#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 0.00 -1.60 -0.14 5.02 -1.26 -5.13 118.16 115.05 1iox n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iox n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 3.97 -4.71 2.50 0.72 0.00 -1.26 -5.03 105.19 101.39 1iox n GLY 3 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1iox n GLY 3 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iox n HIS 4 N 1.15 -2.03 -0.82 1.61 8.25 -1.26 -5.13 115.22 117.00 1iox n HIS 4 Ca 0.00 -2.56 0.00 0.00 -0.26 0.00 0.00 57.72 54.90 1iox n HIS 4 Cb 0.00 0.71 0.00 0.00 1.12 0.00 0.00 29.99 31.82 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1iox n PHE 5 N 1.59 0.00 -3.96 4.41 3.72 -1.26 -4.90 117.46 117.06 1iox n PHE 5 Ca 0.15 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 1iox n PHE 5 Cb 0.58 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.27 -0.36 4.37 0.01 -1.20 -4.98 113.70 110.81 1iox s SER 6 Ca 0.00 -0.03 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 1iox s SER 6 Cb 0.00 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 1iox s SER 6 CO 0.00 -0.01 0.25 -0.60 0.41 0.00 0.00 173.24 173.29 1iox s ARG 7 N 0.21 3.34 0.12 12.44 3.52 -1.26 -1.72 118.95 135.60 1iox s ARG 7 Ca -0.02 -0.75 -0.31 0.00 -0.13 0.00 0.00 55.73 54.52 1iox s ARG 7 Cb -0.04 -3.84 -0.11 0.00 -1.56 0.00 0.00 34.95 29.41 1iox s ARG 7 CO -0.01 -0.52 1.84 0.00 -0.81 0.00 0.00 175.30 175.80 1iox s PRO 9 N 2.82 -0.59 0.49 0.00 0.04 -1.26 -4.70 135.00 131.79 1iox s PRO 9 Ca 0.82 -0.20 0.24 0.00 0.04 0.00 0.00 61.00 61.91 1iox s PRO 9 Cb -0.49 -1.68 1.26 0.00 0.04 0.00 0.00 34.50 33.63 1iox s PRO 9 CO 0.38 -3.27 2.00 0.87 0.04 0.00 0.00 177.00 177.02 1iox h LYS 10 N -2.26 0.00 0.00 4.56 1.57 -1.98 -1.93 116.57 116.54 1iox h LYS 10 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1iox h LYS 10 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1iox h LYS 10 CO 0.35 0.17 0.00 0.37 -0.57 0.00 0.00 179.45 179.77 1iox h GLN 11 N 0.00 0.00 -0.33 3.15 5.75 -2.01 -2.10 115.11 119.57 1iox h GLN 11 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1iox h GLN 11 Cb 0.43 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1iox h GLN 11 CO 0.02 0.00 0.00 0.66 -2.65 0.00 0.00 178.83 176.86 1iox n TYR 12 N -3.07 0.51 -1.28 3.99 4.01 -0.74 -4.68 117.16 115.90 1iox n TYR 12 Ca -0.01 -0.54 -0.22 0.00 -0.16 0.00 0.00 57.90 56.97 1iox n TYR 12 Cb 0.21 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.39 2.20 0.11 -0.72 4.76 -0.79 -4.33 118.16 119.78 1iox n LYS 13 Ca 0.12 -1.97 0.06 0.00 -2.87 0.00 0.00 58.31 53.65 1iox n LYS 13 Cb 0.47 -1.99 0.01 0.00 -1.84 0.00 0.00 35.03 31.68 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1iox h HIS 14 N 2.63 0.00 -0.01 2.13 3.86 -1.83 -3.14 115.15 118.78 1iox h HIS 14 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1iox h HIS 14 Cb 0.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1iox h HIS 14 CO 1.34 0.32 -0.04 2.48 0.86 0.00 0.00 177.93 182.88 1iox n TYR 15 N -2.97 0.00 -3.45 2.45 0.18 -1.26 -4.78 117.16 107.33 1iox n TYR 15 Ca -0.02 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.77 1iox n TYR 15 Cb 0.69 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.60 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 5.97 0.00 -3.02 0.00 2.04 -1.49 -3.40 117.51 117.61 1iox h ILE 17 Ca -0.20 -0.50 -0.76 0.00 1.00 0.00 0.00 64.86 64.40 1iox h ILE 17 Cb 1.12 0.00 -0.31 0.00 -0.74 0.00 0.00 36.82 36.89 1iox h ILE 17 CO 0.15 0.00 0.39 2.29 0.00 0.00 0.00 178.15 180.99 1iox n LYS 18 N -3.77 3.73 -3.81 2.37 2.85 -0.92 -4.98 118.16 113.63 1iox n LYS 18 Ca -0.02 -4.54 -0.08 0.00 -1.05 0.00 0.00 58.31 52.62 1iox n LYS 18 Cb 0.05 -2.47 0.02 0.00 -0.65 0.00 0.00 35.03 31.99 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 -0.96 0.33 -0.10 2.58 0.00 -1.26 -2.29 107.32 105.62 1iox s GLY 19 Ca 0.32 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 1iox s GLY 19 CO 0.01 -0.20 -0.05 0.50 0.00 0.00 0.00 173.10 173.36 1iox s ARG 20 N -2.40 1.28 -0.15 2.90 0.52 -0.11 -4.88 118.95 116.11 1iox s ARG 20 Ca 0.15 -0.16 -0.04 0.00 -0.52 0.00 0.00 55.73 55.16 1iox s ARG 20 Cb -0.05 -1.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.96 1iox s ARG 20 CO 0.11 -0.28 -0.00 0.00 0.02 0.00 0.00 175.30 175.15 1iox s ARG 22 N 0.07 3.74 -0.42 0.00 0.52 0.62 -1.93 118.95 121.55 1iox s ARG 22 Ca 0.02 -0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 1iox s ARG 22 Cb -0.13 -3.39 0.06 0.00 0.52 0.00 0.00 34.95 32.01 1iox s ARG 22 CO 0.02 -0.15 0.27 0.12 0.02 0.00 0.00 175.30 175.58 1iox s PHE 23 N 1.55 3.29 -0.26 -0.53 2.19 -0.70 -0.94 117.98 122.58 1iox s PHE 23 Ca 0.06 -1.21 -0.28 0.00 0.33 0.00 0.00 56.93 55.84 1iox s PHE 23 Cb -0.15 -2.82 0.01 0.00 -1.31 0.00 0.00 43.02 38.74 1iox s PHE 23 CO 0.05 -0.77 0.98 0.08 1.83 0.00 0.00 175.22 177.39 1iox s VAL 24 N 1.51 4.69 -0.07 3.12 1.01 -0.96 -3.26 120.40 126.44 1iox s VAL 24 Ca 0.03 1.80 -0.00 0.00 0.00 0.00 0.00 61.98 63.81 1iox s VAL 24 Cb -0.22 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 1iox s VAL 24 CO 0.05 -0.23 -0.01 0.58 0.00 0.00 0.00 175.10 175.49 1iox h VAL 25 N 5.52 0.00 -0.99 2.92 2.07 -1.90 -2.61 116.25 121.25 1iox h VAL 25 Ca -0.21 -0.70 0.20 0.00 0.82 0.00 0.00 66.70 66.82 1iox h VAL 25 Cb 1.07 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.65 1iox h VAL 25 CO 0.96 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 178.33 1iox h ALA 26 N -1.30 0.69 -3.19 1.67 0.00 -1.92 -2.95 119.26 112.26 1iox h ALA 26 Ca 0.00 0.38 -0.69 0.00 0.00 0.00 0.00 54.91 54.60 1iox h ALA 26 Cb 0.03 0.74 -0.36 0.00 0.00 0.00 0.00 17.79 18.20 1iox h ALA 26 CO 0.00 -0.40 -0.42 -1.21 0.00 0.00 0.00 179.25 177.23 1iox s GLU 27 N -6.24 2.42 -0.68 0.00 2.02 -1.26 -5.01 118.70 109.96 1iox s GLU 27 Ca -0.15 -2.43 -0.08 0.00 0.02 0.00 0.00 54.97 52.33 1iox s GLU 27 Cb 0.27 -3.67 -0.22 0.00 0.10 0.00 0.00 34.13 30.61 1iox s GLU 27 CO 0.78 -1.15 1.50 1.04 0.02 0.00 0.00 175.26 177.45 1iox n GLN 28 N 3.62 0.00 -3.20 1.61 3.00 -1.12 -4.58 117.38 116.71 1iox n GLN 28 Ca 0.06 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.87 1iox n GLN 28 Cb 0.38 -0.72 -0.06 0.00 0.00 0.00 0.00 30.24 29.84 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1iox s THR 29 N 0.78 -0.23 -1.08 5.09 2.01 -0.99 -5.00 115.64 116.23 1iox s THR 29 Ca 0.90 -1.73 -0.22 0.00 0.31 0.00 0.00 61.69 60.94 1iox s THR 29 Cb -0.61 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.19 1iox s THR 29 CO 0.38 -0.71 1.66 -2.16 -0.69 0.00 0.00 174.62 173.10 1iox s PRO 30 N 0.65 3.38 0.14 4.92 0.04 -1.26 -2.27 135.00 140.60 1iox s PRO 30 Ca 0.28 -1.17 -0.16 0.00 0.04 0.00 0.00 61.00 59.99 1iox s PRO 30 Cb -0.02 -5.33 -0.07 0.00 0.04 0.00 0.00 34.50 29.11 1iox s PRO 30 CO -0.11 -2.62 0.57 -1.12 0.04 0.00 0.00 177.00 173.76 1iox s SER 31 N 5.54 6.89 -0.07 6.66 0.01 -0.11 -4.96 113.70 127.67 1iox s SER 31 Ca 0.55 1.15 0.04 0.00 1.31 0.00 0.00 55.95 58.99 1iox s SER 31 Cb -0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1iox s SER 31 CO -0.02 0.13 -0.19 0.00 0.41 0.00 0.00 173.24 173.57 1iox s VAL 33 N 0.24 1.47 0.09 0.00 1.01 -0.07 -4.94 120.40 118.20 1iox s VAL 33 Ca -0.11 -2.01 -0.02 0.00 0.00 0.00 0.00 61.98 59.85 1iox s VAL 33 Cb -0.15 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1iox s VAL 33 CO 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 175.10 175.16 1iox n ASP 35 N 0.01 2.31 -0.26 0.00 8.00 -0.97 -4.78 116.55 120.86 1iox n ASP 35 Ca -0.10 1.08 0.07 0.00 0.71 0.00 0.00 54.79 56.55 1iox n ASP 35 Cb 0.62 -1.20 0.20 0.00 -0.02 0.00 0.00 41.12 40.73 1iox n ASP 35 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1iox h GLU 36 N 6.55 0.22 -1.66 -1.24 4.57 -1.99 0.21 114.58 121.25 1iox h GLU 36 Ca -0.47 -0.01 -0.35 0.00 -1.18 0.00 0.00 59.36 57.34 1iox h GLU 36 Cb 1.32 -0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 29.71 1iox h GLU 36 CO 0.90 0.15 0.38 0.41 -1.18 0.00 0.00 179.01 179.66 1iox n GLY 37 N -1.37 4.10 3.76 1.92 0.00 -1.26 -4.90 105.19 107.44 1iox n GLY 37 Ca 0.16 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.66 2.20 -0.04 1.61 1.13 0.74 -2.08 117.35 119.24 1iox s TYR 38 Ca 0.38 -0.75 -0.16 0.00 -1.41 0.00 0.00 57.07 55.14 1iox s TYR 38 Cb 0.27 -1.84 0.03 0.00 -1.10 0.00 0.00 41.96 39.33 1iox s TYR 38 CO -0.06 0.09 0.35 0.42 -2.51 0.00 0.00 175.55 173.85 1iox s ILE 39 N -2.72 0.04 0.00 -3.49 1.09 0.15 -4.82 121.20 111.46 1iox s ILE 39 Ca 0.29 -0.34 0.00 0.00 -1.10 0.00 0.00 60.65 59.50 1iox s ILE 39 Cb 0.03 -0.62 0.00 0.00 -1.06 0.00 0.00 42.46 40.81 1iox s ILE 39 CO 0.17 -0.19 0.00 0.61 -0.10 0.00 0.00 174.94 175.43 1iox n GLY 40 N 1.58 3.12 0.10 6.18 0.00 -1.26 -1.51 105.19 113.40 1iox n GLY 40 Ca -0.20 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 43.95 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 0.59 -0.41 4.61 0.00 -2.00 -3.15 119.26 118.90 1iox h ALA 41 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1iox h ALA 41 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1iox h ALA 41 CO 0.00 1.00 0.00 0.54 0.00 0.00 0.00 179.25 180.79 1iox n ARG 42 N -3.59 2.53 -2.40 0.00 1.74 -1.26 -4.98 116.66 108.70 1iox n ARG 42 Ca -0.02 -2.32 -0.03 0.00 -0.77 0.00 0.00 57.85 54.71 1iox n ARG 42 Cb 0.80 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.81 2.56 -3.25 0.00 0.00 -1.20 -2.18 120.64 114.76 1iox n GLU 44 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.71 1iox n GLU 44 Cb 0.52 -0.85 -0.07 0.00 0.00 0.00 0.00 31.44 31.04 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 -1.70 3.09 0.34 5.31 0.52 -0.57 -4.98 118.95 120.97 1iox s ARG 45 Ca 0.00 -0.91 -0.08 0.00 -0.52 0.00 0.00 55.73 54.22 1iox s ARG 45 Cb 0.00 -4.06 -0.06 0.00 0.52 0.00 0.00 34.95 31.36 1iox s ARG 45 CO 0.00 -1.06 0.66 0.54 0.02 0.00 0.00 175.30 175.46 1iox s VAL 46 N 2.30 4.91 -0.78 3.52 0.11 -1.26 0.34 120.40 129.54 1iox s VAL 46 Ca 0.12 0.33 0.08 0.00 -2.93 0.00 0.00 61.98 59.59 1iox s VAL 46 Cb -0.19 -3.73 0.44 0.00 -1.53 0.00 0.00 36.38 31.37 1iox s VAL 46 CO 0.12 -0.42 1.21 -0.67 -3.33 0.00 0.00 175.10 172.01 1iox n ASP 47 N -1.11 3.43 -2.80 3.54 2.03 -0.88 -4.36 116.55 116.41 1iox n ASP 47 Ca 0.00 -2.44 -0.10 0.00 0.52 0.00 0.00 54.79 52.77 1iox n ASP 47 Cb 0.54 -0.56 0.06 0.00 -0.72 0.00 0.00 41.12 40.44 1iox n ASP 47 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1iox n LEU 48 N 0.39 -2.22 -0.08 -2.67 0.00 -1.26 -5.01 117.00 106.15 1iox n LEU 48 Ca 0.15 -3.69 -0.13 0.00 0.00 0.00 0.00 56.01 52.34 1iox n LEU 48 Cb 0.72 0.87 -0.07 0.00 0.00 0.00 0.00 43.42 44.93 1iox n LEU 48 CO 0.17 2.06 -0.29 -0.26 0.00 0.00 0.00 177.39 179.07 1iox h PHE 49 N 3.47 0.00 -0.00 1.96 0.04 -2.00 -3.54 116.94 116.86 1iox h PHE 49 Ca -0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1iox h PHE 49 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1iox h PHE 49 CO 0.21 0.79 0.00 0.98 -0.60 0.00 0.00 178.31 179.69