aq5 h ILE 14 Cb 1.63 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.63 1aq5 h ILE 14 CO 0.10 0.84 -0.34 0.58 0.00 0.00 0.00 178.15 179.34 1aq5 h VAL 15 N 0.11 0.00 -0.15 1.67 2.07 -1.77 -2.47 116.25 115.71 1aq5 h VAL 15 Ca -0.23 -0.94 -0.18 0.00 0.82 0.00 0.00 66.70 66.16 1aq5 h VAL 15 Cb 2.08 1.77 0.01 0.00 -1.52 0.00 0.00 31.29 33.62 1aq5 h VAL 15 CO 0.22 0.00 -0.62 0.50 0.02 0.00 0.00 177.57 177.69 1aq5 h LYS 16 N 0.00 0.68 -0.10 1.57 3.11 -1.12 -2.69 116.57 118.02 1aq5 h LYS 16 Ca 0.00 -0.53 -0.08 0.00 -2.81 0.00 0.00 60.65 57.23 1aq5 h LYS 16 Cb 0.97 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 1aq5 h LYS 16 CO 0.00 1.15 -0.30 0.35 -2.81 0.00 0.00 179.45 177.84 1aq5 h PHE 17 N 0.36 0.20 -0.09 1.91 3.04 -1.42 -2.93 116.94 118.00 1aq5 h PHE 17 Ca -0.04 -0.04 0.03 0.00 3.98 0.00 0.00 57.97 61.90 1aq5 h PHE 17 Cb 1.25 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.68 1aq5 h PHE 17 CO 0.10 0.47 -0.07 1.96 -2.02 0.00 0.00 178.31 178.74 1aq5 h GLN 18 N 0.16 -0.08 -0.86 1.11 4.20 -1.12 -0.96 115.11 117.56 1aq5 h GLN 18 Ca 0.02 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.91 1aq5 h GLN 18 Cb 0.62 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 1aq5 h GLN 18 CO 0.04 -0.05 0.57 0.00 -0.67 0.00 0.00 178.83 178.72 1aq5 h THR 19 N -0.08 0.75 -0.53 -0.54 1.03 -1.31 0.43 112.91 112.66 1aq5 h THR 19 Ca 0.06 -0.17 -0.07 0.00 -0.01 0.00 0.00 66.41 66.23 1aq5 h THR 19 Cb 0.17 0.22 -0.02 0.00 -1.07 0.00 0.00 68.15 67.45 1aq5 h THR 19 CO -0.14 0.09 0.06 0.11 -0.01 0.00 0.00 175.52 175.62 1aq5 h LYS 20 N 0.49 0.85 0.00 0.00 1.79 -1.19 -1.02 116.57 117.49 1aq5 h LYS 20 Ca 0.44 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1aq5 h LYS 20 Cb 0.96 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1aq5 h LYS 20 CO -0.17 0.82 0.00 0.28 -1.08 0.00 0.00 179.45 179.30 1aq5 h VAL 21 N 0.81 0.00 -0.05 0.50 2.07 0.38 -2.20 116.25 117.76 1aq5 h VAL 21 Ca 0.16 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 1aq5 h VAL 21 Cb 0.40 1.62 0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1aq5 h VAL 21 CO 0.01 0.00 -0.43 -0.33 0.02 0.00 0.00 177.57 176.84 1aq5 h GLU 22 N 0.00 0.38 0.00 1.57 5.08 0.42 -1.49 114.58 120.53 1aq5 h GLU 22 Ca 0.00 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.91 1aq5 h GLU 22 Cb 0.72 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1aq5 h GLU 22 CO 0.00 1.00 -0.51 1.05 -1.00 0.00 0.00 179.01 179.55 1aq5 h GLU 23 N -0.13 0.00 -0.13 2.33 4.11 -1.38 -2.76 114.58 116.61 1aq5 h GLU 23 Ca -0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.23 1aq5 h GLU 23 Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1aq5 h GLU 23 CO 0.09 0.51 -0.54 1.25 0.07 0.00 0.00 179.01 180.39 1aq5 h LEU 24 N 0.00 0.71 -0.98 3.06 7.12 -1.39 -2.64 115.31 121.18 1aq5 h LEU 24 Ca -0.01 -0.62 -0.05 0.00 0.13 0.00 0.00 57.88 57.34 1aq5 h LEU 24 Cb 1.13 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 41.02 1aq5 h LEU 24 CO 0.07 1.21 0.20 0.40 -0.13 0.00 0.00 178.44 180.19 1aq5 h ILE 25 N 0.24 1.23 -0.67 4.05 5.03 -1.24 -2.09 117.51 124.07 1aq5 h ILE 25 Ca -0.03 -0.79 -0.06 0.00 -0.12 0.00 0.00 64.86 63.87 1aq5 h ILE 25 Cb 1.18 0.54 -0.03 0.00 -3.03 0.00 0.00 36.82 35.48 1aq5 h ILE 25 CO 0.11 0.31 0.20 -1.13 -0.68 0.00 0.00 178.15 176.96 1aq5 h ASN 26 N 0.91 0.99 0.03 1.72 -1.24 -1.45 -1.63 115.58 114.90 1aq5 h ASN 26 Ca 0.21 -0.21 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1aq5 h ASN 26 Cb 0.25 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1aq5 h ASN 26 CO -0.01 0.94 -0.13 0.74 -1.29 0.00 0.00 177.43 177.68 1aq5 h THR 27 N 0.98 1.17 -0.17 -3.57 2.02 -1.07 -0.31 112.91 111.96 1aq5 h THR 27 Ca 0.22 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 1aq5 h THR 27 Cb 0.31 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1aq5 h THR 27 CO -0.01 0.23 -0.40 -0.07 0.37 0.00 0.00 175.52 175.65 1aq5 h LEU 28 N 0.21 0.64 -0.42 2.58 3.38 -0.79 -1.73 115.31 119.18 1aq5 h LEU 28 Ca 0.04 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1aq5 h LEU 28 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1aq5 h LEU 28 CO 0.02 1.10 0.00 1.67 0.09 0.00 0.00 178.44 181.32 1aq5 n GLN 29 N -4.27 0.13 -0.07 1.13 7.27 -0.67 -1.68 117.38 119.22 1aq5 n GLN 29 Ca -0.06 0.34 -0.13 0.00 0.07 0.00 0.00 57.00 57.22 1aq5 n GLN 29 Cb 0.54 -1.74 -0.10 0.00 2.41 0.00 0.00 30.24 31.35 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 -0.64 -1.80 115.11 117.44 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 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1aq5 h GLN 30 CO 0.00 0.78 0.00 0.87 -0.95 0.00 0.00 178.83 179.53 1aq5 h LYS 31 N -1.00 0.00 0.08 1.46 1.57 -1.23 -1.78 116.57 115.67 1aq5 h LYS 31 Ca -0.08 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1aq5 h LYS 31 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1aq5 h LYS 31 CO -0.05 0.00 -0.73 1.25 -0.57 0.00 0.00 179.45 179.35 1aq5 h LEU 32 N 0.00 0.26 -1.22 2.94 5.85 -1.38 -0.97 115.31 120.79 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 0.29 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1aq5 h LEU 32 CO 0.00 1.33 0.00 -0.08 -0.34 0.00 0.00 178.44 179.35 1aq5 h GLU 33 N -0.62 0.00 0.11 1.25 4.57 -0.99 -1.37 114.58 117.53 1aq5 h GLU 33 Ca -0.15 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.67 1aq5 h GLU 33 Cb 1.43 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.00 1aq5 h GLU 33 CO 0.05 0.00 -2.00 0.00 -1.18 0.00 0.00 179.01 175.88 1aq5 n ALA 34 N -1.88 0.97 -0.12 2.92 0.00 -0.70 -3.43 120.51 118.27 1aq5 n ALA 34 Ca 0.01 -0.63 0.02 0.00 0.00 0.00 0.00 53.44 52.83 1aq5 n ALA 34 Cb 0.20 -0.66 0.32 0.00 0.00 0.00 0.00 19.45 19.31 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 0.06 1.16 0.00 0.00 2.07 -0.61 0.87 116.25 119.80 1aq5 h VAL 35 Ca -0.42 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1aq5 h VAL 35 Cb 2.03 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1aq5 h VAL 35 CO 0.08 0.15 -0.27 0.00 0.02 0.00 0.00 177.57 177.55 1aq5 h ALA 36 N 1.62 1.09 0.00 1.67 0.00 -1.39 -0.98 119.26 121.27 1aq5 h ALA 36 Ca 0.22 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1aq5 h ALA 36 Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1aq5 h ALA 36 CO -0.05 0.34 -0.48 0.87 0.00 0.00 0.00 179.25 179.94 1aq5 h LYS 37 N 0.00 0.00 0.04 0.00 1.57 -0.89 -2.52 116.57 114.77 1aq5 h LYS 37 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1aq5 h LYS 37 Cb 0.72 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1aq5 h LYS 37 CO 0.04 0.48 -1.32 0.00 -0.57 0.00 0.00 179.45 178.07 1aq5 h ARG 38 N 0.00 0.09 -0.13 3.15 3.08 -0.77 -2.74 114.38 117.06 1aq5 h ARG 38 Ca -0.00 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1aq5 h ARG 38 Cb 1.34 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 1aq5 h ARG 38 CO 0.06 0.94 -0.03 0.82 -1.07 0.00 0.00 179.97 180.69 1aq5 h ILE 39 N 0.02 1.28 -0.26 2.04 1.08 -1.18 -2.36 117.51 118.15 1aq5 h ILE 39 Ca -0.14 -0.95 -0.03 0.00 -0.39 0.00 0.00 64.86 63.35 1aq5 h ILE 39 Cb 1.91 1.65 -0.01 0.00 -3.07 0.00 0.00 36.82 37.29 1aq5 h ILE 39 CO 0.13 0.27 0.05 1.05 -0.69 0.00 0.00 178.15 178.97 1aq5 h GLU 40 N -0.06 0.37 -0.97 2.37 -0.00 -1.55 0.04 114.58 114.78 1aq5 h GLU 40 Ca 0.03 -0.05 0.08 0.00 -0.00 0.00 0.00 59.36 59.42 1aq5 h GLU 40 Cb 0.44 -0.07 -0.07 0.00 -0.00 0.00 0.00 28.75 29.05 1aq5 h GLU 40 CO 0.01 0.36 0.62 0.00 -0.00 0.00 0.00 179.01 180.00 1aq5 h ALA 41 N 1.70 1.48 -0.00 1.06 0.00 -1.12 0.21 119.26 122.58 1aq5 h ALA 41 Ca 0.09 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1aq5 h ALA 41 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1aq5 h ALA 41 CO -0.00 0.35 -0.74 -0.07 0.00 0.00 0.00 179.25 178.78 1aq5 h LEU 42 N 1.07 0.03 -0.45 0.00 -0.00 -0.55 -2.65 115.31 112.75 1aq5 h LEU 42 Ca 0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1aq5 h LEU 42 Cb 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1aq5 h LEU 42 CO -0.18 0.76 0.00 -0.62 -0.00 0.00 0.00 178.44 178.39 1aq5 n GLU 43 N -3.67 0.16 0.19 1.13 1.02 0.52 0.00 120.64 119.99 1aq5 n GLU 43 Ca -0.01 0.35 0.07 0.00 -0.02 0.00 0.00 57.16 57.55 1aq5 n GLU 43 Cb 0.72 -1.78 0.32 0.00 -0.02 0.00 0.00 31.44 30.69 1aq5 n GLU 43 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1aq5 h ASN 44 N 0.00 0.00 0.00 1.62 -0.26 -0.58 -2.08 115.58 114.28 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 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1aq5 h ASN 44 CO 0.00 0.34 0.00 2.29 -1.06 0.00 0.00 177.43 179.00 1aq5 n LYS 45 N -3.42 1.59 -0.04 0.81 0.00 -0.96 -4.70 118.16 111.44 1aq5 n LYS 45 Ca 0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 58.31 58.08 1aq5 n LYS 45 Cb 0.52 -0.68 -0.11 0.00 -0.00 0.00 0.00 35.03 34.76 1aq5 n LYS 45 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1aq5 n ILE 46 N -0.29 0.52 0.00 0.58 2.08 0.10 -5.13 119.36 117.23 1aq5 n ILE 46 Ca 0.00 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 62.84 1aq5 n ILE 46 Cb 0.04 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 38.63 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11