#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iox n LYS 2 N 0.00 -4.54 0.00 5.56 5.02 -1.26 -5.01 118.16 117.93 1iox n LYS 2 Ca 0.00 3.40 0.00 0.00 -2.02 0.00 0.00 58.31 59.69 1iox n LYS 2 Cb 0.00 -4.71 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iox n GLY 3 N 1.64 -0.02 3.15 0.72 0.00 -1.26 -5.15 105.19 104.27 1iox n GLY 3 Ca -0.26 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.63 1iox n GLY 3 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iox s HIS 4 N 0.00 -0.22 0.00 1.61 5.04 -1.26 -5.17 115.29 115.29 1iox s HIS 4 Ca 0.00 0.14 0.00 0.00 -1.54 0.00 0.00 55.06 53.66 1iox s HIS 4 Cb 0.00 0.04 0.00 0.00 0.04 0.00 0.00 32.58 32.66 1iox s HIS 4 CO 0.00 -0.13 0.00 1.19 -2.34 0.00 0.00 174.74 173.46 1iox n PHE 5 N 5.09 0.00 -3.78 3.88 3.72 -1.26 -4.95 117.46 120.17 1iox n PHE 5 Ca 0.08 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 1iox n PHE 5 Cb 0.58 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.99 1iox n PHE 5 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1iox s SER 6 N -1.00 -0.19 -0.21 4.37 0.01 -1.21 -5.01 113.70 110.46 1iox s SER 6 Ca 0.00 0.38 -0.26 0.00 1.31 0.00 0.00 55.95 57.38 1iox s SER 6 Cb 0.00 0.34 -0.00 0.00 0.21 0.00 0.00 66.02 66.56 1iox s SER 6 CO 0.00 -0.10 0.89 -0.13 0.41 0.00 0.00 173.24 174.30 1iox s ARG 7 N 0.55 4.24 0.19 12.44 3.00 -1.26 -1.64 118.95 136.47 1iox s ARG 7 Ca -0.04 1.08 -0.32 0.00 0.00 0.00 0.00 55.73 56.45 1iox s ARG 7 Cb -0.05 -3.62 -0.16 0.00 0.00 0.00 0.00 34.95 31.12 1iox s ARG 7 CO -0.03 -0.49 1.06 0.00 0.00 0.00 0.00 175.30 175.85 1iox s PRO 9 N -0.65 0.29 0.39 0.00 0.04 -1.26 -4.83 135.00 128.98 1iox s PRO 9 Ca 0.70 0.08 0.11 0.00 0.04 0.00 0.00 61.00 61.93 1iox s PRO 9 Cb -0.85 -1.76 0.79 0.00 0.04 0.00 0.00 34.50 32.71 1iox s PRO 9 CO 0.54 -2.73 1.90 0.87 0.04 0.00 0.00 177.00 177.62 1iox h LYS 10 N -1.88 0.16 0.00 4.56 1.57 -1.97 -1.57 116.57 117.44 1iox h LYS 10 Ca -0.48 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1iox h LYS 10 Cb 1.30 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1iox h LYS 10 CO 0.49 0.36 0.00 1.04 -0.57 0.00 0.00 179.45 180.77 1iox n GLN 11 N -4.23 0.05 0.00 3.15 6.02 -1.26 -1.98 117.38 119.12 1iox n GLN 11 Ca -0.01 0.28 0.01 0.00 -0.01 0.00 0.00 57.00 57.26 1iox n GLN 11 Cb 0.30 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1iox n TYR 12 N -1.43 0.00 -0.87 1.08 4.01 -0.63 -4.68 117.16 114.64 1iox n TYR 12 Ca 0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.60 1iox n TYR 12 Cb 0.11 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.18 1iox n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1iox n LYS 13 N -0.07 1.84 0.14 -0.72 5.02 -0.84 -4.25 118.16 119.28 1iox n LYS 13 Ca 0.01 -1.66 0.10 0.00 -2.02 0.00 0.00 58.31 54.74 1iox n LYS 13 Cb 0.03 -1.65 0.05 0.00 -0.02 0.00 0.00 35.03 33.44 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iox h HIS 14 N 1.44 0.00 -0.06 2.13 3.86 -1.83 -3.15 115.15 117.54 1iox h HIS 14 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1iox h HIS 14 Cb 0.97 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1iox h HIS 14 CO 0.84 0.09 0.00 2.48 0.86 0.00 0.00 177.93 182.20 1iox n TYR 15 N -2.88 0.06 -3.19 2.45 0.18 -1.26 -4.64 117.16 107.88 1iox n TYR 15 Ca 0.01 -0.03 0.02 0.00 1.88 0.00 0.00 57.90 59.78 1iox n TYR 15 Cb 0.59 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.54 1iox n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1iox h ILE 17 N 5.26 0.67 -0.60 0.00 2.04 -1.42 -3.30 117.51 120.15 1iox h ILE 17 Ca 0.03 -1.21 -0.36 0.00 1.00 0.00 0.00 64.86 64.32 1iox h ILE 17 Cb 1.18 1.18 -0.14 0.00 -0.74 0.00 0.00 36.82 38.30 1iox h ILE 17 CO 0.11 0.20 0.38 1.17 0.00 0.00 0.00 178.15 180.01 1iox n LYS 18 N -4.87 1.95 -3.85 2.37 4.81 -0.59 -4.87 118.16 113.10 1iox n LYS 18 Ca -0.06 -1.73 -0.11 0.00 -0.87 0.00 0.00 58.31 55.54 1iox n LYS 18 Cb 0.23 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1iox n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iox n GLY 19 N 0.55 1.48 2.99 3.14 0.00 -1.24 -2.05 105.19 110.05 1iox n GLY 19 Ca 0.35 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1iox n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iox s ARG 20 N -2.41 0.38 -0.11 1.61 1.70 -0.14 -4.93 118.95 115.06 1iox s ARG 20 Ca 0.22 -0.45 0.01 0.00 -0.47 0.00 0.00 55.73 55.04 1iox s ARG 20 Cb -0.03 -0.21 0.02 0.00 -0.57 0.00 0.00 34.95 34.15 1iox s ARG 20 CO 0.16 0.04 -0.14 0.00 -1.08 0.00 0.00 175.30 174.28 1iox s ARG 22 N 1.05 3.58 -0.33 0.00 0.52 0.11 -1.73 118.95 122.15 1iox s ARG 22 Ca -0.05 -0.01 -0.16 0.00 -0.52 0.00 0.00 55.73 54.98 1iox s ARG 22 Cb -0.15 -3.85 -0.02 0.00 0.52 0.00 0.00 34.95 31.46 1iox s ARG 22 CO -0.02 -0.86 0.42 0.12 0.02 0.00 0.00 175.30 174.99 1iox s PHE 23 N 2.86 3.21 -0.32 -0.53 2.19 -0.65 -1.87 117.98 122.88 1iox s PHE 23 Ca 0.26 0.17 -0.26 0.00 0.33 0.00 0.00 56.93 57.43 1iox s PHE 23 Cb -0.14 -2.74 0.01 0.00 -1.31 0.00 0.00 43.02 38.84 1iox s PHE 23 CO 0.17 -0.42 0.92 0.08 1.83 0.00 0.00 175.22 177.80 1iox s VAL 24 N 2.17 4.66 -0.10 3.12 1.01 -0.92 -3.31 120.40 127.02 1iox s VAL 24 Ca 0.15 1.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 1iox s VAL 24 Cb -0.16 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1iox s VAL 24 CO 0.12 -0.37 0.06 0.58 0.00 0.00 0.00 175.10 175.48 1iox h VAL 25 N 5.67 0.12 -0.94 2.92 2.07 -1.92 -2.62 116.25 121.56 1iox h VAL 25 Ca -0.23 -1.09 0.23 0.00 0.82 0.00 0.00 66.70 66.43 1iox h VAL 25 Cb 1.08 0.23 -0.17 0.00 -1.52 0.00 0.00 31.29 30.91 1iox h VAL 25 CO 0.95 0.04 -0.07 0.00 0.02 0.00 0.00 177.57 178.52 1iox h ALA 26 N -0.93 0.92 -3.44 1.67 0.00 -1.93 -3.08 119.26 112.47 1iox h ALA 26 Ca -0.00 0.34 -0.66 0.00 0.00 0.00 0.00 54.91 54.58 1iox h ALA 26 Cb 0.07 0.61 -0.39 0.00 0.00 0.00 0.00 17.79 18.08 1iox h ALA 26 CO 0.00 -0.48 -0.62 -1.21 0.00 0.00 0.00 179.25 176.94 1iox s GLU 27 N -6.11 1.87 -0.78 0.00 2.02 -1.25 -5.02 118.70 109.43 1iox s GLU 27 Ca -0.14 -2.23 -0.10 0.00 0.02 0.00 0.00 54.97 52.52 1iox s GLU 27 Cb 0.27 -3.37 -0.25 0.00 0.10 0.00 0.00 34.13 30.88 1iox s GLU 27 CO 0.77 -1.05 1.75 0.94 0.02 0.00 0.00 175.26 177.69 1iox n GLN 28 N 3.78 0.00 -3.32 1.61 7.27 -1.17 -4.55 117.38 121.01 1iox n GLN 28 Ca 0.04 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.95 1iox n GLN 28 Cb 0.38 -0.85 -0.07 0.00 2.41 0.00 0.00 30.24 32.11 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1iox s THR 29 N 1.30 -0.33 -0.20 1.69 2.01 -0.99 -4.99 115.64 114.12 1iox s THR 29 Ca 1.03 -1.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.61 1iox s THR 29 Cb -0.72 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.13 1iox s THR 29 CO 0.43 -0.59 1.24 -2.16 -0.69 0.00 0.00 174.62 172.85 1iox s PRO 30 N 1.25 4.16 -0.20 4.92 0.04 -1.26 -2.17 135.00 141.73 1iox s PRO 30 Ca 0.19 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1iox s PRO 30 Cb -0.12 -3.77 0.04 0.00 0.04 0.00 0.00 34.50 30.68 1iox s PRO 30 CO -0.04 -0.79 -0.13 -1.12 0.04 0.00 0.00 177.00 174.96 1iox s SER 31 N 2.06 3.52 0.17 6.66 0.01 -0.78 -5.00 113.70 120.33 1iox s SER 31 Ca 0.54 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1iox s SER 31 Cb -0.20 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 1iox s SER 31 CO 0.15 -0.12 0.33 0.00 0.41 0.00 0.00 173.24 174.02 1iox s VAL 33 N -1.78 0.14 0.22 0.00 1.01 0.61 -4.91 120.40 115.68 1iox s VAL 33 Ca 0.37 -1.14 0.11 0.00 0.00 0.00 0.00 61.98 61.31 1iox s VAL 33 Cb -0.11 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1iox s VAL 33 CO 0.29 -0.63 -0.21 0.00 0.00 0.00 0.00 175.10 174.55 1iox s ASP 35 N -3.06 6.69 0.30 0.00 1.01 -0.87 -4.87 116.67 115.87 1iox s ASP 35 Ca 0.24 2.35 0.05 0.00 0.71 0.00 0.00 52.55 55.90 1iox s ASP 35 Cb -0.06 -2.56 0.73 0.00 1.01 0.00 0.00 42.92 42.04 1iox s ASP 35 CO 0.11 -0.83 1.76 -0.33 0.21 0.00 0.00 175.17 176.09 1iox h GLU 36 N 8.21 0.68 -1.62 8.23 4.39 -1.98 0.12 114.58 132.61 1iox h GLU 36 Ca -0.41 -0.04 -0.30 0.00 0.34 0.00 0.00 59.36 58.95 1iox h GLU 36 Cb 1.19 -0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 29.56 1iox h GLU 36 CO 0.92 0.45 0.36 0.41 -1.16 0.00 0.00 179.01 179.99 1iox n GLY 37 N -1.33 3.93 3.77 -3.84 0.00 -1.26 -4.89 105.19 101.57 1iox n GLY 37 Ca 0.23 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1iox n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iox s TYR 38 N -1.56 1.96 -0.15 1.61 1.13 0.41 -1.92 117.35 118.82 1iox s TYR 38 Ca 0.30 -0.88 -0.05 0.00 -1.41 0.00 0.00 57.07 55.04 1iox s TYR 38 Cb 0.23 -1.71 0.07 0.00 -1.10 0.00 0.00 41.96 39.46 1iox s TYR 38 CO -0.02 0.14 0.27 0.42 -2.51 0.00 0.00 175.55 173.84 1iox s ILE 39 N -2.82 -0.42 0.00 -3.49 1.01 -0.68 -4.80 121.20 110.00 1iox s ILE 39 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1iox s ILE 39 Cb 0.02 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1iox s ILE 39 CO 0.09 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1iox n GLY 40 N 5.35 4.51 0.12 6.18 0.00 -1.26 -1.49 105.19 118.60 1iox n GLY 40 Ca -0.06 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 1iox n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iox h ALA 41 N 0.00 -0.21 -0.39 4.61 0.00 -2.00 -2.94 119.26 118.35 1iox h ALA 41 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1iox h ALA 41 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iox h ALA 41 CO 0.00 -0.46 0.00 0.54 0.00 0.00 0.00 179.25 179.33 1iox n ARG 42 N -5.04 3.16 -2.53 0.00 1.74 -1.26 -4.94 116.66 107.78 1iox n ARG 42 Ca -0.09 -1.92 -0.06 0.00 -0.77 0.00 0.00 57.85 55.02 1iox n ARG 42 Cb 0.22 -1.85 0.01 0.00 -1.02 0.00 0.00 32.46 29.82 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iox n GLU 44 N -0.33 0.65 -3.94 0.00 1.02 -1.23 -1.54 120.64 115.26 1iox n GLU 44 Ca 0.09 0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 57.06 1iox n GLU 44 Cb 0.35 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1iox s ARG 45 N -2.16 2.93 0.10 3.49 0.52 -0.56 -4.91 118.95 118.36 1iox s ARG 45 Ca -0.10 -1.10 0.05 0.00 -0.52 0.00 0.00 55.73 54.06 1iox s ARG 45 Cb 0.03 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1iox s ARG 45 CO 0.20 0.27 -0.12 0.54 0.02 0.00 0.00 175.30 176.21 1iox s VAL 46 N -2.18 1.09 -0.31 3.52 0.11 -1.26 -1.69 120.40 119.68 1iox s VAL 46 Ca 0.37 -1.64 0.16 0.00 -2.93 0.00 0.00 61.98 57.94 1iox s VAL 46 Cb -0.07 -1.39 0.47 0.00 -1.53 0.00 0.00 36.38 33.86 1iox s VAL 46 CO 0.26 -0.48 1.07 -0.67 -3.33 0.00 0.00 175.10 171.95 1iox n ASP 47 N 0.61 2.48 -4.52 3.54 -0.08 -0.81 -4.86 116.55 112.91 1iox n ASP 47 Ca -0.16 -2.74 -0.29 0.00 -1.51 0.00 0.00 54.79 50.09 1iox n ASP 47 Cb 0.57 -0.47 0.14 0.00 2.34 0.00 0.00 41.12 43.70 1iox n ASP 47 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1iox s LEU 48 N -3.52 2.57 -0.19 -2.67 0.05 -1.26 -4.92 118.68 108.73 1iox s LEU 48 Ca 0.34 0.54 0.00 0.00 0.05 0.00 0.00 54.13 55.06 1iox s LEU 48 Cb 0.39 -2.81 0.19 0.00 -2.05 0.00 0.00 46.19 41.91 1iox s LEU 48 CO -0.02 -2.34 1.65 0.49 -0.55 0.00 0.00 176.35 175.57 1iox n PHE 49 N -3.56 1.06 0.00 3.48 3.72 -1.26 -5.21 117.46 115.69 1iox n PHE 49 Ca 0.11 -1.31 0.00 0.00 -0.05 0.00 0.00 57.45 56.21 1iox n PHE 49 Cb 0.60 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1iox n PHE 49 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19