#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 -0.73 0.00 -0.14 4.81 -1.26 -4.91 118.16 115.93 1iox n LYS 2 Ca 0.00 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1iox n LYS 2 Cb 0.00 -3.13 0.00 0.00 0.02 0.00 0.00 35.03 31.92 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 -1.90 3.39 2.98 3.14 0.00 -1.26 -5.07 105.19 106.46 1iox n GLY 3 Ca -0.12 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.54 -0.49 1.61 -0.00 -1.26 -5.02 115.22 107.53 1iox n HIS 4 Ca 0.00 1.10 0.00 0.00 -0.00 0.00 0.00 57.72 58.82 1iox n HIS 4 Cb 0.00 -2.84 0.00 0.00 -0.00 0.00 0.00 29.99 27.15 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 0.64 0.00 -4.59 1.57 3.72 -1.26 -5.07 117.46 112.46 1iox n PHE 5 Ca 0.01 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.18 1iox n PHE 5 Cb 0.30 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.66 0.23 4.37 0.01 -1.24 -5.04 113.70 112.70 1iox s SER 6 Ca 0.00 -0.27 -0.14 0.00 1.31 0.00 0.00 55.95 56.85 1iox s SER 6 Cb 0.00 -0.49 -0.08 0.00 0.21 0.00 0.00 66.02 65.66 1iox s SER 6 CO 0.00 0.10 0.64 -0.60 0.41 0.00 0.00 173.24 173.78 1iox s ARG 7 N 0.20 4.00 0.24 12.44 6.06 -1.26 -1.57 118.95 139.05 1iox s ARG 7 Ca -0.05 0.57 -0.22 0.00 -2.50 0.00 0.00 55.73 53.53 1iox s ARG 7 Cb -0.11 -2.71 -0.09 0.00 0.06 0.00 0.00 34.95 32.11 1iox s ARG 7 CO 0.02 0.33 0.78 0.00 -2.50 0.00 0.00 175.30 173.93 1iox s PRO 9 N -1.90 1.81 0.42 0.00 0.04 -1.26 -4.75 135.00 129.37 1iox s PRO 9 Ca 0.44 0.70 0.11 0.00 0.04 0.00 0.00 61.00 62.29 1iox s PRO 9 Cb -0.18 -1.88 0.91 0.00 0.04 0.00 0.00 34.50 33.39 1iox s PRO 9 CO 0.22 -1.83 1.98 -0.22 0.04 0.00 0.00 177.00 177.20 1iox h LYS 10 N -1.24 0.19 0.00 4.56 3.64 -1.96 -1.21 116.57 120.55 1iox h LYS 10 Ca -0.48 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1iox h LYS 10 Cb 1.27 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1iox h LYS 10 CO 0.58 0.28 -0.04 1.96 -2.27 0.00 0.00 179.45 179.96 1iox h GLN 11 N 0.19 0.00 -0.11 1.90 7.50 -2.01 -1.71 115.11 120.86 1iox h GLN 11 Ca 0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.19 1iox h GLN 11 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.78 1iox h GLN 11 CO 0.01 0.04 0.00 0.66 -1.50 0.00 0.00 178.83 178.04 1iox n TYR 12 N -3.25 0.12 -1.54 2.96 4.01 -0.49 -4.59 117.16 114.37 1iox n TYR 12 Ca -0.01 -0.07 -0.30 0.00 -0.16 0.00 0.00 57.90 57.36 1iox n TYR 12 Cb 0.21 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.21 3.19 0.13 -0.72 5.02 -0.64 -4.40 118.16 121.94 1iox n LYS 13 Ca 0.13 -2.45 0.12 0.00 -2.02 0.00 0.00 58.31 54.09 1iox n LYS 13 Cb 0.53 -2.35 0.10 0.00 -0.02 0.00 0.00 35.03 33.29 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 3.75 0.00 -0.01 2.13 3.86 -1.81 -3.14 115.15 119.93 1iox h HIS 14 Ca 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 1iox h HIS 14 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1iox h HIS 14 CO 1.62 0.00 -0.15 2.48 0.86 0.00 0.00 177.93 182.74 1iox n TYR 15 N -2.69 0.00 -3.17 2.45 0.18 -1.26 -4.75 117.16 107.91 1iox n TYR 15 Ca 0.02 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.82 1iox n TYR 15 Cb 0.52 -0.06 -0.02 0.00 -0.38 0.00 0.00 39.34 39.40 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 6.02 0.77 -1.97 0.00 1.08 -1.46 -3.34 117.51 118.62 1iox h ILE 17 Ca -0.21 -1.07 -0.72 0.00 -0.39 0.00 0.00 64.86 62.47 1iox h ILE 17 Cb 1.16 1.29 -0.32 0.00 -3.07 0.00 0.00 36.82 35.88 1iox h ILE 17 CO 0.25 0.20 0.50 2.29 -0.69 0.00 0.00 178.15 180.70 1iox n LYS 18 N -4.94 3.51 -3.72 2.37 2.85 -0.78 -4.96 118.16 112.48 1iox n LYS 18 Ca -0.08 -4.11 -0.14 0.00 -1.05 0.00 0.00 58.31 52.94 1iox n LYS 18 Cb 0.26 -2.30 -0.09 0.00 -0.65 0.00 0.00 35.03 32.25 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 -1.92 -0.25 -0.09 2.58 0.00 -1.25 -2.15 107.32 104.23 1iox s GLY 19 Ca 0.48 0.70 -0.05 0.00 0.00 0.00 0.00 44.72 45.85 1iox s GLY 19 CO -0.28 0.49 0.11 0.50 0.00 0.00 0.00 173.10 173.91 1iox s ARG 20 N -0.86 3.30 -0.17 2.90 0.52 0.86 -4.83 118.95 120.66 1iox s ARG 20 Ca -0.09 -0.25 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 1iox s ARG 20 Cb -0.04 -3.06 -0.00 0.00 0.52 0.00 0.00 34.95 32.37 1iox s ARG 20 CO 0.04 0.74 -0.14 0.00 0.02 0.00 0.00 175.30 175.96 1iox s ARG 22 N 1.01 3.09 -0.41 0.00 3.52 0.80 -1.63 118.95 125.33 1iox s ARG 22 Ca -0.01 -0.90 -0.21 0.00 -0.13 0.00 0.00 55.73 54.48 1iox s ARG 22 Cb -0.15 -4.04 0.02 0.00 -1.56 0.00 0.00 34.95 29.22 1iox s ARG 22 CO -0.03 -1.00 0.66 0.12 -0.81 0.00 0.00 175.30 174.24 1iox s PHE 23 N 2.21 3.09 -0.30 5.12 2.19 -0.61 -1.57 117.98 128.11 1iox s PHE 23 Ca 0.12 0.13 -0.28 0.00 0.33 0.00 0.00 56.93 57.23 1iox s PHE 23 Cb -0.19 -3.30 0.01 0.00 -1.31 0.00 0.00 43.02 38.23 1iox s PHE 23 CO 0.12 -0.79 1.02 0.08 1.83 0.00 0.00 175.22 177.48 1iox s VAL 24 N 2.83 4.59 -0.12 3.12 1.01 -0.93 -3.60 120.40 127.31 1iox s VAL 24 Ca 0.24 1.68 -0.10 0.00 0.00 0.00 0.00 61.98 63.80 1iox s VAL 24 Cb -0.14 -4.35 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 1iox s VAL 24 CO 0.18 -0.39 0.23 0.58 0.00 0.00 0.00 175.10 175.70 1iox h VAL 25 N 5.66 0.58 -0.98 2.92 2.07 -1.95 -2.65 116.25 121.91 1iox h VAL 25 Ca -0.21 -1.45 0.33 0.00 0.82 0.00 0.00 66.70 66.18 1iox h VAL 25 Cb 1.07 1.12 -0.17 0.00 -1.52 0.00 0.00 31.29 31.78 1iox h VAL 25 CO 1.00 0.20 0.32 0.00 0.02 0.00 0.00 177.57 179.10 1iox h ALA 26 N -0.68 1.65 -3.37 1.67 0.00 -2.00 -3.13 119.26 113.41 1iox h ALA 26 Ca -0.01 0.28 -0.62 0.00 0.00 0.00 0.00 54.91 54.55 1iox h ALA 26 Cb 0.38 0.40 -0.40 0.00 0.00 0.00 0.00 17.79 18.16 1iox h ALA 26 CO -0.01 -0.70 -0.72 -2.00 0.00 0.00 0.00 179.25 175.82 1iox s GLU 27 N -5.77 1.25 -0.72 0.00 2.12 -1.25 -5.03 118.70 109.29 1iox s GLU 27 Ca -0.11 -1.71 -0.08 0.00 0.36 0.00 0.00 54.97 53.43 1iox s GLU 27 Cb 0.30 -2.68 -0.24 0.00 0.26 0.00 0.00 34.13 31.77 1iox s GLU 27 CO 0.78 -1.01 1.59 1.04 -0.54 0.00 0.00 175.26 177.12 1iox n GLN 28 N 4.21 0.00 -3.25 4.30 6.02 -1.19 -4.57 117.38 122.91 1iox n GLN 28 Ca 0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.85 1iox n GLN 28 Cb 0.40 -0.75 -0.06 0.00 1.02 0.00 0.00 30.24 30.84 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1iox s THR 29 N 0.44 -0.31 -0.65 5.09 2.01 -1.00 -5.00 115.64 116.22 1iox s THR 29 Ca 0.96 -1.38 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 1iox s THR 29 Cb -0.64 -0.66 -0.00 0.00 0.01 0.00 0.00 72.50 71.21 1iox s THR 29 CO 0.41 -0.62 1.65 -2.16 -0.69 0.00 0.00 174.62 173.21 1iox s PRO 30 N 0.98 2.84 -0.13 4.92 0.04 -1.26 -2.19 135.00 140.20 1iox s PRO 30 Ca 0.23 0.31 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 1iox s PRO 30 Cb -0.07 -4.31 -0.05 0.00 0.04 0.00 0.00 34.50 30.11 1iox s PRO 30 CO -0.07 -2.51 0.25 0.45 0.04 0.00 0.00 177.00 175.16 1iox s SER 31 N 6.50 6.45 -0.38 6.66 0.15 -0.61 -4.97 113.70 127.50 1iox s SER 31 Ca 0.56 0.53 -0.02 0.00 0.70 0.00 0.00 55.95 57.71 1iox s SER 31 Cb -0.11 -2.15 0.10 0.00 -1.71 0.00 0.00 66.02 62.14 1iox s SER 31 CO 0.19 0.21 0.15 0.00 1.20 0.00 0.00 173.24 174.99 1iox s VAL 33 N 1.15 5.32 0.25 0.00 1.01 0.22 -4.95 120.40 123.39 1iox s VAL 33 Ca 0.06 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1iox s VAL 33 Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1iox s VAL 33 CO -0.04 0.29 0.45 0.00 0.00 0.00 0.00 175.10 175.80 1iox n ASP 35 N -0.93 1.35 -0.21 0.00 8.00 -0.91 -4.79 116.55 119.05 1iox n ASP 35 Ca -0.04 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.60 1iox n ASP 35 Cb 0.54 -1.02 0.08 0.00 -0.02 0.00 0.00 41.12 40.70 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 5.08 0.03 -1.83 -1.24 4.81 -1.94 0.59 114.58 120.09 1iox h GLU 36 Ca -0.47 -0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.31 1iox h GLU 36 Cb 1.36 -0.01 -0.17 0.00 0.63 0.00 0.00 28.75 30.57 1iox h GLU 36 CO 0.86 0.02 0.40 0.41 -0.73 0.00 0.00 179.01 179.97 1iox n GLY 37 N -1.42 4.28 3.80 1.92 0.00 -1.26 -4.92 105.19 107.60 1iox n GLY 37 Ca 0.08 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.75 2.49 0.03 1.61 1.13 0.20 -1.92 117.35 119.15 1iox s TYR 38 Ca 0.51 -0.60 -0.07 0.00 -1.41 0.00 0.00 57.07 55.49 1iox s TYR 38 Cb 0.34 -2.01 -0.00 0.00 -1.10 0.00 0.00 41.96 39.19 1iox s TYR 38 CO -0.15 0.02 0.13 0.42 -2.51 0.00 0.00 175.55 173.46 1iox s ILE 39 N -2.59 0.11 0.00 -3.49 -1.09 -0.65 -4.52 121.20 108.97 1iox s ILE 39 Ca 0.41 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 1iox s ILE 39 Cb 0.01 -0.77 0.00 0.00 -1.58 0.00 0.00 42.46 40.12 1iox s ILE 39 CO 0.23 -0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.04 1iox n GLY 40 N 0.93 2.74 0.20 6.18 0.00 -1.26 -1.09 105.19 112.88 1iox n GLY 40 Ca -0.20 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 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 0.16 -0.60 4.61 0.00 -2.00 -3.20 119.26 118.23 1iox h ALA 41 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1iox h ALA 41 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1iox h ALA 41 CO 0.00 0.69 0.00 0.54 0.00 0.00 0.00 179.25 180.48 1iox n ARG 42 N -3.86 2.96 -2.64 0.00 5.12 -1.26 -4.94 116.66 112.05 1iox n ARG 42 Ca -0.10 -2.40 -0.09 0.00 -1.93 0.00 0.00 57.85 53.32 1iox n ARG 42 Cb 0.87 -1.67 0.05 0.00 -1.16 0.00 0.00 32.46 30.55 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iox n GLU 44 N -2.63 0.85 -2.78 0.00 2.13 -1.17 -1.87 120.64 115.18 1iox n GLU 44 Ca -0.09 0.07 -0.20 0.00 0.66 0.00 0.00 57.16 57.59 1iox n GLU 44 Cb 0.58 -1.37 0.09 0.00 0.27 0.00 0.00 31.44 31.01 1iox n GLU 44 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1iox n ARG 45 N -2.87 0.34 -3.77 5.31 1.74 -0.25 -4.95 116.66 112.20 1iox n ARG 45 Ca -0.30 -2.91 -0.13 0.00 -0.77 0.00 0.00 57.85 53.75 1iox n ARG 45 Cb 0.89 -0.40 -0.08 0.00 -1.02 0.00 0.00 32.46 31.85 1iox n ARG 45 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1iox s VAL 46 N -2.72 0.06 -0.76 1.55 0.11 -1.26 -1.63 120.40 115.76 1iox s VAL 46 Ca 0.62 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1iox s VAL 46 Cb -0.04 -0.66 0.19 0.00 -1.53 0.00 0.00 36.38 34.33 1iox s VAL 46 CO 0.40 -0.29 0.59 -0.62 -3.33 0.00 0.00 175.10 171.85 1iox s ASP 47 N -1.47 5.39 0.00 3.54 2.15 -0.81 -4.74 116.67 120.73 1iox s ASP 47 Ca -0.12 -3.54 0.08 0.00 0.43 0.00 0.00 52.55 49.40 1iox s ASP 47 Cb -0.05 -1.80 0.12 0.00 -0.30 0.00 0.00 42.92 40.89 1iox s ASP 47 CO 0.03 -0.19 0.90 0.00 -0.17 0.00 0.00 175.17 175.73 1iox n LEU 48 N 2.51 2.01 -0.03 -1.34 -0.00 -1.26 -4.73 117.00 114.16 1iox n LEU 48 Ca 0.17 -1.29 -0.01 0.00 -0.00 0.00 0.00 56.01 54.87 1iox n LEU 48 Cb 0.36 -0.05 -0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1iox n LEU 48 CO 0.33 0.44 -0.11 0.15 -0.00 0.00 0.00 177.39 178.20 1iox h PHE 49 N 1.65 0.00 0.00 1.47 3.04 -1.98 -3.56 116.94 117.56 1iox h PHE 49 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1iox h PHE 49 Cb 0.45 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.96 1iox h PHE 49 CO 0.05 0.00 0.00 0.98 -2.02 0.00 0.00 178.31 177.32