#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 0.00 -3.00 3.04 0.00 -1.26 -4.98 120.51 114.30 1p98 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p98 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -4.60 0.00 0.24 -0.50 -5.02 118.33 108.46 1p98 n VAL 3 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 1p98 n VAL 3 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.05 1.29 0.16 3.34 2.01 -1.14 -3.89 115.64 117.35 1p98 s THR 4 Ca 0.00 -2.00 -0.13 0.00 0.31 0.00 0.00 61.69 59.87 1p98 s THR 4 Cb 0.00 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.94 1p98 s THR 4 CO 0.00 0.00 0.37 -0.63 -0.69 0.00 0.00 174.62 173.67 1p98 s ILE 5 N -3.00 0.06 -0.15 1.82 1.01 0.21 -4.15 121.20 116.99 1p98 s ILE 5 Ca 0.25 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 1p98 s ILE 5 Cb 0.06 -1.55 0.06 0.00 0.01 0.00 0.00 42.46 41.04 1p98 s ILE 5 CO 0.12 -0.29 0.37 -0.89 0.00 0.00 0.00 174.94 174.25 1p98 s THR 6 N -3.89 -0.08 0.23 2.92 2.01 -1.26 -2.23 115.64 113.34 1p98 s THR 6 Ca 0.10 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.24 1p98 s THR 6 Cb 0.02 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 1p98 s THR 6 CO -0.05 0.05 0.02 -0.76 -0.69 0.00 0.00 174.62 173.19 1p98 s LEU 7 N 1.48 2.06 0.01 4.42 2.01 0.03 -1.07 118.68 127.61 1p98 s LEU 7 Ca -0.09 -1.25 0.03 0.00 0.01 0.00 0.00 54.13 52.83 1p98 s LEU 7 Cb -0.09 -0.16 -0.01 0.00 0.01 0.00 0.00 46.19 45.93 1p98 s LEU 7 CO -0.12 -0.57 -0.08 -0.75 1.01 0.00 0.00 176.35 175.84 1p98 s LYS 8 N -3.91 0.64 0.00 1.70 2.20 -0.34 -1.26 119.74 118.76 1p98 s LYS 8 Ca 0.30 -0.39 0.24 0.00 -0.36 0.00 0.00 55.97 55.75 1p98 s LYS 8 Cb 0.06 -0.59 0.22 0.00 -1.51 0.00 0.00 37.83 36.01 1p98 s LYS 8 CO 0.09 0.16 1.22 0.25 -0.36 0.00 0.00 175.35 176.70 1p98 n THR 9 N 2.59 0.00 0.00 3.43 -2.24 -0.78 -0.63 114.28 116.65 1p98 n THR 9 Ca -0.15 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1p98 n THR 9 Cb 0.57 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.93 0.00 -0.00 3.22 4.77 -1.26 -4.70 117.00 118.10 1p98 n LEU 10 Ca 0.08 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1p98 n LEU 10 Cb 0.37 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.11 1p98 n LEU 10 CO 0.34 0.00 0.96 0.00 -1.33 0.00 0.00 177.39 177.36 1p98 n GLN 11 N -0.06 0.15 0.00 3.23 1.13 -1.26 -4.88 117.38 115.70 1p98 n GLN 11 Ca 0.00 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1p98 n GLN 11 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 1p98 n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1p98 n GLN 12 N -1.42 0.00 -2.54 -1.09 10.64 -1.26 -5.07 117.38 116.63 1p98 n GLN 12 Ca 0.09 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.86 1p98 n GLN 12 Cb 0.31 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.66 1p98 n GLN 12 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1p98 s GLN 13 N 0.00 3.54 -0.34 2.61 -0.21 -1.26 -4.91 119.66 119.10 1p98 s GLN 13 Ca 0.00 -1.05 -0.10 0.00 0.02 0.00 0.00 55.36 54.22 1p98 s GLN 13 Cb 0.00 -5.30 0.01 0.00 1.00 0.00 0.00 33.01 28.72 1p98 s GLN 13 CO 0.00 -2.24 0.18 0.99 -2.12 0.00 0.00 175.29 172.10 1p98 s THR 14 N 5.16 4.66 0.00 -0.19 2.01 -1.26 -1.87 115.64 124.15 1p98 s THR 14 Ca 0.46 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1p98 s THR 14 Cb -0.01 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1p98 s THR 14 CO -0.09 -0.06 0.00 2.22 -0.69 0.00 0.00 174.62 176.01 1p98 n PHE 15 N 5.00 0.00 -3.45 4.92 1.16 -0.39 -4.99 117.46 119.71 1p98 n PHE 15 Ca -0.13 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.34 1p98 n PHE 15 Cb 0.48 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.33 1p98 n PHE 15 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 1p98 s LYS 16 N -0.00 1.17 0.03 3.97 -2.85 -1.26 -0.79 119.74 120.00 1p98 s LYS 16 Ca 0.00 -0.43 -0.01 0.00 -1.00 0.00 0.00 55.97 54.53 1p98 s LYS 16 Cb 0.00 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.28 1p98 s LYS 16 CO 0.00 -0.51 -0.01 0.42 0.10 0.00 0.00 175.35 175.35 1p98 s ILE 17 N -3.59 0.13 0.00 3.79 -1.09 -0.95 -4.94 121.20 114.55 1p98 s ILE 17 Ca 0.02 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1p98 s ILE 17 Cb -0.01 -0.56 0.00 0.00 -1.58 0.00 0.00 42.46 40.31 1p98 s ILE 17 CO -0.12 -0.60 0.34 -1.14 -1.23 0.00 0.00 174.94 172.20 1p98 n ARG 18 N 1.24 0.00 0.00 2.79 0.63 -1.26 0.64 116.66 120.70 1p98 n ARG 18 Ca -0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.71 1p98 n ARG 18 Cb 0.56 -0.83 0.00 0.00 0.45 0.00 0.00 32.46 32.64 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 -0.38 0.00 -3.88 -0.14 0.00 -1.25 -2.88 117.12 108.58 1p98 n MET 19 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.60 1p98 n MET 19 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 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 0.00 0.66 0.00 3.17 2.12 -1.26 -1.40 118.70 121.99 1p98 s GLU 20 Ca 0.00 -0.70 0.17 0.00 0.36 0.00 0.00 54.97 54.79 1p98 s GLU 20 Cb 0.00 0.27 0.95 0.00 0.26 0.00 0.00 34.13 35.61 1p98 s GLU 20 CO 0.00 -0.18 1.41 -2.30 -0.54 0.00 0.00 175.26 173.65 1p98 n PRO 21 N 0.67 0.46 -0.01 4.30 -0.02 -1.26 -3.21 135.00 135.92 1p98 n PRO 21 Ca -0.19 0.03 -0.22 0.00 -2.02 0.00 0.00 63.50 61.11 1p98 n PRO 21 Cb 0.59 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.43 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 -1.06 2.09 -4.59 2.55 8.00 -1.26 0.63 116.55 122.91 1p98 n ASP 22 Ca 0.11 0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.56 1p98 n ASP 22 Cb 0.07 -0.89 0.20 0.00 -0.02 0.00 0.00 41.12 40.48 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 -3.64 -1.16 -0.29 -1.24 -0.58 -1.20 -4.57 120.64 107.96 1p98 n GLU 23 Ca -0.32 -0.29 -0.01 0.00 -0.42 0.00 0.00 57.16 56.12 1p98 n GLU 23 Cb 0.99 -2.28 0.09 0.00 -0.57 0.00 0.00 31.44 29.68 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 -4.49 1.09 0.00 2.62 -2.24 -1.26 -1.64 114.28 108.36 1p98 n THR 24 Ca 0.09 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1p98 n THR 24 Cb 0.53 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.25 2.28 0.31 -1.20 -2.90 118.33 116.71 1p98 n VAL 25 Ca 0.11 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.48 1p98 n VAL 25 Cb 0.63 0.00 0.17 0.00 -0.91 0.00 0.00 33.84 33.73 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 0.26 0.41 -1.01 5.55 3.64 -1.60 0.88 116.57 124.70 1p98 h LYS 26 Ca 0.00 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1p98 h LYS 26 Cb 0.00 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.65 1p98 h LYS 26 CO 0.00 0.27 0.64 -0.39 -2.27 0.00 0.00 179.45 177.70 1p98 h VAL 27 N 0.42 1.02 -0.91 2.00 -1.51 -1.86 -1.16 116.25 114.25 1p98 h VAL 27 Ca 0.39 -0.38 -0.01 0.00 -1.23 0.00 0.00 66.70 65.47 1p98 h VAL 27 Cb 0.59 -0.18 -0.04 0.00 -2.13 0.00 0.00 31.29 29.52 1p98 h VAL 27 CO -0.40 0.20 0.52 0.25 -1.23 0.00 0.00 177.57 176.92 1p98 h LEU 28 N 1.11 1.12 -0.98 4.19 5.85 -1.25 -0.79 115.31 124.54 1p98 h LEU 28 Ca 0.46 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.15 1p98 h LEU 28 Cb 0.30 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1p98 h LEU 28 CO -0.21 0.88 0.63 0.11 -0.34 0.00 0.00 178.44 179.51 1p98 h LYS 29 N 1.26 1.13 -0.92 1.25 1.79 -0.22 0.10 116.57 120.96 1p98 h LYS 29 Ca 0.32 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1p98 h LYS 29 Cb -0.01 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.34 1p98 h LYS 29 CO -0.06 0.75 0.56 0.93 -1.08 0.00 0.00 179.45 180.55 1p98 h GLU 30 N 1.16 1.24 0.36 3.15 5.08 -0.57 0.26 114.58 125.26 1p98 h GLU 30 Ca 0.42 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1p98 h GLU 30 Cb 0.14 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1p98 h GLU 30 CO -0.17 0.86 -0.17 0.87 -1.00 0.00 0.00 179.01 179.40 1p98 h LYS 31 N 1.26 -0.46 -1.00 2.33 6.56 -0.75 -0.41 116.57 124.10 1p98 h LYS 31 Ca 0.33 0.03 0.12 0.00 -1.06 0.00 0.00 60.65 60.08 1p98 h LYS 31 Cb -0.07 0.10 -0.09 0.00 -0.57 0.00 0.00 32.23 31.61 1p98 h LYS 31 CO -0.06 -0.20 0.63 0.82 -2.06 0.00 0.00 179.45 178.57 1p98 h ILE 32 N -1.05 0.91 -0.09 1.86 2.04 -1.04 0.16 117.51 120.30 1p98 h ILE 32 Ca -0.05 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.35 1p98 h ILE 32 Cb 0.47 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1p98 h ILE 32 CO 0.08 0.18 -0.51 -0.08 0.00 0.00 0.00 178.15 177.82 1p98 h GLU 33 N 0.98 0.24 0.00 2.37 4.22 -1.01 -1.52 114.58 119.86 1p98 h GLU 33 Ca 0.50 -0.14 -0.07 0.00 0.08 0.00 0.00 59.36 59.73 1p98 h GLU 33 Cb 0.51 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1p98 h GLU 33 CO -0.27 0.69 -0.36 0.00 -2.18 0.00 0.00 179.01 176.90 1p98 h ALA 34 N 1.28 1.20 -0.03 2.92 0.00 0.97 0.62 119.26 126.22 1p98 h ALA 34 Ca 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1p98 h ALA 34 Cb 0.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1p98 h ALA 34 CO 0.08 0.44 -0.17 1.49 0.00 0.00 0.00 179.25 181.09 1p98 h GLU 35 N 0.00 0.18 0.00 0.00 4.81 -0.45 -3.42 114.58 115.69 1p98 h GLU 35 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1p98 h GLU 35 Cb 0.72 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1p98 h GLU 35 CO 0.05 0.80 -0.25 1.17 -0.73 0.00 0.00 179.01 180.05 1p98 n LYS 36 N -4.58 0.15 0.00 1.92 0.00 -0.61 -5.11 118.16 109.93 1p98 n LYS 36 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1p98 n LYS 36 Cb 0.43 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 34.62 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 1.30 0.00 3.14 0.00 0.21 -4.76 105.19 106.64 1p98 n GLY 37 Ca -0.04 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.29 1p98 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p98 n ARG 38 N -1.84 0.12 -0.01 1.61 1.74 -1.26 -1.40 116.66 115.62 1p98 n ARG 38 Ca 0.00 0.13 -0.17 0.00 -0.77 0.00 0.00 57.85 57.04 1p98 n ARG 38 Cb 0.00 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.80 1p98 n ARG 38 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1p98 n ASP 39 N -1.42 1.66 -0.04 0.55 9.92 -1.26 -3.68 116.55 122.29 1p98 n ASP 39 Ca 0.07 0.27 -0.01 0.00 -0.53 0.00 0.00 54.79 54.59 1p98 n ASP 39 Cb 0.21 -0.55 -0.00 0.00 -0.64 0.00 0.00 41.12 40.14 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 0.40 0.00 -2.63 2.24 0.00 -1.81 -3.45 119.26 114.01 1p98 h ALA 40 Ca -0.38 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 53.84 1p98 h ALA 40 Cb 2.03 0.07 -0.39 0.00 0.00 0.00 0.00 17.79 19.50 1p98 h ALA 40 CO 0.08 0.07 -0.85 -0.06 0.00 0.00 0.00 179.25 178.50 1p98 s PHE 41 N -1.50 1.51 -0.01 0.00 0.08 -0.49 -4.91 117.98 112.66 1p98 s PHE 41 Ca -0.02 -2.32 -0.30 0.00 0.12 0.00 0.00 56.93 54.41 1p98 s PHE 41 Cb 0.00 -1.34 -0.05 0.00 -0.57 0.00 0.00 43.02 41.06 1p98 s PHE 41 CO 0.03 -0.78 1.32 -1.25 -0.10 0.00 0.00 175.22 174.44 1p98 s PRO 42 N 0.14 4.32 0.55 0.24 0.04 -1.24 -4.17 135.00 134.89 1p98 s PRO 42 Ca 0.25 1.86 0.48 0.00 0.04 0.00 0.00 61.00 63.64 1p98 s PRO 42 Cb -0.09 -3.53 1.71 0.00 0.04 0.00 0.00 34.50 32.63 1p98 s PRO 42 CO -0.11 -0.50 1.61 -0.39 0.04 0.00 0.00 177.00 177.65 1p98 h VAL 43 N 4.88 0.06 0.48 -0.36 -1.51 -1.89 0.77 116.25 118.67 1p98 h VAL 43 Ca -0.37 -0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.08 1p98 h VAL 43 Cb 1.18 0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 1p98 h VAL 43 CO 0.89 0.00 -0.42 0.00 -1.23 0.00 0.00 177.57 176.81 1p98 h ALA 44 N 1.09 -1.12 -0.58 5.19 0.00 -1.97 -3.14 119.26 118.74 1p98 h ALA 44 Ca 0.89 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1p98 h ALA 44 Cb 3.54 0.62 0.00 0.00 0.00 0.00 0.00 17.79 21.94 1p98 h ALA 44 CO -0.03 -1.13 0.00 0.41 0.00 0.00 0.00 179.25 178.50 1p98 n GLY 45 N -1.48 2.50 3.51 0.00 0.00 0.07 -4.80 105.19 104.99 1p98 n GLY 45 Ca -0.11 -0.77 -0.38 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 0.95 2.55 -3.01 1.61 6.02 -0.09 -4.14 117.38 121.27 1p98 n GLN 46 Ca 0.24 -2.90 -0.33 0.00 -0.01 0.00 0.00 57.00 54.00 1p98 n GLN 46 Cb 0.86 -3.55 -0.06 0.00 1.02 0.00 0.00 30.24 28.51 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 4.99 4.13 0.01 -1.09 1.02 -0.01 -4.72 119.74 124.07 1p98 s LYS 47 Ca 0.59 0.87 0.06 0.00 0.02 0.00 0.00 55.97 57.50 1p98 s LYS 47 Cb 0.03 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1p98 s LYS 47 CO 0.09 0.12 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.96 1p98 s LEU 48 N -2.92 2.09 -0.21 3.17 1.02 -0.87 -0.26 118.68 120.69 1p98 s LEU 48 Ca 0.56 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 54.34 1p98 s LEU 48 Cb -0.11 -0.83 0.04 0.00 0.02 0.00 0.00 46.19 45.31 1p98 s LEU 48 CO 0.16 0.16 -0.12 -0.63 0.02 0.00 0.00 176.35 175.95 1p98 s ILE 49 N -0.57 1.82 -0.19 -0.59 -1.09 -0.06 -0.91 121.20 119.62 1p98 s ILE 49 Ca 0.06 -1.16 0.01 0.00 -2.23 0.00 0.00 60.65 57.33 1p98 s ILE 49 Cb -0.07 -1.88 0.03 0.00 -1.58 0.00 0.00 42.46 38.96 1p98 s ILE 49 CO 0.00 0.16 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.23 1p98 s TYR 50 N 1.31 2.74 -1.13 3.97 5.04 -0.11 -1.44 117.35 127.73 1p98 s TYR 50 Ca -0.02 -1.68 -0.02 0.00 -2.44 0.00 0.00 57.07 52.91 1p98 s TYR 50 Cb -0.17 -1.86 0.00 0.00 0.35 0.00 0.00 41.96 40.29 1p98 s TYR 50 CO -0.08 -0.80 0.20 0.00 -1.34 0.00 0.00 175.55 173.53 1p98 n ALA 51 N 4.62 -0.53 -0.07 3.97 0.00 -1.26 -1.90 120.51 125.33 1p98 n ALA 51 Ca -0.19 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1p98 n ALA 51 Cb 0.49 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 -1.14 2.66 3.95 0.00 0.00 -1.26 -5.01 105.19 104.38 1p98 n GLY 52 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.07 2.79 0.15 1.61 3.01 -0.80 -5.07 119.74 121.36 1p98 s LYS 53 Ca 0.00 -0.45 0.09 0.00 -1.01 0.00 0.00 55.97 54.60 1p98 s LYS 53 Cb 0.00 -2.44 -0.04 0.00 -1.01 0.00 0.00 37.83 34.34 1p98 s LYS 53 CO 0.00 -0.59 -0.17 0.42 0.51 0.00 0.00 175.35 175.52 1p98 s ILE 54 N -2.78 2.85 -0.05 2.17 -1.09 -1.26 -0.94 121.20 120.10 1p98 s ILE 54 Ca 0.53 -1.64 -0.04 0.00 -2.23 0.00 0.00 60.65 57.27 1p98 s ILE 54 Cb -0.10 -2.35 0.02 0.00 -1.58 0.00 0.00 42.46 38.45 1p98 s ILE 54 CO 0.40 0.01 0.13 -1.48 -1.23 0.00 0.00 174.94 172.77 1p98 s LEU 55 N -2.42 1.36 0.47 2.97 2.34 -0.08 -4.93 118.68 118.39 1p98 s LEU 55 Ca 0.20 0.27 0.07 0.00 0.06 0.00 0.00 54.13 54.73 1p98 s LEU 55 Cb -0.10 0.42 0.00 0.00 -0.56 0.00 0.00 46.19 45.96 1p98 s LEU 55 CO 0.11 -0.06 0.38 -0.55 -1.06 0.00 0.00 176.35 175.17 1p98 s SER 56 N 0.27 4.79 0.19 1.48 0.15 -1.26 -2.06 113.70 117.27 1p98 s SER 56 Ca -0.02 -1.00 0.15 0.00 0.70 0.00 0.00 55.95 55.79 1p98 s SER 56 Cb -0.03 -0.13 0.76 0.00 -1.71 0.00 0.00 66.02 64.92 1p98 s SER 56 CO -0.01 -0.85 1.46 -0.90 1.20 0.00 0.00 173.24 174.14 1p98 n ASP 57 N -1.62 0.37 -0.22 5.45 5.68 -1.26 -1.77 116.55 123.18 1p98 n ASP 57 Ca 0.01 0.65 0.10 0.00 -0.50 0.00 0.00 54.79 55.05 1p98 n ASP 57 Cb 0.63 -0.71 -0.06 0.00 -1.14 0.00 0.00 41.12 39.84 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 -1.98 1.39 -4.90 -1.12 2.03 -1.19 -1.74 116.55 109.04 1p98 n ASP 58 Ca -0.00 -1.19 -0.29 0.00 0.52 0.00 0.00 54.79 53.82 1p98 n ASP 58 Cb 0.06 0.75 -0.04 0.00 -0.72 0.00 0.00 41.12 41.18 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 -2.58 5.05 0.18 5.18 -7.23 -0.73 -4.88 120.40 115.39 1p98 s VAL 59 Ca 0.12 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 1p98 s VAL 59 Cb 0.16 -3.70 -0.08 0.00 0.56 0.00 0.00 36.38 33.32 1p98 s VAL 59 CO 0.67 -0.22 1.04 -2.16 -0.31 0.00 0.00 175.10 174.12 1p98 s PRO 60 N -3.29 4.67 0.42 4.82 0.05 -1.26 -3.21 135.00 137.19 1p98 s PRO 60 Ca 0.43 1.62 0.09 0.00 0.05 0.00 0.00 61.00 63.19 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 0.28 0.19 2.06 0.82 0.05 0.00 0.00 177.00 180.40 1p98 h ILE 61 N 3.65 1.08 -0.12 0.56 1.08 -1.39 -1.64 117.51 120.73 1p98 h ILE 61 Ca -0.44 -0.17 -0.07 0.00 -0.39 0.00 0.00 64.86 63.79 1p98 h ILE 61 Cb 1.21 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 1p98 h ILE 61 CO 0.71 0.09 -0.25 -0.09 -0.69 0.00 0.00 178.15 177.92 1p98 h ARG 62 N 0.49 0.21 -0.07 2.37 2.43 -0.06 -1.71 114.38 118.04 1p98 h ARG 62 Ca 0.15 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1p98 h ARG 62 Cb -0.00 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1p98 h ARG 62 CO -0.03 0.45 0.05 0.22 -1.51 0.00 0.00 179.97 179.15 1p98 h ASP 63 N 0.19 0.00 -0.31 -3.80 1.82 -1.55 -1.30 116.42 111.47 1p98 h ASP 63 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1p98 h ASP 63 Cb 0.56 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1p98 h ASP 63 CO 0.04 0.00 0.00 -1.22 -1.61 0.00 0.00 179.24 176.45 1p98 n TYR 64 N -4.33 0.93 -3.94 0.28 4.02 -0.70 -5.01 117.16 108.41 1p98 n TYR 64 Ca -0.01 -0.78 -0.31 0.00 -0.01 0.00 0.00 57.90 56.78 1p98 n TYR 64 Cb 0.16 -0.27 -0.02 0.00 -0.02 0.00 0.00 39.34 39.20 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 -0.18 -0.61 -2.79 -0.72 3.00 -0.49 -4.81 116.66 110.05 1p98 n ARG 65 Ca 0.20 -0.04 -0.43 0.00 -0.00 0.00 0.00 57.85 57.58 1p98 n ARG 65 Cb 0.82 -1.92 -0.04 0.00 0.00 0.00 0.00 32.46 31.32 1p98 n ARG 65 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1p98 s ILE 66 N -3.96 4.23 0.20 5.15 1.01 -1.15 -5.00 121.20 121.69 1p98 s ILE 66 Ca 0.24 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.91 1p98 s ILE 66 Cb -0.13 -4.68 -0.03 0.00 0.01 0.00 0.00 42.46 37.62 1p98 s ILE 66 CO 0.73 -1.43 0.26 1.51 0.00 0.00 0.00 174.94 176.01 1p98 s ASP 67 N 3.44 6.03 0.41 3.58 1.47 -1.26 -4.87 116.67 125.47 1p98 s ASP 67 Ca 0.27 0.01 0.15 0.00 1.18 0.00 0.00 52.55 54.16 1p98 s ASP 67 Cb -0.14 -1.71 0.89 0.00 -0.34 0.00 0.00 42.92 41.62 1p98 s ASP 67 CO 0.14 0.00 1.90 1.05 0.68 0.00 0.00 175.17 178.94 1p98 h GLU 68 N 1.77 0.00 -0.46 2.11 9.09 -1.91 -2.50 114.58 122.68 1p98 h GLU 68 Ca -0.49 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.02 1p98 h GLU 68 Cb 1.21 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.29 1p98 h GLU 68 CO 0.64 0.28 0.32 -0.22 0.05 0.00 0.00 179.01 180.08 1p98 h LYS 69 N 0.00 0.15 0.00 1.06 3.11 -1.95 -3.43 116.57 115.52 1p98 h LYS 69 Ca -0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1p98 h LYS 69 Cb 0.53 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1p98 h LYS 69 CO 0.04 0.10 0.00 -1.71 -2.81 0.00 0.00 179.45 175.07 1p98 n ASN 70 N -4.44 0.56 -3.64 4.20 4.05 -0.94 -5.16 115.26 109.89 1p98 n ASN 70 Ca 0.07 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 55.04 1p98 n ASN 70 Cb 0.42 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.36 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 1.94 -0.35 0.54 1.20 -0.12 -1.26 -4.47 117.98 115.47 1p98 s PHE 71 Ca 0.00 0.83 -0.00 0.00 -0.05 0.00 0.00 56.93 57.71 1p98 s PHE 71 Cb 0.00 0.39 0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1p98 s PHE 71 CO 0.00 -0.17 0.77 0.54 -0.05 0.00 0.00 175.22 176.32 1p98 s VAL 72 N 0.25 3.05 -0.39 -2.49 0.11 -0.23 -4.91 120.40 115.79 1p98 s VAL 72 Ca 0.03 -0.55 -0.09 0.00 -2.93 0.00 0.00 61.98 58.45 1p98 s VAL 72 Cb -0.05 -3.15 0.05 0.00 -1.53 0.00 0.00 36.38 31.70 1p98 s VAL 72 CO -0.10 -0.12 0.21 -0.69 -3.33 0.00 0.00 175.10 171.07 1p98 s VAL 73 N -2.76 4.24 -1.10 2.04 1.01 -0.52 -1.20 120.40 122.12 1p98 s VAL 73 Ca 0.55 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1p98 s VAL 73 Cb -0.10 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 1p98 s VAL 73 CO 0.39 -0.34 1.76 0.54 0.00 0.00 0.00 175.10 177.45 1p98 s VAL 74 N 1.46 3.77 -0.07 2.92 0.11 0.20 -0.88 120.40 127.91 1p98 s VAL 74 Ca 0.02 -0.99 -0.12 0.00 -2.93 0.00 0.00 61.98 57.96 1p98 s VAL 74 Cb -0.21 -4.72 -0.05 0.00 -1.53 0.00 0.00 36.38 29.87 1p98 s VAL 74 CO 0.04 -1.49 0.30 -0.32 -3.33 0.00 0.00 175.10 170.29 1p98 s MET 75 N 5.64 3.79 0.03 1.54 0.00 0.64 -4.42 119.30 126.52 1p98 s MET 75 Ca 0.59 0.17 -0.02 0.00 0.00 0.00 0.00 55.69 56.43 1p98 s MET 75 Cb -0.01 -3.24 -0.02 0.00 0.00 0.00 0.00 34.83 31.57 1p98 s MET 75 CO 0.02 0.66 0.02 0.08 0.00 0.00 0.00 175.02 175.81 1p98 s VAL 76 N -0.85 0.13 -0.39 10.11 1.01 -1.26 -0.83 120.40 128.32 1p98 s VAL 76 Ca 0.20 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 1p98 s VAL 76 Cb -0.14 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1p98 s VAL 76 CO 0.09 -0.60 0.55 0.42 0.00 0.00 0.00 175.10 175.56 1p98 s THR 77 N -2.19 4.96 0.00 3.92 -4.23 -1.26 -5.06 115.64 111.78 1p98 s THR 77 Ca -0.09 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1p98 s THR 77 Cb -0.04 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.74 1p98 s THR 77 CO -0.03 -0.38 0.00 1.17 -0.54 0.00 0.00 174.62 174.84