#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p98 s ALA 2 N 0.00 4.28 0.44 3.04 0.00 -1.26 -5.08 121.76 123.19 1p98 s ALA 2 Ca 0.00 -1.61 -0.00 0.00 0.00 0.00 0.00 51.96 50.34 1p98 s ALA 2 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1p98 s ALA 2 CO 0.00 -0.58 0.02 1.33 0.00 0.00 0.00 175.76 176.53 1p98 n VAL 3 N -2.13 0.00 -3.55 0.00 0.24 -0.57 -4.90 118.33 107.41 1p98 n VAL 3 Ca 0.09 -0.03 -0.21 0.00 -2.04 0.00 0.00 64.34 62.16 1p98 n VAL 3 Cb 0.60 -1.43 -0.03 0.00 -1.47 0.00 0.00 33.84 31.51 1p98 n VAL 3 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p98 s THR 4 N 0.06 2.66 -0.11 3.34 2.01 -1.26 -2.46 115.64 119.87 1p98 s THR 4 Ca 0.01 -1.34 -0.04 0.00 0.31 0.00 0.00 61.69 60.64 1p98 s THR 4 Cb -0.00 -3.00 0.05 0.00 0.01 0.00 0.00 72.50 69.57 1p98 s THR 4 CO 0.01 0.00 0.14 -0.63 -0.69 0.00 0.00 174.62 173.45 1p98 s ILE 5 N -2.47 -0.21 0.05 1.82 1.01 0.74 -4.43 121.20 117.70 1p98 s ILE 5 Ca 0.48 0.20 -0.27 0.00 0.00 0.00 0.00 60.65 61.06 1p98 s ILE 5 Cb -0.03 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 1p98 s ILE 5 CO 0.28 0.02 0.85 -0.89 0.00 0.00 0.00 174.94 175.20 1p98 s THR 6 N 2.25 4.71 0.21 2.92 2.01 -1.26 -1.30 115.64 125.18 1p98 s THR 6 Ca 0.04 1.82 0.02 0.00 0.31 0.00 0.00 61.69 63.87 1p98 s THR 6 Cb -0.13 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 1p98 s THR 6 CO -0.07 0.31 0.04 -0.76 -0.69 0.00 0.00 174.62 173.45 1p98 s LEU 7 N 0.20 1.95 -0.29 4.42 1.43 0.12 -1.35 118.68 125.16 1p98 s LEU 7 Ca 0.43 -1.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 1p98 s LEU 7 Cb -0.21 -0.06 0.12 0.00 0.03 0.00 0.00 46.19 46.07 1p98 s LEU 7 CO 0.25 -0.62 0.77 -0.75 0.23 0.00 0.00 176.35 176.23 1p98 s LYS 8 N -3.95 0.54 0.00 1.70 2.20 -0.36 -1.53 119.74 118.34 1p98 s LYS 8 Ca 0.30 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1p98 s LYS 8 Cb 0.07 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.82 1p98 s LYS 8 CO 0.08 -0.15 0.00 0.25 -0.36 0.00 0.00 175.35 175.18 1p98 n THR 9 N 4.71 0.00 -0.66 3.43 -2.24 0.33 -1.32 114.28 118.53 1p98 n THR 9 Ca -0.15 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 1p98 n THR 9 Cb 0.54 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.84 1p98 n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p98 n LEU 10 N 0.00 6.01 0.00 3.22 7.99 -1.26 -4.44 117.00 128.51 1p98 n LEU 10 Ca 0.00 -3.12 0.00 0.00 -0.01 0.00 0.00 56.01 52.88 1p98 n LEU 10 Cb 0.00 -0.91 0.00 0.00 -0.11 0.00 0.00 43.42 42.40 1p98 n LEU 10 CO 0.00 1.08 0.00 1.67 -1.51 0.00 0.00 177.39 178.63 1p98 n GLN 11 N -0.02 0.00 -0.04 3.23 -0.06 -1.26 -4.84 117.38 114.39 1p98 n GLN 11 Ca 0.33 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 55.23 1p98 n GLN 11 Cb 0.79 -0.39 0.05 0.00 -4.06 0.00 0.00 30.24 26.64 1p98 n GLN 11 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 1p98 h GLN 12 N 1.48 0.67 -5.37 3.69 4.15 -1.96 -3.45 115.11 114.33 1p98 h GLN 12 Ca 0.00 -0.38 -0.42 0.00 0.77 0.00 0.00 58.65 58.63 1p98 h GLN 12 Cb 0.00 0.02 -0.21 0.00 0.21 0.00 0.00 27.48 27.50 1p98 h GLN 12 CO 0.00 0.99 -0.78 -0.65 -1.93 0.00 0.00 178.83 176.46 1p98 s GLN 13 N -4.19 0.83 -0.03 1.69 -0.21 -1.26 -5.04 119.66 111.45 1p98 s GLN 13 Ca -0.08 -0.97 -0.01 0.00 0.02 0.00 0.00 55.36 54.31 1p98 s GLN 13 Cb 0.12 -0.84 0.03 0.00 1.00 0.00 0.00 33.01 33.31 1p98 s GLN 13 CO 0.85 0.19 0.05 0.99 -2.12 0.00 0.00 175.29 175.24 1p98 s THR 14 N -1.31 -0.08 0.09 -0.19 2.01 -1.26 -0.51 115.64 114.39 1p98 s THR 14 Ca -0.01 0.28 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 1p98 s THR 14 Cb -0.10 -0.12 0.01 0.00 0.01 0.00 0.00 72.50 72.31 1p98 s THR 14 CO 0.02 0.12 0.27 0.72 -0.69 0.00 0.00 174.62 175.06 1p98 s PHE 15 N 1.45 -0.00 0.28 4.92 -0.12 -0.58 -4.97 117.98 118.95 1p98 s PHE 15 Ca -0.04 -0.33 0.08 0.00 -0.05 0.00 0.00 56.93 56.59 1p98 s PHE 15 Cb -0.13 0.06 -0.06 0.00 -0.63 0.00 0.00 43.02 42.27 1p98 s PHE 15 CO -0.03 -0.57 -0.10 0.15 -0.05 0.00 0.00 175.22 174.61 1p98 s LYS 16 N -3.52 1.58 0.13 1.99 3.01 -1.26 0.15 119.74 121.83 1p98 s LYS 16 Ca 0.02 -1.78 0.03 0.00 -1.01 0.00 0.00 55.97 53.24 1p98 s LYS 16 Cb 0.03 -1.35 -0.04 0.00 -1.01 0.00 0.00 37.83 35.45 1p98 s LYS 16 CO -0.09 0.13 -0.09 0.42 0.51 0.00 0.00 175.35 176.23 1p98 s ILE 17 N -2.84 0.99 -0.97 2.17 -1.09 -0.42 -4.92 121.20 114.12 1p98 s ILE 17 Ca 0.29 -2.01 -0.01 0.00 -2.23 0.00 0.00 60.65 56.68 1p98 s ILE 17 Cb 0.01 -1.79 0.30 0.00 -1.58 0.00 0.00 42.46 39.41 1p98 s ILE 17 CO 0.12 -0.79 1.35 -1.14 -1.23 0.00 0.00 174.94 173.25 1p98 n ARG 18 N -0.14 4.15 -2.35 2.79 0.63 -1.26 -0.19 116.66 120.28 1p98 n ARG 18 Ca -0.11 -4.60 -0.11 0.00 -0.92 0.00 0.00 57.85 52.10 1p98 n ARG 18 Cb 0.61 -2.45 0.01 0.00 0.45 0.00 0.00 32.46 31.08 1p98 n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1p98 n MET 19 N 1.03 1.00 -4.94 -0.14 0.00 -1.03 -4.83 117.12 108.22 1p98 n MET 19 Ca 0.29 -1.56 -0.32 0.00 0.00 0.00 0.00 57.70 56.11 1p98 n MET 19 Cb 0.34 0.07 -0.14 0.00 0.00 0.00 0.00 33.22 33.50 1p98 n MET 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1p98 s GLU 20 N -3.12 2.33 0.00 3.17 2.12 -1.26 -1.51 118.70 120.42 1p98 s GLU 20 Ca 0.20 -0.81 0.06 0.00 0.36 0.00 0.00 54.97 54.78 1p98 s GLU 20 Cb -0.02 -2.26 0.30 0.00 0.26 0.00 0.00 34.13 32.41 1p98 s GLU 20 CO 0.12 0.59 1.09 -2.30 -0.54 0.00 0.00 175.26 174.23 1p98 n PRO 21 N 2.18 0.07 -0.02 4.30 -0.02 -1.26 -2.22 135.00 138.02 1p98 n PRO 21 Ca -0.17 0.27 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1p98 n PRO 21 Cb 0.52 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 1p98 n PRO 21 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1p98 h ASP 22 N 0.00 0.00 -4.13 2.55 2.03 -1.95 0.15 116.42 115.07 1p98 h ASP 22 Ca 0.00 -0.01 -0.50 0.00 -0.73 0.00 0.00 57.03 55.79 1p98 h ASP 22 Cb 0.07 -0.00 0.18 0.00 -0.83 0.00 0.00 39.33 38.75 1p98 h ASP 22 CO 0.00 1.01 0.22 -1.61 -1.03 0.00 0.00 179.24 177.83 1p98 s GLU 23 N -2.60 1.10 -0.09 4.15 0.41 -0.94 -4.64 118.70 116.09 1p98 s GLU 23 Ca -0.05 1.29 0.03 0.00 -0.41 0.00 0.00 54.97 55.83 1p98 s GLU 23 Cb 0.08 -1.76 0.23 0.00 -1.78 0.00 0.00 34.13 30.90 1p98 s GLU 23 CO 0.82 -2.48 0.97 0.25 -0.49 0.00 0.00 175.26 174.33 1p98 n THR 24 N -4.11 1.03 0.00 3.63 -2.24 -1.26 -1.66 114.28 109.68 1p98 n THR 24 Ca 0.10 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1p98 n THR 24 Cb 0.53 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1p98 n THR 24 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p98 n VAL 25 N 0.14 0.00 -0.31 2.28 0.31 -1.20 -2.95 118.33 116.61 1p98 n VAL 25 Ca 0.11 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.49 1p98 n VAL 25 Cb 0.61 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.75 1p98 n VAL 25 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1p98 h LYS 26 N 0.00 0.73 -0.95 5.55 3.64 -1.63 0.20 116.57 124.11 1p98 h LYS 26 Ca 0.00 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1p98 h LYS 26 Cb 0.00 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.58 1p98 h LYS 26 CO 0.00 0.48 0.59 -0.39 -2.27 0.00 0.00 179.45 177.87 1p98 h VAL 27 N 0.75 0.98 -0.77 2.00 -1.51 -1.86 -1.34 116.25 114.50 1p98 h VAL 27 Ca 0.45 -0.35 -0.03 0.00 -1.23 0.00 0.00 66.70 65.54 1p98 h VAL 27 Cb 0.52 -0.11 -0.04 0.00 -2.13 0.00 0.00 31.29 29.53 1p98 h VAL 27 CO -0.30 0.18 0.36 0.25 -1.23 0.00 0.00 177.57 176.84 1p98 h LEU 28 N 1.01 1.00 -0.83 4.19 5.85 -1.03 -0.81 115.31 124.68 1p98 h LEU 28 Ca 0.44 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 59.13 1p98 h LEU 28 Cb 0.33 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 1p98 h LEU 28 CO -0.22 0.85 0.49 0.11 -0.34 0.00 0.00 178.44 179.33 1p98 h LYS 29 N 1.10 0.82 -0.88 1.25 1.79 -0.18 0.47 116.57 120.94 1p98 h LYS 29 Ca 0.27 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1p98 h LYS 29 Cb 0.12 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 1p98 h LYS 29 CO -0.03 0.55 0.55 0.93 -1.08 0.00 0.00 179.45 180.37 1p98 h GLU 30 N 0.85 1.18 0.27 3.15 5.08 -0.53 0.01 114.58 124.59 1p98 h GLU 30 Ca 0.39 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1p98 h GLU 30 Cb 0.30 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1p98 h GLU 30 CO -0.22 0.81 -0.13 0.87 -1.00 0.00 0.00 179.01 179.34 1p98 h LYS 31 N 1.20 -0.35 -0.92 2.33 6.56 -0.71 -0.45 116.57 124.24 1p98 h LYS 31 Ca 0.32 0.02 0.09 0.00 -1.06 0.00 0.00 60.65 60.02 1p98 h LYS 31 Cb -0.09 0.08 -0.07 0.00 -0.57 0.00 0.00 32.23 31.59 1p98 h LYS 31 CO -0.06 -0.00 0.59 0.82 -2.06 0.00 0.00 179.45 178.74 1p98 h ILE 32 N -0.91 1.00 -0.14 1.86 2.04 -0.97 0.18 117.51 120.57 1p98 h ILE 32 Ca -0.04 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1p98 h ILE 32 Cb 0.51 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1p98 h ILE 32 CO 0.06 0.18 -0.41 -0.08 0.00 0.00 0.00 178.15 177.90 1p98 h GLU 33 N 0.97 0.31 0.00 2.37 4.22 -1.01 -1.34 114.58 120.09 1p98 h GLU 33 Ca 0.42 -0.15 -0.08 0.00 0.08 0.00 0.00 59.36 59.62 1p98 h GLU 33 Cb 0.33 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1p98 h GLU 33 CO -0.18 0.67 -0.40 0.00 -2.18 0.00 0.00 179.01 176.92 1p98 h ALA 34 N 1.32 1.08 -0.04 2.92 0.00 0.98 0.70 119.26 126.22 1p98 h ALA 34 Ca 0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1p98 h ALA 34 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1p98 h ALA 34 CO 0.07 0.50 -0.19 1.49 0.00 0.00 0.00 179.25 181.12 1p98 h GLU 35 N 0.00 0.20 0.00 0.00 4.81 -0.52 -3.42 114.58 115.66 1p98 h GLU 35 Ca -0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1p98 h GLU 35 Cb 0.85 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1p98 h GLU 35 CO 0.05 0.81 -0.34 1.17 -0.73 0.00 0.00 179.01 179.97 1p98 n LYS 36 N -4.57 0.20 0.00 1.92 0.00 -0.54 -5.11 118.16 110.07 1p98 n LYS 36 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1p98 n LYS 36 Cb 0.43 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.52 1p98 n LYS 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1p98 n GLY 37 N 1.55 1.31 0.00 3.14 0.00 0.24 -4.77 105.19 106.67 1p98 n GLY 37 Ca -0.05 -1.75 0.09 0.00 0.00 0.00 0.00 46.02 44.32 1p98 n GLY 37 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1p98 n ARG 38 N -1.78 0.19 -0.05 1.61 1.85 -1.26 -1.31 116.66 115.92 1p98 n ARG 38 Ca 0.00 0.12 -0.15 0.00 -1.00 0.00 0.00 57.85 56.82 1p98 n ARG 38 Cb 0.00 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 29.77 1p98 n ARG 38 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1p98 n ASP 39 N -1.35 1.38 -0.04 2.89 2.03 -1.26 -3.63 116.55 116.56 1p98 n ASP 39 Ca 0.08 0.16 -0.01 0.00 0.52 0.00 0.00 54.79 55.54 1p98 n ASP 39 Cb 0.18 -0.23 -0.00 0.00 -0.72 0.00 0.00 41.12 40.35 1p98 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p98 h ALA 40 N 0.47 0.00 -2.47 -1.67 0.00 -1.82 -3.44 119.26 110.33 1p98 h ALA 40 Ca -0.44 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 53.79 1p98 h ALA 40 Cb 2.04 0.08 -0.39 0.00 0.00 0.00 0.00 17.79 19.52 1p98 h ALA 40 CO 0.04 0.08 -0.91 1.19 0.00 0.00 0.00 179.25 179.65 1p98 n PHE 41 N -4.29 -0.10 -2.32 0.00 3.72 -0.42 -4.83 117.46 109.21 1p98 n PHE 41 Ca -0.01 -3.51 -0.42 0.00 -0.05 0.00 0.00 57.45 53.46 1p98 n PHE 41 Cb 0.04 0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1p98 n PHE 41 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1p98 s PRO 42 N -0.31 4.31 0.49 -1.08 0.04 -1.22 -3.95 135.00 133.29 1p98 s PRO 42 Ca 0.32 1.84 0.42 0.00 0.04 0.00 0.00 61.00 63.62 1p98 s PRO 42 Cb 0.03 -3.56 1.56 0.00 0.04 0.00 0.00 34.50 32.58 1p98 s PRO 42 CO -0.19 -0.51 1.47 1.33 0.04 0.00 0.00 177.00 179.13 1p98 n VAL 43 N 4.61 -0.07 0.10 -0.36 0.24 -1.26 -0.33 118.33 121.26 1p98 n VAL 43 Ca 0.12 1.49 -0.05 0.00 -2.04 0.00 0.00 64.34 63.87 1p98 n VAL 43 Cb 0.45 -2.47 -0.03 0.00 -1.47 0.00 0.00 33.84 30.32 1p98 n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p98 h ALA 44 N 1.11 -0.95 -0.00 2.33 0.00 -1.97 -3.15 119.26 116.63 1p98 h ALA 44 Ca 0.87 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.72 1p98 h ALA 44 Cb 3.28 0.27 0.00 0.00 0.00 0.00 0.00 17.79 21.34 1p98 h ALA 44 CO -0.14 -0.95 -0.03 0.41 0.00 0.00 0.00 179.25 178.54 1p98 n GLY 45 N -1.15 -0.86 3.71 0.00 0.00 -0.01 -4.87 105.19 102.00 1p98 n GLY 45 Ca -0.04 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1p98 n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p98 s GLN 46 N -2.20 4.22 0.01 1.61 -0.21 0.56 -4.16 119.66 119.49 1p98 s GLN 46 Ca 0.39 2.32 -0.02 0.00 0.02 0.00 0.00 55.36 58.07 1p98 s GLN 46 Cb 0.21 -3.31 -0.01 0.00 1.00 0.00 0.00 33.01 30.89 1p98 s GLN 46 CO 0.40 -0.63 0.02 0.15 -2.12 0.00 0.00 175.29 173.11 1p98 s LYS 47 N 1.65 0.34 0.05 2.91 1.02 -0.20 -4.68 119.74 120.83 1p98 s LYS 47 Ca 0.71 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 56.24 1p98 s LYS 47 Cb -0.42 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.00 1p98 s LYS 47 CO 0.31 -0.06 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.01 1p98 s LEU 48 N -1.35 2.21 -0.22 3.17 1.02 -0.95 -0.12 118.68 122.43 1p98 s LEU 48 Ca -0.15 -0.52 0.01 0.00 0.02 0.00 0.00 54.13 53.50 1p98 s LEU 48 Cb -0.09 -0.66 0.05 0.00 0.02 0.00 0.00 46.19 45.51 1p98 s LEU 48 CO -0.00 0.03 -0.10 -0.63 0.02 0.00 0.00 176.35 175.67 1p98 s ILE 49 N -0.96 1.78 -0.19 -0.59 -1.09 0.11 -0.85 121.20 119.40 1p98 s ILE 49 Ca 0.02 -1.23 0.01 0.00 -2.23 0.00 0.00 60.65 57.22 1p98 s ILE 49 Cb -0.09 -1.90 0.03 0.00 -1.58 0.00 0.00 42.46 38.92 1p98 s ILE 49 CO 0.02 0.07 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.15 1p98 s TYR 50 N 1.31 2.82 -1.13 3.97 5.04 -0.03 -1.59 117.35 127.73 1p98 s TYR 50 Ca -0.04 -1.75 -0.02 0.00 -2.44 0.00 0.00 57.07 52.81 1p98 s TYR 50 Cb -0.18 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.25 1p98 s TYR 50 CO -0.07 -0.81 0.27 0.00 -1.34 0.00 0.00 175.55 173.60 1p98 n ALA 51 N 4.60 -0.58 0.00 3.97 0.00 -1.26 -1.89 120.51 125.34 1p98 n ALA 51 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1p98 n ALA 51 Cb 0.48 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1p98 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p98 n GLY 52 N -1.19 2.71 3.95 0.00 0.00 -1.26 -5.01 105.19 104.39 1p98 n GLY 52 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1p98 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p98 s LYS 53 N -0.11 2.50 0.19 1.61 1.02 -0.79 -5.07 119.74 119.09 1p98 s LYS 53 Ca 0.00 -0.52 0.09 0.00 0.02 0.00 0.00 55.97 55.57 1p98 s LYS 53 Cb 0.00 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 1p98 s LYS 53 CO 0.00 -0.85 -0.11 0.42 -0.92 0.00 0.00 175.35 173.89 1p98 s ILE 54 N -2.92 3.07 -0.06 2.17 -1.09 -1.26 -0.85 121.20 120.26 1p98 s ILE 54 Ca 0.57 -1.74 -0.04 0.00 -2.23 0.00 0.00 60.65 57.22 1p98 s ILE 54 Cb -0.10 -2.52 0.02 0.00 -1.58 0.00 0.00 42.46 38.28 1p98 s ILE 54 CO 0.41 -0.13 0.14 -1.48 -1.23 0.00 0.00 174.94 172.65 1p98 s LEU 55 N -2.86 1.17 0.47 2.97 2.34 -0.03 -4.91 118.68 117.83 1p98 s LEU 55 Ca 0.25 0.28 0.08 0.00 0.06 0.00 0.00 54.13 54.79 1p98 s LEU 55 Cb -0.08 0.41 0.01 0.00 -0.56 0.00 0.00 46.19 45.97 1p98 s LEU 55 CO 0.15 -0.09 0.47 -0.55 -1.06 0.00 0.00 176.35 175.27 1p98 s SER 56 N 0.55 5.03 0.27 1.48 0.15 -1.26 -2.25 113.70 117.66 1p98 s SER 56 Ca -0.04 -0.84 0.19 0.00 0.70 0.00 0.00 55.95 55.96 1p98 s SER 56 Cb -0.05 -0.21 1.00 0.00 -1.71 0.00 0.00 66.02 65.04 1p98 s SER 56 CO -0.02 -0.88 1.59 -0.90 1.20 0.00 0.00 173.24 174.22 1p98 n ASP 57 N -1.74 0.50 -0.04 5.45 5.68 -1.26 -1.82 116.55 123.31 1p98 n ASP 57 Ca 0.05 0.71 0.10 0.00 -0.50 0.00 0.00 54.79 55.16 1p98 n ASP 57 Cb 0.62 -0.79 -0.04 0.00 -1.14 0.00 0.00 41.12 39.77 1p98 n ASP 57 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1p98 n ASP 58 N -2.15 1.00 -4.89 -1.12 -0.08 -1.21 -1.85 116.55 106.24 1p98 n ASP 58 Ca -0.01 -0.91 -0.31 0.00 -1.51 0.00 0.00 54.79 52.05 1p98 n ASP 58 Cb 0.07 0.82 -0.05 0.00 2.34 0.00 0.00 41.12 44.30 1p98 n ASP 58 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1p98 s VAL 59 N -2.95 5.00 0.20 5.18 -7.23 -0.76 -4.89 120.40 114.96 1p98 s VAL 59 Ca 0.10 0.27 -0.30 0.00 -1.81 0.00 0.00 61.98 60.24 1p98 s VAL 59 Cb 0.16 -3.65 -0.08 0.00 0.56 0.00 0.00 36.38 33.37 1p98 s VAL 59 CO 0.81 -0.13 1.01 -2.16 -0.31 0.00 0.00 175.10 174.33 1p98 s PRO 60 N -3.01 4.72 0.38 4.82 0.05 -1.26 -3.22 135.00 137.47 1p98 s PRO 60 Ca 0.45 1.60 0.06 0.00 0.05 0.00 0.00 61.00 63.16 1p98 s PRO 60 Cb -0.11 -3.29 0.77 0.00 0.05 0.00 0.00 34.50 31.92 1p98 s PRO 60 CO 0.24 0.28 2.00 0.82 0.05 0.00 0.00 177.00 180.40 1p98 h ILE 61 N 3.49 1.07 -0.01 0.56 1.08 -1.42 -0.96 117.51 121.33 1p98 h ILE 61 Ca -0.45 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 63.73 1p98 h ILE 61 Cb 1.21 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1p98 h ILE 61 CO 0.70 0.13 -0.24 -0.09 -0.69 0.00 0.00 178.15 177.95 1p98 h ARG 62 N 0.70 0.01 0.00 2.37 2.43 -0.95 -1.68 114.38 117.26 1p98 h ARG 62 Ca 0.24 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1p98 h ARG 62 Cb 0.10 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1p98 h ARG 62 CO -0.07 0.25 -0.09 0.22 -1.51 0.00 0.00 179.97 178.78 1p98 h ASP 63 N 0.01 0.00 -0.35 -3.80 3.58 -1.45 -1.09 116.42 113.31 1p98 h ASP 63 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1p98 h ASP 63 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1p98 h ASP 63 CO 0.03 0.09 0.00 -1.22 -2.88 0.00 0.00 179.24 175.26 1p98 n TYR 64 N -3.88 0.88 -4.48 0.28 4.02 -0.70 -4.99 117.16 108.29 1p98 n TYR 64 Ca -0.02 -0.70 -0.40 0.00 -0.01 0.00 0.00 57.90 56.76 1p98 n TYR 64 Cb 0.18 -0.21 -0.08 0.00 -0.02 0.00 0.00 39.34 39.22 1p98 n TYR 64 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1p98 n ARG 65 N 0.11 -1.02 -2.18 -0.72 1.74 -0.41 -4.73 116.66 109.45 1p98 n ARG 65 Ca 0.19 0.16 -0.30 0.00 -0.77 0.00 0.00 57.85 57.12 1p98 n ARG 65 Cb 0.73 -4.60 -0.05 0.00 -1.02 0.00 0.00 32.46 27.53 1p98 n ARG 65 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1p98 s ILE 66 N -3.42 3.59 0.35 0.55 1.01 -1.04 -4.92 121.20 117.32 1p98 s ILE 66 Ca 0.71 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 1p98 s ILE 66 Cb -0.41 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 37.68 1p98 s ILE 66 CO 1.01 -1.20 0.62 1.51 0.00 0.00 0.00 174.94 176.88 1p98 s ASP 67 N 7.06 6.38 0.21 3.58 1.47 -1.26 -4.95 116.67 129.17 1p98 s ASP 67 Ca 0.64 0.74 -0.09 0.00 1.18 0.00 0.00 52.55 55.01 1p98 s ASP 67 Cb -0.04 -2.16 0.21 0.00 -0.34 0.00 0.00 42.92 40.59 1p98 s ASP 67 CO -0.01 -0.32 1.84 -0.08 0.68 0.00 0.00 175.17 177.29 1p98 h GLU 68 N 1.13 0.81 -0.96 2.11 4.81 -1.92 -2.13 114.58 118.44 1p98 h GLU 68 Ca -0.48 -0.05 0.28 0.00 -0.13 0.00 0.00 59.36 58.98 1p98 h GLU 68 Cb 1.20 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 1p98 h GLU 68 CO 0.64 0.54 0.69 -0.22 -0.73 0.00 0.00 179.01 179.92 1p98 h LYS 69 N 0.83 0.00 -6.25 1.92 3.11 -1.96 -3.40 116.57 110.82 1p98 h LYS 69 Ca 0.29 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.57 1p98 h LYS 69 Cb 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.21 1p98 h LYS 69 CO -0.13 0.00 -0.61 1.21 -2.81 0.00 0.00 179.45 177.11 1p98 s ASN 70 N -5.52 4.97 -0.02 4.20 2.47 -0.80 -5.11 114.94 115.12 1p98 s ASN 70 Ca -0.05 -0.40 0.05 0.00 0.42 0.00 0.00 52.86 52.88 1p98 s ASN 70 Cb 0.22 -1.11 -0.01 0.00 -1.45 0.00 0.00 41.25 38.90 1p98 s ASN 70 CO 0.78 0.03 -0.17 0.72 -3.72 0.00 0.00 177.10 174.75 1p98 s PHE 71 N -1.98 1.56 0.33 0.43 -0.12 -1.26 -4.09 117.98 112.84 1p98 s PHE 71 Ca 0.30 -0.34 -0.05 0.00 -0.05 0.00 0.00 56.93 56.79 1p98 s PHE 71 Cb -0.08 -1.02 -0.05 0.00 -0.63 0.00 0.00 43.02 41.24 1p98 s PHE 71 CO 0.21 -0.07 0.60 0.54 -0.05 0.00 0.00 175.22 176.46 1p98 s VAL 72 N -0.26 5.00 -0.37 -2.49 0.11 -0.45 -4.91 120.40 117.02 1p98 s VAL 72 Ca 0.03 0.05 -0.16 0.00 -2.93 0.00 0.00 61.98 58.97 1p98 s VAL 72 Cb -0.08 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 1p98 s VAL 72 CO 0.00 -0.45 0.39 -0.69 -3.33 0.00 0.00 175.10 171.03 1p98 s VAL 73 N -2.23 5.13 -1.09 2.04 1.01 -0.62 -1.23 120.40 123.41 1p98 s VAL 73 Ca 0.44 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.11 1p98 s VAL 73 Cb -0.10 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.41 1p98 s VAL 73 CO 0.33 -0.22 1.61 0.54 0.00 0.00 0.00 175.10 177.35 1p98 s VAL 74 N 2.07 3.90 -0.10 2.92 0.11 -0.44 -0.71 120.40 128.16 1p98 s VAL 74 Ca 0.12 -1.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.02 1p98 s VAL 74 Cb -0.17 -4.96 -0.05 0.00 -1.53 0.00 0.00 36.38 29.68 1p98 s VAL 74 CO 0.12 -1.81 0.28 -0.32 -3.33 0.00 0.00 175.10 170.04 1p98 s MET 75 N 5.07 3.89 -0.12 1.54 1.75 0.83 -4.27 119.30 127.99 1p98 s MET 75 Ca 0.52 0.12 -0.04 0.00 -1.25 0.00 0.00 55.69 55.04 1p98 s MET 75 Cb 0.00 -3.29 0.06 0.00 2.84 0.00 0.00 34.83 34.45 1p98 s MET 75 CO -0.03 0.55 0.17 0.08 -0.65 0.00 0.00 175.02 175.14 1p98 s VAL 76 N -0.50 -0.26 -0.46 10.11 1.01 -1.26 -1.04 120.40 128.00 1p98 s VAL 76 Ca 0.18 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 1p98 s VAL 76 Cb -0.14 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.85 1p98 s VAL 76 CO 0.07 0.02 1.39 0.42 0.00 0.00 0.00 175.10 177.01 1p98 s THR 77 N 2.28 3.89 0.00 3.92 -4.23 -1.26 -5.03 115.64 115.22 1p98 s THR 77 Ca 0.04 0.87 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1p98 s THR 77 Cb -0.13 -4.30 0.00 0.00 1.34 0.00 0.00 72.50 69.40 1p98 s THR 77 CO -0.07 -0.90 0.00 1.17 -0.54 0.00 0.00 174.62 174.28