#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx9 s VAL 4 N 0.00 4.50 -0.17 2.46 1.01 -1.26 -5.09 120.40 121.85 1xx9 s VAL 4 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1xx9 s VAL 4 Cb 0.00 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1xx9 s VAL 4 CO 0.00 0.54 0.96 -1.58 0.00 0.00 0.00 175.10 175.02 1xx9 s GLN 5 N -1.12 4.32 1.01 2.72 0.74 -1.26 -5.03 119.66 121.03 1xx9 s GLN 5 Ca 0.16 1.24 -0.11 0.00 0.05 0.00 0.00 55.36 56.70 1xx9 s GLN 5 Cb -0.12 -3.59 0.19 0.00 1.10 0.00 0.00 33.01 30.59 1xx9 s GLN 5 CO 0.05 -0.44 1.04 -0.35 -0.55 0.00 0.00 175.29 175.05 1xx9 n PRO 6 N 5.58 -1.12 0.09 1.67 -0.04 -1.26 -4.94 135.00 134.98 1xx9 n PRO 6 Ca 0.08 -0.27 -0.12 0.00 -0.04 0.00 0.00 63.50 63.16 1xx9 n PRO 6 Cb 0.48 -2.27 -0.10 0.00 -0.04 0.00 0.00 33.50 31.57 1xx9 n PRO 6 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xx9 h LEU 7 N -2.14 0.27 -1.47 1.53 5.85 -1.96 -3.24 115.31 114.15 1xx9 h LEU 7 Ca -0.49 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 57.96 1xx9 h LEU 7 Cb 1.29 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1xx9 h LEU 7 CO 0.43 1.17 0.23 -0.33 -0.34 0.00 0.00 178.44 179.60 1xx9 h GLU 8 N 0.07 0.00 0.00 1.25 3.07 -1.92 0.56 114.58 117.61 1xx9 h GLU 8 Ca -0.08 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 1xx9 h GLU 8 Cb 1.79 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.68 1xx9 h GLU 8 CO 0.16 0.00 -0.41 -0.22 -1.40 0.00 0.00 179.01 177.14 1xx9 h LYS 9 N 0.00 0.00 0.07 2.33 3.64 -1.94 -3.29 116.57 117.38 1xx9 h LYS 9 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xx9 h LYS 9 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1xx9 h LYS 9 CO 0.00 0.41 -0.03 0.82 -2.27 0.00 0.00 179.45 178.38 1xx9 h ILE 10 N 0.00 0.90 -2.70 2.00 1.08 -1.10 -3.49 117.51 114.20 1xx9 h ILE 10 Ca -0.00 -1.46 0.05 0.00 -0.39 0.00 0.00 64.86 63.05 1xx9 h ILE 10 Cb 1.08 1.62 -0.12 0.00 -3.07 0.00 0.00 36.82 36.33 1xx9 h ILE 10 CO 0.05 0.28 0.33 0.00 -0.69 0.00 0.00 178.15 178.12 1xx9 s ALA 11 N -2.94 -1.66 -0.94 1.87 0.00 -1.22 -5.07 121.76 111.81 1xx9 s ALA 11 Ca -0.11 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.39 1xx9 s ALA 11 Cb -0.01 0.70 -0.09 0.00 0.00 0.00 0.00 23.12 23.72 1xx9 s ALA 11 CO 0.41 -0.78 2.46 -0.35 0.00 0.00 0.00 175.76 177.50 1xx9 n PRO 12 N -0.34 2.40 -1.82 0.00 -0.04 -1.26 -4.23 135.00 129.71 1xx9 n PRO 12 Ca -0.12 -1.51 -0.42 0.00 -0.04 0.00 0.00 63.50 61.40 1xx9 n PRO 12 Cb 0.63 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 1xx9 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xx9 s TYR 13 N 2.73 2.74 1.02 0.54 2.02 -1.26 -4.93 117.35 120.21 1xx9 s TYR 13 Ca 0.49 0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 57.40 1xx9 s TYR 13 Cb 0.15 -4.05 0.05 0.00 -0.40 0.00 0.00 41.96 37.70 1xx9 s TYR 13 CO -0.03 -4.05 0.14 -0.35 -1.57 0.00 0.00 175.55 169.68 1xx9 n PRO 14 N 4.54 -0.78 -2.96 -1.71 -0.04 -1.26 -4.91 135.00 127.87 1xx9 n PRO 14 Ca 0.16 -0.20 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 1xx9 n PRO 14 Cb 0.38 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 1xx9 n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xx9 s GLN 15 N -3.44 3.91 -0.01 0.54 -1.52 -1.26 -5.01 119.66 112.88 1xx9 s GLN 15 Ca 0.55 0.61 -0.30 0.00 -1.95 0.00 0.00 55.36 54.27 1xx9 s GLN 15 Cb -0.16 -2.39 -0.06 0.00 -0.22 0.00 0.00 33.01 30.18 1xx9 s GLN 15 CO 0.68 0.04 1.50 0.00 -0.25 0.00 0.00 175.29 177.26 1xx9 s ALA 16 N -2.20 3.62 0.81 6.09 0.00 -1.26 -4.99 121.76 123.83 1xx9 s ALA 16 Ca 0.53 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 1xx9 s ALA 16 Cb -0.10 -3.65 0.08 0.00 0.00 0.00 0.00 23.12 19.45 1xx9 s ALA 16 CO 0.24 -1.07 1.11 -1.21 0.00 0.00 0.00 175.76 174.84 1xx9 s GLU 17 N 2.83 1.93 0.18 0.00 2.02 -1.26 -4.85 118.70 119.55 1xx9 s GLU 17 Ca 0.67 1.30 -0.33 0.00 0.02 0.00 0.00 54.97 56.64 1xx9 s GLU 17 Cb -0.33 -1.85 -0.15 0.00 0.10 0.00 0.00 34.13 31.90 1xx9 s GLU 17 CO 0.28 -1.91 1.35 1.17 0.02 0.00 0.00 175.26 176.17 1xx9 n LYS 18 N -3.65 1.64 -0.45 1.61 4.81 -1.26 -1.27 118.16 119.59 1xx9 n LYS 18 Ca 0.10 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1xx9 n LYS 18 Cb 0.53 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.36 1xx9 n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xx9 n GLY 19 N 2.39 1.18 3.65 3.14 0.00 -1.26 -5.02 105.19 109.27 1xx9 n GLY 19 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1xx9 n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xx9 s MET 20 N -0.34 2.09 0.01 1.61 -1.94 -0.40 0.57 119.30 120.89 1xx9 s MET 20 Ca 0.00 -2.31 -0.18 0.00 -1.71 0.00 0.00 55.69 51.48 1xx9 s MET 20 Cb 0.00 -1.06 0.03 0.00 2.01 0.00 0.00 34.83 35.81 1xx9 s MET 20 CO 0.00 -0.44 0.40 -1.59 -0.01 0.00 0.00 175.02 173.38 1xx9 s LYS 21 N -3.78 0.83 -0.11 2.03 -2.85 -0.24 -4.57 119.74 111.05 1xx9 s LYS 21 Ca 0.13 -0.22 -0.17 0.00 -1.00 0.00 0.00 55.97 54.71 1xx9 s LYS 21 Cb 0.02 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1xx9 s LYS 21 CO 0.08 -0.26 0.43 0.50 0.10 0.00 0.00 175.35 176.21 1xx9 s ARG 22 N -1.84 4.28 0.02 1.78 3.52 -1.26 -1.58 118.95 123.86 1xx9 s ARG 22 Ca -0.09 0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.94 1xx9 s ARG 22 Cb -0.02 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1xx9 s ARG 22 CO 0.02 0.24 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.97 1xx9 s GLN 23 N 0.38 2.31 -0.02 5.12 1.11 0.61 -4.94 119.66 124.23 1xx9 s GLN 23 Ca 0.24 -0.85 0.01 0.00 0.01 0.00 0.00 55.36 54.77 1xx9 s GLN 23 Cb -0.15 -2.34 0.01 0.00 -1.01 0.00 0.00 33.01 29.52 1xx9 s GLN 23 CO 0.09 0.57 -0.05 0.08 0.01 0.00 0.00 175.29 176.00 1xx9 s VAL 24 N -0.95 0.46 -0.18 1.09 1.01 -1.26 0.19 120.40 120.77 1xx9 s VAL 24 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1xx9 s VAL 24 Cb -0.11 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1xx9 s VAL 24 CO 0.06 0.17 -0.13 -0.63 0.00 0.00 0.00 175.10 174.57 1xx9 s ILE 25 N 0.38 1.68 -0.30 2.22 1.01 0.30 -4.96 121.20 121.52 1xx9 s ILE 25 Ca -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 1xx9 s ILE 25 Cb -0.08 -1.64 0.05 0.00 0.01 0.00 0.00 42.46 40.79 1xx9 s ILE 25 CO -0.00 0.34 -0.00 -1.10 0.00 0.00 0.00 174.94 174.18 1xx9 s GLN 26 N 1.42 2.46 0.60 2.79 -0.21 -1.26 -1.41 119.66 124.05 1xx9 s GLN 26 Ca 0.02 -1.25 -0.15 0.00 0.02 0.00 0.00 55.36 54.01 1xx9 s GLN 26 Cb -0.14 -3.17 -0.03 0.00 1.00 0.00 0.00 33.01 30.66 1xx9 s GLN 26 CO -0.10 -0.61 1.05 -0.51 -2.12 0.00 0.00 175.29 173.00 1xx9 s LEU 27 N 1.26 3.44 -0.07 2.90 1.43 -1.26 -5.03 118.68 121.35 1xx9 s LEU 27 Ca -0.05 1.74 -0.20 0.00 -1.03 0.00 0.00 54.13 54.60 1xx9 s LEU 27 Cb -0.20 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.46 1xx9 s LEU 27 CO -0.01 -1.15 0.56 0.42 0.23 0.00 0.00 176.35 176.40 1xx9 s THR 28 N -2.60 5.07 0.55 5.49 -4.23 -1.26 -4.75 115.64 113.92 1xx9 s THR 28 Ca 0.62 1.14 -0.19 0.00 -1.18 0.00 0.00 61.69 62.07 1xx9 s THR 28 Cb -0.15 -3.89 -0.07 0.00 1.34 0.00 0.00 72.50 69.73 1xx9 s THR 28 CO 0.40 0.35 0.83 -2.65 -0.54 0.00 0.00 174.62 173.01 1xx9 n PRO 29 N 3.32 0.86 -3.97 3.99 -0.02 -1.26 -4.88 135.00 133.03 1xx9 n PRO 29 Ca -0.06 0.33 -0.09 0.00 -2.02 0.00 0.00 63.50 61.65 1xx9 n PRO 29 Cb 0.51 -1.99 -0.11 0.00 -0.02 0.00 0.00 33.50 31.89 1xx9 n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xx9 s GLN 30 N -2.40 0.35 0.22 -0.52 -1.52 -1.26 -5.06 119.66 109.48 1xx9 s GLN 30 Ca 0.71 -0.63 -0.09 0.00 -1.95 0.00 0.00 55.36 53.40 1xx9 s GLN 30 Cb -0.45 0.13 0.34 0.00 -0.22 0.00 0.00 33.01 32.80 1xx9 s GLN 30 CO 0.51 -0.06 1.67 1.49 -0.25 0.00 0.00 175.29 178.65 1xx9 h GLU 31 N 4.50 0.15 -3.03 2.91 4.57 -2.06 -3.34 114.58 118.27 1xx9 h GLU 31 Ca -0.32 -0.01 -0.58 0.00 -1.18 0.00 0.00 59.36 57.27 1xx9 h GLU 31 Cb 1.20 -0.03 -0.40 0.00 -0.16 0.00 0.00 28.75 29.36 1xx9 h GLU 31 CO 0.43 0.10 -0.78 0.34 -1.18 0.00 0.00 179.01 177.92 1xx9 s ASP 32 N -5.24 3.58 0.00 1.04 -1.08 -1.26 -4.98 116.67 108.74 1xx9 s ASP 32 Ca -0.13 -1.97 0.28 0.00 -0.52 0.00 0.00 52.55 50.20 1xx9 s ASP 32 Cb 0.20 -0.70 1.32 0.00 -1.46 0.00 0.00 42.92 42.28 1xx9 s ASP 32 CO 0.74 -0.35 1.93 -0.62 0.52 0.00 0.00 175.17 177.38 1xx9 n GLU 33 N 4.38 0.27 0.09 4.34 1.02 -1.26 -3.29 120.64 126.19 1xx9 n GLU 33 Ca 0.04 0.03 0.11 0.00 -0.02 0.00 0.00 57.16 57.31 1xx9 n GLU 33 Cb 0.39 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.75 1xx9 n GLU 33 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xx9 n SER 34 N -1.35 0.48 -1.40 1.62 3.41 -1.26 -2.29 113.62 112.83 1xx9 n SER 34 Ca 0.11 0.60 -0.04 0.00 -0.26 0.00 0.00 58.87 59.28 1xx9 n SER 34 Cb 0.25 -0.71 0.23 0.00 -0.26 0.00 0.00 64.21 63.72 1xx9 n SER 34 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xx9 n THR 35 N -2.01 2.65 -4.09 6.66 -2.24 -1.21 -4.97 114.28 109.08 1xx9 n THR 35 Ca 0.03 -2.21 -0.09 0.00 -2.27 0.00 0.00 64.05 59.51 1xx9 n THR 35 Cb 0.25 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.04 1xx9 n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xx9 s LEU 36 N -3.11 2.41 0.17 3.22 1.43 -0.97 -1.62 118.68 120.22 1xx9 s LEU 36 Ca 0.48 -0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 52.65 1xx9 s LEU 36 Cb 0.41 0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.66 1xx9 s LEU 36 CO 0.06 -0.44 0.30 -0.54 0.23 0.00 0.00 176.35 175.96 1xx9 s LYS 37 N -3.05 1.20 -0.11 1.70 1.02 -0.08 -3.23 119.74 117.19 1xx9 s LYS 37 Ca 0.01 -1.19 0.01 0.00 0.02 0.00 0.00 55.97 54.82 1xx9 s LYS 37 Cb 0.01 0.39 0.02 0.00 -0.52 0.00 0.00 37.83 37.72 1xx9 s LYS 37 CO -0.05 -0.45 -0.14 0.08 -0.92 0.00 0.00 175.35 173.88 1xx9 s VAL 38 N -3.98 1.39 -0.23 3.17 1.01 0.10 -0.67 120.40 121.19 1xx9 s VAL 38 Ca 0.18 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 1xx9 s VAL 38 Cb 0.03 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1xx9 s VAL 38 CO 0.01 0.42 0.14 -0.70 0.00 0.00 0.00 175.10 174.98 1xx9 s GLU 39 N 1.14 4.03 0.08 2.72 2.12 0.12 -0.05 118.70 128.86 1xx9 s GLU 39 Ca -0.04 -0.29 -0.23 0.00 0.36 0.00 0.00 54.97 54.77 1xx9 s GLU 39 Cb -0.14 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.70 1xx9 s GLU 39 CO -0.03 0.08 0.69 -0.51 -0.54 0.00 0.00 175.26 174.95 1xx9 s LEU 40 N 0.98 4.50 -0.37 2.70 1.43 -0.20 -0.24 118.68 127.49 1xx9 s LEU 40 Ca 0.07 1.41 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 1xx9 s LEU 40 Cb -0.13 -3.11 0.10 0.00 0.03 0.00 0.00 46.19 43.08 1xx9 s LEU 40 CO 0.04 0.15 0.09 -0.76 0.23 0.00 0.00 176.35 176.09 1xx9 s LEU 41 N -0.63 4.61 -0.16 1.79 1.43 0.42 -4.94 118.68 121.21 1xx9 s LEU 41 Ca 0.34 -2.28 -0.04 0.00 -1.03 0.00 0.00 54.13 51.11 1xx9 s LEU 41 Cb -0.21 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1xx9 s LEU 41 CO 0.22 -0.36 -0.01 -0.63 0.23 0.00 0.00 176.35 175.80 1xx9 s ILE 42 N 0.73 4.10 -0.01 -0.59 1.01 -1.26 0.63 121.20 125.81 1xx9 s ILE 42 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1xx9 s ILE 42 Cb -0.20 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1xx9 s ILE 42 CO -0.07 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1xx9 n GLY 43 N 3.50 -0.73 3.20 6.18 0.00 -0.98 -1.37 105.19 114.99 1xx9 n GLY 43 Ca -0.17 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1xx9 n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xx9 s GLN 44 N -0.00 0.62 -0.34 1.61 -2.07 -0.45 -1.02 119.66 118.01 1xx9 s GLN 44 Ca 0.00 -0.27 -0.25 0.00 -1.82 0.00 0.00 55.36 53.01 1xx9 s GLN 44 Cb 0.00 0.27 0.01 0.00 -1.09 0.00 0.00 33.01 32.20 1xx9 s GLN 44 CO 0.00 -0.17 0.90 0.99 -1.32 0.00 0.00 175.29 175.69 1xx9 s THR 45 N -1.41 4.65 0.30 3.63 2.01 -1.26 -1.51 115.64 122.05 1xx9 s THR 45 Ca -0.14 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.15 1xx9 s THR 45 Cb -0.06 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1xx9 s THR 45 CO 0.03 -0.43 0.10 -0.76 -0.69 0.00 0.00 174.62 172.88 1xx9 s LEU 46 N 3.31 1.81 -0.32 4.42 1.02 -0.82 -4.99 118.68 123.12 1xx9 s LEU 46 Ca 0.37 -1.45 -0.07 0.00 0.02 0.00 0.00 54.13 53.00 1xx9 s LEU 46 Cb -0.13 -0.06 0.02 0.00 0.02 0.00 0.00 46.19 46.05 1xx9 s LEU 46 CO 0.16 -0.75 0.10 -1.61 0.02 0.00 0.00 176.35 174.26 1xx9 s GLU 47 N -3.92 2.86 0.31 1.70 2.02 -1.26 -1.69 118.70 118.72 1xx9 s GLU 47 Ca 0.36 -1.01 0.11 0.00 0.02 0.00 0.00 54.97 54.44 1xx9 s GLU 47 Cb 0.07 -3.42 -0.06 0.00 0.10 0.00 0.00 34.13 30.82 1xx9 s GLU 47 CO 0.15 -0.56 -0.14 0.14 0.02 0.00 0.00 175.26 174.87 1xx9 s VAL 48 N 1.46 2.32 0.00 2.63 -7.23 -0.15 -4.87 120.40 114.55 1xx9 s VAL 48 Ca 0.01 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.88 1xx9 s VAL 48 Cb -0.18 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1xx9 s VAL 48 CO 0.03 -0.30 0.00 -0.90 -0.31 0.00 0.00 175.10 173.62 1xx9 n ASP 49 N -0.70 0.00 0.17 4.85 3.85 -1.26 -1.56 116.55 121.89 1xx9 n ASP 49 Ca -0.05 -0.43 0.13 0.00 -0.71 0.00 0.00 54.79 53.73 1xx9 n ASP 49 Cb 0.62 0.00 0.51 0.00 -1.35 0.00 0.00 41.12 40.90 1xx9 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xx9 s ASN 51 N -4.77 1.89 -0.10 0.00 -0.87 -1.26 -5.00 114.94 104.83 1xx9 s ASN 51 Ca 0.05 1.20 -0.20 0.00 -1.57 0.00 0.00 52.86 52.33 1xx9 s ASN 51 Cb 0.09 -1.87 -0.04 0.00 -0.02 0.00 0.00 41.25 39.42 1xx9 s ASN 51 CO 0.48 -3.59 0.58 -0.76 -2.57 0.00 0.00 177.10 171.23 1xx9 s LEU 52 N -6.75 4.28 0.17 0.60 1.43 -1.26 -4.92 118.68 112.24 1xx9 s LEU 52 Ca 0.67 0.96 0.10 0.00 -1.03 0.00 0.00 54.13 54.83 1xx9 s LEU 52 Cb -0.20 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 1xx9 s LEU 52 CO 0.59 -0.06 -0.15 -1.00 0.23 0.00 0.00 176.35 175.96 1xx9 s HIS 53 N 0.78 2.52 -0.23 0.29 3.76 -1.26 -2.80 115.29 118.35 1xx9 s HIS 53 Ca 0.31 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.79 1xx9 s HIS 53 Cb -0.16 -1.25 0.07 0.00 1.11 0.00 0.00 32.58 32.34 1xx9 s HIS 53 CO 0.13 0.49 0.58 0.50 -0.85 0.00 0.00 174.74 175.59 1xx9 s ARG 54 N -2.67 0.62 0.40 1.40 3.52 -1.13 -4.66 118.95 116.43 1xx9 s ARG 54 Ca 0.22 0.95 -0.22 0.00 -0.13 0.00 0.00 55.73 56.55 1xx9 s ARG 54 Cb -0.09 0.18 -0.11 0.00 -1.56 0.00 0.00 34.95 33.38 1xx9 s ARG 54 CO 0.13 -0.12 0.96 -1.17 -0.81 0.00 0.00 175.30 174.28 1xx9 s LEU 55 N 1.03 4.05 0.10 -0.88 2.96 0.03 -0.03 118.68 125.94 1xx9 s LEU 55 Ca -0.06 1.75 -0.12 0.00 -0.22 0.00 0.00 54.13 55.49 1xx9 s LEU 55 Cb -0.05 -4.38 -0.06 0.00 0.50 0.00 0.00 46.19 42.19 1xx9 s LEU 55 CO -0.10 -0.30 0.46 -0.83 -1.32 0.00 0.00 176.35 174.27 1xx9 s GLY 56 N -2.00 2.40 0.00 7.98 0.00 -0.28 -4.06 107.32 111.36 1xx9 s GLY 56 Ca 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1xx9 s GLY 56 CO 0.17 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.86 1xx9 n GLY 57 N 0.90 4.35 3.47 0.20 0.00 -1.22 -2.04 105.19 110.85 1xx9 n GLY 57 Ca -0.07 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 1xx9 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xx9 s LYS 58 N -3.36 1.65 -0.44 1.61 1.02 -0.82 -4.53 119.74 114.88 1xx9 s LYS 58 Ca 0.00 -1.83 -0.09 0.00 0.02 0.00 0.00 55.97 54.07 1xx9 s LYS 58 Cb 0.00 -1.44 0.09 0.00 -0.52 0.00 0.00 37.83 35.96 1xx9 s LYS 58 CO 0.00 0.12 0.29 -1.17 -0.92 0.00 0.00 175.35 173.67 1xx9 s LEU 59 N -3.51 5.34 -0.26 3.17 2.96 -1.26 -2.49 118.68 122.63 1xx9 s LEU 59 Ca 0.30 -1.65 -0.26 0.00 -0.22 0.00 0.00 54.13 52.30 1xx9 s LEU 59 Cb 0.02 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1xx9 s LEU 59 CO 0.14 -0.59 0.89 -1.61 -1.32 0.00 0.00 176.35 173.85 1xx9 s GLU 60 N 1.40 4.13 -0.25 1.98 0.41 0.24 -4.89 118.70 121.72 1xx9 s GLU 60 Ca 0.04 0.95 -0.20 0.00 -0.41 0.00 0.00 54.97 55.35 1xx9 s GLU 60 Cb -0.24 -3.67 -0.02 0.00 -1.78 0.00 0.00 34.13 28.42 1xx9 s GLU 60 CO 0.01 -0.62 0.62 1.21 -0.49 0.00 0.00 175.26 175.99 1xx9 s ASN 61 N 1.41 6.58 0.49 -0.19 3.04 -1.26 -0.44 114.94 124.57 1xx9 s ASN 61 Ca 0.37 0.72 0.05 0.00 0.04 0.00 0.00 52.86 54.03 1xx9 s ASN 61 Cb -0.15 -2.34 -0.01 0.00 -1.54 0.00 0.00 41.25 37.22 1xx9 s ASN 61 CO 0.09 -0.35 0.17 -0.54 -3.04 0.00 0.00 177.10 173.43 1xx9 s LYS 62 N 2.40 2.20 -0.05 0.43 1.02 -0.32 -5.01 119.74 120.42 1xx9 s LYS 62 Ca 0.26 -2.12 0.02 0.00 0.02 0.00 0.00 55.97 54.16 1xx9 s LYS 62 Cb -0.16 -1.83 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1xx9 s LYS 62 CO 0.09 -0.35 -0.11 0.99 -0.92 0.00 0.00 175.35 175.05 1xx9 s THR 63 N -2.76 1.01 -0.37 2.17 2.01 -1.26 -2.72 115.64 113.72 1xx9 s THR 63 Ca 0.26 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 1xx9 s THR 63 Cb 0.02 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1xx9 s THR 63 CO 0.15 0.32 1.48 -0.22 -0.69 0.00 0.00 174.62 175.66 1xx9 s LEU 64 N 0.46 3.63 -0.17 4.42 2.96 0.52 -4.90 118.68 125.60 1xx9 s LEU 64 Ca -0.09 1.02 -0.40 0.00 -0.22 0.00 0.00 54.13 54.43 1xx9 s LEU 64 Cb -0.13 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.85 1xx9 s LEU 64 CO 0.02 -1.43 1.53 1.21 -1.32 0.00 0.00 176.35 176.37 1xx9 n GLU 65 N 8.02 0.87 -0.23 1.98 2.13 -1.26 -1.04 120.64 131.10 1xx9 n GLU 65 Ca 0.18 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1xx9 n GLU 65 Cb 0.47 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1xx9 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xx9 n GLY 66 N 3.37 2.44 0.05 8.31 0.00 -1.26 -4.82 105.19 113.28 1xx9 n GLY 66 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 1xx9 n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xx9 n TRP 67 N -2.00 0.00 -1.12 1.61 7.02 -0.21 -5.00 117.44 117.74 1xx9 n TRP 67 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1xx9 n TRP 67 Cb 0.00 -0.52 -0.02 0.00 -2.42 0.00 0.00 31.31 28.35 1xx9 n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xx9 n GLY 68 N 2.27 0.70 3.81 6.99 0.00 -1.10 -5.01 105.19 112.87 1xx9 n GLY 68 Ca -0.16 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 1xx9 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xx9 s TYR 69 N -2.13 3.52 0.28 1.61 1.51 -1.26 -4.93 117.35 115.95 1xx9 s TYR 69 Ca 0.00 0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 56.48 1xx9 s TYR 69 Cb 0.00 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1xx9 s TYR 69 CO 0.00 0.55 0.50 -0.51 -1.11 0.00 0.00 175.55 174.98 1xx9 s ASP 70 N -0.44 6.38 0.05 2.29 1.01 -1.26 -0.36 116.67 124.34 1xx9 s ASP 70 Ca 0.12 0.53 -0.24 0.00 0.71 0.00 0.00 52.55 53.67 1xx9 s ASP 70 Cb -0.12 -2.07 0.06 0.00 1.01 0.00 0.00 42.92 41.81 1xx9 s ASP 70 CO 0.01 -0.18 0.56 -0.72 0.21 0.00 0.00 175.17 175.05 1xx9 s TYR 71 N -2.10 -0.48 0.03 4.23 -0.85 -1.10 -4.63 117.35 112.45 1xx9 s TYR 71 Ca 0.41 0.57 0.09 0.00 -0.52 0.00 0.00 57.07 57.62 1xx9 s TYR 71 Cb -0.10 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 1xx9 s TYR 71 CO 0.32 -0.67 -0.25 0.71 -1.52 0.00 0.00 175.55 174.14 1xx9 s TYR 72 N -2.40 2.19 -0.09 -3.49 1.51 0.81 -1.18 117.35 114.70 1xx9 s TYR 72 Ca -0.05 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 1xx9 s TYR 72 Cb -0.01 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1xx9 s TYR 72 CO -0.01 0.09 -0.21 0.08 -1.11 0.00 0.00 175.55 174.39 1xx9 s VAL 73 N -0.76 2.38 -0.52 0.71 1.01 0.41 -0.70 120.40 122.94 1xx9 s VAL 73 Ca 0.10 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1xx9 s VAL 73 Cb -0.10 -1.92 0.13 0.00 0.00 0.00 0.00 36.38 34.49 1xx9 s VAL 73 CO 0.01 0.56 0.44 0.12 0.00 0.00 0.00 175.10 176.23 1xx9 s PHE 74 N 0.10 3.34 0.15 5.22 5.36 -0.37 0.80 117.98 132.58 1xx9 s PHE 74 Ca -0.10 -1.57 0.01 0.00 -0.96 0.00 0.00 56.93 54.31 1xx9 s PHE 74 Cb -0.16 -3.67 -0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1xx9 s PHE 74 CO 0.06 -1.01 0.02 -0.40 -1.46 0.00 0.00 175.22 172.43 1xx9 n ASP 75 N 5.06 1.77 -1.70 6.13 5.68 -1.04 -4.56 116.55 127.88 1xx9 n ASP 75 Ca -0.10 -1.73 -0.15 0.00 -0.50 0.00 0.00 54.79 52.31 1xx9 n ASP 75 Cb 0.40 0.23 -0.01 0.00 -1.14 0.00 0.00 41.12 40.60 1xx9 n ASP 75 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1xx9 n LYS 76 N -0.36 -1.21 -2.29 0.11 5.02 -1.26 -1.95 118.16 116.22 1xx9 n LYS 76 Ca -0.05 0.75 -0.37 0.00 -2.02 0.00 0.00 58.31 56.63 1xx9 n LYS 76 Cb 0.21 -5.09 -0.02 0.00 -0.02 0.00 0.00 35.03 30.11 1xx9 n LYS 76 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xx9 s VAL 77 N -2.75 3.16 -0.01 -0.18 1.01 -1.26 -3.42 120.40 116.95 1xx9 s VAL 77 Ca 0.00 0.91 -0.21 0.00 0.00 0.00 0.00 61.98 62.68 1xx9 s VAL 77 Cb 0.00 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1xx9 s VAL 77 CO 0.00 0.03 0.46 -0.94 0.00 0.00 0.00 175.10 174.65 1xx9 s SER 78 N -1.28 -0.38 0.36 3.32 1.04 -0.87 -4.90 113.70 110.99 1xx9 s SER 78 Ca 0.61 0.29 -0.26 0.00 0.48 0.00 0.00 55.95 57.07 1xx9 s SER 78 Cb -0.29 0.42 -0.12 0.00 0.10 0.00 0.00 66.02 66.12 1xx9 s SER 78 CO 0.36 -0.55 0.93 -1.20 0.98 0.00 0.00 173.24 173.76 1xx9 n SER 79 N 0.98 0.92 -4.58 7.02 7.64 -1.26 -1.13 113.62 123.20 1xx9 n SER 79 Ca -0.20 1.08 -0.50 0.00 1.01 0.00 0.00 58.87 60.26 1xx9 n SER 79 Cb 0.57 -1.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.44 1xx9 n SER 79 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1xx9 n PRO 80 N 0.48 1.15 -2.19 1.43 -0.02 -1.26 -4.39 135.00 130.20 1xx9 n PRO 80 Ca 0.10 0.41 -0.26 0.00 -2.02 0.00 0.00 63.50 61.73 1xx9 n PRO 80 Cb 0.36 -1.98 0.09 0.00 -0.02 0.00 0.00 33.50 31.94 1xx9 n PRO 80 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xx9 s VAL 81 N 0.15 2.22 -0.02 -1.45 -7.23 0.95 -4.82 120.40 110.20 1xx9 s VAL 81 Ca 0.79 -0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 60.52 1xx9 s VAL 81 Cb -0.91 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 33.11 1xx9 s VAL 81 CO 0.49 0.00 0.41 -0.55 -0.31 0.00 0.00 175.10 175.14 1xx9 s SER 82 N -4.58 -0.31 0.94 4.85 0.15 -1.26 -2.83 113.70 110.65 1xx9 s SER 82 Ca 0.62 0.24 -0.14 0.00 0.70 0.00 0.00 55.95 57.37 1xx9 s SER 82 Cb -0.10 0.38 0.16 0.00 -1.71 0.00 0.00 66.02 64.75 1xx9 s SER 82 CO 0.46 -0.50 1.19 0.42 1.20 0.00 0.00 173.24 176.01 1xx9 s THR 83 N -1.38 1.95 -0.46 6.45 -4.23 -1.12 -5.00 115.64 111.85 1xx9 s THR 83 Ca -0.12 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1xx9 s THR 83 Cb -0.04 -2.84 0.42 0.00 1.34 0.00 0.00 72.50 71.38 1xx9 s THR 83 CO 0.05 0.00 1.17 0.54 -0.54 0.00 0.00 174.62 175.84 1xx9 n ARG 84 N -3.78 3.40 -2.48 3.99 1.74 -1.26 -4.82 116.66 113.45 1xx9 n ARG 84 Ca 0.10 -4.43 -0.26 0.00 -0.77 0.00 0.00 57.85 52.48 1xx9 n ARG 84 Cb 0.60 -2.25 0.03 0.00 -1.02 0.00 0.00 32.46 29.81 1xx9 n ARG 84 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1xx9 s MET 85 N -3.58 2.98 0.00 5.56 -1.94 -1.26 -5.07 119.30 116.00 1xx9 s MET 85 Ca 0.48 -0.05 -0.17 0.00 -1.71 0.00 0.00 55.69 54.24 1xx9 s MET 85 Cb 0.40 -2.31 -0.06 0.00 2.01 0.00 0.00 34.83 34.87 1xx9 s MET 85 CO -0.19 -0.62 0.49 0.00 -0.01 0.00 0.00 175.02 174.69 1xx9 s ALA 86 N -2.92 3.60 0.02 3.03 0.00 -1.26 -4.92 121.76 119.31 1xx9 s ALA 86 Ca 0.53 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.45 1xx9 s ALA 86 Cb -0.10 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 1xx9 s ALA 86 CO 0.44 0.34 -0.19 0.00 0.00 0.00 0.00 175.76 176.35 1xx9 s PRO 88 N -0.86 3.67 0.84 0.00 0.04 -1.26 -5.03 135.00 132.39 1xx9 s PRO 88 Ca 0.06 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 1xx9 s PRO 88 Cb -0.08 -2.12 0.11 0.00 0.04 0.00 0.00 34.50 32.45 1xx9 s PRO 88 CO 0.01 -0.56 1.20 -0.51 0.04 0.00 0.00 177.00 177.17 1xx9 s ASP 89 N -1.83 4.19 -0.01 6.66 -0.00 -1.26 -4.37 116.67 120.05 1xx9 s ASP 89 Ca 0.68 0.61 0.00 0.00 -0.00 0.00 0.00 52.55 53.84 1xx9 s ASP 89 Cb -0.20 -1.00 0.00 0.00 -0.00 0.00 0.00 42.92 41.71 1xx9 s ASP 89 CO 0.24 -2.08 0.00 0.61 -0.00 0.00 0.00 175.17 173.94 1xx9 n GLY 90 N -3.39 0.41 2.77 0.21 0.00 -1.26 -5.01 105.19 98.92 1xx9 n GLY 90 Ca 0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1xx9 n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xx9 s LYS 91 N -0.45 -0.02 0.14 1.61 2.20 -1.26 -5.15 119.74 116.81 1xx9 s LYS 91 Ca 0.00 0.39 0.06 0.00 -0.36 0.00 0.00 55.97 56.06 1xx9 s LYS 91 Cb 0.00 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 1xx9 s LYS 91 CO 0.00 -0.27 -0.13 0.15 -0.36 0.00 0.00 175.35 174.74 1xx9 s LYS 92 N 1.83 1.07 -0.01 4.03 -0.14 -1.26 -4.82 119.74 120.44 1xx9 s LYS 92 Ca -0.00 -1.34 0.05 0.00 -1.36 0.00 0.00 55.97 53.31 1xx9 s LYS 92 Cb -0.12 -0.85 -0.01 0.00 -1.68 0.00 0.00 37.83 35.16 1xx9 s LYS 92 CO -0.04 0.15 -0.17 -1.21 -0.76 0.00 0.00 175.35 173.32 1xx9 s GLU 93 N -3.09 1.33 -0.36 1.68 2.02 -0.60 -4.95 118.70 114.72 1xx9 s GLU 93 Ca 0.13 -0.60 -0.20 0.00 0.02 0.00 0.00 54.97 54.32 1xx9 s GLU 93 Cb -0.02 -1.29 0.00 0.00 0.10 0.00 0.00 34.13 32.92 1xx9 s GLU 93 CO 0.03 0.35 0.60 0.21 0.02 0.00 0.00 175.26 176.47 1xx9 s LYS 94 N -0.43 3.63 0.06 1.61 2.20 -1.26 -0.98 119.74 124.57 1xx9 s LYS 94 Ca 0.06 -0.04 -0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1xx9 s LYS 94 Cb -0.06 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 1xx9 s LYS 94 CO -0.01 -0.73 -0.04 0.15 -0.36 0.00 0.00 175.35 174.37 1xx9 s LYS 95 N 2.62 0.61 -0.82 4.03 -0.14 -0.68 -4.99 119.74 120.37 1xx9 s LYS 95 Ca 0.23 -1.14 -0.18 0.00 -1.36 0.00 0.00 55.97 53.51 1xx9 s LYS 95 Cb -0.15 0.09 0.14 0.00 -1.68 0.00 0.00 37.83 36.24 1xx9 s LYS 95 CO 0.15 -0.08 0.94 0.12 -0.76 0.00 0.00 175.35 175.71 1xx9 s PHE 96 N -3.43 3.23 -0.23 3.18 5.36 -1.26 -1.93 117.98 122.89 1xx9 s PHE 96 Ca 0.04 -1.41 -0.29 0.00 -0.96 0.00 0.00 56.93 54.32 1xx9 s PHE 96 Cb 0.04 -4.11 -0.02 0.00 -0.34 0.00 0.00 43.02 38.60 1xx9 s PHE 96 CO -0.07 -1.33 1.44 0.14 -1.46 0.00 0.00 175.22 173.93 1xx9 s VAL 97 N 2.12 3.96 0.37 3.12 -7.23 -0.57 -4.83 120.40 117.34 1xx9 s VAL 97 Ca 0.24 1.10 0.08 0.00 -1.81 0.00 0.00 61.98 61.58 1xx9 s VAL 97 Cb -0.11 -3.91 -0.02 0.00 0.56 0.00 0.00 36.38 32.90 1xx9 s VAL 97 CO -0.05 -0.32 0.33 0.42 -0.31 0.00 0.00 175.10 175.18 1xx9 s THR 98 N 4.50 3.10 0.18 5.32 -4.23 -1.26 -1.34 115.64 121.92 1xx9 s THR 98 Ca 0.63 -1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 59.77 1xx9 s THR 98 Cb -0.22 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1xx9 s THR 98 CO 0.24 -0.09 0.37 0.00 -0.54 0.00 0.00 174.62 174.61 1xx9 s ALA 99 N -2.39 3.85 -0.47 3.99 0.00 -0.47 -0.79 121.76 125.48 1xx9 s ALA 99 Ca 0.44 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 51.37 1xx9 s ALA 99 Cb -0.05 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.12 1xx9 s ALA 99 CO 0.27 0.48 0.73 -0.47 0.00 0.00 0.00 175.76 176.78 1xx9 s TYR 100 N -1.82 3.00 -0.97 0.00 5.04 -1.26 -4.77 117.35 116.57 1xx9 s TYR 100 Ca 0.38 -0.05 0.26 0.00 -2.44 0.00 0.00 57.07 55.23 1xx9 s TYR 100 Cb -0.11 -3.58 0.77 0.00 0.35 0.00 0.00 41.96 39.39 1xx9 s TYR 100 CO 0.28 -1.00 1.61 1.28 -1.34 0.00 0.00 175.55 176.38 1xx9 n LEU 101 N 6.57 0.34 0.00 6.97 4.77 -1.26 -4.86 117.00 129.52 1xx9 n LEU 101 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1xx9 n LEU 101 Cb 0.48 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1xx9 n LEU 101 CO 0.57 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1xx9 n GLY 102 N 1.49 1.75 0.19 -0.72 0.00 -1.26 -2.89 105.19 103.74 1xx9 n GLY 102 Ca 0.06 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1xx9 n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xx9 h ASP 103 N 9.36 0.00 0.48 1.61 3.32 -1.97 -2.80 116.42 126.42 1xx9 h ASP 103 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xx9 h ASP 103 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xx9 h ASP 103 CO 0.00 0.36 0.00 0.00 -1.72 0.00 0.00 179.24 177.88 1xx9 n ALA 104 N -2.29 1.50 0.87 3.45 0.00 -1.14 -2.30 120.51 120.60 1xx9 n ALA 104 Ca -0.00 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1xx9 n ALA 104 Cb 0.50 -1.30 0.55 0.00 0.00 0.00 0.00 19.45 19.20 1xx9 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xx9 n GLY 105 N -0.35 -1.47 3.40 0.00 0.00 -1.06 -4.66 105.19 101.06 1xx9 n GLY 105 Ca 0.02 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1xx9 n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xx9 s MET 106 N -3.02 3.06 0.23 1.61 1.00 -0.97 -1.04 119.30 120.17 1xx9 s MET 106 Ca 0.12 -0.91 0.07 0.00 0.00 0.00 0.00 55.69 54.98 1xx9 s MET 106 Cb 0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 34.83 31.33 1xx9 s MET 106 CO 0.51 -0.56 0.11 -0.51 0.00 0.00 0.00 175.02 174.57 1xx9 s LEU 107 N 1.57 3.58 0.32 -0.03 1.43 0.93 -4.93 118.68 121.56 1xx9 s LEU 107 Ca 0.03 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 1xx9 s LEU 107 Cb -0.18 -2.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.80 1xx9 s LEU 107 CO 0.06 0.01 1.25 -0.60 0.23 0.00 0.00 176.35 177.30 1xx9 s ARG 108 N -3.56 4.43 -0.27 1.70 3.52 -1.26 0.00 118.95 123.50 1xx9 s ARG 108 Ca 0.31 2.11 -0.28 0.00 -0.13 0.00 0.00 55.73 57.75 1xx9 s ARG 108 Cb -0.08 -3.10 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 1xx9 s ARG 108 CO 0.23 -0.09 0.99 -0.47 -0.81 0.00 0.00 175.30 175.15 1xx9 s TYR 109 N -1.13 3.26 -0.28 5.12 6.14 -1.20 -4.63 117.35 124.64 1xx9 s TYR 109 Ca 0.48 1.26 -0.01 0.00 0.64 0.00 0.00 57.07 59.44 1xx9 s TYR 109 Cb -0.38 -3.37 0.13 0.00 0.42 0.00 0.00 41.96 38.76 1xx9 s TYR 109 CO 0.50 -0.57 0.30 1.21 0.64 0.00 0.00 175.55 177.62 1xx9 s ASN 110 N 1.42 1.48 0.00 4.32 2.47 -1.26 -4.76 114.94 118.60 1xx9 s ASN 110 Ca 0.42 -0.60 0.29 0.00 0.42 0.00 0.00 52.86 53.39 1xx9 s ASN 110 Cb -0.14 0.56 1.68 0.00 -1.45 0.00 0.00 41.25 41.90 1xx9 s ASN 110 CO 0.10 -0.37 2.06 -1.54 -3.72 0.00 0.00 177.10 173.63 1xx9 n SER 111 N 5.32 0.00 0.11 -4.21 3.41 -1.26 -3.40 113.62 113.58 1xx9 n SER 111 Ca -0.03 -0.74 -0.04 0.00 -0.26 0.00 0.00 58.87 57.81 1xx9 n SER 111 Cb 0.47 -0.06 0.05 0.00 -0.26 0.00 0.00 64.21 64.41 1xx9 n SER 111 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xx9 h LYS 112 N 0.00 0.00 -5.61 4.33 1.57 -1.95 -3.45 116.57 111.47 1xx9 h LYS 112 Ca 0.00 -0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 1xx9 h LYS 112 Cb 0.06 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.16 1xx9 h LYS 112 CO 0.00 0.77 -0.79 -0.51 -0.57 0.00 0.00 179.45 178.36 1xx9 s LEU 113 N -7.25 2.32 0.46 2.94 1.43 -1.22 -5.15 118.68 112.22 1xx9 s LEU 113 Ca -0.00 -0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 52.27 1xx9 s LEU 113 Cb 0.12 -0.64 -0.07 0.00 0.03 0.00 0.00 46.19 45.63 1xx9 s LEU 113 CO 0.79 -0.06 0.87 -2.16 0.23 0.00 0.00 176.35 176.02 1xx9 s PRO 114 N -2.08 3.85 -0.34 1.29 0.04 -1.26 -4.80 135.00 131.69 1xx9 s PRO 114 Ca 0.04 0.69 -0.16 0.00 0.04 0.00 0.00 61.00 61.61 1xx9 s PRO 114 Cb -0.08 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1xx9 s PRO 114 CO 0.03 -0.16 0.38 0.42 0.04 0.00 0.00 177.00 177.72 1xx9 s ILE 115 N -2.51 5.15 -0.22 0.56 1.01 -0.50 -4.93 121.20 119.76 1xx9 s ILE 115 Ca 0.55 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 61.25 1xx9 s ILE 115 Cb -0.10 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1xx9 s ILE 115 CO 0.32 -0.10 0.00 -0.69 0.00 0.00 0.00 174.94 174.47 1xx9 s VAL 116 N 2.07 3.84 -0.09 2.92 1.01 -1.26 -0.54 120.40 128.36 1xx9 s VAL 116 Ca 0.13 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1xx9 s VAL 116 Cb -0.16 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1xx9 s VAL 116 CO 0.12 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 174.76 1xx9 s VAL 117 N 1.27 1.54 -0.20 2.92 1.01 0.13 -0.13 120.40 126.94 1xx9 s VAL 117 Ca 0.04 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1xx9 s VAL 117 Cb -0.15 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1xx9 s VAL 117 CO 0.01 0.45 0.06 -0.31 0.00 0.00 0.00 175.10 175.31 1xx9 s TYR 118 N 0.61 3.20 0.35 5.22 1.51 0.13 0.23 117.35 128.59 1xx9 s TYR 118 Ca -0.15 -0.06 0.06 0.00 -1.01 0.00 0.00 57.07 55.92 1xx9 s TYR 118 Cb -0.16 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1xx9 s TYR 118 CO 0.05 0.01 0.23 0.95 -1.11 0.00 0.00 175.55 175.68 1xx9 s THR 119 N 0.72 0.17 0.75 -0.71 -4.23 -0.62 -1.23 115.64 110.49 1xx9 s THR 119 Ca 0.03 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.44 1xx9 s THR 119 Cb -0.13 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1xx9 s THR 119 CO 0.02 0.00 1.08 -2.84 -0.54 0.00 0.00 174.62 172.34 1xx9 s PRO 120 N -3.56 2.50 0.34 3.99 0.02 -1.26 -1.08 135.00 135.96 1xx9 s PRO 120 Ca 0.35 1.04 0.15 0.00 0.02 0.00 0.00 61.00 62.57 1xx9 s PRO 120 Cb 0.03 -1.93 1.11 0.00 0.02 0.00 0.00 34.50 33.72 1xx9 s PRO 120 CO 0.23 -1.43 1.65 0.22 -0.33 0.00 0.00 177.00 177.34 1xx9 h ASP 121 N -0.97 0.48 -0.65 2.53 1.82 -0.12 -2.16 116.42 117.36 1xx9 h ASP 121 Ca -0.44 0.20 -0.41 0.00 -0.39 0.00 0.00 57.03 55.99 1xx9 h ASP 121 Cb 1.23 0.15 -0.24 0.00 0.68 0.00 0.00 39.33 41.15 1xx9 h ASP 121 CO 0.54 -0.17 0.04 -0.46 -1.61 0.00 0.00 179.24 177.58 1xx9 n ASN 122 N -5.08 4.23 -4.06 2.28 2.04 -1.26 -4.90 115.26 108.50 1xx9 n ASN 122 Ca 0.32 -3.77 -0.31 0.00 -0.44 0.00 0.00 54.58 50.38 1xx9 n ASN 122 Cb 1.01 -0.67 -0.16 0.00 -2.53 0.00 0.00 39.78 37.43 1xx9 n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1xx9 s VAL 123 N -3.89 1.81 0.36 3.53 1.01 -0.81 -4.84 120.40 117.56 1xx9 s VAL 123 Ca 0.52 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1xx9 s VAL 123 Cb 0.44 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.08 1xx9 s VAL 123 CO 0.02 0.47 0.69 -1.81 0.00 0.00 0.00 175.10 174.47 1xx9 s ASP 124 N 1.39 6.52 -0.21 3.32 1.01 -0.19 -4.67 116.67 123.84 1xx9 s ASP 124 Ca 0.04 1.01 0.01 0.00 0.71 0.00 0.00 52.55 54.32 1xx9 s ASP 124 Cb -0.13 -2.27 0.04 0.00 1.01 0.00 0.00 42.92 41.57 1xx9 s ASP 124 CO -0.11 -0.31 -0.11 -0.69 0.21 0.00 0.00 175.17 174.16 1xx9 s VAL 125 N -2.23 1.73 0.34 -1.27 1.01 -1.26 -2.31 120.40 116.41 1xx9 s VAL 125 Ca 0.49 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1xx9 s VAL 125 Cb -0.10 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1xx9 s VAL 125 CO 0.29 0.16 0.10 -0.54 0.00 0.00 0.00 175.10 175.12 1xx9 s LYS 126 N 1.35 2.26 0.07 2.72 1.02 0.20 -4.95 119.74 122.42 1xx9 s LYS 126 Ca -0.02 -1.63 -0.11 0.00 0.02 0.00 0.00 55.97 54.23 1xx9 s LYS 126 Cb -0.16 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1xx9 s LYS 126 CO -0.08 0.11 0.24 1.52 -0.92 0.00 0.00 175.35 176.22 1xx9 s TYR 127 N -2.47 0.04 -0.00 3.18 1.13 -1.26 0.16 117.35 118.13 1xx9 s TYR 127 Ca 0.37 -0.35 0.00 0.00 -1.41 0.00 0.00 57.07 55.68 1xx9 s TYR 127 Cb -0.01 0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.87 1xx9 s TYR 127 CO 0.21 -0.53 0.00 0.50 -2.51 0.00 0.00 175.55 173.22 1xx9 s ARG 128 N -3.33 0.01 -0.10 -3.49 3.52 0.67 -4.93 118.95 111.30 1xx9 s ARG 128 Ca 0.01 0.01 -0.18 0.00 -0.13 0.00 0.00 55.73 55.44 1xx9 s ARG 128 Cb 0.02 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.34 1xx9 s ARG 128 CO -0.08 -0.01 0.47 0.08 -0.81 0.00 0.00 175.30 174.95 1xx9 s VAL 129 N 0.09 5.15 0.01 7.11 1.01 -1.26 0.14 120.40 132.64 1xx9 s VAL 129 Ca -0.01 0.95 0.05 0.00 0.00 0.00 0.00 61.98 62.98 1xx9 s VAL 129 Cb -0.01 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1xx9 s VAL 129 CO -0.00 0.36 -0.14 0.26 0.00 0.00 0.00 175.10 175.58 1xx9 s TRP 130 N 0.36 2.68 -0.07 5.22 0.52 0.15 -4.96 118.94 122.83 1xx9 s TRP 130 Ca 0.26 -0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.21 1xx9 s TRP 130 Cb -0.15 -1.54 0.02 0.00 -1.15 0.00 0.00 33.47 30.64 1xx9 s TRP 130 CO 0.11 0.27 -0.10 0.21 0.02 0.00 0.00 176.95 177.46 1xx9 s LYS 131 N -1.26 1.49 0.30 4.98 2.20 -1.26 -0.90 119.74 125.29 1xx9 s LYS 131 Ca 0.15 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.15 1xx9 s LYS 131 Cb -0.11 -1.35 -0.10 0.00 -1.51 0.00 0.00 37.83 34.76 1xx9 s LYS 131 CO 0.05 -0.07 1.25 0.00 -0.36 0.00 0.00 175.35 176.22 1xx9 s ALA 132 N 1.00 3.48 0.63 3.13 0.00 -0.64 -5.02 121.76 124.34 1xx9 s ALA 132 Ca -0.09 1.14 -0.10 0.00 0.00 0.00 0.00 51.96 52.92 1xx9 s ALA 132 Cb -0.15 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1xx9 s ALA 132 CO -0.00 -0.50 1.01 -1.21 0.00 0.00 0.00 175.76 175.06 1xx9 s GLU 133 N -1.45 3.28 0.00 0.00 2.02 -1.26 -5.00 118.70 116.29 1xx9 s GLU 133 Ca 0.49 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.99 1xx9 s GLU 133 Cb -0.37 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1xx9 s GLU 133 CO 0.48 -0.69 0.99 0.39 0.02 0.00 0.00 175.26 176.44 1xx9 n GLU 134 N -2.76 0.00 -1.64 1.61 -0.58 -1.26 -4.83 120.64 111.18 1xx9 n GLU 134 Ca 0.05 0.65 -0.41 0.00 -0.42 0.00 0.00 57.16 57.03 1xx9 n GLU 134 Cb 0.56 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.95 1xx9 n GLU 134 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1xx9 n LYS 135 N -2.28 1.49 -4.67 3.49 2.85 -1.26 -5.03 118.16 112.75 1xx9 n LYS 135 Ca 0.00 0.54 -0.33 0.00 -1.05 0.00 0.00 58.31 57.47 1xx9 n LYS 135 Cb 0.00 -2.15 -0.16 0.00 -0.65 0.00 0.00 35.03 32.08 1xx9 n LYS 135 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1xx9 s ILE 136 N -1.26 2.51 0.39 0.58 -1.09 -1.26 -5.13 121.20 115.94 1xx9 s ILE 136 Ca 0.63 -0.83 0.08 0.00 -2.23 0.00 0.00 60.65 58.30 1xx9 s ILE 136 Cb -0.54 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 1xx9 s ILE 136 CO 0.56 0.53 0.30 -1.81 -1.23 0.00 0.00 174.94 173.29 1xx9 s ASP 137 N 0.70 4.97 -0.05 3.58 1.01 -1.26 -5.13 116.67 120.49 1xx9 s ASP 137 Ca -0.08 -0.73 0.04 0.00 0.71 0.00 0.00 52.55 52.48 1xx9 s ASP 137 Cb -0.16 -0.68 -0.02 0.00 1.01 0.00 0.00 42.92 43.07 1xx9 s ASP 137 CO 0.01 -0.52 -0.15 0.20 0.21 0.00 0.00 175.17 174.93 1xx9 s ASN 138 N -4.03 3.97 0.82 0.27 0.01 -1.26 -5.11 114.94 109.61 1xx9 s ASN 138 Ca 0.44 -0.22 -0.11 0.00 -0.71 0.00 0.00 52.86 52.26 1xx9 s ASN 138 Cb -0.03 -0.89 0.08 0.00 0.41 0.00 0.00 41.25 40.83 1xx9 s ASN 138 CO 0.26 0.33 1.09 0.00 -1.51 0.00 0.00 177.10 177.27 1xx9 s ALA 139 N -0.63 2.00 -0.06 0.60 0.00 -1.26 -5.03 121.76 117.38 1xx9 s ALA 139 Ca 0.09 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 1xx9 s ALA 139 Cb -0.11 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1xx9 s ALA 139 CO 0.01 -1.95 -0.02 0.08 0.00 0.00 0.00 175.76 173.88 1xx9 s VAL 140 N -2.97 4.12 -0.39 0.00 1.01 -1.26 -5.07 120.40 115.83 1xx9 s VAL 140 Ca 0.62 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 1xx9 s VAL 140 Cb -0.17 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1xx9 s VAL 140 CO 0.56 0.56 0.88 -0.69 0.00 0.00 0.00 175.10 176.40 1xx9 s VAL 141 N -0.91 4.60 0.00 2.92 1.01 -1.26 -5.37 120.40 121.40 1xx9 s VAL 141 Ca 0.14 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1xx9 s VAL 141 Cb -0.11 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1xx9 s VAL 141 CO 0.04 -0.59 0.00 -2.11 0.00 0.00 0.00 175.10 172.44