#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 1.83 -0.43 1.61 0.15 -1.26 -5.11 113.70 110.49 1aq5 s SER 2 Ca 0.00 -0.77 0.04 0.00 0.70 0.00 0.00 55.95 55.92 1aq5 s SER 2 Cb 0.00 -0.05 0.19 0.00 -1.71 0.00 0.00 66.02 64.45 1aq5 s SER 2 CO 0.00 -0.16 0.76 -1.00 1.20 0.00 0.00 173.24 174.04 1aq5 s HIS 3 N -2.04 -1.40 -0.30 3.44 0.09 -1.26 -5.12 115.29 108.70 1aq5 s HIS 3 Ca 0.06 -0.06 -0.11 0.00 -0.00 0.00 0.00 55.06 54.95 1aq5 s HIS 3 Cb -0.05 0.26 0.18 0.00 -0.00 0.00 0.00 32.58 32.97 1aq5 s HIS 3 CO 0.02 -1.01 0.97 1.41 -0.00 0.00 0.00 174.74 176.13 1aq5 s MET 4 N 1.49 0.26 0.16 1.40 -2.45 -1.26 -5.08 119.30 113.81 1aq5 s MET 4 Ca 0.21 0.45 0.00 0.00 -1.25 0.00 0.00 55.69 55.10 1aq5 s MET 4 Cb -0.00 0.25 0.00 0.00 1.25 0.00 0.00 34.83 36.33 1aq5 s MET 4 CO -0.08 -0.28 0.00 -1.91 1.05 0.00 0.00 175.02 173.80 1aq5 n GLU 5 N 5.47 0.00 -2.65 4.11 4.07 -1.26 -5.13 120.64 125.25 1aq5 n GLU 5 Ca -0.06 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.01 1aq5 n GLU 5 Cb 0.53 -0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.88 1aq5 n GLU 5 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1aq5 n GLU 6 N -3.05 -3.53 -2.97 5.31 -0.58 -1.26 -4.55 120.64 110.01 1aq5 n GLU 6 Ca 0.00 2.70 -0.02 0.00 -0.42 0.00 0.00 57.16 59.42 1aq5 n GLU 6 Cb 0.00 -3.60 0.00 0.00 -0.57 0.00 0.00 31.44 27.27 1aq5 n GLU 6 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1aq5 n ASP 7 N 1.98 -7.27 0.00 1.62 2.03 -1.26 -4.96 116.55 108.69 1aq5 n ASP 7 Ca -0.23 0.87 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1aq5 n ASP 7 Cb 0.35 -3.48 0.00 0.00 -0.72 0.00 0.00 41.12 37.27 1aq5 n ASP 7 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1aq5 n PRO 8 N 0.90 0.00 -2.17 -0.67 -0.04 -1.26 -4.59 135.00 127.17 1aq5 n PRO 8 Ca 0.00 0.45 -0.21 0.00 -0.04 0.00 0.00 63.50 63.70 1aq5 n PRO 8 Cb 0.27 -1.05 0.02 0.00 -0.04 0.00 0.00 33.50 32.71 1aq5 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aq5 n GLU 10 N -0.66 -0.82 -0.42 0.00 4.71 -1.26 -4.70 120.64 117.49 1aq5 n GLU 10 Ca 0.39 0.12 0.40 0.00 -0.01 0.00 0.00 57.16 58.06 1aq5 n GLU 10 Cb 0.92 -4.30 0.77 0.00 -1.01 0.00 0.00 31.44 27.82 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 -4.11 4.42 0.09 0.00 5.02 -1.26 -4.47 118.16 117.85 1aq5 n LYS 12 Ca 0.30 -0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.54 1aq5 n LYS 12 Cb 1.44 -0.74 -0.01 0.00 -0.02 0.00 0.00 35.03 35.70 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 0.45 4.39 0.02 -1.40 -0.33 113.55 116.69 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 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1aq5 h SER 13 CO 0.00 0.84 -1.47 0.40 -1.14 0.00 0.00 176.83 175.46 1aq5 h ILE 14 N 0.00 1.24 0.00 3.27 2.04 -1.60 -2.57 117.51 119.89 1aq5 h ILE 14 Ca -0.01 -2.83 -0.07 0.00 1.00 0.00 0.00 64.86 62.95 1aq5 h ILE 14 Cb 1.51 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 40.41 1aq5 h ILE 14 CO 0.11 0.84 -0.55 0.58 0.00 0.00 0.00 178.15 179.13 1aq5 h VAL 15 N 0.08 0.46 0.12 1.67 2.07 -1.77 -2.07 116.25 116.81 1aq5 h VAL 15 Ca -0.23 -1.69 -0.27 0.00 0.82 0.00 0.00 66.70 65.33 1aq5 h VAL 15 Cb 2.03 2.13 0.01 0.00 -1.52 0.00 0.00 31.29 33.94 1aq5 h VAL 15 CO 0.19 0.26 -1.21 0.07 0.02 0.00 0.00 177.57 176.90 1aq5 h LYS 16 N 0.00 0.36 -0.07 1.57 5.09 -1.13 -2.74 116.57 119.65 1aq5 h LYS 16 Ca -0.03 -0.54 -0.09 0.00 0.09 0.00 0.00 60.65 60.09 1aq5 h LYS 16 Cb 1.26 0.19 -0.01 0.00 0.10 0.00 0.00 32.23 33.76 1aq5 h LYS 16 CO 0.04 1.23 -0.38 0.35 -2.09 0.00 0.00 179.45 178.60 1aq5 h PHE 17 N 0.13 0.16 -0.51 0.07 3.04 -1.46 -2.64 116.94 115.72 1aq5 h PHE 17 Ca -0.14 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.77 1aq5 h PHE 17 Cb 1.91 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 40.36 1aq5 h PHE 17 CO 0.07 0.50 0.32 1.96 -2.02 0.00 0.00 178.31 179.14 1aq5 h GLN 18 N 0.12 0.68 -0.66 1.11 4.20 -1.18 -1.36 115.11 118.03 1aq5 h GLN 18 Ca 0.01 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1aq5 h GLN 18 Cb 0.72 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1aq5 h GLN 18 CO 0.05 0.47 0.43 1.15 -0.67 0.00 0.00 178.83 180.27 1aq5 h THR 19 N 0.68 0.95 -0.08 -0.54 2.02 -1.17 0.40 112.91 115.17 1aq5 h THR 19 Ca 0.18 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1aq5 h THR 19 Cb -0.05 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1aq5 h THR 19 CO -0.04 0.10 -0.35 0.11 0.37 0.00 0.00 175.52 175.72 1aq5 h LYS 20 N 0.57 0.17 0.00 6.66 1.79 -1.18 -1.26 116.57 123.32 1aq5 h LYS 20 Ca 0.29 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1aq5 h LYS 20 Cb 0.40 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1aq5 h LYS 20 CO -0.09 0.50 0.00 0.28 -1.08 0.00 0.00 179.45 179.06 1aq5 h VAL 21 N 0.15 0.00 -0.02 0.50 2.07 0.36 -2.50 116.25 116.81 1aq5 h VAL 21 Ca 0.02 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 1aq5 h VAL 21 Cb 0.69 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1aq5 h VAL 21 CO 0.05 0.00 -0.44 -0.33 0.02 0.00 0.00 177.57 176.87 1aq5 h GLU 22 N 0.00 0.33 -0.01 1.57 5.08 0.50 -1.59 114.58 120.46 1aq5 h GLU 22 Ca 0.00 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 57.86 1aq5 h GLU 22 Cb 0.86 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1aq5 h GLU 22 CO 0.00 1.01 -0.78 1.05 -1.00 0.00 0.00 179.01 179.29 1aq5 h GLU 23 N -0.23 0.11 -0.14 2.33 4.11 -1.50 -2.72 114.58 116.55 1aq5 h GLU 23 Ca -0.05 -0.11 -0.05 0.00 0.07 0.00 0.00 59.36 59.22 1aq5 h GLU 23 Cb 1.16 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1aq5 h GLU 23 CO 0.09 0.83 -0.11 1.25 0.07 0.00 0.00 179.01 181.14 1aq5 h LEU 24 N 0.07 0.34 -1.10 3.06 7.12 -1.50 -1.70 115.31 121.61 1aq5 h LEU 24 Ca -0.02 -0.46 0.04 0.00 0.13 0.00 0.00 57.88 57.57 1aq5 h LEU 24 Cb 1.37 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 41.35 1aq5 h LEU 24 CO 0.11 0.73 0.61 0.40 -0.13 0.00 0.00 178.44 180.17 1aq5 h ILE 25 N -0.04 1.15 -0.37 4.05 5.03 -1.30 -1.14 117.51 124.89 1aq5 h ILE 25 Ca 0.03 -0.40 -0.04 0.00 -0.12 0.00 0.00 64.86 64.33 1aq5 h ILE 25 Cb 0.63 -0.11 -0.02 0.00 -3.03 0.00 0.00 36.82 34.29 1aq5 h ILE 25 CO 0.03 0.21 0.09 -1.13 -0.68 0.00 0.00 178.15 176.67 1aq5 h ASN 26 N 1.16 0.55 -0.04 1.72 -1.24 -1.34 -1.71 115.58 114.69 1aq5 h ASN 26 Ca 0.37 -0.23 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 1aq5 h ASN 26 Cb 0.03 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 38.93 1aq5 h ASN 26 CO -0.12 0.64 0.01 0.74 -1.29 0.00 0.00 177.43 177.42 1aq5 h THR 27 N 0.44 1.03 -0.03 -3.57 2.02 -0.49 0.21 112.91 112.52 1aq5 h THR 27 Ca 0.12 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1aq5 h THR 27 Cb 0.30 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1aq5 h THR 27 CO 0.00 0.04 -0.17 -0.07 0.37 0.00 0.00 175.52 175.69 1aq5 h LEU 28 N 0.08 0.20 -0.67 2.58 3.38 -0.69 -1.73 115.31 118.47 1aq5 h LEU 28 Ca 0.02 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1aq5 h LEU 28 Cb 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1aq5 h LEU 28 CO -0.00 0.84 0.00 1.67 0.09 0.00 0.00 178.44 181.04 1aq5 n GLN 29 N -4.59 0.15 -0.07 1.13 7.27 -0.69 -1.51 117.38 119.06 1aq5 n GLN 29 Ca -0.09 0.43 -0.13 0.00 0.07 0.00 0.00 57.00 57.28 1aq5 n GLN 29 Cb 0.42 -1.81 -0.11 0.00 2.41 0.00 0.00 30.24 31.15 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 -0.75 -2.42 115.11 116.71 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 0.83 0.00 0.87 -0.95 0.00 0.00 178.83 179.58 1aq5 h LYS 31 N -1.00 0.00 0.06 1.46 1.57 -1.12 -2.05 116.57 115.50 1aq5 h LYS 31 Ca -0.07 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1aq5 h LYS 31 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1aq5 h LYS 31 CO -0.04 0.00 -0.70 1.25 -0.57 0.00 0.00 179.45 179.39 1aq5 h LEU 32 N 0.00 0.21 -1.70 2.94 5.85 -1.32 -0.69 115.31 120.60 1aq5 h LEU 32 Ca 0.00 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.83 1aq5 h LEU 32 Cb 0.30 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.26 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 -0.68 0.00 0.06 1.25 4.81 -1.17 -1.49 114.58 117.36 1aq5 h GLU 33 Ca -0.15 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.76 1aq5 h GLU 33 Cb 1.38 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1aq5 h GLU 33 CO 0.03 0.00 -1.76 0.00 -0.73 0.00 0.00 179.01 176.54 1aq5 h ALA 34 N 2.01 0.59 -0.72 2.92 0.00 -1.44 -3.13 119.26 119.50 1aq5 h ALA 34 Ca 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 54.91 53.49 1aq5 h ALA 34 Cb 0.41 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1aq5 h ALA 34 CO 0.00 1.44 0.30 0.28 0.00 0.00 0.00 179.25 181.27 1aq5 h VAL 35 N 0.03 1.24 0.00 0.00 2.07 -0.51 -0.59 116.25 118.50 1aq5 h VAL 35 Ca -0.32 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 1aq5 h VAL 35 Cb 2.02 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1aq5 h VAL 35 CO 0.09 0.30 -0.36 0.00 0.02 0.00 0.00 177.57 177.63 1aq5 h ALA 36 N 1.29 1.07 0.00 1.67 0.00 -1.39 -1.76 119.26 120.13 1aq5 h ALA 36 Ca 0.24 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1aq5 h ALA 36 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1aq5 h ALA 36 CO -0.02 0.45 0.00 0.87 0.00 0.00 0.00 179.25 180.55 1aq5 h LYS 37 N 0.00 0.00 0.14 0.00 1.57 -1.11 -2.64 116.57 114.53 1aq5 h LYS 37 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1aq5 h LYS 37 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1aq5 h LYS 37 CO 0.05 0.00 -1.92 0.00 -0.57 0.00 0.00 179.45 177.01 1aq5 h ARG 38 N 0.00 0.30 -0.73 3.15 2.47 -0.55 -3.17 114.38 115.86 1aq5 h ARG 38 Ca 0.00 -0.52 -0.04 0.00 -1.26 0.00 0.00 59.98 58.16 1aq5 h ARG 38 Cb 0.79 0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.27 1aq5 h ARG 38 CO 0.00 1.24 0.30 0.82 0.56 0.00 0.00 179.97 182.89 1aq5 h ILE 39 N 0.08 1.25 -0.02 2.04 2.04 -1.35 -0.63 117.51 120.91 1aq5 h ILE 39 Ca -0.40 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1aq5 h ILE 39 Cb 2.06 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1aq5 h ILE 39 CO 0.12 0.31 -0.11 1.05 0.00 0.00 0.00 178.15 179.52 1aq5 h GLU 40 N 1.04 0.03 -0.86 2.37 -0.00 -1.60 0.14 114.58 115.70 1aq5 h GLU 40 Ca 0.24 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.60 1aq5 h GLU 40 Cb 0.20 -0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 28.90 1aq5 h GLU 40 CO -0.02 0.14 0.52 0.00 -0.00 0.00 0.00 179.01 179.65 1aq5 h ALA 41 N 1.86 1.09 0.00 1.06 0.00 -1.09 -0.22 119.26 121.95 1aq5 h ALA 41 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1aq5 h ALA 41 Cb 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1aq5 h ALA 41 CO 0.01 0.54 -0.56 -0.07 0.00 0.00 0.00 179.25 179.18 1aq5 h LEU 42 N 1.17 0.00 -1.03 0.00 -0.00 -0.71 -2.44 115.31 112.30 1aq5 h LEU 42 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1aq5 h LEU 42 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1aq5 h LEU 42 CO -0.06 0.56 0.00 -0.33 -0.00 0.00 0.00 178.44 178.61 1aq5 h GLU 43 N 0.00 0.00 0.00 1.13 5.08 0.61 0.69 114.58 122.08 1aq5 h GLU 43 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1aq5 h GLU 43 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1aq5 h GLU 43 CO 0.07 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.17 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 4.21 -0.64 0.87 115.58 121.43 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 0.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1aq5 h ASN 44 CO 0.00 0.00 -1.14 0.29 -1.29 0.00 0.00 177.43 175.29 1aq5 n LYS 45 N -2.79 1.18 -0.00 0.81 4.01 -0.60 -4.54 118.16 116.22 1aq5 n LYS 45 Ca 0.03 -0.06 0.09 0.00 -0.51 0.00 0.00 58.31 57.87 1aq5 n LYS 45 Cb 0.39 -1.12 -0.13 0.00 -0.51 0.00 0.00 35.03 33.66 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 -1.64 0.00 0.00 -0.18 2.08 0.13 -5.13 119.36 114.62 1aq5 n ILE 46 Ca -0.01 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1aq5 n ILE 46 Cb 0.19 0.65 0.00 0.00 -0.75 0.00 0.00 39.64 39.73 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11