#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 -4.91 118.16 120.40 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 3.30 3.02 2.58 0.00 -1.26 -5.06 105.19 107.77 1iox n GLY 3 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -3.17 -0.22 1.61 -0.00 -1.26 -5.04 115.22 107.14 1iox n HIS 4 Ca 0.00 1.25 0.00 0.00 -0.00 0.00 0.00 57.72 58.97 1iox n HIS 4 Cb 0.00 -3.93 0.00 0.00 -0.00 0.00 0.00 29.99 26.06 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 -1.04 0.00 -3.86 4.41 3.72 -1.26 -4.98 117.46 114.45 1iox n PHE 5 Ca 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.33 1iox n PHE 5 Cb 0.50 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.95 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 -1.00 0.03 -0.13 4.37 0.15 -1.19 -5.00 113.70 110.92 1iox s SER 6 Ca 0.00 -0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.36 1iox s SER 6 Cb 0.00 0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1iox s SER 6 CO 0.00 -0.44 -0.02 -0.60 1.20 0.00 0.00 173.24 173.39 1iox s ARG 7 N -1.81 3.47 0.41 5.44 3.52 -1.26 -1.50 118.95 127.22 1iox s ARG 7 Ca -0.11 -0.47 -0.26 0.00 -0.13 0.00 0.00 55.73 54.76 1iox s ARG 7 Cb -0.05 -2.90 -0.09 0.00 -1.56 0.00 0.00 34.95 30.35 1iox s ARG 7 CO -0.00 0.40 1.30 0.00 -0.81 0.00 0.00 175.30 176.19 1iox s PRO 9 N -2.28 1.40 0.40 0.00 0.04 -1.26 -4.71 135.00 128.58 1iox s PRO 9 Ca 0.57 0.52 0.10 0.00 0.04 0.00 0.00 61.00 62.24 1iox s PRO 9 Cb -0.38 -1.85 0.82 0.00 0.04 0.00 0.00 34.50 33.13 1iox s PRO 9 CO 0.48 -2.07 1.93 -0.22 0.04 0.00 0.00 177.00 177.17 1iox h LYS 10 N -1.41 0.21 0.00 4.56 3.64 -1.97 -1.71 116.57 119.89 1iox h LYS 10 Ca -0.50 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1iox h LYS 10 Cb 1.30 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1iox h LYS 10 CO 0.59 0.35 -0.07 0.37 -2.27 0.00 0.00 179.45 178.42 1iox h GLN 11 N 0.20 0.00 -0.40 1.90 4.15 -2.03 -2.14 115.11 116.80 1iox h GLN 11 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1iox h GLN 11 Cb 0.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1iox h GLN 11 CO 0.02 0.07 0.00 0.66 -1.93 0.00 0.00 178.83 177.65 1iox n TYR 12 N -3.29 0.52 -1.62 3.99 4.01 -0.68 -4.61 117.16 115.48 1iox n TYR 12 Ca -0.01 -0.33 -0.30 0.00 -0.16 0.00 0.00 57.90 57.10 1iox n TYR 12 Cb 0.26 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.16 3.01 0.07 -0.72 3.00 -0.80 -4.43 118.16 119.45 1iox n LYS 13 Ca 0.17 -2.62 0.12 0.00 -0.00 0.00 0.00 58.31 55.98 1iox n LYS 13 Cb 0.52 -2.28 0.23 0.00 0.00 0.00 0.00 35.03 33.51 1iox n LYS 13 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1iox n HIS 14 N 1.17 0.66 1.37 5.64 8.25 -1.26 -3.17 115.22 127.88 1iox n HIS 14 Ca 0.53 0.19 0.13 0.00 -0.26 0.00 0.00 57.72 58.31 1iox n HIS 14 Cb 0.48 -0.73 0.45 0.00 1.12 0.00 0.00 29.99 31.30 1iox n HIS 14 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1iox n TYR 15 N -2.15 0.00 -3.15 4.41 0.18 -1.26 -4.72 117.16 110.47 1iox n TYR 15 Ca 0.04 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.86 1iox n TYR 15 Cb 0.44 -0.05 -0.00 0.00 -0.38 0.00 0.00 39.34 39.34 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 -2.46 0.00 5.41 -0.84 -3.51 119.36 123.37 1iox n ILE 17 Ca 0.03 1.10 -0.42 0.00 1.00 0.00 0.00 62.75 64.45 1iox n ILE 17 Cb 0.53 -1.98 0.01 0.00 -0.71 0.00 0.00 39.64 37.49 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 -0.92 4.28 -3.63 0.38 2.85 -0.75 -4.91 118.16 115.45 1iox n LYS 18 Ca 0.00 -3.91 -0.16 0.00 -1.05 0.00 0.00 58.31 53.20 1iox n LYS 18 Cb 0.00 -2.70 -0.07 0.00 -0.65 0.00 0.00 35.03 31.61 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 -0.20 -0.42 -0.12 2.58 0.00 -1.23 -2.19 107.32 105.73 1iox s GLY 19 Ca 0.40 1.11 -0.04 0.00 0.00 0.00 0.00 44.72 46.19 1iox s GLY 19 CO -0.01 0.83 0.03 0.50 0.00 0.00 0.00 173.10 174.45 1iox s ARG 20 N -0.85 3.39 -0.14 2.90 0.52 0.14 -4.85 118.95 120.07 1iox s ARG 20 Ca -0.09 -0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 1iox s ARG 20 Cb -0.03 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 1iox s ARG 20 CO 0.06 0.53 -0.03 0.00 0.02 0.00 0.00 175.30 175.89 1iox s ARG 22 N 0.01 3.03 -0.39 0.00 0.52 0.83 -1.91 118.95 121.05 1iox s ARG 22 Ca 0.01 -1.16 -0.16 0.00 -0.52 0.00 0.00 55.73 53.90 1iox s ARG 22 Cb -0.13 -4.11 0.01 0.00 0.52 0.00 0.00 34.95 31.23 1iox s ARG 22 CO 0.02 -1.09 0.40 0.12 0.02 0.00 0.00 175.30 174.77 1iox s PHE 23 N 2.01 3.19 -0.30 -0.53 2.19 -0.56 -1.56 117.98 122.42 1iox s PHE 23 Ca 0.08 -0.25 -0.24 0.00 0.33 0.00 0.00 56.93 56.85 1iox s PHE 23 Cb -0.22 -2.78 0.00 0.00 -1.31 0.00 0.00 43.02 38.71 1iox s PHE 23 CO 0.09 -0.58 0.83 0.08 1.83 0.00 0.00 175.22 177.47 1iox s VAL 24 N 2.05 4.76 -0.05 3.12 1.01 -0.95 -3.19 120.40 127.15 1iox s VAL 24 Ca 0.11 1.31 -0.03 0.00 0.00 0.00 0.00 61.98 63.37 1iox s VAL 24 Cb -0.17 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1iox s VAL 24 CO 0.13 -0.26 0.14 0.58 0.00 0.00 0.00 175.10 175.69 1iox h VAL 25 N 5.59 0.00 -0.84 2.92 2.07 -1.94 -2.62 116.25 121.43 1iox h VAL 25 Ca -0.24 -0.58 0.12 0.00 0.82 0.00 0.00 66.70 66.83 1iox h VAL 25 Cb 1.09 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.73 1iox h VAL 25 CO 0.90 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 178.05 1iox h ALA 26 N -1.38 -0.15 -2.87 1.67 0.00 -1.95 -2.99 119.26 111.59 1iox h ALA 26 Ca -0.01 0.19 -0.76 0.00 0.00 0.00 0.00 54.91 54.33 1iox h ALA 26 Cb 0.07 1.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.64 1iox h ALA 26 CO 0.02 -0.76 -0.08 -2.00 0.00 0.00 0.00 179.25 176.42 1iox s GLU 27 N -5.82 3.21 -0.75 0.00 2.56 -1.26 -4.98 118.70 111.67 1iox s GLU 27 Ca -0.14 -2.40 -0.09 0.00 0.00 0.00 0.00 54.97 52.34 1iox s GLU 27 Cb 0.16 -4.20 -0.24 0.00 2.00 0.00 0.00 34.13 31.85 1iox s GLU 27 CO 0.68 -1.25 1.67 0.94 -0.56 0.00 0.00 175.26 176.73 1iox n GLN 28 N 3.96 0.00 -3.19 4.30 -0.06 -1.13 -4.54 117.38 116.71 1iox n GLN 28 Ca 0.09 0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.92 1iox n GLN 28 Cb 0.44 -0.81 -0.06 0.00 -4.06 0.00 0.00 30.24 25.75 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1iox s THR 29 N 1.04 -0.25 -0.89 1.69 2.01 -0.99 -4.99 115.64 113.26 1iox s THR 29 Ca 0.99 -1.70 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 1iox s THR 29 Cb -0.68 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.13 1iox s THR 29 CO 0.42 -0.69 1.58 -2.16 -0.69 0.00 0.00 174.62 173.08 1iox s PRO 30 N 0.67 3.16 -0.09 4.92 0.04 -1.26 -2.23 135.00 140.20 1iox s PRO 30 Ca 0.28 -0.55 -0.05 0.00 0.04 0.00 0.00 61.00 60.71 1iox s PRO 30 Cb -0.03 -4.94 -0.04 0.00 0.04 0.00 0.00 34.50 29.53 1iox s PRO 30 CO -0.11 -2.53 0.12 0.45 0.04 0.00 0.00 177.00 174.97 1iox s SER 31 N 5.80 6.18 -0.11 6.66 0.15 -0.60 -4.97 113.70 126.79 1iox s SER 31 Ca 0.52 0.39 -0.01 0.00 0.70 0.00 0.00 55.95 57.54 1iox s SER 31 Cb -0.05 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 1iox s SER 31 CO 0.01 0.38 -0.07 0.00 1.20 0.00 0.00 173.24 174.75 1iox s VAL 33 N -0.12 0.75 0.47 0.00 1.01 -0.15 -4.92 120.40 117.45 1iox s VAL 33 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1iox s VAL 33 Cb -0.13 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1iox s VAL 33 CO 0.03 0.32 0.77 0.00 0.00 0.00 0.00 175.10 176.22 1iox n ASP 35 N -2.22 2.33 -0.30 0.00 9.92 -0.93 -4.76 116.55 120.59 1iox n ASP 35 Ca 0.00 1.08 0.13 0.00 -0.53 0.00 0.00 54.79 55.48 1iox n ASP 35 Cb 0.55 -1.13 0.29 0.00 -0.64 0.00 0.00 41.12 40.19 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 7.12 0.17 -1.85 -1.24 5.08 -1.92 0.25 114.58 122.18 1iox h GLU 36 Ca -0.46 -0.01 -0.43 0.00 -1.00 0.00 0.00 59.36 57.45 1iox h GLU 36 Cb 1.32 -0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.37 1iox h GLU 36 CO 0.96 0.11 0.36 0.41 -1.00 0.00 0.00 179.01 179.85 1iox n GLY 37 N -1.39 4.22 3.60 -3.84 0.00 -1.26 -4.91 105.19 101.61 1iox n GLY 37 Ca 0.22 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.62 2.33 -0.05 1.61 1.13 0.86 -2.07 117.35 119.55 1iox s TYR 38 Ca 0.51 -0.77 -0.14 0.00 -1.41 0.00 0.00 57.07 55.27 1iox s TYR 38 Cb 0.34 -1.66 0.03 0.00 -1.10 0.00 0.00 41.96 39.57 1iox s TYR 38 CO -0.15 0.33 0.32 0.42 -2.51 0.00 0.00 175.55 173.96 1iox s ILE 39 N -2.85 0.04 0.00 -3.49 1.01 -0.67 -4.78 121.20 110.46 1iox s ILE 39 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1iox s ILE 39 Cb 0.09 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1iox s ILE 39 CO 0.16 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1iox n GLY 40 N 1.76 2.53 0.14 6.18 0.00 -1.26 -1.31 105.19 113.24 1iox n GLY 40 Ca -0.19 -2.13 -0.22 0.00 0.00 0.00 0.00 46.02 43.48 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 0.28 -0.49 4.61 0.00 -2.00 -3.34 119.26 118.32 1iox h ALA 41 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1iox h ALA 41 Cb 0.00 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1iox h ALA 41 CO 0.00 1.12 0.00 0.54 0.00 0.00 0.00 179.25 180.91 1iox n ARG 42 N -3.61 2.16 -2.75 0.00 1.74 -1.26 -4.93 116.66 108.01 1iox n ARG 42 Ca -0.28 -1.80 -0.10 0.00 -0.77 0.00 0.00 57.85 54.90 1iox n ARG 42 Cb 1.03 -1.39 0.05 0.00 -1.02 0.00 0.00 32.46 31.13 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 -2.78 1.73 -3.29 0.00 0.28 -1.24 -1.80 120.64 113.53 1iox n GLU 44 Ca -0.09 -0.03 -0.31 0.00 -0.16 0.00 0.00 57.16 56.56 1iox n GLU 44 Cb 0.59 -1.18 -0.05 0.00 1.43 0.00 0.00 31.44 32.23 1iox n GLU 44 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1iox s ARG 45 N -2.32 3.81 -0.01 3.44 3.00 -0.42 -4.99 118.95 121.46 1iox s ARG 45 Ca -0.03 0.33 0.05 0.00 -1.00 0.00 0.00 55.73 55.08 1iox s ARG 45 Cb 0.03 -2.58 -0.01 0.00 0.00 0.00 0.00 34.95 32.39 1iox s ARG 45 CO 0.30 0.23 -0.17 0.54 0.00 0.00 0.00 175.30 176.20 1iox s VAL 46 N -1.95 1.32 -0.40 7.11 0.11 -1.26 -1.67 120.40 123.66 1iox s VAL 46 Ca 0.49 -0.74 0.09 0.00 -2.93 0.00 0.00 61.98 58.88 1iox s VAL 46 Cb -0.11 -1.11 0.29 0.00 -1.53 0.00 0.00 36.38 33.92 1iox s VAL 46 CO 0.23 0.35 0.69 -0.67 -3.33 0.00 0.00 175.10 172.37 1iox n ASP 47 N 2.61 -0.26 -0.01 3.54 2.03 -0.88 -4.88 116.55 118.70 1iox n ASP 47 Ca -0.15 -2.97 0.01 0.00 0.52 0.00 0.00 54.79 52.20 1iox n ASP 47 Cb 0.54 -0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.86 1iox n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iox n LEU 48 N 0.98 0.21 0.00 -2.67 -0.00 -1.25 -4.72 117.00 109.55 1iox n LEU 48 Ca 0.19 -0.54 0.00 0.00 -0.00 0.00 0.00 56.01 55.66 1iox n LEU 48 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1iox n LEU 48 CO 0.16 0.05 0.32 0.49 -0.00 0.00 0.00 177.39 178.40 1iox n PHE 49 N -0.96 0.00 1.67 1.47 3.01 -1.26 -5.16 117.46 116.23 1iox n PHE 49 Ca 0.01 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 1iox n PHE 49 Cb 0.04 -0.26 0.67 0.00 -0.01 0.00 0.00 39.48 39.92 1iox n PHE 49 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43