#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 -0.42 -0.14 4.76 -1.26 -3.19 118.16 117.91 1iox n LYS 2 Ca 0.00 0.44 0.38 0.00 -2.87 0.00 0.00 58.31 56.27 1iox n LYS 2 Cb 0.00 -1.22 0.74 0.00 -1.84 0.00 0.00 35.03 32.71 1iox n LYS 2 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1iox h GLY 3 N 0.00 0.22 -4.95 0.72 0.00 -2.09 -3.45 103.07 93.51 1iox h GLY 3 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1iox h GLY 3 CO 0.00 -0.04 -0.26 1.57 0.00 0.00 0.00 176.54 177.81 1iox n HIS 4 N -4.20 -2.78 -1.81 5.60 -0.00 -1.19 -5.06 115.22 105.77 1iox n HIS 4 Ca 0.31 1.10 0.00 0.00 0.46 0.00 0.00 57.72 59.59 1iox n HIS 4 Cb 1.41 -3.70 0.00 0.00 -0.12 0.00 0.00 29.99 27.58 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1iox n PHE 5 N -0.85 0.00 -3.75 1.57 3.72 -1.26 -5.03 117.46 111.87 1iox n PHE 5 Ca 0.06 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.33 1iox n PHE 5 Cb 0.43 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.87 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 -0.05 -0.38 0.63 4.37 0.01 -1.26 -5.06 113.70 111.97 1iox s SER 6 Ca 0.00 0.73 -0.11 0.00 1.31 0.00 0.00 55.95 57.87 1iox s SER 6 Cb 0.00 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 66.92 1iox s SER 6 CO 0.00 -0.13 1.04 0.00 0.41 0.00 0.00 173.24 174.56 1iox s ARG 7 N 0.24 3.53 0.14 12.44 1.70 -1.26 -2.09 118.95 133.65 1iox s ARG 7 Ca -0.00 0.72 -0.20 0.00 -0.47 0.00 0.00 55.73 55.78 1iox s ARG 7 Cb -0.03 -2.07 -0.07 0.00 -0.57 0.00 0.00 34.95 32.20 1iox s ARG 7 CO -0.00 -0.61 0.66 0.00 -1.08 0.00 0.00 175.30 174.27 1iox s PRO 9 N -1.43 3.00 0.52 0.00 0.04 -1.26 -4.79 135.00 131.08 1iox s PRO 9 Ca 0.35 1.20 0.20 0.00 0.04 0.00 0.00 61.00 62.79 1iox s PRO 9 Cb -0.19 -1.99 1.30 0.00 0.04 0.00 0.00 34.50 33.66 1iox s PRO 9 CO 0.21 -1.06 2.07 -0.22 0.04 0.00 0.00 177.00 178.04 1iox h LYS 10 N -0.05 0.03 -0.46 4.56 1.63 -1.96 -0.73 116.57 119.59 1iox h LYS 10 Ca -0.46 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 1iox h LYS 10 Cb 1.23 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 1iox h LYS 10 CO 0.56 0.02 0.17 1.96 -3.45 0.00 0.00 179.45 178.71 1iox h GLN 11 N 0.03 0.66 -0.04 1.90 7.50 -2.02 -1.91 115.11 121.23 1iox h GLN 11 Ca 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1iox h GLN 11 Cb 0.47 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.88 1iox h GLN 11 CO -0.01 0.56 0.00 0.66 -1.50 0.00 0.00 178.83 178.54 1iox n TYR 12 N -4.35 0.02 -1.31 2.96 4.01 -0.37 -4.42 117.16 113.71 1iox n TYR 12 Ca 0.03 -0.01 -0.23 0.00 -0.16 0.00 0.00 57.90 57.53 1iox n TYR 12 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.90 2.23 0.05 -0.72 4.81 -0.69 -4.35 118.16 120.39 1iox n LYS 13 Ca 0.16 -2.05 0.12 0.00 -0.87 0.00 0.00 58.31 55.68 1iox n LYS 13 Cb 0.50 -2.01 0.28 0.00 0.02 0.00 0.00 35.03 33.83 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 0.89 0.43 1.45 5.64 8.25 -1.26 -3.17 115.22 127.44 1iox n HIS 14 Ca 0.44 0.12 0.14 0.00 -0.26 0.00 0.00 57.72 58.16 1iox n HIS 14 Cb 0.59 -0.60 0.49 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 -1.92 0.00 -3.64 4.41 0.18 -1.26 -4.81 117.16 110.11 1iox n TYR 15 Ca 0.05 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.80 1iox n TYR 15 Cb 0.40 -0.02 -0.05 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 5.19 0.00 -1.61 0.00 2.08 -0.91 -4.27 119.36 119.85 1iox n ILE 17 Ca -0.14 0.20 -0.30 0.00 0.56 0.00 0.00 62.75 63.07 1iox n ILE 17 Cb 0.51 -0.47 -0.05 0.00 -0.75 0.00 0.00 39.64 38.89 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 -0.75 3.03 -3.82 0.38 2.85 -0.97 -4.87 118.16 114.01 1iox n LYS 18 Ca 0.00 -2.59 -0.13 0.00 -1.05 0.00 0.00 58.31 54.54 1iox n LYS 18 Cb 0.00 -2.28 -0.14 0.00 -0.65 0.00 0.00 35.03 31.96 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 0.47 -0.04 -0.13 2.58 0.00 -1.26 -2.18 107.32 106.75 1iox s GLY 19 Ca 0.58 0.30 -0.11 0.00 0.00 0.00 0.00 44.72 45.50 1iox s GLY 19 CO -0.17 0.36 0.22 0.50 0.00 0.00 0.00 173.10 174.00 1iox s ARG 20 N 0.29 3.91 -0.10 2.90 0.52 0.16 -4.85 118.95 121.79 1iox s ARG 20 Ca -0.02 -0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 1iox s ARG 20 Cb -0.03 -3.31 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 1iox s ARG 20 CO -0.01 0.50 -0.16 0.00 0.02 0.00 0.00 175.30 175.65 1iox s ARG 22 N 0.09 4.23 -0.28 0.00 1.81 0.80 -1.21 118.95 124.39 1iox s ARG 22 Ca -0.07 0.11 0.01 0.00 -1.72 0.00 0.00 55.73 54.06 1iox s ARG 22 Cb -0.15 -3.47 0.06 0.00 -0.45 0.00 0.00 34.95 30.94 1iox s ARG 22 CO 0.05 0.14 -0.06 0.12 -0.68 0.00 0.00 175.30 174.87 1iox s PHE 23 N 0.76 3.28 -0.18 -0.53 2.19 -0.89 -0.79 117.98 121.82 1iox s PHE 23 Ca 0.17 -2.17 -0.24 0.00 0.33 0.00 0.00 56.93 55.02 1iox s PHE 23 Cb -0.14 -2.03 -0.02 0.00 -1.31 0.00 0.00 43.02 39.53 1iox s PHE 23 CO 0.05 -0.85 0.77 0.08 1.83 0.00 0.00 175.22 177.10 1iox s VAL 24 N 1.15 4.92 -0.08 3.12 1.01 -0.96 -4.10 120.40 125.46 1iox s VAL 24 Ca -0.07 1.49 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 1iox s VAL 24 Cb -0.20 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1iox s VAL 24 CO -0.04 0.05 0.07 0.58 0.00 0.00 0.00 175.10 175.77 1iox h VAL 25 N 5.19 0.00 -0.96 2.92 2.07 -1.95 -2.60 116.25 120.93 1iox h VAL 25 Ca -0.30 -0.85 0.19 0.00 0.82 0.00 0.00 66.70 66.56 1iox h VAL 25 Cb 1.13 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.72 1iox h VAL 25 CO 0.82 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 178.16 1iox h ALA 26 N -1.13 0.60 -3.30 1.67 0.00 -1.98 -3.10 119.26 112.03 1iox h ALA 26 Ca -0.01 0.37 -0.68 0.00 0.00 0.00 0.00 54.91 54.59 1iox h ALA 26 Cb 0.05 0.74 -0.37 0.00 0.00 0.00 0.00 17.79 18.21 1iox h ALA 26 CO 0.01 -0.40 -0.56 -2.00 0.00 0.00 0.00 179.25 176.30 1iox s GLU 27 N -6.24 2.01 -0.82 0.00 2.56 -1.26 -5.01 118.70 109.93 1iox s GLU 27 Ca -0.15 -2.10 -0.12 0.00 0.00 0.00 0.00 54.97 52.61 1iox s GLU 27 Cb 0.26 -3.50 -0.25 0.00 2.00 0.00 0.00 34.13 32.63 1iox s GLU 27 CO 0.77 -1.07 1.88 1.04 -0.56 0.00 0.00 175.26 177.32 1iox n GLN 28 N 4.08 0.00 -3.41 4.30 1.13 -1.17 -4.47 117.38 117.84 1iox n GLN 28 Ca 0.02 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.81 1iox n GLN 28 Cb 0.39 -0.93 -0.10 0.00 0.11 0.00 0.00 30.24 29.72 1iox n GLN 28 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1iox n THR 29 N 4.94 -0.96 -2.51 5.09 -1.04 -0.98 -4.96 114.28 113.86 1iox n THR 29 Ca 0.56 -3.58 -0.41 0.00 -2.04 0.00 0.00 64.05 58.58 1iox n THR 29 Cb 0.09 -1.71 -0.01 0.00 -1.82 0.00 0.00 70.33 66.88 1iox n THR 29 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1iox s PRO 30 N -0.16 3.76 -0.06 -2.82 0.04 -1.26 -2.27 135.00 132.23 1iox s PRO 30 Ca 0.33 -1.83 -0.19 0.00 0.04 0.00 0.00 61.00 59.34 1iox s PRO 30 Cb 0.04 -5.49 -0.05 0.00 0.04 0.00 0.00 34.50 29.05 1iox s PRO 30 CO -0.19 -2.50 0.54 -1.54 0.04 0.00 0.00 177.00 173.35 1iox s SER 31 N 4.60 6.83 -0.18 6.66 1.04 0.03 -4.96 113.70 127.72 1iox s SER 31 Ca 0.56 0.99 -0.06 0.00 0.48 0.00 0.00 55.95 57.92 1iox s SER 31 Cb 0.03 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 1iox s SER 31 CO 0.08 0.04 0.02 0.00 0.98 0.00 0.00 173.24 174.36 1iox s VAL 33 N 0.60 1.22 0.43 0.00 1.01 -0.16 -4.96 120.40 118.54 1iox s VAL 33 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1iox s VAL 33 Cb -0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1iox s VAL 33 CO 0.02 0.39 0.71 0.00 0.00 0.00 0.00 175.10 176.23 1iox n ASP 35 N -1.97 3.09 -0.33 0.00 8.00 -0.93 -4.77 116.55 119.64 1iox n ASP 35 Ca -0.01 1.01 0.21 0.00 0.71 0.00 0.00 54.79 56.72 1iox n ASP 35 Cb 0.55 -1.31 0.43 0.00 -0.02 0.00 0.00 41.12 40.78 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 8.32 0.32 -1.79 -1.24 4.22 -1.93 0.32 114.58 122.80 1iox h GLU 36 Ca -0.48 -0.02 -0.43 0.00 0.08 0.00 0.00 59.36 58.52 1iox h GLU 36 Cb 1.29 -0.07 -0.16 0.00 0.50 0.00 0.00 28.75 30.30 1iox h GLU 36 CO 0.94 0.21 0.39 0.41 -2.18 0.00 0.00 179.01 178.78 1iox n GLY 37 N -1.31 4.25 3.58 1.92 0.00 -1.26 -4.90 105.19 107.47 1iox n GLY 37 Ca 0.29 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.73 2.37 0.11 1.61 1.13 0.11 -1.15 117.35 119.80 1iox s TYR 38 Ca 0.48 -0.75 -0.11 0.00 -1.41 0.00 0.00 57.07 55.28 1iox s TYR 38 Cb 0.33 -1.65 0.01 0.00 -1.10 0.00 0.00 41.96 39.55 1iox s TYR 38 CO -0.13 0.33 0.28 0.42 -2.51 0.00 0.00 175.55 173.94 1iox s ILE 39 N -2.86 0.11 0.00 -3.49 1.01 -0.64 -4.57 121.20 110.75 1iox s ILE 39 Ca 0.35 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1iox s ILE 39 Cb 0.10 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1iox s ILE 39 CO 0.17 -0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.23 1iox n GLY 40 N -0.14 1.15 0.12 6.18 0.00 -1.26 -1.07 105.19 110.18 1iox n GLY 40 Ca -0.14 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.51 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 0.30 -0.80 4.61 0.00 -2.00 -3.37 119.26 118.00 1iox h ALA 41 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 54.91 53.39 1iox h ALA 41 Cb 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 17.79 18.27 1iox h ALA 41 CO 0.00 0.94 0.36 -2.13 0.00 0.00 0.00 179.25 178.42 1iox n ARG 42 N -3.98 3.35 -3.15 0.00 0.63 -1.26 -4.91 116.66 107.35 1iox n ARG 42 Ca -0.30 -3.08 -0.14 0.00 -0.92 0.00 0.00 57.85 53.41 1iox n ARG 42 Cb 0.86 -2.20 0.07 0.00 0.45 0.00 0.00 32.46 31.64 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 -3.50 0.95 -2.75 0.00 4.07 -1.21 -2.30 120.64 115.91 1iox n GLU 44 Ca -0.22 0.05 -0.24 0.00 -0.06 0.00 0.00 57.16 56.69 1iox n GLU 44 Cb 0.64 -1.42 0.02 0.00 -0.06 0.00 0.00 31.44 30.61 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 -2.41 3.03 0.30 5.31 1.81 -0.23 -4.98 118.95 121.78 1iox s ARG 45 Ca -0.18 -0.29 0.10 0.00 -1.72 0.00 0.00 55.73 53.65 1iox s ARG 45 Cb 0.06 -2.45 -0.05 0.00 -0.45 0.00 0.00 34.95 32.06 1iox s ARG 45 CO 0.58 -0.43 -0.09 0.54 -0.68 0.00 0.00 175.30 175.23 1iox s VAL 46 N -2.72 2.73 0.00 3.52 0.11 -1.26 -1.63 120.40 121.15 1iox s VAL 46 Ca 0.50 -2.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.40 1iox s VAL 46 Cb -0.10 -2.59 0.00 0.00 -1.53 0.00 0.00 36.38 32.15 1iox s VAL 46 CO 0.41 -0.32 0.00 -0.67 -3.33 0.00 0.00 175.10 171.18 1iox n ASP 47 N -0.79 0.00 -2.70 3.54 -0.08 -0.30 -4.50 116.55 111.72 1iox n ASP 47 Ca -0.05 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.16 1iox n ASP 47 Cb 0.61 -0.19 0.12 0.00 2.34 0.00 0.00 41.12 43.99 1iox n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iox n LEU 48 N -2.34 -1.97 -0.33 -2.67 -0.00 -1.23 -4.98 117.00 103.48 1iox n LEU 48 Ca 0.00 -3.49 0.14 0.00 -0.00 0.00 0.00 56.01 52.65 1iox n LEU 48 Cb 0.00 0.15 0.33 0.00 -0.00 0.00 0.00 43.42 43.90 1iox n LEU 48 CO 0.00 1.92 1.14 0.15 -0.00 0.00 0.00 177.39 180.60 1iox h PHE 49 N 2.14 0.92 -0.01 1.47 3.04 -1.95 -3.49 116.94 119.05 1iox h PHE 49 Ca -0.26 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.73 1iox h PHE 49 Cb 1.27 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.53 1iox h PHE 49 CO 0.16 0.10 0.00 0.66 -2.02 0.00 0.00 178.31 177.21