#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p98 n ALA 2 N 0.00 -3.71 -1.81 -5.12 0.00 -1.26 -4.89 120.51 103.72 1p98 n ALA 2 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1p98 n ALA 2 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1p98 n ALA 2 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1p98 n VAL 3 N -4.14 0.00 -4.30 0.00 0.24 -0.74 -4.94 118.33 104.45 1p98 n VAL 3 Ca -0.02 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.02 1p98 n VAL 3 Cb 0.67 -1.28 -0.08 0.00 -1.47 0.00 0.00 33.84 31.68 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 1.30 2.06 0.15 3.34 2.01 -1.26 -2.93 115.64 120.31 1p98 s THR 4 Ca 0.00 -1.79 -0.06 0.00 0.31 0.00 0.00 61.69 60.15 1p98 s THR 4 Cb 0.00 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1p98 s THR 4 CO 0.00 0.00 0.20 -0.63 -0.69 0.00 0.00 174.62 173.50 1p98 s ILE 5 N -2.67 0.09 -0.03 1.82 1.01 0.12 -4.10 121.20 117.44 1p98 s ILE 5 Ca 0.35 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1p98 s ILE 5 Cb 0.05 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.69 1p98 s ILE 5 CO 0.19 -0.39 0.01 -0.89 0.00 0.00 0.00 174.94 173.86 1p98 s THR 6 N -3.98 0.11 0.26 2.92 2.01 -1.26 -1.80 115.64 113.90 1p98 s THR 6 Ca 0.18 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1p98 s THR 6 Cb 0.05 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 1p98 s THR 6 CO -0.01 0.14 0.11 -0.76 -0.69 0.00 0.00 174.62 173.41 1p98 s LEU 7 N 1.17 1.61 0.33 4.42 2.01 0.23 -1.51 118.68 126.95 1p98 s LEU 7 Ca -0.08 -1.42 0.03 0.00 0.01 0.00 0.00 54.13 52.68 1p98 s LEU 7 Cb -0.13 0.07 -0.04 0.00 0.01 0.00 0.00 46.19 46.10 1p98 s LEU 7 CO -0.02 -0.77 0.13 -0.75 1.01 0.00 0.00 176.35 175.95 1p98 s LYS 8 N -4.00 1.67 0.00 1.70 2.20 -0.30 -0.70 119.74 120.31 1p98 s LYS 8 Ca 0.37 -1.97 0.06 0.00 -0.36 0.00 0.00 55.97 54.08 1p98 s LYS 8 Cb 0.07 -0.38 0.10 0.00 -1.51 0.00 0.00 37.83 36.12 1p98 s LYS 8 CO 0.14 -0.40 0.90 0.25 -0.36 0.00 0.00 175.35 175.89 1p98 n THR 9 N -0.67 0.47 0.00 3.43 -2.24 0.76 -0.87 114.28 115.15 1p98 n THR 9 Ca -0.01 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1p98 n THR 9 Cb 0.65 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.21 0.00 0.01 3.22 7.99 -1.26 -4.65 117.00 122.53 1p98 n LEU 10 Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.03 1p98 n LEU 10 Cb 0.24 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.45 1p98 n LEU 10 CO 0.04 0.00 -0.40 1.67 -1.51 0.00 0.00 177.39 177.19 1p98 n GLN 11 N 0.00 0.63 0.00 3.23 7.27 -1.26 -4.98 117.38 122.26 1p98 n GLN 11 Ca 0.00 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.27 1p98 n GLN 11 Cb 0.00 -1.78 0.00 0.00 2.41 0.00 0.00 30.24 30.87 1p98 n GLN 11 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1p98 n GLN 12 N -2.88 0.00 -1.68 3.69 1.13 -1.26 -5.14 117.38 111.24 1p98 n GLN 12 Ca -0.12 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.50 1p98 n GLN 12 Cb 0.88 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 31.19 1p98 n GLN 12 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1p98 n GLN 13 N 0.00 2.57 -3.92 -1.09 6.02 -1.26 -4.72 117.38 114.99 1p98 n GLN 13 Ca 0.00 0.94 -0.28 0.00 -0.01 0.00 0.00 57.00 57.65 1p98 n GLN 13 Cb 0.00 -2.80 -0.17 0.00 1.02 0.00 0.00 30.24 28.29 1p98 n GLN 13 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1p98 s THR 14 N 2.65 1.16 -0.02 5.09 2.01 -1.26 -0.17 115.64 125.10 1p98 s THR 14 Ca 0.83 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1p98 s THR 14 Cb -0.55 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 70.72 1p98 s THR 14 CO 0.40 0.27 -0.08 0.72 -0.69 0.00 0.00 174.62 175.23 1p98 s PHE 15 N 1.63 0.85 0.20 4.92 -0.12 0.12 -4.93 117.98 120.66 1p98 s PHE 15 Ca 0.03 -0.20 -0.02 0.00 -0.05 0.00 0.00 56.93 56.69 1p98 s PHE 15 Cb -0.14 -0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 41.60 1p98 s PHE 15 CO -0.08 -0.08 0.41 0.15 -0.05 0.00 0.00 175.22 175.57 1p98 s LYS 16 N 0.13 3.56 0.19 1.99 1.02 -1.26 -0.60 119.74 124.77 1p98 s LYS 16 Ca -0.02 -0.22 0.06 0.00 0.02 0.00 0.00 55.97 55.81 1p98 s LYS 16 Cb -0.07 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1p98 s LYS 16 CO 0.00 0.39 -0.12 0.42 -0.92 0.00 0.00 175.35 175.12 1p98 s ILE 17 N -1.85 1.52 -0.96 2.17 -1.09 -0.75 -4.91 121.20 115.33 1p98 s ILE 17 Ca 0.40 -2.15 -0.01 0.00 -2.23 0.00 0.00 60.65 56.65 1p98 s ILE 17 Cb -0.11 -2.00 0.29 0.00 -1.58 0.00 0.00 42.46 39.06 1p98 s ILE 17 CO 0.28 -0.63 1.27 -1.14 -1.23 0.00 0.00 174.94 173.49 1p98 n ARG 18 N -0.32 3.92 -3.43 2.79 0.63 -1.26 0.13 116.66 119.11 1p98 n ARG 18 Ca -0.09 -4.59 -0.21 0.00 -0.92 0.00 0.00 57.85 52.05 1p98 n ARG 18 Cb 0.61 -2.44 -0.01 0.00 0.45 0.00 0.00 32.46 31.06 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 1.24 0.95 -4.66 -0.14 0.00 -1.15 -4.86 117.12 108.50 1p98 n MET 19 Ca 0.27 -2.59 -0.34 0.00 0.00 0.00 0.00 57.70 55.04 1p98 n MET 19 Cb 0.35 0.40 -0.12 0.00 0.00 0.00 0.00 33.22 33.86 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 -3.58 2.81 0.00 3.17 2.12 -1.26 -1.79 118.70 120.17 1p98 s GLU 20 Ca 0.16 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.97 1p98 s GLU 20 Cb -0.01 -2.58 0.20 0.00 0.26 0.00 0.00 34.13 32.00 1p98 s GLU 20 CO 0.10 0.61 1.14 -2.30 -0.54 0.00 0.00 175.26 174.27 1p98 n PRO 21 N 2.39 0.00 -0.01 4.30 -0.02 -1.26 -1.85 135.00 138.56 1p98 n PRO 21 Ca -0.18 0.41 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 1p98 n PRO 21 Cb 0.53 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.39 1p98 n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1p98 n ASP 22 N -1.49 0.47 -4.53 2.55 8.00 -1.26 -0.81 116.55 119.48 1p98 n ASP 22 Ca 0.01 0.21 -0.31 0.00 0.71 0.00 0.00 54.79 55.41 1p98 n ASP 22 Cb 0.05 0.71 0.16 0.00 -0.02 0.00 0.00 41.12 42.02 1p98 n ASP 22 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1p98 n GLU 23 N -2.74 -0.72 -0.40 -1.24 -0.58 -0.77 -4.63 120.64 109.55 1p98 n GLU 23 Ca -0.15 -0.16 -0.01 0.00 -0.42 0.00 0.00 57.16 56.42 1p98 n GLU 23 Cb 0.89 -2.13 0.14 0.00 -0.57 0.00 0.00 31.44 29.77 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 -4.13 1.35 0.00 2.62 -2.24 -1.26 -1.65 114.28 108.97 1p98 n THR 24 Ca 0.08 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1p98 n THR 24 Cb 0.53 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.31 2.28 0.31 -1.18 -2.81 118.33 116.75 1p98 n VAL 25 Ca 0.15 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.50 1p98 n VAL 25 Cb 0.74 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.87 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 0.35 1.10 -0.77 5.55 3.64 -1.47 0.02 116.57 124.99 1p98 h LYS 26 Ca 0.00 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1p98 h LYS 26 Cb 0.00 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.53 1p98 h LYS 26 CO 0.00 0.73 0.51 -0.24 -2.27 0.00 0.00 179.45 178.17 1p98 h VAL 27 N 1.13 1.15 -0.77 2.00 3.04 -1.85 -1.66 116.25 119.30 1p98 h VAL 27 Ca 0.36 -0.34 -0.06 0.00 -1.01 0.00 0.00 66.70 65.66 1p98 h VAL 27 Cb 0.03 0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 29.36 1p98 h VAL 27 CO -0.11 0.18 0.26 0.25 -1.01 0.00 0.00 177.57 177.13 1p98 h LEU 28 N 0.98 1.10 -0.72 3.16 5.85 -1.41 -1.83 115.31 122.43 1p98 h LEU 28 Ca 0.30 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1p98 h LEU 28 Cb -0.02 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 40.66 1p98 h LEU 28 CO -0.08 1.01 0.37 0.11 -0.34 0.00 0.00 178.44 179.51 1p98 h LYS 29 N 1.14 0.62 -0.90 1.25 1.79 -0.37 0.46 116.57 120.55 1p98 h LYS 29 Ca 0.25 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1p98 h LYS 29 Cb 0.29 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 1p98 h LYS 29 CO -0.01 0.41 0.59 0.93 -1.08 0.00 0.00 179.45 180.28 1p98 h GLU 30 N 0.63 1.19 0.26 3.15 5.08 -0.89 -0.13 114.58 123.88 1p98 h GLU 30 Ca 0.35 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1p98 h GLU 30 Cb 0.35 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1p98 h GLU 30 CO -0.26 0.80 -0.12 0.87 -1.00 0.00 0.00 179.01 179.29 1p98 h LYS 31 N 1.23 -0.34 -0.94 2.33 6.56 -0.79 -0.49 116.57 124.12 1p98 h LYS 31 Ca 0.33 0.02 0.13 0.00 -1.06 0.00 0.00 60.65 60.07 1p98 h LYS 31 Cb -0.13 0.08 -0.09 0.00 -0.57 0.00 0.00 32.23 31.52 1p98 h LYS 31 CO -0.07 -0.01 0.57 0.82 -2.06 0.00 0.00 179.45 178.69 1p98 h ILE 32 N -0.96 0.86 -0.10 1.86 2.04 -0.97 0.11 117.51 120.35 1p98 h ILE 32 Ca -0.04 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 1p98 h ILE 32 Cb 0.48 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1p98 h ILE 32 CO 0.06 0.16 -0.44 -0.08 0.00 0.00 0.00 178.15 177.85 1p98 h GLU 33 N 0.87 0.23 0.00 2.37 4.22 -1.07 -1.50 114.58 119.70 1p98 h GLU 33 Ca 0.48 -0.11 -0.08 0.00 0.08 0.00 0.00 59.36 59.73 1p98 h GLU 33 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1p98 h GLU 33 CO -0.29 0.63 -0.38 0.00 -2.18 0.00 0.00 179.01 176.79 1p98 h ALA 34 N 1.36 1.05 -0.02 2.92 0.00 0.79 0.55 119.26 125.90 1p98 h ALA 34 Ca 0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1p98 h ALA 34 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1p98 h ALA 34 CO 0.07 0.47 -0.22 1.49 0.00 0.00 0.00 179.25 181.06 1p98 h GLU 35 N 0.00 0.18 0.00 0.00 4.81 -0.45 -3.42 114.58 115.70 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 0.85 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1p98 h GLU 35 CO 0.05 0.87 -0.45 1.17 -0.73 0.00 0.00 179.01 179.92 1p98 n LYS 36 N -4.54 0.25 0.00 1.92 0.00 -0.61 -5.11 118.16 110.08 1p98 n LYS 36 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 58.31 58.36 1p98 n LYS 36 Cb 0.47 -0.98 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 1.51 1.19 0.00 3.14 0.00 0.19 -4.77 105.19 106.45 1p98 n GLY 37 Ca -0.06 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.90 0.00 -0.01 1.61 1.85 -1.26 -1.31 116.66 115.64 1p98 n ARG 38 Ca 0.00 0.18 -0.14 0.00 -1.00 0.00 0.00 57.85 56.89 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 -1.50 1.40 -0.05 2.89 9.92 -1.26 -3.64 116.55 124.31 1p98 n ASP 39 Ca 0.04 0.32 -0.02 0.00 -0.53 0.00 0.00 54.79 54.61 1p98 n ASP 39 Cb 0.21 -0.39 -0.01 0.00 -0.64 0.00 0.00 41.12 40.30 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 0.60 0.00 -2.66 2.24 0.00 -1.82 -3.45 119.26 114.18 1p98 h ALA 40 Ca -0.35 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 1p98 h ALA 40 Cb 2.03 0.17 -0.39 0.00 0.00 0.00 0.00 17.79 19.60 1p98 h ALA 40 CO 0.08 0.17 -0.84 -0.06 0.00 0.00 0.00 179.25 178.61 1p98 s PHE 41 N -1.69 1.45 -0.08 0.00 0.08 -0.43 -4.95 117.98 112.37 1p98 s PHE 41 Ca -0.05 -2.25 -0.30 0.00 0.12 0.00 0.00 56.93 54.46 1p98 s PHE 41 Cb 0.01 -1.34 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1p98 s PHE 41 CO 0.07 -0.79 1.13 -1.25 -0.10 0.00 0.00 175.22 174.29 1p98 s PRO 42 N 0.27 4.37 0.53 0.24 0.04 -1.24 -4.01 135.00 135.20 1p98 s PRO 42 Ca 0.24 1.57 0.47 0.00 0.04 0.00 0.00 61.00 63.32 1p98 s PRO 42 Cb -0.12 -3.56 1.67 0.00 0.04 0.00 0.00 34.50 32.54 1p98 s PRO 42 CO -0.08 -0.41 1.53 1.33 0.04 0.00 0.00 177.00 179.41 1p98 n VAL 43 N 4.61 -0.04 0.23 -0.36 0.24 -1.26 -0.53 118.33 121.22 1p98 n VAL 43 Ca 0.10 1.51 -0.11 0.00 -2.04 0.00 0.00 64.34 63.81 1p98 n VAL 43 Cb 0.47 -2.51 -0.05 0.00 -1.47 0.00 0.00 33.84 30.27 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 1.07 -1.09 -0.01 2.33 0.00 -1.97 -3.18 119.26 116.41 1p98 h ALA 44 Ca 0.92 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.69 1p98 h ALA 44 Cb 3.59 0.41 0.00 0.00 0.00 0.00 0.00 17.79 21.79 1p98 h ALA 44 CO -0.08 -1.07 -0.03 0.41 0.00 0.00 0.00 179.25 178.48 1p98 n GLY 45 N -1.34 -0.38 3.56 0.00 0.00 0.07 -4.81 105.19 102.28 1p98 n GLY 45 Ca -0.08 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.09 2.19 0.31 1.61 -0.21 0.31 -4.30 119.66 117.48 1p98 s GLN 46 Ca 0.38 0.12 0.04 0.00 0.02 0.00 0.00 55.36 55.92 1p98 s GLN 46 Cb 0.21 -4.90 -0.02 0.00 1.00 0.00 0.00 33.01 29.30 1p98 s GLN 46 CO 0.37 -3.73 0.46 0.15 -2.12 0.00 0.00 175.29 170.43 1p98 s LYS 47 N 7.76 3.34 0.01 2.91 3.01 -0.08 -4.65 119.74 132.04 1p98 s LYS 47 Ca 0.79 -0.69 -0.01 0.00 -1.01 0.00 0.00 55.97 55.06 1p98 s LYS 47 Cb -0.10 -2.78 -0.01 0.00 -1.01 0.00 0.00 37.83 33.92 1p98 s LYS 47 CO 0.05 0.20 -0.01 -0.51 0.51 0.00 0.00 175.35 175.59 1p98 s LEU 48 N -4.17 2.13 -0.19 3.17 1.02 -0.90 -0.46 118.68 119.27 1p98 s LEU 48 Ca 0.39 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.16 1p98 s LEU 48 Cb -0.09 0.14 0.04 0.00 0.02 0.00 0.00 46.19 46.30 1p98 s LEU 48 CO 0.32 -0.26 -0.08 -0.63 0.02 0.00 0.00 176.35 175.72 1p98 s ILE 49 N -1.21 1.47 -0.21 -0.59 -1.09 0.16 -0.90 121.20 118.84 1p98 s ILE 49 Ca -0.13 -0.91 0.02 0.00 -2.23 0.00 0.00 60.65 57.40 1p98 s ILE 49 Cb -0.08 -1.59 0.04 0.00 -1.58 0.00 0.00 42.46 39.24 1p98 s ILE 49 CO -0.01 0.14 -0.15 -0.47 -1.23 0.00 0.00 174.94 173.22 1p98 s TYR 50 N 1.47 2.83 -1.01 3.97 5.04 -0.19 -2.18 117.35 127.28 1p98 s TYR 50 Ca -0.01 -1.83 -0.01 0.00 -2.44 0.00 0.00 57.07 52.79 1p98 s TYR 50 Cb -0.16 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.30 1p98 s TYR 50 CO -0.08 -0.81 0.09 0.00 -1.34 0.00 0.00 175.55 173.41 1p98 n ALA 51 N 4.58 -0.41 0.00 3.97 0.00 -1.26 -2.00 120.51 125.39 1p98 n ALA 51 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1p98 n ALA 51 Cb 0.47 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.06 2.52 3.94 0.00 0.00 -1.26 -5.02 105.19 104.30 1p98 n GLY 52 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 2.69 0.16 1.61 3.01 -0.85 -5.06 119.74 121.14 1p98 s LYS 53 Ca 0.00 -0.32 0.08 0.00 -1.01 0.00 0.00 55.97 54.73 1p98 s LYS 53 Cb 0.00 -2.34 -0.04 0.00 -1.01 0.00 0.00 37.83 34.43 1p98 s LYS 53 CO 0.00 -0.76 -0.09 0.42 0.51 0.00 0.00 175.35 175.43 1p98 s ILE 54 N -2.93 3.27 -0.08 2.17 -1.09 -1.26 -1.02 121.20 120.26 1p98 s ILE 54 Ca 0.55 -1.55 -0.07 0.00 -2.23 0.00 0.00 60.65 57.35 1p98 s ILE 54 Cb -0.10 -2.60 0.02 0.00 -1.58 0.00 0.00 42.46 38.20 1p98 s ILE 54 CO 0.42 -0.06 0.20 -1.48 -1.23 0.00 0.00 174.94 172.80 1p98 s LEU 55 N -2.69 1.12 0.48 2.97 2.34 -0.08 -4.91 118.68 117.91 1p98 s LEU 55 Ca 0.24 0.41 0.06 0.00 0.06 0.00 0.00 54.13 54.91 1p98 s LEU 55 Cb -0.09 0.68 -0.01 0.00 -0.56 0.00 0.00 46.19 46.21 1p98 s LEU 55 CO 0.15 -0.08 0.29 -0.55 -1.06 0.00 0.00 176.35 175.10 1p98 s SER 56 N 0.27 4.58 0.37 1.48 0.15 -1.26 -2.13 113.70 117.16 1p98 s SER 56 Ca -0.01 -1.15 0.26 0.00 0.70 0.00 0.00 55.95 55.74 1p98 s SER 56 Cb -0.03 -0.03 1.35 0.00 -1.71 0.00 0.00 66.02 65.61 1p98 s SER 56 CO -0.01 -0.82 1.79 -2.24 1.20 0.00 0.00 173.24 173.15 1p98 h ASP 57 N 1.07 0.00 0.08 5.45 3.04 -1.83 -1.99 116.42 122.25 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 1.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 1p98 h ASP 57 CO 0.63 0.00 -0.98 -0.67 -2.04 0.00 0.00 179.24 176.18 1p98 n ASP 58 N -2.40 0.87 -4.88 4.15 2.03 -1.20 -1.33 116.55 113.78 1p98 n ASP 58 Ca -0.01 -0.82 -0.31 0.00 0.52 0.00 0.00 54.79 54.16 1p98 n ASP 58 Cb 0.07 0.94 -0.05 0.00 -0.72 0.00 0.00 41.12 41.35 1p98 n ASP 58 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1p98 s VAL 59 N -3.03 4.96 0.26 5.18 -7.23 -0.75 -4.87 120.40 114.92 1p98 s VAL 59 Ca 0.08 0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 60.33 1p98 s VAL 59 Cb 0.16 -3.64 -0.09 0.00 0.56 0.00 0.00 36.38 33.37 1p98 s VAL 59 CO 0.85 -0.11 1.03 -2.16 -0.31 0.00 0.00 175.10 174.40 1p98 s PRO 60 N -2.93 4.73 0.38 4.82 0.05 -1.26 -3.11 135.00 137.68 1p98 s PRO 60 Ca 0.46 1.67 0.06 0.00 0.05 0.00 0.00 61.00 63.25 1p98 s PRO 60 Cb -0.11 -3.22 0.76 0.00 0.05 0.00 0.00 34.50 31.98 1p98 s PRO 60 CO 0.23 0.34 1.99 0.82 0.05 0.00 0.00 177.00 180.42 1p98 h ILE 61 N 3.11 1.14 -0.19 0.56 1.08 -1.42 -1.75 117.51 120.04 1p98 h ILE 61 Ca -0.46 -0.43 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 1p98 h ILE 61 Cb 1.21 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 1p98 h ILE 61 CO 0.67 0.17 0.01 -0.09 -0.69 0.00 0.00 178.15 178.23 1p98 h ARG 62 N 0.52 0.27 -0.01 2.37 2.43 -1.23 -1.06 114.38 117.67 1p98 h ARG 62 Ca 0.13 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1p98 h ARG 62 Cb 0.10 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1p98 h ARG 62 CO -0.01 0.28 0.01 0.22 -1.51 0.00 0.00 179.97 178.96 1p98 h ASP 63 N 0.27 0.00 -0.10 -3.80 3.58 -1.61 -1.46 116.42 113.30 1p98 h ASP 63 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1p98 h ASP 63 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1p98 h ASP 63 CO 0.00 0.00 0.00 -1.22 -2.88 0.00 0.00 179.24 175.14 1p98 n TYR 64 N -4.06 0.37 -3.97 0.28 4.02 -0.51 -5.00 117.16 108.29 1p98 n TYR 64 Ca -0.03 -0.95 -0.33 0.00 -0.01 0.00 0.00 57.90 56.59 1p98 n TYR 64 Cb 0.10 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.14 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 -1.06 -0.80 -2.34 -0.72 0.63 -0.54 -4.74 116.66 107.09 1p98 n ARG 65 Ca 0.18 0.11 -0.35 0.00 -0.92 0.00 0.00 57.85 56.87 1p98 n ARG 65 Cb 0.73 -3.64 -0.04 0.00 0.45 0.00 0.00 32.46 29.97 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 -3.08 3.73 0.35 5.15 1.01 -1.01 -4.93 121.20 122.42 1p98 s ILE 66 Ca 0.54 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 1p98 s ILE 66 Cb -0.32 -4.63 -0.04 0.00 0.01 0.00 0.00 42.46 37.48 1p98 s ILE 66 CO 0.83 -1.51 0.59 1.51 0.00 0.00 0.00 174.94 176.36 1p98 s ASP 67 N 6.21 6.34 0.20 3.58 1.47 -1.26 -4.91 116.67 128.29 1p98 s ASP 67 Ca 0.57 0.63 -0.11 0.00 1.18 0.00 0.00 52.55 54.82 1p98 s ASP 67 Cb -0.02 -2.11 0.18 0.00 -0.34 0.00 0.00 42.92 40.63 1p98 s ASP 67 CO -0.04 -0.31 1.80 1.05 0.68 0.00 0.00 175.17 178.35 1p98 h GLU 68 N 0.97 0.61 -0.83 2.11 4.11 -1.92 -1.87 114.58 117.76 1p98 h GLU 68 Ca -0.49 -0.04 0.24 0.00 0.07 0.00 0.00 59.36 59.15 1p98 h GLU 68 Cb 1.21 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1p98 h GLU 68 CO 0.63 0.41 0.60 0.87 0.07 0.00 0.00 179.01 181.58 1p98 h LYS 69 N 0.63 0.02 -6.19 1.06 6.56 -1.95 -3.41 116.57 113.29 1p98 h LYS 69 Ca 0.26 -0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 59.35 1p98 h LYS 69 Cb 0.13 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.75 1p98 h LYS 69 CO -0.16 0.01 -0.46 1.21 -2.06 0.00 0.00 179.45 177.99 1p98 s ASN 70 N -5.73 5.30 0.02 0.86 2.47 -0.70 -5.11 114.94 112.04 1p98 s ASN 70 Ca -0.05 -0.47 0.02 0.00 0.42 0.00 0.00 52.86 52.78 1p98 s ASN 70 Cb 0.21 -1.03 -0.01 0.00 -1.45 0.00 0.00 41.25 38.97 1p98 s ASN 70 CO 0.77 -0.30 -0.06 0.72 -3.72 0.00 0.00 177.10 174.51 1p98 s PHE 71 N -2.28 0.51 0.17 0.43 -0.12 -1.26 -4.12 117.98 111.30 1p98 s PHE 71 Ca 0.40 -0.32 0.02 0.00 -0.05 0.00 0.00 56.93 56.98 1p98 s PHE 71 Cb -0.06 -0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 1p98 s PHE 71 CO 0.26 -0.06 0.31 0.54 -0.05 0.00 0.00 175.22 176.22 1p98 s VAL 72 N -0.85 5.30 -0.37 -2.49 0.11 -0.57 -4.94 120.40 116.59 1p98 s VAL 72 Ca -0.06 -0.67 -0.14 0.00 -2.93 0.00 0.00 61.98 58.18 1p98 s VAL 72 Cb -0.06 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1p98 s VAL 72 CO 0.00 -0.13 0.26 -0.69 -3.33 0.00 0.00 175.10 171.21 1p98 s VAL 73 N -1.79 5.18 -0.57 2.04 1.01 -0.93 -1.15 120.40 124.19 1p98 s VAL 73 Ca 0.35 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 1p98 s VAL 73 Cb -0.11 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1p98 s VAL 73 CO 0.29 -0.16 1.21 0.68 0.00 0.00 0.00 175.10 177.12 1p98 s VAL 74 N 1.68 4.00 -0.20 2.92 -7.23 -0.05 -0.66 120.40 120.86 1p98 s VAL 74 Ca 0.05 0.90 -0.10 0.00 -1.81 0.00 0.00 61.98 61.02 1p98 s VAL 74 Cb -0.18 -4.70 -0.05 0.00 0.56 0.00 0.00 36.38 32.01 1p98 s VAL 74 CO 0.10 -1.32 0.13 -0.32 -0.31 0.00 0.00 175.10 173.38 1p98 s MET 75 N 4.99 4.18 0.01 4.82 1.75 0.39 -4.50 119.30 130.94 1p98 s MET 75 Ca 0.44 -0.23 -0.02 0.00 -1.25 0.00 0.00 55.69 54.63 1p98 s MET 75 Cb -0.08 -3.41 -0.01 0.00 2.84 0.00 0.00 34.83 34.17 1p98 s MET 75 CO 0.26 0.29 0.02 0.08 -0.65 0.00 0.00 175.02 175.02 1p98 s VAL 76 N 0.38 0.10 -0.01 10.11 1.01 -1.26 -0.90 120.40 129.82 1p98 s VAL 76 Ca 0.08 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 1p98 s VAL 76 Cb -0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1p98 s VAL 76 CO -0.02 -0.45 0.90 0.42 0.00 0.00 0.00 175.10 175.95 1p98 s THR 77 N -1.41 4.90 0.00 3.92 -4.23 -1.26 -5.05 115.64 112.51 1p98 s THR 77 Ca -0.15 1.89 0.00 0.00 -1.18 0.00 0.00 61.69 62.24 1p98 s THR 77 Cb -0.09 -4.24 0.00 0.00 1.34 0.00 0.00 72.50 69.51 1p98 s THR 77 CO -0.00 0.19 0.00 1.17 -0.54 0.00 0.00 174.62 175.44