#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 2.89 3.00 -1.26 -5.11 118.16 117.69 1iox n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1iox n LYS 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iox n GLY 3 N -1.40 1.91 2.68 3.14 0.00 -1.26 -4.97 105.19 105.29 1iox n GLY 3 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.14 -0.35 1.61 -0.00 -1.26 -5.06 115.22 108.03 1iox n HIS 4 Ca 0.00 0.80 0.00 0.00 0.46 0.00 0.00 57.72 58.98 1iox n HIS 4 Cb 0.00 -3.49 0.00 0.00 -0.12 0.00 0.00 29.99 26.38 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 -1.80 0.00 -3.89 1.57 3.72 -1.26 -5.06 117.46 110.74 1iox n PHE 5 Ca -0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1iox n PHE 5 Cb 0.52 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.93 1iox n PHE 5 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1iox s SER 6 N -0.69 0.04 0.01 4.37 0.15 -1.25 -5.07 113.70 111.25 1iox s SER 6 Ca 0.00 -0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.44 1iox s SER 6 Cb 0.00 0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1iox s SER 6 CO 0.00 -0.13 0.34 -0.13 1.20 0.00 0.00 173.24 174.52 1iox s ARG 7 N -0.53 3.74 0.27 5.44 1.81 -1.26 -2.14 118.95 126.28 1iox s ARG 7 Ca -0.06 0.18 -0.29 0.00 -1.72 0.00 0.00 55.73 53.84 1iox s ARG 7 Cb -0.04 -3.12 -0.10 0.00 -0.45 0.00 0.00 34.95 31.24 1iox s ARG 7 CO -0.00 0.66 1.32 0.00 -0.68 0.00 0.00 175.30 176.60 1iox s PRO 9 N -0.98 1.82 0.44 0.00 0.04 -1.26 -4.83 135.00 130.23 1iox s PRO 9 Ca 0.53 0.75 0.13 0.00 0.04 0.00 0.00 61.00 62.45 1iox s PRO 9 Cb -0.39 -1.88 0.99 0.00 0.04 0.00 0.00 34.50 33.26 1iox s PRO 9 CO 0.46 -1.84 2.01 0.87 0.04 0.00 0.00 177.00 178.55 1iox h LYS 10 N -1.25 0.12 0.00 4.56 1.57 -1.96 -1.24 116.57 118.37 1iox h LYS 10 Ca -0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1iox h LYS 10 Cb 1.27 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1iox h LYS 10 CO 0.57 0.21 0.00 -0.56 -0.57 0.00 0.00 179.45 179.10 1iox h GLN 11 N 0.12 0.00 -0.22 3.15 3.07 -2.03 -2.27 115.11 116.93 1iox h GLN 11 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1iox h GLN 11 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.78 1iox h GLN 11 CO 0.01 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.59 1iox n TYR 12 N -3.08 0.28 -1.48 0.06 4.01 -0.52 -4.65 117.16 111.79 1iox n TYR 12 Ca -0.01 -0.28 -0.26 0.00 -0.16 0.00 0.00 57.90 57.19 1iox n TYR 12 Cb 0.22 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.64 2.46 0.11 -0.72 3.00 -0.85 -4.38 118.16 118.42 1iox n LYS 13 Ca 0.10 -2.29 0.12 0.00 -0.00 0.00 0.00 58.31 56.24 1iox n LYS 13 Cb 0.38 -2.15 0.15 0.00 0.00 0.00 0.00 35.03 33.40 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1iox h HIS 14 N 3.07 0.00 -0.04 5.64 3.86 -1.82 -3.14 115.15 122.71 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 0.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1iox h HIS 14 CO 1.49 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.76 1iox n TYR 15 N -2.51 0.03 -3.16 2.45 0.18 -1.26 -4.69 117.16 108.20 1iox n TYR 15 Ca 0.03 -0.02 0.03 0.00 1.88 0.00 0.00 57.90 59.82 1iox n TYR 15 Cb 0.49 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.45 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 5.21 0.00 -1.58 0.00 5.41 -0.91 -3.71 119.36 123.78 1iox n ILE 17 Ca 0.06 1.02 -0.29 0.00 1.00 0.00 0.00 62.75 64.54 1iox n ILE 17 Cb 0.55 -1.91 -0.05 0.00 -0.71 0.00 0.00 39.64 37.51 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 -1.42 2.97 -3.95 0.38 2.85 -0.94 -4.88 118.16 113.17 1iox n LYS 18 Ca 0.00 -2.54 -0.10 0.00 -1.05 0.00 0.00 58.31 54.63 1iox n LYS 18 Cb 0.00 -2.27 -0.07 0.00 -0.65 0.00 0.00 35.03 32.04 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 0.51 0.46 -0.08 2.58 0.00 -1.24 -2.19 107.32 107.35 1iox s GLY 19 Ca 0.58 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 44.49 1iox s GLY 19 CO -0.17 -0.77 -0.20 0.50 0.00 0.00 0.00 173.10 172.46 1iox s ARG 20 N -3.97 2.51 -0.12 2.90 0.52 0.93 -4.88 118.95 116.83 1iox s ARG 20 Ca 0.18 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 1iox s ARG 20 Cb 0.02 -1.95 -0.00 0.00 0.52 0.00 0.00 34.95 33.54 1iox s ARG 20 CO 0.01 0.13 -0.20 0.00 0.02 0.00 0.00 175.30 175.26 1iox s ARG 22 N 0.53 3.82 -0.27 0.00 3.00 0.93 -1.94 118.95 125.02 1iox s ARG 22 Ca -0.13 0.29 0.01 0.00 -1.00 0.00 0.00 55.73 54.90 1iox s ARG 22 Cb -0.17 -3.22 0.05 0.00 0.00 0.00 0.00 34.95 31.61 1iox s ARG 22 CO 0.04 0.70 -0.07 0.12 0.00 0.00 0.00 175.30 176.09 1iox s PHE 23 N -1.01 3.23 -0.31 5.12 2.19 -0.91 -0.69 117.98 125.59 1iox s PHE 23 Ca 0.22 -2.06 -0.27 0.00 0.33 0.00 0.00 56.93 55.15 1iox s PHE 23 Cb -0.16 -2.01 0.01 0.00 -1.31 0.00 0.00 43.02 39.56 1iox s PHE 23 CO 0.11 -0.83 0.99 0.08 1.83 0.00 0.00 175.22 177.39 1iox s VAL 24 N 1.19 4.61 -0.05 3.12 1.01 -0.95 -3.96 120.40 125.36 1iox s VAL 24 Ca -0.06 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 63.49 1iox s VAL 24 Cb -0.19 -4.33 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 1iox s VAL 24 CO -0.04 -0.39 0.09 0.58 0.00 0.00 0.00 175.10 175.34 1iox h VAL 25 N 5.67 0.00 -0.89 2.92 2.07 -1.96 -2.61 116.25 121.45 1iox h VAL 25 Ca -0.21 -0.57 0.19 0.00 0.82 0.00 0.00 66.70 66.92 1iox h VAL 25 Cb 1.07 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.67 1iox h VAL 25 CO 0.98 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 178.38 1iox h ALA 26 N -1.40 0.64 -3.14 1.67 0.00 -1.99 -2.94 119.26 112.10 1iox h ALA 26 Ca -0.01 0.34 -0.70 0.00 0.00 0.00 0.00 54.91 54.54 1iox h ALA 26 Cb 0.04 0.66 -0.34 0.00 0.00 0.00 0.00 17.79 18.14 1iox h ALA 26 CO 0.01 -0.41 -0.32 -2.00 0.00 0.00 0.00 179.25 176.53 1iox s GLU 27 N -6.23 2.67 -0.77 0.00 2.12 -1.26 -5.00 118.70 110.24 1iox s GLU 27 Ca -0.15 -2.54 -0.09 0.00 0.36 0.00 0.00 54.97 52.55 1iox s GLU 27 Cb 0.25 -3.80 -0.25 0.00 0.26 0.00 0.00 34.13 30.59 1iox s GLU 27 CO 0.77 -1.19 1.71 0.94 -0.54 0.00 0.00 175.26 176.95 1iox n GLN 28 N 3.50 0.00 -3.29 4.30 7.27 -1.11 -4.52 117.38 123.53 1iox n GLN 28 Ca 0.09 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.99 1iox n GLN 28 Cb 0.39 -0.82 -0.07 0.00 2.41 0.00 0.00 30.24 32.15 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 0.82 -0.31 -0.90 1.69 2.01 -0.99 -4.98 115.64 112.99 1iox s THR 29 Ca 1.02 -1.28 -0.25 0.00 0.31 0.00 0.00 61.69 61.49 1iox s THR 29 Cb -0.69 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.17 1iox s THR 29 CO 0.43 -0.62 1.49 -2.16 -0.69 0.00 0.00 174.62 173.08 1iox s PRO 30 N 1.10 3.28 -0.21 4.92 0.04 -1.26 -2.24 135.00 140.63 1iox s PRO 30 Ca 0.22 -0.65 -0.17 0.00 0.04 0.00 0.00 61.00 60.43 1iox s PRO 30 Cb -0.10 -4.93 -0.04 0.00 0.04 0.00 0.00 34.50 29.48 1iox s PRO 30 CO -0.06 -2.38 0.45 -1.54 0.04 0.00 0.00 177.00 173.52 1iox s SER 31 N 5.23 6.48 -0.19 6.66 1.04 0.13 -4.97 113.70 128.08 1iox s SER 31 Ca 0.47 0.57 -0.06 0.00 0.48 0.00 0.00 55.95 57.41 1iox s SER 31 Cb -0.04 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 1iox s SER 31 CO 0.00 -0.13 0.03 0.00 0.98 0.00 0.00 173.24 174.12 1iox s VAL 33 N 0.61 1.80 0.21 0.00 1.01 -0.12 -4.94 120.40 118.97 1iox s VAL 33 Ca 0.01 -2.13 0.08 0.00 0.00 0.00 0.00 61.98 59.95 1iox s VAL 33 Cb -0.13 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1iox s VAL 33 CO 0.02 -0.50 -0.16 0.00 0.00 0.00 0.00 175.10 174.46 1iox n ASP 35 N -0.30 3.04 -0.33 0.00 -0.08 -0.93 -4.78 116.55 113.16 1iox n ASP 35 Ca -0.08 0.91 0.26 0.00 -1.51 0.00 0.00 54.79 54.36 1iox n ASP 35 Cb 0.60 -1.31 0.49 0.00 2.34 0.00 0.00 41.12 43.24 1iox n ASP 35 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1iox h GLU 36 N 9.27 0.15 -1.87 -0.67 4.39 -1.98 0.41 114.58 124.28 1iox h GLU 36 Ca -0.45 -0.01 -0.45 0.00 0.34 0.00 0.00 59.36 58.79 1iox h GLU 36 Cb 1.29 -0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.74 1iox h GLU 36 CO 0.96 0.10 0.37 0.41 -1.16 0.00 0.00 179.01 179.69 1iox n GLY 37 N -1.30 4.25 3.55 -3.84 0.00 -1.26 -4.90 105.19 101.68 1iox n GLY 37 Ca 0.33 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.65 2.08 -0.08 1.61 1.13 0.14 -1.52 117.35 119.07 1iox s TYR 38 Ca 0.53 -0.93 -0.08 0.00 -1.41 0.00 0.00 57.07 55.17 1iox s TYR 38 Cb 0.35 -1.45 0.02 0.00 -1.10 0.00 0.00 41.96 39.78 1iox s TYR 38 CO -0.16 0.11 0.23 0.42 -2.51 0.00 0.00 175.55 173.65 1iox s ILE 39 N -3.06 0.01 0.00 -3.49 1.01 -0.75 -4.62 121.20 110.29 1iox s ILE 39 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1iox s ILE 39 Cb 0.07 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.19 1iox s ILE 39 CO 0.14 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1iox n GLY 40 N 2.81 3.15 0.14 6.18 0.00 -1.26 -0.74 105.19 115.48 1iox n GLY 40 Ca -0.14 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.07 -0.48 4.61 0.00 -2.00 -3.29 119.26 118.04 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 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1iox h ALA 41 CO 0.00 0.76 0.00 0.54 0.00 0.00 0.00 179.25 180.55 1iox n ARG 42 N -3.73 2.14 -2.89 0.00 3.00 -1.26 -4.92 116.66 109.00 1iox n ARG 42 Ca -0.19 -1.76 -0.11 0.00 -0.01 0.00 0.00 57.85 55.78 1iox n ARG 42 Cb 1.07 -1.39 0.05 0.00 0.00 0.00 0.00 32.46 32.19 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 -2.86 0.69 -3.98 0.00 2.13 -1.25 -2.21 120.64 113.15 1iox n GLU 44 Ca -0.13 -0.13 -0.25 0.00 0.66 0.00 0.00 57.16 57.31 1iox n GLU 44 Cb 0.58 -1.39 -0.03 0.00 0.27 0.00 0.00 31.44 30.87 1iox n GLU 44 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1iox s ARG 45 N -3.09 3.33 0.10 5.31 6.06 0.09 -5.01 118.95 125.73 1iox s ARG 45 Ca -0.04 -0.70 0.08 0.00 -2.50 0.00 0.00 55.73 52.57 1iox s ARG 45 Cb 0.11 -2.88 -0.04 0.00 0.06 0.00 0.00 34.95 32.20 1iox s ARG 45 CO 0.71 0.49 -0.16 0.54 -2.50 0.00 0.00 175.30 174.39 1iox s VAL 46 N -1.81 2.99 -0.07 7.11 0.11 -1.26 -1.81 120.40 125.65 1iox s VAL 46 Ca 0.34 -1.38 -0.06 0.00 -2.93 0.00 0.00 61.98 57.95 1iox s VAL 46 Cb -0.10 -2.36 -0.02 0.00 -1.53 0.00 0.00 36.38 32.37 1iox s VAL 46 CO 0.28 0.14 -0.11 -0.67 -3.33 0.00 0.00 175.10 171.41 1iox n ASP 47 N 0.90 0.88 -4.88 3.54 2.03 -0.58 -4.64 116.55 113.81 1iox n ASP 47 Ca -0.15 0.35 -0.21 0.00 0.52 0.00 0.00 54.79 55.30 1iox n ASP 47 Cb 0.52 -0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 1iox n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1iox s LEU 48 N -6.31 3.34 -0.13 -2.67 1.43 -1.25 -5.04 118.68 108.05 1iox s LEU 48 Ca -0.09 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.12 1iox s LEU 48 Cb 0.01 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 1iox s LEU 48 CO 0.13 -0.69 0.08 -0.26 0.23 0.00 0.00 176.35 175.85 1iox h PHE 49 N 1.01 0.00 -0.01 0.29 0.04 -1.95 -3.51 116.94 112.81 1iox h PHE 49 Ca -0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1iox h PHE 49 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1iox h PHE 49 CO 0.54 0.34 0.00 0.98 -0.60 0.00 0.00 178.31 179.57