#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlx s VAL 2 N 0.00 3.78 0.13 5.09 1.01 -1.26 -4.28 120.40 124.88 3mlx s VAL 2 Ca 0.00 1.17 0.05 0.00 0.00 0.00 0.00 61.98 63.20 3mlx s VAL 2 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3mlx s VAL 2 CO 0.00 0.01 -0.12 -1.10 0.00 0.00 0.00 175.10 173.88 3mlx s GLN 3 N 2.25 1.02 0.05 2.72 -0.21 -0.06 -4.97 119.66 120.47 3mlx s GLN 3 Ca 0.63 -1.30 0.07 0.00 0.02 0.00 0.00 55.36 54.78 3mlx s GLN 3 Cb -0.31 -0.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.91 3mlx s GLN 3 CO 0.26 0.13 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.84 3mlx s LEU 4 N -2.71 2.19 -0.14 2.90 1.02 -1.26 -1.27 118.68 119.41 3mlx s LEU 4 Ca 0.11 -0.55 -0.06 0.00 0.02 0.00 0.00 54.13 53.65 3mlx s LEU 4 Cb -0.02 -0.97 0.06 0.00 0.02 0.00 0.00 46.19 45.28 3mlx s LEU 4 CO 0.02 0.15 0.31 -1.58 0.02 0.00 0.00 176.35 175.27 3mlx s GLN 5 N -1.29 0.25 0.44 1.70 0.74 -0.75 -4.21 119.66 116.54 3mlx s GLN 5 Ca 0.07 0.72 -0.15 0.00 0.05 0.00 0.00 55.36 56.06 3mlx s GLN 5 Cb -0.09 -0.01 -0.08 0.00 1.10 0.00 0.00 33.01 33.93 3mlx s GLN 5 CO 0.02 -0.21 0.87 -1.21 -0.55 0.00 0.00 175.29 174.21 3mlx s GLU 6 N 1.81 3.92 -0.15 1.67 8.01 -1.26 -0.93 118.70 131.78 3mlx s GLU 6 Ca -0.05 0.76 -0.01 0.00 0.01 0.00 0.00 54.97 55.68 3mlx s GLU 6 Cb -0.11 -2.27 0.04 0.00 -4.31 0.00 0.00 34.13 27.48 3mlx s GLU 6 CO -0.10 -0.10 -0.05 0.45 0.01 0.00 0.00 175.26 175.46 3mlx s SER 7 N -2.90 2.57 0.23 -0.19 0.15 0.15 -4.89 113.70 108.81 3mlx s SER 7 Ca 0.56 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.71 3mlx s SER 7 Cb -0.10 -0.86 -0.05 0.00 -1.71 0.00 0.00 66.02 63.30 3mlx s SER 7 CO 0.28 -0.17 0.03 -0.83 1.20 0.00 0.00 173.24 173.74 3mlx s GLY 8 N 1.68 1.54 0.20 9.45 0.00 -1.26 -1.96 107.32 116.96 3mlx s GLY 8 Ca 0.02 -1.76 0.26 0.00 0.00 0.00 0.00 44.72 43.25 3mlx s GLY 8 CO -0.08 -1.62 1.76 -1.55 0.00 0.00 0.00 173.10 171.62 3mlx n PRO 9 N -0.39 0.25 0.00 2.90 -0.04 -1.26 -4.97 135.00 131.49 3mlx n PRO 9 Ca -0.04 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3mlx n PRO 9 Cb 0.64 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3mlx n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mlx n GLY 10 N 1.32 2.02 3.26 0.55 0.00 -1.26 -4.85 105.19 106.23 3mlx n GLY 10 Ca 0.06 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3mlx n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mlx s LEU 11 N 0.00 2.05 0.01 0.99 2.96 -1.26 -0.49 118.68 122.94 3mlx s LEU 11 Ca 0.00 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 3mlx s LEU 11 Cb 0.00 -1.33 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 3mlx s LEU 11 CO 0.00 0.25 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.55 3mlx s VAL 12 N -0.20 0.22 0.05 1.68 1.01 0.06 -4.95 120.40 118.27 3mlx s VAL 12 Ca -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 3mlx s VAL 12 Cb -0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.94 3mlx s VAL 12 CO 0.03 -0.13 0.41 -0.54 0.00 0.00 0.00 175.10 174.87 3mlx s LYS 13 N -0.59 3.83 0.46 2.72 -0.14 -1.26 -1.51 119.74 123.25 3mlx s LYS 13 Ca -0.04 0.28 -0.23 0.00 -1.36 0.00 0.00 55.97 54.62 3mlx s LYS 13 Cb -0.04 -3.08 -0.10 0.00 -1.68 0.00 0.00 37.83 32.94 3mlx s LYS 13 CO -0.00 0.61 0.98 -0.35 -0.76 0.00 0.00 175.35 175.83 3mlx n PRO 14 N 1.25 1.25 0.00 -1.68 -0.04 -1.26 -1.72 135.00 132.80 3mlx n PRO 14 Ca -0.10 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3mlx n PRO 14 Cb 0.52 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 3mlx n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mlx n SER 15 N 0.31 0.00 -4.36 3.54 3.41 0.35 -4.92 113.62 111.96 3mlx n SER 15 Ca 0.10 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.42 3mlx n SER 15 Cb 0.41 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.51 3mlx n SER 15 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3mlx s GLU 16 N -0.43 1.05 -0.13 4.33 2.02 -0.70 -3.97 118.70 120.87 3mlx s GLU 16 Ca 0.00 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 3mlx s GLU 16 Cb 0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 3mlx s GLU 16 CO 0.00 -2.11 0.05 0.99 0.02 0.00 0.00 175.26 174.20 3mlx s THR 17 N -3.72 4.68 -0.14 3.63 2.01 -1.26 -1.73 115.64 119.11 3mlx s THR 17 Ca 0.70 -0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 3mlx s THR 17 Cb -0.05 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 3mlx s THR 17 CO 0.51 0.55 0.41 -0.22 -0.69 0.00 0.00 174.62 175.18 3mlx s LEU 18 N -0.38 4.25 -0.16 4.42 2.96 0.17 -4.93 118.68 125.02 3mlx s LEU 18 Ca 0.09 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.70 3mlx s LEU 18 Cb -0.12 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 44.01 3mlx s LEU 18 CO 0.02 0.02 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.42 3mlx s SER 19 N 0.63 3.10 0.15 3.68 0.01 -1.26 -0.94 113.70 119.07 3mlx s SER 19 Ca 0.22 -0.62 0.09 0.00 1.31 0.00 0.00 55.95 56.95 3mlx s SER 19 Cb -0.14 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 3mlx s SER 19 CO 0.08 0.04 -0.21 -0.76 0.41 0.00 0.00 173.24 172.80 3mlx s LEU 20 N 1.06 2.39 0.01 2.44 1.43 -0.16 -4.50 118.68 121.35 3mlx s LEU 20 Ca -0.01 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 3mlx s LEU 20 Cb -0.14 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 3mlx s LEU 20 CO -0.07 0.03 -0.03 -0.89 0.23 0.00 0.00 176.35 175.62 3mlx s THR 21 N -1.69 0.22 -0.12 5.49 2.01 -0.83 -1.25 115.64 119.47 3mlx s THR 21 Ca 0.14 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.87 3mlx s THR 21 Cb -0.07 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.21 3mlx s THR 21 CO 0.07 -0.05 -0.22 0.00 -0.69 0.00 0.00 174.62 173.72 3mlx s THR 23 N 0.57 4.66 -0.22 0.00 2.01 -0.10 -2.66 115.64 119.90 3mlx s THR 23 Ca -0.13 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 3mlx s THR 23 Cb -0.17 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 3mlx s THR 23 CO 0.04 0.40 0.04 -0.69 -0.69 0.00 0.00 174.62 173.72 3mlx s VAL 24 N 0.93 4.31 0.22 3.82 1.01 -0.84 -1.81 120.40 128.05 3mlx s VAL 24 Ca 0.04 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 61.94 3mlx s VAL 24 Cb -0.14 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3mlx s VAL 24 CO 0.03 0.40 -0.18 -0.94 0.00 0.00 0.00 175.10 174.40 3mlx s SER 25 N 1.09 3.08 0.00 3.32 1.04 -0.40 -4.73 113.70 117.10 3mlx s SER 25 Ca 0.03 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3mlx s SER 25 Cb -0.14 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.76 3mlx s SER 25 CO 0.03 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3mlx n GLY 26 N -0.26 0.74 3.70 7.32 0.00 -1.26 -0.88 105.19 114.55 3mlx n GLY 26 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 3mlx n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mlx s GLY 27 N -2.00 -0.39 0.26 -0.02 0.00 -1.26 -4.16 107.32 99.75 3mlx s GLY 27 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 44.72 45.37 3mlx s GLY 27 CO 0.00 1.92 0.47 -0.45 0.00 0.00 0.00 173.10 175.04 3mlx s SER 28 N -3.25 6.37 0.44 1.64 0.15 -1.26 -4.96 113.70 112.83 3mlx s SER 28 Ca 0.19 0.46 0.24 0.00 0.70 0.00 0.00 55.95 57.55 3mlx s SER 28 Cb 0.05 -2.04 0.71 0.00 -1.71 0.00 0.00 66.02 63.04 3mlx s SER 28 CO -0.05 -0.15 1.74 0.40 1.20 0.00 0.00 173.24 176.38 3mlx h ILE 29 N 1.26 0.33 -2.75 6.45 1.08 -1.92 -3.46 117.51 118.50 3mlx h ILE 29 Ca -0.49 -1.15 -0.59 0.00 -0.39 0.00 0.00 64.86 62.25 3mlx h ILE 29 Cb 1.20 1.89 0.09 0.00 -3.07 0.00 0.00 36.82 36.93 3mlx h ILE 29 CO 0.65 0.16 0.48 -0.24 -0.69 0.00 0.00 178.15 178.52 3mlx n SER 30 N -3.21 2.42 0.00 1.72 2.88 -1.26 -2.90 113.62 113.27 3mlx n SER 30 Ca 0.02 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3mlx n SER 30 Cb 0.48 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 3mlx n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mlx n GLY 31 N 1.63 0.86 3.30 0.46 0.00 -1.26 -5.04 105.19 105.15 3mlx n GLY 31 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 3mlx n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mlx s PHE 32 N -3.40 1.45 -0.06 1.61 0.40 -1.14 -5.01 117.98 111.83 3mlx s PHE 32 Ca 0.00 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.43 3mlx s PHE 32 Cb 0.00 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 3mlx s PHE 32 CO 0.00 0.01 0.13 -1.01 0.70 0.00 0.00 175.22 175.05 3mlx s HIS 33 N -3.38 3.49 0.07 0.36 3.76 -1.26 -1.66 115.29 116.67 3mlx s HIS 33 Ca 0.24 0.39 0.07 0.00 -0.15 0.00 0.00 55.06 55.61 3mlx s HIS 33 Cb 0.04 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 3mlx s HIS 33 CO 0.06 0.65 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.82 3mlx s TRP 34 N -1.13 1.73 0.21 1.40 0.52 0.88 -1.39 118.94 121.15 3mlx s TRP 34 Ca 0.20 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.93 3mlx s TRP 34 Cb -0.12 -0.99 -0.05 0.00 -1.15 0.00 0.00 33.47 31.16 3mlx s TRP 34 CO 0.10 0.14 0.06 -1.12 0.02 0.00 0.00 176.95 176.14 3mlx s SER 35 N -1.51 1.01 -0.06 2.95 0.01 -0.11 0.03 113.70 116.01 3mlx s SER 35 Ca 0.06 -1.29 0.06 0.00 1.31 0.00 0.00 55.95 56.09 3mlx s SER 35 Cb -0.09 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 3mlx s SER 35 CO 0.03 -0.68 -0.24 0.26 0.41 0.00 0.00 173.24 173.02 3mlx s TRP 36 N -3.79 2.46 -0.02 2.43 0.52 -1.18 -0.72 118.94 118.64 3mlx s TRP 36 Ca 0.31 -0.71 0.02 0.00 0.02 0.00 0.00 56.10 55.75 3mlx s TRP 36 Cb 0.07 -1.61 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 3mlx s TRP 36 CO 0.09 -0.21 -0.06 0.42 0.02 0.00 0.00 176.95 177.21 3mlx s ILE 37 N -0.17 0.55 0.26 2.03 -1.09 0.91 -1.39 121.20 122.30 3mlx s ILE 37 Ca -0.03 -0.25 0.08 0.00 -2.23 0.00 0.00 60.65 58.21 3mlx s ILE 37 Cb -0.14 -0.49 -0.05 0.00 -1.58 0.00 0.00 42.46 40.20 3mlx s ILE 37 CO 0.04 0.18 -0.11 0.00 -1.23 0.00 0.00 174.94 173.81 3mlx s ARG 38 N 0.12 1.51 -0.26 2.79 1.70 -0.37 0.97 118.95 125.41 3mlx s ARG 38 Ca -0.01 -1.73 -0.01 0.00 -0.47 0.00 0.00 55.73 53.51 3mlx s ARG 38 Cb -0.06 -1.27 0.13 0.00 -0.57 0.00 0.00 34.95 33.18 3mlx s ARG 38 CO -0.00 0.14 0.33 -1.14 -1.08 0.00 0.00 175.30 173.55 3mlx s GLN 39 N -3.66 0.33 0.57 3.89 0.74 0.31 -1.00 119.66 120.84 3mlx s GLN 39 Ca 0.27 0.15 -0.20 0.00 0.05 0.00 0.00 55.36 55.63 3mlx s GLN 39 Cb 0.01 -0.62 -0.04 0.00 1.10 0.00 0.00 33.01 33.45 3mlx s GLN 39 CO 0.11 -0.87 1.23 -1.25 -0.55 0.00 0.00 175.29 173.96 3mlx s PRO 40 N 2.44 3.10 0.10 1.67 0.04 -1.26 -1.39 135.00 139.70 3mlx s PRO 40 Ca 0.10 1.91 -0.36 0.00 0.04 0.00 0.00 61.00 62.68 3mlx s PRO 40 Cb -0.14 -2.06 -0.16 0.00 0.04 0.00 0.00 34.50 32.18 3mlx s PRO 40 CO -0.25 -1.12 1.39 -0.35 0.04 0.00 0.00 177.00 176.71 3mlx n PRO 41 N -1.34 1.34 -0.79 0.56 -0.04 -1.26 -0.78 135.00 132.68 3mlx n PRO 41 Ca 0.12 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3mlx n PRO 41 Cb 0.48 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 3mlx n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mlx n GLY 42 N 2.71 0.70 1.91 0.55 0.00 -1.26 -4.98 105.19 104.82 3mlx n GLY 42 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3mlx n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mlx n LYS 43 N -2.00 1.14 -2.29 1.61 4.76 0.04 -5.15 118.16 116.26 3mlx n LYS 43 Ca 0.00 -1.77 -0.26 0.00 -2.87 0.00 0.00 58.31 53.41 3mlx n LYS 43 Cb 0.00 0.25 0.14 0.00 -1.84 0.00 0.00 35.03 33.59 3mlx n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3mlx s GLY 44 N -2.79 1.77 0.25 0.72 0.00 -1.26 -4.67 107.32 101.33 3mlx s GLY 44 Ca 0.12 -1.51 -0.22 0.00 0.00 0.00 0.00 44.72 43.12 3mlx s GLY 44 CO 0.08 -0.84 0.79 1.08 0.00 0.00 0.00 173.10 174.20 3mlx s LEU 45 N -5.49 4.36 -0.05 0.66 1.43 -1.26 -4.17 118.68 114.16 3mlx s LEU 45 Ca 0.70 1.55 -0.01 0.00 -1.03 0.00 0.00 54.13 55.34 3mlx s LEU 45 Cb -0.04 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.52 3mlx s LEU 45 CO 0.48 0.02 0.00 -0.70 0.23 0.00 0.00 176.35 176.38 3mlx s GLU 46 N -1.94 0.49 0.22 1.70 2.12 -0.17 -4.99 118.70 116.13 3mlx s GLU 46 Ca 0.44 0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.57 3mlx s GLU 46 Cb -0.18 -0.79 -0.08 0.00 0.26 0.00 0.00 34.13 33.34 3mlx s GLU 46 CO 0.22 -0.23 1.09 -0.47 -0.54 0.00 0.00 175.26 175.32 3mlx s TYR 47 N 1.61 3.62 -0.25 5.30 5.04 -1.26 -1.23 117.35 130.18 3mlx s TYR 47 Ca -0.01 1.66 0.02 0.00 -2.44 0.00 0.00 57.07 56.30 3mlx s TYR 47 Cb -0.13 -3.25 -0.16 0.00 0.35 0.00 0.00 41.96 38.77 3mlx s TYR 47 CO -0.03 -0.49 -0.22 -0.89 -1.34 0.00 0.00 175.55 172.57 3mlx n ILE 48 N 1.90 1.42 0.00 3.14 5.41 -0.49 -4.71 119.36 126.04 3mlx n ILE 48 Ca 0.01 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.22 3mlx n ILE 48 Cb 0.46 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.00 3mlx n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mlx n GLY 49 N 2.30 -0.56 3.15 7.39 0.00 -1.25 -0.80 105.19 115.41 3mlx n GLY 49 Ca -0.44 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 3mlx n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mlx s TYR 50 N -2.00 0.83 -0.04 1.61 -0.85 0.31 -3.11 117.35 114.10 3mlx s TYR 50 Ca 0.00 -0.87 -0.01 0.00 -0.52 0.00 0.00 57.07 55.67 3mlx s TYR 50 Cb 0.00 -0.49 0.03 0.00 0.38 0.00 0.00 41.96 41.89 3mlx s TYR 50 CO 0.00 -0.16 0.08 -1.50 -1.52 0.00 0.00 175.55 172.45 3mlx s ILE 51 N -3.33 -0.08 0.45 -3.49 2.07 0.10 -1.96 121.20 114.97 3mlx s ILE 51 Ca 0.08 0.24 -0.20 0.00 -1.41 0.00 0.00 60.65 59.36 3mlx s ILE 51 Cb 0.03 -0.16 -0.10 0.00 0.13 0.00 0.00 42.46 42.36 3mlx s ILE 51 CO -0.04 0.10 0.96 -0.47 -1.91 0.00 0.00 174.94 173.57 3mlx s TYR 52 N 1.32 3.34 0.47 3.50 5.04 0.06 -0.09 117.35 131.00 3mlx s TYR 52 Ca -0.07 1.57 0.23 0.00 -2.44 0.00 0.00 57.07 56.36 3mlx s TYR 52 Cb -0.12 -2.84 1.25 0.00 0.35 0.00 0.00 41.96 40.60 3mlx s TYR 52 CO -0.04 -0.19 1.90 0.10 -1.34 0.00 0.00 175.55 175.99 3mlx h TYR 53 N 1.66 0.28 0.00 4.97 -0.00 -1.56 0.17 116.97 122.49 3mlx h TYR 53 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.25 3mlx h TYR 53 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 36.73 37.83 3mlx h TYR 53 CO 0.62 0.08 0.00 -1.13 -0.00 0.00 0.00 178.16 177.74 3mlx n SER 54 N -4.41 0.23 0.00 0.10 3.41 -1.26 -4.88 113.62 106.80 3mlx n SER 54 Ca 0.16 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 3mlx n SER 54 Cb 0.72 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3mlx n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlx n GLY 55 N 0.81 2.31 3.77 5.00 0.00 0.61 -5.10 105.19 112.59 3mlx n GLY 55 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3mlx n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mlx s SER 56 N -1.88 6.02 0.26 1.61 0.01 -1.26 -4.72 113.70 113.74 3mlx s SER 56 Ca 0.00 2.87 0.05 0.00 1.31 0.00 0.00 55.95 60.18 3mlx s SER 56 Cb 0.00 -2.65 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 3mlx s SER 56 CO 0.00 -1.07 -0.02 0.42 0.41 0.00 0.00 173.24 172.98 3mlx s THR 57 N -1.21 1.32 -0.26 1.44 -4.23 -1.26 -0.76 115.64 110.67 3mlx s THR 57 Ca 0.59 -2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 3mlx s THR 57 Cb -0.43 -2.44 0.11 0.00 1.34 0.00 0.00 72.50 71.09 3mlx s THR 57 CO 0.55 -0.28 0.57 -0.55 -0.54 0.00 0.00 174.62 174.37 3mlx s SER 58 N -3.39 -0.83 0.07 3.99 0.15 -0.83 -4.99 113.70 107.87 3mlx s SER 58 Ca 0.30 1.36 0.07 0.00 0.70 0.00 0.00 55.95 58.38 3mlx s SER 58 Cb 0.05 1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 66.19 3mlx s SER 58 CO 0.11 -0.22 -0.13 -0.31 1.20 0.00 0.00 173.24 173.88 3mlx s TYR 59 N 2.63 2.68 0.07 3.44 4.12 -1.26 -0.53 117.35 128.50 3mlx s TYR 59 Ca -0.05 -0.18 -0.31 0.00 0.02 0.00 0.00 57.07 56.55 3mlx s TYR 59 Cb -0.11 -1.46 -0.10 0.00 -1.52 0.00 0.00 41.96 38.77 3mlx s TYR 59 CO -0.17 0.36 1.92 -1.71 0.02 0.00 0.00 175.55 175.97 3mlx n ASN 60 N 1.14 4.11 -0.36 2.29 2.85 0.02 -4.78 115.26 120.53 3mlx n ASN 60 Ca -0.15 0.94 0.27 0.00 -0.11 0.00 0.00 54.58 55.53 3mlx n ASN 60 Cb 0.52 -1.53 0.53 0.00 1.24 0.00 0.00 39.78 40.54 3mlx n ASN 60 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mlx h PRO 61 N 9.73 0.28 0.00 1.20 0.11 -1.94 0.18 132.00 141.55 3mlx h PRO 61 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3mlx h PRO 61 Cb 1.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3mlx h PRO 61 CO 0.94 0.18 -0.24 0.66 -0.21 0.00 0.00 178.00 179.33 3mlx h SER 62 N 0.29 0.00 -0.00 -2.05 4.64 -1.97 -3.07 113.55 111.38 3mlx h SER 62 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 3mlx h SER 62 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 3mlx h SER 62 CO -0.47 0.24 -0.66 0.18 -0.87 0.00 0.00 176.83 175.25 3mlx n LEU 63 N -3.61 0.68 -4.69 5.97 4.77 0.35 -4.98 117.00 115.49 3mlx n LEU 63 Ca -0.01 -0.50 -0.38 0.00 -0.03 0.00 0.00 56.01 55.09 3mlx n LEU 63 Cb 0.38 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3mlx n LEU 63 CO 0.34 0.17 0.80 1.17 -1.33 0.00 0.00 177.39 178.53 3mlx n LYS 64 N -1.31 1.25 0.00 3.23 4.81 0.27 -1.73 118.16 124.67 3mlx n LYS 64 Ca 0.03 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3mlx n LYS 64 Cb 0.22 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 32.87 3mlx n LYS 64 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3mlx n SER 65 N -1.12 0.00 0.00 3.14 3.41 -1.26 -4.66 113.62 113.13 3mlx n SER 65 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3mlx n SER 65 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3mlx n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mlx n ARG 66 N -2.00 4.72 -4.14 4.33 1.74 -0.71 -5.07 116.66 115.53 3mlx n ARG 66 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3mlx n ARG 66 Cb 0.00 -0.58 -0.08 0.00 -1.02 0.00 0.00 32.46 30.78 3mlx n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mlx s VAL 67 N -1.14 4.32 -0.24 1.55 1.01 -0.88 -4.11 120.40 120.91 3mlx s VAL 67 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 3mlx s VAL 67 Cb 0.00 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.43 3mlx s VAL 67 CO 0.00 0.23 0.62 -0.94 0.00 0.00 0.00 175.10 175.01 3mlx s SER 68 N -2.03 -0.73 0.12 3.32 1.04 -0.84 -4.94 113.70 109.64 3mlx s SER 68 Ca 0.25 1.30 0.07 0.00 0.48 0.00 0.00 55.95 58.05 3mlx s SER 68 Cb -0.12 1.26 -0.04 0.00 0.10 0.00 0.00 66.02 67.23 3mlx s SER 68 CO 0.16 -0.22 -0.18 -0.04 0.98 0.00 0.00 173.24 173.95 3mlx s MET 69 N 0.83 1.09 0.13 4.02 -1.94 -1.26 -0.70 119.30 121.47 3mlx s MET 69 Ca -0.04 -1.20 -0.05 0.00 -1.71 0.00 0.00 55.69 52.68 3mlx s MET 69 Cb -0.05 -1.18 -0.02 0.00 2.01 0.00 0.00 34.83 35.59 3mlx s MET 69 CO -0.07 0.25 0.16 -1.54 -0.01 0.00 0.00 175.02 173.81 3mlx s SER 70 N -2.18 0.19 0.00 3.03 1.04 -1.08 -4.97 113.70 109.73 3mlx s SER 70 Ca 0.08 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.57 3mlx s SER 70 Cb -0.08 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 3mlx s SER 70 CO 0.04 -0.78 -0.11 0.54 0.98 0.00 0.00 173.24 173.91 3mlx s VAL 71 N -3.98 0.90 -0.49 5.02 0.11 -1.26 -0.27 120.40 120.44 3mlx s VAL 71 Ca 0.17 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 3mlx s VAL 71 Cb 0.05 -0.78 0.14 0.00 -1.53 0.00 0.00 36.38 34.26 3mlx s VAL 71 CO -0.02 0.16 0.27 -0.62 -3.33 0.00 0.00 175.10 171.56 3mlx s ASP 72 N -0.51 3.94 0.46 3.54 3.68 0.13 -4.98 116.67 122.94 3mlx s ASP 72 Ca 0.03 -2.88 0.13 0.00 2.13 0.00 0.00 52.55 51.96 3mlx s ASP 72 Cb -0.05 -1.30 1.07 0.00 -1.45 0.00 0.00 42.92 41.18 3mlx s ASP 72 CO -0.00 -0.24 2.06 0.71 0.13 0.00 0.00 175.17 177.84 3mlx h THR 73 N 5.27 1.07 -0.14 1.71 1.35 -1.90 -0.22 112.91 120.05 3mlx h THR 73 Ca -0.02 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.51 3mlx h THR 73 Cb 0.90 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 3mlx h THR 73 CO 0.58 0.09 -0.12 0.77 -0.25 0.00 0.00 175.52 176.59 3mlx h SER 74 N 0.13 0.20 -0.26 5.36 4.64 -1.93 -2.38 113.55 119.31 3mlx h SER 74 Ca 0.03 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3mlx h SER 74 Cb 0.12 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3mlx h SER 74 CO 0.00 0.35 0.00 0.54 -0.87 0.00 0.00 176.83 176.85 3mlx n ARG 75 N -4.29 2.03 -3.79 4.77 1.74 -0.90 -4.97 116.66 111.24 3mlx n ARG 75 Ca -0.01 -1.87 -0.24 0.00 -0.77 0.00 0.00 57.85 54.96 3mlx n ARG 75 Cb 0.25 -1.34 0.02 0.00 -1.02 0.00 0.00 32.46 30.38 3mlx n ARG 75 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3mlx n ASN 76 N 0.90 -1.85 -4.19 0.55 5.15 -0.18 -4.79 115.26 110.85 3mlx n ASN 76 Ca 0.13 -0.84 -0.11 0.00 -0.60 0.00 0.00 54.58 53.15 3mlx n ASN 76 Cb 0.45 -3.86 -0.10 0.00 -0.53 0.00 0.00 39.78 35.73 3mlx n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3mlx s GLN 77 N -6.21 0.92 0.02 1.20 -0.21 -0.66 -1.99 119.66 112.72 3mlx s GLN 77 Ca 0.15 -1.39 -0.05 0.00 0.02 0.00 0.00 55.36 54.09 3mlx s GLN 77 Cb -0.08 -0.23 -0.01 0.00 1.00 0.00 0.00 33.01 33.70 3mlx s GLN 77 CO 0.83 -0.05 0.08 -0.59 -2.12 0.00 0.00 175.29 173.44 3mlx s PHE 78 N -3.63 0.15 0.36 0.91 -0.12 -1.09 0.18 117.98 114.73 3mlx s PHE 78 Ca 0.15 -0.35 0.03 0.00 -0.05 0.00 0.00 56.93 56.72 3mlx s PHE 78 Cb 0.05 -0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 3mlx s PHE 78 CO -0.02 -0.29 0.08 -1.12 -0.05 0.00 0.00 175.22 173.82 3mlx s SER 79 N -1.64 2.50 0.00 1.98 0.01 0.63 -1.15 113.70 116.03 3mlx s SER 79 Ca -0.12 -1.49 0.02 0.00 1.31 0.00 0.00 55.95 55.67 3mlx s SER 79 Cb -0.06 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 3mlx s SER 79 CO -0.01 -0.74 -0.06 -0.22 0.41 0.00 0.00 173.24 172.62 3mlx s LEU 80 N -3.53 2.06 -0.13 2.44 2.96 -0.38 -2.64 118.68 119.46 3mlx s LEU 80 Ca 0.31 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 3mlx s LEU 80 Cb 0.06 -0.29 0.04 0.00 0.50 0.00 0.00 46.19 46.50 3mlx s LEU 80 CO 0.15 0.03 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.56 3mlx s GLU 81 N -0.40 1.08 0.36 1.98 0.41 0.13 -0.99 118.70 121.26 3mlx s GLU 81 Ca 0.00 -0.25 0.09 0.00 -0.41 0.00 0.00 54.97 54.40 3mlx s GLU 81 Cb -0.04 -1.61 -0.07 0.00 -1.78 0.00 0.00 34.13 30.63 3mlx s GLU 81 CO -0.00 -0.39 -0.07 -1.17 -0.49 0.00 0.00 175.26 173.14 3mlx s LEU 82 N 1.79 2.77 0.00 1.80 2.96 -0.11 -2.00 118.68 125.89 3mlx s LEU 82 Ca 0.03 -1.22 0.00 0.00 -0.22 0.00 0.00 54.13 52.72 3mlx s LEU 82 Cb -0.14 -1.00 0.00 0.00 0.50 0.00 0.00 46.19 45.56 3mlx s LEU 82 CO -0.07 -0.25 0.00 -1.20 -1.32 0.00 0.00 176.35 173.51 3mlx n SER 82 N -0.83 0.00 -4.76 3.68 7.64 -1.00 0.46 113.62 118.81 3mlx n SER 82 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 3mlx n SER 82 Cb 0.64 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.94 3mlx n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3mlx s VAL 82 N -1.18 3.16 0.29 0.44 -7.23 -0.70 -4.59 120.40 110.58 3mlx s VAL 82 Ca 0.00 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 3mlx s VAL 82 Cb 0.00 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 3mlx s VAL 82 CO 0.00 -0.49 0.30 0.42 -0.31 0.00 0.00 175.10 175.02 3mlx s THR 83 N -2.91 0.00 0.54 5.32 -4.23 -1.26 -0.49 115.64 112.60 3mlx s THR 83 Ca 0.62 -1.84 0.28 0.00 -1.18 0.00 0.00 61.69 59.56 3mlx s THR 83 Cb -0.17 -2.51 0.42 0.00 1.34 0.00 0.00 72.50 71.58 3mlx s THR 83 CO 0.56 0.00 1.96 0.00 -0.54 0.00 0.00 174.62 176.60 3mlx h ALA 84 N 2.29 2.55 0.00 3.99 0.00 -1.86 0.24 119.26 126.46 3mlx h ALA 84 Ca -0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3mlx h ALA 84 Cb 1.24 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mlx h ALA 84 CO 0.42 -0.78 -0.03 0.00 0.00 0.00 0.00 179.25 178.86 3mlx h ALA 85 N 1.66 1.21 -0.01 0.00 0.00 -1.93 -1.62 119.26 118.57 3mlx h ALA 85 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3mlx h ALA 85 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mlx h ALA 85 CO -0.00 0.04 -0.04 -0.25 0.00 0.00 0.00 179.25 178.99 3mlx n ASP 86 N -3.42 0.78 -4.68 0.00 8.00 0.84 -4.84 116.55 113.22 3mlx n ASP 86 Ca -0.02 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 3mlx n ASP 86 Cb 0.14 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3mlx n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mlx s THR 87 N -2.15 3.45 -0.07 -3.53 2.01 -0.61 -4.89 115.64 109.85 3mlx s THR 87 Ca 0.38 0.83 -0.32 0.00 0.31 0.00 0.00 61.69 62.88 3mlx s THR 87 Cb 0.21 -3.53 0.14 0.00 0.01 0.00 0.00 72.50 69.32 3mlx s THR 87 CO 0.39 -0.01 1.39 0.00 -0.69 0.00 0.00 174.62 175.70 3mlx s ALA 88 N 2.69 -2.44 -0.16 7.40 0.00 -0.87 -4.34 121.76 124.04 3mlx s ALA 88 Ca 0.69 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 53.26 3mlx s ALA 88 Cb -0.35 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 3mlx s ALA 88 CO 0.29 -1.07 0.63 0.08 0.00 0.00 0.00 175.76 175.69 3mlx s VAL 89 N -2.15 5.05 -0.21 0.00 1.01 -0.49 -1.11 120.40 122.51 3mlx s VAL 89 Ca 0.16 1.22 -0.08 0.00 0.00 0.00 0.00 61.98 63.28 3mlx s VAL 89 Cb 0.06 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3mlx s VAL 89 CO -0.06 0.17 0.08 -0.31 0.00 0.00 0.00 175.10 174.99 3mlx s TYR 90 N 1.49 3.23 -0.01 5.22 1.51 -0.28 -0.53 117.35 127.98 3mlx s TYR 90 Ca 0.30 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.42 3mlx s TYR 90 Cb -0.16 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 3mlx s TYR 90 CO 0.12 0.04 -0.14 0.71 -1.11 0.00 0.00 175.55 175.17 3mlx s TYR 91 N 0.75 2.70 0.11 2.71 2.02 0.27 -1.41 117.35 124.50 3mlx s TYR 91 Ca 0.04 -0.16 0.05 0.00 -0.37 0.00 0.00 57.07 56.63 3mlx s TYR 91 Cb -0.13 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 3mlx s TYR 91 CO 0.02 0.25 0.06 0.00 -1.57 0.00 0.00 175.55 174.31 3mlx s ALA 93 N -1.48 -0.85 -0.13 0.00 0.00 0.10 -1.38 121.76 118.02 3mlx s ALA 93 Ca 0.28 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 3mlx s ALA 93 Cb -0.11 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3mlx s ALA 93 CO 0.21 -0.79 0.11 0.50 0.00 0.00 0.00 175.76 175.79 3mlx s ARG 94 N -3.88 3.51 0.40 0.00 3.52 -0.35 -0.93 118.95 121.21 3mlx s ARG 94 Ca 0.10 -0.20 0.08 0.00 -0.13 0.00 0.00 55.73 55.58 3mlx s ARG 94 Cb -0.01 -3.16 -0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3mlx s ARG 94 CO -0.02 0.67 0.48 -0.51 -0.81 0.00 0.00 175.30 175.10 3mlx s ASP 95 N -0.72 5.50 0.15 -2.12 -0.00 -0.49 -1.83 116.67 117.16 3mlx s ASP 95 Ca 0.13 -0.49 -0.17 0.00 -0.00 0.00 0.00 52.55 52.02 3mlx s ASP 95 Cb -0.12 -0.74 0.04 0.00 -0.00 0.00 0.00 42.92 42.10 3mlx s ASP 95 CO 0.03 -0.65 0.46 0.72 -0.00 0.00 0.00 175.17 175.73 3mlx s PHE 96 N -2.36 -0.22 0.00 4.23 -0.12 -0.91 -4.60 117.98 114.00 3mlx s PHE 96 Ca 0.50 -0.09 0.00 0.00 -0.05 0.00 0.00 56.93 57.30 3mlx s PHE 96 Cb -0.08 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 3mlx s PHE 96 CO 0.31 -0.78 0.00 0.41 -0.05 0.00 0.00 175.22 175.11 3mlx n GLY 97 N -0.28 -0.65 3.26 1.99 0.00 -1.26 -1.79 105.19 106.46 3mlx n GLY 97 Ca -0.14 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 3mlx n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mlx s GLU 98 N -0.88 1.10 0.36 1.61 2.02 -0.76 -4.94 118.70 117.20 3mlx s GLU 98 Ca 0.00 -1.48 0.09 0.00 0.02 0.00 0.00 54.97 53.60 3mlx s GLU 98 Cb 0.00 -0.63 -0.07 0.00 0.10 0.00 0.00 34.13 33.53 3mlx s GLU 98 CO 0.00 0.06 -0.07 0.71 0.02 0.00 0.00 175.26 175.98 3mlx s TYR 99 N -3.33 2.42 -0.18 1.61 1.51 -1.26 0.09 117.35 118.21 3mlx s TYR 99 Ca 0.18 -0.55 -0.11 0.00 -1.01 0.00 0.00 57.07 55.58 3mlx s TYR 99 Cb 0.03 -1.47 0.06 0.00 -0.11 0.00 0.00 41.96 40.47 3mlx s TYR 99 CO 0.02 0.54 0.44 -1.01 -1.11 0.00 0.00 175.55 174.43 3mlx s HIS 100 N -2.65 -0.63 -1.18 2.71 3.76 -1.18 -4.95 115.29 111.17 3mlx s HIS 100 Ca 0.33 1.36 0.26 0.00 -0.15 0.00 0.00 55.06 56.86 3mlx s HIS 100 Cb 0.04 0.29 0.75 0.00 1.11 0.00 0.00 32.58 34.77 3mlx s HIS 100 CO 0.17 -0.35 1.57 0.66 -0.85 0.00 0.00 174.74 175.95 3mlx n TYR 100 N 4.06 0.00 0.90 1.40 4.02 -1.26 -2.32 117.16 123.96 3mlx n TYR 100 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 3mlx n TYR 100 Cb 0.56 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 3mlx n TYR 100 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3mlx n ASP 100 N -1.32 0.50 0.00 7.72 5.75 -1.26 -4.74 116.55 123.20 3mlx n ASP 100 Ca 0.08 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 3mlx n ASP 100 Cb 0.33 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 3mlx n ASP 100 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mlx n GLY 100 N 0.16 1.78 0.35 6.12 0.00 -1.25 -4.91 105.19 107.44 3mlx n GLY 100 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3mlx n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mlx h ARG 100 N 3.01 0.98 0.00 1.61 3.08 -1.85 -3.48 114.38 117.72 3mlx h ARG 100 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3mlx h ARG 100 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.83 3mlx h ARG 100 CO 0.00 0.65 0.00 0.41 -1.07 0.00 0.00 179.97 179.96 3mlx n GLY 100 N -1.42 -0.96 3.73 0.04 0.00 -0.98 -4.83 105.19 100.77 3mlx n GLY 100 Ca 0.09 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3mlx n GLY 100 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mlx s PHE 100 N 0.00 3.09 -0.32 1.61 5.36 -1.26 -3.10 117.98 123.36 3mlx s PHE 100 Ca 0.00 0.93 -0.02 0.00 -0.96 0.00 0.00 56.93 56.88 3mlx s PHE 100 Cb 0.00 -3.81 0.06 0.00 -0.34 0.00 0.00 43.02 38.94 3mlx s PHE 100 CO 0.00 -2.75 0.04 -0.65 -1.46 0.00 0.00 175.22 170.40 3mlx s GLN 100 N 0.29 2.34 -0.49 10.12 -0.21 0.11 -5.00 119.66 126.83 3mlx s GLN 100 Ca 0.63 -1.37 -0.29 0.00 0.02 0.00 0.00 55.36 54.35 3mlx s GLN 100 Cb -0.41 -3.26 0.02 0.00 1.00 0.00 0.00 33.01 30.36 3mlx s GLN 100 CO 0.37 -0.70 1.31 0.00 -2.12 0.00 0.00 175.29 174.15 3mlx n GLU 100 N 8.21 1.99 -3.85 0.00 1.02 -0.74 -5.00 120.64 122.27 3mlx n GLU 100 Ca 0.13 -0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.20 3mlx n GLU 100 Cb 0.49 -1.22 0.01 0.00 -0.02 0.00 0.00 31.44 30.70 3mlx n GLU 100 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3mlx s GLY 100 N -2.39 -0.04 -0.07 0.62 0.00 -1.00 -5.00 107.32 99.44 3mlx s GLY 100 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.67 3mlx s GLY 100 CO 0.61 2.15 0.04 -1.36 0.00 0.00 0.00 173.10 174.54 3mlx s PHE 100 N -2.38 0.32 -0.11 1.90 0.08 -1.26 -2.14 117.98 114.38 3mlx s PHE 100 Ca 0.20 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.29 3mlx s PHE 100 Cb -0.01 -0.63 -0.24 0.00 -0.57 0.00 0.00 43.02 41.56 3mlx s PHE 100 CO 0.03 -0.29 0.38 -0.40 -0.10 0.00 0.00 175.22 174.84 3mlx n ASP 101 N 5.24 1.50 -4.47 1.36 5.75 -0.76 -4.90 116.55 120.26 3mlx n ASP 101 Ca -0.05 0.23 -0.33 0.00 -0.01 0.00 0.00 54.79 54.62 3mlx n ASP 101 Cb 0.50 -0.38 -0.13 0.00 -1.03 0.00 0.00 41.12 40.08 3mlx n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3mlx s LEU 102 N -6.52 2.89 0.06 -2.12 1.02 -1.25 -4.98 118.68 107.77 3mlx s LEU 102 Ca -0.17 -0.18 0.05 0.00 0.02 0.00 0.00 54.13 53.85 3mlx s LEU 102 Cb 0.07 -1.63 -0.03 0.00 0.02 0.00 0.00 46.19 44.63 3mlx s LEU 102 CO 0.78 0.28 -0.13 0.26 0.02 0.00 0.00 176.35 177.55 3mlx s TRP 103 N -0.30 1.12 0.87 0.29 0.52 -1.26 -1.21 118.94 118.96 3mlx s TRP 103 Ca 0.03 -0.43 -0.11 0.00 0.02 0.00 0.00 56.10 55.61 3mlx s TRP 103 Cb -0.13 -0.64 0.17 0.00 -1.15 0.00 0.00 33.47 31.71 3mlx s TRP 103 CO 0.03 0.03 1.21 0.20 0.02 0.00 0.00 176.95 178.43 3mlx s GLY 104 N -1.53 1.76 0.40 0.98 0.00 -0.48 -4.58 107.32 103.86 3mlx s GLY 104 Ca -0.02 -1.31 0.21 0.00 0.00 0.00 0.00 44.72 43.61 3mlx s GLY 104 CO 0.02 -0.63 1.69 0.06 0.00 0.00 0.00 173.10 174.24 3mlx h GLN 105 N -1.24 0.00 0.00 2.90 3.07 -1.91 -3.45 115.11 114.48 3mlx h GLN 105 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 3mlx h GLN 105 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 3mlx h GLN 105 CO 0.41 0.27 0.00 0.41 0.09 0.00 0.00 178.83 180.01 3mlx n GLY 106 N 0.60 1.14 2.98 0.06 0.00 -1.26 -5.02 105.19 103.69 3mlx n GLY 106 Ca 0.01 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 3mlx n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mlx s THR 107 N -2.33 1.09 -0.23 2.61 -1.32 -0.50 -4.88 115.64 110.08 3mlx s THR 107 Ca 0.00 -0.41 -0.29 0.00 -1.21 0.00 0.00 61.69 59.78 3mlx s THR 107 Cb 0.00 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3mlx s THR 107 CO 0.00 0.36 1.15 -0.22 -2.21 0.00 0.00 174.62 173.70 3mlx s LEU 108 N 1.03 4.09 -0.27 9.08 2.96 -1.26 -1.12 118.68 133.17 3mlx s LEU 108 Ca -0.08 1.43 -0.08 0.00 -0.22 0.00 0.00 54.13 55.19 3mlx s LEU 108 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 3mlx s LEU 108 CO -0.01 -0.77 0.09 -0.69 -1.32 0.00 0.00 176.35 173.66 3mlx s VAL 109 N 3.48 4.33 -0.26 1.68 1.01 -0.27 -4.28 120.40 126.10 3mlx s VAL 109 Ca 0.49 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 3mlx s VAL 109 Cb -0.17 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3mlx s VAL 109 CO 0.12 0.22 0.11 -0.89 0.00 0.00 0.00 175.10 174.66 3mlx s THR 110 N 1.60 4.70 -0.39 3.92 2.01 0.36 -2.06 115.64 125.77 3mlx s THR 110 Ca 0.05 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 3mlx s THR 110 Cb -0.16 -3.21 0.04 0.00 0.01 0.00 0.00 72.50 69.18 3mlx s THR 110 CO 0.04 0.31 0.23 -0.69 -0.69 0.00 0.00 174.62 173.82 3mlx s VAL 111 N 1.59 4.55 -0.19 3.82 1.01 -1.26 -0.76 120.40 129.17 3mlx s VAL 111 Ca 0.06 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 3mlx s VAL 111 Cb -0.15 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.69 3mlx s VAL 111 CO 0.06 -0.31 0.66 -0.55 0.00 0.00 0.00 175.10 174.96 3mlx s SER 112 N 1.71 -0.67 0.00 3.32 0.15 -0.57 -4.46 113.70 113.18 3mlx s SER 112 Ca 0.02 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.81 3mlx s SER 112 Cb -0.20 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 3mlx s SER 112 CO 0.06 -0.35 0.60 -1.54 1.20 0.00 0.00 173.24 173.21 3mlx n SER 113 N 2.17 0.97 -4.75 5.45 3.41 -1.26 -4.39 113.62 115.22 3mlx n SER 113 Ca -0.16 -1.36 -0.42 0.00 -0.26 0.00 0.00 58.87 56.68 3mlx n SER 113 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 3mlx n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mlx n ALA 114 N -0.18 2.30 -2.87 7.33 0.00 -1.26 -5.02 120.51 120.81 3mlx n ALA 114 Ca 0.00 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 3mlx n ALA 114 Cb 0.24 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 3mlx n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3mlx s SER 115 N 0.20 5.91 0.16 0.00 0.01 -1.26 -5.02 113.70 113.69 3mlx s SER 115 Ca 0.60 -0.10 -0.34 0.00 1.31 0.00 0.00 55.95 57.41 3mlx s SER 115 Cb -0.50 -1.60 -0.14 0.00 0.21 0.00 0.00 66.02 63.98 3mlx s SER 115 CO 0.55 -0.08 1.51 0.41 0.41 0.00 0.00 173.24 176.04 3mlx n THR 116 N -1.31 0.14 -3.68 1.44 -1.04 -1.26 -4.68 114.28 103.89 3mlx n THR 116 Ca -0.08 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 61.81 3mlx n THR 116 Cb 0.58 -1.40 -0.10 0.00 -1.82 0.00 0.00 70.33 67.59 3mlx n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3mlx s LYS 117 N 0.65 0.47 0.69 -2.82 2.20 0.57 -4.95 119.74 116.54 3mlx s LYS 117 Ca 0.78 0.93 -0.12 0.00 -0.36 0.00 0.00 55.97 57.20 3mlx s LYS 117 Cb -0.72 0.07 0.01 0.00 -1.51 0.00 0.00 37.83 35.68 3mlx s LYS 117 CO 0.41 -0.17 1.08 0.20 -0.36 0.00 0.00 175.35 176.51 3mlx s GLY 118 N 1.61 1.85 0.50 5.54 0.00 -1.26 -1.52 107.32 114.03 3mlx s GLY 118 Ca -0.09 0.28 -0.09 0.00 0.00 0.00 0.00 44.72 44.83 3mlx s GLY 118 CO -0.15 0.61 0.85 2.56 0.00 0.00 0.00 173.10 176.98 3mlx s PRO 119 N -4.64 3.64 -0.19 2.90 0.04 -1.26 -4.61 135.00 130.87 3mlx s PRO 119 Ca 0.62 0.45 -0.09 0.00 0.04 0.00 0.00 61.00 62.01 3mlx s PRO 119 Cb -0.17 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 3mlx s PRO 119 CO 0.49 -0.26 0.13 -1.12 0.04 0.00 0.00 177.00 176.28 3mlx s SER 120 N -3.83 6.21 -0.16 6.66 0.01 -0.41 -4.90 113.70 117.26 3mlx s SER 120 Ca 0.51 0.26 -0.05 0.00 1.31 0.00 0.00 55.95 57.98 3mlx s SER 120 Cb -0.10 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 3mlx s SER 120 CO 0.43 0.21 -0.01 -0.69 0.41 0.00 0.00 173.24 173.59 3mlx s VAL 121 N 0.17 4.10 0.04 3.43 1.01 -1.26 -1.13 120.40 126.76 3mlx s VAL 121 Ca 0.09 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3mlx s VAL 121 Cb -0.11 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3mlx s VAL 121 CO -0.01 0.48 -0.23 -0.36 0.00 0.00 0.00 175.10 174.98 3mlx s PHE 122 N 0.41 2.04 0.29 5.22 0.08 -0.48 -4.97 117.98 120.58 3mlx s PHE 122 Ca -0.02 -0.39 -0.26 0.00 0.12 0.00 0.00 56.93 56.38 3mlx s PHE 122 Cb -0.14 -1.23 -0.09 0.00 -0.57 0.00 0.00 43.02 40.99 3mlx s PHE 122 CO 0.02 0.10 0.90 -1.25 -0.10 0.00 0.00 175.22 174.90 3mlx s PRO 123 N -1.17 4.57 -0.66 0.24 0.04 -1.26 -0.49 135.00 136.26 3mlx s PRO 123 Ca 0.09 1.27 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 3mlx s PRO 123 Cb -0.09 -2.90 0.17 0.00 0.04 0.00 0.00 34.50 31.72 3mlx s PRO 123 CO 0.02 0.34 0.48 -0.51 0.04 0.00 0.00 177.00 177.37 3mlx s LEU 124 N -1.89 5.31 0.54 -3.56 1.43 0.11 -4.84 118.68 115.77 3mlx s LEU 124 Ca 0.47 -2.95 -0.22 0.00 -1.03 0.00 0.00 54.13 50.40 3mlx s LEU 124 Cb -0.19 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 3mlx s LEU 124 CO 0.24 -0.35 1.31 0.00 0.23 0.00 0.00 176.35 177.78 3mlx s ALA 125 N -0.21 2.81 0.26 4.21 0.00 -1.26 -0.96 121.76 126.62 3mlx s ALA 125 Ca 0.18 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 3mlx s ALA 125 Cb -0.19 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 3mlx s ALA 125 CO -0.04 -1.23 1.14 -1.25 0.00 0.00 0.00 175.76 174.38 3mlx s PRO 126 N -2.92 4.57 0.57 0.00 0.04 -1.26 -4.85 135.00 131.16 3mlx s PRO 126 Ca 0.71 1.87 -0.18 0.00 0.04 0.00 0.00 61.00 63.44 3mlx s PRO 126 Cb -0.37 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 30.88 3mlx s PRO 126 CO 0.44 0.10 0.29 -1.13 0.04 0.00 0.00 177.00 176.74 3mlx n SER 127 N 1.44 -1.99 -4.44 6.66 3.41 -1.26 -4.74 113.62 112.70 3mlx n SER 127 Ca 0.00 0.69 -0.44 0.00 -0.26 0.00 0.00 58.87 58.86 3mlx n SER 127 Cb 0.44 -1.07 -0.01 0.00 -0.26 0.00 0.00 64.21 63.32 3mlx n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mlx n SER 128 N 1.13 -0.93 -2.45 4.04 3.41 -1.26 -4.83 113.62 112.74 3mlx n SER 128 Ca 0.10 1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 59.48 3mlx n SER 128 Cb 0.48 -1.06 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 3mlx n SER 128 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mlx n LYS 129 N 0.85 2.54 -2.98 4.33 5.02 -1.26 -4.77 118.16 121.90 3mlx n LYS 129 Ca 0.13 -1.89 -0.44 0.00 -2.02 0.00 0.00 58.31 54.09 3mlx n LYS 129 Cb 0.34 -2.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.14 3mlx n LYS 129 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3mlx s SER 130 N 1.17 6.49 0.00 4.39 1.04 -1.26 -4.30 113.70 121.23 3mlx s SER 130 Ca 0.63 -1.83 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3mlx s SER 130 Cb 0.32 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 64.07 3mlx s SER 130 CO -0.11 -1.09 0.00 0.41 0.98 0.00 0.00 173.24 173.43 3mlx n THR 131 N 5.43 0.00 -1.56 2.02 -1.04 -1.26 -4.98 114.28 112.89 3mlx n THR 131 Ca 0.13 0.00 -0.54 0.00 -2.04 0.00 0.00 64.05 61.60 3mlx n THR 131 Cb 0.47 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.92 3mlx n THR 131 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3mlx n SER 132 N 0.33 1.16 -1.06 8.00 3.41 -1.26 -4.88 113.62 119.33 3mlx n SER 132 Ca 0.00 1.13 -0.06 0.00 -0.26 0.00 0.00 58.87 59.69 3mlx n SER 132 Cb 0.00 -1.12 -0.06 0.00 -0.26 0.00 0.00 64.21 62.77 3mlx n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlx n GLY 133 N 2.22 0.57 0.00 5.00 0.00 -1.26 -4.94 105.19 106.77 3mlx n GLY 133 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3mlx n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mlx n GLY 134 N 0.06 2.17 3.71 -0.02 0.00 -1.26 -4.71 105.19 105.14 3mlx n GLY 134 Ca -0.23 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3mlx n GLY 134 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mlx s THR 135 N 2.76 4.97 0.12 2.61 -1.32 -1.26 0.19 115.64 123.71 3mlx s THR 135 Ca 0.00 0.02 0.09 0.00 -1.21 0.00 0.00 61.69 60.59 3mlx s THR 135 Cb 0.00 -3.21 -0.04 0.00 -1.51 0.00 0.00 72.50 67.74 3mlx s THR 135 CO 0.00 0.51 -0.22 0.00 -2.21 0.00 0.00 174.62 172.70 3mlx s ALA 136 N -0.09 1.95 -0.07 11.08 0.00 0.19 -4.83 121.76 130.00 3mlx s ALA 136 Ca 0.08 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.73 3mlx s ALA 136 Cb -0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3mlx s ALA 136 CO 0.01 0.37 -0.14 0.00 0.00 0.00 0.00 175.76 176.00 3mlx s ALA 137 N -1.31 2.66 0.14 0.00 0.00 -1.26 -0.79 121.76 121.21 3mlx s ALA 137 Ca 0.10 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 3mlx s ALA 137 Cb -0.09 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 3mlx s ALA 137 CO 0.05 0.47 0.22 -0.48 0.00 0.00 0.00 175.76 176.02 3mlx s LEU 138 N -0.42 1.22 0.00 0.00 0.05 -0.77 -3.98 118.68 114.78 3mlx s LEU 138 Ca 0.05 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.33 3mlx s LEU 138 Cb -0.12 0.98 0.00 0.00 -2.05 0.00 0.00 46.19 45.00 3mlx s LEU 138 CO 0.02 -0.83 0.00 0.61 -0.55 0.00 0.00 176.35 175.60 3mlx n GLY 139 N -0.16 1.04 2.93 -3.48 0.00 -0.13 -0.07 105.19 105.32 3mlx n GLY 139 Ca -0.08 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 3mlx n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlx s LEU 141 N 0.24 4.17 -0.52 0.00 2.96 0.35 -1.54 118.68 124.33 3mlx s LEU 141 Ca -0.02 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.57 3mlx s LEU 141 Cb -0.06 -2.11 0.12 0.00 0.50 0.00 0.00 46.19 44.64 3mlx s LEU 141 CO -0.00 -0.12 0.47 -0.69 -1.32 0.00 0.00 176.35 174.69 3mlx s VAL 142 N 1.74 5.04 -0.01 1.68 1.01 0.59 -1.38 120.40 129.07 3mlx s VAL 142 Ca 0.07 -1.52 0.01 0.00 0.00 0.00 0.00 61.98 60.53 3mlx s VAL 142 Cb -0.16 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3mlx s VAL 142 CO 0.10 -0.83 0.03 -0.75 0.00 0.00 0.00 175.10 173.65 3mlx s LYS 143 N 1.56 2.89 -0.86 2.72 2.20 -0.28 -1.05 119.74 126.93 3mlx s LYS 143 Ca 0.03 -0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 55.05 3mlx s LYS 143 Cb -0.29 -2.74 -0.00 0.00 -1.51 0.00 0.00 37.83 33.29 3mlx s LYS 143 CO 0.03 0.64 0.67 -0.25 -0.36 0.00 0.00 175.35 176.07 3mlx n ASP 144 N 1.38 -5.89 -4.34 1.43 8.00 -0.56 -1.29 116.55 115.28 3mlx n ASP 144 Ca -0.14 -0.69 -0.19 0.00 0.71 0.00 0.00 54.79 54.48 3mlx n ASP 144 Cb 0.53 -3.15 -0.10 0.00 -0.02 0.00 0.00 41.12 38.38 3mlx n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mlx s TYR 145 N -3.08 1.70 -0.27 1.24 -0.85 -0.44 -4.42 117.35 111.23 3mlx s TYR 145 Ca 0.09 -0.56 -0.25 0.00 -0.52 0.00 0.00 57.07 55.83 3mlx s TYR 145 Cb -0.03 -0.80 0.09 0.00 0.38 0.00 0.00 41.96 41.59 3mlx s TYR 145 CO 0.84 0.34 0.82 0.12 -1.52 0.00 0.00 175.55 176.16 3mlx s PHE 146 N -2.83 -0.70 0.59 -3.49 2.19 -0.57 -0.76 117.98 112.41 3mlx s PHE 146 Ca 0.21 1.69 0.00 0.00 0.33 0.00 0.00 56.93 59.16 3mlx s PHE 146 Cb -0.01 0.31 0.12 0.00 -1.31 0.00 0.00 43.02 42.12 3mlx s PHE 146 CO 0.07 -0.34 0.80 -0.35 1.83 0.00 0.00 175.22 177.23 3mlx n PRO 147 N 2.60 0.04 -1.45 10.12 -0.04 -1.26 -0.32 135.00 144.69 3mlx n PRO 147 Ca -0.14 -2.20 -0.32 0.00 -0.04 0.00 0.00 63.50 60.80 3mlx n PRO 147 Cb 0.55 -0.53 0.07 0.00 -0.04 0.00 0.00 33.50 33.56 3mlx n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mlx s GLU 148 N -4.57 2.47 0.51 0.54 0.41 -1.26 -4.75 118.70 112.04 3mlx s GLU 148 Ca 0.53 1.26 0.06 0.00 -0.41 0.00 0.00 54.97 56.41 3mlx s GLU 148 Cb -0.03 -1.92 0.02 0.00 -1.78 0.00 0.00 34.13 30.42 3mlx s GLU 148 CO 0.35 -1.49 0.37 -1.25 -0.49 0.00 0.00 175.26 172.75 3mlx s PRO 149 N -4.58 2.29 0.12 0.39 0.04 -1.26 -5.00 135.00 127.00 3mlx s PRO 149 Ca 0.63 -1.93 0.07 0.00 0.04 0.00 0.00 61.00 59.82 3mlx s PRO 149 Cb -0.18 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 3mlx s PRO 149 CO 0.50 -0.49 -0.16 0.14 0.04 0.00 0.00 177.00 177.03 3mlx s VAL 150 N -2.71 1.49 -0.04 -0.36 -7.23 -1.26 -4.53 120.40 105.76 3mlx s VAL 150 Ca 0.37 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.88 3mlx s VAL 150 Cb -0.02 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 3mlx s VAL 150 CO 0.22 -0.32 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.66 3mlx s THR 151 N -1.88 3.04 -0.06 5.32 2.01 0.62 -4.98 115.64 119.71 3mlx s THR 151 Ca 0.09 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.33 3mlx s THR 151 Cb -0.06 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.27 3mlx s THR 151 CO 0.04 0.57 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.80 3mlx s VAL 152 N -0.75 0.65 0.28 3.82 1.01 -1.26 -0.74 120.40 123.41 3mlx s VAL 152 Ca 0.12 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3mlx s VAL 152 Cb -0.11 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 3mlx s VAL 152 CO 0.01 0.27 0.01 -0.94 0.00 0.00 0.00 175.10 174.45 3mlx s SER 153 N 1.19 2.30 -0.02 3.32 1.04 -0.65 -4.96 113.70 115.92 3mlx s SER 153 Ca -0.06 -1.28 0.05 0.00 0.48 0.00 0.00 55.95 55.14 3mlx s SER 153 Cb -0.14 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 3mlx s SER 153 CO -0.01 -0.50 -0.18 0.26 0.98 0.00 0.00 173.24 173.78 3mlx s TRP 154 N -3.26 1.60 -1.52 5.02 0.52 -1.26 0.09 118.94 120.13 3mlx s TRP 154 Ca 0.32 -0.32 -0.08 0.00 0.02 0.00 0.00 56.10 56.04 3mlx s TRP 154 Cb 0.06 -1.03 0.06 0.00 -1.15 0.00 0.00 33.47 31.41 3mlx s TRP 154 CO 0.12 -0.04 0.64 0.09 0.02 0.00 0.00 176.95 177.78 3mlx n ASN 155 N 2.68 -2.01 -2.16 2.95 3.02 0.36 -0.93 115.26 119.17 3mlx n ASN 155 Ca -0.15 -0.96 -0.20 0.00 -0.03 0.00 0.00 54.58 53.23 3mlx n ASN 155 Cb 0.54 -3.14 -0.03 0.00 -0.61 0.00 0.00 39.78 36.54 3mlx n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mlx n SER 156 N -2.86 -5.75 0.00 6.41 7.64 -1.26 -2.01 113.62 115.79 3mlx n SER 156 Ca -0.13 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3mlx n SER 156 Cb 0.60 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 3mlx n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mlx n GLY 157 N -0.89 0.67 0.14 0.23 0.00 -0.11 -4.93 105.19 100.29 3mlx n GLY 157 Ca -0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 3mlx n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlx h ALA 158 N 0.00 0.95 -2.93 4.61 0.00 -1.27 -3.42 119.26 117.20 3mlx h ALA 158 Ca 0.00 -0.57 -0.66 0.00 0.00 0.00 0.00 54.91 53.68 3mlx h ALA 158 Cb 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 17.79 17.46 3mlx h ALA 158 CO 0.00 0.78 -0.60 -1.17 0.00 0.00 0.00 179.25 178.26 3mlx s LEU 159 N -7.54 3.74 0.00 0.00 2.96 -1.07 -4.92 118.68 111.85 3mlx s LEU 159 Ca -0.01 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3mlx s LEU 159 Cb 0.12 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.86 3mlx s LEU 159 CO 0.76 -0.11 0.00 0.35 -1.32 0.00 0.00 176.35 176.04 3mlx n THR 160 N 4.94 0.00 -2.36 3.68 -2.24 -1.26 -4.13 114.28 112.91 3mlx n THR 160 Ca -0.15 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 3mlx n THR 160 Cb 0.50 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 3mlx n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mlx s SER 161 N -2.43 7.07 0.00 3.42 1.04 -1.26 -2.87 113.70 118.67 3mlx s SER 161 Ca 0.00 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.68 3mlx s SER 161 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3mlx s SER 161 CO 0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3mlx n GLY 162 N 2.22 0.66 3.73 7.32 0.00 -1.26 -4.80 105.19 113.06 3mlx n GLY 162 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3mlx n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mlx s VAL 163 N -2.49 5.24 -0.18 1.61 1.01 -1.14 -0.47 120.40 123.98 3mlx s VAL 163 Ca 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 3mlx s VAL 163 Cb 0.00 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.71 3mlx s VAL 163 CO 0.00 0.37 0.04 -2.28 0.00 0.00 0.00 175.10 173.23 3mlx s HIS 164 N 0.48 0.89 -0.37 5.22 2.46 0.57 -4.99 115.29 119.54 3mlx s HIS 164 Ca 0.21 -0.74 -0.14 0.00 0.47 0.00 0.00 55.06 54.86 3mlx s HIS 164 Cb -0.14 -0.97 -0.00 0.00 -0.13 0.00 0.00 32.58 31.34 3mlx s HIS 164 CO 0.07 -0.58 0.27 0.99 -2.47 0.00 0.00 174.74 173.03 3mlx s THR 165 N 1.90 5.27 0.32 0.89 2.01 -1.26 -0.71 115.64 124.07 3mlx s THR 165 Ca -0.00 -0.38 -0.26 0.00 0.31 0.00 0.00 61.69 61.36 3mlx s THR 165 Cb -0.17 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 3mlx s THR 165 CO -0.08 -0.14 0.95 -0.36 -0.69 0.00 0.00 174.62 174.31 3mlx s PHE 166 N 1.73 3.67 0.55 4.92 0.40 -0.37 -5.00 117.98 123.87 3mlx s PHE 166 Ca 0.06 1.78 -0.20 0.00 -0.60 0.00 0.00 56.93 57.97 3mlx s PHE 166 Cb -0.18 -2.94 -0.07 0.00 0.51 0.00 0.00 43.02 40.34 3mlx s PHE 166 CO 0.10 0.16 0.94 -2.30 0.70 0.00 0.00 175.22 174.83 3mlx n PRO 167 N 0.55 1.02 -1.45 0.24 -0.02 -1.26 -4.21 135.00 129.87 3mlx n PRO 167 Ca 0.02 0.38 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 3mlx n PRO 167 Cb 0.50 -2.10 0.07 0.00 -0.02 0.00 0.00 33.50 31.95 3mlx n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mlx s ALA 168 N -1.47 2.50 0.05 3.55 0.00 -1.26 -4.76 121.76 120.38 3mlx s ALA 168 Ca 0.71 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.89 3mlx s ALA 168 Cb -0.46 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3mlx s ALA 168 CO 0.51 -1.44 -0.03 0.54 0.00 0.00 0.00 175.76 175.34 3mlx s VAL 169 N -2.96 3.89 -0.24 0.00 0.11 0.15 -4.92 120.40 116.43 3mlx s VAL 169 Ca 0.60 -0.87 -0.07 0.00 -2.93 0.00 0.00 61.98 58.70 3mlx s VAL 169 Cb -0.15 -2.78 -0.03 0.00 -1.53 0.00 0.00 36.38 31.88 3mlx s VAL 169 CO 0.55 0.25 0.06 -0.22 -3.33 0.00 0.00 175.10 172.41 3mlx s LEU 170 N -1.90 3.47 0.50 2.54 2.96 -1.26 -1.64 118.68 123.35 3mlx s LEU 170 Ca 0.22 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3mlx s LEU 170 Cb -0.11 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3mlx s LEU 170 CO 0.13 -0.00 0.80 -1.10 -1.32 0.00 0.00 176.35 174.85 3mlx s GLN 171 N 1.42 3.42 0.62 1.98 -1.52 -0.58 -4.96 119.66 120.04 3mlx s GLN 171 Ca 0.05 0.13 0.41 0.00 -1.95 0.00 0.00 55.36 54.00 3mlx s GLN 171 Cb -0.15 -2.37 2.16 0.00 -0.22 0.00 0.00 33.01 32.43 3mlx s GLN 171 CO 0.03 -0.28 2.25 0.66 -0.25 0.00 0.00 175.29 177.71 3mlx h SER 172 N 0.18 0.00 1.03 5.90 4.64 -1.99 0.12 113.55 123.42 3mlx h SER 172 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3mlx h SER 172 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3mlx h SER 172 CO 0.61 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.34 3mlx h SER 173 N 0.00 0.00 0.00 4.97 4.64 -2.03 -3.45 113.55 117.69 3mlx h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mlx h SER 173 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3mlx h SER 173 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3mlx n GLY 174 N 0.14 0.58 3.86 -0.77 0.00 0.42 -4.81 105.19 104.61 3mlx n GLY 174 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3mlx n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlx s LEU 175 N 0.00 4.12 0.31 0.99 1.43 -1.26 -4.85 118.68 119.44 3mlx s LEU 175 Ca 0.00 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3mlx s LEU 175 Cb 0.00 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3mlx s LEU 175 CO 0.00 0.18 0.48 -0.31 0.23 0.00 0.00 176.35 176.94 3mlx s TYR 176 N -1.43 3.45 -0.11 0.29 1.51 0.06 -1.53 117.35 119.59 3mlx s TYR 176 Ca 0.32 0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 56.45 3mlx s TYR 176 Cb -0.13 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 3mlx s TYR 176 CO 0.24 0.21 0.31 -1.12 -1.11 0.00 0.00 175.55 174.07 3mlx s SER 177 N -4.03 -0.31 0.19 2.29 0.01 -0.65 -1.33 113.70 109.87 3mlx s SER 177 Ca 0.38 0.59 -0.05 0.00 1.31 0.00 0.00 55.95 58.18 3mlx s SER 177 Cb -0.09 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.72 3mlx s SER 177 CO 0.33 -0.12 0.24 -1.48 0.41 0.00 0.00 173.24 172.62 3mlx s LEU 178 N 0.09 1.00 0.02 2.44 0.05 -0.21 0.34 118.68 122.41 3mlx s LEU 178 Ca -0.01 -1.15 0.03 0.00 0.05 0.00 0.00 54.13 53.06 3mlx s LEU 178 Cb -0.02 0.87 -0.02 0.00 -2.05 0.00 0.00 46.19 44.97 3mlx s LEU 178 CO 0.01 -0.91 -0.09 -0.44 -0.55 0.00 0.00 176.35 174.36 3mlx s SER 179 N -3.07 1.10 -0.12 1.48 0.01 -1.26 -0.30 113.70 111.54 3mlx s SER 179 Ca 0.28 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.23 3mlx s SER 179 Cb 0.04 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.22 3mlx s SER 179 CO 0.07 -0.01 -0.23 -0.55 0.41 0.00 0.00 173.24 172.94 3mlx s SER 180 N -0.84 3.09 -0.04 2.44 0.15 -0.59 -1.24 113.70 116.66 3mlx s SER 180 Ca -0.01 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.11 3mlx s SER 180 Cb -0.06 -1.42 -0.01 0.00 -1.71 0.00 0.00 66.02 62.82 3mlx s SER 180 CO 0.00 0.11 -0.19 -0.69 1.20 0.00 0.00 173.24 173.68 3mlx s VAL 181 N 0.62 1.54 -0.13 4.45 1.01 0.11 -1.03 120.40 126.97 3mlx s VAL 181 Ca -0.12 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3mlx s VAL 181 Cb -0.17 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3mlx s VAL 181 CO 0.03 0.44 -0.08 -0.69 0.00 0.00 0.00 175.10 174.79 3mlx s VAL 182 N -0.10 3.52 -0.27 2.92 1.01 0.91 -0.31 120.40 128.08 3mlx s VAL 182 Ca -0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 3mlx s VAL 182 Cb -0.11 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3mlx s VAL 182 CO 0.02 0.52 0.13 -0.89 0.00 0.00 0.00 175.10 174.89 3mlx s THR 183 N 0.14 4.82 0.04 3.92 2.01 0.38 -1.85 115.64 125.10 3mlx s THR 183 Ca -0.04 -0.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 3mlx s THR 183 Cb -0.14 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 3mlx s THR 183 CO 0.04 0.28 0.01 0.68 -0.69 0.00 0.00 174.62 174.94 3mlx s VAL 184 N 1.69 0.16 0.57 3.82 -7.23 0.03 -4.61 120.40 114.84 3mlx s VAL 184 Ca 0.07 -1.34 -0.21 0.00 -1.81 0.00 0.00 61.98 58.69 3mlx s VAL 184 Cb -0.16 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3mlx s VAL 184 CO 0.07 -0.74 1.27 -2.65 -0.31 0.00 0.00 175.10 172.74 3mlx n PRO 185 N 0.71 1.42 -0.30 4.82 -0.02 -1.26 0.56 135.00 140.93 3mlx n PRO 185 Ca -0.18 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3mlx n PRO 185 Cb 0.59 -2.48 0.19 0.00 -0.02 0.00 0.00 33.50 31.78 3mlx n PRO 185 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3mlx h SER 186 N 1.09 0.99 -0.34 2.55 0.02 0.17 -3.06 113.55 114.97 3mlx h SER 186 Ca -0.50 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.49 3mlx h SER 186 Cb 1.32 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 3mlx h SER 186 CO 0.55 0.70 -0.03 0.77 -1.14 0.00 0.00 176.83 177.69 3mlx h SER 187 N 1.16 -0.19 -0.94 3.07 4.64 -1.88 -2.59 113.55 116.82 3mlx h SER 187 Ca 0.34 0.09 0.24 0.00 -0.47 0.00 0.00 61.79 61.98 3mlx h SER 187 Cb -0.07 0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.12 3mlx h SER 187 CO -0.09 -0.06 0.63 0.77 -0.87 0.00 0.00 176.83 177.22 3mlx h SER 188 N 0.07 0.29 -0.89 4.97 4.64 -1.91 -2.24 113.55 118.47 3mlx h SER 188 Ca 0.17 0.04 0.26 0.00 -0.47 0.00 0.00 61.79 61.78 3mlx h SER 188 Cb 0.24 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 3mlx h SER 188 CO -0.30 0.10 1.00 -0.07 -0.87 0.00 0.00 176.83 176.68 3mlx h LEU 189 N 0.28 0.00 0.00 5.97 3.38 -1.59 0.26 115.31 123.61 3mlx h LEU 189 Ca 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 3mlx h LEU 189 Cb 1.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 3mlx h LEU 189 CO -0.15 0.00 -1.80 0.61 0.09 0.00 0.00 178.44 177.19 3mlx n GLY 190 N -1.66 -0.79 0.53 0.83 0.00 -0.84 -4.53 105.19 98.73 3mlx n GLY 190 Ca 0.19 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.91 3mlx n GLY 190 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3mlx n THR 191 N -2.12 0.00 -3.84 2.61 5.66 0.70 -4.99 114.28 112.30 3mlx n THR 191 Ca -0.04 -0.33 -0.11 0.00 -3.05 0.00 0.00 64.05 60.52 3mlx n THR 191 Cb 0.47 1.28 -0.09 0.00 -1.55 0.00 0.00 70.33 70.44 3mlx n THR 191 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3mlx s GLN 192 N -2.17 0.66 0.23 1.09 0.74 0.01 -5.07 119.66 115.14 3mlx s GLN 192 Ca 0.18 -0.57 0.07 0.00 0.05 0.00 0.00 55.36 55.09 3mlx s GLN 192 Cb 0.17 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.51 3mlx s GLN 192 CO 0.46 -0.19 0.14 0.95 -0.55 0.00 0.00 175.29 176.10 3mlx s THR 193 N -2.32 4.25 -0.10 -0.34 -4.23 -1.26 -4.63 115.64 107.01 3mlx s THR 193 Ca -0.07 -1.41 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3mlx s THR 193 Cb -0.02 -3.25 0.03 0.00 1.34 0.00 0.00 72.50 70.59 3mlx s THR 193 CO -0.03 -0.28 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.41 3mlx s TYR 194 N -2.04 1.24 -0.09 3.99 1.51 -1.26 -4.95 117.35 115.76 3mlx s TYR 194 Ca 0.32 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 3mlx s TYR 194 Cb -0.08 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.69 3mlx s TYR 194 CO 0.23 -0.45 -0.09 0.42 -1.11 0.00 0.00 175.55 174.55 3mlx s ILE 195 N 1.73 1.03 0.03 2.71 1.01 -1.26 -0.06 121.20 126.39 3mlx s ILE 195 Ca 0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 3mlx s ILE 195 Cb -0.13 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 3mlx s ILE 195 CO -0.07 0.35 0.47 0.00 0.00 0.00 0.00 174.94 175.69 3mlx s ASN 197 N -1.07 5.21 -0.19 0.00 0.01 0.11 -1.26 114.94 117.75 3mlx s ASN 197 Ca 0.26 -1.45 -0.09 0.00 -0.71 0.00 0.00 52.86 50.87 3mlx s ASN 197 Cb -0.18 -1.83 -0.05 0.00 0.41 0.00 0.00 41.25 39.61 3mlx s ASN 197 CO 0.15 -0.39 0.12 -0.69 -1.51 0.00 0.00 177.10 174.79 3mlx s VAL 198 N 1.30 5.31 -0.11 1.60 1.01 0.15 -1.63 120.40 128.02 3mlx s VAL 198 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3mlx s VAL 198 Cb -0.21 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.78 3mlx s VAL 198 CO -0.00 0.45 -0.12 0.21 0.00 0.00 0.00 175.10 175.64 3mlx s ASN 199 N 0.28 2.30 -0.80 3.32 3.84 0.08 -0.22 114.94 123.74 3mlx s ASN 199 Ca 0.08 -0.38 0.02 0.00 0.21 0.00 0.00 52.86 52.79 3mlx s ASN 199 Cb -0.11 -0.98 0.19 0.00 -0.55 0.00 0.00 41.25 39.80 3mlx s ASN 199 CO -0.01 -0.04 0.63 -2.28 -2.79 0.00 0.00 177.10 172.61 3mlx s HIS 200 N 1.29 3.74 0.27 0.43 5.65 0.66 -0.28 115.29 127.06 3mlx s HIS 200 Ca -0.01 -3.21 -0.03 0.00 0.25 0.00 0.00 55.06 52.06 3mlx s HIS 200 Cb -0.14 -2.96 0.57 0.00 -1.18 0.00 0.00 32.58 28.88 3mlx s HIS 200 CO -0.05 -0.63 1.63 0.87 -0.65 0.00 0.00 174.74 175.91 3mlx h LYS 201 N 5.66 0.13 -0.22 2.88 1.57 -1.79 -0.48 116.57 124.31 3mlx h LYS 201 Ca 0.15 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3mlx h LYS 201 Cb 0.78 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3mlx h LYS 201 CO 0.79 0.08 0.25 -1.00 -0.57 0.00 0.00 179.45 179.00 3mlx h PRO 202 N 0.13 0.00 -0.13 3.15 0.13 -1.92 0.31 132.00 133.68 3mlx h PRO 202 Ca 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.62 3mlx h PRO 202 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3mlx h PRO 202 CO -0.70 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 175.94 3mlx n SER 203 N -3.76 2.19 -3.85 1.44 3.41 -0.43 -4.98 113.62 107.64 3mlx n SER 203 Ca 0.03 -1.64 -0.27 0.00 -0.26 0.00 0.00 58.87 56.73 3mlx n SER 203 Cb 0.39 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 3mlx n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mlx n ASN 204 N 0.45 -2.98 -4.62 4.04 5.15 0.10 -4.91 115.26 112.50 3mlx n ASN 204 Ca 0.07 -0.82 -0.34 0.00 -0.60 0.00 0.00 54.58 52.89 3mlx n ASN 204 Cb 0.30 -3.83 -0.10 0.00 -0.53 0.00 0.00 39.78 35.61 3mlx n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3mlx s THR 205 N -3.50 4.07 -0.06 -0.44 2.01 -0.93 -4.98 115.64 111.81 3mlx s THR 205 Ca 0.36 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 3mlx s THR 205 Cb -0.18 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.64 3mlx s THR 205 CO 0.83 0.58 -0.03 -0.54 -0.69 0.00 0.00 174.62 174.77 3mlx s LYS 206 N -0.58 0.85 -0.02 4.92 1.02 -1.26 -0.24 119.74 124.42 3mlx s LYS 206 Ca 0.09 -0.05 0.01 0.00 0.02 0.00 0.00 55.97 56.05 3mlx s LYS 206 Cb -0.12 -1.00 0.01 0.00 -0.52 0.00 0.00 37.83 36.21 3mlx s LYS 206 CO 0.02 -0.19 -0.04 0.08 -0.92 0.00 0.00 175.35 174.31 3mlx s VAL 207 N 1.41 0.40 -0.09 3.17 1.01 0.70 -4.99 120.40 122.02 3mlx s VAL 207 Ca -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3mlx s VAL 207 Cb -0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3mlx s VAL 207 CO -0.03 0.16 -0.11 -1.81 0.00 0.00 0.00 175.10 173.31 3mlx s ASP 208 N 0.49 4.25 -0.08 3.32 1.01 -1.26 0.34 116.67 124.75 3mlx s ASP 208 Ca -0.06 -0.18 -0.01 0.00 0.71 0.00 0.00 52.55 53.01 3mlx s ASP 208 Cb -0.09 -1.22 0.03 0.00 1.01 0.00 0.00 42.92 42.65 3mlx s ASP 208 CO -0.00 0.29 0.00 -0.75 0.21 0.00 0.00 175.17 174.91 3mlx s LYS 209 N -0.36 0.64 0.17 8.23 2.47 -0.39 -4.97 119.74 125.54 3mlx s LYS 209 Ca 0.04 0.07 -0.30 0.00 -1.56 0.00 0.00 55.97 54.22 3mlx s LYS 209 Cb -0.12 -1.05 -0.07 0.00 -1.46 0.00 0.00 37.83 35.12 3mlx s LYS 209 CO 0.02 -0.32 0.97 0.21 0.16 0.00 0.00 175.35 176.40 3mlx s LYS 210 N 1.96 4.75 -0.21 4.03 2.20 -1.26 -1.36 119.74 129.84 3mlx s LYS 210 Ca 0.05 1.51 0.01 0.00 -0.36 0.00 0.00 55.97 57.18 3mlx s LYS 210 Cb -0.12 -3.32 0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3mlx s LYS 210 CO -0.05 0.32 -0.16 0.08 -0.36 0.00 0.00 175.35 175.18 3mlx s VAL 211 N -0.53 2.18 0.03 4.02 1.01 0.92 -4.83 120.40 123.20 3mlx s VAL 211 Ca 0.45 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 3mlx s VAL 211 Cb -0.25 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 3mlx s VAL 211 CO 0.32 0.34 0.15 -1.83 0.00 0.00 0.00 175.10 174.07 3mlx s GLU 212 N 1.24 0.60 0.51 2.72 -1.05 -1.26 -4.25 118.70 117.21 3mlx s GLU 212 Ca 0.00 -0.61 -0.22 0.00 -0.15 0.00 0.00 54.97 54.00 3mlx s GLU 212 Cb -0.15 0.25 -0.07 0.00 -0.44 0.00 0.00 34.13 33.71 3mlx s GLU 212 CO -0.10 -0.16 1.11 -0.35 0.95 0.00 0.00 175.26 176.71 3mlx n PRO 213 N 0.91 1.37 0.00 -4.83 -0.04 -1.26 -4.75 135.00 126.40 3mlx n PRO 213 Ca -0.20 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 3mlx n PRO 213 Cb 0.58 -2.26 0.28 0.00 -0.04 0.00 0.00 33.50 32.06 3mlx n PRO 213 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09