#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 -3.43 -2.01 3.04 0.00 -1.26 -4.93 120.51 111.92 1p98 n ALA 2 Ca 0.00 0.55 -0.22 0.00 0.00 0.00 0.00 53.44 53.77 1p98 n ALA 2 Cb 0.00 -1.26 0.09 0.00 0.00 0.00 0.00 19.45 18.28 1p98 n ALA 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1p98 s VAL 3 N -2.72 2.15 -0.68 0.00 -7.23 -0.80 -4.97 120.40 106.15 1p98 s VAL 3 Ca 0.00 -0.76 -0.07 0.00 -1.81 0.00 0.00 61.98 59.34 1p98 s VAL 3 Cb 0.00 -2.39 0.18 0.00 0.56 0.00 0.00 36.38 34.72 1p98 s VAL 3 CO 0.00 0.00 0.54 -0.89 -0.31 0.00 0.00 175.10 174.44 1p98 s THR 4 N -2.94 4.42 0.99 5.32 2.01 -1.26 -3.13 115.64 121.05 1p98 s THR 4 Ca 0.64 -2.66 -0.14 0.00 0.31 0.00 0.00 61.69 59.85 1p98 s THR 4 Cb -0.05 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.69 1p98 s THR 4 CO 0.42 -0.92 0.37 -0.38 -0.69 0.00 0.00 174.62 173.42 1p98 n ILE 5 N 3.81 0.00 -4.04 1.82 5.41 0.13 -4.07 119.36 122.42 1p98 n ILE 5 Ca 0.08 -0.21 -0.16 0.00 1.00 0.00 0.00 62.75 63.46 1p98 n ILE 5 Cb 0.41 -0.64 -0.15 0.00 -0.71 0.00 0.00 39.64 38.55 1p98 n ILE 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1p98 s THR 6 N -2.38 0.29 0.22 1.39 2.01 -1.25 -1.73 115.64 114.18 1p98 s THR 6 Ca 0.57 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.54 1p98 s THR 6 Cb -0.19 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1p98 s THR 6 CO 0.67 0.13 0.02 -0.76 -0.69 0.00 0.00 174.62 173.99 1p98 s LEU 7 N 0.49 2.04 -0.29 4.42 2.01 0.11 -1.44 118.68 126.01 1p98 s LEU 7 Ca -0.05 -1.24 -0.12 0.00 0.01 0.00 0.00 54.13 52.73 1p98 s LEU 7 Cb -0.08 -0.13 0.11 0.00 0.01 0.00 0.00 46.19 46.10 1p98 s LEU 7 CO -0.01 -0.58 0.66 -0.75 1.01 0.00 0.00 176.35 176.67 1p98 s LYS 8 N -3.92 0.61 0.00 1.70 2.20 -0.44 -0.86 119.74 119.03 1p98 s LYS 8 Ca 0.29 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1p98 s LYS 8 Cb 0.06 0.65 0.00 0.00 -1.51 0.00 0.00 37.83 37.04 1p98 s LYS 8 CO 0.08 -0.19 0.00 0.25 -0.36 0.00 0.00 175.35 175.14 1p98 n THR 9 N 5.12 0.00 -0.92 3.43 -2.24 -0.14 -1.36 114.28 118.16 1p98 n THR 9 Ca -0.14 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 1p98 n THR 9 Cb 0.52 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.80 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 6.60 0.00 3.22 7.99 -1.26 -4.40 117.00 129.14 1p98 n LEU 10 Ca 0.00 -3.45 0.00 0.00 -0.01 0.00 0.00 56.01 52.55 1p98 n LEU 10 Cb 0.00 -1.00 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 1p98 n LEU 10 CO 0.00 1.23 0.00 0.00 -1.51 0.00 0.00 177.39 177.11 1p98 n GLN 11 N -0.01 0.00 0.00 3.23 6.02 -1.26 -4.86 117.38 120.51 1p98 n GLN 11 Ca 0.38 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.19 1p98 n GLN 11 Cb 0.66 -0.91 -0.12 0.00 1.02 0.00 0.00 30.24 30.90 1p98 n GLN 11 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1p98 h GLN 12 N 2.40 0.32 -5.87 -1.09 5.75 -1.95 -3.46 115.11 111.22 1p98 h GLN 12 Ca 0.00 -0.37 -0.51 0.00 -0.15 0.00 0.00 58.65 57.62 1p98 h GLN 12 Cb 0.00 0.11 -0.18 0.00 1.07 0.00 0.00 27.48 28.49 1p98 h GLN 12 CO 0.00 1.08 -0.78 -0.65 -2.65 0.00 0.00 178.83 175.83 1p98 s GLN 13 N -3.04 1.26 -0.10 1.69 -1.52 -1.26 -5.04 119.66 111.65 1p98 s GLN 13 Ca -0.14 -1.41 -0.05 0.00 -1.95 0.00 0.00 55.36 51.81 1p98 s GLN 13 Cb 0.02 -1.28 0.04 0.00 -0.22 0.00 0.00 33.01 31.57 1p98 s GLN 13 CO 0.80 0.26 0.23 0.99 -0.25 0.00 0.00 175.29 177.32 1p98 s THR 14 N -2.12 -0.04 -0.16 -0.19 2.01 -1.26 -0.97 115.64 112.92 1p98 s THR 14 Ca 0.16 0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 1p98 s THR 14 Cb -0.05 -0.36 0.04 0.00 0.01 0.00 0.00 72.50 72.14 1p98 s THR 14 CO 0.06 0.05 0.41 0.72 -0.69 0.00 0.00 174.62 175.18 1p98 s PHE 15 N 1.11 -0.48 0.20 4.92 -0.12 -0.04 -4.97 117.98 118.60 1p98 s PHE 15 Ca -0.08 1.14 0.04 0.00 -0.05 0.00 0.00 56.93 57.98 1p98 s PHE 15 Cb -0.09 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 1p98 s PHE 15 CO -0.07 -0.24 0.30 -1.59 -0.05 0.00 0.00 175.22 173.57 1p98 s LYS 16 N 0.44 3.38 0.22 1.99 -2.85 -1.26 0.07 119.74 121.72 1p98 s LYS 16 Ca -0.02 -0.71 0.05 0.00 -1.00 0.00 0.00 55.97 54.29 1p98 s LYS 16 Cb -0.04 -2.89 -0.05 0.00 -2.06 0.00 0.00 37.83 32.79 1p98 s LYS 16 CO -0.02 0.47 -0.06 0.42 0.10 0.00 0.00 175.35 176.26 1p98 s ILE 17 N -1.87 1.32 -0.92 3.79 -1.09 -0.71 -4.92 121.20 116.79 1p98 s ILE 17 Ca 0.34 -2.09 -0.00 0.00 -2.23 0.00 0.00 60.65 56.67 1p98 s ILE 17 Cb -0.10 -2.20 0.30 0.00 -1.58 0.00 0.00 42.46 38.89 1p98 s ILE 17 CO 0.28 -0.47 1.36 -1.14 -1.23 0.00 0.00 174.94 173.75 1p98 n ARG 18 N -0.40 4.19 -1.57 2.79 0.63 -1.26 0.17 116.66 121.21 1p98 n ARG 18 Ca -0.07 -4.64 -0.02 0.00 -0.92 0.00 0.00 57.85 52.20 1p98 n ARG 18 Cb 0.62 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 31.12 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 0.71 1.36 -4.75 -0.14 0.00 -1.18 -4.91 117.12 108.21 1p98 n MET 19 Ca 0.32 -0.23 -0.26 0.00 0.00 0.00 0.00 57.70 57.53 1p98 n MET 19 Cb 0.34 0.02 -0.15 0.00 0.00 0.00 0.00 33.22 33.43 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 -2.16 1.47 0.00 3.17 2.12 -1.26 -1.90 118.70 120.14 1p98 s GLU 20 Ca 0.02 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.51 1p98 s GLU 20 Cb -0.00 -1.54 0.20 0.00 0.26 0.00 0.00 34.13 33.05 1p98 s GLU 20 CO 0.02 0.40 1.00 -2.30 -0.54 0.00 0.00 175.26 173.84 1p98 n PRO 21 N 2.06 0.04 0.02 4.30 -0.02 -1.26 -2.57 135.00 137.57 1p98 n PRO 21 Ca -0.17 0.29 -0.18 0.00 -2.02 0.00 0.00 63.50 61.43 1p98 n PRO 21 Cb 0.53 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.37 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 0.34 -3.71 2.55 3.58 -1.95 0.54 116.42 117.76 1p98 h ASP 22 Ca 0.00 -0.66 -0.50 0.00 0.42 0.00 0.00 57.03 56.29 1p98 h ASP 22 Cb 0.05 -0.11 0.21 0.00 1.72 0.00 0.00 39.33 41.20 1p98 h ASP 22 CO 0.00 1.58 -0.10 -0.62 -2.88 0.00 0.00 179.24 177.23 1p98 n GLU 23 N -3.39 -0.96 -0.36 0.28 -0.58 -1.06 -4.58 120.64 109.99 1p98 n GLU 23 Ca -0.25 -0.23 -0.01 0.00 -0.42 0.00 0.00 57.16 56.25 1p98 n GLU 23 Cb 1.05 -2.17 0.12 0.00 -0.57 0.00 0.00 31.44 29.87 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 -4.30 1.24 0.00 2.62 -2.24 -1.26 -1.59 114.28 108.75 1p98 n THR 24 Ca 0.08 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1p98 n THR 24 Cb 0.54 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.29 2.28 0.31 -1.20 -3.00 118.33 116.56 1p98 n VAL 25 Ca 0.14 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.51 1p98 n VAL 25 Cb 0.70 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.81 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 0.12 0.72 -0.97 5.55 3.64 -1.65 0.10 116.57 124.08 1p98 h LYS 26 Ca 0.00 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1p98 h LYS 26 Cb 0.00 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.59 1p98 h LYS 26 CO 0.00 0.47 0.62 -0.39 -2.27 0.00 0.00 179.45 177.88 1p98 h VAL 27 N 0.74 1.03 -0.89 2.00 -1.51 -1.86 -1.32 116.25 114.44 1p98 h VAL 27 Ca 0.42 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 65.50 1p98 h VAL 27 Cb 0.45 -0.15 -0.04 0.00 -2.13 0.00 0.00 31.29 29.42 1p98 h VAL 27 CO -0.28 0.20 0.48 0.25 -1.23 0.00 0.00 177.57 176.99 1p98 h LEU 28 N 1.09 1.11 -0.82 4.19 5.85 -1.23 -0.42 115.31 125.07 1p98 h LEU 28 Ca 0.44 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.15 1p98 h LEU 28 Cb 0.25 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 1p98 h LEU 28 CO -0.20 0.89 0.47 0.11 -0.34 0.00 0.00 178.44 179.37 1p98 h LYS 29 N 1.24 0.76 -0.77 1.25 1.79 -0.15 0.26 116.57 120.95 1p98 h LYS 29 Ca 0.31 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.73 1p98 h LYS 29 Cb 0.03 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.47 1p98 h LYS 29 CO -0.05 0.51 0.46 0.93 -1.08 0.00 0.00 179.45 180.21 1p98 h GLU 30 N 0.79 1.05 0.22 3.15 5.08 -0.52 0.12 114.58 124.47 1p98 h GLU 30 Ca 0.40 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1p98 h GLU 30 Cb 0.36 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1p98 h GLU 30 CO -0.25 0.74 -0.11 0.87 -1.00 0.00 0.00 179.01 179.27 1p98 h LYS 31 N 1.07 -0.28 -1.00 2.33 6.56 -0.76 -0.58 116.57 123.90 1p98 h LYS 31 Ca 0.28 0.02 0.10 0.00 -1.06 0.00 0.00 60.65 59.98 1p98 h LYS 31 Cb -0.03 0.06 -0.08 0.00 -0.57 0.00 0.00 32.23 31.62 1p98 h LYS 31 CO -0.05 0.05 0.64 0.82 -2.06 0.00 0.00 179.45 178.84 1p98 h ILE 32 N -0.96 0.99 -0.07 1.86 2.04 -1.01 0.14 117.51 120.51 1p98 h ILE 32 Ca -0.03 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1p98 h ILE 32 Cb 0.46 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1p98 h ILE 32 CO 0.05 0.20 -0.47 -0.08 0.00 0.00 0.00 178.15 177.84 1p98 h GLU 33 N 1.07 0.17 0.00 2.37 4.81 -1.03 -1.45 114.58 120.52 1p98 h GLU 33 Ca 0.47 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.54 1p98 h GLU 33 Cb 0.35 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1p98 h GLU 33 CO -0.23 0.61 -0.34 0.00 -0.73 0.00 0.00 179.01 178.33 1p98 h ALA 34 N 1.37 1.03 -0.03 2.92 0.00 0.73 0.62 119.26 125.90 1p98 h ALA 34 Ca 0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1p98 h ALA 34 Cb 0.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1p98 h ALA 34 CO 0.07 0.42 -0.24 1.49 0.00 0.00 0.00 179.25 181.00 1p98 h GLU 35 N 0.00 0.21 0.00 0.00 4.81 -0.35 -3.42 114.58 115.83 1p98 h GLU 35 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1p98 h GLU 35 Cb 0.84 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1p98 h GLU 35 CO 0.04 0.87 -0.43 1.17 -0.73 0.00 0.00 179.01 179.93 1p98 n LYS 36 N -4.52 0.24 0.00 1.92 0.00 -0.59 -5.11 118.16 110.11 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 34.53 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 1.17 0.00 3.14 0.00 0.22 -4.76 105.19 106.47 1p98 n GLY 37 Ca -0.06 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.73 0.13 -0.05 1.61 1.85 -1.26 -1.39 116.66 115.82 1p98 n ARG 38 Ca 0.00 0.14 -0.15 0.00 -1.00 0.00 0.00 57.85 56.84 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 -1.40 1.40 -0.05 2.89 2.03 -1.26 -3.61 116.55 116.55 1p98 n ASP 39 Ca 0.07 0.14 -0.00 0.00 0.52 0.00 0.00 54.79 55.51 1p98 n ASP 39 Cb 0.19 -0.22 -0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.45 0.00 -2.45 -1.67 0.00 -1.83 -3.44 119.26 110.32 1p98 h ALA 40 Ca -0.45 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 53.81 1p98 h ALA 40 Cb 2.04 0.05 -0.39 0.00 0.00 0.00 0.00 17.79 19.49 1p98 h ALA 40 CO 0.03 0.05 -0.92 1.19 0.00 0.00 0.00 179.25 179.60 1p98 n PHE 41 N -4.61 -0.23 -2.14 0.00 3.72 -0.49 -4.92 117.46 108.79 1p98 n PHE 41 Ca -0.01 -3.48 -0.42 0.00 -0.05 0.00 0.00 57.45 53.49 1p98 n PHE 41 Cb 0.03 0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.27 4.27 0.56 -1.08 0.04 -1.22 -4.07 135.00 133.23 1p98 s PRO 42 Ca 0.32 2.08 0.49 0.00 0.04 0.00 0.00 61.00 63.92 1p98 s PRO 42 Cb 0.04 -3.50 1.72 0.00 0.04 0.00 0.00 34.50 32.80 1p98 s PRO 42 CO -0.19 -0.58 1.60 -0.39 0.04 0.00 0.00 177.00 177.49 1p98 h VAL 43 N 4.73 0.06 0.52 -0.36 -1.51 -1.89 0.53 116.25 118.33 1p98 h VAL 43 Ca -0.40 -0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.05 1p98 h VAL 43 Cb 1.19 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1p98 h VAL 43 CO 0.90 0.00 -0.38 0.00 -1.23 0.00 0.00 177.57 176.86 1p98 h ALA 44 N 1.07 -1.14 -0.50 5.19 0.00 -1.97 -3.13 119.26 118.79 1p98 h ALA 44 Ca 0.90 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1p98 h ALA 44 Cb 3.59 0.54 0.00 0.00 0.00 0.00 0.00 17.79 21.92 1p98 h ALA 44 CO -0.02 -1.13 0.00 0.41 0.00 0.00 0.00 179.25 178.52 1p98 n GLY 45 N -1.46 2.66 2.80 0.00 0.00 -0.01 -4.76 105.19 104.42 1p98 n GLY 45 Ca -0.10 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 0.61 2.92 -2.48 1.61 6.02 -0.11 -3.95 117.38 122.00 1p98 n GLN 46 Ca 0.23 -2.70 -0.33 0.00 -0.01 0.00 0.00 57.00 54.19 1p98 n GLN 46 Cb 0.99 -3.28 -0.04 0.00 1.02 0.00 0.00 30.24 28.93 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 3.11 3.92 0.04 -1.09 1.02 0.10 -4.80 119.74 122.03 1p98 s LYS 47 Ca 0.47 1.09 0.05 0.00 0.02 0.00 0.00 55.97 57.60 1p98 s LYS 47 Cb 0.13 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1p98 s LYS 47 CO -0.07 -0.30 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.39 1p98 s LEU 48 N -3.81 2.17 -0.21 3.17 1.02 -0.93 -0.37 118.68 119.72 1p98 s LEU 48 Ca 0.61 -0.47 0.01 0.00 0.02 0.00 0.00 54.13 54.30 1p98 s LEU 48 Cb -0.11 -0.66 0.05 0.00 0.02 0.00 0.00 46.19 45.48 1p98 s LEU 48 CO 0.26 0.05 -0.09 -0.63 0.02 0.00 0.00 176.35 175.96 1p98 s ILE 49 N -0.84 1.62 -0.20 -0.59 -1.09 0.22 -0.82 121.20 119.50 1p98 s ILE 49 Ca 0.03 -1.06 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 1p98 s ILE 49 Cb -0.08 -1.74 0.03 0.00 -1.58 0.00 0.00 42.46 39.09 1p98 s ILE 49 CO 0.01 0.10 -0.18 -0.47 -1.23 0.00 0.00 174.94 173.18 1p98 s TYR 50 N 1.39 2.87 -1.24 3.97 5.04 0.00 -1.81 117.35 127.58 1p98 s TYR 50 Ca -0.02 -1.73 -0.02 0.00 -2.44 0.00 0.00 57.07 52.86 1p98 s TYR 50 Cb -0.17 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.21 1p98 s TYR 50 CO -0.08 -0.81 0.22 0.00 -1.34 0.00 0.00 175.55 173.55 1p98 n ALA 51 N 4.60 -0.58 0.00 3.97 0.00 -1.26 -1.76 120.51 125.47 1p98 n ALA 51 Ca -0.20 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1p98 n ALA 51 Cb 0.49 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.17 2.68 3.93 0.00 0.00 -1.26 -5.02 105.19 104.36 1p98 n GLY 52 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.19 2.79 0.22 1.61 1.02 -0.72 -5.06 119.74 119.42 1p98 s LYS 53 Ca 0.00 -0.17 0.09 0.00 0.02 0.00 0.00 55.97 55.91 1p98 s LYS 53 Cb 0.00 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1p98 s LYS 53 CO 0.00 -0.73 -0.04 0.42 -0.92 0.00 0.00 175.35 174.07 1p98 s ILE 54 N -2.96 3.36 -0.10 2.17 -1.09 -1.26 -0.82 121.20 120.50 1p98 s ILE 54 Ca 0.54 -1.76 -0.07 0.00 -2.23 0.00 0.00 60.65 57.13 1p98 s ILE 54 Cb -0.10 -2.73 0.03 0.00 -1.58 0.00 0.00 42.46 38.08 1p98 s ILE 54 CO 0.44 -0.24 0.25 -1.48 -1.23 0.00 0.00 174.94 172.68 1p98 s LEU 55 N -3.24 0.82 0.48 2.97 2.34 -0.00 -4.90 118.68 117.14 1p98 s LEU 55 Ca 0.28 0.51 0.07 0.00 0.06 0.00 0.00 54.13 55.05 1p98 s LEU 55 Cb -0.08 0.81 0.01 0.00 -0.56 0.00 0.00 46.19 46.37 1p98 s LEU 55 CO 0.18 -0.11 0.39 -0.55 -1.06 0.00 0.00 176.35 175.19 1p98 s SER 56 N 0.54 4.80 0.32 1.48 0.15 -1.26 -2.18 113.70 117.55 1p98 s SER 56 Ca -0.03 -1.00 0.22 0.00 0.70 0.00 0.00 55.95 55.84 1p98 s SER 56 Cb -0.05 -0.11 1.17 0.00 -1.71 0.00 0.00 66.02 65.32 1p98 s SER 56 CO -0.03 -0.86 1.68 -0.90 1.20 0.00 0.00 173.24 174.33 1p98 n ASP 57 N -1.64 0.59 0.00 5.45 5.68 -1.26 -1.71 116.55 123.67 1p98 n ASP 57 Ca 0.02 0.75 0.11 0.00 -0.50 0.00 0.00 54.79 55.17 1p98 n ASP 57 Cb 0.63 -0.84 -0.02 0.00 -1.14 0.00 0.00 41.12 39.75 1p98 n ASP 57 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1p98 n ASP 58 N -2.27 0.86 -4.89 -1.12 9.92 -1.21 -1.95 116.55 115.88 1p98 n ASP 58 Ca -0.01 -0.79 -0.30 0.00 -0.53 0.00 0.00 54.79 53.16 1p98 n ASP 58 Cb 0.07 0.80 -0.04 0.00 -0.64 0.00 0.00 41.12 41.31 1p98 n ASP 58 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1p98 s VAL 59 N -3.00 5.02 0.22 2.53 -7.23 -0.69 -4.88 120.40 112.36 1p98 s VAL 59 Ca 0.09 0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.13 1p98 s VAL 59 Cb 0.16 -3.68 -0.08 0.00 0.56 0.00 0.00 36.38 33.34 1p98 s VAL 59 CO 0.82 -0.19 0.98 -2.16 -0.31 0.00 0.00 175.10 174.24 1p98 s PRO 60 N -3.19 4.78 0.44 4.82 0.05 -1.26 -3.28 135.00 137.37 1p98 s PRO 60 Ca 0.44 1.54 0.10 0.00 0.05 0.00 0.00 61.00 63.14 1p98 s PRO 60 Cb -0.11 -3.29 0.98 0.00 0.05 0.00 0.00 34.50 32.14 1p98 s PRO 60 CO 0.26 0.39 2.06 0.82 0.05 0.00 0.00 177.00 180.59 1p98 h ILE 61 N 3.35 1.08 -0.02 0.56 1.08 -1.36 -1.57 117.51 120.64 1p98 h ILE 61 Ca -0.45 -0.24 -0.07 0.00 -0.39 0.00 0.00 64.86 63.71 1p98 h ILE 61 Cb 1.20 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1p98 h ILE 61 CO 0.69 0.09 -0.33 -0.09 -0.69 0.00 0.00 178.15 177.82 1p98 h ARG 62 N 0.31 0.03 0.00 2.37 2.43 -0.17 -1.81 114.38 117.54 1p98 h ARG 62 Ca 0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1p98 h ARG 62 Cb 0.04 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1p98 h ARG 62 CO -0.01 0.36 -0.01 0.22 -1.51 0.00 0.00 179.97 179.02 1p98 h ASP 63 N 0.03 0.00 -0.27 -3.80 1.82 -1.55 -1.08 116.42 111.57 1p98 h ASP 63 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1p98 h ASP 63 Cb 0.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1p98 h ASP 63 CO 0.04 0.01 0.00 -1.22 -1.61 0.00 0.00 179.24 176.47 1p98 n TYR 64 N -4.06 0.90 -4.34 0.28 4.02 -0.72 -4.98 117.16 108.26 1p98 n TYR 64 Ca -0.03 -0.83 -0.40 0.00 -0.01 0.00 0.00 57.90 56.64 1p98 n TYR 64 Cb 0.10 -0.28 -0.07 0.00 -0.02 0.00 0.00 39.34 39.06 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 -0.37 -0.78 -2.37 -0.72 1.74 -0.41 -4.75 116.66 109.00 1p98 n ARG 65 Ca 0.20 0.13 -0.36 0.00 -0.77 0.00 0.00 57.85 57.05 1p98 n ARG 65 Cb 0.84 -4.46 -0.04 0.00 -1.02 0.00 0.00 32.46 27.78 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 -3.10 3.76 0.43 0.55 1.01 -1.05 -4.94 121.20 117.86 1p98 s ILE 66 Ca 0.78 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 1p98 s ILE 66 Cb -0.45 -4.70 -0.02 0.00 0.01 0.00 0.00 42.46 37.30 1p98 s ILE 66 CO 0.95 -1.57 0.66 -0.62 0.00 0.00 0.00 174.94 174.36 1p98 s ASP 67 N 6.01 6.01 0.16 3.58 2.15 -1.26 -4.85 116.67 128.47 1p98 s ASP 67 Ca 0.56 0.42 -0.15 0.00 0.43 0.00 0.00 52.55 53.81 1p98 s ASP 67 Cb -0.02 -1.77 0.10 0.00 -0.30 0.00 0.00 42.92 40.93 1p98 s ASP 67 CO -0.04 -0.58 1.75 1.05 -0.17 0.00 0.00 175.17 177.18 1p98 h GLU 68 N 0.46 0.30 -0.34 4.34 4.11 -1.92 -1.96 114.58 119.57 1p98 h GLU 68 Ca -0.47 -0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.04 1p98 h GLU 68 Cb 1.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1p98 h GLU 68 CO 0.59 0.20 0.34 -0.22 0.07 0.00 0.00 179.01 179.99 1p98 h LYS 69 N 0.30 0.00 -6.18 1.06 3.11 -1.95 -3.41 116.57 109.50 1p98 h LYS 69 Ca 0.19 0.00 -0.51 0.00 -2.81 0.00 0.00 60.65 57.52 1p98 h LYS 69 Cb 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.35 1p98 h LYS 69 CO -0.19 0.00 -0.50 1.21 -2.81 0.00 0.00 179.45 177.16 1p98 s ASN 70 N -5.62 5.23 0.02 4.20 2.47 -0.74 -5.11 114.94 115.39 1p98 s ASN 70 Ca -0.05 -0.46 0.02 0.00 0.42 0.00 0.00 52.86 52.79 1p98 s ASN 70 Cb 0.16 -1.08 -0.02 0.00 -1.45 0.00 0.00 41.25 38.87 1p98 s ASN 70 CO 0.57 -0.21 -0.07 0.72 -3.72 0.00 0.00 177.10 174.40 1p98 s PHE 71 N -2.26 0.57 0.15 0.43 -0.12 -1.26 -3.95 117.98 111.54 1p98 s PHE 71 Ca 0.37 -0.32 0.03 0.00 -0.05 0.00 0.00 56.93 56.96 1p98 s PHE 71 Cb -0.06 -0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 1p98 s PHE 71 CO 0.25 -0.05 0.26 0.54 -0.05 0.00 0.00 175.22 176.17 1p98 s VAL 72 N -0.84 5.18 -0.38 -2.49 0.11 -0.52 -4.93 120.40 116.53 1p98 s VAL 72 Ca -0.05 -0.76 -0.21 0.00 -2.93 0.00 0.00 61.98 58.03 1p98 s VAL 72 Cb -0.07 -3.67 0.01 0.00 -1.53 0.00 0.00 36.38 31.13 1p98 s VAL 72 CO 0.00 -0.10 0.65 -0.69 -3.33 0.00 0.00 175.10 171.63 1p98 s VAL 73 N -1.75 4.86 -1.06 2.04 1.01 -0.75 -1.33 120.40 123.42 1p98 s VAL 73 Ca 0.34 0.45 -0.22 0.00 0.00 0.00 0.00 61.98 62.54 1p98 s VAL 73 Cb -0.11 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1p98 s VAL 73 CO 0.28 -0.41 1.51 0.54 0.00 0.00 0.00 175.10 177.01 1p98 s VAL 74 N 2.77 3.94 0.00 2.92 0.11 -0.47 -0.61 120.40 129.06 1p98 s VAL 74 Ca 0.24 -0.92 -0.14 0.00 -2.93 0.00 0.00 61.98 58.23 1p98 s VAL 74 Cb -0.14 -5.05 -0.06 0.00 -1.53 0.00 0.00 36.38 29.60 1p98 s VAL 74 CO 0.16 -1.92 0.40 -0.32 -3.33 0.00 0.00 175.10 170.09 1p98 s MET 75 N 4.93 3.89 0.01 1.54 0.00 0.50 -4.27 119.30 125.90 1p98 s MET 75 Ca 0.48 0.38 -0.00 0.00 0.00 0.00 0.00 55.69 56.55 1p98 s MET 75 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 34.83 31.61 1p98 s MET 75 CO -0.07 0.69 -0.02 0.08 0.00 0.00 0.00 175.02 175.70 1p98 s VAL 76 N -1.09 0.08 -0.24 10.11 1.01 -1.25 -0.72 120.40 128.28 1p98 s VAL 76 Ca 0.24 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1p98 s VAL 76 Cb -0.16 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.05 1p98 s VAL 76 CO 0.13 -0.35 -0.08 0.42 0.00 0.00 0.00 175.10 175.22 1p98 s THR 77 N -1.03 2.76 0.00 3.92 -4.23 -1.26 -5.06 115.64 110.74 1p98 s THR 77 Ca -0.11 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1p98 s THR 77 Cb -0.07 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1p98 s THR 77 CO -0.01 0.23 0.00 1.17 -0.54 0.00 0.00 174.62 175.47