#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 1.31 0.90 3.04 0.00 -1.26 -5.01 121.76 120.74 1p98 s ALA 2 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1p98 s ALA 2 Cb 0.00 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.42 1p98 s ALA 2 CO 0.00 -0.56 0.00 1.33 0.00 0.00 0.00 175.76 176.53 1p98 n VAL 3 N -0.32 0.00 -4.61 0.00 0.24 -0.76 -4.87 118.33 108.00 1p98 n VAL 3 Ca 0.01 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.01 1p98 n VAL 3 Cb 0.66 -1.86 -0.09 0.00 -1.47 0.00 0.00 33.84 31.09 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 0.21 1.60 0.07 3.34 2.01 -1.26 -2.94 115.64 118.67 1p98 s THR 4 Ca 0.00 -1.95 -0.06 0.00 0.31 0.00 0.00 61.69 59.99 1p98 s THR 4 Cb 0.00 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 1p98 s THR 4 CO 0.00 0.00 0.11 -0.63 -0.69 0.00 0.00 174.62 173.41 1p98 s ILE 5 N -2.79 0.17 -0.14 1.82 1.01 0.11 -4.34 121.20 117.04 1p98 s ILE 5 Ca 0.21 -1.36 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 1p98 s ILE 5 Cb 0.05 -1.35 0.04 0.00 0.01 0.00 0.00 42.46 41.21 1p98 s ILE 5 CO 0.11 -0.75 -0.01 -0.89 0.00 0.00 0.00 174.94 173.40 1p98 s THR 6 N -3.75 0.67 0.42 2.92 2.01 -1.26 -1.74 115.64 114.91 1p98 s THR 6 Ca 0.05 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 61.79 1p98 s THR 6 Cb 0.05 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1p98 s THR 6 CO -0.10 0.08 0.23 -0.76 -0.69 0.00 0.00 174.62 173.38 1p98 s LEU 7 N 1.83 3.13 -0.24 4.42 2.01 0.72 -0.98 118.68 129.56 1p98 s LEU 7 Ca 0.02 -1.04 -0.13 0.00 0.01 0.00 0.00 54.13 52.99 1p98 s LEU 7 Cb -0.15 -1.52 0.08 0.00 0.01 0.00 0.00 46.19 44.61 1p98 s LEU 7 CO -0.07 -0.60 0.59 -0.75 1.01 0.00 0.00 176.35 176.53 1p98 s LYS 8 N -3.97 0.59 -1.31 1.70 2.20 0.30 -1.82 119.74 117.43 1p98 s LYS 8 Ca 0.41 1.10 -0.12 0.00 -0.36 0.00 0.00 55.97 57.00 1p98 s LYS 8 Cb 0.02 0.14 0.13 0.00 -1.51 0.00 0.00 37.83 36.61 1p98 s LYS 8 CO 0.23 -0.16 1.88 0.25 -0.36 0.00 0.00 175.35 177.19 1p98 n THR 9 N 4.41 4.08 0.00 3.43 -2.24 -0.34 -0.78 114.28 122.84 1p98 n THR 9 Ca -0.20 -4.09 0.00 0.00 -2.27 0.00 0.00 64.05 57.49 1p98 n THR 9 Cb 0.57 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 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 5.08 0.00 0.00 3.22 4.32 -1.26 -3.14 117.00 125.22 1p98 n LEU 10 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 1p98 n LEU 10 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1p98 n LEU 10 CO 0.80 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.97 1p98 n GLN 11 N 0.00 0.00 -0.25 3.23 10.64 -1.26 -5.04 117.38 124.69 1p98 n GLN 11 Ca 0.00 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 1p98 n GLN 11 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 1p98 n GLN 11 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1p98 h GLN 12 N 0.00 -0.11 -6.38 2.61 4.15 -1.94 -3.41 115.11 110.03 1p98 h GLN 12 Ca 0.00 0.01 -0.61 0.00 0.77 0.00 0.00 58.65 58.82 1p98 h GLN 12 Cb 0.00 0.02 -0.13 0.00 0.21 0.00 0.00 27.48 27.58 1p98 h GLN 12 CO 0.00 -0.07 -0.71 -0.65 -1.93 0.00 0.00 178.83 175.47 1p98 s GLN 13 N -5.01 2.06 -0.18 1.69 -1.52 -1.26 -5.02 119.66 110.42 1p98 s GLN 13 Ca -0.10 -1.34 -0.08 0.00 -1.95 0.00 0.00 55.36 51.89 1p98 s GLN 13 Cb 0.08 -2.12 0.08 0.00 -0.22 0.00 0.00 33.01 30.82 1p98 s GLN 13 CO 0.49 0.41 0.41 0.99 -0.25 0.00 0.00 175.29 177.34 1p98 s THR 14 N -1.88 -0.38 0.05 -0.19 2.01 -1.26 -1.20 115.64 112.79 1p98 s THR 14 Ca 0.26 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.42 1p98 s THR 14 Cb -0.08 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 1p98 s THR 14 CO 0.16 0.06 0.04 2.22 -0.69 0.00 0.00 174.62 176.41 1p98 n PHE 15 N 4.92 -0.09 -3.81 4.92 1.16 -0.76 -5.01 117.46 118.80 1p98 n PHE 15 Ca -0.14 -0.42 -0.10 0.00 -1.87 0.00 0.00 57.45 54.91 1p98 n PHE 15 Cb 0.52 0.03 -0.08 0.00 -1.61 0.00 0.00 39.48 38.35 1p98 n PHE 15 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1p98 s LYS 16 N -2.21 0.76 0.09 3.97 1.02 -1.26 -0.20 119.74 121.91 1p98 s LYS 16 Ca 0.05 -0.65 0.03 0.00 0.02 0.00 0.00 55.97 55.43 1p98 s LYS 16 Cb 0.00 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 1p98 s LYS 16 CO 0.04 -0.24 -0.10 0.42 -0.92 0.00 0.00 175.35 174.56 1p98 s ILE 17 N -2.82 0.88 -1.07 2.17 -1.09 -0.71 -4.92 121.20 113.64 1p98 s ILE 17 Ca -0.03 -1.59 -0.04 0.00 -2.23 0.00 0.00 60.65 56.76 1p98 s ILE 17 Cb 0.00 -1.30 0.31 0.00 -1.58 0.00 0.00 42.46 39.89 1p98 s ILE 17 CO -0.05 -0.55 1.52 -1.14 -1.23 0.00 0.00 174.94 173.48 1p98 n ARG 18 N 0.63 4.58 -3.53 2.79 0.63 -1.26 0.07 116.66 120.57 1p98 n ARG 18 Ca -0.17 -4.57 -0.23 0.00 -0.92 0.00 0.00 57.85 51.97 1p98 n ARG 18 Cb 0.57 -2.50 -0.00 0.00 0.45 0.00 0.00 32.46 30.98 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 1.17 0.80 -4.90 -0.14 0.00 -1.15 -4.85 117.12 108.04 1p98 n MET 19 Ca 0.28 -2.97 -0.33 0.00 0.00 0.00 0.00 57.70 54.69 1p98 n MET 19 Cb 0.32 0.33 -0.14 0.00 0.00 0.00 0.00 33.22 33.74 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 -3.93 2.64 0.10 3.17 -6.30 -1.26 -1.84 118.70 111.28 1p98 s GLU 20 Ca 0.26 -0.71 0.08 0.00 -2.50 0.00 0.00 54.97 52.10 1p98 s GLU 20 Cb -0.02 -2.40 0.41 0.00 0.00 0.00 0.00 34.13 32.12 1p98 s GLU 20 CO 0.16 0.54 1.25 -2.30 0.02 0.00 0.00 175.26 174.94 1p98 n PRO 21 N 2.54 0.05 0.01 4.30 -0.02 -1.26 -2.02 135.00 138.60 1p98 n PRO 21 Ca -0.17 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 61.71 1p98 n PRO 21 Cb 0.52 -1.64 -0.14 0.00 -0.02 0.00 0.00 33.50 32.23 1p98 n PRO 21 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1p98 h ASP 22 N 0.00 0.09 -3.78 2.55 1.82 -1.95 0.32 116.42 115.47 1p98 h ASP 22 Ca 0.00 -0.15 -0.53 0.00 -0.39 0.00 0.00 57.03 55.96 1p98 h ASP 22 Cb 0.04 -0.03 0.21 0.00 0.68 0.00 0.00 39.33 40.23 1p98 h ASP 22 CO 0.00 1.13 -0.21 -0.62 -1.61 0.00 0.00 179.24 177.93 1p98 n GLU 23 N -3.21 -0.31 -0.34 0.28 -0.58 -0.86 -4.64 120.64 110.98 1p98 n GLU 23 Ca -0.14 -0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.56 1p98 n GLU 23 Cb 1.02 -2.09 0.12 0.00 -0.57 0.00 0.00 31.44 29.92 1p98 n GLU 23 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1p98 n THR 24 N -3.79 1.19 0.00 2.62 -2.24 -1.26 -1.64 114.28 109.16 1p98 n THR 24 Ca 0.09 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1p98 n THR 24 Cb 0.53 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.13 0.00 -0.33 2.28 0.31 -1.20 -3.01 118.33 116.51 1p98 n VAL 25 Ca 0.13 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.50 1p98 n VAL 25 Cb 0.67 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.79 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 0.19 0.92 -0.91 5.55 3.64 -1.66 0.57 116.57 124.87 1p98 h LYS 26 Ca 0.00 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1p98 h LYS 26 Cb 0.00 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.56 1p98 h LYS 26 CO 0.00 0.61 0.60 -0.24 -2.27 0.00 0.00 179.45 178.15 1p98 h VAL 27 N 0.95 1.14 -0.82 2.00 3.04 -1.86 -1.42 116.25 119.28 1p98 h VAL 27 Ca 0.43 -0.39 -0.02 0.00 -1.01 0.00 0.00 66.70 65.72 1p98 h VAL 27 Cb 0.35 -0.09 -0.04 0.00 -2.01 0.00 0.00 31.29 29.50 1p98 h VAL 27 CO -0.23 0.21 0.43 0.25 -1.01 0.00 0.00 177.57 177.21 1p98 h LEU 28 N 1.13 1.04 -0.81 3.16 5.85 -1.32 -1.20 115.31 123.16 1p98 h LEU 28 Ca 0.37 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.08 1p98 h LEU 28 Cb 0.05 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.74 1p98 h LEU 28 CO -0.12 0.85 0.44 0.11 -0.34 0.00 0.00 178.44 179.39 1p98 h LYS 29 N 1.14 0.71 -0.86 1.25 1.79 -0.18 -0.01 116.57 120.42 1p98 h LYS 29 Ca 0.29 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1p98 h LYS 29 Cb 0.06 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.51 1p98 h LYS 29 CO -0.04 0.47 0.53 0.93 -1.08 0.00 0.00 179.45 180.26 1p98 h GLU 30 N 0.73 1.15 0.23 3.15 5.08 -0.78 0.21 114.58 124.34 1p98 h GLU 30 Ca 0.40 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1p98 h GLU 30 Cb 0.41 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1p98 h GLU 30 CO -0.27 0.79 -0.11 0.87 -1.00 0.00 0.00 179.01 179.30 1p98 h LYS 31 N 1.18 -0.29 -0.93 2.33 6.56 -0.80 -0.51 116.57 124.10 1p98 h LYS 31 Ca 0.31 0.02 0.08 0.00 -1.06 0.00 0.00 60.65 60.00 1p98 h LYS 31 Cb -0.07 0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 31.59 1p98 h LYS 31 CO -0.06 0.06 0.60 0.82 -2.06 0.00 0.00 179.45 178.81 1p98 h ILE 32 N -0.93 1.02 -0.18 1.86 2.04 -1.04 0.71 117.51 120.99 1p98 h ILE 32 Ca -0.03 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1p98 h ILE 32 Cb 0.49 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1p98 h ILE 32 CO 0.05 0.18 -0.37 -0.08 0.00 0.00 0.00 178.15 177.93 1p98 h GLU 33 N 1.00 0.38 0.00 2.37 4.22 -1.00 -1.53 114.58 120.02 1p98 h GLU 33 Ca 0.42 -0.17 -0.07 0.00 0.08 0.00 0.00 59.36 59.61 1p98 h GLU 33 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1p98 h GLU 33 CO -0.18 0.70 -0.35 0.00 -2.18 0.00 0.00 179.01 177.00 1p98 h ALA 34 N 1.29 1.14 -0.03 2.92 0.00 0.77 0.70 119.26 126.05 1p98 h ALA 34 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1p98 h ALA 34 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1p98 h ALA 34 CO 0.06 0.44 -0.20 1.49 0.00 0.00 0.00 179.25 181.04 1p98 h GLU 35 N 0.00 0.20 0.00 0.00 4.81 -0.55 -3.42 114.58 115.62 1p98 h GLU 35 Ca -0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1p98 h GLU 35 Cb 0.76 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1p98 h GLU 35 CO 0.05 0.83 -0.36 1.17 -0.73 0.00 0.00 179.01 179.97 1p98 n LYS 36 N -4.55 0.22 0.00 1.92 3.00 -0.62 -5.11 118.16 113.02 1p98 n LYS 36 Ca -0.09 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1p98 n LYS 36 Cb 0.44 -0.98 0.00 0.00 0.00 0.00 0.00 35.03 34.50 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 1.63 0.00 3.14 0.00 0.24 -4.73 105.19 107.02 1p98 n GLY 37 Ca -0.05 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.86 0.12 -0.05 1.61 1.85 -1.26 -1.25 116.66 115.82 1p98 n ARG 38 Ca 0.00 0.17 -0.17 0.00 -1.00 0.00 0.00 57.85 56.85 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 -0.25 -0.01 0.00 0.00 177.63 177.37 1p98 n ASP 39 N -1.40 1.58 -0.02 2.89 9.92 -1.26 -3.61 116.55 124.65 1p98 n ASP 39 Ca 0.06 0.11 -0.01 0.00 -0.53 0.00 0.00 54.79 54.43 1p98 n ASP 39 Cb 0.17 -0.34 -0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1p98 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p98 h ALA 40 N 0.33 -0.05 -2.63 2.24 0.00 -1.80 -3.43 119.26 113.92 1p98 h ALA 40 Ca -0.46 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 53.84 1p98 h ALA 40 Cb 2.02 0.02 -0.39 0.00 0.00 0.00 0.00 17.79 19.43 1p98 h ALA 40 CO 0.03 -0.05 -0.84 -0.06 0.00 0.00 0.00 179.25 178.33 1p98 s PHE 41 N -1.61 1.83 -0.01 0.00 0.08 -0.38 -4.97 117.98 112.92 1p98 s PHE 41 Ca -0.01 -2.57 -0.30 0.00 0.12 0.00 0.00 56.93 54.17 1p98 s PHE 41 Cb 0.00 -1.49 -0.05 0.00 -0.57 0.00 0.00 43.02 40.90 1p98 s PHE 41 CO 0.02 -0.75 1.43 -1.25 -0.10 0.00 0.00 175.22 174.57 1p98 s PRO 42 N -0.27 4.27 0.54 0.24 0.04 -1.23 -4.09 135.00 134.50 1p98 s PRO 42 Ca 0.28 1.98 0.47 0.00 0.04 0.00 0.00 61.00 63.78 1p98 s PRO 42 Cb -0.03 -3.63 1.70 0.00 0.04 0.00 0.00 34.50 32.58 1p98 s PRO 42 CO -0.16 -0.62 1.59 -0.39 0.04 0.00 0.00 177.00 177.47 1p98 h VAL 43 N 5.01 0.04 0.12 -0.36 -1.51 -1.89 0.14 116.25 117.80 1p98 h VAL 43 Ca -0.37 -0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1p98 h VAL 43 Cb 1.17 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 1p98 h VAL 43 CO 0.91 0.00 -0.18 0.00 -1.23 0.00 0.00 177.57 177.07 1p98 h ALA 44 N 1.12 -0.81 -0.58 5.19 0.00 -1.97 -3.13 119.26 119.08 1p98 h ALA 44 Ca 0.90 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.63 1p98 h ALA 44 Cb 3.54 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 21.76 1p98 h ALA 44 CO -0.07 -0.84 0.16 0.41 0.00 0.00 0.00 179.25 178.91 1p98 n GLY 45 N -1.19 3.14 2.59 0.00 0.00 -0.12 -4.74 105.19 104.86 1p98 n GLY 45 Ca -0.04 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1p98 n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p98 n GLN 46 N 0.11 3.44 -1.95 1.61 6.02 -0.30 -3.83 117.38 122.49 1p98 n GLN 46 Ca 0.31 -2.71 -0.32 0.00 -0.01 0.00 0.00 57.00 54.28 1p98 n GLN 46 Cb 1.18 -3.00 0.02 0.00 1.02 0.00 0.00 30.24 29.45 1p98 n GLN 46 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1p98 s LYS 47 N 1.95 3.31 0.05 -1.09 1.02 0.10 -4.83 119.74 120.26 1p98 s LYS 47 Ca 0.54 1.07 0.04 0.00 0.02 0.00 0.00 55.97 57.64 1p98 s LYS 47 Cb 0.15 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.40 1p98 s LYS 47 CO -0.07 -0.80 -0.12 -0.51 -0.92 0.00 0.00 175.35 172.93 1p98 s LEU 48 N -4.78 2.23 -0.20 3.17 1.02 -0.93 -0.23 118.68 118.97 1p98 s LEU 48 Ca 0.61 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.23 1p98 s LEU 48 Cb -0.14 -0.41 0.05 0.00 0.02 0.00 0.00 46.19 45.70 1p98 s LEU 48 CO 0.42 -0.09 -0.07 -0.63 0.02 0.00 0.00 176.35 176.01 1p98 s ILE 49 N -1.16 1.40 -0.22 -0.59 -1.09 0.18 -1.04 121.20 118.68 1p98 s ILE 49 Ca -0.04 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.48 1p98 s ILE 49 Cb -0.09 -1.57 0.04 0.00 -1.58 0.00 0.00 42.46 39.26 1p98 s ILE 49 CO 0.01 0.08 -0.15 -0.47 -1.23 0.00 0.00 174.94 173.19 1p98 s TYR 50 N 1.49 2.98 -0.97 3.97 5.04 -0.08 -1.67 117.35 128.10 1p98 s TYR 50 Ca -0.02 -1.97 -0.01 0.00 -2.44 0.00 0.00 57.07 52.63 1p98 s TYR 50 Cb -0.17 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.25 1p98 s TYR 50 CO -0.08 -0.84 0.08 0.00 -1.34 0.00 0.00 175.55 173.37 1p98 n ALA 51 N 4.54 -0.39 0.00 3.97 0.00 -1.26 -2.04 120.51 125.32 1p98 n ALA 51 Ca -0.17 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1p98 n ALA 51 Cb 0.46 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.05 2.54 3.93 0.00 0.00 -1.26 -5.02 105.19 104.32 1p98 n GLY 52 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.17 2.94 0.13 1.61 3.01 -0.87 -5.06 119.74 121.34 1p98 s LYS 53 Ca 0.00 -0.16 0.07 0.00 -1.01 0.00 0.00 55.97 54.87 1p98 s LYS 53 Cb 0.00 -2.36 -0.04 0.00 -1.01 0.00 0.00 37.83 34.42 1p98 s LYS 53 CO 0.00 -0.59 -0.05 0.42 0.51 0.00 0.00 175.35 175.64 1p98 s ILE 54 N -2.87 3.58 -0.05 2.17 -1.09 -1.26 -0.91 121.20 120.77 1p98 s ILE 54 Ca 0.52 -1.31 -0.03 0.00 -2.23 0.00 0.00 60.65 57.61 1p98 s ILE 54 Cb -0.10 -2.73 0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1p98 s ILE 54 CO 0.43 0.02 0.12 -1.48 -1.23 0.00 0.00 174.94 172.80 1p98 s LEU 55 N -2.52 1.13 0.45 2.97 2.34 -0.21 -4.92 118.68 117.92 1p98 s LEU 55 Ca 0.24 0.24 0.07 0.00 0.06 0.00 0.00 54.13 54.75 1p98 s LEU 55 Cb -0.10 0.32 -0.01 0.00 -0.56 0.00 0.00 46.19 45.84 1p98 s LEU 55 CO 0.16 -0.10 0.39 -0.55 -1.06 0.00 0.00 176.35 175.20 1p98 s SER 56 N 0.68 4.93 0.36 1.48 0.15 -1.26 -2.20 113.70 117.83 1p98 s SER 56 Ca -0.05 -0.87 0.25 0.00 0.70 0.00 0.00 55.95 55.97 1p98 s SER 56 Cb -0.07 -0.32 1.29 0.00 -1.71 0.00 0.00 66.02 65.20 1p98 s SER 56 CO -0.03 -0.77 1.75 -2.24 1.20 0.00 0.00 173.24 173.15 1p98 h ASP 57 N 0.96 0.00 0.17 5.45 3.04 -1.87 -1.99 116.42 122.18 1p98 h ASP 57 Ca -0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 1p98 h ASP 57 Cb 1.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 1p98 h ASP 57 CO 0.57 0.00 -0.84 0.47 -2.04 0.00 0.00 179.24 177.40 1p98 n ASP 58 N -2.37 0.83 -4.90 4.15 8.00 -1.21 -1.97 116.55 119.08 1p98 n ASP 58 Ca -0.01 -0.74 -0.29 0.00 0.71 0.00 0.00 54.79 54.45 1p98 n ASP 58 Cb 0.07 0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 41.89 1p98 n ASP 58 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1p98 s VAL 59 N -3.00 5.06 0.20 2.53 -7.23 -0.75 -4.89 120.40 112.32 1p98 s VAL 59 Ca 0.09 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.02 1p98 s VAL 59 Cb 0.16 -3.69 -0.08 0.00 0.56 0.00 0.00 36.38 33.33 1p98 s VAL 59 CO 0.81 -0.20 0.99 -2.16 -0.31 0.00 0.00 175.10 174.24 1p98 s PRO 60 N -3.24 4.75 0.42 4.82 0.05 -1.26 -3.26 135.00 137.29 1p98 s PRO 60 Ca 0.43 1.55 0.08 0.00 0.05 0.00 0.00 61.00 63.12 1p98 s PRO 60 Cb -0.11 -3.29 0.91 0.00 0.05 0.00 0.00 34.50 32.06 1p98 s PRO 60 CO 0.27 0.34 2.07 0.82 0.05 0.00 0.00 177.00 180.55 1p98 h ILE 61 N 3.46 1.09 -0.08 0.56 1.08 -1.36 -1.48 117.51 120.78 1p98 h ILE 61 Ca -0.45 -0.18 -0.07 0.00 -0.39 0.00 0.00 64.86 63.77 1p98 h ILE 61 Cb 1.21 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 1p98 h ILE 61 CO 0.69 0.09 -0.26 -0.09 -0.69 0.00 0.00 178.15 177.90 1p98 h ARG 62 N 0.47 0.13 0.00 2.37 2.43 -0.60 -1.86 114.38 117.32 1p98 h ARG 62 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1p98 h ARG 62 Cb -0.04 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1p98 h ARG 62 CO -0.03 0.39 -0.03 0.22 -1.51 0.00 0.00 179.97 179.01 1p98 h ASP 63 N 0.12 0.00 -0.35 -3.80 3.58 -1.54 -1.28 116.42 113.15 1p98 h ASP 63 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1p98 h ASP 63 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1p98 h ASP 63 CO 0.04 0.03 0.00 -1.22 -2.88 0.00 0.00 179.24 175.21 1p98 n TYR 64 N -4.22 1.01 -4.19 0.28 4.02 -0.75 -4.99 117.16 108.33 1p98 n TYR 64 Ca -0.03 -0.75 -0.32 0.00 -0.01 0.00 0.00 57.90 56.79 1p98 n TYR 64 Cb 0.12 -0.27 -0.08 0.00 -0.02 0.00 0.00 39.34 39.09 1p98 n TYR 64 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1p98 n ARG 65 N 0.00 -0.87 -2.50 -0.72 0.63 -0.49 -4.78 116.66 107.95 1p98 n ARG 65 Ca 0.20 0.10 -0.40 0.00 -0.92 0.00 0.00 57.85 56.83 1p98 n ARG 65 Cb 0.82 -3.63 -0.03 0.00 0.45 0.00 0.00 32.46 30.07 1p98 n ARG 65 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1p98 s ILE 66 N -3.80 3.75 0.22 5.15 1.01 -1.11 -4.96 121.20 121.46 1p98 s ILE 66 Ca 0.29 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1p98 s ILE 66 Cb -0.17 -4.86 -0.03 0.00 0.01 0.00 0.00 42.46 37.41 1p98 s ILE 66 CO 0.92 -1.78 0.37 1.51 0.00 0.00 0.00 174.94 175.95 1p98 s ASP 67 N 4.62 6.33 0.41 3.58 -4.77 -1.26 -4.92 116.67 120.66 1p98 s ASP 67 Ca 0.42 0.20 0.12 0.00 -3.30 0.00 0.00 52.55 49.99 1p98 s ASP 67 Cb -0.06 -1.92 0.87 0.00 -1.09 0.00 0.00 42.92 40.72 1p98 s ASP 67 CO 0.07 -0.06 1.94 1.05 0.70 0.00 0.00 175.17 178.87 1p98 h GLU 68 N 1.53 0.13 0.00 2.11 9.09 -1.93 -2.27 114.58 123.24 1p98 h GLU 68 Ca -0.50 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 58.88 1p98 h GLU 68 Cb 1.21 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1p98 h GLU 68 CO 0.64 0.30 -0.02 0.87 0.05 0.00 0.00 179.01 180.85 1p98 h LYS 69 N 0.12 0.00 0.00 1.06 6.56 -1.96 -3.43 116.57 118.93 1p98 h LYS 69 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1p98 h LYS 69 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1p98 h LYS 69 CO 0.02 0.02 0.00 -1.71 -2.06 0.00 0.00 179.45 175.72 1p98 n ASN 70 N -4.04 0.32 -3.64 0.86 4.05 -0.85 -5.16 115.26 106.80 1p98 n ASN 70 Ca -0.03 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.95 1p98 n ASN 70 Cb 0.10 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.05 1p98 n ASN 70 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1p98 s PHE 71 N 2.20 -0.20 0.31 1.20 -0.12 -1.25 -4.50 117.98 115.61 1p98 s PHE 71 Ca 0.00 0.48 0.06 0.00 -0.05 0.00 0.00 56.93 57.42 1p98 s PHE 71 Cb 0.00 0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 1p98 s PHE 71 CO 0.00 -0.11 0.45 0.54 -0.05 0.00 0.00 175.22 176.05 1p98 s VAL 72 N -0.06 4.46 -0.34 -2.49 0.11 -0.15 -4.88 120.40 117.06 1p98 s VAL 72 Ca 0.06 -0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 58.06 1p98 s VAL 72 Cb -0.04 -3.56 0.01 0.00 -1.53 0.00 0.00 36.38 31.25 1p98 s VAL 72 CO -0.11 -0.23 0.16 -0.69 -3.33 0.00 0.00 175.10 170.90 1p98 s VAL 73 N -2.14 4.47 -0.90 2.04 1.01 -0.67 -0.54 120.40 123.67 1p98 s VAL 73 Ca 0.42 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 1p98 s VAL 73 Cb -0.09 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1p98 s VAL 73 CO 0.31 -0.07 1.58 0.54 0.00 0.00 0.00 175.10 177.46 1p98 s VAL 74 N 1.56 3.72 -0.04 2.92 0.11 0.04 -0.65 120.40 128.05 1p98 s VAL 74 Ca 0.03 -0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 58.56 1p98 s VAL 74 Cb -0.18 -4.67 -0.05 0.00 -1.53 0.00 0.00 36.38 29.94 1p98 s VAL 74 CO 0.06 -1.59 0.40 -0.32 -3.33 0.00 0.00 175.10 170.32 1p98 s MET 75 N 5.80 4.02 -0.02 1.54 0.00 0.68 -4.49 119.30 126.84 1p98 s MET 75 Ca 0.52 0.37 0.01 0.00 0.00 0.00 0.00 55.69 56.59 1p98 s MET 75 Cb -0.04 -3.28 0.01 0.00 0.00 0.00 0.00 34.83 31.52 1p98 s MET 75 CO -0.00 0.54 -0.03 0.08 0.00 0.00 0.00 175.02 175.60 1p98 s VAL 76 N -0.58 0.38 -0.13 10.11 1.01 -1.25 -0.72 120.40 129.23 1p98 s VAL 76 Ca 0.23 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1p98 s VAL 76 Cb -0.16 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1p98 s VAL 76 CO 0.11 0.16 -0.13 -0.89 0.00 0.00 0.00 175.10 174.35 1p98 s THR 77 N 0.53 1.42 -1.67 3.92 2.01 -1.26 -5.07 115.64 115.53 1p98 s THR 77 Ca -0.06 -0.56 0.13 0.00 0.31 0.00 0.00 61.69 61.52 1p98 s THR 77 Cb -0.09 -1.34 0.11 0.00 0.01 0.00 0.00 72.50 71.18 1p98 s THR 77 CO -0.00 0.43 0.92 1.17 -0.69 0.00 0.00 174.62 176.45