#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ay0 s THR 3 N 0.00 0.00 0.22 2.61 2.01 -1.26 -5.16 115.64 114.05 2ay0 s THR 3 Ca 0.00 -0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.08 2ay0 s THR 3 Cb 0.00 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 2ay0 s THR 3 CO 0.00 -0.00 -0.16 0.42 -0.69 0.00 0.00 174.62 174.18 2ay0 s THR 4 N 0.09 1.94 -0.20 -0.82 -4.23 -1.26 -5.15 115.64 106.02 2ay0 s THR 4 Ca -0.00 -2.21 -0.00 0.00 -1.18 0.00 0.00 61.69 58.29 2ay0 s THR 4 Cb -0.01 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.77 2ay0 s THR 4 CO 0.00 -0.50 -0.14 -0.89 -0.54 0.00 0.00 174.62 172.55 2ay0 s THR 5 N -2.70 2.49 -0.07 3.99 2.01 -1.26 -5.12 115.64 114.99 2ay0 s THR 5 Ca 0.23 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 2ay0 s THR 5 Cb -0.03 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2ay0 s THR 5 CO 0.09 0.47 0.14 -0.04 -0.69 0.00 0.00 174.62 174.58 2ay0 s MET 6 N 1.34 3.37 0.14 4.92 1.00 -1.26 -5.11 119.30 123.69 2ay0 s MET 6 Ca 0.04 -0.26 -0.22 0.00 0.00 0.00 0.00 55.69 55.26 2ay0 s MET 6 Cb -0.14 -3.09 -0.07 0.00 0.00 0.00 0.00 34.83 31.52 2ay0 s MET 6 CO -0.09 0.72 0.68 0.20 0.00 0.00 0.00 175.02 176.53 2ay0 s GLY 7 N -1.42 2.77 -0.15 -0.03 0.00 -1.26 -5.07 107.32 102.16 2ay0 s GLY 7 Ca 0.20 0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.13 2ay0 s GLY 7 CO 0.10 0.64 -0.16 0.14 0.00 0.00 0.00 173.10 173.82 2ay0 s VAL 8 N -1.20 1.71 -0.19 1.40 1.01 -1.26 -5.10 120.40 116.78 2ay0 s VAL 8 Ca 0.34 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 2ay0 s VAL 8 Cb -0.21 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2ay0 s VAL 8 CO 0.23 0.48 0.84 -0.04 0.00 0.00 0.00 175.10 176.61 2ay0 s MET 9 N 1.26 4.27 -0.07 2.72 -1.94 -1.26 -5.05 119.30 119.24 2ay0 s MET 9 Ca 0.01 1.01 0.02 0.00 -1.71 0.00 0.00 55.69 55.03 2ay0 s MET 9 Cb -0.14 -3.59 0.01 0.00 2.01 0.00 0.00 34.83 33.13 2ay0 s MET 9 CO -0.08 -0.37 -0.14 -0.51 -0.01 0.00 0.00 175.02 173.91 2ay0 s LEU 10 N 2.32 1.69 0.95 -0.03 1.43 -1.26 -5.14 118.68 118.64 2ay0 s LEU 10 Ca 0.38 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 2ay0 s LEU 10 Cb -0.16 -0.91 0.16 0.00 0.03 0.00 0.00 46.19 45.31 2ay0 s LEU 10 CO 0.11 0.04 1.13 1.51 0.23 0.00 0.00 176.35 179.38 2ay0 s ASP 11 N 0.67 3.12 0.19 2.29 1.47 -1.26 -4.85 116.67 118.29 2ay0 s ASP 11 Ca -0.14 0.96 -0.13 0.00 1.18 0.00 0.00 52.55 54.42 2ay0 s ASP 11 Cb -0.16 -1.51 0.12 0.00 -0.34 0.00 0.00 42.92 41.04 2ay0 s ASP 11 CO 0.04 -2.80 1.82 0.44 0.68 0.00 0.00 175.17 175.35 2ay0 h ASP 12 N -1.67 0.56 -0.50 2.11 5.19 -2.01 -1.63 116.42 118.47 2ay0 h ASP 12 Ca -0.51 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.89 2ay0 h ASP 12 Cb 1.33 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.70 2ay0 h ASP 12 CO 0.58 0.39 0.28 0.00 -3.12 0.00 0.00 179.24 177.38 2ay0 h ALA 13 N 1.25 0.64 -0.52 3.45 0.00 -1.99 0.14 119.26 122.24 2ay0 h ALA 13 Ca 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ay0 h ALA 13 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2ay0 h ALA 13 CO -0.10 0.16 0.17 1.15 0.00 0.00 0.00 179.25 180.64 2ay0 h THR 14 N 0.67 1.23 -0.86 0.00 2.02 -1.90 -0.32 112.91 113.75 2ay0 h THR 14 Ca 0.18 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.61 2ay0 h THR 14 Cb 0.04 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2ay0 h THR 14 CO -0.03 0.28 0.56 0.03 0.37 0.00 0.00 175.52 176.73 2ay0 h ARG 15 N 0.70 1.14 -0.58 6.66 3.08 -0.85 -0.30 114.38 124.23 2ay0 h ARG 15 Ca 0.17 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2ay0 h ARG 15 Cb 0.26 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2ay0 h ARG 15 CO -0.01 0.77 0.03 1.49 -1.07 0.00 0.00 179.97 181.18 2ay0 h GLU 16 N 1.17 1.01 -0.75 0.04 4.57 -0.75 -0.75 114.58 119.11 2ay0 h GLU 16 Ca 0.31 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2ay0 h GLU 16 Cb -0.11 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.34 2ay0 h GLU 16 CO -0.07 0.98 0.47 0.00 -1.18 0.00 0.00 179.01 179.22 2ay0 h ARG 17 N 0.90 1.01 -0.38 1.92 3.08 -0.61 0.22 114.38 120.53 2ay0 h ARG 17 Ca 0.17 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2ay0 h ARG 17 Cb 0.51 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2ay0 h ARG 17 CO 0.02 0.70 0.12 0.82 -1.07 0.00 0.00 179.97 180.56 2ay0 h ILE 18 N 1.03 1.21 -0.44 2.04 2.04 -0.93 -0.79 117.51 121.66 2ay0 h ILE 18 Ca 0.27 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 2ay0 h ILE 18 Cb -0.07 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2ay0 h ILE 18 CO -0.05 0.25 0.19 0.50 0.00 0.00 0.00 178.15 179.03 2ay0 h LYS 19 N 0.47 0.65 -0.08 2.37 3.64 -0.81 0.80 116.57 123.62 2ay0 h LYS 19 Ca 0.12 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2ay0 h LYS 19 Cb 0.26 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2ay0 h LYS 19 CO -0.00 0.58 0.05 0.77 -2.27 0.00 0.00 179.45 178.58 2ay0 h SER 20 N 0.57 0.09 -0.45 4.20 0.02 -0.92 -1.31 113.55 115.76 2ay0 h SER 20 Ca 0.15 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 2ay0 h SER 20 Cb 0.16 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2ay0 h SER 20 CO -0.01 0.09 -0.05 0.00 -1.14 0.00 0.00 176.83 175.71 2ay0 h ALA 21 N 1.01 0.96 -0.58 3.77 0.00 -0.99 -2.45 119.26 120.99 2ay0 h ALA 21 Ca 0.03 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2ay0 h ALA 21 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2ay0 h ALA 21 CO -0.01 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.90 2ay0 h ALA 22 N 1.13 0.77 -0.43 0.00 0.00 -0.75 -2.67 119.26 117.31 2ay0 h ALA 22 Ca 0.14 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2ay0 h ALA 22 Cb 0.55 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2ay0 h ALA 22 CO 0.03 0.57 0.18 1.15 0.00 0.00 0.00 179.25 181.19 2ay0 h THR 23 N 0.89 0.91 0.00 0.00 2.02 -1.09 -1.49 112.91 114.14 2ay0 h THR 23 Ca 0.17 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 2ay0 h THR 23 Cb 0.50 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2ay0 h THR 23 CO 0.02 0.07 -0.44 0.08 0.37 0.00 0.00 175.52 175.62 2ay0 h ARG 24 N 0.37 0.00 -0.21 6.66 -0.00 -1.28 -2.94 114.38 116.98 2ay0 h ARG 24 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.18 2ay0 h ARG 24 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 2ay0 h ARG 24 CO -0.17 0.44 0.00 0.44 -0.00 0.00 0.00 179.97 180.67 2ay0 n ILE 25 N -3.66 0.26 -3.78 0.08 -5.35 -1.02 -4.96 119.36 100.92 2ay0 n ILE 25 Ca -0.01 -0.51 -0.25 0.00 -0.27 0.00 0.00 62.75 61.71 2ay0 n ILE 25 Cb 0.52 0.82 0.04 0.00 -1.74 0.00 0.00 39.64 39.28 2ay0 n ILE 25 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2ay0 n ASP 26 N 0.93 -3.31 -4.33 7.28 8.00 -0.69 -5.01 116.55 119.42 2ay0 n ASP 26 Ca 0.17 -0.77 -0.17 0.00 0.71 0.00 0.00 54.79 54.73 2ay0 n ASP 26 Cb 0.49 -4.10 -0.10 0.00 -0.02 0.00 0.00 41.12 37.38 2ay0 n ASP 26 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ay0 s ARG 27 N -6.28 1.33 0.57 -1.24 1.81 -0.65 -5.05 118.95 109.44 2ay0 s ARG 27 Ca 0.36 -1.68 -0.13 0.00 -1.72 0.00 0.00 55.73 52.56 2ay0 s ARG 27 Cb -0.17 -0.58 -0.06 0.00 -0.45 0.00 0.00 34.95 33.69 2ay0 s ARG 27 CO 0.81 -0.11 1.00 0.95 -0.68 0.00 0.00 175.30 177.27 2ay0 s THR 28 N -3.45 4.65 0.28 0.02 -4.23 -1.26 -4.30 115.64 107.35 2ay0 s THR 28 Ca 0.29 0.98 0.02 0.00 -1.18 0.00 0.00 61.69 61.80 2ay0 s THR 28 Cb 0.06 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.36 2ay0 s THR 28 CO 0.09 -0.95 1.74 -0.65 -0.54 0.00 0.00 174.62 174.31 2ay0 h PRO 29 N 0.21 0.53 -0.55 3.99 0.11 -1.93 -1.07 132.00 133.30 2ay0 h PRO 29 Ca -0.45 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.69 2ay0 h PRO 29 Cb 1.19 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 2ay0 h PRO 29 CO 0.62 0.35 0.26 0.45 -0.21 0.00 0.00 178.00 179.47 2ay0 h HIS 30 N 0.55 0.47 -0.46 0.65 3.86 -1.98 -0.53 115.15 117.71 2ay0 h HIS 30 Ca 0.52 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.76 2ay0 h HIS 30 Cb 0.86 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 2ay0 h HIS 30 CO -0.10 0.20 0.30 2.35 0.86 0.00 0.00 177.93 181.55 2ay0 h TRP 31 N 0.50 0.57 -0.54 2.45 7.01 -1.77 -1.93 115.95 122.24 2ay0 h TRP 31 Ca 0.26 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.25 2ay0 h TRP 31 Cb 0.21 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 2ay0 h TRP 31 CO -0.12 0.36 0.25 1.25 -2.79 0.00 0.00 178.44 177.39 2ay0 h LEU 32 N 0.62 0.72 -0.61 0.65 6.46 -0.75 -1.09 115.31 121.30 2ay0 h LEU 32 Ca 0.17 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 2ay0 h LEU 32 Cb -0.07 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.65 2ay0 h LEU 32 CO -0.04 0.66 0.27 0.40 -0.62 0.00 0.00 178.44 179.11 2ay0 h ILE 33 N 0.73 1.22 -0.40 4.05 2.04 -0.96 -0.24 117.51 123.94 2ay0 h ILE 33 Ca 0.18 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2ay0 h ILE 33 Cb 0.14 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2ay0 h ILE 33 CO -0.02 0.26 0.08 0.11 0.00 0.00 0.00 178.15 178.59 2ay0 h LYS 34 N 0.84 0.66 -0.55 2.37 1.79 -1.14 -1.74 116.57 118.80 2ay0 h LYS 34 Ca 0.21 -0.17 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 2ay0 h LYS 34 Cb 0.16 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 2ay0 h LYS 34 CO -0.02 0.69 0.25 0.37 -1.08 0.00 0.00 179.45 179.66 2ay0 h GLN 35 N 0.52 0.46 -0.61 3.15 5.75 -0.95 -0.56 115.11 122.86 2ay0 h GLN 35 Ca 0.12 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 2ay0 h GLN 35 Cb 0.34 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.73 2ay0 h GLN 35 CO 0.00 0.30 0.29 0.00 -2.65 0.00 0.00 178.83 176.78 2ay0 h ALA 36 N 1.32 0.80 0.24 3.38 0.00 -0.84 0.88 119.26 125.04 2ay0 h ALA 36 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2ay0 h ALA 36 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ay0 h ALA 36 CO -0.21 -0.08 -0.11 0.82 0.00 0.00 0.00 179.25 179.67 2ay0 h ILE 37 N 0.54 0.82 -0.42 0.00 2.04 -0.49 -1.49 117.51 118.51 2ay0 h ILE 37 Ca 0.29 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.77 2ay0 h ILE 37 Cb 0.25 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2ay0 h ILE 37 CO -0.22 0.09 0.18 -0.26 0.00 0.00 0.00 178.15 177.94 2ay0 h PHE 38 N -0.53 0.33 -0.51 1.37 0.04 -1.01 -0.98 116.94 115.65 2ay0 h PHE 38 Ca -0.03 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.82 2ay0 h PHE 38 Cb 0.39 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 2ay0 h PHE 38 CO -0.00 0.15 0.22 1.03 -0.60 0.00 0.00 178.31 179.11 2ay0 h SER 39 N 0.37 0.27 -0.52 2.17 0.87 -0.79 -1.02 113.55 114.90 2ay0 h SER 39 Ca 0.19 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2ay0 h SER 39 Cb 0.13 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2ay0 h SER 39 CO -0.16 0.18 0.20 0.22 -0.53 0.00 0.00 176.83 176.75 2ay0 h TYR 40 N 0.42 0.80 -0.68 2.24 3.20 -0.78 -1.86 116.97 120.31 2ay0 h TYR 40 Ca 0.24 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2ay0 h TYR 40 Cb 0.22 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2ay0 h TYR 40 CO -0.14 0.67 0.21 -0.07 -1.64 0.00 0.00 178.16 177.19 2ay0 h LEU 41 N 0.71 0.98 -0.49 2.82 3.38 -0.83 -1.18 115.31 120.69 2ay0 h LEU 41 Ca 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ay0 h LEU 41 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2ay0 h LEU 41 CO -0.01 0.91 0.20 -0.33 0.09 0.00 0.00 178.44 179.30 2ay0 h GLU 42 N 1.01 0.73 -0.79 1.13 5.08 -1.06 -1.80 114.58 118.87 2ay0 h GLU 42 Ca 0.22 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2ay0 h GLU 42 Cb 0.29 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2ay0 h GLU 42 CO -0.01 0.65 0.52 1.96 -1.00 0.00 0.00 179.01 181.12 2ay0 h GLN 43 N 0.65 1.05 0.00 2.33 4.20 -0.96 -1.61 115.11 120.78 2ay0 h GLN 43 Ca 0.16 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 2ay0 h GLN 43 Cb 0.18 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2ay0 h GLN 43 CO -0.01 0.70 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.37 2ay0 h LEU 44 N 1.08 0.00 -1.14 1.46 3.38 -1.04 -3.51 115.31 115.54 2ay0 h LEU 44 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2ay0 h LEU 44 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2ay0 h LEU 44 CO -0.06 0.41 0.00 -0.62 0.09 0.00 0.00 178.44 178.26