#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 -0.44 5.56 4.81 -1.26 -5.17 118.16 121.66 1iox n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1iox n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 0.61 3.06 3.14 0.00 -1.26 -5.10 105.19 105.64 1iox n GLY 3 Ca 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.18 1iox n GLY 3 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iox s HIS 4 N -1.20 -0.99 0.00 1.61 2.46 -1.26 -5.16 115.29 110.75 1iox s HIS 4 Ca 0.00 0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.92 1iox s HIS 4 Cb 0.00 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.63 1iox s HIS 4 CO 0.00 -0.62 0.00 1.19 -2.47 0.00 0.00 174.74 172.84 1iox n PHE 5 N 4.67 0.00 -4.02 3.88 3.72 -1.26 -5.00 117.46 119.45 1iox n PHE 5 Ca 0.08 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.30 1iox n PHE 5 Cb 0.58 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.96 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 0.74 0.58 -0.16 4.37 0.01 -1.21 -5.05 113.70 112.98 1iox s SER 6 Ca 0.00 -0.06 -0.25 0.00 1.31 0.00 0.00 55.95 56.95 1iox s SER 6 Cb 0.00 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 1iox s SER 6 CO 0.00 -0.08 0.82 -0.13 0.41 0.00 0.00 173.24 174.26 1iox s ARG 7 N 0.91 4.31 0.11 12.44 0.52 -1.26 -2.13 118.95 133.85 1iox s ARG 7 Ca -0.10 1.00 -0.35 0.00 -0.52 0.00 0.00 55.73 55.76 1iox s ARG 7 Cb -0.13 -3.56 -0.15 0.00 0.52 0.00 0.00 34.95 31.63 1iox s ARG 7 CO -0.01 -0.29 1.50 0.00 0.02 0.00 0.00 175.30 176.53 1iox s PRO 9 N 0.95 3.11 0.59 0.00 0.04 -1.26 -4.77 135.00 133.66 1iox s PRO 9 Ca 0.82 1.21 0.30 0.00 0.04 0.00 0.00 61.00 63.37 1iox s PRO 9 Cb -0.80 -2.00 1.85 0.00 0.04 0.00 0.00 34.50 33.59 1iox s PRO 9 CO 0.43 -0.98 2.26 0.87 0.04 0.00 0.00 177.00 179.62 1iox h LYS 10 N 0.13 0.00 -0.25 4.56 6.56 -1.96 -1.21 116.57 124.40 1iox h LYS 10 Ca -0.46 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.09 1iox h LYS 10 Cb 1.22 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 1iox h LYS 10 CO 0.56 0.00 -0.01 0.37 -2.06 0.00 0.00 179.45 178.31 1iox h GLN 11 N 0.00 0.37 -0.61 3.15 4.15 -2.01 -2.17 115.11 117.99 1iox h GLN 11 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1iox h GLN 11 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1iox h GLN 11 CO -0.00 0.41 0.00 0.66 -1.93 0.00 0.00 178.83 177.97 1iox n TYR 12 N -4.33 0.85 -1.10 3.99 4.01 -0.50 -4.55 117.16 115.54 1iox n TYR 12 Ca 0.01 -0.51 -0.20 0.00 -0.16 0.00 0.00 57.90 57.03 1iox n TYR 12 Cb 0.21 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.22 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 1.26 2.02 0.06 -0.72 4.81 -0.82 -4.30 118.16 120.47 1iox n LYS 13 Ca 0.21 -1.86 0.12 0.00 -0.87 0.00 0.00 58.31 55.91 1iox n LYS 13 Cb 0.58 -1.81 0.27 0.00 0.02 0.00 0.00 35.03 34.09 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 0.51 0.50 1.29 5.64 8.25 -1.26 -3.18 115.22 126.97 1iox n HIS 14 Ca 0.37 0.15 0.12 0.00 -0.26 0.00 0.00 57.72 58.10 1iox n HIS 14 Cb 0.58 -0.64 0.42 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.00 0.14 -3.65 4.41 0.18 -1.26 -4.81 117.16 110.16 1iox n TYR 15 Ca 0.04 -0.07 -0.06 0.00 1.88 0.00 0.00 57.90 59.70 1iox n TYR 15 Cb 0.41 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.30 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 4.81 0.00 -1.83 0.00 2.08 -0.94 -4.47 119.36 119.01 1iox n ILE 17 Ca -0.16 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.78 1iox n ILE 17 Cb 0.54 -0.14 -0.02 0.00 -0.75 0.00 0.00 39.64 39.27 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 -0.54 4.00 -3.79 0.38 2.85 -0.96 -4.89 118.16 115.22 1iox n LYS 18 Ca 0.00 -3.10 -0.09 0.00 -1.05 0.00 0.00 58.31 54.07 1iox n LYS 18 Cb 0.00 -2.51 -0.06 0.00 -0.65 0.00 0.00 35.03 31.80 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 0.48 -0.02 -0.04 2.58 0.00 -1.26 -2.24 107.32 106.82 1iox s GLY 19 Ca 0.56 -0.45 0.05 0.00 0.00 0.00 0.00 44.72 44.89 1iox s GLY 19 CO -0.12 -0.65 -0.20 1.09 0.00 0.00 0.00 173.10 173.22 1iox s ARG 20 N -3.84 2.39 -0.09 2.90 1.70 0.16 -4.89 118.95 117.28 1iox s ARG 20 Ca 0.04 -0.80 0.02 0.00 -0.47 0.00 0.00 55.73 54.52 1iox s ARG 20 Cb 0.04 -2.24 -0.02 0.00 -0.57 0.00 0.00 34.95 32.16 1iox s ARG 20 CO -0.11 0.56 -0.14 0.00 -1.08 0.00 0.00 175.30 174.53 1iox s ARG 22 N -0.22 4.08 -0.31 0.00 3.52 0.19 -1.75 118.95 124.46 1iox s ARG 22 Ca 0.01 -0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.46 1iox s ARG 22 Cb -0.13 -3.56 0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1iox s ARG 22 CO 0.03 -0.03 0.04 0.12 -0.81 0.00 0.00 175.30 174.65 1iox s PHE 23 N 1.31 3.23 -0.21 5.12 2.19 -0.90 -1.39 117.98 127.34 1iox s PHE 23 Ca 0.11 -1.59 -0.20 0.00 0.33 0.00 0.00 56.93 55.59 1iox s PHE 23 Cb -0.14 -2.18 -0.03 0.00 -1.31 0.00 0.00 43.02 39.36 1iox s PHE 23 CO 0.07 -0.75 0.59 0.08 1.83 0.00 0.00 175.22 177.04 1iox s VAL 24 N 1.34 5.04 -0.13 3.12 1.01 -0.97 -3.30 120.40 126.51 1iox s VAL 24 Ca -0.03 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.94 1iox s VAL 24 Cb -0.19 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1iox s VAL 24 CO 0.01 0.12 0.18 0.58 0.00 0.00 0.00 175.10 175.98 1iox h VAL 25 N 5.21 0.55 -1.89 2.92 2.07 -1.94 -2.60 116.25 120.56 1iox h VAL 25 Ca -0.31 -1.47 0.55 0.00 0.82 0.00 0.00 66.70 66.29 1iox h VAL 25 Cb 1.14 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.93 1iox h VAL 25 CO 0.76 0.19 1.38 0.00 0.02 0.00 0.00 177.57 179.92 1iox h ALA 26 N -0.69 3.80 -2.60 1.67 0.00 -1.96 -3.08 119.26 116.40 1iox h ALA 26 Ca -0.04 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 54.30 1iox h ALA 26 Cb 0.49 0.14 -0.38 0.00 0.00 0.00 0.00 17.79 18.04 1iox h ALA 26 CO -0.02 -2.36 -0.78 -1.21 0.00 0.00 0.00 179.25 174.89 1iox s GLU 27 N -4.85 0.34 -0.68 0.00 2.02 -1.25 -5.06 118.70 109.22 1iox s GLU 27 Ca -0.05 -0.73 -0.07 0.00 0.02 0.00 0.00 54.97 54.14 1iox s GLU 27 Cb 0.26 -1.11 -0.23 0.00 0.10 0.00 0.00 34.13 33.16 1iox s GLU 27 CO 0.87 -1.09 1.48 1.04 0.02 0.00 0.00 175.26 177.59 1iox n GLN 28 N 4.85 0.00 -3.40 1.61 6.02 -1.17 -4.53 117.38 120.76 1iox n GLN 28 Ca 0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.73 1iox n GLN 28 Cb 0.41 -0.70 -0.10 0.00 1.02 0.00 0.00 30.24 30.87 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 0.36 0.23 -1.17 5.09 2.01 -0.98 -4.98 115.64 116.19 1iox s THR 29 Ca 0.90 -2.30 -0.19 0.00 0.31 0.00 0.00 61.69 60.41 1iox s THR 29 Cb -0.59 -1.17 0.09 0.00 0.01 0.00 0.00 72.50 70.83 1iox s THR 29 CO 0.38 -1.12 1.55 -2.16 -0.69 0.00 0.00 174.62 172.58 1iox s PRO 30 N 0.41 3.85 -0.03 4.92 0.04 -1.26 -2.30 135.00 140.63 1iox s PRO 30 Ca 0.28 -1.82 -0.20 0.00 0.04 0.00 0.00 61.00 59.31 1iox s PRO 30 Cb -0.04 -5.36 -0.05 0.00 0.04 0.00 0.00 34.50 29.09 1iox s PRO 30 CO -0.13 -2.12 0.56 0.45 0.04 0.00 0.00 177.00 175.79 1iox s SER 31 N 4.17 6.89 -0.17 6.66 0.15 -0.48 -4.96 113.70 125.96 1iox s SER 31 Ca 0.48 1.07 -0.08 0.00 0.70 0.00 0.00 55.95 58.11 1iox s SER 31 Cb 0.01 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1iox s SER 31 CO -0.00 0.09 0.10 0.00 1.20 0.00 0.00 173.24 174.63 1iox s VAL 33 N 0.04 1.53 0.27 0.00 1.01 0.27 -4.95 120.40 118.57 1iox s VAL 33 Ca 0.08 -1.55 0.09 0.00 0.00 0.00 0.00 61.98 60.59 1iox s VAL 33 Cb -0.12 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1iox s VAL 33 CO 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 175.10 174.79 1iox n ASP 35 N -0.56 3.81 -0.35 0.00 8.00 -0.95 -4.78 116.55 121.72 1iox n ASP 35 Ca -0.06 0.95 0.27 0.00 0.71 0.00 0.00 54.79 56.65 1iox n ASP 35 Cb 0.62 -1.46 0.52 0.00 -0.02 0.00 0.00 41.12 40.77 1iox n ASP 35 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1iox h GLU 36 N 9.60 0.26 -1.80 -1.24 3.07 -1.98 0.40 114.58 122.90 1iox h GLU 36 Ca -0.49 -0.02 -0.43 0.00 -0.50 0.00 0.00 59.36 57.93 1iox h GLU 36 Cb 1.25 -0.06 -0.16 0.00 -0.84 0.00 0.00 28.75 28.94 1iox h GLU 36 CO 0.94 0.17 0.38 0.41 -1.40 0.00 0.00 179.01 179.52 1iox n GLY 37 N -1.35 4.24 3.44 -3.84 0.00 -1.26 -4.90 105.19 101.52 1iox n GLY 37 Ca 0.33 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.70 2.03 0.09 1.61 1.13 0.14 -2.00 117.35 118.65 1iox s TYR 38 Ca 0.49 -0.62 0.01 0.00 -1.41 0.00 0.00 57.07 55.53 1iox s TYR 38 Cb 0.33 -1.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.03 1iox s TYR 38 CO -0.13 0.38 -0.04 0.42 -2.51 0.00 0.00 175.55 173.66 1iox s ILE 39 N -2.90 0.50 0.00 -3.49 1.01 -0.76 -4.77 121.20 110.80 1iox s ILE 39 Ca 0.29 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 59.05 1iox s ILE 39 Cb 0.02 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1iox s ILE 39 CO 0.12 -0.88 0.00 0.61 0.00 0.00 0.00 174.94 174.79 1iox n GLY 40 N -0.00 1.27 0.11 6.18 0.00 -1.26 -1.48 105.19 110.00 1iox n GLY 40 Ca -0.12 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 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 0.49 -0.32 4.61 0.00 -1.99 -3.33 119.26 118.72 1iox h ALA 41 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 1iox h ALA 41 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1iox h ALA 41 CO 0.00 1.34 0.00 0.54 0.00 0.00 0.00 179.25 181.13 1iox n ARG 42 N -3.35 1.93 -2.94 0.00 1.74 -1.26 -4.91 116.66 107.87 1iox n ARG 42 Ca -0.23 -1.43 -0.11 0.00 -0.77 0.00 0.00 57.85 55.31 1iox n ARG 42 Cb 1.05 -1.37 0.05 0.00 -1.02 0.00 0.00 32.46 31.16 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 -2.81 0.70 -2.97 0.00 4.07 -1.22 -2.27 120.64 116.14 1iox n GLU 44 Ca -0.07 -0.09 -0.24 0.00 -0.06 0.00 0.00 57.16 56.70 1iox n GLU 44 Cb 0.56 -1.51 0.01 0.00 -0.06 0.00 0.00 31.44 30.44 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1iox s ARG 45 N -2.93 3.15 0.00 5.31 1.81 -0.55 -4.98 118.95 120.77 1iox s ARG 45 Ca -0.09 -0.38 -0.02 0.00 -1.72 0.00 0.00 55.73 53.52 1iox s ARG 45 Cb 0.09 -2.54 -0.01 0.00 -0.45 0.00 0.00 34.95 32.05 1iox s ARG 45 CO 0.85 -0.24 0.03 0.54 -0.68 0.00 0.00 175.30 175.81 1iox s VAL 46 N -2.57 0.07 -0.60 3.52 0.11 -1.26 -1.82 120.40 117.84 1iox s VAL 46 Ca 0.47 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 1iox s VAL 46 Cb -0.10 -0.24 0.39 0.00 -1.53 0.00 0.00 36.38 34.90 1iox s VAL 46 CO 0.39 -0.31 1.48 -0.67 -3.33 0.00 0.00 175.10 172.66 1iox n ASP 47 N 2.05 5.86 -0.08 3.54 2.03 -0.85 -4.70 116.55 124.39 1iox n ASP 47 Ca -0.20 -3.77 -0.15 0.00 0.52 0.00 0.00 54.79 51.19 1iox n ASP 47 Cb 0.57 -0.71 -0.05 0.00 -0.72 0.00 0.00 41.12 40.21 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 -0.51 1.57 0.19 -2.67 0.00 -1.26 -4.76 117.00 109.56 1iox n LEU 48 Ca 0.45 0.26 -0.09 0.00 0.00 0.00 0.00 56.01 56.64 1iox n LEU 48 Cb 0.49 -0.62 -0.04 0.00 0.00 0.00 0.00 43.42 43.25 1iox n LEU 48 CO 0.40 0.05 0.51 -0.26 0.00 0.00 0.00 177.39 178.10 1iox h PHE 49 N -0.73 -0.58 0.00 1.96 0.04 -1.99 -3.55 116.94 112.08 1iox h PHE 49 Ca -0.28 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1iox h PHE 49 Cb 1.12 0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.48 1iox h PHE 49 CO -0.18 -0.32 0.00 0.66 -0.60 0.00 0.00 178.31 177.87