#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iox s LYS 2 N 0.00 0.37 0.00 2.89 2.20 -1.26 -5.15 119.74 118.79 1iox s LYS 2 Ca 0.00 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 1iox s LYS 2 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1iox s LYS 2 CO 0.00 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1iox n GLY 3 N 5.39 -0.10 2.73 5.54 0.00 -1.26 -5.11 105.19 112.38 1iox n GLY 3 Ca -0.07 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 1iox n GLY 3 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1iox n HIS 4 N -0.19 -2.86 -1.83 1.61 1.44 -1.26 -5.15 115.22 106.98 1iox n HIS 4 Ca 0.00 -1.38 0.00 0.00 -2.01 0.00 0.00 57.72 54.33 1iox n HIS 4 Cb 0.00 1.43 0.00 0.00 0.12 0.00 0.00 29.99 31.54 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1iox n PHE 5 N 2.11 0.00 -4.93 -1.40 3.72 -1.26 -5.05 117.46 110.65 1iox n PHE 5 Ca 0.11 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.23 1iox n PHE 5 Cb 0.62 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.18 2.44 0.14 4.37 0.01 -1.24 -5.02 113.70 114.21 1iox s SER 6 Ca 0.00 -0.42 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1iox s SER 6 Cb 0.00 -0.96 -0.07 0.00 0.21 0.00 0.00 66.02 65.20 1iox s SER 6 CO 0.00 0.13 0.51 -0.60 0.41 0.00 0.00 173.24 173.69 1iox s ARG 7 N 0.31 3.91 0.11 12.44 3.52 -1.26 -1.57 118.95 136.40 1iox s ARG 7 Ca -0.12 0.39 -0.22 0.00 -0.13 0.00 0.00 55.73 55.64 1iox s ARG 7 Cb -0.15 -2.92 -0.07 0.00 -1.56 0.00 0.00 34.95 30.24 1iox s ARG 7 CO 0.05 0.49 0.67 0.00 -0.81 0.00 0.00 175.30 175.70 1iox s PRO 9 N -1.00 1.47 0.51 0.00 0.04 -1.26 -4.69 135.00 130.07 1iox s PRO 9 Ca 0.33 0.55 0.19 0.00 0.04 0.00 0.00 61.00 62.10 1iox s PRO 9 Cb -0.21 -1.86 1.28 0.00 0.04 0.00 0.00 34.50 33.75 1iox s PRO 9 CO 0.22 -2.02 2.11 0.87 0.04 0.00 0.00 177.00 178.21 1iox h LYS 10 N -1.38 0.00 0.00 4.56 1.57 -1.97 -1.33 116.57 118.02 1iox h LYS 10 Ca -0.49 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.22 1iox h LYS 10 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1iox h LYS 10 CO 0.59 0.07 -0.31 1.96 -0.57 0.00 0.00 179.45 181.19 1iox h GLN 11 N 0.00 0.00 -0.47 3.15 1.08 -2.01 -2.28 115.11 114.59 1iox h GLN 11 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1iox h GLN 11 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1iox h GLN 11 CO 0.01 0.31 0.00 0.66 -0.95 0.00 0.00 178.83 178.86 1iox n TYR 12 N -4.09 0.61 -1.56 2.96 4.01 -0.54 -4.52 117.16 114.03 1iox n TYR 12 Ca -0.02 -0.30 -0.29 0.00 -0.16 0.00 0.00 57.90 57.13 1iox n TYR 12 Cb 0.36 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.36 2.78 0.13 -0.72 4.81 -0.86 -4.42 118.16 121.24 1iox n LYS 13 Ca 0.20 -2.48 0.08 0.00 -0.87 0.00 0.00 58.31 55.24 1iox n LYS 13 Cb 0.56 -2.23 0.04 0.00 0.02 0.00 0.00 35.03 33.42 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 3.29 0.00 -0.16 5.64 3.86 -1.81 -3.16 115.15 122.81 1iox h HIS 14 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 1iox h HIS 14 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1iox h HIS 14 CO 1.51 0.18 0.00 2.48 0.86 0.00 0.00 177.93 182.95 1iox n TYR 15 N -2.92 0.21 -3.62 2.45 0.18 -1.26 -4.79 117.16 107.41 1iox n TYR 15 Ca -0.00 -0.10 -0.01 0.00 1.88 0.00 0.00 57.90 59.67 1iox n TYR 15 Cb 0.62 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.54 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 -2.35 0.00 2.08 -0.90 -4.34 119.36 119.28 1iox n ILE 17 Ca -0.11 0.28 -0.41 0.00 0.56 0.00 0.00 62.75 63.07 1iox n ILE 17 Cb 0.49 -0.62 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 1iox n ILE 17 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1iox n LYS 18 N -0.36 4.44 -3.69 0.38 2.85 -0.83 -4.90 118.16 116.05 1iox n LYS 18 Ca 0.00 -3.84 -0.14 0.00 -1.05 0.00 0.00 58.31 53.28 1iox n LYS 18 Cb 0.00 -2.67 -0.09 0.00 -0.65 0.00 0.00 35.03 31.62 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 -0.10 -0.34 0.23 2.58 0.00 -1.26 -2.33 107.32 106.09 1iox s GLY 19 Ca 0.44 1.07 -0.04 0.00 0.00 0.00 0.00 44.72 46.19 1iox s GLY 19 CO -0.04 0.85 0.47 0.50 0.00 0.00 0.00 173.10 174.87 1iox s ARG 20 N -0.44 3.60 -0.07 2.90 3.00 0.15 -4.86 118.95 123.23 1iox s ARG 20 Ca -0.06 -0.11 0.01 0.00 0.00 0.00 0.00 55.73 55.57 1iox s ARG 20 Cb -0.03 -2.75 0.02 0.00 0.00 0.00 0.00 34.95 32.19 1iox s ARG 20 CO 0.03 0.33 -0.09 0.00 0.00 0.00 0.00 175.30 175.57 1iox s ARG 22 N 1.03 2.74 -0.39 0.00 0.52 0.69 -1.39 118.95 122.15 1iox s ARG 22 Ca -0.08 -1.26 -0.19 0.00 -0.52 0.00 0.00 55.73 53.68 1iox s ARG 22 Cb -0.15 -3.78 0.01 0.00 0.52 0.00 0.00 34.95 31.56 1iox s ARG 22 CO -0.00 -0.83 0.54 0.12 0.02 0.00 0.00 175.30 175.14 1iox s PHE 23 N 1.50 3.14 -0.34 -0.53 2.19 -0.61 -1.60 117.98 121.73 1iox s PHE 23 Ca 0.02 -0.03 -0.29 0.00 0.33 0.00 0.00 56.93 56.97 1iox s PHE 23 Cb -0.21 -3.05 0.02 0.00 -1.31 0.00 0.00 43.02 38.46 1iox s PHE 23 CO 0.05 -0.68 1.07 0.08 1.83 0.00 0.00 175.22 177.57 1iox s VAL 24 N 2.47 4.48 -0.03 3.12 1.01 -0.74 -3.65 120.40 127.05 1iox s VAL 24 Ca 0.18 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.80 1iox s VAL 24 Cb -0.15 -4.43 -0.00 0.00 0.00 0.00 0.00 36.38 31.79 1iox s VAL 24 CO 0.15 -0.55 0.05 0.58 0.00 0.00 0.00 175.10 175.33 1iox h VAL 25 N 5.80 0.00 -1.45 2.92 2.07 -1.96 -2.52 116.25 121.12 1iox h VAL 25 Ca -0.21 -0.32 0.45 0.00 0.82 0.00 0.00 66.70 67.45 1iox h VAL 25 Cb 1.06 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 1iox h VAL 25 CO 1.04 0.00 0.97 0.00 0.02 0.00 0.00 177.57 179.60 1iox h ALA 26 N -1.67 3.00 -3.20 1.67 0.00 -1.99 -2.79 119.26 114.28 1iox h ALA 26 Ca -0.00 0.06 -0.63 0.00 0.00 0.00 0.00 54.91 54.34 1iox h ALA 26 Cb 0.01 0.18 -0.41 0.00 0.00 0.00 0.00 17.79 17.58 1iox h ALA 26 CO 0.00 -1.59 -0.67 -1.21 0.00 0.00 0.00 179.25 175.79 1iox s GLU 27 N -5.18 1.77 -0.79 0.00 2.02 -1.25 -5.03 118.70 110.24 1iox s GLU 27 Ca -0.07 -2.47 -0.08 0.00 0.02 0.00 0.00 54.97 52.37 1iox s GLU 27 Cb 0.28 -2.96 -0.26 0.00 0.10 0.00 0.00 34.13 31.29 1iox s GLU 27 CO 0.84 -1.15 1.72 0.94 0.02 0.00 0.00 175.26 177.63 1iox n GLN 28 N 3.15 0.00 -3.33 1.61 7.27 -1.05 -4.45 117.38 120.57 1iox n GLN 28 Ca 0.08 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.02 1iox n GLN 28 Cb 0.33 -0.81 -0.06 0.00 2.41 0.00 0.00 30.24 32.10 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 0.49 -0.46 -0.45 1.69 2.01 -0.96 -4.99 115.64 112.97 1iox s THR 29 Ca 1.04 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 1iox s THR 29 Cb -0.69 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1iox s THR 29 CO 0.44 -0.47 1.40 -2.16 -0.69 0.00 0.00 174.62 173.15 1iox s PRO 30 N 1.61 3.52 -0.04 4.92 0.04 -1.26 -1.80 135.00 141.99 1iox s PRO 30 Ca 0.16 0.81 0.02 0.00 0.04 0.00 0.00 61.00 62.03 1iox s PRO 30 Cb -0.13 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 1iox s PRO 30 CO -0.07 -1.64 -0.08 0.45 0.04 0.00 0.00 177.00 175.70 1iox s SER 31 N 3.98 4.56 -0.31 6.66 0.15 -0.63 -4.99 113.70 123.12 1iox s SER 31 Ca 0.59 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1iox s SER 31 Cb -0.13 -1.09 0.10 0.00 -1.71 0.00 0.00 66.02 63.19 1iox s SER 31 CO 0.31 0.33 0.08 0.00 1.20 0.00 0.00 173.24 175.17 1iox s VAL 33 N 1.47 5.27 0.35 0.00 1.01 0.12 -4.94 120.40 123.67 1iox s VAL 33 Ca 0.10 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1iox s VAL 33 Cb -0.18 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1iox s VAL 33 CO -0.21 0.34 0.56 0.00 0.00 0.00 0.00 175.10 175.79 1iox n ASP 35 N -1.70 2.95 -0.13 0.00 9.92 -0.98 -4.78 116.55 121.83 1iox n ASP 35 Ca -0.04 0.80 0.27 0.00 -0.53 0.00 0.00 54.79 55.29 1iox n ASP 35 Cb 0.56 -1.32 0.72 0.00 -0.64 0.00 0.00 41.12 40.44 1iox n ASP 35 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1iox h GLU 36 N 10.05 0.00 -1.25 -1.24 9.09 -1.94 0.31 114.58 129.61 1iox h GLU 36 Ca -0.43 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 58.65 1iox h GLU 36 Cb 1.29 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 28.23 1iox h GLU 36 CO 0.97 0.00 0.42 0.41 0.05 0.00 0.00 179.01 180.86 1iox n GLY 37 N -1.68 3.88 3.75 1.06 0.00 -1.26 -4.90 105.19 106.04 1iox n GLY 37 Ca 0.16 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.95 2.33 0.06 1.61 1.13 0.11 -1.94 117.35 118.70 1iox s TYR 38 Ca 0.33 -0.70 -0.13 0.00 -1.41 0.00 0.00 57.07 55.17 1iox s TYR 38 Cb 0.27 -1.87 0.02 0.00 -1.10 0.00 0.00 41.96 39.28 1iox s TYR 38 CO 0.02 0.14 0.28 0.42 -2.51 0.00 0.00 175.55 173.90 1iox s ILE 39 N -2.69 0.09 0.00 -3.49 1.01 -0.63 -4.62 121.20 110.87 1iox s ILE 39 Ca 0.33 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1iox s ILE 39 Cb 0.04 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.48 1iox s ILE 39 CO 0.18 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1iox n GLY 40 N 0.40 1.78 0.11 6.18 0.00 -1.26 -0.65 105.19 111.75 1iox n GLY 40 Ca -0.18 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.56 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 0.15 -0.35 4.61 0.00 -2.00 -3.33 119.26 118.33 1iox h ALA 41 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1iox h ALA 41 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1iox h ALA 41 CO 0.00 0.66 0.00 0.54 0.00 0.00 0.00 179.25 180.45 1iox n ARG 42 N -4.12 2.12 -2.83 0.00 5.12 -1.26 -4.89 116.66 110.80 1iox n ARG 42 Ca -0.23 -1.40 -0.10 0.00 -1.93 0.00 0.00 57.85 54.19 1iox n ARG 42 Cb 0.80 -1.43 0.05 0.00 -1.16 0.00 0.00 32.46 30.71 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 -2.69 0.65 -2.08 0.00 1.02 -1.20 -1.96 120.64 114.38 1iox n GLU 44 Ca -0.11 0.12 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1iox n GLU 44 Cb 0.57 -1.49 0.10 0.00 -0.02 0.00 0.00 31.44 30.60 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 -2.49 1.78 0.02 3.49 0.52 0.18 -4.94 118.95 117.51 1iox s ARG 45 Ca -0.30 -0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 54.59 1iox s ARG 45 Cb 0.08 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1iox s ARG 45 CO 0.60 -1.60 0.17 0.54 0.02 0.00 0.00 175.30 175.04 1iox s VAL 46 N -3.47 0.10 -0.36 3.52 0.11 -1.26 -1.61 120.40 117.43 1iox s VAL 46 Ca 0.64 -0.81 0.12 0.00 -2.93 0.00 0.00 61.98 59.00 1iox s VAL 46 Cb -0.09 -0.71 0.45 0.00 -1.53 0.00 0.00 36.38 34.50 1iox s VAL 46 CO 0.48 -0.45 1.07 -0.67 -3.33 0.00 0.00 175.10 172.20 1iox n ASP 47 N 1.02 3.24 0.00 3.54 2.03 -0.82 -4.76 116.55 120.81 1iox n ASP 47 Ca -0.21 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 51.94 1iox n ASP 47 Cb 0.57 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.38 0.01 -0.03 -2.67 7.94 -1.26 -4.85 117.00 115.75 1iox n LEU 48 Ca 0.26 0.02 -0.07 0.00 -1.11 0.00 0.00 56.01 55.11 1iox n LEU 48 Cb 0.78 0.01 0.12 0.00 0.53 0.00 0.00 43.42 44.85 1iox n LEU 48 CO 0.29 -0.39 0.67 -0.26 -1.11 0.00 0.00 177.39 176.59 1iox h PHE 49 N 0.00 0.72 0.00 1.96 -1.00 -1.93 -3.55 116.94 113.15 1iox h PHE 49 Ca 0.00 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.60 1iox h PHE 49 Cb 0.25 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1iox h PHE 49 CO 0.00 0.86 0.00 0.66 -1.61 0.00 0.00 178.31 178.22