#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 -2.63 -3.37 5.56 4.76 -1.26 -4.75 118.16 116.48 1iox n LYS 2 Ca 0.00 2.09 -0.38 0.00 -2.87 0.00 0.00 58.31 57.15 1iox n LYS 2 Cb 0.00 -3.20 -0.06 0.00 -1.84 0.00 0.00 35.03 29.93 1iox n LYS 2 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1iox s GLY 3 N -6.67 2.46 -0.34 0.72 0.00 -1.26 -4.98 107.32 97.25 1iox s GLY 3 Ca 0.00 -0.16 0.16 0.00 0.00 0.00 0.00 44.72 44.71 1iox s GLY 3 CO 0.00 0.53 1.09 1.57 0.00 0.00 0.00 173.10 176.30 1iox n HIS 4 N 2.82 0.06 -1.24 1.90 -0.00 -1.26 -5.10 115.22 112.39 1iox n HIS 4 Ca -0.10 -2.47 0.00 0.00 0.46 0.00 0.00 57.72 55.61 1iox n HIS 4 Cb 0.52 0.24 0.00 0.00 -0.12 0.00 0.00 29.99 30.63 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1iox n PHE 5 N -0.29 0.00 -5.20 1.57 3.72 -1.26 -5.08 117.46 110.91 1iox n PHE 5 Ca 0.05 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.13 1iox n PHE 5 Cb 0.83 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.21 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 3.22 -0.44 4.37 0.01 -1.24 -5.02 113.70 115.60 1iox s SER 6 Ca 0.00 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.61 1iox s SER 6 Cb 0.00 -0.91 0.03 0.00 0.21 0.00 0.00 66.02 65.35 1iox s SER 6 CO 0.00 0.25 0.48 -0.60 0.41 0.00 0.00 173.24 173.78 1iox s ARG 7 N -0.16 3.11 -0.25 12.44 3.52 -1.26 -2.03 118.95 134.31 1iox s ARG 7 Ca -0.03 -0.78 -0.40 0.00 -0.13 0.00 0.00 55.73 54.40 1iox s ARG 7 Cb -0.14 -3.99 -0.15 0.00 -1.56 0.00 0.00 34.95 29.11 1iox s ARG 7 CO 0.04 -0.93 1.75 0.00 -0.81 0.00 0.00 175.30 175.35 1iox s PRO 9 N 3.53 -0.63 0.22 0.00 0.04 -1.26 -4.62 135.00 132.28 1iox s PRO 9 Ca 0.98 0.06 -0.09 0.00 0.04 0.00 0.00 61.00 61.99 1iox s PRO 9 Cb -1.04 -1.65 0.19 0.00 0.04 0.00 0.00 34.50 32.04 1iox s PRO 9 CO 0.64 -3.34 1.89 -0.22 0.04 0.00 0.00 177.00 176.01 1iox h LYS 10 N -2.32 1.11 0.00 4.56 1.63 -1.95 -0.73 116.57 118.87 1iox h LYS 10 Ca -0.48 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 1iox h LYS 10 Cb 1.30 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1iox h LYS 10 CO 0.41 0.75 0.00 1.96 -3.45 0.00 0.00 179.45 179.12 1iox h GLN 11 N 1.13 0.00 -0.00 1.90 4.20 -2.01 -1.83 115.11 118.51 1iox h GLN 11 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1iox h GLN 11 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1iox h GLN 11 CO -0.06 0.00 -0.94 0.66 -0.67 0.00 0.00 178.83 177.82 1iox n TYR 12 N -3.02 0.00 -1.71 2.96 4.01 -0.45 -4.53 117.16 114.41 1iox n TYR 12 Ca -0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.37 1iox n TYR 12 Cb 0.18 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1iox n TYR 12 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1iox n LYS 13 N -1.32 3.88 0.11 -0.72 4.81 -0.41 -4.47 118.16 120.04 1iox n LYS 13 Ca 0.05 -2.88 0.12 0.00 -0.87 0.00 0.00 58.31 54.73 1iox n LYS 13 Cb 0.35 -2.53 0.16 0.00 0.02 0.00 0.00 35.03 33.02 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1iox h HIS 14 N 4.28 0.00 -0.01 5.64 3.86 -1.80 -3.15 115.15 123.97 1iox h HIS 14 Ca 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.86 1iox h HIS 14 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1iox h HIS 14 CO 1.64 0.00 -0.13 2.48 0.86 0.00 0.00 177.93 182.79 1iox n TYR 15 N -2.51 0.00 -3.64 2.45 0.18 -1.26 -4.83 117.16 107.55 1iox n TYR 15 Ca 0.03 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.75 1iox n TYR 15 Cb 0.49 -0.06 -0.06 0.00 -0.38 0.00 0.00 39.34 39.32 1iox n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1iox n ILE 17 N 4.55 0.00 -2.13 0.00 5.41 -0.80 -4.44 119.36 121.95 1iox n ILE 17 Ca -0.18 0.29 -0.41 0.00 1.00 0.00 0.00 62.75 63.45 1iox n ILE 17 Cb 0.57 -0.92 -0.00 0.00 -0.71 0.00 0.00 39.64 38.58 1iox n ILE 17 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1iox n LYS 18 N -1.45 4.16 -3.64 0.38 2.85 -0.97 -4.86 118.16 114.63 1iox n LYS 18 Ca 0.00 -3.47 -0.09 0.00 -1.05 0.00 0.00 58.31 53.69 1iox n LYS 18 Cb 0.00 -2.76 -0.07 0.00 -0.65 0.00 0.00 35.03 31.55 1iox n LYS 18 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1iox s GLY 19 N 0.58 -0.60 -0.12 2.58 0.00 -1.26 -2.29 107.32 106.21 1iox s GLY 19 Ca 0.48 2.31 -0.14 0.00 0.00 0.00 0.00 44.72 47.37 1iox s GLY 19 CO -0.05 2.20 0.32 0.50 0.00 0.00 0.00 173.10 176.07 1iox s ARG 20 N 1.23 4.13 -0.09 2.90 3.00 0.14 -4.77 118.95 125.49 1iox s ARG 20 Ca -0.07 0.17 0.04 0.00 0.00 0.00 0.00 55.73 55.88 1iox s ARG 20 Cb -0.05 -3.37 -0.01 0.00 0.00 0.00 0.00 34.95 31.52 1iox s ARG 20 CO -0.13 0.36 -0.22 0.00 0.00 0.00 0.00 175.30 175.30 1iox s ARG 22 N 0.12 4.08 -0.29 0.00 6.06 0.03 -1.56 118.95 127.38 1iox s ARG 22 Ca -0.11 -0.13 -0.04 0.00 -2.50 0.00 0.00 55.73 52.95 1iox s ARG 22 Cb -0.16 -3.56 0.03 0.00 0.06 0.00 0.00 34.95 31.32 1iox s ARG 22 CO 0.06 -0.03 0.03 0.12 -2.50 0.00 0.00 175.30 172.99 1iox s PHE 23 N 1.30 3.17 -0.30 5.12 2.19 -0.86 -1.86 117.98 126.75 1iox s PHE 23 Ca 0.11 -1.43 -0.25 0.00 0.33 0.00 0.00 56.93 55.69 1iox s PHE 23 Cb -0.14 -2.17 0.00 0.00 -1.31 0.00 0.00 43.02 39.40 1iox s PHE 23 CO 0.07 -0.70 0.87 0.08 1.83 0.00 0.00 175.22 177.36 1iox s VAL 24 N 1.38 4.73 -0.07 3.12 1.01 -0.97 -3.65 120.40 125.94 1iox s VAL 24 Ca -0.01 1.38 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 1iox s VAL 24 Cb -0.18 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1iox s VAL 24 CO -0.00 -0.28 -0.01 0.58 0.00 0.00 0.00 175.10 175.39 1iox h VAL 25 N 5.61 0.00 -1.05 2.92 2.07 -1.97 -2.58 116.25 121.25 1iox h VAL 25 Ca -0.23 -0.69 0.40 0.00 0.82 0.00 0.00 66.70 67.00 1iox h VAL 25 Cb 1.09 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.69 1iox h VAL 25 CO 0.92 0.00 0.59 0.00 0.02 0.00 0.00 177.57 179.10 1iox h ALA 26 N -1.31 2.21 -3.33 1.67 0.00 -2.00 -2.94 119.26 113.56 1iox h ALA 26 Ca 0.00 0.23 -0.63 0.00 0.00 0.00 0.00 54.91 54.51 1iox h ALA 26 Cb 0.03 0.28 -0.41 0.00 0.00 0.00 0.00 17.79 17.69 1iox h ALA 26 CO 0.00 -0.95 -0.68 -2.00 0.00 0.00 0.00 179.25 175.62 1iox s GLU 27 N -5.52 1.65 -0.75 0.00 2.12 -1.25 -5.03 118.70 109.92 1iox s GLU 27 Ca -0.09 -2.25 -0.09 0.00 0.36 0.00 0.00 54.97 52.90 1iox s GLU 27 Cb 0.33 -2.99 -0.25 0.00 0.26 0.00 0.00 34.13 31.48 1iox s GLU 27 CO 0.79 -1.08 1.66 1.04 -0.54 0.00 0.00 175.26 177.13 1iox n GLN 28 N 3.52 0.00 -3.21 4.30 1.13 -1.11 -4.53 117.38 117.48 1iox n GLN 28 Ca 0.05 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.94 1iox n GLN 28 Cb 0.35 -0.79 -0.06 0.00 0.11 0.00 0.00 30.24 29.84 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1iox s THR 29 N 0.76 -0.26 0.03 5.09 2.01 -0.98 -4.99 115.64 117.30 1iox s THR 29 Ca 1.00 -1.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.08 1iox s THR 29 Cb -0.67 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1iox s THR 29 CO 0.42 -0.68 0.85 -2.16 -0.69 0.00 0.00 174.62 172.37 1iox s PRO 30 N 0.73 4.55 -0.17 4.92 0.04 -1.26 -2.30 135.00 141.51 1iox s PRO 30 Ca 0.27 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 1iox s PRO 30 Cb -0.04 -3.41 0.08 0.00 0.04 0.00 0.00 34.50 31.18 1iox s PRO 30 CO -0.10 0.14 0.32 -1.54 0.04 0.00 0.00 177.00 175.86 1iox s SER 31 N 0.37 0.24 0.21 6.66 1.04 -0.78 -5.01 113.70 116.44 1iox s SER 31 Ca 0.44 0.61 -0.02 0.00 0.48 0.00 0.00 55.95 57.46 1iox s SER 31 Cb -0.21 0.92 -0.05 0.00 0.10 0.00 0.00 66.02 66.78 1iox s SER 31 CO 0.25 -0.25 0.42 0.00 0.98 0.00 0.00 173.24 174.64 1iox s VAL 33 N -1.88 -0.06 0.27 0.00 1.01 0.20 -4.92 120.40 115.03 1iox s VAL 33 Ca 0.40 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1iox s VAL 33 Cb -0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1iox s VAL 33 CO 0.28 0.17 0.44 0.00 0.00 0.00 0.00 175.10 176.00 1iox n ASP 35 N -1.30 2.02 -0.26 0.00 2.03 -0.97 -4.81 116.55 113.26 1iox n ASP 35 Ca -0.06 1.10 0.06 0.00 0.52 0.00 0.00 54.79 56.41 1iox n ASP 35 Cb 0.56 -1.23 0.17 0.00 -0.72 0.00 0.00 41.12 39.90 1iox n ASP 35 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1iox h GLU 36 N 5.25 0.11 -1.77 -0.67 4.81 -1.95 0.15 114.58 120.52 1iox h GLU 36 Ca -0.47 -0.01 -0.42 0.00 -0.13 0.00 0.00 59.36 58.33 1iox h GLU 36 Cb 1.32 -0.03 -0.16 0.00 0.63 0.00 0.00 28.75 30.51 1iox h GLU 36 CO 0.82 0.07 0.39 0.41 -0.73 0.00 0.00 179.01 179.98 1iox n GLY 37 N -1.41 4.25 3.68 1.92 0.00 -1.26 -4.92 105.19 107.45 1iox n GLY 37 Ca 0.14 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.74 2.66 0.04 1.61 1.13 0.53 -2.12 117.35 119.45 1iox s TYR 38 Ca 0.47 -0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.77 1iox s TYR 38 Cb 0.32 -1.49 -0.03 0.00 -1.10 0.00 0.00 41.96 39.66 1iox s TYR 38 CO -0.12 0.45 -0.04 0.42 -2.51 0.00 0.00 175.55 173.74 1iox s ILE 39 N -2.43 0.28 0.00 -3.49 -1.09 -0.75 -4.68 121.20 109.04 1iox s ILE 39 Ca 0.35 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 1iox s ILE 39 Cb -0.03 -0.77 0.00 0.00 -1.58 0.00 0.00 42.46 40.08 1iox s ILE 39 CO 0.21 -0.63 0.00 0.61 -1.23 0.00 0.00 174.94 173.90 1iox n GLY 40 N 1.05 2.61 0.19 6.18 0.00 -1.26 -1.34 105.19 112.63 1iox n GLY 40 Ca -0.20 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.10 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 0.81 -0.26 4.61 0.00 -1.99 -2.86 119.26 119.57 1iox h ALA 41 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1iox h ALA 41 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1iox h ALA 41 CO 0.00 0.69 0.00 0.54 0.00 0.00 0.00 179.25 180.48 1iox n ARG 42 N -3.93 2.05 -3.03 0.00 1.74 -1.26 -4.93 116.66 107.29 1iox n ARG 42 Ca -0.03 -1.58 -0.13 0.00 -0.77 0.00 0.00 57.85 55.35 1iox n ARG 42 Cb 0.59 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.65 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 -3.05 1.35 -3.91 0.00 -0.00 -1.24 -2.29 120.64 111.51 1iox n GLU 44 Ca -0.06 -0.05 -0.22 0.00 -0.00 0.00 0.00 57.16 56.83 1iox n GLU 44 Cb 0.56 -1.29 -0.05 0.00 -0.00 0.00 0.00 31.44 30.66 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1iox s ARG 45 N -2.70 2.47 0.03 3.44 0.52 -0.45 -5.03 118.95 117.24 1iox s ARG 45 Ca 0.02 -1.53 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 1iox s ARG 45 Cb 0.12 -2.27 -0.02 0.00 0.52 0.00 0.00 34.95 33.30 1iox s ARG 45 CO 0.66 -0.00 -0.06 0.54 0.02 0.00 0.00 175.30 176.46 1iox s VAL 46 N -2.43 0.40 -0.81 3.52 0.11 -1.26 -1.81 120.40 118.12 1iox s VAL 46 Ca 0.41 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.48 1iox s VAL 46 Cb -0.02 -0.49 0.34 0.00 -1.53 0.00 0.00 36.38 34.68 1iox s VAL 46 CO 0.25 -0.40 1.54 -0.67 -3.33 0.00 0.00 175.10 172.48 1iox n ASP 47 N 1.56 6.30 -4.32 3.54 -0.08 -0.90 -4.73 116.55 117.92 1iox n ASP 47 Ca -0.23 -3.72 -0.16 0.00 -1.51 0.00 0.00 54.79 49.17 1iox n ASP 47 Cb 0.55 -0.90 -0.10 0.00 2.34 0.00 0.00 41.12 43.00 1iox n ASP 47 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1iox s LEU 48 N -3.97 1.81 0.00 -2.67 1.02 -1.26 -4.93 118.68 108.68 1iox s LEU 48 Ca 0.45 -1.33 0.29 0.00 0.02 0.00 0.00 54.13 53.56 1iox s LEU 48 Cb 0.28 -0.05 1.34 0.00 0.02 0.00 0.00 46.19 47.78 1iox s LEU 48 CO -0.19 -0.67 1.91 0.49 0.02 0.00 0.00 176.35 177.91 1iox n PHE 49 N -0.44 0.00 0.00 0.29 3.72 -1.26 -5.24 117.46 114.53 1iox n PHE 49 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1iox n PHE 49 Cb 0.66 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 1iox n PHE 49 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69