#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 0.17 0.00 5.56 4.76 -1.26 -5.06 118.16 122.33 1iox n LYS 2 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1iox n LYS 2 Cb 0.00 -0.78 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iox n GLY 3 N 2.51 1.73 2.78 0.72 0.00 -1.26 -4.95 105.19 106.72 1iox n GLY 3 Ca -0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 1iox n GLY 3 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iox n HIS 4 N 0.00 -3.37 -1.96 1.61 8.25 -1.26 -5.05 115.22 113.45 1iox n HIS 4 Ca 0.00 1.67 0.00 0.00 -0.26 0.00 0.00 57.72 59.13 1iox n HIS 4 Cb 0.00 -3.41 0.00 0.00 1.12 0.00 0.00 29.99 27.70 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 1.19 0.00 -4.48 4.41 3.72 -1.26 -4.96 117.46 116.08 1iox n PHE 5 Ca -0.12 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.99 1iox n PHE 5 Cb 0.25 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.59 2.55 -0.27 4.37 0.01 -1.10 -5.01 113.70 114.84 1iox s SER 6 Ca 0.00 -0.46 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 1iox s SER 6 Cb 0.00 -1.15 0.01 0.00 0.21 0.00 0.00 66.02 65.09 1iox s SER 6 CO 0.00 0.02 0.94 -0.13 0.41 0.00 0.00 173.24 174.48 1iox s ARG 7 N 0.97 4.14 0.08 12.44 1.81 -1.26 -1.99 118.95 135.14 1iox s ARG 7 Ca -0.06 1.03 -0.31 0.00 -1.72 0.00 0.00 55.73 54.67 1iox s ARG 7 Cb -0.15 -3.68 -0.09 0.00 -0.45 0.00 0.00 34.95 30.58 1iox s ARG 7 CO -0.02 -0.66 1.74 0.00 -0.68 0.00 0.00 175.30 175.68 1iox s PRO 9 N 2.92 2.38 0.61 0.00 0.04 -1.26 -4.62 135.00 135.07 1iox s PRO 9 Ca 0.78 1.00 0.28 0.00 0.04 0.00 0.00 61.00 63.10 1iox s PRO 9 Cb -0.42 -1.92 1.44 0.00 0.04 0.00 0.00 34.50 33.64 1iox s PRO 9 CO 0.34 -1.51 1.84 -0.22 0.04 0.00 0.00 177.00 177.50 1iox h LYS 10 N -1.02 0.00 -0.46 4.56 3.64 -1.96 -0.17 116.57 121.16 1iox h LYS 10 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1iox h LYS 10 Cb 1.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1iox h LYS 10 CO 0.54 0.00 0.29 0.37 -2.27 0.00 0.00 179.45 178.39 1iox h GLN 11 N 0.00 0.61 -0.54 1.90 4.15 -2.01 -2.14 115.11 117.08 1iox h GLN 11 Ca 0.16 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1iox h GLN 11 Cb 1.16 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.71 1iox h GLN 11 CO -0.00 0.42 0.00 0.66 -1.93 0.00 0.00 178.83 177.98 1iox n TYR 12 N -4.75 0.76 -1.05 3.99 4.01 -0.11 -4.47 117.16 115.54 1iox n TYR 12 Ca 0.02 -0.37 -0.15 0.00 -0.16 0.00 0.00 57.90 57.24 1iox n TYR 12 Cb 0.03 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.03 1.93 0.06 -0.72 5.02 -0.80 -4.27 118.16 120.40 1iox n LYS 13 Ca 0.18 -1.35 0.12 0.00 -2.02 0.00 0.00 58.31 55.24 1iox n LYS 13 Cb 0.48 -1.81 0.26 0.00 -0.02 0.00 0.00 35.03 33.93 1iox n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1iox n HIS 14 N 1.46 0.53 1.23 2.13 8.25 -1.26 -3.16 115.22 124.40 1iox n HIS 14 Ca 0.36 0.15 0.13 0.00 -0.26 0.00 0.00 57.72 58.10 1iox n HIS 14 Cb 0.68 -0.66 0.36 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.03 0.00 -3.67 4.41 0.18 -1.26 -4.85 117.16 109.94 1iox n TYR 15 Ca 0.04 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.72 1iox n TYR 15 Cb 0.42 -0.12 -0.09 0.00 -0.38 0.00 0.00 39.34 39.17 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 3.90 0.00 -3.00 0.00 2.08 -0.89 -4.51 119.36 116.94 1iox n ILE 17 Ca -0.20 0.41 -0.41 0.00 0.56 0.00 0.00 62.75 63.11 1iox n ILE 17 Cb 0.57 -1.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.24 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 -1.73 4.41 -3.58 0.38 2.85 -0.83 -4.97 118.16 114.70 1iox n LYS 18 Ca 0.00 -4.58 -0.11 0.00 -1.05 0.00 0.00 58.31 52.57 1iox n LYS 18 Cb 0.00 -2.48 -0.04 0.00 -0.65 0.00 0.00 35.03 31.85 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 -1.85 -0.37 -0.06 2.58 0.00 -1.26 -2.25 107.32 104.12 1iox s GLY 19 Ca 0.33 0.15 0.01 0.00 0.00 0.00 0.00 44.72 45.20 1iox s GLY 19 CO 0.08 -0.13 -0.07 0.50 0.00 0.00 0.00 173.10 173.48 1iox s ARG 20 N -3.63 2.72 -0.05 2.90 3.00 0.16 -4.89 118.95 119.17 1iox s ARG 20 Ca 0.01 -0.57 0.05 0.00 0.00 0.00 0.00 55.73 55.22 1iox s ARG 20 Cb 0.01 -2.58 -0.02 0.00 0.00 0.00 0.00 34.95 32.36 1iox s ARG 20 CO -0.11 0.66 -0.18 0.00 0.00 0.00 0.00 175.30 175.66 1iox s ARG 22 N -0.50 2.38 -0.38 0.00 0.52 -0.02 -2.01 118.95 118.93 1iox s ARG 22 Ca 0.06 -1.55 -0.18 0.00 -0.52 0.00 0.00 55.73 53.54 1iox s ARG 22 Cb -0.12 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 31.74 1iox s ARG 22 CO 0.01 -0.94 0.49 0.12 0.02 0.00 0.00 175.30 174.99 1iox s PHE 23 N 1.30 3.17 -0.22 -0.53 2.19 -0.84 -1.90 117.98 121.14 1iox s PHE 23 Ca 0.03 -0.02 -0.24 0.00 0.33 0.00 0.00 56.93 57.03 1iox s PHE 23 Cb -0.22 -2.93 -0.01 0.00 -1.31 0.00 0.00 43.02 38.54 1iox s PHE 23 CO -0.01 -0.60 0.77 0.08 1.83 0.00 0.00 175.22 177.29 1iox s VAL 24 N 2.32 4.90 -0.04 3.12 1.01 -0.95 -2.73 120.40 128.03 1iox s VAL 24 Ca 0.16 1.46 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 1iox s VAL 24 Cb -0.16 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1iox s VAL 24 CO 0.14 -0.01 0.37 0.58 0.00 0.00 0.00 175.10 176.18 1iox h VAL 25 N 5.33 0.00 -0.26 2.92 2.07 -1.93 -2.60 116.25 121.78 1iox h VAL 25 Ca -0.26 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.72 1iox h VAL 25 Cb 1.11 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1iox h VAL 25 CO 0.83 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 178.25 1iox h ALA 26 N -1.32 -0.23 -2.52 1.67 0.00 -1.97 -3.07 119.26 111.83 1iox h ALA 26 Ca -0.03 0.03 -0.76 0.00 0.00 0.00 0.00 54.91 54.15 1iox h ALA 26 Cb 0.20 1.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.81 1iox h ALA 26 CO 0.04 -0.34 0.17 -1.21 0.00 0.00 0.00 179.25 177.91 1iox s GLU 27 N -3.77 3.48 -0.68 0.00 2.02 -1.26 -4.96 118.70 113.54 1iox s GLU 27 Ca -0.04 -2.17 -0.09 0.00 0.02 0.00 0.00 54.97 52.69 1iox s GLU 27 Cb 0.03 -4.47 -0.21 0.00 0.10 0.00 0.00 34.13 29.57 1iox s GLU 27 CO 0.19 -1.39 1.55 1.04 0.02 0.00 0.00 175.26 176.66 1iox n GLN 28 N 4.72 0.00 -3.46 1.61 6.02 -1.16 -4.55 117.38 120.56 1iox n GLN 28 Ca 0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.82 1iox n GLN 28 Cb 0.46 -0.76 -0.10 0.00 1.02 0.00 0.00 30.24 30.86 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 1.34 0.65 -1.15 5.09 2.01 -0.98 -4.96 115.64 117.63 1iox s THR 29 Ca 0.90 -2.78 -0.22 0.00 0.31 0.00 0.00 61.69 59.91 1iox s THR 29 Cb -0.64 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1iox s THR 29 CO 0.38 -1.19 1.81 -2.16 -0.69 0.00 0.00 174.62 172.76 1iox s PRO 30 N -0.05 3.14 0.16 4.92 0.04 -1.26 -2.23 135.00 139.72 1iox s PRO 30 Ca 0.31 -1.29 -0.14 0.00 0.04 0.00 0.00 61.00 59.92 1iox s PRO 30 Cb 0.01 -5.33 -0.07 0.00 0.04 0.00 0.00 34.50 29.15 1iox s PRO 30 CO -0.18 -3.09 0.56 0.45 0.04 0.00 0.00 177.00 174.78 1iox s SER 31 N 5.80 6.80 0.06 6.66 0.15 -0.80 -4.96 113.70 127.41 1iox s SER 31 Ca 0.61 1.07 0.09 0.00 0.70 0.00 0.00 55.95 58.42 1iox s SER 31 Cb -0.00 -2.28 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1iox s SER 31 CO 0.06 0.07 -0.25 0.00 1.20 0.00 0.00 173.24 174.32 1iox s VAL 33 N -0.88 0.13 0.19 0.00 1.01 0.51 -4.94 120.40 116.41 1iox s VAL 33 Ca 0.13 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1iox s VAL 33 Cb -0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1iox s VAL 33 CO 0.04 -0.57 -0.17 0.00 0.00 0.00 0.00 175.10 174.40 1iox n ASP 35 N -0.05 2.89 -0.39 0.00 9.92 -0.95 -4.77 116.55 123.18 1iox n ASP 35 Ca -0.10 0.93 0.32 0.00 -0.53 0.00 0.00 54.79 55.41 1iox n ASP 35 Cb 0.59 -1.27 0.59 0.00 -0.64 0.00 0.00 41.12 40.39 1iox n ASP 35 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1iox h GLU 36 N 8.94 0.16 -1.79 -1.24 4.57 -1.97 0.45 114.58 123.69 1iox h GLU 36 Ca -0.45 -0.01 -0.42 0.00 -1.18 0.00 0.00 59.36 57.30 1iox h GLU 36 Cb 1.30 -0.03 -0.16 0.00 -0.16 0.00 0.00 28.75 29.69 1iox h GLU 36 CO 0.96 0.10 0.38 0.41 -1.18 0.00 0.00 179.01 179.69 1iox n GLY 37 N -1.44 4.24 3.38 1.92 0.00 -1.26 -4.90 105.19 107.13 1iox n GLY 37 Ca 0.35 -1.56 -0.20 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 -1.70 1.86 0.06 1.61 1.13 0.16 -1.89 117.35 118.57 1iox s TYR 38 Ca 0.48 -0.55 -0.04 0.00 -1.41 0.00 0.00 57.07 55.55 1iox s TYR 38 Cb 0.33 -0.89 -0.02 0.00 -1.10 0.00 0.00 41.96 40.27 1iox s TYR 38 CO -0.13 0.41 0.06 0.42 -2.51 0.00 0.00 175.55 173.80 1iox s ILE 39 N -2.89 0.18 0.00 -3.49 -1.09 -0.77 -4.68 121.20 108.45 1iox s ILE 39 Ca 0.25 -1.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 1iox s ILE 39 Cb -0.01 -1.29 0.00 0.00 -1.58 0.00 0.00 42.46 39.59 1iox s ILE 39 CO 0.09 -0.80 0.00 0.61 -1.23 0.00 0.00 174.94 173.61 1iox n GLY 40 N 0.26 1.42 0.11 6.18 0.00 -1.26 -0.91 105.19 111.00 1iox n GLY 40 Ca -0.16 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.48 1iox n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iox n ALA 41 N -0.01 0.82 0.14 4.61 0.00 -1.26 -4.13 120.51 120.69 1iox n ALA 41 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 53.44 52.94 1iox n ALA 41 Cb 0.00 -0.56 0.20 0.00 0.00 0.00 0.00 19.45 19.09 1iox n ALA 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1iox n ARG 42 N -4.21 2.84 -3.25 0.00 0.63 -1.26 -4.87 116.66 106.55 1iox n ARG 42 Ca -0.33 -1.56 -0.20 0.00 -0.92 0.00 0.00 57.85 54.83 1iox n ARG 42 Cb 0.77 -1.82 0.05 0.00 0.45 0.00 0.00 32.46 31.92 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iox n GLU 44 N -4.11 0.24 -3.29 0.00 0.28 -1.25 -1.97 120.64 110.55 1iox n GLU 44 Ca -0.03 -0.06 -0.19 0.00 -0.16 0.00 0.00 57.16 56.72 1iox n GLU 44 Cb 0.57 -1.53 -0.01 0.00 1.43 0.00 0.00 31.44 31.91 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 -3.18 2.69 0.01 3.44 3.00 -0.08 -5.00 118.95 119.81 1iox s ARG 45 Ca 0.03 -1.38 -0.13 0.00 -1.00 0.00 0.00 55.73 53.25 1iox s ARG 45 Cb 0.15 -2.57 0.02 0.00 0.00 0.00 0.00 34.95 32.55 1iox s ARG 45 CO 0.86 -0.23 0.26 0.54 0.00 0.00 0.00 175.30 176.73 1iox s VAL 46 N -2.41 0.07 -0.74 7.11 0.11 -1.26 -1.85 120.40 121.44 1iox s VAL 46 Ca 0.52 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.99 1iox s VAL 46 Cb -0.07 -0.69 0.25 0.00 -1.53 0.00 0.00 36.38 34.35 1iox s VAL 46 CO 0.30 -0.34 0.87 -0.67 -3.33 0.00 0.00 175.10 171.94 1iox n ASP 47 N 1.09 4.24 -4.16 3.54 2.03 -0.79 -4.70 116.55 117.80 1iox n ASP 47 Ca -0.21 -3.41 -0.34 0.00 0.52 0.00 0.00 54.79 51.35 1iox n ASP 47 Cb 0.57 -0.81 -0.14 0.00 -0.72 0.00 0.00 41.12 40.02 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 -2.41 3.76 0.50 -2.67 2.01 -1.26 -4.86 118.68 113.75 1iox s LEU 48 Ca 0.36 -1.25 0.28 0.00 0.01 0.00 0.00 54.13 53.54 1iox s LEU 48 Cb 0.10 -1.68 1.53 0.00 0.01 0.00 0.00 46.19 46.15 1iox s LEU 48 CO -0.01 -0.24 1.84 -0.26 1.01 0.00 0.00 176.35 178.70 1iox h PHE 49 N 7.97 0.00 0.00 0.29 -1.00 -2.00 -3.55 116.94 118.65 1iox h PHE 49 Ca -0.22 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.56 1iox h PHE 49 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1iox h PHE 49 CO 0.62 0.00 0.00 0.98 -1.61 0.00 0.00 178.31 178.30