#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 -2.02 0.00 5.56 4.81 -1.26 -4.14 118.16 121.11 1iox n LYS 2 Ca 0.00 1.56 0.00 0.00 -0.87 0.00 0.00 58.31 59.00 1iox n LYS 2 Cb 0.00 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.30 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iox n GLY 3 N -0.19 2.60 2.46 3.14 0.00 -1.26 -4.89 105.19 107.05 1iox n GLY 3 Ca -0.05 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 1iox n GLY 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iox n HIS 4 N 6.84 -2.16 -2.23 1.61 -0.00 -1.26 -5.07 115.22 112.95 1iox n HIS 4 Ca 0.00 0.85 0.00 0.00 0.46 0.00 0.00 57.72 59.03 1iox n HIS 4 Cb 0.00 -3.23 0.00 0.00 -0.12 0.00 0.00 29.99 26.64 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 -0.92 0.00 -5.04 1.57 3.72 -1.26 -5.02 117.46 110.50 1iox n PHE 5 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1iox n PHE 5 Cb 0.40 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.60 3.11 0.21 4.37 0.01 -1.15 -5.03 113.70 115.83 1iox s SER 6 Ca 0.00 -0.57 -0.25 0.00 1.31 0.00 0.00 55.95 56.44 1iox s SER 6 Cb 0.00 -1.42 -0.08 0.00 0.21 0.00 0.00 66.02 64.72 1iox s SER 6 CO 0.00 0.14 0.81 -0.60 0.41 0.00 0.00 173.24 173.99 1iox s ARG 7 N 0.49 4.53 -0.04 12.44 3.52 -1.26 -1.56 118.95 137.06 1iox s ARG 7 Ca -0.15 1.15 -0.26 0.00 -0.13 0.00 0.00 55.73 56.34 1iox s ARG 7 Cb -0.17 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1iox s ARG 7 CO 0.06 0.48 0.81 0.00 -0.81 0.00 0.00 175.30 175.83 1iox s PRO 9 N 0.88 2.94 0.51 0.00 0.04 -1.26 -4.70 135.00 133.41 1iox s PRO 9 Ca 0.43 1.14 0.34 0.00 0.04 0.00 0.00 61.00 62.95 1iox s PRO 9 Cb -0.19 -1.98 1.69 0.00 0.04 0.00 0.00 34.50 34.05 1iox s PRO 9 CO 0.22 -1.11 2.04 0.87 0.04 0.00 0.00 177.00 179.06 1iox h LYS 10 N -0.28 0.00 0.00 4.56 1.79 -1.98 -2.00 116.57 118.66 1iox h LYS 10 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1iox h LYS 10 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1iox h LYS 10 CO 0.56 0.00 0.00 0.37 -1.08 0.00 0.00 179.45 179.30 1iox h GLN 11 N 0.00 0.00 -0.01 3.15 5.75 -2.03 -2.40 115.11 119.57 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 0.21 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 1iox h GLN 11 CO 0.00 0.00 -0.05 0.66 -2.65 0.00 0.00 178.83 176.79 1iox n TYR 12 N -2.96 0.03 -1.49 3.99 4.01 -0.75 -4.79 117.16 115.20 1iox n TYR 12 Ca -0.01 -1.05 -0.27 0.00 -0.16 0.00 0.00 57.90 56.41 1iox n TYR 12 Cb 0.18 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.38 2.44 0.10 -0.72 5.02 -0.90 -4.40 118.16 118.31 1iox n LYS 13 Ca 0.17 -2.33 0.12 0.00 -2.02 0.00 0.00 58.31 54.25 1iox n LYS 13 Cb 0.65 -2.15 0.17 0.00 -0.02 0.00 0.00 35.03 33.68 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 3.04 0.00 -0.17 2.13 3.86 -1.86 -3.16 115.15 118.99 1iox h HIS 14 Ca 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 1iox h HIS 14 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1iox h HIS 14 CO 1.48 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.75 1iox n TYR 15 N -2.42 0.22 -3.18 2.45 0.18 -1.26 -4.73 117.16 108.42 1iox n TYR 15 Ca 0.03 -0.11 0.02 0.00 1.88 0.00 0.00 57.90 59.72 1iox n TYR 15 Cb 0.48 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.42 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 5.42 0.00 -2.43 0.00 2.08 -0.92 -3.96 119.36 119.54 1iox n ILE 17 Ca -0.01 1.28 -0.37 0.00 0.56 0.00 0.00 62.75 64.22 1iox n ILE 17 Cb 0.51 -2.28 0.01 0.00 -0.75 0.00 0.00 39.64 37.13 1iox n ILE 17 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1iox n LYS 18 N -2.00 3.97 -3.83 0.38 2.85 -0.61 -4.97 118.16 113.96 1iox n LYS 18 Ca 0.00 -4.31 -0.12 0.00 -1.05 0.00 0.00 58.31 52.84 1iox n LYS 18 Cb 0.00 -2.34 -0.09 0.00 -0.65 0.00 0.00 35.03 31.95 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 -1.88 -0.03 0.68 2.58 0.00 -1.25 -2.24 107.32 105.18 1iox s GLY 19 Ca 0.46 0.01 0.04 0.00 0.00 0.00 0.00 44.72 45.23 1iox s GLY 19 CO -0.23 -0.16 0.93 0.50 0.00 0.00 0.00 173.10 174.14 1iox s ARG 20 N -1.57 1.85 -0.21 2.90 1.81 0.18 -4.83 118.95 119.08 1iox s ARG 20 Ca -0.13 -1.42 -0.14 0.00 -1.72 0.00 0.00 55.73 52.32 1iox s ARG 20 Cb -0.06 -2.46 0.06 0.00 -0.45 0.00 0.00 34.95 32.05 1iox s ARG 20 CO 0.02 -1.28 0.52 0.00 -0.68 0.00 0.00 175.30 173.87 1iox s ARG 22 N 1.14 2.80 -0.42 0.00 3.00 0.21 -1.74 118.95 123.94 1iox s ARG 22 Ca -0.07 -1.06 -0.19 0.00 -1.00 0.00 0.00 55.73 53.41 1iox s ARG 22 Cb -0.06 -3.51 0.02 0.00 0.00 0.00 0.00 34.95 31.40 1iox s ARG 22 CO -0.11 -0.61 0.55 0.12 0.00 0.00 0.00 175.30 175.25 1iox s PHE 23 N 1.47 3.12 -0.42 5.12 2.19 -0.60 -1.41 117.98 127.44 1iox s PHE 23 Ca 0.00 -0.15 -0.26 0.00 0.33 0.00 0.00 56.93 56.86 1iox s PHE 23 Cb -0.19 -3.13 0.02 0.00 -1.31 0.00 0.00 43.02 38.42 1iox s PHE 23 CO 0.04 -0.77 0.94 0.08 1.83 0.00 0.00 175.22 177.33 1iox s VAL 24 N 2.51 4.51 -0.05 3.12 1.01 -0.94 -2.91 120.40 127.65 1iox s VAL 24 Ca 0.18 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 1iox s VAL 24 Cb -0.15 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.76 1iox s VAL 24 CO 0.16 -0.72 0.47 0.58 0.00 0.00 0.00 175.10 175.60 1iox h VAL 25 N 5.98 0.03 -0.87 2.92 2.07 -1.93 -2.60 116.25 121.84 1iox h VAL 25 Ca -0.24 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 66.65 1iox h VAL 25 Cb 1.08 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 1iox h VAL 25 CO 1.01 0.01 -0.57 0.00 0.02 0.00 0.00 177.57 178.04 1iox h ALA 26 N -1.08 -0.55 -2.81 1.67 0.00 -1.96 -3.04 119.26 111.49 1iox h ALA 26 Ca -0.04 0.11 -0.76 0.00 0.00 0.00 0.00 54.91 54.22 1iox h ALA 26 Cb 0.32 1.29 -0.29 0.00 0.00 0.00 0.00 17.79 19.11 1iox h ALA 26 CO 0.07 -0.96 -0.11 -1.21 0.00 0.00 0.00 179.25 177.03 1iox s GLU 27 N -5.57 3.14 -0.68 0.00 2.02 -1.25 -4.98 118.70 111.38 1iox s GLU 27 Ca -0.13 -2.32 -0.08 0.00 0.02 0.00 0.00 54.97 52.47 1iox s GLU 27 Cb 0.11 -4.18 -0.22 0.00 0.10 0.00 0.00 34.13 29.94 1iox s GLU 27 CO 0.63 -1.25 1.51 0.94 0.02 0.00 0.00 175.26 177.10 1iox n GLN 28 N 4.10 0.00 -3.30 1.61 7.27 -1.15 -4.59 117.38 121.31 1iox n GLN 28 Ca 0.07 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.99 1iox n GLN 28 Cb 0.43 -0.72 -0.07 0.00 2.41 0.00 0.00 30.24 32.29 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 0.76 -0.39 -0.93 1.69 2.01 -0.98 -5.00 115.64 112.80 1iox s THR 29 Ca 0.90 -1.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.61 1iox s THR 29 Cb -0.61 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.31 1iox s THR 29 CO 0.38 -0.54 1.60 -2.16 -0.69 0.00 0.00 174.62 173.21 1iox s PRO 30 N 1.29 3.18 0.22 4.92 0.04 -1.26 -2.20 135.00 141.19 1iox s PRO 30 Ca 0.19 -0.67 -0.11 0.00 0.04 0.00 0.00 61.00 60.45 1iox s PRO 30 Cb -0.12 -5.08 -0.07 0.00 0.04 0.00 0.00 34.50 29.27 1iox s PRO 30 CO -0.04 -2.58 0.57 -1.54 0.04 0.00 0.00 177.00 173.45 1iox s SER 31 N 5.93 6.69 -0.12 6.66 1.04 -0.50 -4.96 113.70 128.45 1iox s SER 31 Ca 0.53 1.00 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 1iox s SER 31 Cb -0.04 -2.26 0.04 0.00 0.10 0.00 0.00 66.02 63.86 1iox s SER 31 CO -0.03 -0.05 0.01 0.00 0.98 0.00 0.00 173.24 174.16 1iox s VAL 33 N 1.93 3.99 0.27 0.00 1.01 0.11 -4.95 120.40 122.76 1iox s VAL 33 Ca 0.03 -1.46 0.10 0.00 0.00 0.00 0.00 61.98 60.65 1iox s VAL 33 Cb -0.14 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1iox s VAL 33 CO -0.06 -0.23 -0.15 0.00 0.00 0.00 0.00 175.10 174.66 1iox n ASP 35 N -0.58 2.33 -0.32 0.00 8.00 -0.95 -4.79 116.55 120.24 1iox n ASP 35 Ca -0.06 1.08 0.17 0.00 0.71 0.00 0.00 54.79 56.69 1iox n ASP 35 Cb 0.61 -1.21 0.36 0.00 -0.02 0.00 0.00 41.12 40.86 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 6.44 0.39 -1.66 -1.24 4.81 -1.97 0.28 114.58 121.62 1iox h GLU 36 Ca -0.47 -0.02 -0.39 0.00 -0.13 0.00 0.00 59.36 58.35 1iox h GLU 36 Cb 1.31 -0.09 -0.15 0.00 0.63 0.00 0.00 28.75 30.45 1iox h GLU 36 CO 0.89 0.26 0.41 0.41 -0.73 0.00 0.00 179.01 180.25 1iox n GLY 37 N -1.32 4.23 3.65 1.92 0.00 -1.26 -4.91 105.19 107.50 1iox n GLY 37 Ca 0.25 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.81 2.55 0.07 1.61 1.13 0.97 -2.17 117.35 119.69 1iox s TYR 38 Ca 0.42 -0.57 -0.14 0.00 -1.41 0.00 0.00 57.07 55.37 1iox s TYR 38 Cb 0.30 -1.73 0.02 0.00 -1.10 0.00 0.00 41.96 39.45 1iox s TYR 38 CO -0.07 0.38 0.31 0.42 -2.51 0.00 0.00 175.55 174.08 1iox s ILE 39 N -2.62 0.09 0.00 -3.49 1.01 -0.68 -4.55 121.20 110.96 1iox s ILE 39 Ca 0.37 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1iox s ILE 39 Cb 0.05 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1iox s ILE 39 CO 0.20 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.34 1iox n GLY 40 N 0.28 2.62 0.08 6.18 0.00 -1.26 -0.70 105.19 112.39 1iox n GLY 40 Ca -0.17 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 43.83 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 0.51 -0.44 4.61 0.00 -2.01 -3.29 119.26 118.65 1iox h ALA 41 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1iox h ALA 41 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1iox h ALA 41 CO 0.00 1.18 0.00 0.54 0.00 0.00 0.00 179.25 180.97 1iox n ARG 42 N -3.23 3.64 -3.02 0.00 3.00 -1.26 -4.93 116.66 110.86 1iox n ARG 42 Ca -0.04 -2.85 -0.21 0.00 -0.01 0.00 0.00 57.85 54.75 1iox n ARG 42 Cb 0.92 -1.90 0.04 0.00 0.00 0.00 0.00 32.46 31.51 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iox n GLU 44 N -3.87 0.49 -3.04 0.00 0.28 -1.24 -1.57 120.64 111.68 1iox n GLU 44 Ca -0.09 -0.14 -0.17 0.00 -0.16 0.00 0.00 57.16 56.60 1iox n GLU 44 Cb 0.61 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.98 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1iox s ARG 45 N -3.34 2.80 0.04 3.44 0.52 0.13 -5.00 118.95 117.54 1iox s ARG 45 Ca -0.03 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 1iox s ARG 45 Cb 0.14 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 1iox s ARG 45 CO 0.89 -0.28 -0.04 0.54 0.02 0.00 0.00 175.30 176.43 1iox s VAL 46 N -2.36 0.27 0.00 3.52 0.11 -1.26 -1.69 120.40 118.99 1iox s VAL 46 Ca 0.55 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1iox s VAL 46 Cb -0.10 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1iox s VAL 46 CO 0.33 -0.72 0.00 -0.67 -3.33 0.00 0.00 175.10 170.71 1iox n ASP 47 N 0.82 0.00 0.00 3.54 -0.08 -0.92 -4.66 116.55 115.25 1iox n ASP 47 Ca -0.19 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1iox n ASP 47 Cb 0.58 -0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.85 1iox n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iox n LEU 48 N -1.57 0.00 0.00 -2.67 -0.00 -1.26 -5.01 117.00 106.50 1iox n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1iox n LEU 48 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1iox n LEU 48 CO 0.00 0.00 0.41 0.49 -0.00 0.00 0.00 177.39 178.29 1iox n PHE 49 N -0.79 0.00 0.00 1.47 3.72 -1.26 -5.15 117.46 115.45 1iox n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1iox n PHE 49 Cb 0.00 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 1iox n PHE 49 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69