#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 -1.98 5.56 2.85 -1.26 -5.06 118.16 118.27 1iox n LYS 2 Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 1iox n LYS 2 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 1iox n LYS 2 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1iox s GLY 3 N 0.00 0.09 -0.39 2.58 0.00 -1.26 -4.73 107.32 103.62 1iox s GLY 3 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 1iox s GLY 3 CO 0.00 3.54 1.02 1.57 0.00 0.00 0.00 173.10 179.23 1iox n HIS 4 N 13.61 -1.56 -2.67 1.90 -0.00 -1.26 -5.16 115.22 120.07 1iox n HIS 4 Ca 0.28 -0.89 0.00 0.00 -0.00 0.00 0.00 57.72 57.11 1iox n HIS 4 Cb 0.51 1.21 0.00 0.00 -0.00 0.00 0.00 29.99 31.71 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 2.48 0.00 -4.29 1.57 3.72 -1.26 -4.97 117.46 114.71 1iox n PHE 5 Ca 0.12 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.31 1iox n PHE 5 Cb 0.63 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.88 1.16 -0.04 4.37 0.01 -1.24 -5.04 113.70 113.80 1iox s SER 6 Ca 0.00 -0.18 -0.24 0.00 1.31 0.00 0.00 55.95 56.84 1iox s SER 6 Cb 0.00 -0.55 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1iox s SER 6 CO 0.00 -0.02 0.75 -0.60 0.41 0.00 0.00 173.24 173.77 1iox s ARG 7 N 0.80 4.46 0.02 12.44 3.52 -1.26 -1.71 118.95 137.22 1iox s ARG 7 Ca -0.12 0.98 -0.30 0.00 -0.13 0.00 0.00 55.73 56.15 1iox s ARG 7 Cb -0.15 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1iox s ARG 7 CO 0.01 0.09 1.31 0.00 -0.81 0.00 0.00 175.30 175.90 1iox s PRO 9 N 1.85 1.25 0.45 0.00 0.04 -1.26 -4.69 135.00 132.64 1iox s PRO 9 Ca 0.61 0.54 0.20 0.00 0.04 0.00 0.00 61.00 62.39 1iox s PRO 9 Cb -0.30 -1.83 1.09 0.00 0.04 0.00 0.00 34.50 33.49 1iox s PRO 9 CO 0.27 -2.17 1.95 0.87 0.04 0.00 0.00 177.00 177.96 1iox h LYS 10 N -1.49 0.00 -0.01 4.56 1.57 -1.94 -1.67 116.57 117.59 1iox h LYS 10 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1iox h LYS 10 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1iox h LYS 10 CO 0.59 0.22 0.06 0.37 -0.57 0.00 0.00 179.45 180.12 1iox h GLN 11 N 0.00 0.00 0.00 3.15 4.15 -2.02 -1.91 115.11 118.48 1iox h GLN 11 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1iox h GLN 11 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1iox h GLN 11 CO 0.03 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.59 1iox n TYR 12 N -3.11 0.00 -1.54 3.99 4.01 -0.85 -4.80 117.16 114.86 1iox n TYR 12 Ca -0.03 -0.11 -0.30 0.00 -0.16 0.00 0.00 57.90 57.30 1iox n TYR 12 Cb 0.13 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.11 3.24 0.07 -0.72 4.81 -0.69 -4.42 118.16 120.35 1iox n LYS 13 Ca 0.00 -2.45 0.12 0.00 -0.87 0.00 0.00 58.31 55.11 1iox n LYS 13 Cb 0.11 -2.37 0.22 0.00 0.02 0.00 0.00 35.03 33.01 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1iox h HIS 14 N 3.82 0.00 -0.09 5.64 3.86 -1.87 -3.15 115.15 123.36 1iox h HIS 14 Ca 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 1iox h HIS 14 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1iox h HIS 14 CO 1.63 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.90 1iox n TYR 15 N -2.17 0.10 -2.84 2.45 0.18 -1.26 -4.52 117.16 109.09 1iox n TYR 15 Ca 0.04 -0.05 -0.07 0.00 1.88 0.00 0.00 57.90 59.70 1iox n TYR 15 Cb 0.44 0.00 -0.00 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 4.77 0.21 -2.29 0.00 2.04 -1.47 -2.88 117.51 117.89 1iox h ILE 17 Ca 0.07 0.00 -0.68 0.00 1.00 0.00 0.00 64.86 65.25 1iox h ILE 17 Cb 1.08 0.21 -0.36 0.00 -0.74 0.00 0.00 36.82 37.01 1iox h ILE 17 CO 0.08 0.00 0.01 2.29 0.00 0.00 0.00 178.15 180.53 1iox n LYS 18 N -5.42 4.03 -3.65 2.37 2.85 -0.75 -4.99 118.16 112.60 1iox n LYS 18 Ca -0.00 -4.78 -0.14 0.00 -1.05 0.00 0.00 58.31 52.34 1iox n LYS 18 Cb 0.34 -2.33 -0.08 0.00 -0.65 0.00 0.00 35.03 32.31 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 -2.61 -0.47 -0.23 2.58 0.00 -1.09 -2.28 107.32 103.22 1iox s GLY 19 Ca 0.44 1.69 -0.14 0.00 0.00 0.00 0.00 44.72 46.71 1iox s GLY 19 CO -0.12 1.43 0.32 -1.60 0.00 0.00 0.00 173.10 173.14 1iox s ARG 20 N 0.14 4.09 -0.16 2.90 3.52 0.16 -4.83 118.95 124.77 1iox s ARG 20 Ca -0.01 0.01 -0.03 0.00 -0.13 0.00 0.00 55.73 55.57 1iox s ARG 20 Cb -0.04 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1iox s ARG 20 CO 0.02 -0.09 -0.06 0.00 -0.81 0.00 0.00 175.30 174.36 1iox s ARG 22 N 0.62 3.96 -0.46 0.00 3.52 0.95 -1.86 118.95 125.68 1iox s ARG 22 Ca -0.04 0.00 -0.15 0.00 -0.13 0.00 0.00 55.73 55.42 1iox s ARG 22 Cb -0.15 -3.67 0.06 0.00 -1.56 0.00 0.00 34.95 29.63 1iox s ARG 22 CO 0.03 -0.32 0.37 0.12 -0.81 0.00 0.00 175.30 174.69 1iox s PHE 23 N 2.09 3.25 -0.27 5.12 2.19 -0.69 -1.57 117.98 128.09 1iox s PHE 23 Ca 0.15 -0.89 -0.29 0.00 0.33 0.00 0.00 56.93 56.24 1iox s PHE 23 Cb -0.16 -3.04 0.01 0.00 -1.31 0.00 0.00 43.02 38.52 1iox s PHE 23 CO 0.10 -0.76 1.05 0.08 1.83 0.00 0.00 175.22 177.52 1iox s VAL 24 N 1.64 4.61 -0.11 3.12 1.01 -0.96 -3.63 120.40 126.08 1iox s VAL 24 Ca 0.04 1.87 -0.05 0.00 0.00 0.00 0.00 61.98 63.85 1iox s VAL 24 Cb -0.23 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1iox s VAL 24 CO 0.07 -0.32 0.11 0.58 0.00 0.00 0.00 175.10 175.55 1iox h VAL 25 N 5.58 0.28 -0.92 2.92 2.07 -1.93 -2.67 116.25 121.58 1iox h VAL 25 Ca -0.20 -1.21 0.18 0.00 0.82 0.00 0.00 66.70 66.29 1iox h VAL 25 Cb 1.06 0.52 -0.17 0.00 -1.52 0.00 0.00 31.29 31.18 1iox h VAL 25 CO 1.00 0.09 -0.26 0.00 0.02 0.00 0.00 177.57 178.43 1iox h ALA 26 N -0.85 0.52 -3.34 1.67 0.00 -1.94 -3.13 119.26 112.19 1iox h ALA 26 Ca -0.00 0.34 -0.68 0.00 0.00 0.00 0.00 54.91 54.57 1iox h ALA 26 Cb 0.17 0.75 -0.37 0.00 0.00 0.00 0.00 17.79 18.33 1iox h ALA 26 CO -0.00 -0.43 -0.58 -1.21 0.00 0.00 0.00 179.25 177.03 1iox s GLU 27 N -6.20 1.96 -0.74 0.00 2.02 -1.26 -5.01 118.70 109.46 1iox s GLU 27 Ca -0.15 -2.10 -0.08 0.00 0.02 0.00 0.00 54.97 52.66 1iox s GLU 27 Cb 0.24 -3.46 -0.24 0.00 0.10 0.00 0.00 34.13 30.77 1iox s GLU 27 CO 0.76 -1.06 1.64 0.94 0.02 0.00 0.00 175.26 177.56 1iox n GLN 28 N 4.05 0.00 -3.25 1.61 -0.06 -1.18 -4.57 117.38 113.98 1iox n GLN 28 Ca 0.03 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.83 1iox n GLN 28 Cb 0.39 -0.78 -0.07 0.00 -4.06 0.00 0.00 30.24 25.72 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 0.67 -0.12 -1.04 1.69 2.01 -1.01 -4.99 115.64 112.85 1iox s THR 29 Ca 0.98 -1.88 -0.23 0.00 0.31 0.00 0.00 61.69 60.87 1iox s THR 29 Cb -0.66 -0.84 0.05 0.00 0.01 0.00 0.00 72.50 71.06 1iox s THR 29 CO 0.42 -0.81 1.50 -2.16 -0.69 0.00 0.00 174.62 172.87 1iox s PRO 30 N 0.58 3.58 -0.13 4.92 0.04 -1.26 -2.26 135.00 140.46 1iox s PRO 30 Ca 0.28 -1.17 -0.15 0.00 0.04 0.00 0.00 61.00 60.00 1iox s PRO 30 Cb -0.03 -5.36 -0.05 0.00 0.04 0.00 0.00 34.50 29.10 1iox s PRO 30 CO -0.12 -2.27 0.36 0.45 0.04 0.00 0.00 177.00 175.46 1iox s SER 31 N 5.04 6.54 -0.26 6.66 0.15 -0.61 -4.96 113.70 126.25 1iox s SER 31 Ca 0.48 0.64 -0.03 0.00 0.70 0.00 0.00 55.95 57.74 1iox s SER 31 Cb 0.00 -2.22 0.03 0.00 -1.71 0.00 0.00 66.02 62.12 1iox s SER 31 CO -0.08 0.09 -0.03 0.00 1.20 0.00 0.00 173.24 174.43 1iox s VAL 33 N 1.35 4.20 0.27 0.00 1.01 -0.39 -4.92 120.40 121.92 1iox s VAL 33 Ca -0.00 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1iox s VAL 33 Cb -0.17 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1iox s VAL 33 CO -0.03 0.48 0.35 0.00 0.00 0.00 0.00 175.10 175.89 1iox n ASP 35 N -1.41 4.00 -0.46 0.00 8.00 -0.96 -4.80 116.55 120.91 1iox n ASP 35 Ca -0.06 0.90 0.38 0.00 0.71 0.00 0.00 54.79 56.73 1iox n ASP 35 Cb 0.58 -1.49 0.69 0.00 -0.02 0.00 0.00 41.12 40.88 1iox n ASP 35 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1iox h GLU 36 N 10.41 0.09 -1.68 -1.24 4.11 -1.95 0.43 114.58 124.73 1iox h GLU 36 Ca -0.49 -0.01 -0.40 0.00 0.07 0.00 0.00 59.36 58.53 1iox h GLU 36 Cb 1.25 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.32 1iox h GLU 36 CO 0.94 0.06 0.42 0.41 0.07 0.00 0.00 179.01 180.91 1iox n GLY 37 N -1.66 4.26 3.50 1.06 0.00 -1.26 -4.90 105.19 106.19 1iox n GLY 37 Ca 0.35 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.83 2.07 0.01 1.61 1.13 0.15 -1.89 117.35 118.60 1iox s TYR 38 Ca 0.43 -0.91 -0.15 0.00 -1.41 0.00 0.00 57.07 55.03 1iox s TYR 38 Cb 0.31 -1.39 0.02 0.00 -1.10 0.00 0.00 41.96 39.80 1iox s TYR 38 CO -0.09 0.09 0.32 0.42 -2.51 0.00 0.00 175.55 173.79 1iox s ILE 39 N -3.16 0.06 0.00 -3.49 1.01 -0.83 -4.72 121.20 110.08 1iox s ILE 39 Ca 0.35 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1iox s ILE 39 Cb 0.09 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.81 1iox s ILE 39 CO 0.16 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.42 1iox n GLY 40 N 1.01 2.20 0.14 6.18 0.00 -1.26 -0.77 105.19 112.69 1iox n GLY 40 Ca -0.20 -2.10 -0.22 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 0.29 -0.40 4.61 0.00 -1.99 -3.34 119.26 118.43 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 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.38 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 2.06 -3.20 0.00 3.00 -1.26 -4.90 116.66 108.75 1iox n ARG 42 Ca -0.28 -1.51 -0.15 0.00 -0.01 0.00 0.00 57.85 55.90 1iox n ARG 42 Cb 1.03 -1.37 0.05 0.00 0.00 0.00 0.00 32.46 32.17 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 -3.48 0.70 -2.31 0.00 0.28 -1.25 -1.81 120.64 112.77 1iox n GLU 44 Ca -0.02 -0.04 -0.28 0.00 -0.16 0.00 0.00 57.16 56.66 1iox n GLU 44 Cb 0.55 -1.52 0.02 0.00 1.43 0.00 0.00 31.44 31.93 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 -2.66 3.11 0.04 3.44 3.52 0.05 -4.97 118.95 121.49 1iox s ARG 45 Ca -0.10 0.19 -0.01 0.00 -0.13 0.00 0.00 55.73 55.68 1iox s ARG 45 Cb 0.07 -2.24 -0.03 0.00 -1.56 0.00 0.00 34.95 31.19 1iox s ARG 45 CO 0.84 -0.63 -0.03 0.54 -0.81 0.00 0.00 175.30 175.20 1iox s VAL 46 N -3.01 0.21 -0.24 7.11 0.11 -1.26 -1.96 120.40 121.35 1iox s VAL 46 Ca 0.53 -1.56 0.12 0.00 -2.93 0.00 0.00 61.98 58.14 1iox s VAL 46 Cb -0.11 -1.17 0.45 0.00 -1.53 0.00 0.00 36.38 34.02 1iox s VAL 46 CO 0.47 -0.85 1.19 -0.67 -3.33 0.00 0.00 175.10 171.90 1iox n ASP 47 N 0.52 3.28 -3.59 3.54 2.03 -0.79 -4.72 116.55 116.82 1iox n ASP 47 Ca -0.17 -3.45 -0.30 0.00 0.52 0.00 0.00 54.79 51.39 1iox n ASP 47 Cb 0.59 -0.41 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 1iox n ASP 47 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1iox n LEU 48 N -0.73 4.09 0.00 -2.67 0.00 -1.26 -4.90 117.00 111.53 1iox n LEU 48 Ca 0.29 -5.38 0.00 0.00 0.00 0.00 0.00 56.01 50.93 1iox n LEU 48 Cb 0.88 -0.79 0.00 0.00 0.00 0.00 0.00 43.42 43.51 1iox n LEU 48 CO 0.20 1.95 0.00 0.49 0.00 0.00 0.00 177.39 180.03 1iox n PHE 49 N 1.10 0.00 1.50 1.96 3.01 -1.26 -5.23 117.46 118.53 1iox n PHE 49 Ca 0.28 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.88 1iox n PHE 49 Cb 0.39 -0.22 0.52 0.00 -0.01 0.00 0.00 39.48 40.17 1iox n PHE 49 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43