#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 0.28 -0.36 -0.14 1.02 -1.26 -5.12 119.74 114.15 1iox s LYS 2 Ca 0.00 -0.34 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 1iox s LYS 2 Cb 0.00 0.11 0.02 0.00 -0.52 0.00 0.00 37.83 37.44 1iox s LYS 2 CO 0.00 -0.05 0.20 0.20 -0.92 0.00 0.00 175.35 174.77 1iox s GLY 3 N -0.97 1.92 0.00 -3.33 0.00 -1.26 -5.01 107.32 98.67 1iox s GLY 3 Ca -0.11 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1iox s GLY 3 CO -0.00 0.82 0.00 1.42 0.00 0.00 0.00 173.10 175.34 1iox n HIS 4 N 4.99 0.00 0.00 1.90 8.25 -1.26 -5.15 115.22 123.95 1iox n HIS 4 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1iox n HIS 4 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1iox n PHE 5 N 0.00 0.00 -4.22 4.41 3.72 -1.26 -5.12 117.46 114.99 1iox n PHE 5 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1iox n PHE 5 Cb 0.00 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.41 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 1.30 0.51 4.37 0.01 -1.24 -5.03 113.70 112.62 1iox s SER 6 Ca 0.00 -0.45 -0.17 0.00 1.31 0.00 0.00 55.95 56.64 1iox s SER 6 Cb 0.00 -0.06 -0.08 0.00 0.21 0.00 0.00 66.02 66.10 1iox s SER 6 CO 0.00 -0.04 0.99 -0.13 0.41 0.00 0.00 173.24 174.46 1iox s ARG 7 N -1.20 3.95 0.12 12.44 0.52 -1.26 -1.50 118.95 132.02 1iox s ARG 7 Ca -0.02 0.96 -0.28 0.00 -0.52 0.00 0.00 55.73 55.87 1iox s ARG 7 Cb -0.08 -2.14 -0.07 0.00 0.52 0.00 0.00 34.95 33.19 1iox s ARG 7 CO 0.01 -0.27 0.88 0.00 0.02 0.00 0.00 175.30 175.93 1iox s PRO 9 N -0.39 3.09 0.49 0.00 0.04 -1.26 -4.83 135.00 132.14 1iox s PRO 9 Ca 0.42 1.15 0.20 0.00 0.04 0.00 0.00 61.00 62.81 1iox s PRO 9 Cb -0.23 -2.00 1.26 0.00 0.04 0.00 0.00 34.50 33.57 1iox s PRO 9 CO 0.28 -0.99 2.06 -0.22 0.04 0.00 0.00 177.00 178.17 1iox h LYS 10 N -0.03 0.00 -0.01 4.56 3.64 -1.96 -1.67 116.57 121.10 1iox h LYS 10 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1iox h LYS 10 Cb 1.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1iox h LYS 10 CO 0.56 0.13 0.14 0.37 -2.27 0.00 0.00 179.45 178.38 1iox h GLN 11 N 0.00 0.00 0.00 1.90 4.15 -2.04 -1.59 115.11 117.53 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 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1iox h GLN 11 CO 0.02 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.58 1iox n TYR 12 N -3.07 0.00 -0.73 3.99 4.01 -0.69 -4.76 117.16 115.91 1iox n TYR 12 Ca -0.02 -0.23 -0.11 0.00 -0.16 0.00 0.00 57.90 57.37 1iox n TYR 12 Cb 0.21 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.23 1.54 0.04 -0.72 4.81 -0.60 -4.17 118.16 118.83 1iox n LYS 13 Ca 0.00 -1.07 0.13 0.00 -0.87 0.00 0.00 58.31 56.50 1iox n LYS 13 Cb 0.23 -1.42 0.31 0.00 0.02 0.00 0.00 35.03 34.17 1iox n LYS 13 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1iox n HIS 14 N 0.69 0.34 1.39 5.64 8.25 -1.26 -3.19 115.22 127.07 1iox n HIS 14 Ca 0.20 0.10 0.13 0.00 -0.26 0.00 0.00 57.72 57.89 1iox n HIS 14 Cb 0.56 -0.54 0.47 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.83 0.08 -3.16 4.41 0.18 -1.26 -4.74 117.16 110.84 1iox n TYR 15 Ca 0.05 -0.04 0.03 0.00 1.88 0.00 0.00 57.90 59.83 1iox n TYR 15 Cb 0.39 0.00 -0.01 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 5.43 0.00 -2.41 0.00 2.08 -0.84 -4.12 119.36 119.50 1iox n ILE 17 Ca -0.01 0.79 -0.41 0.00 0.56 0.00 0.00 62.75 63.69 1iox n ILE 17 Cb 0.51 -1.59 0.01 0.00 -0.75 0.00 0.00 39.64 37.82 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 -1.40 5.10 -3.77 0.38 2.85 -0.95 -4.92 118.16 115.45 1iox n LYS 18 Ca 0.00 -4.21 -0.13 0.00 -1.05 0.00 0.00 58.31 52.92 1iox n LYS 18 Cb 0.00 -2.54 -0.11 0.00 -0.65 0.00 0.00 35.03 31.74 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 -0.69 -0.20 -0.18 2.58 0.00 -1.26 -2.24 107.32 105.33 1iox s GLY 19 Ca 0.44 0.72 -0.10 0.00 0.00 0.00 0.00 44.72 45.79 1iox s GLY 19 CO -0.11 0.59 0.14 -1.60 0.00 0.00 0.00 173.10 172.13 1iox s ARG 20 N -0.14 4.07 -0.16 2.90 3.52 0.12 -4.88 118.95 124.38 1iox s ARG 20 Ca -0.03 -0.18 -0.01 0.00 -0.13 0.00 0.00 55.73 55.38 1iox s ARG 20 Cb -0.03 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1iox s ARG 20 CO 0.01 0.38 -0.11 0.00 -0.81 0.00 0.00 175.30 174.77 1iox s ARG 22 N 0.73 3.34 -0.38 0.00 6.06 0.11 -0.76 118.95 128.04 1iox s ARG 22 Ca -0.05 -0.43 -0.17 0.00 -2.50 0.00 0.00 55.73 52.58 1iox s ARG 22 Cb -0.15 -3.91 0.01 0.00 0.06 0.00 0.00 34.95 30.96 1iox s ARG 22 CO 0.02 -0.83 0.44 0.12 -2.50 0.00 0.00 175.30 172.55 1iox s PHE 23 N 2.44 3.18 -0.34 5.12 2.19 -0.56 -1.40 117.98 128.61 1iox s PHE 23 Ca 0.18 -0.14 -0.24 0.00 0.33 0.00 0.00 56.93 57.06 1iox s PHE 23 Cb -0.16 -2.85 0.01 0.00 -1.31 0.00 0.00 43.02 38.71 1iox s PHE 23 CO 0.15 -0.59 0.80 0.08 1.83 0.00 0.00 175.22 177.49 1iox s VAL 24 N 2.19 4.74 -0.04 3.12 1.01 -0.95 -3.70 120.40 126.77 1iox s VAL 24 Ca 0.14 1.07 -0.12 0.00 0.00 0.00 0.00 61.98 63.07 1iox s VAL 24 Cb -0.16 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 1iox s VAL 24 CO 0.13 -0.36 0.53 0.58 0.00 0.00 0.00 175.10 175.98 1iox h VAL 25 N 5.69 0.00 -0.30 2.92 2.07 -1.96 -2.64 116.25 122.03 1iox h VAL 25 Ca -0.24 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1iox h VAL 25 Cb 1.09 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1iox h VAL 25 CO 0.91 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 178.31 1iox h ALA 26 N -1.21 -0.22 -2.50 1.67 0.00 -2.02 -3.09 119.26 111.90 1iox h ALA 26 Ca -0.04 0.03 -0.77 0.00 0.00 0.00 0.00 54.91 54.13 1iox h ALA 26 Cb 0.33 1.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.96 1iox h ALA 26 CO 0.07 -0.35 0.04 -2.00 0.00 0.00 0.00 179.25 177.01 1iox s GLU 27 N -3.82 3.38 -0.73 0.00 2.56 -1.26 -4.96 118.70 113.87 1iox s GLU 27 Ca -0.04 -2.13 -0.09 0.00 0.00 0.00 0.00 54.97 52.71 1iox s GLU 27 Cb 0.03 -4.41 -0.23 0.00 2.00 0.00 0.00 34.13 31.53 1iox s GLU 27 CO 0.20 -1.34 1.63 0.94 -0.56 0.00 0.00 175.26 176.13 1iox n GLN 28 N 4.64 0.00 -3.33 4.30 7.27 -1.17 -4.58 117.38 124.50 1iox n GLN 28 Ca 0.05 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.88 1iox n GLN 28 Cb 0.45 -0.79 -0.09 0.00 2.41 0.00 0.00 30.24 32.22 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 1.17 0.02 -1.01 1.69 2.01 -1.00 -4.98 115.64 113.53 1iox s THR 29 Ca 0.96 -1.94 -0.23 0.00 0.31 0.00 0.00 61.69 60.79 1iox s THR 29 Cb -0.67 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 70.89 1iox s THR 29 CO 0.40 -0.92 1.60 -2.16 -0.69 0.00 0.00 174.62 172.84 1iox s PRO 30 N 0.63 3.34 -0.07 4.92 0.04 -1.26 -2.25 135.00 140.36 1iox s PRO 30 Ca 0.26 -0.97 -0.20 0.00 0.04 0.00 0.00 61.00 60.13 1iox s PRO 30 Cb -0.06 -5.30 -0.04 0.00 0.04 0.00 0.00 34.50 29.14 1iox s PRO 30 CO -0.10 -2.53 0.56 -1.54 0.04 0.00 0.00 177.00 173.43 1iox s SER 31 N 5.70 6.84 -0.32 6.66 1.04 -0.49 -4.95 113.70 128.17 1iox s SER 31 Ca 0.53 1.00 -0.02 0.00 0.48 0.00 0.00 55.95 57.93 1iox s SER 31 Cb -0.01 -2.34 0.06 0.00 0.10 0.00 0.00 66.02 63.83 1iox s SER 31 CO -0.06 0.00 0.04 0.00 0.98 0.00 0.00 173.24 174.20 1iox s VAL 33 N 1.25 3.79 0.39 0.00 1.01 -0.28 -4.95 120.40 121.62 1iox s VAL 33 Ca -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1iox s VAL 33 Cb -0.20 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1iox s VAL 33 CO -0.01 0.50 0.59 0.00 0.00 0.00 0.00 175.10 176.18 1iox n ASP 35 N -1.90 3.53 -0.37 0.00 9.92 -0.95 -4.80 116.55 121.98 1iox n ASP 35 Ca -0.02 0.79 0.30 0.00 -0.53 0.00 0.00 54.79 55.32 1iox n ASP 35 Cb 0.57 -1.44 0.56 0.00 -0.64 0.00 0.00 41.12 40.17 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 10.80 0.20 -1.79 -1.24 3.07 -1.94 0.43 114.58 124.11 1iox h GLU 36 Ca -0.46 -0.01 -0.41 0.00 -0.50 0.00 0.00 59.36 57.98 1iox h GLU 36 Cb 1.26 -0.04 -0.15 0.00 -0.84 0.00 0.00 28.75 28.97 1iox h GLU 36 CO 0.95 0.13 0.36 0.41 -1.40 0.00 0.00 179.01 179.46 1iox n GLY 37 N -1.40 4.17 3.50 -3.84 0.00 -1.26 -4.90 105.19 101.46 1iox n GLY 37 Ca 0.34 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.60 2.05 -0.00 1.61 1.13 0.15 -1.74 117.35 118.94 1iox s TYR 38 Ca 0.47 -0.94 -0.11 0.00 -1.41 0.00 0.00 57.07 55.09 1iox s TYR 38 Cb 0.32 -1.38 0.01 0.00 -1.10 0.00 0.00 41.96 39.82 1iox s TYR 38 CO -0.12 0.07 0.23 0.42 -2.51 0.00 0.00 175.55 173.64 1iox s ILE 39 N -3.17 0.07 0.00 -3.49 1.09 -0.72 -4.73 121.20 110.25 1iox s ILE 39 Ca 0.34 -0.61 0.00 0.00 -1.10 0.00 0.00 60.65 59.28 1iox s ILE 39 Cb 0.08 -0.58 0.00 0.00 -1.06 0.00 0.00 42.46 40.90 1iox s ILE 39 CO 0.15 -0.33 0.00 0.61 -0.10 0.00 0.00 174.94 175.27 1iox n GLY 40 N 1.27 2.30 0.12 6.18 0.00 -1.26 -0.77 105.19 113.04 1iox n GLY 40 Ca -0.22 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.55 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 0.38 -0.50 4.61 0.00 -2.00 -3.33 119.26 118.41 1iox h ALA 41 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1iox h ALA 41 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1iox h ALA 41 CO 0.00 1.24 0.00 0.54 0.00 0.00 0.00 179.25 181.03 1iox n ARG 42 N -3.44 4.03 -3.50 0.00 1.74 -1.26 -4.90 116.66 109.34 1iox n ARG 42 Ca -0.24 -2.58 -0.22 0.00 -0.77 0.00 0.00 57.85 54.05 1iox n ARG 42 Cb 1.05 -2.06 0.08 0.00 -1.02 0.00 0.00 32.46 30.51 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 -4.61 0.70 -2.35 0.00 2.13 -1.24 -2.25 120.64 113.02 1iox n GLU 44 Ca -0.02 0.21 -0.27 0.00 0.66 0.00 0.00 57.16 57.73 1iox n GLU 44 Cb 0.57 -1.65 0.03 0.00 0.27 0.00 0.00 31.44 30.65 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1iox s ARG 45 N -2.55 3.01 0.05 5.31 1.81 0.05 -4.96 118.95 121.67 1iox s ARG 45 Ca -0.22 0.10 -0.03 0.00 -1.72 0.00 0.00 55.73 53.86 1iox s ARG 45 Cb 0.07 -2.25 -0.02 0.00 -0.45 0.00 0.00 34.95 32.30 1iox s ARG 45 CO 0.74 -0.67 0.04 0.54 -0.68 0.00 0.00 175.30 175.26 1iox s VAL 46 N -3.01 0.17 -0.44 3.52 0.11 -1.26 -1.76 120.40 117.73 1iox s VAL 46 Ca 0.54 -1.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.18 1iox s VAL 46 Cb -0.11 -1.19 0.52 0.00 -1.53 0.00 0.00 36.38 34.08 1iox s VAL 46 CO 0.46 -0.79 1.86 -0.67 -3.33 0.00 0.00 175.10 172.63 1iox n ASP 47 N 0.42 4.73 -3.64 3.54 2.03 -0.71 -4.74 116.55 118.17 1iox n ASP 47 Ca -0.17 -3.44 -0.17 0.00 0.52 0.00 0.00 54.79 51.53 1iox n ASP 47 Cb 0.60 -0.85 -0.15 0.00 -0.72 0.00 0.00 41.12 40.00 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 -2.96 -0.09 -0.00 -2.67 1.43 -1.26 -5.03 118.68 108.10 1iox s LEU 48 Ca 0.51 0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1iox s LEU 48 Cb 0.42 0.32 -0.00 0.00 0.03 0.00 0.00 46.19 46.95 1iox s LEU 48 CO 0.06 -0.26 0.27 -0.26 0.23 0.00 0.00 176.35 176.39 1iox h PHE 49 N 8.35 -0.01 -0.00 0.29 0.04 -2.02 -3.54 116.94 120.04 1iox h PHE 49 Ca -0.14 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1iox h PHE 49 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1iox h PHE 49 CO 0.37 -0.01 0.00 0.98 -0.60 0.00 0.00 178.31 179.05