#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 0.00 5.56 2.85 -1.26 -5.13 118.16 120.18 1iox n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1iox n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1iox n GLY 3 N 0.00 -0.32 2.26 2.58 0.00 -1.26 -5.11 105.19 103.34 1iox n GLY 3 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -3.05 -0.58 1.61 -0.00 -1.26 -5.07 115.22 106.87 1iox n HIS 4 Ca 0.00 1.71 0.00 0.00 -0.00 0.00 0.00 57.72 59.43 1iox n HIS 4 Cb 0.00 -3.19 0.00 0.00 -0.00 0.00 0.00 29.99 26.80 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1iox n PHE 5 N 1.06 0.00 -4.04 1.57 3.72 -1.26 -5.09 117.46 113.42 1iox n PHE 5 Ca -0.25 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.03 1iox n PHE 5 Cb 0.38 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.80 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 0.55 0.38 4.37 0.01 -1.26 -5.05 113.70 111.70 1iox s SER 6 Ca 0.00 -0.38 -0.16 0.00 1.31 0.00 0.00 55.95 56.71 1iox s SER 6 Cb 0.00 0.03 -0.09 0.00 0.21 0.00 0.00 66.02 66.17 1iox s SER 6 CO 0.00 -0.15 0.82 -0.13 0.41 0.00 0.00 173.24 174.19 1iox s ARG 7 N -1.08 4.05 -0.03 12.44 3.00 -1.26 -2.01 118.95 134.06 1iox s ARG 7 Ca -0.08 0.81 -0.26 0.00 0.00 0.00 0.00 55.73 56.20 1iox s ARG 7 Cb -0.07 -2.33 -0.03 0.00 0.00 0.00 0.00 34.95 32.52 1iox s ARG 7 CO -0.00 0.05 0.82 0.00 0.00 0.00 0.00 175.30 176.17 1iox s PRO 9 N 0.87 0.48 0.53 0.00 0.04 -1.26 -4.75 135.00 130.92 1iox s PRO 9 Ca 0.44 0.18 0.27 0.00 0.04 0.00 0.00 61.00 61.93 1iox s PRO 9 Cb -0.19 -1.77 1.50 0.00 0.04 0.00 0.00 34.50 34.08 1iox s PRO 9 CO 0.23 -2.62 2.11 1.57 0.04 0.00 0.00 177.00 178.32 1iox h LYS 10 N -1.80 0.00 0.00 4.56 2.10 -1.96 -1.71 116.57 117.76 1iox h LYS 10 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1iox h LYS 10 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1iox h LYS 10 CO 0.53 0.10 0.00 0.94 -2.00 0.00 0.00 179.45 179.02 1iox n GLN 11 N -3.72 0.01 0.00 0.07 7.27 -1.26 -2.03 117.38 117.71 1iox n GLN 11 Ca -0.02 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.49 1iox n GLN 11 Cb 0.20 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.33 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1iox n TYR 12 N -1.54 0.00 -0.95 3.69 4.01 -0.67 -4.83 117.16 116.86 1iox n TYR 12 Ca 0.01 -0.09 -0.14 0.00 -0.16 0.00 0.00 57.90 57.52 1iox n TYR 12 Cb 0.04 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.09 1.79 0.09 -0.72 5.02 -0.86 -4.26 118.16 119.12 1iox n LYS 13 Ca 0.00 -1.25 0.02 0.00 -2.02 0.00 0.00 58.31 55.06 1iox n LYS 13 Cb 0.26 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 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 2.02 0.00 0.00 2.13 3.86 -1.88 -3.16 115.15 118.11 1iox h HIS 14 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1iox h HIS 14 Cb 1.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1iox h HIS 14 CO 1.02 0.52 0.00 2.48 0.86 0.00 0.00 177.93 182.81 1iox n TYR 15 N -3.04 0.00 -3.63 2.45 0.18 -1.26 -4.79 117.16 107.07 1iox n TYR 15 Ca -0.04 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.62 1iox n TYR 15 Cb 0.78 -0.30 -0.07 0.00 -0.38 0.00 0.00 39.34 39.37 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 2.97 0.00 -2.11 0.00 5.41 -0.89 -4.62 119.36 120.12 1iox n ILE 17 Ca -0.15 0.38 -0.41 0.00 1.00 0.00 0.00 62.75 63.57 1iox n ILE 17 Cb 0.56 -1.32 -0.00 0.00 -0.71 0.00 0.00 39.64 38.16 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 -2.11 4.21 -3.63 0.38 2.85 -0.94 -4.87 118.16 114.05 1iox n LYS 18 Ca 0.00 -3.47 -0.14 0.00 -1.05 0.00 0.00 58.31 53.66 1iox n LYS 18 Cb 0.00 -2.74 -0.07 0.00 -0.65 0.00 0.00 35.03 31.57 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 0.57 -0.53 -0.23 2.58 0.00 -1.26 -2.21 107.32 106.23 1iox s GLY 19 Ca 0.49 2.06 -0.10 0.00 0.00 0.00 0.00 44.72 47.16 1iox s GLY 19 CO -0.05 1.77 0.15 0.50 0.00 0.00 0.00 173.10 175.46 1iox s ARG 20 N 0.41 4.06 -0.15 2.90 3.00 0.61 -4.87 118.95 124.91 1iox s ARG 20 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 55.73 55.43 1iox s ARG 20 Cb -0.05 -3.51 -0.02 0.00 0.00 0.00 0.00 34.95 31.37 1iox s ARG 20 CO 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 175.30 175.31 1iox s ARG 22 N 0.44 4.34 -0.36 0.00 3.52 0.99 -1.36 118.95 126.52 1iox s ARG 22 Ca -0.06 0.52 -0.10 0.00 -0.13 0.00 0.00 55.73 55.96 1iox s ARG 22 Cb -0.15 -3.46 0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1iox s ARG 22 CO 0.04 0.10 0.18 0.12 -0.81 0.00 0.00 175.30 174.92 1iox s PHE 23 N 0.80 3.24 -0.36 5.12 2.19 -0.85 -1.05 117.98 127.07 1iox s PHE 23 Ca 0.28 -1.05 -0.29 0.00 0.33 0.00 0.00 56.93 56.20 1iox s PHE 23 Cb -0.16 -2.40 0.02 0.00 -1.31 0.00 0.00 43.02 39.18 1iox s PHE 23 CO 0.11 -0.66 1.08 0.08 1.83 0.00 0.00 175.22 177.67 1iox s VAL 24 N 1.52 4.44 -0.04 3.12 1.01 -0.94 -4.08 120.40 125.44 1iox s VAL 24 Ca 0.01 1.57 -0.03 0.00 0.00 0.00 0.00 61.98 63.54 1iox s VAL 24 Cb -0.19 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 1iox s VAL 24 CO 0.06 -0.61 0.19 0.58 0.00 0.00 0.00 175.10 175.31 1iox h VAL 25 N 5.86 0.00 -0.93 2.92 2.07 -1.96 -2.50 116.25 121.71 1iox h VAL 25 Ca -0.21 -0.40 0.21 0.00 0.82 0.00 0.00 66.70 67.13 1iox h VAL 25 Cb 1.06 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.66 1iox h VAL 25 CO 1.05 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 178.53 1iox h ALA 26 N -1.56 0.83 -3.11 1.67 0.00 -2.01 -2.81 119.26 112.27 1iox h ALA 26 Ca -0.01 0.34 -0.69 0.00 0.00 0.00 0.00 54.91 54.55 1iox h ALA 26 Cb 0.07 0.63 -0.36 0.00 0.00 0.00 0.00 17.79 18.14 1iox h ALA 26 CO 0.02 -0.46 -0.33 -2.00 0.00 0.00 0.00 179.25 176.48 1iox s GLU 27 N -6.15 2.69 -0.69 0.00 2.56 -1.25 -5.01 118.70 110.85 1iox s GLU 27 Ca -0.14 -2.75 -0.09 0.00 0.00 0.00 0.00 54.97 51.99 1iox s GLU 27 Cb 0.26 -3.75 -0.22 0.00 2.00 0.00 0.00 34.13 32.43 1iox s GLU 27 CO 0.77 -1.20 1.56 0.00 -0.56 0.00 0.00 175.26 175.83 1iox n GLN 28 N 3.12 0.00 -3.30 4.30 0.00 -1.06 -4.51 117.38 115.92 1iox n GLN 28 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.96 1iox n GLN 28 Cb 0.37 -0.75 -0.07 0.00 0.00 0.00 0.00 30.24 29.79 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 1.03 -0.37 -0.94 -0.39 2.01 -0.95 -4.97 115.64 111.05 1iox s THR 29 Ca 0.92 -1.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.61 1iox s THR 29 Cb -0.64 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.28 1iox s THR 29 CO 0.39 -0.56 1.57 -2.16 -0.69 0.00 0.00 174.62 173.17 1iox s PRO 30 N 1.27 3.25 -0.20 4.92 0.04 -1.26 -2.21 135.00 140.81 1iox s PRO 30 Ca 0.19 -0.72 -0.17 0.00 0.04 0.00 0.00 61.00 60.34 1iox s PRO 30 Cb -0.12 -5.09 -0.04 0.00 0.04 0.00 0.00 34.50 29.30 1iox s PRO 30 CO -0.04 -2.50 0.44 -1.54 0.04 0.00 0.00 177.00 173.40 1iox s SER 31 N 5.69 6.49 -0.20 6.66 1.04 -0.22 -4.96 113.70 128.20 1iox s SER 31 Ca 0.51 0.58 -0.10 0.00 0.48 0.00 0.00 55.95 57.42 1iox s SER 31 Cb -0.03 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 1iox s SER 31 CO -0.03 -0.11 0.13 0.00 0.98 0.00 0.00 173.24 174.21 1iox s VAL 33 N 0.42 2.50 0.50 0.00 1.01 -0.18 -4.92 120.40 119.73 1iox s VAL 33 Ca 0.08 -1.58 -0.17 0.00 0.00 0.00 0.00 61.98 60.31 1iox s VAL 33 Cb -0.11 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 1iox s VAL 33 CO -0.01 -0.09 0.98 0.00 0.00 0.00 0.00 175.10 175.97 1iox n ASP 35 N -1.44 2.49 -0.32 0.00 9.92 -0.94 -4.79 116.55 121.47 1iox n ASP 35 Ca 0.07 0.92 0.11 0.00 -0.53 0.00 0.00 54.79 55.36 1iox n ASP 35 Cb 0.54 -1.20 0.24 0.00 -0.64 0.00 0.00 41.12 40.06 1iox n ASP 35 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1iox h GLU 36 N 8.64 0.04 -1.98 -1.24 5.08 -1.92 0.31 114.58 123.51 1iox h GLU 36 Ca -0.42 -0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.45 1iox h GLU 36 Cb 1.31 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.38 1iox h GLU 36 CO 0.98 0.03 0.36 0.41 -1.00 0.00 0.00 179.01 179.78 1iox n GLY 37 N -1.49 4.29 3.63 -3.84 0.00 -1.26 -4.91 105.19 101.61 1iox n GLY 37 Ca 0.20 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.61 2.21 -0.03 1.61 1.13 0.11 -2.18 117.35 118.59 1iox s TYR 38 Ca 0.58 -0.83 -0.06 0.00 -1.41 0.00 0.00 57.07 55.36 1iox s TYR 38 Cb 0.38 -1.62 0.01 0.00 -1.10 0.00 0.00 41.96 39.62 1iox s TYR 38 CO -0.21 0.28 0.13 0.42 -2.51 0.00 0.00 175.55 173.66 1iox s ILE 39 N -2.87 0.03 0.00 -3.49 1.01 -0.76 -4.58 121.20 110.54 1iox s ILE 39 Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1iox s ILE 39 Cb 0.07 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.25 1iox s ILE 39 CO 0.13 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1iox n GLY 40 N 2.41 2.38 0.11 6.18 0.00 -1.26 -1.39 105.19 113.63 1iox n GLY 40 Ca -0.16 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.50 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 0.25 -0.41 4.61 0.00 -2.00 -3.35 119.26 118.37 1iox h ALA 41 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1iox h ALA 41 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1iox h ALA 41 CO 0.00 0.80 0.00 0.54 0.00 0.00 0.00 179.25 180.59 1iox n ARG 42 N -4.13 2.24 -2.58 0.00 1.74 -1.26 -4.93 116.66 107.74 1iox n ARG 42 Ca -0.29 -1.59 -0.05 0.00 -0.77 0.00 0.00 57.85 55.15 1iox n ARG 42 Cb 0.80 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.81 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 -2.13 3.45 -4.53 0.00 1.02 -1.24 -2.22 120.64 114.98 1iox n GLU 44 Ca -0.03 -0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.80 1iox n GLU 44 Cb 0.54 -0.85 -0.07 0.00 -0.02 0.00 0.00 31.44 31.04 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 -1.74 2.17 0.08 3.49 0.52 -0.49 -5.02 118.95 117.96 1iox s ARG 45 Ca 0.00 -2.23 -0.02 0.00 -0.52 0.00 0.00 55.73 52.96 1iox s ARG 45 Cb 0.03 -1.69 -0.03 0.00 0.52 0.00 0.00 34.95 33.77 1iox s ARG 45 CO 0.16 -0.32 0.03 0.54 0.02 0.00 0.00 175.30 175.74 1iox s VAL 46 N -2.80 0.18 -0.56 3.52 0.11 -1.26 -1.83 120.40 117.75 1iox s VAL 46 Ca 0.19 -1.72 0.03 0.00 -2.93 0.00 0.00 61.98 57.55 1iox s VAL 46 Cb 0.03 -1.62 0.40 0.00 -1.53 0.00 0.00 36.38 33.66 1iox s VAL 46 CO 0.11 -0.80 1.44 -0.67 -3.33 0.00 0.00 175.10 171.84 1iox n ASP 47 N 0.03 5.72 -0.01 3.54 2.03 -0.93 -4.63 116.55 122.31 1iox n ASP 47 Ca -0.12 -3.76 -0.01 0.00 0.52 0.00 0.00 54.79 51.42 1iox n ASP 47 Cb 0.62 -0.66 -0.01 0.00 -0.72 0.00 0.00 41.12 40.35 1iox n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1iox n LEU 48 N -0.53 2.85 -0.07 -2.67 7.99 -1.26 -4.87 117.00 118.44 1iox n LEU 48 Ca 0.45 -0.01 -0.05 0.00 -0.01 0.00 0.00 56.01 56.39 1iox n LEU 48 Cb 0.55 -0.06 -0.02 0.00 -0.11 0.00 0.00 43.42 43.78 1iox n LEU 48 CO 0.41 0.51 -0.25 0.15 -1.51 0.00 0.00 177.39 176.70 1iox h PHE 49 N 0.00 0.00 -0.02 -1.77 3.57 -1.99 -3.56 116.94 113.18 1iox h PHE 49 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1iox h PHE 49 Cb 1.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1iox h PHE 49 CO 0.00 0.11 0.00 0.98 -2.23 0.00 0.00 178.31 177.17