#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 0.11 0.00 5.56 2.47 -1.26 -4.97 119.74 121.65 1iox s LYS 2 Ca 0.00 0.48 0.00 0.00 -1.56 0.00 0.00 55.97 54.89 1iox s LYS 2 Cb 0.00 -0.54 0.00 0.00 -1.46 0.00 0.00 37.83 35.83 1iox s LYS 2 CO 0.00 -0.42 0.00 0.41 0.16 0.00 0.00 175.35 175.50 1iox n GLY 3 N 5.33 0.79 2.36 5.54 0.00 -1.26 -5.09 105.19 112.85 1iox n GLY 3 Ca -0.05 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 -0.34 -0.35 1.61 1.44 -1.26 -5.10 115.22 111.22 1iox n HIS 4 Ca 0.00 -3.48 0.00 0.00 -2.01 0.00 0.00 57.72 52.23 1iox n HIS 4 Cb 0.00 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.09 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 2.25 0.00 -4.51 -1.40 3.72 -1.26 -5.06 117.46 111.20 1iox n PHE 5 Ca 0.26 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.41 1iox n PHE 5 Cb 0.49 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.92 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 3.66 0.15 4.37 0.01 -1.15 -5.01 113.70 114.73 1iox s SER 6 Ca 0.00 -1.12 0.05 0.00 1.31 0.00 0.00 55.95 56.19 1iox s SER 6 Cb 0.00 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1iox s SER 6 CO 0.00 -0.10 0.09 -0.13 0.41 0.00 0.00 173.24 173.52 1iox s ARG 7 N -3.57 2.78 -0.08 12.44 3.00 -1.26 -1.21 118.95 131.05 1iox s ARG 7 Ca 0.31 -0.90 -0.26 0.00 0.00 0.00 0.00 55.73 54.88 1iox s ARG 7 Cb -0.01 -2.59 -0.03 0.00 0.00 0.00 0.00 34.95 32.33 1iox s ARG 7 CO 0.16 0.49 0.85 0.00 0.00 0.00 0.00 175.30 176.79 1iox s PRO 9 N 1.36 2.36 0.51 0.00 0.04 -1.26 -4.78 135.00 133.23 1iox s PRO 9 Ca 0.43 0.86 0.18 0.00 0.04 0.00 0.00 61.00 62.51 1iox s PRO 9 Cb -0.18 -1.93 1.28 0.00 0.04 0.00 0.00 34.50 33.70 1iox s PRO 9 CO 0.19 -1.48 2.11 -0.22 0.04 0.00 0.00 177.00 177.64 1iox h LYS 10 N -1.00 0.00 0.00 4.56 1.63 -1.96 -1.08 116.57 118.72 1iox h LYS 10 Ca -0.45 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.32 1iox h LYS 10 Cb 1.24 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1iox h LYS 10 CO 0.57 0.06 -0.11 0.37 -3.45 0.00 0.00 179.45 176.89 1iox h GLN 11 N 0.00 0.00 -0.29 1.90 4.15 -2.03 -2.31 115.11 116.53 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 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1iox h GLN 11 CO 0.01 0.11 0.00 0.66 -1.93 0.00 0.00 178.83 177.68 1iox n TYR 12 N -3.77 0.42 -1.21 3.99 4.01 -0.48 -4.67 117.16 115.45 1iox n TYR 12 Ca -0.02 -0.52 -0.22 0.00 -0.16 0.00 0.00 57.90 56.98 1iox n TYR 12 Cb 0.21 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.31 2.13 0.05 -0.72 5.02 -0.79 -4.34 118.16 119.82 1iox n LYS 13 Ca 0.10 -1.98 0.12 0.00 -2.02 0.00 0.00 58.31 54.54 1iox n LYS 13 Cb 0.43 -1.91 0.28 0.00 -0.02 0.00 0.00 35.03 33.80 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 0.67 0.47 1.50 2.13 8.25 -1.26 -3.19 115.22 123.78 1iox n HIS 14 Ca 0.41 0.14 0.14 0.00 -0.26 0.00 0.00 57.72 58.14 1iox n HIS 14 Cb 0.58 -0.62 0.56 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.96 0.00 -3.15 4.41 0.18 -1.26 -4.69 117.16 110.68 1iox n TYR 15 Ca 0.04 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.86 1iox n TYR 15 Cb 0.41 -0.05 -0.00 0.00 -0.38 0.00 0.00 39.34 39.31 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 6.00 0.00 -2.28 0.00 2.04 -1.57 -3.32 117.51 118.38 1iox h ILE 17 Ca -0.08 -0.01 -0.80 0.00 1.00 0.00 0.00 64.86 64.97 1iox h ILE 17 Cb 1.18 0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 37.01 1iox h ILE 17 CO 0.19 0.00 1.20 2.29 0.00 0.00 0.00 178.15 181.83 1iox n LYS 18 N -2.28 4.86 -3.53 2.37 2.85 -0.95 -4.93 118.16 116.56 1iox n LYS 18 Ca -0.01 -4.39 -0.18 0.00 -1.05 0.00 0.00 58.31 52.68 1iox n LYS 18 Cb 0.03 -2.54 -0.06 0.00 -0.65 0.00 0.00 35.03 31.81 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 -1.12 -0.57 0.29 2.58 0.00 -1.25 -2.27 107.32 104.97 1iox s GLY 19 Ca 0.38 1.39 0.07 0.00 0.00 0.00 0.00 44.72 46.56 1iox s GLY 19 CO -0.03 1.02 0.24 0.50 0.00 0.00 0.00 173.10 174.82 1iox s ARG 20 N -1.08 2.85 0.06 2.90 1.81 0.94 -4.87 118.95 121.55 1iox s ARG 20 Ca -0.10 -1.15 -0.16 0.00 -1.72 0.00 0.00 55.73 52.60 1iox s ARG 20 Cb -0.00 -2.53 0.03 0.00 -0.45 0.00 0.00 34.95 31.99 1iox s ARG 20 CO 0.09 0.28 0.36 0.00 -0.68 0.00 0.00 175.30 175.35 1iox s ARG 22 N -2.87 2.10 -0.30 0.00 0.52 -0.64 -1.69 118.95 116.06 1iox s ARG 22 Ca -0.03 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.55 1iox s ARG 22 Cb 0.00 -1.80 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 1iox s ARG 22 CO -0.05 -0.06 0.19 0.12 0.02 0.00 0.00 175.30 175.52 1iox s PHE 23 N 0.98 3.21 -0.34 -0.53 2.19 -0.35 -2.09 117.98 121.05 1iox s PHE 23 Ca -0.07 -0.11 -0.26 0.00 0.33 0.00 0.00 56.93 56.82 1iox s PHE 23 Cb -0.15 -2.39 0.01 0.00 -1.31 0.00 0.00 43.02 39.18 1iox s PHE 23 CO -0.01 -0.27 0.93 0.08 1.83 0.00 0.00 175.22 177.78 1iox s VAL 24 N 1.72 4.62 -0.08 3.12 1.01 -0.92 -2.95 120.40 126.92 1iox s VAL 24 Ca 0.06 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 1iox s VAL 24 Cb -0.16 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 1iox s VAL 24 CO 0.10 -0.44 -0.03 0.58 0.00 0.00 0.00 175.10 175.31 1iox h VAL 25 N 5.73 0.00 -1.96 2.92 2.07 -1.95 -2.57 116.25 120.49 1iox h VAL 25 Ca -0.23 -0.69 0.57 0.00 0.82 0.00 0.00 66.70 67.17 1iox h VAL 25 Cb 1.08 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 1iox h VAL 25 CO 0.97 0.00 1.43 0.00 0.02 0.00 0.00 177.57 179.99 1iox h ALA 26 N -1.31 3.86 -2.78 1.67 0.00 -1.99 -2.94 119.26 115.78 1iox h ALA 26 Ca 0.00 -0.07 -0.58 0.00 0.00 0.00 0.00 54.91 54.27 1iox h ALA 26 Cb 0.08 0.15 -0.40 0.00 0.00 0.00 0.00 17.79 17.62 1iox h ALA 26 CO 0.00 -2.44 -0.80 -1.21 0.00 0.00 0.00 179.25 174.80 1iox s GLU 27 N -4.84 0.63 -0.74 0.00 2.02 -1.25 -5.05 118.70 109.47 1iox s GLU 27 Ca -0.05 -1.25 -0.09 0.00 0.02 0.00 0.00 54.97 53.60 1iox s GLU 27 Cb 0.26 -1.56 -0.24 0.00 0.10 0.00 0.00 34.13 32.70 1iox s GLU 27 CO 0.88 -1.13 1.64 1.04 0.02 0.00 0.00 175.26 177.71 1iox n GLN 28 N 4.32 0.00 -3.33 1.61 6.02 -1.11 -4.55 117.38 120.33 1iox n GLN 28 Ca 0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.89 1iox n GLN 28 Cb 0.38 -0.79 -0.07 0.00 1.02 0.00 0.00 30.24 30.79 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 0.90 -0.38 -0.27 5.09 2.01 -0.97 -4.99 115.64 117.02 1iox s THR 29 Ca 0.98 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 1iox s THR 29 Cb -0.67 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1iox s THR 29 CO 0.41 -0.54 1.16 -2.16 -0.69 0.00 0.00 174.62 172.80 1iox s PRO 30 N 1.39 4.10 -0.26 4.92 0.04 -1.26 -2.18 135.00 141.75 1iox s PRO 30 Ca 0.18 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.51 1iox s PRO 30 Cb -0.14 -3.76 0.06 0.00 0.04 0.00 0.00 34.50 30.70 1iox s PRO 30 CO -0.03 -0.86 -0.09 -1.54 0.04 0.00 0.00 177.00 174.51 1iox s SER 31 N 1.89 4.47 0.30 6.66 1.04 -0.89 -5.01 113.70 122.16 1iox s SER 31 Ca 0.49 -1.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 1iox s SER 31 Cb -0.16 -1.58 -0.05 0.00 0.10 0.00 0.00 66.02 64.33 1iox s SER 31 CO 0.15 -0.19 0.56 0.00 0.98 0.00 0.00 173.24 174.74 1iox s VAL 33 N -2.12 -0.49 0.29 0.00 1.01 0.40 -4.96 120.40 114.53 1iox s VAL 33 Ca 0.44 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 1iox s VAL 33 Cb -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1iox s VAL 33 CO 0.31 0.10 0.53 0.00 0.00 0.00 0.00 175.10 176.03 1iox n ASP 35 N -1.19 3.18 -0.34 0.00 8.00 -0.96 -4.81 116.55 120.43 1iox n ASP 35 Ca -0.03 1.04 0.20 0.00 0.71 0.00 0.00 54.79 56.71 1iox n ASP 35 Cb 0.55 -1.39 0.43 0.00 -0.02 0.00 0.00 41.12 40.69 1iox n ASP 35 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1iox h GLU 36 N 7.33 0.47 -1.54 -1.24 4.81 -1.94 0.33 114.58 122.79 1iox h GLU 36 Ca -0.47 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 58.38 1iox h GLU 36 Cb 1.27 -0.11 -0.15 0.00 0.63 0.00 0.00 28.75 30.39 1iox h GLU 36 CO 0.91 0.31 0.44 0.41 -0.73 0.00 0.00 179.01 180.35 1iox n GLY 37 N -1.33 4.22 3.78 1.92 0.00 -1.26 -4.91 105.19 107.61 1iox n GLY 37 Ca 0.28 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.91 2.17 -0.03 1.61 1.13 0.12 -2.16 117.35 118.28 1iox s TYR 38 Ca 0.36 -0.75 -0.14 0.00 -1.41 0.00 0.00 57.07 55.12 1iox s TYR 38 Cb 0.27 -1.85 0.02 0.00 -1.10 0.00 0.00 41.96 39.30 1iox s TYR 38 CO -0.02 0.05 0.31 0.42 -2.51 0.00 0.00 175.55 173.80 1iox s ILE 39 N -2.72 0.05 0.00 -3.49 -1.09 -0.54 -4.28 121.20 109.12 1iox s ILE 39 Ca 0.30 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1iox s ILE 39 Cb 0.02 -0.59 0.00 0.00 -1.58 0.00 0.00 42.46 40.31 1iox s ILE 39 CO 0.17 -0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 1iox n GLY 40 N 1.48 2.63 0.16 6.18 0.00 -1.26 -0.93 105.19 113.46 1iox n GLY 40 Ca -0.20 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.75 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 0.17 -0.45 4.61 0.00 -2.00 -3.17 119.26 118.41 1iox h ALA 41 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1iox h ALA 41 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1iox h ALA 41 CO 0.00 0.77 0.00 0.54 0.00 0.00 0.00 179.25 180.56 1iox n ARG 42 N -3.75 2.11 -3.08 0.00 1.74 -1.26 -4.92 116.66 107.50 1iox n ARG 42 Ca -0.10 -1.72 -0.13 0.00 -0.77 0.00 0.00 57.85 55.12 1iox n ARG 42 Cb 0.92 -1.39 0.05 0.00 -1.02 0.00 0.00 32.46 31.02 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 -3.21 0.68 -2.58 0.00 2.13 -1.21 -2.23 120.64 114.22 1iox n GLU 44 Ca -0.06 0.14 -0.19 0.00 0.66 0.00 0.00 57.16 57.71 1iox n GLU 44 Cb 0.56 -1.61 0.08 0.00 0.27 0.00 0.00 31.44 30.74 1iox n GLU 44 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1iox n ARG 45 N -3.08 0.35 -3.83 5.31 1.74 -0.10 -4.97 116.66 112.08 1iox n ARG 45 Ca -0.33 -2.62 -0.10 0.00 -0.77 0.00 0.00 57.85 54.03 1iox n ARG 45 Cb 1.07 -0.38 -0.07 0.00 -1.02 0.00 0.00 32.46 32.06 1iox n ARG 45 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1iox s VAL 46 N -2.43 0.12 -0.75 1.55 0.11 -1.26 -1.47 120.40 116.26 1iox s VAL 46 Ca 0.56 -0.97 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1iox s VAL 46 Cb -0.04 -1.12 0.36 0.00 -1.53 0.00 0.00 36.38 34.05 1iox s VAL 46 CO 0.36 -0.54 1.58 -0.67 -3.33 0.00 0.00 175.10 172.51 1iox n ASP 47 N 0.29 6.32 -1.43 3.54 -0.08 -0.92 -4.64 116.55 119.63 1iox n ASP 47 Ca -0.17 -3.75 0.00 0.00 -1.51 0.00 0.00 54.79 49.36 1iox n ASP 47 Cb 0.61 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 43.20 1iox n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1iox n LEU 48 N -0.35 0.00 0.11 -2.67 7.99 -1.26 -4.92 117.00 115.90 1iox n LEU 48 Ca 0.45 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.52 1iox n LEU 48 Cb 0.36 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.68 1iox n LEU 48 CO 0.44 -0.12 0.13 -0.26 -1.51 0.00 0.00 177.39 176.07 1iox h PHE 49 N 0.48 0.00 0.00 -1.77 0.04 -2.00 -3.54 116.94 110.14 1iox h PHE 49 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1iox h PHE 49 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1iox h PHE 49 CO 0.00 0.24 0.00 0.98 -0.60 0.00 0.00 178.31 178.93